USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 249 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 SER OG : rot 12:sc= 1.66 USER MOD Set 1.2: A 94 THR OG1 : rot 120:sc= 1.31 USER MOD Set 2.1: A 53 TYR OH : rot 149:sc= 1.8 USER MOD Set 2.2: A 69 ASN : amide:sc= 0.554 K(o=2.3,f=-6.6!) USER MOD Set 3.1: A 47 THR OG1 : rot -45:sc= 1.69 USER MOD Set 3.2: A 51 SER OG : rot -70:sc= -0.233 USER MOD Set 4.1: A 18 SER OG : rot 155:sc= 0.55 USER MOD Set 4.2: A 60 THR OG1 : rot 180:sc= 0.507 USER MOD Set 5.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 5 GLN : amide:sc= 0 X(o=0,f=0.26) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -170:sc= -0.642 (180deg=-0.829) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0932 X(o=-0.093,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0285) USER MOD Single : A 22 TYR OH : rot 170:sc= 0.756 USER MOD Single : A 23 TYR OH : rot -9:sc= -2.65! USER MOD Single : A 25 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.0046) USER MOD Single : A 32 HIS : no HD1:sc= 0.197 K(o=0.2,f=-0.89) USER MOD Single : A 34 GLN : amide:sc= -0.114 K(o=-0.11,f=-1.1) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot -56:sc= 0.229 USER MOD Single : A 42 LYS NZ :NH3+ -158:sc= 1.45 (180deg=1.3) USER MOD Single : A 46 SER OG : rot -47:sc= 0.112 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 139:sc= 1.07 (180deg=0.522) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 62 HIS : no HD1:sc= -0.0715 K(o=-0.072,f=-0.59) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0289) USER MOD Single : A 64 GLN : amide:sc= -2.02! K(o=-2!,f=-1.3) USER MOD Single : A 66 THR OG1 : rot -170:sc= 1.96 USER MOD Single : A 68 TYR OH : rot 180:sc= -0.0345 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= -1.37! K(o=-1.4!,f=-0.19) USER MOD Single : A 73 SER OG : rot 180:sc= 0.219 USER MOD Single : A 83 ASN : amide:sc= -3.34! C(o=-3.3!,f=-4.4!) USER MOD Single : A 85 ASN : amide:sc= -3.85! K(o=-3.9!,f=-0.62) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -1.92 K(o=-1.9,f=-6.9!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -77:sc= -0.62! USER MOD Single : A 103 MET CE :methyl -172:sc= -0.0805 (180deg=-0.116) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00596) USER MOD Single : A 108 HIS : no HE2:sc= -0.0545 K(o=-0.055,f=-2.8!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.436 -19.934 -4.818 1.00 0.00 N ATOM 2 CA GLY A 1 0.454 -18.532 -4.336 1.00 0.00 C ATOM 3 C GLY A 1 -0.276 -17.526 -5.249 1.00 0.00 C ATOM 4 O GLY A 1 -1.495 -17.385 -5.185 1.00 0.00 O ATOM 0 H1 GLY A 1 0.948 -20.539 -4.145 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.548 -20.261 -4.898 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.895 -19.987 -5.750 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.001 -18.497 -3.345 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.491 -18.214 -4.224 1.00 0.00 H new ATOM 8 N SER A 2 0.517 -16.948 -6.159 1.00 0.00 N ATOM 9 CA SER A 2 0.123 -15.964 -7.199 1.00 0.00 C ATOM 10 C SER A 2 -0.361 -14.624 -6.618 1.00 0.00 C ATOM 11 O SER A 2 -1.463 -14.511 -6.087 1.00 0.00 O ATOM 12 CB SER A 2 -0.927 -16.564 -8.145 1.00 0.00 C ATOM 13 OG SER A 2 -0.863 -15.958 -9.438 1.00 0.00 O ATOM 0 H SER A 2 1.514 -17.161 -6.199 1.00 0.00 H new ATOM 0 HA SER A 2 1.025 -15.739 -7.768 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.767 -17.638 -8.236 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.922 -16.424 -7.724 1.00 0.00 H new ATOM 0 HG SER A 2 -1.541 -16.359 -10.021 1.00 0.00 H new ATOM 16 N MET A 3 0.589 -13.688 -6.542 1.00 0.00 N ATOM 17 CA MET A 3 0.379 -12.342 -5.959 1.00 0.00 C ATOM 18 C MET A 3 0.688 -11.168 -6.905 1.00 0.00 C ATOM 19 O MET A 3 -0.103 -10.231 -7.009 1.00 0.00 O ATOM 20 CB MET A 3 1.169 -12.146 -4.654 1.00 0.00 C ATOM 21 CG MET A 3 0.641 -12.961 -3.470 1.00 0.00 C ATOM 22 SD MET A 3 1.059 -14.742 -3.536 1.00 0.00 S ATOM 23 CE MET A 3 0.134 -15.315 -2.128 1.00 0.00 C ATOM 0 H MET A 3 1.538 -13.836 -6.884 1.00 0.00 H new ATOM 0 HA MET A 3 -0.692 -12.319 -5.759 1.00 0.00 H new ATOM 0 HB2 MET A 3 2.211 -12.415 -4.830 1.00 0.00 H new ATOM 0 HB3 MET A 3 1.153 -11.089 -4.388 1.00 0.00 H new ATOM 0 HG2 MET A 3 1.040 -12.540 -2.547 1.00 0.00 H new ATOM 0 HG3 MET A 3 -0.443 -12.855 -3.426 1.00 0.00 H new ATOM 0 HE1 MET A 3 0.273 -16.390 -2.015 1.00 0.00 H new ATOM 0 HE2 MET A 3 0.486 -14.807 -1.230 1.00 0.00 H new ATOM 0 HE3 MET A 3 -0.924 -15.099 -2.276 1.00 0.00 H new ATOM 25 N GLU A 4 1.922 -11.133 -7.419 1.00 0.00 N ATOM 26 CA GLU A 4 2.371 -10.152 -8.436 1.00 0.00 C ATOM 27 C GLU A 4 1.632 -10.288 -9.783 1.00 0.00 C ATOM 28 O GLU A 4 2.118 -10.874 -10.752 1.00 0.00 O ATOM 29 CB GLU A 4 3.901 -10.199 -8.607 1.00 0.00 C ATOM 30 CG GLU A 4 4.456 -11.590 -8.953 1.00 0.00 C ATOM 31 CD GLU A 4 5.883 -11.547 -9.511 1.00 0.00 C ATOM 32 OE1 GLU A 4 6.107 -10.802 -10.490 1.00 0.00 O ATOM 33 OE2 GLU A 4 6.703 -12.330 -8.985 1.00 0.00 O ATOM 0 H GLU A 4 2.652 -11.789 -7.143 1.00 0.00 H new ATOM 0 HA GLU A 4 2.104 -9.165 -8.059 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.189 -9.500 -9.392 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.369 -9.853 -7.685 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.441 -12.213 -8.059 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.801 -12.064 -9.684 1.00 0.00 H new ATOM 35 N GLN A 5 0.375 -9.855 -9.733 1.00 0.00 N ATOM 36 CA GLN A 5 -0.604 -9.929 -10.835 1.00 0.00 C ATOM 37 C GLN A 5 -1.843 -9.066 -10.547 1.00 0.00 C ATOM 38 O GLN A 5 -2.766 -9.454 -9.839 1.00 0.00 O ATOM 39 CB GLN A 5 -0.970 -11.388 -11.184 1.00 0.00 C ATOM 40 CG GLN A 5 -1.181 -12.313 -9.973 1.00 0.00 C ATOM 41 CD GLN A 5 -2.645 -12.704 -9.768 1.00 0.00 C ATOM 42 OE1 GLN A 5 -3.399 -12.119 -9.008 1.00 0.00 O ATOM 43 NE2 GLN A 5 -3.025 -13.818 -10.347 1.00 0.00 N ATOM 0 H GLN A 5 -0.013 -9.424 -8.894 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.128 -9.511 -11.722 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.881 -11.385 -11.783 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.180 -11.806 -11.808 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.584 -13.216 -10.104 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.814 -11.816 -9.075 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.392 -14.304 -10.982 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.953 -14.198 -10.162 1.00 0.00 H new ATOM 47 N PHE A 6 -1.683 -7.800 -10.923 1.00 0.00 N ATOM 48 CA PHE A 6 -2.690 -6.718 -10.881 1.00 0.00 C ATOM 49 C PHE A 6 -3.061 -6.310 -9.444 1.00 0.00 C ATOM 50 O PHE A 6 -4.137 -6.594 -8.915 1.00 0.00 O ATOM 51 CB PHE A 6 -3.917 -7.119 -11.714 1.00 0.00 C ATOM 52 CG PHE A 6 -4.499 -5.998 -12.579 1.00 0.00 C ATOM 53 CD1 PHE A 6 -4.796 -4.742 -12.057 1.00 0.00 C ATOM 54 CD2 PHE A 6 -4.940 -6.330 -13.853 1.00 0.00 C ATOM 55 CE1 PHE A 6 -5.556 -3.844 -12.797 1.00 0.00 C ATOM 56 CE2 PHE A 6 -5.696 -5.430 -14.594 1.00 0.00 C ATOM 57 CZ PHE A 6 -6.011 -4.188 -14.061 1.00 0.00 C ATOM 0 H PHE A 6 -0.791 -7.470 -11.291 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.250 -5.826 -11.326 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -3.643 -7.953 -12.360 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.694 -7.480 -11.040 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -4.436 -4.465 -11.077 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -4.694 -7.295 -14.271 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -5.793 -2.874 -12.386 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -6.038 -5.697 -15.583 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.609 -3.491 -14.629 1.00 0.00 H new ATOM 64 N GLU A 7 -2.209 -5.446 -8.899 1.00 0.00 N ATOM 65 CA GLU A 7 -2.352 -4.950 -7.519 1.00 0.00 C ATOM 66 C GLU A 7 -3.011 -3.564 -7.475 1.00 0.00 C ATOM 67 O GLU A 7 -2.363 -2.536 -7.677 1.00 0.00 O ATOM 68 CB GLU A 7 -0.990 -4.962 -6.814 1.00 0.00 C ATOM 69 CG GLU A 7 -0.564 -6.374 -6.387 1.00 0.00 C ATOM 70 CD GLU A 7 0.709 -6.411 -5.528 1.00 0.00 C ATOM 71 OE1 GLU A 7 0.922 -5.463 -4.736 1.00 0.00 O ATOM 72 OE2 GLU A 7 1.439 -7.416 -5.648 1.00 0.00 O ATOM 0 H GLU A 7 -1.401 -5.067 -9.393 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.020 -5.621 -6.980 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.235 -4.544 -7.480 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.033 -4.317 -5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -1.379 -6.835 -5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -0.405 -6.980 -7.279 1.00 0.00 H new ATOM 74 N LEU A 8 -4.333 -3.596 -7.324 1.00 0.00 N ATOM 75 CA LEU A 8 -5.181 -2.387 -7.228 1.00 0.00 C ATOM 76 C LEU A 8 -5.464 -2.055 -5.760 1.00 0.00 C ATOM 77 O LEU A 8 -5.976 -2.887 -5.007 1.00 0.00 O ATOM 78 CB LEU A 8 -6.558 -2.554 -7.887 1.00 0.00 C ATOM 79 CG LEU A 8 -6.572 -3.112 -9.311 1.00 0.00 C ATOM 80 CD1 LEU A 8 -6.852 -4.617 -9.278 1.00 0.00 C ATOM 81 CD2 LEU A 8 -7.631 -2.381 -10.137 1.00 0.00 C ATOM 0 H LEU A 8 -4.861 -4.466 -7.263 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.620 -1.605 -7.740 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.160 -3.210 -7.258 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.051 -1.582 -7.897 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.598 -2.955 -9.775 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.861 -5.008 -10.295 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.074 -5.119 -8.703 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.821 -4.797 -8.812 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.640 -2.779 -11.152 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.611 -2.525 -9.682 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.398 -1.317 -10.167 1.00 0.00 H new ATOM 83 N PHE A 9 -5.072 -0.849 -5.360 1.00 0.00 N ATOM 84 CA PHE A 9 -5.319 -0.367 -3.988 1.00 0.00 C ATOM 85 C PHE A 9 -5.840 1.079 -3.952 1.00 0.00 C ATOM 86 O PHE A 9 -5.419 1.927 -4.737 1.00 0.00 O ATOM 87 CB PHE A 9 -4.047 -0.555 -3.148 1.00 0.00 C ATOM 88 CG PHE A 9 -3.533 -2.003 -3.172 1.00 0.00 C ATOM 89 CD1 PHE A 9 -4.117 -2.987 -2.382 1.00 0.00 C ATOM 90 CD2 PHE A 9 -2.364 -2.296 -3.861 1.00 0.00 C ATOM 91 CE1 PHE A 9 -3.495 -4.219 -2.202 1.00 0.00 C ATOM 92 CE2 PHE A 9 -1.759 -3.535 -3.692 1.00 0.00 C ATOM 93 CZ PHE A 9 -2.300 -4.487 -2.846 1.00 0.00 C ATOM 0 H PHE A 9 -4.583 -0.183 -5.958 1.00 0.00 H new ATOM 0 HA PHE A 9 -6.118 -0.965 -3.550 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.268 0.110 -3.521 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.249 -0.262 -2.118 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.065 -2.793 -1.902 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.927 -1.565 -4.525 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.944 -4.964 -1.561 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.850 -3.759 -4.231 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.795 -5.429 -2.690 1.00 0.00 H new ATOM 100 N SER A 10 -6.761 1.341 -3.022 1.00 0.00 N ATOM 101 CA SER A 10 -7.443 2.653 -2.903 1.00 0.00 C ATOM 102 C SER A 10 -7.544 3.134 -1.450 1.00 0.00 C ATOM 103 O SER A 10 -8.202 2.483 -0.634 1.00 0.00 O ATOM 104 CB SER A 10 -8.874 2.578 -3.459 1.00 0.00 C ATOM 105 OG SER A 10 -8.883 2.027 -4.778 1.00 0.00 O ATOM 0 H SER A 10 -7.062 0.658 -2.327 1.00 0.00 H new ATOM 0 HA SER A 10 -6.835 3.354 -3.475 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.492 1.967 -2.801 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.315 3.575 -3.474 1.00 0.00 H new ATOM 0 HG SER A 10 -9.804 1.988 -5.110 1.00 0.00 H new ATOM 108 N ILE A 11 -6.910 4.268 -1.141 1.00 0.00 N ATOM 109 CA ILE A 11 -6.978 4.857 0.217 1.00 0.00 C ATOM 110 C ILE A 11 -8.343 5.504 0.529 1.00 0.00 C ATOM 111 O ILE A 11 -9.015 6.039 -0.350 1.00 0.00 O ATOM 112 CB ILE A 11 -5.782 5.799 0.498 1.00 0.00 C ATOM 113 CG1 ILE A 11 -5.419 5.710 1.990 1.00 0.00 C ATOM 114 CG2 ILE A 11 -6.027 7.255 0.065 1.00 0.00 C ATOM 115 CD1 ILE A 11 -4.063 6.322 2.364 1.00 0.00 C ATOM 0 H ILE A 11 -6.345 4.801 -1.802 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.890 4.027 0.918 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.944 5.462 -0.113 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.197 6.208 2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.422 4.661 2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.146 7.856 0.293 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.221 7.288 -1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.887 7.654 0.602 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.897 6.211 3.435 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.270 5.810 1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.057 7.381 2.104 1.00 0.00 H new ATOM 117 N ASP A 12 -8.673 5.509 1.818 1.00 0.00 N ATOM 118 CA ASP A 12 -9.825 6.249 2.370 1.00 0.00 C ATOM 119 C ASP A 12 -9.800 7.781 2.247 1.00 0.00 C ATOM 120 O ASP A 12 -10.863 8.384 2.135 1.00 0.00 O ATOM 121 CB ASP A 12 -10.025 5.877 3.841 1.00 0.00 C ATOM 122 CG ASP A 12 -11.364 5.169 4.056 1.00 0.00 C ATOM 123 OD1 ASP A 12 -12.350 5.888 4.315 1.00 0.00 O ATOM 124 OD2 ASP A 12 -11.354 3.920 4.030 1.00 0.00 O ATOM 0 H ASP A 12 -8.147 4.995 2.525 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.655 5.934 1.738 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.212 5.230 4.169 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.984 6.777 4.455 1.00 0.00 H new ATOM 126 N LYS A 13 -8.604 8.383 2.302 1.00 0.00 N ATOM 127 CA LYS A 13 -8.400 9.850 2.414 1.00 0.00 C ATOM 128 C LYS A 13 -9.179 10.425 3.623 1.00 0.00 C ATOM 129 O LYS A 13 -9.889 11.426 3.553 1.00 0.00 O ATOM 130 CB LYS A 13 -8.801 10.523 1.090 1.00 0.00 C ATOM 131 CG LYS A 13 -8.391 11.995 0.940 1.00 0.00 C ATOM 132 CD LYS A 13 -6.990 12.190 0.346 1.00 0.00 C ATOM 133 CE LYS A 13 -6.905 11.753 -1.121 1.00 0.00 C ATOM 134 NZ LYS A 13 -7.792 12.512 -2.017 1.00 0.00 N ATOM 0 H LYS A 13 -7.728 7.861 2.270 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.346 10.059 2.596 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.362 9.957 0.269 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.883 10.454 0.982 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.118 12.502 0.306 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.431 12.475 1.918 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.709 13.240 0.425 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.268 11.622 0.933 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.876 11.863 -1.464 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.153 10.694 -1.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.811 12.058 -2.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.753 12.529 -1.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.439 13.486 -2.112 1.00 0.00 H new ATOM 139 N PHE A 14 -8.984 9.760 4.759 1.00 0.00 N ATOM 140 CA PHE A 14 -9.784 10.011 5.971 1.00 0.00 C ATOM 141 C PHE A 14 -8.875 10.398 7.150 1.00 0.00 C ATOM 142 O PHE A 14 -8.696 11.576 7.440 1.00 0.00 O ATOM 143 CB PHE A 14 -10.636 8.767 6.253 1.00 0.00 C ATOM 144 CG PHE A 14 -12.090 9.126 6.545 1.00 0.00 C ATOM 145 CD1 PHE A 14 -12.438 9.820 7.699 1.00 0.00 C ATOM 146 CD2 PHE A 14 -13.071 8.733 5.644 1.00 0.00 C ATOM 147 CE1 PHE A 14 -13.772 10.113 7.952 1.00 0.00 C ATOM 148 CE2 PHE A 14 -14.406 9.010 5.907 1.00 0.00 C ATOM 149 CZ PHE A 14 -14.756 9.701 7.060 1.00 0.00 C ATOM 0 H PHE A 14 -8.275 9.036 4.873 1.00 0.00 H new ATOM 0 HA PHE A 14 -10.455 10.857 5.823 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.593 8.096 5.395 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.218 8.226 7.102 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.674 10.130 8.396 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -12.796 8.212 4.739 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -14.045 10.661 8.842 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -15.171 8.689 5.216 1.00 0.00 H new ATOM 0 HZ PHE A 14 -15.794 9.919 7.264 1.00 0.00 H new ATOM 156 N LYS A 15 -8.387 9.385 7.867 1.00 0.00 N ATOM 157 CA LYS A 15 -7.350 9.545 8.906 1.00 0.00 C ATOM 158 C LYS A 15 -5.960 9.695 8.242 1.00 0.00 C ATOM 159 O LYS A 15 -5.895 10.152 7.100 1.00 0.00 O ATOM 160 CB LYS A 15 -7.461 8.394 9.925 1.00 0.00 C ATOM 161 CG LYS A 15 -8.895 8.235 10.452 1.00 0.00 C ATOM 162 CD LYS A 15 -9.004 7.474 11.774 1.00 0.00 C ATOM 163 CE LYS A 15 -8.778 8.415 12.961 1.00 0.00 C ATOM 164 NZ LYS A 15 -9.113 7.754 14.228 1.00 0.00 N ATOM 0 H LYS A 15 -8.698 8.421 7.748 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.500 10.462 9.476 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.140 7.463 9.458 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.786 8.581 10.760 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.333 9.225 10.580 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.490 7.718 9.699 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.988 7.011 11.853 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.270 6.669 11.797 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.737 8.739 12.980 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.388 9.310 12.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.951 8.413 15.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.113 7.467 14.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.513 6.913 14.350 1.00 0.00 H new ATOM 169 N CYS A 16 -4.908 9.149 8.862 1.00 0.00 N ATOM 170 CA CYS A 16 -3.486 9.303 8.459 1.00 0.00 C ATOM 171 C CYS A 16 -2.928 10.703 8.765 1.00 0.00 C ATOM 172 O CYS A 16 -3.674 11.619 9.099 1.00 0.00 O ATOM 173 CB CYS A 16 -3.233 8.947 6.984 1.00 0.00 C ATOM 174 SG CYS A 16 -3.209 7.161 6.586 1.00 0.00 S ATOM 0 H CYS A 16 -5.016 8.564 9.690 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.947 8.581 9.072 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.003 9.424 6.378 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.278 9.379 6.685 1.00 0.00 H new ATOM 176 N ASN A 17 -1.609 10.724 8.957 1.00 0.00 N ATOM 177 CA ASN A 17 -0.834 11.928 9.325 1.00 0.00 C ATOM 178 C ASN A 17 0.554 11.950 8.657 1.00 0.00 C ATOM 179 O ASN A 17 0.714 12.507 7.575 1.00 0.00 O ATOM 180 CB ASN A 17 -0.741 12.038 10.856 1.00 0.00 C ATOM 181 CG ASN A 17 -1.681 13.092 11.447 1.00 0.00 C ATOM 182 OD1 ASN A 17 -1.295 14.216 11.727 1.00 0.00 O ATOM 183 ND2 ASN A 17 -2.942 12.764 11.601 1.00 0.00 N ATOM 0 H ASN A 17 -1.029 9.890 8.861 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.360 12.805 8.948 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.971 11.068 11.297 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.285 12.280 11.134 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.608 13.450 11.957 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.257 11.823 11.365 1.00 0.00 H new ATOM 187 N SER A 18 1.505 11.221 9.249 1.00 0.00 N ATOM 188 CA SER A 18 2.895 11.101 8.755 1.00 0.00 C ATOM 189 C SER A 18 3.001 10.654 7.285 1.00 0.00 C ATOM 190 O SER A 18 3.750 11.258 6.521 1.00 0.00 O ATOM 191 CB SER A 18 3.670 10.207 9.730 1.00 0.00 C ATOM 192 OG SER A 18 4.925 9.727 9.240 1.00 0.00 O ATOM 0 H SER A 18 1.335 10.685 10.100 1.00 0.00 H new ATOM 0 HA SER A 18 3.351 12.091 8.736 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.845 10.764 10.650 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.047 9.351 9.989 1.00 0.00 H new ATOM 0 HG SER A 18 5.513 9.519 9.996 1.00 0.00 H new ATOM 195 N GLU A 19 2.215 9.652 6.884 1.00 0.00 N ATOM 196 CA GLU A 19 2.023 9.337 5.453 1.00 0.00 C ATOM 197 C GLU A 19 1.070 10.353 4.801 1.00 0.00 C ATOM 198 O GLU A 19 -0.051 10.547 5.271 1.00 0.00 O ATOM 199 CB GLU A 19 1.589 7.870 5.262 1.00 0.00 C ATOM 200 CG GLU A 19 0.098 7.522 5.139 1.00 0.00 C ATOM 201 CD GLU A 19 -0.424 7.534 3.693 1.00 0.00 C ATOM 202 OE1 GLU A 19 -0.211 8.535 2.978 1.00 0.00 O ATOM 203 OE2 GLU A 19 -1.054 6.523 3.323 1.00 0.00 O ATOM 0 H GLU A 19 1.701 9.044 7.521 1.00 0.00 H new ATOM 0 HA GLU A 19 2.976 9.433 4.933 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.084 7.499 4.364 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.987 7.302 6.103 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.072 6.535 5.569 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.481 8.231 5.731 1.00 0.00 H new ATOM 205 N ALA A 20 1.549 10.895 3.684 1.00 0.00 N ATOM 206 CA ALA A 20 0.839 11.841 2.794 1.00 0.00 C ATOM 207 C ALA A 20 1.723 12.173 1.574 1.00 0.00 C ATOM 208 O ALA A 20 1.846 11.327 0.692 1.00 0.00 O ATOM 209 CB ALA A 20 0.355 13.104 3.534 1.00 0.00 C ATOM 0 H ALA A 20 2.489 10.683 3.349 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.069 11.355 2.437 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.159 13.762 2.833 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.330 12.818 4.332 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.211 13.626 3.961 1.00 0.00 H new ATOM 211 N LYS A 21 2.575 13.192 1.707 1.00 0.00 N ATOM 212 CA LYS A 21 3.498 13.703 0.665 1.00 0.00 C ATOM 213 C LYS A 21 4.378 12.645 -0.031 1.00 0.00 C ATOM 214 O LYS A 21 3.976 12.123 -1.070 1.00 0.00 O ATOM 215 CB LYS A 21 4.302 14.909 1.187 1.00 0.00 C ATOM 216 CG LYS A 21 4.773 14.780 2.642 1.00 0.00 C ATOM 217 CD LYS A 21 5.602 15.990 3.076 1.00 0.00 C ATOM 218 CE LYS A 21 5.600 16.146 4.599 1.00 0.00 C ATOM 219 NZ LYS A 21 4.332 16.723 5.077 1.00 0.00 N ATOM 0 H LYS A 21 2.652 13.714 2.580 1.00 0.00 H new ATOM 0 HA LYS A 21 2.853 14.043 -0.145 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.173 15.052 0.548 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.689 15.805 1.095 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.908 14.677 3.297 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.367 13.873 2.754 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.626 15.878 2.721 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.201 16.893 2.615 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.759 15.174 5.066 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.430 16.785 4.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.416 16.958 6.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.118 17.586 4.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.565 16.033 4.945 1.00 0.00 H new ATOM 224 N TYR A 22 5.479 12.241 0.609 1.00 0.00 N ATOM 225 CA TYR A 22 6.377 11.167 0.121 1.00 0.00 C ATOM 226 C TYR A 22 5.642 9.870 -0.266 1.00 0.00 C ATOM 227 O TYR A 22 5.834 9.358 -1.366 1.00 0.00 O ATOM 228 CB TYR A 22 7.473 10.882 1.165 1.00 0.00 C ATOM 229 CG TYR A 22 7.010 10.126 2.420 1.00 0.00 C ATOM 230 CD1 TYR A 22 5.965 10.598 3.204 1.00 0.00 C ATOM 231 CD2 TYR A 22 7.535 8.863 2.675 1.00 0.00 C ATOM 232 CE1 TYR A 22 5.436 9.806 4.207 1.00 0.00 C ATOM 233 CE2 TYR A 22 7.005 8.068 3.684 1.00 0.00 C ATOM 234 CZ TYR A 22 5.961 8.550 4.462 1.00 0.00 C ATOM 235 OH TYR A 22 5.435 7.828 5.483 1.00 0.00 O ATOM 0 H TYR A 22 5.784 12.650 1.492 1.00 0.00 H new ATOM 0 HA TYR A 22 6.829 11.536 -0.800 1.00 0.00 H new ATOM 0 HB2 TYR A 22 8.265 10.306 0.687 1.00 0.00 H new ATOM 0 HB3 TYR A 22 7.911 11.831 1.475 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.565 11.586 3.030 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.361 8.497 2.084 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.607 10.170 4.796 1.00 0.00 H new ATOM 0 HE2 TYR A 22 7.403 7.080 3.862 1.00 0.00 H new ATOM 0 HH TYR A 22 5.788 6.914 5.453 1.00 0.00 H new ATOM 242 N TYR A 23 4.612 9.543 0.518 1.00 0.00 N ATOM 243 CA TYR A 23 3.750 8.369 0.298 1.00 0.00 C ATOM 244 C TYR A 23 3.091 8.451 -1.090 1.00 0.00 C ATOM 245 O TYR A 23 3.518 7.735 -1.989 1.00 0.00 O ATOM 246 CB TYR A 23 2.719 8.274 1.427 1.00 0.00 C ATOM 247 CG TYR A 23 2.528 6.838 1.920 1.00 0.00 C ATOM 248 CD1 TYR A 23 3.362 6.341 2.917 1.00 0.00 C ATOM 249 CD2 TYR A 23 1.455 6.074 1.474 1.00 0.00 C ATOM 250 CE1 TYR A 23 3.117 5.099 3.488 1.00 0.00 C ATOM 251 CE2 TYR A 23 1.205 4.831 2.042 1.00 0.00 C ATOM 252 CZ TYR A 23 2.032 4.350 3.048 1.00 0.00 C ATOM 253 OH TYR A 23 1.860 3.081 3.486 1.00 0.00 O ATOM 0 H TYR A 23 4.346 10.091 1.336 1.00 0.00 H new ATOM 0 HA TYR A 23 4.347 7.457 0.316 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.036 8.902 2.259 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.764 8.666 1.078 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.207 6.926 3.249 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.817 6.447 0.687 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.763 4.719 4.266 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.368 4.239 1.701 1.00 0.00 H new ATOM 0 HH TYR A 23 2.655 2.796 3.982 1.00 0.00 H new ATOM 260 N LEU A 24 2.320 9.511 -1.340 1.00 0.00 N ATOM 261 CA LEU A 24 1.695 9.735 -2.658 1.00 0.00 C ATOM 262 C LEU A 24 2.738 9.948 -3.774 1.00 0.00 C ATOM 263 O LEU A 24 2.736 9.205 -4.747 1.00 0.00 O ATOM 264 CB LEU A 24 0.636 10.854 -2.583 1.00 0.00 C ATOM 265 CG LEU A 24 1.123 12.297 -2.774 1.00 0.00 C ATOM 266 CD1 LEU A 24 0.804 12.776 -4.194 1.00 0.00 C ATOM 267 CD2 LEU A 24 0.492 13.228 -1.741 1.00 0.00 C ATOM 0 H LEU A 24 2.109 10.232 -0.650 1.00 0.00 H new ATOM 0 HA LEU A 24 1.166 8.824 -2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.123 10.651 -3.338 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.145 10.789 -1.612 1.00 0.00 H new ATOM 0 HG LEU A 24 2.203 12.318 -2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.153 13.801 -4.319 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.304 12.131 -4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.273 12.737 -4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.854 14.244 -1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.593 13.208 -1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.764 12.897 -0.739 1.00 0.00 H new ATOM 269 N ASN A 25 3.771 10.743 -3.504 1.00 0.00 N ATOM 270 CA ASN A 25 4.826 11.048 -4.494 1.00 0.00 C ATOM 271 C ASN A 25 5.625 9.840 -5.009 1.00 0.00 C ATOM 272 O ASN A 25 6.210 9.912 -6.088 1.00 0.00 O ATOM 273 CB ASN A 25 5.759 12.142 -3.960 1.00 0.00 C ATOM 274 CG ASN A 25 5.045 13.490 -3.783 1.00 0.00 C ATOM 275 OD1 ASN A 25 5.346 14.274 -2.893 1.00 0.00 O ATOM 276 ND2 ASN A 25 4.044 13.767 -4.596 1.00 0.00 N ATOM 0 H ASN A 25 3.909 11.196 -2.601 1.00 0.00 H new ATOM 0 HA ASN A 25 4.292 11.407 -5.374 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.174 11.826 -3.003 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.598 12.266 -4.645 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.520 14.635 -4.483 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.793 13.113 -5.338 1.00 0.00 H new ATOM 280 N ILE A 26 5.690 8.782 -4.203 1.00 0.00 N ATOM 281 CA ILE A 26 6.368 7.539 -4.616 1.00 0.00 C ATOM 282 C ILE A 26 5.368 6.389 -4.922 1.00 0.00 C ATOM 283 O ILE A 26 5.606 5.628 -5.856 1.00 0.00 O ATOM 284 CB ILE A 26 7.468 7.164 -3.585 1.00 0.00 C ATOM 285 CG1 ILE A 26 8.273 8.345 -2.999 1.00 0.00 C ATOM 286 CG2 ILE A 26 8.439 6.118 -4.137 1.00 0.00 C ATOM 287 CD1 ILE A 26 8.956 9.303 -3.987 1.00 0.00 C ATOM 0 H ILE A 26 5.287 8.753 -3.266 1.00 0.00 H new ATOM 0 HA ILE A 26 6.871 7.715 -5.567 1.00 0.00 H new ATOM 0 HB ILE A 26 6.893 6.750 -2.757 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.600 8.932 -2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.041 7.935 -2.344 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.191 5.886 -3.383 1.00 0.00 H new ATOM 0 HG22 ILE A 26 7.890 5.212 -4.393 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.928 6.510 -5.028 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.483 10.081 -3.434 1.00 0.00 H new ATOM 0 HD12 ILE A 26 9.667 8.748 -4.599 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.204 9.761 -4.629 1.00 0.00 H new ATOM 289 N ILE A 27 4.199 6.342 -4.270 1.00 0.00 N ATOM 290 CA ILE A 27 3.208 5.248 -4.447 1.00 0.00 C ATOM 291 C ILE A 27 1.918 5.563 -5.243 1.00 0.00 C ATOM 292 O ILE A 27 1.266 4.637 -5.724 1.00 0.00 O ATOM 293 CB ILE A 27 2.941 4.578 -3.078 1.00 0.00 C ATOM 294 CG1 ILE A 27 2.825 3.047 -3.186 1.00 0.00 C ATOM 295 CG2 ILE A 27 1.828 5.230 -2.236 1.00 0.00 C ATOM 296 CD1 ILE A 27 1.493 2.425 -3.614 1.00 0.00 C ATOM 0 H ILE A 27 3.904 7.056 -3.603 1.00 0.00 H new ATOM 0 HA ILE A 27 3.681 4.542 -5.130 1.00 0.00 H new ATOM 0 HB ILE A 27 3.838 4.777 -2.492 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.585 2.710 -3.890 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.084 2.629 -2.213 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.718 4.688 -1.297 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.090 6.268 -2.028 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.888 5.196 -2.787 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.589 1.339 -3.637 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.716 2.705 -2.903 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.225 2.787 -4.607 1.00 0.00 H new ATOM 298 N GLU A 28 1.508 6.830 -5.320 1.00 0.00 N ATOM 299 CA GLU A 28 0.295 7.253 -6.058 1.00 0.00 C ATOM 300 C GLU A 28 0.467 6.968 -7.557 1.00 0.00 C ATOM 301 O GLU A 28 1.157 7.680 -8.287 1.00 0.00 O ATOM 302 CB GLU A 28 0.000 8.741 -5.822 1.00 0.00 C ATOM 303 CG GLU A 28 -1.189 9.294 -6.616 1.00 0.00 C ATOM 304 CD GLU A 28 -1.096 10.813 -6.800 1.00 0.00 C ATOM 305 OE1 GLU A 28 0.007 11.306 -7.128 1.00 0.00 O ATOM 306 OE2 GLU A 28 -2.155 11.459 -6.649 1.00 0.00 O ATOM 0 H GLU A 28 2.003 7.602 -4.874 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.554 6.680 -5.685 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.187 8.896 -4.759 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.889 9.318 -6.077 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.229 8.812 -7.593 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.117 9.047 -6.100 1.00 0.00 H new ATOM 308 N GLY A 29 -0.178 5.872 -7.952 1.00 0.00 N ATOM 309 CA GLY A 29 -0.103 5.345 -9.321 1.00 0.00 C ATOM 310 C GLY A 29 0.546 3.960 -9.314 1.00 0.00 C ATOM 311 O GLY A 29 0.374 3.183 -8.373 1.00 0.00 O ATOM 0 H GLY A 29 -0.771 5.320 -7.332 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.103 5.285 -9.752 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.475 6.023 -9.949 1.00 0.00 H new ATOM 313 N GLU A 30 1.367 3.749 -10.337 1.00 0.00 N ATOM 314 CA GLU A 30 1.903 2.417 -10.665 1.00 0.00 C ATOM 315 C GLU A 30 3.418 2.305 -10.859 1.00 0.00 C ATOM 316 O GLU A 30 4.041 3.084 -11.579 1.00 0.00 O ATOM 317 CB GLU A 30 1.124 1.779 -11.826 1.00 0.00 C ATOM 318 CG GLU A 30 0.953 2.690 -13.049 1.00 0.00 C ATOM 319 CD GLU A 30 -0.280 2.332 -13.890 1.00 0.00 C ATOM 320 OE1 GLU A 30 -1.317 1.967 -13.291 1.00 0.00 O ATOM 321 OE2 GLU A 30 -0.195 2.539 -15.119 1.00 0.00 O ATOM 0 H GLU A 30 1.683 4.488 -10.965 1.00 0.00 H new ATOM 0 HA GLU A 30 1.739 1.842 -9.754 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.637 0.868 -12.135 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.138 1.483 -11.467 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.872 3.725 -12.717 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.844 2.624 -13.673 1.00 0.00 H new ATOM 323 N TRP A 31 3.969 1.392 -10.065 1.00 0.00 N ATOM 324 CA TRP A 31 5.359 0.904 -10.172 1.00 0.00 C ATOM 325 C TRP A 31 5.480 0.030 -11.420 1.00 0.00 C ATOM 326 O TRP A 31 4.569 -0.750 -11.685 1.00 0.00 O ATOM 327 CB TRP A 31 5.701 0.031 -8.957 1.00 0.00 C ATOM 328 CG TRP A 31 5.697 0.845 -7.667 1.00 0.00 C ATOM 329 CD1 TRP A 31 4.632 1.455 -7.155 1.00 0.00 C ATOM 330 CD2 TRP A 31 6.816 1.402 -7.065 1.00 0.00 C ATOM 331 NE1 TRP A 31 5.015 2.387 -6.284 1.00 0.00 N ATOM 332 CE2 TRP A 31 6.339 2.402 -6.239 1.00 0.00 C ATOM 333 CE3 TRP A 31 8.174 1.133 -7.127 1.00 0.00 C ATOM 334 CZ2 TRP A 31 7.235 3.171 -5.514 1.00 0.00 C ATOM 335 CZ3 TRP A 31 9.059 1.877 -6.352 1.00 0.00 C ATOM 336 CH2 TRP A 31 8.591 2.908 -5.555 1.00 0.00 C ATOM 0 H TRP A 31 3.453 0.952 -9.303 1.00 0.00 H new ATOM 0 HA TRP A 31 6.033 1.759 -10.222 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.980 -0.783 -8.878 1.00 0.00 H new ATOM 0 HB3 TRP A 31 6.681 -0.424 -9.099 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.607 1.228 -7.408 1.00 0.00 H new ATOM 0 HE1 TRP A 31 4.394 2.988 -5.743 1.00 0.00 H new ATOM 0 HE3 TRP A 31 8.544 0.350 -7.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 6.869 3.987 -4.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 10.115 1.649 -6.372 1.00 0.00 H new ATOM 0 HH2 TRP A 31 9.279 3.501 -4.971 1.00 0.00 H new ATOM 344 N HIS A 32 6.648 0.085 -12.063 1.00 0.00 N ATOM 345 CA HIS A 32 6.983 -0.668 -13.293 1.00 0.00 C ATOM 346 C HIS A 32 6.066 -0.280 -14.474 1.00 0.00 C ATOM 347 O HIS A 32 4.851 -0.465 -14.392 1.00 0.00 O ATOM 348 CB HIS A 32 6.913 -2.181 -13.024 1.00 0.00 C ATOM 349 CG HIS A 32 8.063 -2.955 -13.666 1.00 0.00 C ATOM 350 ND1 HIS A 32 9.247 -3.171 -13.101 1.00 0.00 N ATOM 351 CD2 HIS A 32 7.978 -3.724 -14.746 1.00 0.00 C ATOM 352 CE1 HIS A 32 9.885 -4.091 -13.822 1.00 0.00 C ATOM 353 NE2 HIS A 32 9.098 -4.437 -14.834 1.00 0.00 N ATOM 0 H HIS A 32 7.417 0.671 -11.739 1.00 0.00 H new ATOM 0 HA HIS A 32 8.002 -0.405 -13.577 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.922 -2.354 -11.948 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.966 -2.568 -13.401 1.00 0.00 H new ATOM 0 HD2 HIS A 32 7.145 -3.764 -15.433 1.00 0.00 H new ATOM 0 HE1 HIS A 32 10.869 -4.486 -13.619 1.00 0.00 H new ATOM 0 HE2 HIS A 32 9.314 -5.128 -15.553 1.00 0.00 H new ATOM 356 N PRO A 33 6.637 0.210 -15.587 1.00 0.00 N ATOM 357 CA PRO A 33 5.865 0.713 -16.741 1.00 0.00 C ATOM 358 C PRO A 33 5.028 -0.375 -17.440 1.00 0.00 C ATOM 359 O PRO A 33 3.911 -0.657 -17.017 1.00 0.00 O ATOM 360 CB PRO A 33 6.909 1.415 -17.620 1.00 0.00 C ATOM 361 CG PRO A 33 8.197 0.642 -17.338 1.00 0.00 C ATOM 362 CD PRO A 33 8.087 0.300 -15.853 1.00 0.00 C ATOM 0 HA PRO A 33 5.082 1.413 -16.450 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.639 1.372 -18.675 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.009 2.469 -17.359 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.270 -0.255 -17.953 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.081 1.244 -17.547 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.589 -0.641 -15.627 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.554 1.067 -15.236 1.00 0.00 H new ATOM 363 N GLN A 34 5.572 -1.016 -18.478 1.00 0.00 N ATOM 364 CA GLN A 34 4.836 -2.056 -19.227 1.00 0.00 C ATOM 365 C GLN A 34 5.591 -3.392 -19.382 1.00 0.00 C ATOM 366 O GLN A 34 5.140 -4.301 -20.079 1.00 0.00 O ATOM 367 CB GLN A 34 4.459 -1.434 -20.575 1.00 0.00 C ATOM 368 CG GLN A 34 3.109 -1.961 -21.064 1.00 0.00 C ATOM 369 CD GLN A 34 2.255 -0.884 -21.742 1.00 0.00 C ATOM 370 OE1 GLN A 34 2.289 0.298 -21.436 1.00 0.00 O ATOM 371 NE2 GLN A 34 1.400 -1.306 -22.645 1.00 0.00 N ATOM 0 H GLN A 34 6.515 -0.839 -18.823 1.00 0.00 H new ATOM 0 HA GLN A 34 3.951 -2.347 -18.661 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.417 -0.349 -20.480 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.230 -1.660 -21.312 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.277 -2.778 -21.765 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.559 -2.374 -20.219 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.373 -2.293 -22.900 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.763 -0.646 -23.092 1.00 0.00 H new ATOM 375 N ASP A 35 6.516 -3.637 -18.457 1.00 0.00 N ATOM 376 CA ASP A 35 7.455 -4.772 -18.561 1.00 0.00 C ATOM 377 C ASP A 35 7.176 -5.872 -17.516 1.00 0.00 C ATOM 378 O ASP A 35 8.079 -6.343 -16.827 1.00 0.00 O ATOM 379 CB ASP A 35 8.881 -4.193 -18.509 1.00 0.00 C ATOM 380 CG ASP A 35 9.977 -5.231 -18.771 1.00 0.00 C ATOM 381 OD1 ASP A 35 10.151 -5.581 -19.957 1.00 0.00 O ATOM 382 OD2 ASP A 35 10.650 -5.592 -17.782 1.00 0.00 O ATOM 0 H ASP A 35 6.643 -3.067 -17.620 1.00 0.00 H new ATOM 0 HA ASP A 35 7.323 -5.295 -19.508 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.966 -3.394 -19.245 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.046 -3.743 -17.530 1.00 0.00 H new ATOM 384 N LEU A 36 5.895 -6.239 -17.419 1.00 0.00 N ATOM 385 CA LEU A 36 5.378 -7.265 -16.482 1.00 0.00 C ATOM 386 C LEU A 36 3.921 -7.654 -16.831 1.00 0.00 C ATOM 387 O LEU A 36 3.004 -7.495 -16.028 1.00 0.00 O ATOM 388 CB LEU A 36 5.474 -6.729 -15.034 1.00 0.00 C ATOM 389 CG LEU A 36 5.912 -7.718 -13.935 1.00 0.00 C ATOM 390 CD1 LEU A 36 5.013 -8.954 -13.818 1.00 0.00 C ATOM 391 CD2 LEU A 36 7.386 -8.101 -14.086 1.00 0.00 C ATOM 0 H LEU A 36 5.164 -5.827 -17.999 1.00 0.00 H new ATOM 0 HA LEU A 36 5.985 -8.166 -16.572 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.173 -5.892 -15.031 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.498 -6.330 -14.758 1.00 0.00 H new ATOM 0 HG LEU A 36 5.793 -7.185 -12.992 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.386 -9.601 -13.024 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.995 -8.643 -13.584 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.018 -9.498 -14.762 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.663 -8.799 -13.296 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.542 -8.571 -15.057 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.004 -7.206 -14.013 1.00 0.00 H new ATOM 393 N ASN A 37 3.700 -7.985 -18.108 1.00 0.00 N ATOM 394 CA ASN A 37 2.385 -8.389 -18.669 1.00 0.00 C ATOM 395 C ASN A 37 1.121 -7.581 -18.295 1.00 0.00 C ATOM 396 O ASN A 37 0.001 -8.054 -18.482 1.00 0.00 O ATOM 397 CB ASN A 37 2.168 -9.887 -18.416 1.00 0.00 C ATOM 398 CG ASN A 37 2.633 -10.709 -19.617 1.00 0.00 C ATOM 399 OD1 ASN A 37 3.812 -10.944 -19.837 1.00 0.00 O ATOM 400 ND2 ASN A 37 1.700 -11.054 -20.476 1.00 0.00 N ATOM 0 H ASN A 37 4.443 -7.983 -18.806 1.00 0.00 H new ATOM 0 HA ASN A 37 2.485 -8.144 -19.726 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.716 -10.194 -17.525 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.113 -10.080 -18.224 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.955 -11.526 -21.343 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.721 -10.850 -20.275 1.00 0.00 H new ATOM 404 N ASP A 38 1.319 -6.291 -18.017 1.00 0.00 N ATOM 405 CA ASP A 38 0.293 -5.338 -17.527 1.00 0.00 C ATOM 406 C ASP A 38 -0.475 -5.841 -16.290 1.00 0.00 C ATOM 407 O ASP A 38 -1.659 -6.179 -16.338 1.00 0.00 O ATOM 408 CB ASP A 38 -0.657 -4.908 -18.661 1.00 0.00 C ATOM 409 CG ASP A 38 -0.006 -4.024 -19.732 1.00 0.00 C ATOM 410 OD1 ASP A 38 1.235 -4.101 -19.889 1.00 0.00 O ATOM 411 OD2 ASP A 38 -0.767 -3.292 -20.397 1.00 0.00 O ATOM 0 H ASP A 38 2.233 -5.853 -18.128 1.00 0.00 H new ATOM 0 HA ASP A 38 0.835 -4.455 -17.190 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.059 -5.801 -19.140 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.501 -4.371 -18.228 1.00 0.00 H new ATOM 413 N SER A 39 0.263 -5.895 -15.182 1.00 0.00 N ATOM 414 CA SER A 39 -0.268 -6.313 -13.863 1.00 0.00 C ATOM 415 C SER A 39 0.527 -5.797 -12.632 1.00 0.00 C ATOM 416 O SER A 39 0.644 -6.514 -11.631 1.00 0.00 O ATOM 417 CB SER A 39 -0.352 -7.849 -13.873 1.00 0.00 C ATOM 418 OG SER A 39 0.958 -8.403 -14.017 1.00 0.00 O ATOM 0 H SER A 39 1.253 -5.651 -15.163 1.00 0.00 H new ATOM 0 HA SER A 39 -1.247 -5.851 -13.738 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.808 -8.204 -12.949 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.990 -8.182 -14.691 1.00 0.00 H new ATOM 0 HG SER A 39 1.378 -8.043 -14.826 1.00 0.00 H new ATOM 421 N PRO A 40 0.969 -4.527 -12.606 1.00 0.00 N ATOM 422 CA PRO A 40 1.886 -4.013 -11.570 1.00 0.00 C ATOM 423 C PRO A 40 1.127 -3.581 -10.296 1.00 0.00 C ATOM 424 O PRO A 40 0.064 -4.119 -9.987 1.00 0.00 O ATOM 425 CB PRO A 40 2.594 -2.846 -12.274 1.00 0.00 C ATOM 426 CG PRO A 40 1.985 -2.734 -13.672 1.00 0.00 C ATOM 427 CD PRO A 40 0.632 -3.424 -13.522 1.00 0.00 C ATOM 0 HA PRO A 40 2.591 -4.761 -11.207 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.456 -1.919 -11.718 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.667 -3.025 -12.334 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.874 -1.694 -13.980 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.606 -3.225 -14.422 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.124 -2.759 -13.104 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.247 -3.785 -14.476 1.00 0.00 H new ATOM 428 N LEU A 41 1.677 -2.596 -9.582 1.00 0.00 N ATOM 429 CA LEU A 41 1.082 -2.018 -8.361 1.00 0.00 C ATOM 430 C LEU A 41 0.554 -0.603 -8.643 1.00 0.00 C ATOM 431 O LEU A 41 1.344 0.330 -8.770 1.00 0.00 O ATOM 432 CB LEU A 41 2.147 -1.958 -7.253 1.00 0.00 C ATOM 433 CG LEU A 41 1.646 -1.222 -6.001 1.00 0.00 C ATOM 434 CD1 LEU A 41 1.061 -2.182 -4.980 1.00 0.00 C ATOM 435 CD2 LEU A 41 2.758 -0.407 -5.364 1.00 0.00 C ATOM 0 H LEU A 41 2.566 -2.165 -9.836 1.00 0.00 H new ATOM 0 HA LEU A 41 0.251 -2.646 -8.040 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.443 -2.971 -6.982 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.037 -1.457 -7.634 1.00 0.00 H new ATOM 0 HG LEU A 41 0.855 -0.547 -6.326 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.718 -1.623 -4.110 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.220 -2.716 -5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.824 -2.897 -4.674 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.375 0.103 -4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.575 -1.069 -5.076 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.124 0.330 -6.078 1.00 0.00 H new ATOM 437 N LYS A 42 -0.770 -0.487 -8.685 1.00 0.00 N ATOM 438 CA LYS A 42 -1.459 0.811 -8.817 1.00 0.00 C ATOM 439 C LYS A 42 -2.330 1.124 -7.591 1.00 0.00 C ATOM 440 O LYS A 42 -3.184 0.340 -7.173 1.00 0.00 O ATOM 441 CB LYS A 42 -2.269 0.958 -10.117 1.00 0.00 C ATOM 442 CG LYS A 42 -3.443 -0.020 -10.267 1.00 0.00 C ATOM 443 CD LYS A 42 -3.124 -1.221 -11.160 1.00 0.00 C ATOM 444 CE LYS A 42 -3.368 -0.878 -12.632 1.00 0.00 C ATOM 445 NZ LYS A 42 -3.198 -2.064 -13.482 1.00 0.00 N ATOM 0 H LYS A 42 -1.403 -1.285 -8.629 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.660 1.551 -8.871 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.655 1.976 -10.173 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.595 0.825 -10.964 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.736 -0.378 -9.280 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.300 0.513 -10.680 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.086 -1.521 -11.018 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.743 -2.070 -10.871 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.375 -0.479 -12.754 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.676 -0.097 -12.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.997 -1.766 -14.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.407 -2.637 -13.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.070 -2.631 -13.466 1.00 0.00 H new ATOM 450 N PHE A 43 -1.951 2.208 -6.928 1.00 0.00 N ATOM 451 CA PHE A 43 -2.717 2.751 -5.793 1.00 0.00 C ATOM 452 C PHE A 43 -3.191 4.193 -6.023 1.00 0.00 C ATOM 453 O PHE A 43 -2.407 5.090 -6.333 1.00 0.00 O ATOM 454 CB PHE A 43 -1.901 2.561 -4.509 1.00 0.00 C ATOM 455 CG PHE A 43 -2.269 3.486 -3.345 1.00 0.00 C ATOM 456 CD1 PHE A 43 -3.238 3.140 -2.413 1.00 0.00 C ATOM 457 CD2 PHE A 43 -1.573 4.681 -3.219 1.00 0.00 C ATOM 458 CE1 PHE A 43 -3.494 3.985 -1.340 1.00 0.00 C ATOM 459 CE2 PHE A 43 -1.837 5.530 -2.155 1.00 0.00 C ATOM 460 CZ PHE A 43 -2.798 5.182 -1.215 1.00 0.00 C ATOM 0 H PHE A 43 -1.110 2.740 -7.153 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.647 2.192 -5.689 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.014 1.529 -4.178 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.847 2.707 -4.745 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.790 2.218 -2.521 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.825 4.949 -3.951 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.234 3.712 -0.603 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.296 6.460 -2.058 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.005 5.842 -0.386 1.00 0.00 H new ATOM 467 N ILE A 44 -4.477 4.367 -5.742 1.00 0.00 N ATOM 468 CA ILE A 44 -5.188 5.655 -5.853 1.00 0.00 C ATOM 469 C ILE A 44 -5.635 6.177 -4.465 1.00 0.00 C ATOM 470 O ILE A 44 -5.595 5.479 -3.449 1.00 0.00 O ATOM 471 CB ILE A 44 -6.305 5.518 -6.916 1.00 0.00 C ATOM 472 CG1 ILE A 44 -6.692 6.898 -7.482 1.00 0.00 C ATOM 473 CG2 ILE A 44 -7.518 4.728 -6.393 1.00 0.00 C ATOM 474 CD1 ILE A 44 -7.504 6.860 -8.782 1.00 0.00 C ATOM 0 H ILE A 44 -5.076 3.606 -5.423 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.523 6.441 -6.211 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.907 4.928 -7.742 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.267 7.435 -6.728 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.781 7.471 -7.657 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.273 4.660 -7.176 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.202 3.725 -6.105 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.939 5.239 -5.527 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.728 7.878 -9.101 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.927 6.356 -9.557 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.435 6.319 -8.614 1.00 0.00 H new ATOM 476 N LEU A 45 -6.185 7.387 -4.489 1.00 0.00 N ATOM 477 CA LEU A 45 -6.491 8.195 -3.296 1.00 0.00 C ATOM 478 C LEU A 45 -7.982 8.582 -3.279 1.00 0.00 C ATOM 479 O LEU A 45 -8.519 9.042 -4.285 1.00 0.00 O ATOM 480 CB LEU A 45 -5.611 9.451 -3.347 1.00 0.00 C ATOM 481 CG LEU A 45 -4.093 9.217 -3.387 1.00 0.00 C ATOM 482 CD1 LEU A 45 -3.402 10.535 -3.726 1.00 0.00 C ATOM 483 CD2 LEU A 45 -3.540 8.723 -2.048 1.00 0.00 C ATOM 0 H LEU A 45 -6.440 7.853 -5.360 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.287 7.627 -2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.891 10.030 -4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.840 10.065 -2.476 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.901 8.450 -4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.323 10.383 -3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.747 10.887 -4.698 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.641 11.278 -2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.464 8.574 -2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.745 9.463 -1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.018 7.780 -1.783 1.00 0.00 H new ATOM 485 N SER A 46 -8.591 8.446 -2.101 1.00 0.00 N ATOM 486 CA SER A 46 -10.040 8.638 -1.822 1.00 0.00 C ATOM 487 C SER A 46 -10.947 7.669 -2.601 1.00 0.00 C ATOM 488 O SER A 46 -10.471 6.798 -3.331 1.00 0.00 O ATOM 489 CB SER A 46 -10.531 10.092 -1.980 1.00 0.00 C ATOM 490 OG SER A 46 -11.069 10.396 -3.272 1.00 0.00 O ATOM 0 H SER A 46 -8.072 8.186 -1.263 1.00 0.00 H new ATOM 0 HA SER A 46 -10.128 8.394 -0.763 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.293 10.289 -1.226 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.700 10.768 -1.777 1.00 0.00 H new ATOM 0 HG SER A 46 -10.462 10.063 -3.966 1.00 0.00 H new ATOM 493 N THR A 47 -12.203 7.612 -2.158 1.00 0.00 N ATOM 494 CA THR A 47 -13.286 6.915 -2.898 1.00 0.00 C ATOM 495 C THR A 47 -14.653 7.546 -2.563 1.00 0.00 C ATOM 496 O THR A 47 -15.596 6.854 -2.171 1.00 0.00 O ATOM 497 CB THR A 47 -13.314 5.396 -2.623 1.00 0.00 C ATOM 498 OG1 THR A 47 -12.021 4.908 -2.248 1.00 0.00 O ATOM 499 CG2 THR A 47 -13.800 4.637 -3.862 1.00 0.00 C ATOM 0 H THR A 47 -12.510 8.040 -1.284 1.00 0.00 H new ATOM 0 HA THR A 47 -13.078 7.040 -3.961 1.00 0.00 H new ATOM 0 HB THR A 47 -14.003 5.227 -1.796 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.343 5.281 -2.850 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.814 3.568 -3.651 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.805 4.969 -4.121 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.127 4.834 -4.696 1.00 0.00 H new ATOM 502 N SER A 48 -14.700 8.880 -2.662 1.00 0.00 N ATOM 503 CA SER A 48 -15.828 9.767 -2.270 1.00 0.00 C ATOM 504 C SER A 48 -16.261 9.695 -0.798 1.00 0.00 C ATOM 505 O SER A 48 -16.138 10.662 -0.053 1.00 0.00 O ATOM 506 CB SER A 48 -17.071 9.635 -3.164 1.00 0.00 C ATOM 507 OG SER A 48 -16.869 10.316 -4.403 1.00 0.00 O ATOM 0 H SER A 48 -13.913 9.410 -3.037 1.00 0.00 H new ATOM 0 HA SER A 48 -15.380 10.749 -2.422 1.00 0.00 H new ATOM 0 HB2 SER A 48 -17.282 8.582 -3.351 1.00 0.00 H new ATOM 0 HB3 SER A 48 -17.940 10.048 -2.652 1.00 0.00 H new ATOM 0 HG SER A 48 -17.668 10.222 -4.962 1.00 0.00 H new ATOM 510 N ASP A 49 -16.770 8.524 -0.424 1.00 0.00 N ATOM 511 CA ASP A 49 -17.312 8.184 0.909 1.00 0.00 C ATOM 512 C ASP A 49 -17.451 6.669 1.183 1.00 0.00 C ATOM 513 O ASP A 49 -18.042 6.277 2.187 1.00 0.00 O ATOM 514 CB ASP A 49 -18.666 8.892 1.120 1.00 0.00 C ATOM 515 CG ASP A 49 -19.628 8.715 -0.060 1.00 0.00 C ATOM 516 OD1 ASP A 49 -20.119 7.578 -0.231 1.00 0.00 O ATOM 517 OD2 ASP A 49 -19.716 9.666 -0.869 1.00 0.00 O ATOM 0 H ASP A 49 -16.823 7.737 -1.071 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.575 8.541 1.629 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -19.135 8.504 2.024 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -18.492 9.956 1.282 1.00 0.00 H new ATOM 519 N ASP A 50 -16.862 5.829 0.326 1.00 0.00 N ATOM 520 CA ASP A 50 -16.904 4.362 0.485 1.00 0.00 C ATOM 521 C ASP A 50 -15.636 3.740 -0.120 1.00 0.00 C ATOM 522 O ASP A 50 -15.572 3.416 -1.305 1.00 0.00 O ATOM 523 CB ASP A 50 -18.183 3.817 -0.173 1.00 0.00 C ATOM 524 CG ASP A 50 -18.524 2.391 0.275 1.00 0.00 C ATOM 525 OD1 ASP A 50 -18.366 2.113 1.485 1.00 0.00 O ATOM 526 OD2 ASP A 50 -18.910 1.597 -0.610 1.00 0.00 O ATOM 0 H ASP A 50 -16.344 6.140 -0.496 1.00 0.00 H new ATOM 0 HA ASP A 50 -16.929 4.095 1.542 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -19.017 4.477 0.065 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -18.063 3.833 -1.256 1.00 0.00 H new ATOM 528 N SER A 51 -14.622 3.624 0.731 1.00 0.00 N ATOM 529 CA SER A 51 -13.270 3.192 0.323 1.00 0.00 C ATOM 530 C SER A 51 -12.931 1.767 0.755 1.00 0.00 C ATOM 531 O SER A 51 -13.290 1.326 1.845 1.00 0.00 O ATOM 532 CB SER A 51 -12.221 4.122 0.930 1.00 0.00 C ATOM 533 OG SER A 51 -12.419 5.454 0.453 1.00 0.00 O ATOM 0 H SER A 51 -14.704 3.825 1.728 1.00 0.00 H new ATOM 0 HA SER A 51 -13.262 3.228 -0.766 1.00 0.00 H new ATOM 0 HB2 SER A 51 -12.290 4.102 2.018 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.221 3.777 0.668 1.00 0.00 H new ATOM 0 HG SER A 51 -12.175 5.502 -0.495 1.00 0.00 H new ATOM 536 N ASP A 52 -12.154 1.098 -0.097 1.00 0.00 N ATOM 537 CA ASP A 52 -11.635 -0.257 0.191 1.00 0.00 C ATOM 538 C ASP A 52 -10.643 -0.291 1.369 1.00 0.00 C ATOM 539 O ASP A 52 -10.756 -1.142 2.253 1.00 0.00 O ATOM 540 CB ASP A 52 -11.001 -0.893 -1.056 1.00 0.00 C ATOM 541 CG ASP A 52 -12.002 -1.315 -2.143 1.00 0.00 C ATOM 542 OD1 ASP A 52 -12.993 -0.576 -2.349 1.00 0.00 O ATOM 543 OD2 ASP A 52 -11.709 -2.338 -2.791 1.00 0.00 O ATOM 0 H ASP A 52 -11.863 1.469 -1.002 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.502 -0.847 0.488 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.294 -0.185 -1.488 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.429 -1.768 -0.749 1.00 0.00 H new ATOM 545 N TYR A 53 -9.746 0.698 1.414 1.00 0.00 N ATOM 546 CA TYR A 53 -8.737 0.810 2.481 1.00 0.00 C ATOM 547 C TYR A 53 -8.942 1.942 3.485 1.00 0.00 C ATOM 548 O TYR A 53 -8.706 3.114 3.188 1.00 0.00 O ATOM 549 CB TYR A 53 -7.332 0.929 1.883 1.00 0.00 C ATOM 550 CG TYR A 53 -6.730 -0.410 1.462 1.00 0.00 C ATOM 551 CD1 TYR A 53 -7.001 -1.563 2.185 1.00 0.00 C ATOM 552 CD2 TYR A 53 -5.750 -0.430 0.482 1.00 0.00 C ATOM 553 CE1 TYR A 53 -6.328 -2.736 1.904 1.00 0.00 C ATOM 554 CE2 TYR A 53 -5.055 -1.600 0.218 1.00 0.00 C ATOM 555 CZ TYR A 53 -5.393 -2.767 0.890 1.00 0.00 C ATOM 556 OH TYR A 53 -4.991 -3.980 0.440 1.00 0.00 O ATOM 0 H TYR A 53 -9.695 1.442 0.718 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.859 -0.112 3.049 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -7.370 1.589 1.016 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -6.674 1.400 2.614 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.741 -1.543 2.971 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.528 0.467 -0.077 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.533 -3.628 2.477 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.254 -1.604 -0.507 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.762 -3.917 -0.511 1.00 0.00 H new ATOM 563 N ILE A 54 -9.049 1.513 4.736 1.00 0.00 N ATOM 564 CA ILE A 54 -9.160 2.432 5.882 1.00 0.00 C ATOM 565 C ILE A 54 -7.844 2.494 6.669 1.00 0.00 C ATOM 566 O ILE A 54 -7.256 1.479 7.050 1.00 0.00 O ATOM 567 CB ILE A 54 -10.412 2.133 6.745 1.00 0.00 C ATOM 568 CG1 ILE A 54 -10.571 3.089 7.937 1.00 0.00 C ATOM 569 CG2 ILE A 54 -10.486 0.681 7.219 1.00 0.00 C ATOM 570 CD1 ILE A 54 -10.918 4.526 7.531 1.00 0.00 C ATOM 0 H ILE A 54 -9.062 0.526 4.993 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.322 3.441 5.503 1.00 0.00 H new ATOM 0 HB ILE A 54 -11.250 2.305 6.069 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -11.352 2.708 8.596 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.645 3.097 8.512 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -11.386 0.539 7.818 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.517 0.017 6.355 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.608 0.450 7.823 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.015 5.143 8.424 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.127 4.926 6.897 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.860 4.532 6.982 1.00 0.00 H new ATOM 572 N CYS A 55 -7.359 3.732 6.747 1.00 0.00 N ATOM 573 CA CYS A 55 -6.113 4.115 7.433 1.00 0.00 C ATOM 574 C CYS A 55 -6.180 3.830 8.942 1.00 0.00 C ATOM 575 O CYS A 55 -6.809 4.569 9.697 1.00 0.00 O ATOM 576 CB CYS A 55 -5.812 5.595 7.154 1.00 0.00 C ATOM 577 SG CYS A 55 -4.298 6.174 8.003 1.00 0.00 S ATOM 0 H CYS A 55 -7.835 4.528 6.322 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.298 3.506 7.040 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.702 5.744 6.080 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -6.659 6.201 7.475 1.00 0.00 H new ATOM 579 N LYS A 56 -5.588 2.695 9.311 1.00 0.00 N ATOM 580 CA LYS A 56 -5.470 2.251 10.712 1.00 0.00 C ATOM 581 C LYS A 56 -4.537 3.141 11.550 1.00 0.00 C ATOM 582 O LYS A 56 -5.006 3.836 12.448 1.00 0.00 O ATOM 583 CB LYS A 56 -5.082 0.767 10.779 1.00 0.00 C ATOM 584 CG LYS A 56 -6.328 -0.121 10.828 1.00 0.00 C ATOM 585 CD LYS A 56 -6.364 -0.872 12.164 1.00 0.00 C ATOM 586 CE LYS A 56 -7.738 -1.462 12.499 1.00 0.00 C ATOM 587 NZ LYS A 56 -8.156 -2.558 11.613 1.00 0.00 N ATOM 0 H LYS A 56 -5.170 2.046 8.644 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.454 2.360 11.168 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.478 0.505 9.910 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.467 0.587 11.661 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.226 0.486 10.715 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.316 -0.830 10.000 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.629 -1.676 12.139 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.066 -0.192 12.962 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.724 -1.826 13.526 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.483 -0.668 12.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.609 -3.306 12.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.832 -2.197 10.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.324 -2.947 11.126 1.00 0.00 H new ATOM 592 N TYR A 57 -3.243 3.134 11.219 1.00 0.00 N ATOM 593 CA TYR A 57 -2.215 3.972 11.881 1.00 0.00 C ATOM 594 C TYR A 57 -0.853 3.959 11.170 1.00 0.00 C ATOM 595 O TYR A 57 -0.425 2.958 10.595 1.00 0.00 O ATOM 596 CB TYR A 57 -2.041 3.613 13.372 1.00 0.00 C ATOM 597 CG TYR A 57 -1.536 2.190 13.624 1.00 0.00 C ATOM 598 CD1 TYR A 57 -2.415 1.113 13.629 1.00 0.00 C ATOM 599 CD2 TYR A 57 -0.171 1.975 13.749 1.00 0.00 C ATOM 600 CE1 TYR A 57 -1.926 -0.184 13.723 1.00 0.00 C ATOM 601 CE2 TYR A 57 0.320 0.682 13.845 1.00 0.00 C ATOM 602 CZ TYR A 57 -0.554 -0.396 13.818 1.00 0.00 C ATOM 603 OH TYR A 57 -0.041 -1.651 13.753 1.00 0.00 O ATOM 0 H TYR A 57 -2.866 2.544 10.477 1.00 0.00 H new ATOM 0 HA TYR A 57 -2.601 4.989 11.810 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.344 4.318 13.824 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.998 3.741 13.878 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.479 1.285 13.560 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.508 2.814 13.771 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.607 -1.023 13.722 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.382 0.514 13.941 1.00 0.00 H new ATOM 0 HH TYR A 57 0.935 -1.610 13.836 1.00 0.00 H new ATOM 610 N ILE A 58 -0.162 5.088 11.297 1.00 0.00 N ATOM 611 CA ILE A 58 1.139 5.370 10.650 1.00 0.00 C ATOM 612 C ILE A 58 2.232 5.570 11.713 1.00 0.00 C ATOM 613 O ILE A 58 2.102 6.430 12.582 1.00 0.00 O ATOM 614 CB ILE A 58 1.023 6.571 9.668 1.00 0.00 C ATOM 615 CG1 ILE A 58 2.367 7.110 9.165 1.00 0.00 C ATOM 616 CG2 ILE A 58 0.202 7.753 10.202 1.00 0.00 C ATOM 617 CD1 ILE A 58 3.102 6.265 8.127 1.00 0.00 C ATOM 0 H ILE A 58 -0.493 5.865 11.869 1.00 0.00 H new ATOM 0 HA ILE A 58 1.433 4.510 10.049 1.00 0.00 H new ATOM 0 HB ILE A 58 0.488 6.122 8.831 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.199 8.100 8.740 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.024 7.240 10.025 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.174 8.544 9.453 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.814 7.422 10.419 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.662 8.133 11.114 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.037 6.755 7.854 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.317 5.281 8.545 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.478 6.154 7.240 1.00 0.00 H new ATOM 619 N ASN A 59 3.361 4.902 11.486 1.00 0.00 N ATOM 620 CA ASN A 59 4.525 4.989 12.387 1.00 0.00 C ATOM 621 C ASN A 59 5.742 5.602 11.685 1.00 0.00 C ATOM 622 O ASN A 59 6.310 5.019 10.756 1.00 0.00 O ATOM 623 CB ASN A 59 4.889 3.610 12.961 1.00 0.00 C ATOM 624 CG ASN A 59 3.798 2.976 13.833 1.00 0.00 C ATOM 625 OD1 ASN A 59 2.789 3.564 14.195 1.00 0.00 O ATOM 626 ND2 ASN A 59 3.977 1.717 14.168 1.00 0.00 N ATOM 0 H ASN A 59 3.502 4.289 10.683 1.00 0.00 H new ATOM 0 HA ASN A 59 4.240 5.646 13.209 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.115 2.935 12.135 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.799 3.706 13.553 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.275 1.234 14.728 1.00 0.00 H new ATOM 0 HD22 ASN A 59 4.818 1.224 13.867 1.00 0.00 H new ATOM 630 N THR A 60 6.157 6.760 12.199 1.00 0.00 N ATOM 631 CA THR A 60 7.348 7.507 11.723 1.00 0.00 C ATOM 632 C THR A 60 8.678 6.892 12.228 1.00 0.00 C ATOM 633 O THR A 60 9.657 7.582 12.494 1.00 0.00 O ATOM 634 CB THR A 60 7.243 9.000 12.106 1.00 0.00 C ATOM 635 OG1 THR A 60 5.895 9.458 11.951 1.00 0.00 O ATOM 636 CG2 THR A 60 8.119 9.880 11.205 1.00 0.00 C ATOM 0 H THR A 60 5.676 7.222 12.970 1.00 0.00 H new ATOM 0 HA THR A 60 7.363 7.426 10.636 1.00 0.00 H new ATOM 0 HB THR A 60 7.575 9.080 13.141 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.841 10.405 12.198 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.018 10.923 11.506 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.161 9.574 11.300 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.801 9.769 10.168 1.00 0.00 H new ATOM 639 N GLU A 61 8.692 5.567 12.354 1.00 0.00 N ATOM 640 CA GLU A 61 9.899 4.784 12.682 1.00 0.00 C ATOM 641 C GLU A 61 10.630 4.262 11.439 1.00 0.00 C ATOM 642 O GLU A 61 11.856 4.222 11.409 1.00 0.00 O ATOM 643 CB GLU A 61 9.557 3.621 13.623 1.00 0.00 C ATOM 644 CG GLU A 61 9.668 4.020 15.098 1.00 0.00 C ATOM 645 CD GLU A 61 11.120 4.308 15.502 1.00 0.00 C ATOM 646 OE1 GLU A 61 11.820 3.323 15.826 1.00 0.00 O ATOM 647 OE2 GLU A 61 11.489 5.501 15.473 1.00 0.00 O ATOM 0 H GLU A 61 7.859 4.992 12.231 1.00 0.00 H new ATOM 0 HA GLU A 61 10.580 5.469 13.188 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.544 3.275 13.417 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.227 2.785 13.423 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.057 4.904 15.283 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.269 3.220 15.722 1.00 0.00 H new ATOM 649 N HIS A 62 9.850 3.756 10.485 1.00 0.00 N ATOM 650 CA HIS A 62 10.353 3.360 9.155 1.00 0.00 C ATOM 651 C HIS A 62 9.427 3.880 8.035 1.00 0.00 C ATOM 652 O HIS A 62 9.103 3.169 7.083 1.00 0.00 O ATOM 653 CB HIS A 62 10.515 1.833 9.161 1.00 0.00 C ATOM 654 CG HIS A 62 11.463 1.336 8.068 1.00 0.00 C ATOM 655 ND1 HIS A 62 11.117 0.597 7.020 1.00 0.00 N ATOM 656 CD2 HIS A 62 12.789 1.449 8.070 1.00 0.00 C ATOM 657 CE1 HIS A 62 12.232 0.226 6.396 1.00 0.00 C ATOM 658 NE2 HIS A 62 13.266 0.763 7.036 1.00 0.00 N ATOM 0 H HIS A 62 8.848 3.606 10.605 1.00 0.00 H new ATOM 0 HA HIS A 62 11.323 3.812 8.947 1.00 0.00 H new ATOM 0 HB2 HIS A 62 10.890 1.515 10.134 1.00 0.00 H new ATOM 0 HB3 HIS A 62 9.538 1.368 9.029 1.00 0.00 H new ATOM 0 HD2 HIS A 62 13.376 2.002 8.788 1.00 0.00 H new ATOM 0 HE1 HIS A 62 12.287 -0.403 5.520 1.00 0.00 H new ATOM 0 HE2 HIS A 62 14.249 0.666 6.780 1.00 0.00 H new ATOM 661 N LYS A 63 8.912 5.090 8.274 1.00 0.00 N ATOM 662 CA LYS A 63 7.966 5.855 7.423 1.00 0.00 C ATOM 663 C LYS A 63 6.860 4.990 6.771 1.00 0.00 C ATOM 664 O LYS A 63 6.484 5.132 5.605 1.00 0.00 O ATOM 665 CB LYS A 63 8.720 6.679 6.363 1.00 0.00 C ATOM 666 CG LYS A 63 9.874 7.599 6.786 1.00 0.00 C ATOM 667 CD LYS A 63 11.181 6.832 7.031 1.00 0.00 C ATOM 668 CE LYS A 63 12.425 7.713 6.894 1.00 0.00 C ATOM 669 NZ LYS A 63 12.719 8.012 5.482 1.00 0.00 N ATOM 0 H LYS A 63 9.155 5.604 9.121 1.00 0.00 H new ATOM 0 HA LYS A 63 7.446 6.534 8.099 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.117 5.978 5.629 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.984 7.297 5.849 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.037 8.350 6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.594 8.132 7.694 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.159 6.397 8.030 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.249 6.005 6.324 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.276 8.644 7.441 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.280 7.211 7.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.646 8.479 5.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.734 7.127 4.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.985 8.642 5.100 1.00 0.00 H new ATOM 674 N GLN A 64 6.253 4.141 7.598 1.00 0.00 N ATOM 675 CA GLN A 64 5.359 3.070 7.118 1.00 0.00 C ATOM 676 C GLN A 64 3.956 3.161 7.733 1.00 0.00 C ATOM 677 O GLN A 64 3.797 3.252 8.955 1.00 0.00 O ATOM 678 CB GLN A 64 6.006 1.723 7.462 1.00 0.00 C ATOM 679 CG GLN A 64 5.213 0.544 6.888 1.00 0.00 C ATOM 680 CD GLN A 64 5.179 -0.629 7.859 1.00 0.00 C ATOM 681 OE1 GLN A 64 5.778 -1.672 7.651 1.00 0.00 O ATOM 682 NE2 GLN A 64 4.375 -0.507 8.893 1.00 0.00 N ATOM 0 H GLN A 64 6.360 4.169 8.612 1.00 0.00 H new ATOM 0 HA GLN A 64 5.230 3.176 6.041 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.024 1.699 7.073 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.076 1.620 8.545 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.195 0.863 6.665 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.661 0.226 5.947 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.881 0.371 9.054 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.246 -1.290 9.534 1.00 0.00 H new ATOM 686 N LEU A 65 2.961 2.996 6.864 1.00 0.00 N ATOM 687 CA LEU A 65 1.543 2.976 7.261 1.00 0.00 C ATOM 688 C LEU A 65 1.010 1.540 7.332 1.00 0.00 C ATOM 689 O LEU A 65 1.395 0.660 6.562 1.00 0.00 O ATOM 690 CB LEU A 65 0.697 3.807 6.283 1.00 0.00 C ATOM 691 CG LEU A 65 -0.816 3.749 6.533 1.00 0.00 C ATOM 692 CD1 LEU A 65 -1.215 4.539 7.776 1.00 0.00 C ATOM 693 CD2 LEU A 65 -1.596 4.212 5.305 1.00 0.00 C ATOM 0 H LEU A 65 3.109 2.872 5.862 1.00 0.00 H new ATOM 0 HA LEU A 65 1.468 3.418 8.255 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.021 4.846 6.337 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.897 3.463 5.268 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.075 2.707 6.718 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.294 4.473 7.918 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.708 4.126 8.648 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.929 5.583 7.651 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.665 4.160 5.512 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.322 5.240 5.066 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.359 3.567 4.459 1.00 0.00 H new ATOM 695 N THR A 66 0.154 1.367 8.329 1.00 0.00 N ATOM 696 CA THR A 66 -0.652 0.153 8.549 1.00 0.00 C ATOM 697 C THR A 66 -2.117 0.553 8.316 1.00 0.00 C ATOM 698 O THR A 66 -2.568 1.621 8.744 1.00 0.00 O ATOM 699 CB THR A 66 -0.496 -0.417 9.974 1.00 0.00 C ATOM 700 OG1 THR A 66 -1.198 0.395 10.916 1.00 0.00 O ATOM 701 CG2 THR A 66 0.967 -0.543 10.412 1.00 0.00 C ATOM 0 H THR A 66 -0.011 2.085 9.035 1.00 0.00 H new ATOM 0 HA THR A 66 -0.318 -0.629 7.867 1.00 0.00 H new ATOM 0 HB THR A 66 -0.921 -1.421 9.949 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.968 0.113 11.826 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.011 -0.949 11.422 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.495 -1.209 9.730 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.438 0.440 10.396 1.00 0.00 H new ATOM 704 N LEU A 67 -2.804 -0.270 7.535 1.00 0.00 N ATOM 705 CA LEU A 67 -4.188 0.003 7.099 1.00 0.00 C ATOM 706 C LEU A 67 -4.915 -1.278 6.674 1.00 0.00 C ATOM 707 O LEU A 67 -4.266 -2.237 6.260 1.00 0.00 O ATOM 708 CB LEU A 67 -4.207 1.125 6.033 1.00 0.00 C ATOM 709 CG LEU A 67 -3.475 1.029 4.676 1.00 0.00 C ATOM 710 CD1 LEU A 67 -2.004 0.601 4.708 1.00 0.00 C ATOM 711 CD2 LEU A 67 -4.271 0.200 3.683 1.00 0.00 C ATOM 0 H LEU A 67 -2.427 -1.149 7.180 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.759 0.377 7.949 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.256 1.310 5.802 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.825 2.020 6.524 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.423 2.065 4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.611 0.574 3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.430 1.314 5.300 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.923 -0.390 5.155 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.732 0.149 2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.408 -0.807 4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.245 0.662 3.522 1.00 0.00 H new ATOM 713 N TYR A 68 -6.231 -1.315 6.883 1.00 0.00 N ATOM 714 CA TYR A 68 -7.018 -2.541 6.643 1.00 0.00 C ATOM 715 C TYR A 68 -8.079 -2.417 5.538 1.00 0.00 C ATOM 716 O TYR A 68 -8.652 -1.350 5.315 1.00 0.00 O ATOM 717 CB TYR A 68 -7.562 -3.086 7.982 1.00 0.00 C ATOM 718 CG TYR A 68 -9.083 -3.131 8.169 1.00 0.00 C ATOM 719 CD1 TYR A 68 -9.828 -4.125 7.546 1.00 0.00 C ATOM 720 CD2 TYR A 68 -9.732 -2.160 8.919 1.00 0.00 C ATOM 721 CE1 TYR A 68 -11.211 -4.147 7.657 1.00 0.00 C ATOM 722 CE2 TYR A 68 -11.114 -2.191 9.048 1.00 0.00 C ATOM 723 CZ TYR A 68 -11.853 -3.183 8.420 1.00 0.00 C ATOM 724 OH TYR A 68 -13.186 -3.271 8.644 1.00 0.00 O ATOM 0 H TYR A 68 -6.778 -0.521 7.215 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.338 -3.286 6.229 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -7.178 -4.098 8.113 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -7.143 -2.480 8.785 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -9.326 -4.888 6.970 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.162 -1.380 9.402 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -11.784 -4.910 7.152 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.616 -1.440 9.640 1.00 0.00 H new ATOM 0 HH TYR A 68 -13.475 -2.516 9.198 1.00 0.00 H new ATOM 731 N ASN A 69 -8.202 -3.511 4.788 1.00 0.00 N ATOM 732 CA ASN A 69 -9.226 -3.679 3.741 1.00 0.00 C ATOM 733 C ASN A 69 -10.581 -4.120 4.297 1.00 0.00 C ATOM 734 O ASN A 69 -10.754 -5.260 4.741 1.00 0.00 O ATOM 735 CB ASN A 69 -8.787 -4.668 2.652 1.00 0.00 C ATOM 736 CG ASN A 69 -9.415 -4.292 1.306 1.00 0.00 C ATOM 737 OD1 ASN A 69 -10.536 -3.814 1.222 1.00 0.00 O ATOM 738 ND2 ASN A 69 -8.676 -4.443 0.229 1.00 0.00 N ATOM 0 H ASN A 69 -7.589 -4.320 4.887 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.341 -2.689 3.300 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.700 -4.666 2.567 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.084 -5.680 2.929 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -9.038 -4.160 -0.682 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.741 -4.843 0.304 1.00 0.00 H new ATOM 742 N LYS A 70 -11.537 -3.228 4.071 1.00 0.00 N ATOM 743 CA LYS A 70 -12.946 -3.402 4.464 1.00 0.00 C ATOM 744 C LYS A 70 -13.811 -3.984 3.320 1.00 0.00 C ATOM 745 O LYS A 70 -15.026 -4.119 3.448 1.00 0.00 O ATOM 746 CB LYS A 70 -13.429 -2.018 4.917 1.00 0.00 C ATOM 747 CG LYS A 70 -14.711 -2.062 5.749 1.00 0.00 C ATOM 748 CD LYS A 70 -15.115 -0.651 6.175 1.00 0.00 C ATOM 749 CE LYS A 70 -16.449 -0.673 6.923 1.00 0.00 C ATOM 750 NZ LYS A 70 -16.862 0.689 7.286 1.00 0.00 N ATOM 0 H LYS A 70 -11.359 -2.341 3.600 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.040 -4.131 5.269 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.642 -1.541 5.501 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.597 -1.395 4.039 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.513 -2.518 5.169 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -14.560 -2.686 6.630 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.342 -0.223 6.813 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -15.195 -0.010 5.297 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -17.214 -1.136 6.300 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -16.358 -1.283 7.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.769 0.653 7.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.140 1.119 7.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.969 1.261 6.424 1.00 0.00 H new ATOM 755 N ASN A 71 -13.159 -4.400 2.231 1.00 0.00 N ATOM 756 CA ASN A 71 -13.819 -5.071 1.093 1.00 0.00 C ATOM 757 C ASN A 71 -13.869 -6.605 1.242 1.00 0.00 C ATOM 758 O ASN A 71 -14.835 -7.235 0.823 1.00 0.00 O ATOM 759 CB ASN A 71 -13.069 -4.665 -0.180 1.00 0.00 C ATOM 760 CG ASN A 71 -13.941 -4.667 -1.434 1.00 0.00 C ATOM 761 OD1 ASN A 71 -13.753 -5.433 -2.365 1.00 0.00 O ATOM 762 ND2 ASN A 71 -14.840 -3.711 -1.518 1.00 0.00 N ATOM 0 H ASN A 71 -12.153 -4.283 2.107 1.00 0.00 H new ATOM 0 HA ASN A 71 -14.861 -4.754 1.051 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -12.649 -3.669 -0.042 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.231 -5.346 -0.330 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -15.391 -3.602 -2.369 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -14.986 -3.078 -0.732 1.00 0.00 H new ATOM 766 N ASN A 72 -12.839 -7.173 1.876 1.00 0.00 N ATOM 767 CA ASN A 72 -12.727 -8.632 2.088 1.00 0.00 C ATOM 768 C ASN A 72 -13.331 -9.108 3.426 1.00 0.00 C ATOM 769 O ASN A 72 -14.125 -10.045 3.451 1.00 0.00 O ATOM 770 CB ASN A 72 -11.249 -9.032 1.997 1.00 0.00 C ATOM 771 CG ASN A 72 -11.044 -10.372 1.280 1.00 0.00 C ATOM 772 OD1 ASN A 72 -11.562 -10.629 0.206 1.00 0.00 O ATOM 773 ND2 ASN A 72 -10.164 -11.204 1.787 1.00 0.00 N ATOM 0 H ASN A 72 -12.057 -6.642 2.259 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.310 -9.122 1.308 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.698 -8.254 1.469 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.831 -9.094 3.002 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.919 -12.056 1.283 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.725 -10.998 2.684 1.00 0.00 H new ATOM 777 N SER A 73 -12.881 -8.482 4.517 1.00 0.00 N ATOM 778 CA SER A 73 -13.267 -8.768 5.923 1.00 0.00 C ATOM 779 C SER A 73 -12.447 -7.896 6.885 1.00 0.00 C ATOM 780 O SER A 73 -12.949 -6.918 7.434 1.00 0.00 O ATOM 781 CB SER A 73 -13.176 -10.254 6.325 1.00 0.00 C ATOM 782 OG SER A 73 -11.877 -10.809 6.071 1.00 0.00 O ATOM 0 H SER A 73 -12.203 -7.722 4.453 1.00 0.00 H new ATOM 0 HA SER A 73 -14.325 -8.516 5.996 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.411 -10.356 7.384 1.00 0.00 H new ATOM 0 HB3 SER A 73 -13.926 -10.823 5.775 1.00 0.00 H new ATOM 0 HG SER A 73 -11.865 -11.751 6.342 1.00 0.00 H new ATOM 785 N SER A 74 -11.171 -8.251 7.040 1.00 0.00 N ATOM 786 CA SER A 74 -10.188 -7.461 7.806 1.00 0.00 C ATOM 787 C SER A 74 -8.753 -7.848 7.429 1.00 0.00 C ATOM 788 O SER A 74 -8.199 -8.827 7.927 1.00 0.00 O ATOM 789 CB SER A 74 -10.413 -7.631 9.314 1.00 0.00 C ATOM 790 OG SER A 74 -10.112 -6.394 9.964 1.00 0.00 O ATOM 0 H SER A 74 -10.780 -9.102 6.636 1.00 0.00 H new ATOM 0 HA SER A 74 -10.332 -6.411 7.551 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.445 -7.921 9.512 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.778 -8.427 9.704 1.00 0.00 H new ATOM 0 HG SER A 74 -10.016 -5.687 9.293 1.00 0.00 H new ATOM 793 N ILE A 75 -8.260 -7.167 6.396 1.00 0.00 N ATOM 794 CA ILE A 75 -6.906 -7.400 5.845 1.00 0.00 C ATOM 795 C ILE A 75 -6.044 -6.149 6.085 1.00 0.00 C ATOM 796 O ILE A 75 -6.094 -5.188 5.317 1.00 0.00 O ATOM 797 CB ILE A 75 -6.944 -7.738 4.334 1.00 0.00 C ATOM 798 CG1 ILE A 75 -8.067 -8.707 3.909 1.00 0.00 C ATOM 799 CG2 ILE A 75 -5.573 -8.222 3.840 1.00 0.00 C ATOM 800 CD1 ILE A 75 -8.129 -10.073 4.607 1.00 0.00 C ATOM 0 H ILE A 75 -8.780 -6.436 5.910 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.473 -8.260 6.356 1.00 0.00 H new ATOM 0 HB ILE A 75 -7.190 -6.797 3.843 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.022 -8.205 4.067 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.973 -8.881 2.837 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.630 -8.452 2.776 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.831 -7.441 4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.284 -9.118 4.390 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -8.966 -10.647 4.209 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.200 -10.615 4.429 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -8.265 -9.928 5.679 1.00 0.00 H new ATOM 802 N VAL A 76 -5.224 -6.225 7.126 1.00 0.00 N ATOM 803 CA VAL A 76 -4.345 -5.121 7.549 1.00 0.00 C ATOM 804 C VAL A 76 -2.918 -5.339 7.024 1.00 0.00 C ATOM 805 O VAL A 76 -2.239 -6.316 7.331 1.00 0.00 O ATOM 806 CB VAL A 76 -4.444 -4.854 9.070 1.00 0.00 C ATOM 807 CG1 VAL A 76 -4.058 -6.048 9.949 1.00 0.00 C ATOM 808 CG2 VAL A 76 -3.669 -3.593 9.474 1.00 0.00 C ATOM 0 H VAL A 76 -5.143 -7.057 7.710 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.691 -4.194 7.092 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.504 -4.686 9.258 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.156 -5.773 10.999 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.717 -6.889 9.731 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.026 -6.333 9.743 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.762 -3.438 10.549 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.617 -3.713 9.214 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.077 -2.731 8.947 1.00 0.00 H new ATOM 810 N ILE A 77 -2.567 -4.458 6.101 1.00 0.00 N ATOM 811 CA ILE A 77 -1.275 -4.479 5.393 1.00 0.00 C ATOM 812 C ILE A 77 -0.445 -3.241 5.751 1.00 0.00 C ATOM 813 O ILE A 77 -0.979 -2.188 6.110 1.00 0.00 O ATOM 814 CB ILE A 77 -1.414 -4.663 3.860 1.00 0.00 C ATOM 815 CG1 ILE A 77 -2.059 -3.497 3.098 1.00 0.00 C ATOM 816 CG2 ILE A 77 -2.030 -6.029 3.516 1.00 0.00 C ATOM 817 CD1 ILE A 77 -3.517 -3.231 3.461 1.00 0.00 C ATOM 0 H ILE A 77 -3.174 -3.692 5.810 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.740 -5.364 5.739 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.391 -4.649 3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.480 -2.593 3.286 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.995 -3.699 2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.114 -6.128 2.434 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.393 -6.824 3.904 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.020 -6.105 3.966 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.890 -2.391 2.875 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.113 -4.118 3.245 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.590 -2.994 4.522 1.00 0.00 H new ATOM 819 N GLU A 78 0.866 -3.457 5.770 1.00 0.00 N ATOM 820 CA GLU A 78 1.846 -2.466 6.258 1.00 0.00 C ATOM 821 C GLU A 78 2.894 -2.191 5.175 1.00 0.00 C ATOM 822 O GLU A 78 3.648 -3.095 4.803 1.00 0.00 O ATOM 823 CB GLU A 78 2.540 -2.977 7.532 1.00 0.00 C ATOM 824 CG GLU A 78 1.589 -3.574 8.581 1.00 0.00 C ATOM 825 CD GLU A 78 2.263 -3.992 9.895 1.00 0.00 C ATOM 826 OE1 GLU A 78 3.493 -4.212 9.899 1.00 0.00 O ATOM 827 OE2 GLU A 78 1.520 -4.021 10.900 1.00 0.00 O ATOM 0 H GLU A 78 1.291 -4.326 5.448 1.00 0.00 H new ATOM 0 HA GLU A 78 1.317 -1.542 6.493 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.273 -3.734 7.252 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.090 -2.153 7.986 1.00 0.00 H new ATOM 0 HG2 GLU A 78 0.811 -2.843 8.804 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.094 -4.444 8.149 1.00 0.00 H new ATOM 829 N ILE A 79 2.787 -1.017 4.550 1.00 0.00 N ATOM 830 CA ILE A 79 3.653 -0.656 3.406 1.00 0.00 C ATOM 831 C ILE A 79 4.484 0.616 3.605 1.00 0.00 C ATOM 832 O ILE A 79 3.982 1.647 4.071 1.00 0.00 O ATOM 833 CB ILE A 79 2.913 -0.639 2.042 1.00 0.00 C ATOM 834 CG1 ILE A 79 1.812 0.423 1.914 1.00 0.00 C ATOM 835 CG2 ILE A 79 2.326 -2.023 1.774 1.00 0.00 C ATOM 836 CD1 ILE A 79 1.324 0.649 0.473 1.00 0.00 C ATOM 0 H ILE A 79 2.114 -0.296 4.809 1.00 0.00 H new ATOM 0 HA ILE A 79 4.368 -1.478 3.373 1.00 0.00 H new ATOM 0 HB ILE A 79 3.662 -0.369 1.298 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.964 0.128 2.532 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.184 1.367 2.313 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.805 -2.018 0.817 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.129 -2.760 1.746 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.625 -2.281 2.568 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.547 1.413 0.468 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.159 0.976 -0.147 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.920 -0.282 0.076 1.00 0.00 H new ATOM 838 N PHE A 80 5.767 0.517 3.253 1.00 0.00 N ATOM 839 CA PHE A 80 6.695 1.660 3.301 1.00 0.00 C ATOM 840 C PHE A 80 7.003 2.126 1.889 1.00 0.00 C ATOM 841 O PHE A 80 7.352 1.333 1.011 1.00 0.00 O ATOM 842 CB PHE A 80 8.011 1.366 4.058 1.00 0.00 C ATOM 843 CG PHE A 80 9.045 2.511 4.093 1.00 0.00 C ATOM 844 CD1 PHE A 80 8.707 3.853 3.918 1.00 0.00 C ATOM 845 CD2 PHE A 80 10.381 2.202 4.313 1.00 0.00 C ATOM 846 CE1 PHE A 80 9.675 4.846 3.907 1.00 0.00 C ATOM 847 CE2 PHE A 80 11.347 3.204 4.390 1.00 0.00 C ATOM 848 CZ PHE A 80 10.996 4.528 4.171 1.00 0.00 C ATOM 0 H PHE A 80 6.195 -0.350 2.928 1.00 0.00 H new ATOM 0 HA PHE A 80 6.190 2.445 3.864 1.00 0.00 H new ATOM 0 HB2 PHE A 80 7.763 1.096 5.085 1.00 0.00 H new ATOM 0 HB3 PHE A 80 8.481 0.494 3.604 1.00 0.00 H new ATOM 0 HD1 PHE A 80 7.670 4.124 3.788 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.676 1.169 4.426 1.00 0.00 H new ATOM 0 HE1 PHE A 80 9.398 5.868 3.692 1.00 0.00 H new ATOM 0 HE2 PHE A 80 12.371 2.949 4.621 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.747 5.304 4.206 1.00 0.00 H new ATOM 855 N ILE A 81 6.845 3.442 1.742 1.00 0.00 N ATOM 856 CA ILE A 81 7.032 4.198 0.507 1.00 0.00 C ATOM 857 C ILE A 81 8.238 5.139 0.718 1.00 0.00 C ATOM 858 O ILE A 81 8.063 6.214 1.302 1.00 0.00 O ATOM 859 CB ILE A 81 5.744 5.014 0.230 1.00 0.00 C ATOM 860 CG1 ILE A 81 4.412 4.298 0.511 1.00 0.00 C ATOM 861 CG2 ILE A 81 5.762 5.592 -1.178 1.00 0.00 C ATOM 862 CD1 ILE A 81 4.218 2.851 0.052 1.00 0.00 C ATOM 0 H ILE A 81 6.569 4.038 2.522 1.00 0.00 H new ATOM 0 HA ILE A 81 7.221 3.544 -0.344 1.00 0.00 H new ATOM 0 HB ILE A 81 5.774 5.816 0.968 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.250 4.322 1.589 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.620 4.893 0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.848 6.161 -1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.625 6.249 -1.291 1.00 0.00 H new ATOM 0 HG23 ILE A 81 5.826 4.781 -1.903 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.222 2.510 0.335 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.327 2.795 -1.031 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.967 2.216 0.525 1.00 0.00 H new ATOM 864 N PRO A 82 9.473 4.666 0.465 1.00 0.00 N ATOM 865 CA PRO A 82 10.694 5.467 0.624 1.00 0.00 C ATOM 866 C PRO A 82 10.887 6.400 -0.585 1.00 0.00 C ATOM 867 O PRO A 82 10.423 7.538 -0.572 1.00 0.00 O ATOM 868 CB PRO A 82 11.842 4.449 0.786 1.00 0.00 C ATOM 869 CG PRO A 82 11.170 3.085 0.928 1.00 0.00 C ATOM 870 CD PRO A 82 9.824 3.254 0.234 1.00 0.00 C ATOM 0 HA PRO A 82 10.652 6.126 1.491 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.508 4.469 -0.077 1.00 0.00 H new ATOM 0 HB3 PRO A 82 12.449 4.679 1.662 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.763 2.299 0.460 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.046 2.810 1.975 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.894 3.030 -0.830 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.073 2.583 0.652 1.00 0.00 H new ATOM 871 N ASN A 83 11.559 5.853 -1.601 1.00 0.00 N ATOM 872 CA ASN A 83 11.973 6.377 -2.917 1.00 0.00 C ATOM 873 C ASN A 83 13.185 5.512 -3.328 1.00 0.00 C ATOM 874 O ASN A 83 13.217 4.336 -2.968 1.00 0.00 O ATOM 875 CB ASN A 83 12.299 7.885 -2.931 1.00 0.00 C ATOM 876 CG ASN A 83 12.441 8.373 -4.379 1.00 0.00 C ATOM 877 OD1 ASN A 83 11.749 7.948 -5.291 1.00 0.00 O ATOM 878 ND2 ASN A 83 13.534 9.037 -4.678 1.00 0.00 N ATOM 0 H ASN A 83 11.874 4.887 -1.509 1.00 0.00 H new ATOM 0 HA ASN A 83 11.149 6.305 -3.627 1.00 0.00 H new ATOM 0 HB2 ASN A 83 11.510 8.442 -2.426 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.222 8.072 -2.382 1.00 0.00 H new ATOM 0 HD21 ASN A 83 13.788 9.188 -5.654 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.129 9.402 -3.934 1.00 0.00 H new ATOM 882 N ASP A 84 14.111 6.051 -4.133 1.00 0.00 N ATOM 883 CA ASP A 84 15.378 5.407 -4.543 1.00 0.00 C ATOM 884 C ASP A 84 15.192 3.968 -5.064 1.00 0.00 C ATOM 885 O ASP A 84 15.972 3.064 -4.775 1.00 0.00 O ATOM 886 CB ASP A 84 16.385 5.467 -3.382 1.00 0.00 C ATOM 887 CG ASP A 84 17.774 5.950 -3.819 1.00 0.00 C ATOM 888 OD1 ASP A 84 18.150 5.715 -4.989 1.00 0.00 O ATOM 889 OD2 ASP A 84 18.392 6.650 -2.989 1.00 0.00 O ATOM 0 H ASP A 84 13.999 6.982 -4.534 1.00 0.00 H new ATOM 0 HA ASP A 84 15.772 5.968 -5.391 1.00 0.00 H new ATOM 0 HB2 ASP A 84 16.001 6.133 -2.609 1.00 0.00 H new ATOM 0 HB3 ASP A 84 16.475 4.477 -2.934 1.00 0.00 H new ATOM 891 N ASN A 85 14.061 3.790 -5.749 1.00 0.00 N ATOM 892 CA ASN A 85 13.619 2.523 -6.364 1.00 0.00 C ATOM 893 C ASN A 85 13.520 1.399 -5.308 1.00 0.00 C ATOM 894 O ASN A 85 14.234 0.402 -5.365 1.00 0.00 O ATOM 895 CB ASN A 85 14.553 2.186 -7.548 1.00 0.00 C ATOM 896 CG ASN A 85 14.895 3.425 -8.395 1.00 0.00 C ATOM 897 OD1 ASN A 85 15.862 4.135 -8.164 1.00 0.00 O ATOM 898 ND2 ASN A 85 14.068 3.764 -9.355 1.00 0.00 N ATOM 0 H ASN A 85 13.397 4.550 -5.900 1.00 0.00 H new ATOM 0 HA ASN A 85 12.611 2.628 -6.765 1.00 0.00 H new ATOM 0 HB2 ASN A 85 15.474 1.744 -7.167 1.00 0.00 H new ATOM 0 HB3 ASN A 85 14.078 1.436 -8.181 1.00 0.00 H new ATOM 0 HD21 ASN A 85 14.236 4.611 -9.898 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.257 3.181 -9.559 1.00 0.00 H new ATOM 902 N LYS A 86 12.609 1.594 -4.345 1.00 0.00 N ATOM 903 CA LYS A 86 12.345 0.647 -3.234 1.00 0.00 C ATOM 904 C LYS A 86 10.963 0.878 -2.583 1.00 0.00 C ATOM 905 O LYS A 86 10.569 2.035 -2.465 1.00 0.00 O ATOM 906 CB LYS A 86 13.429 0.850 -2.163 1.00 0.00 C ATOM 907 CG LYS A 86 13.420 -0.230 -1.079 1.00 0.00 C ATOM 908 CD LYS A 86 14.145 0.262 0.174 1.00 0.00 C ATOM 909 CE LYS A 86 14.115 -0.801 1.273 1.00 0.00 C ATOM 910 NZ LYS A 86 14.637 -0.258 2.535 1.00 0.00 N ATOM 0 H LYS A 86 12.020 2.426 -4.308 1.00 0.00 H new ATOM 0 HA LYS A 86 12.358 -0.365 -3.640 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.407 0.864 -2.644 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.290 1.825 -1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.392 -0.496 -0.831 1.00 0.00 H new ATOM 0 HG3 LYS A 86 13.901 -1.133 -1.454 1.00 0.00 H new ATOM 0 HD2 LYS A 86 15.178 0.508 -0.072 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.676 1.177 0.535 1.00 0.00 H new ATOM 0 HE2 LYS A 86 13.094 -1.153 1.418 1.00 0.00 H new ATOM 0 HE3 LYS A 86 14.709 -1.663 0.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 14.608 -0.995 3.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 15.619 0.056 2.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 14.054 0.550 2.833 1.00 0.00 H new ATOM 915 N ILE A 87 10.281 -0.226 -2.235 1.00 0.00 N ATOM 916 CA ILE A 87 9.070 -0.325 -1.367 1.00 0.00 C ATOM 917 C ILE A 87 8.962 -1.723 -0.696 1.00 0.00 C ATOM 918 O ILE A 87 9.342 -2.734 -1.288 1.00 0.00 O ATOM 919 CB ILE A 87 7.763 0.086 -2.108 1.00 0.00 C ATOM 920 CG1 ILE A 87 7.667 1.620 -2.148 1.00 0.00 C ATOM 921 CG2 ILE A 87 6.464 -0.513 -1.535 1.00 0.00 C ATOM 922 CD1 ILE A 87 6.381 2.242 -2.695 1.00 0.00 C ATOM 0 H ILE A 87 10.573 -1.144 -2.571 1.00 0.00 H new ATOM 0 HA ILE A 87 9.195 0.404 -0.566 1.00 0.00 H new ATOM 0 HB ILE A 87 7.844 -0.335 -3.110 1.00 0.00 H new ATOM 0 HG12 ILE A 87 7.813 1.991 -1.133 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.499 1.992 -2.746 1.00 0.00 H new ATOM 0 HG21 ILE A 87 5.613 -0.165 -2.121 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.515 -1.601 -1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 87 6.344 -0.197 -0.499 1.00 0.00 H new ATOM 0 HD11 ILE A 87 6.459 3.329 -2.661 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.231 1.921 -3.726 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.535 1.920 -2.088 1.00 0.00 H new ATOM 924 N LEU A 88 8.330 -1.736 0.484 1.00 0.00 N ATOM 925 CA LEU A 88 7.968 -2.945 1.264 1.00 0.00 C ATOM 926 C LEU A 88 6.442 -3.078 1.501 1.00 0.00 C ATOM 927 O LEU A 88 5.763 -2.075 1.716 1.00 0.00 O ATOM 928 CB LEU A 88 8.682 -2.878 2.623 1.00 0.00 C ATOM 929 CG LEU A 88 8.461 -4.117 3.505 1.00 0.00 C ATOM 930 CD1 LEU A 88 9.333 -5.294 3.058 1.00 0.00 C ATOM 931 CD2 LEU A 88 8.676 -3.772 4.978 1.00 0.00 C ATOM 0 H LEU A 88 8.041 -0.874 0.947 1.00 0.00 H new ATOM 0 HA LEU A 88 8.279 -3.816 0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.751 -2.750 2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.336 -1.995 3.161 1.00 0.00 H new ATOM 0 HG LEU A 88 7.426 -4.436 3.386 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.148 -6.151 3.706 1.00 0.00 H new ATOM 0 HD12 LEU A 88 9.088 -5.558 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.384 -5.012 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.515 -4.661 5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.695 -3.412 5.123 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.972 -2.996 5.276 1.00 0.00 H new ATOM 933 N LEU A 89 5.964 -4.329 1.501 1.00 0.00 N ATOM 934 CA LEU A 89 4.588 -4.772 1.848 1.00 0.00 C ATOM 935 C LEU A 89 4.586 -5.938 2.846 1.00 0.00 C ATOM 936 O LEU A 89 5.317 -6.918 2.700 1.00 0.00 O ATOM 937 CB LEU A 89 3.819 -5.127 0.557 1.00 0.00 C ATOM 938 CG LEU A 89 2.471 -5.859 0.405 1.00 0.00 C ATOM 939 CD1 LEU A 89 2.615 -7.349 0.684 1.00 0.00 C ATOM 940 CD2 LEU A 89 1.314 -5.275 1.212 1.00 0.00 C ATOM 0 H LEU A 89 6.558 -5.117 1.244 1.00 0.00 H new ATOM 0 HA LEU A 89 4.080 -3.947 2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.680 -4.176 0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.523 -5.710 -0.037 1.00 0.00 H new ATOM 0 HG LEU A 89 2.199 -5.703 -0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.647 -7.836 0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.326 -7.784 -0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.975 -7.495 1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.413 -5.863 1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.561 -5.301 2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.141 -4.243 0.905 1.00 0.00 H new ATOM 942 N THR A 90 3.601 -5.833 3.732 1.00 0.00 N ATOM 943 CA THR A 90 3.252 -6.802 4.794 1.00 0.00 C ATOM 944 C THR A 90 1.762 -7.146 4.639 1.00 0.00 C ATOM 945 O THR A 90 0.981 -6.230 4.409 1.00 0.00 O ATOM 946 CB THR A 90 3.468 -6.106 6.155 1.00 0.00 C ATOM 947 OG1 THR A 90 4.830 -5.696 6.268 1.00 0.00 O ATOM 948 CG2 THR A 90 3.064 -6.925 7.387 1.00 0.00 C ATOM 0 H THR A 90 2.980 -5.024 3.738 1.00 0.00 H new ATOM 0 HA THR A 90 3.860 -7.705 4.730 1.00 0.00 H new ATOM 0 HB THR A 90 2.792 -5.251 6.154 1.00 0.00 H new ATOM 0 HG1 THR A 90 4.968 -5.253 7.131 1.00 0.00 H new ATOM 0 HG21 THR A 90 3.257 -6.344 8.289 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.003 -7.167 7.331 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.645 -7.847 7.418 1.00 0.00 H new ATOM 951 N ILE A 91 1.384 -8.401 4.888 1.00 0.00 N ATOM 952 CA ILE A 91 -0.028 -8.842 4.970 1.00 0.00 C ATOM 953 C ILE A 91 -0.259 -9.460 6.357 1.00 0.00 C ATOM 954 O ILE A 91 0.481 -10.343 6.789 1.00 0.00 O ATOM 955 CB ILE A 91 -0.428 -9.877 3.890 1.00 0.00 C ATOM 956 CG1 ILE A 91 -0.103 -9.406 2.474 1.00 0.00 C ATOM 957 CG2 ILE A 91 -1.926 -10.211 3.928 1.00 0.00 C ATOM 958 CD1 ILE A 91 1.098 -10.176 1.930 1.00 0.00 C ATOM 0 H ILE A 91 2.051 -9.157 5.042 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.648 -7.962 4.799 1.00 0.00 H new ATOM 0 HB ILE A 91 0.161 -10.763 4.129 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.966 -9.556 1.825 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.111 -8.337 2.478 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.156 -10.941 3.152 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.182 -10.626 4.903 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.505 -9.304 3.756 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.323 -9.834 0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.962 -10.004 2.572 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.868 -11.241 1.909 1.00 0.00 H new ATOM 960 N MET A 92 -1.345 -9.009 6.975 1.00 0.00 N ATOM 961 CA MET A 92 -1.850 -9.473 8.280 1.00 0.00 C ATOM 962 C MET A 92 -3.375 -9.251 8.302 1.00 0.00 C ATOM 963 O MET A 92 -3.936 -8.635 7.394 1.00 0.00 O ATOM 964 CB MET A 92 -1.147 -8.678 9.388 1.00 0.00 C ATOM 965 CG MET A 92 -1.222 -9.389 10.741 1.00 0.00 C ATOM 966 SD MET A 92 -1.995 -8.380 12.058 1.00 0.00 S ATOM 967 CE MET A 92 -0.732 -7.156 12.328 1.00 0.00 C ATOM 0 H MET A 92 -1.929 -8.278 6.570 1.00 0.00 H new ATOM 0 HA MET A 92 -1.646 -10.531 8.441 1.00 0.00 H new ATOM 0 HB2 MET A 92 -0.103 -8.524 9.117 1.00 0.00 H new ATOM 0 HB3 MET A 92 -1.603 -7.692 9.471 1.00 0.00 H new ATOM 0 HG2 MET A 92 -1.787 -10.314 10.625 1.00 0.00 H new ATOM 0 HG3 MET A 92 -0.215 -9.667 11.052 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.056 -6.465 13.106 1.00 0.00 H new ATOM 0 HE2 MET A 92 0.190 -7.647 12.639 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.555 -6.605 11.404 1.00 0.00 H new ATOM 969 N ASN A 93 -4.064 -9.846 9.275 1.00 0.00 N ATOM 970 CA ASN A 93 -5.538 -9.890 9.260 1.00 0.00 C ATOM 971 C ASN A 93 -6.083 -9.988 10.689 1.00 0.00 C ATOM 972 O ASN A 93 -5.759 -10.925 11.418 1.00 0.00 O ATOM 973 CB ASN A 93 -6.033 -11.127 8.490 1.00 0.00 C ATOM 974 CG ASN A 93 -5.173 -11.634 7.324 1.00 0.00 C ATOM 975 OD1 ASN A 93 -4.028 -12.038 7.468 1.00 0.00 O ATOM 976 ND2 ASN A 93 -5.762 -11.751 6.156 1.00 0.00 N ATOM 0 H ASN A 93 -3.636 -10.303 10.080 1.00 0.00 H new ATOM 0 HA ASN A 93 -5.889 -8.977 8.778 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.145 -11.943 9.204 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -7.027 -10.905 8.102 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.264 -12.177 5.374 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -6.717 -11.416 6.031 1.00 0.00 H new ATOM 980 N THR A 94 -6.972 -9.059 11.033 1.00 0.00 N ATOM 981 CA THR A 94 -7.604 -8.984 12.370 1.00 0.00 C ATOM 982 C THR A 94 -8.425 -10.243 12.714 1.00 0.00 C ATOM 983 O THR A 94 -8.516 -10.623 13.879 1.00 0.00 O ATOM 984 CB THR A 94 -8.526 -7.756 12.474 1.00 0.00 C ATOM 985 OG1 THR A 94 -8.075 -6.706 11.606 1.00 0.00 O ATOM 986 CG2 THR A 94 -8.598 -7.238 13.914 1.00 0.00 C ATOM 0 H THR A 94 -7.284 -8.327 10.395 1.00 0.00 H new ATOM 0 HA THR A 94 -6.783 -8.903 13.083 1.00 0.00 H new ATOM 0 HB THR A 94 -9.524 -8.069 12.166 1.00 0.00 H new ATOM 0 HG1 THR A 94 -8.776 -6.498 10.953 1.00 0.00 H new ATOM 0 HG21 THR A 94 -9.256 -6.370 13.956 1.00 0.00 H new ATOM 0 HG22 THR A 94 -8.988 -8.022 14.563 1.00 0.00 H new ATOM 0 HG23 THR A 94 -7.601 -6.953 14.248 1.00 0.00 H new ATOM 989 N GLU A 95 -9.107 -10.796 11.708 1.00 0.00 N ATOM 990 CA GLU A 95 -9.944 -12.011 11.838 1.00 0.00 C ATOM 991 C GLU A 95 -9.822 -13.022 10.678 1.00 0.00 C ATOM 992 O GLU A 95 -10.777 -13.714 10.326 1.00 0.00 O ATOM 993 CB GLU A 95 -11.398 -11.575 12.069 1.00 0.00 C ATOM 994 CG GLU A 95 -11.668 -11.340 13.560 1.00 0.00 C ATOM 995 CD GLU A 95 -12.733 -10.274 13.851 1.00 0.00 C ATOM 996 OE1 GLU A 95 -13.608 -10.046 12.985 1.00 0.00 O ATOM 997 OE2 GLU A 95 -12.619 -9.666 14.936 1.00 0.00 O ATOM 0 H GLU A 95 -9.099 -10.413 10.763 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.567 -12.570 12.695 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.601 -10.662 11.510 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.076 -12.339 11.688 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -11.980 -12.281 14.013 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -10.736 -11.047 14.044 1.00 0.00 H new ATOM 999 N ALA A 96 -8.607 -13.152 10.143 1.00 0.00 N ATOM 1000 CA ALA A 96 -8.303 -14.025 8.986 1.00 0.00 C ATOM 1001 C ALA A 96 -6.795 -14.362 8.940 1.00 0.00 C ATOM 1002 O ALA A 96 -6.082 -14.086 9.904 1.00 0.00 O ATOM 1003 CB ALA A 96 -8.805 -13.353 7.693 1.00 0.00 C ATOM 0 H ALA A 96 -7.791 -12.653 10.498 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.826 -14.976 9.089 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.582 -13.994 6.840 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -9.882 -13.197 7.758 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.306 -12.392 7.565 1.00 0.00 H new ATOM 1005 N LEU A 97 -6.304 -14.849 7.800 1.00 0.00 N ATOM 1006 CA LEU A 97 -4.911 -15.319 7.626 1.00 0.00 C ATOM 1007 C LEU A 97 -4.427 -15.195 6.170 1.00 0.00 C ATOM 1008 O LEU A 97 -5.100 -15.653 5.251 1.00 0.00 O ATOM 1009 CB LEU A 97 -4.737 -16.752 8.155 1.00 0.00 C ATOM 1010 CG LEU A 97 -5.887 -17.701 7.787 1.00 0.00 C ATOM 1011 CD1 LEU A 97 -5.362 -18.928 7.041 1.00 0.00 C ATOM 1012 CD2 LEU A 97 -6.642 -18.120 9.053 1.00 0.00 C ATOM 0 H LEU A 97 -6.865 -14.933 6.952 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.279 -14.661 8.222 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.804 -17.161 7.766 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.642 -16.718 9.240 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.575 -17.176 7.124 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -6.195 -19.586 6.791 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.862 -18.611 6.126 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.654 -19.463 7.674 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.456 -18.793 8.785 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.959 -18.630 9.732 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -7.049 -17.236 9.544 1.00 0.00 H new ATOM 1014 N GLY A 98 -3.480 -14.264 6.011 1.00 0.00 N ATOM 1015 CA GLY A 98 -2.836 -13.962 4.711 1.00 0.00 C ATOM 1016 C GLY A 98 -1.501 -14.681 4.443 1.00 0.00 C ATOM 1017 O GLY A 98 -1.088 -14.774 3.289 1.00 0.00 O ATOM 0 H GLY A 98 -3.131 -13.691 6.780 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.533 -14.219 3.913 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.667 -12.887 4.652 1.00 0.00 H new ATOM 1019 N THR A 99 -0.762 -14.959 5.519 1.00 0.00 N ATOM 1020 CA THR A 99 0.505 -15.739 5.542 1.00 0.00 C ATOM 1021 C THR A 99 1.423 -15.586 4.308 1.00 0.00 C ATOM 1022 O THR A 99 1.700 -16.522 3.560 1.00 0.00 O ATOM 1023 CB THR A 99 0.260 -17.209 5.956 1.00 0.00 C ATOM 1024 OG1 THR A 99 1.509 -17.897 6.053 1.00 0.00 O ATOM 1025 CG2 THR A 99 -0.712 -17.980 5.052 1.00 0.00 C ATOM 0 H THR A 99 -1.032 -14.637 6.448 1.00 0.00 H new ATOM 0 HA THR A 99 1.101 -15.270 6.325 1.00 0.00 H new ATOM 0 HB THR A 99 -0.232 -17.168 6.928 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.350 -18.827 6.317 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.821 -19.000 5.421 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.684 -17.486 5.058 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.323 -18.002 4.034 1.00 0.00 H new ATOM 1028 N SER A 100 1.887 -14.348 4.168 1.00 0.00 N ATOM 1029 CA SER A 100 2.790 -13.859 3.095 1.00 0.00 C ATOM 1030 C SER A 100 3.424 -12.445 3.268 1.00 0.00 C ATOM 1031 O SER A 100 3.859 -11.876 2.264 1.00 0.00 O ATOM 1032 CB SER A 100 2.053 -13.941 1.743 1.00 0.00 C ATOM 1033 OG SER A 100 0.753 -13.340 1.831 1.00 0.00 O ATOM 0 H SER A 100 1.639 -13.610 4.826 1.00 0.00 H new ATOM 0 HA SER A 100 3.652 -14.524 3.150 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.639 -13.438 0.974 1.00 0.00 H new ATOM 0 HB3 SER A 100 1.956 -14.983 1.440 1.00 0.00 H new ATOM 0 HG SER A 100 0.141 -13.950 2.294 1.00 0.00 H new ATOM 1036 N PRO A 101 3.615 -11.888 4.487 1.00 0.00 N ATOM 1037 CA PRO A 101 4.146 -10.516 4.661 1.00 0.00 C ATOM 1038 C PRO A 101 5.660 -10.378 4.403 1.00 0.00 C ATOM 1039 O PRO A 101 6.471 -10.432 5.326 1.00 0.00 O ATOM 1040 CB PRO A 101 3.771 -10.154 6.100 1.00 0.00 C ATOM 1041 CG PRO A 101 3.853 -11.475 6.851 1.00 0.00 C ATOM 1042 CD PRO A 101 3.347 -12.478 5.816 1.00 0.00 C ATOM 0 HA PRO A 101 3.719 -9.839 3.921 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.457 -9.416 6.516 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.770 -9.726 6.155 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.872 -11.699 7.168 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.234 -11.471 7.748 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.856 -13.436 5.924 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.282 -12.666 5.948 1.00 0.00 H new ATOM 1043 N ARG A 102 6.005 -10.243 3.124 1.00 0.00 N ATOM 1044 CA ARG A 102 7.395 -10.024 2.661 1.00 0.00 C ATOM 1045 C ARG A 102 7.426 -9.723 1.147 1.00 0.00 C ATOM 1046 O ARG A 102 7.692 -10.588 0.312 1.00 0.00 O ATOM 1047 CB ARG A 102 8.256 -11.263 2.965 1.00 0.00 C ATOM 1048 CG ARG A 102 9.747 -10.914 2.994 1.00 0.00 C ATOM 1049 CD ARG A 102 10.164 -10.344 4.353 1.00 0.00 C ATOM 1050 NE ARG A 102 10.673 -11.426 5.221 1.00 0.00 N ATOM 1051 CZ ARG A 102 11.898 -11.960 5.172 1.00 0.00 C ATOM 1052 NH1 ARG A 102 12.814 -11.540 4.309 1.00 0.00 N ATOM 1053 NH2 ARG A 102 12.225 -12.966 5.971 1.00 0.00 N ATOM 0 H ARG A 102 5.327 -10.281 2.363 1.00 0.00 H new ATOM 0 HA ARG A 102 7.802 -9.165 3.194 1.00 0.00 H new ATOM 0 HB2 ARG A 102 7.961 -11.686 3.925 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.074 -12.028 2.210 1.00 0.00 H new ATOM 0 HG2 ARG A 102 10.335 -11.806 2.777 1.00 0.00 H new ATOM 0 HG3 ARG A 102 9.967 -10.188 2.211 1.00 0.00 H new ATOM 0 HD2 ARG A 102 10.933 -9.584 4.217 1.00 0.00 H new ATOM 0 HD3 ARG A 102 9.313 -9.855 4.828 1.00 0.00 H new ATOM 0 HE ARG A 102 10.032 -11.799 5.921 1.00 0.00 H new ATOM 0 HH11 ARG A 102 12.593 -10.788 3.656 1.00 0.00 H new ATOM 0 HH12 ARG A 102 13.739 -11.969 4.298 1.00 0.00 H new ATOM 0 HH21 ARG A 102 11.540 -13.338 6.629 1.00 0.00 H new ATOM 0 HH22 ARG A 102 13.161 -13.368 5.928 1.00 0.00 H new ATOM 1060 N MET A 103 7.054 -8.496 0.806 1.00 0.00 N ATOM 1061 CA MET A 103 7.081 -8.054 -0.605 1.00 0.00 C ATOM 1062 C MET A 103 7.914 -6.774 -0.772 1.00 0.00 C ATOM 1063 O MET A 103 7.749 -5.813 -0.025 1.00 0.00 O ATOM 1064 CB MET A 103 5.642 -7.871 -1.087 1.00 0.00 C ATOM 1065 CG MET A 103 5.486 -7.901 -2.610 1.00 0.00 C ATOM 1066 SD MET A 103 3.753 -7.680 -3.162 1.00 0.00 S ATOM 1067 CE MET A 103 3.043 -9.246 -2.700 1.00 0.00 C ATOM 0 H MET A 103 6.733 -7.789 1.467 1.00 0.00 H new ATOM 0 HA MET A 103 7.565 -8.813 -1.220 1.00 0.00 H new ATOM 0 HB2 MET A 103 5.022 -8.656 -0.653 1.00 0.00 H new ATOM 0 HB3 MET A 103 5.262 -6.921 -0.712 1.00 0.00 H new ATOM 0 HG2 MET A 103 6.103 -7.116 -3.048 1.00 0.00 H new ATOM 0 HG3 MET A 103 5.863 -8.851 -2.989 1.00 0.00 H new ATOM 0 HE1 MET A 103 2.031 -9.318 -3.098 1.00 0.00 H new ATOM 0 HE2 MET A 103 3.651 -10.055 -3.105 1.00 0.00 H new ATOM 0 HE3 MET A 103 3.012 -9.325 -1.613 1.00 0.00 H new ATOM 1069 N THR A 104 8.878 -6.872 -1.677 1.00 0.00 N ATOM 1070 CA THR A 104 9.807 -5.774 -2.037 1.00 0.00 C ATOM 1071 C THR A 104 9.722 -5.398 -3.526 1.00 0.00 C ATOM 1072 O THR A 104 10.409 -5.933 -4.391 1.00 0.00 O ATOM 1073 CB THR A 104 11.249 -6.102 -1.630 1.00 0.00 C ATOM 1074 OG1 THR A 104 11.517 -7.500 -1.806 1.00 0.00 O ATOM 1075 CG2 THR A 104 11.534 -5.637 -0.201 1.00 0.00 C ATOM 0 H THR A 104 9.052 -7.730 -2.201 1.00 0.00 H new ATOM 0 HA THR A 104 9.489 -4.899 -1.470 1.00 0.00 H new ATOM 0 HB THR A 104 11.928 -5.555 -2.284 1.00 0.00 H new ATOM 0 HG1 THR A 104 12.442 -7.691 -1.543 1.00 0.00 H new ATOM 0 HG21 THR A 104 12.563 -5.882 0.063 1.00 0.00 H new ATOM 0 HG22 THR A 104 11.388 -4.559 -0.133 1.00 0.00 H new ATOM 0 HG23 THR A 104 10.854 -6.139 0.487 1.00 0.00 H new ATOM 1078 N PHE A 105 8.915 -4.375 -3.753 1.00 0.00 N ATOM 1079 CA PHE A 105 8.521 -3.906 -5.100 1.00 0.00 C ATOM 1080 C PHE A 105 9.110 -2.518 -5.340 1.00 0.00 C ATOM 1081 O PHE A 105 8.739 -1.521 -4.726 1.00 0.00 O ATOM 1082 CB PHE A 105 7.012 -3.984 -5.393 1.00 0.00 C ATOM 1083 CG PHE A 105 6.077 -3.721 -4.207 1.00 0.00 C ATOM 1084 CD1 PHE A 105 6.233 -4.467 -3.050 1.00 0.00 C ATOM 1085 CD2 PHE A 105 5.139 -2.700 -4.238 1.00 0.00 C ATOM 1086 CE1 PHE A 105 5.533 -4.145 -1.909 1.00 0.00 C ATOM 1087 CE2 PHE A 105 4.367 -2.436 -3.111 1.00 0.00 C ATOM 1088 CZ PHE A 105 4.578 -3.141 -1.937 1.00 0.00 C ATOM 0 H PHE A 105 8.499 -3.826 -3.000 1.00 0.00 H new ATOM 0 HA PHE A 105 8.943 -4.603 -5.824 1.00 0.00 H new ATOM 0 HB2 PHE A 105 6.778 -3.266 -6.179 1.00 0.00 H new ATOM 0 HB3 PHE A 105 6.791 -4.975 -5.790 1.00 0.00 H new ATOM 0 HD1 PHE A 105 6.910 -5.309 -3.043 1.00 0.00 H new ATOM 0 HD2 PHE A 105 5.008 -2.112 -5.134 1.00 0.00 H new ATOM 0 HE1 PHE A 105 5.729 -4.676 -0.989 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.599 -1.678 -3.151 1.00 0.00 H new ATOM 0 HZ PHE A 105 4.004 -2.910 -1.052 1.00 0.00 H new ATOM 1095 N ILE A 106 10.269 -2.643 -5.955 1.00 0.00 N ATOM 1096 CA ILE A 106 11.227 -1.538 -6.152 1.00 0.00 C ATOM 1097 C ILE A 106 11.141 -1.064 -7.616 1.00 0.00 C ATOM 1098 O ILE A 106 10.783 -1.844 -8.498 1.00 0.00 O ATOM 1099 CB ILE A 106 12.640 -1.988 -5.717 1.00 0.00 C ATOM 1100 CG1 ILE A 106 13.330 -2.960 -6.686 1.00 0.00 C ATOM 1101 CG2 ILE A 106 12.622 -2.578 -4.291 1.00 0.00 C ATOM 1102 CD1 ILE A 106 14.853 -2.923 -6.512 1.00 0.00 C ATOM 0 H ILE A 106 10.592 -3.528 -6.345 1.00 0.00 H new ATOM 0 HA ILE A 106 10.982 -0.680 -5.526 1.00 0.00 H new ATOM 0 HB ILE A 106 13.240 -1.078 -5.732 1.00 0.00 H new ATOM 0 HG12 ILE A 106 12.965 -3.972 -6.512 1.00 0.00 H new ATOM 0 HG13 ILE A 106 13.072 -2.700 -7.713 1.00 0.00 H new ATOM 0 HG21 ILE A 106 13.630 -2.886 -4.012 1.00 0.00 H new ATOM 0 HG22 ILE A 106 12.266 -1.824 -3.590 1.00 0.00 H new ATOM 0 HG23 ILE A 106 11.958 -3.442 -4.263 1.00 0.00 H new ATOM 0 HD11 ILE A 106 15.316 -3.620 -7.210 1.00 0.00 H new ATOM 0 HD12 ILE A 106 15.218 -1.915 -6.711 1.00 0.00 H new ATOM 0 HD13 ILE A 106 15.110 -3.207 -5.491 1.00 0.00 H new ATOM 1104 N LYS A 107 11.385 0.225 -7.840 1.00 0.00 N ATOM 1105 CA LYS A 107 11.225 0.854 -9.174 1.00 0.00 C ATOM 1106 C LYS A 107 12.400 0.496 -10.102 1.00 0.00 C ATOM 1107 O LYS A 107 13.157 1.358 -10.547 1.00 0.00 O ATOM 1108 CB LYS A 107 11.016 2.368 -9.016 1.00 0.00 C ATOM 1109 CG LYS A 107 9.815 2.867 -9.827 1.00 0.00 C ATOM 1110 CD LYS A 107 10.135 3.063 -11.313 1.00 0.00 C ATOM 1111 CE LYS A 107 8.872 3.219 -12.166 1.00 0.00 C ATOM 1112 NZ LYS A 107 8.025 4.352 -11.756 1.00 0.00 N ATOM 0 H LYS A 107 11.698 0.870 -7.115 1.00 0.00 H new ATOM 0 HA LYS A 107 10.334 0.455 -9.658 1.00 0.00 H new ATOM 0 HB2 LYS A 107 10.867 2.606 -7.963 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.915 2.894 -9.337 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.996 2.155 -9.728 1.00 0.00 H new ATOM 0 HG3 LYS A 107 9.468 3.812 -9.408 1.00 0.00 H new ATOM 0 HD2 LYS A 107 10.763 3.946 -11.433 1.00 0.00 H new ATOM 0 HD3 LYS A 107 10.711 2.211 -11.674 1.00 0.00 H new ATOM 0 HE2 LYS A 107 9.161 3.350 -13.209 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.289 2.300 -12.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 7.215 4.432 -12.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 7.680 4.195 -10.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 8.581 5.230 -11.787 1.00 0.00 H new ATOM 1117 N HIS A 108 12.327 -0.766 -10.520 1.00 0.00 N ATOM 1118 CA HIS A 108 13.313 -1.551 -11.303 1.00 0.00 C ATOM 1119 C HIS A 108 14.464 -2.032 -10.404 1.00 0.00 C ATOM 1120 O HIS A 108 15.052 -1.266 -9.644 1.00 0.00 O ATOM 1121 CB HIS A 108 13.892 -0.805 -12.517 1.00 0.00 C ATOM 1122 CG HIS A 108 12.844 -0.040 -13.336 1.00 0.00 C ATOM 1123 ND1 HIS A 108 12.908 1.260 -13.607 1.00 0.00 N ATOM 1124 CD2 HIS A 108 11.709 -0.509 -13.850 1.00 0.00 C ATOM 1125 CE1 HIS A 108 11.819 1.592 -14.292 1.00 0.00 C ATOM 1126 NE2 HIS A 108 11.074 0.500 -14.440 1.00 0.00 N ATOM 0 H HIS A 108 11.504 -1.329 -10.305 1.00 0.00 H new ATOM 0 HA HIS A 108 12.755 -2.401 -11.695 1.00 0.00 H new ATOM 0 HB2 HIS A 108 14.651 -0.103 -12.171 1.00 0.00 H new ATOM 0 HB3 HIS A 108 14.393 -1.523 -13.167 1.00 0.00 H new ATOM 0 HD1 HIS A 108 13.661 1.892 -13.336 1.00 0.00 H new ATOM 0 HD2 HIS A 108 11.364 -1.531 -13.797 1.00 0.00 H new ATOM 0 HE1 HIS A 108 11.580 2.577 -14.664 1.00 0.00 H new ATOM 1129 N LYS A 109 14.687 -3.343 -10.445 1.00 0.00 N ATOM 1130 CA LYS A 109 15.755 -4.027 -9.676 1.00 0.00 C ATOM 1131 C LYS A 109 17.179 -3.555 -10.048 1.00 0.00 C ATOM 1132 O LYS A 109 18.017 -3.484 -9.123 1.00 99.99 O ATOM 1133 CG LYS A 109 16.373 -6.400 -8.865 1.00 0.00 C ATOM 1134 CD LYS A 109 15.663 -6.456 -7.507 1.00 0.00 C ATOM 1135 CE LYS A 109 16.462 -7.288 -6.499 1.00 0.00 C ATOM 1136 NZ LYS A 109 15.752 -7.401 -5.215 1.00 0.00 N ATOM 1137 OXT LYS A 109 17.403 -3.316 -11.257 1.00 99.99 O ATOM 0 H LYS A 109 14.131 -3.979 -11.016 1.00 0.00 H new ATOM 0 HD2 LYS A 109 15.528 -5.445 -7.122 1.00 0.00 H new ATOM 0 HD3 LYS A 109 14.669 -6.886 -7.631 1.00 0.00 H new ATOM 0 HE2 LYS A 109 16.641 -8.283 -6.907 1.00 0.00 H new ATOM 0 HE3 LYS A 109 17.438 -6.829 -6.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 16.319 -7.970 -4.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 15.603 -6.452 -4.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 14.832 -7.861 -5.367 1.00 0.00 H new TER 1142 LYS A 109