USER MOD reduce.3.24.130724 H: found=0, std=0, add=943, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 942 hydrogens (6 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 126 HC4HO4' : A 126 HC4 O4' : A 126 HC4 C4' :(short bond) USER MOD Set 1.1: A 78 LYS NZ :NH3+ 142:sc= -0.328 (180deg=-1.59!) USER MOD Set 1.2: A 90 THR OG1 : rot 120:sc= -0.257 USER MOD Set 2.1: A 38 ASN : amide:sc= -2.02 K(o=-3,f=-1.5) USER MOD Set 2.2: A 61 ASN : amide:sc= -1.01 K(o=-3,f=-1.5) USER MOD Set 3.1: A 50 THR OG1 : rot -126:sc= -0.513 USER MOD Set 3.2: A 98 TYR OH : rot -1:sc= 0.602 USER MOD Set 4.1: A 18 MET CE :methyl -151:sc= -0.0411 (180deg=-0.333) USER MOD Set 4.2: A 41 GLN : amide:sc= -8.14! C(o=-8.2!,f=-7.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 162:sc=0.000689 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.163 X(o=-0.16,f=-0.053) USER MOD Single : A 8 SER OG : rot 126:sc= 0.795 USER MOD Single : A 13 ASN : amide:sc= -1.23 K(o=-1.2,f=-3.7!) USER MOD Single : A 14 THR OG1 : rot 160:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -1.69! C(o=-1.7!,f=-4.4!) USER MOD Single : A 32 GLN : amide:sc= -0.936 K(o=-0.94,f=-5.7!) USER MOD Single : A 42 TYR OH : rot 149:sc= -3.52! USER MOD Single : A 43 ASN : amide:sc= -9.53! C(o=-9.5!,f=-15!) USER MOD Single : A 55 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.127) USER MOD Single : A 56 GLN : amide:sc= -0.126 K(o=-0.13,f=-1.4!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -70:sc= -1.32! USER MOD Single : A 72 SER OG : rot 180:sc= -0.413 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -3.25! C(o=-3.3!,f=-2.6!) USER MOD Single : A 89 ASN : amide:sc= -2.28 K(o=-2.3,f=-6.1!) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot -159:sc= -0.442 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0637 USER MOD Single : A 99 GLN : amide:sc= -1.73 K(o=-1.7,f=-2.9!) USER MOD Single : A 100 MET CE :methyl -153:sc= -3.68! (180deg=-6.45!) USER MOD Single : A 101 THR OG1 : rot 75:sc= 0.0585 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.959 K(o=-0.96,f=-0.3) USER MOD Single : A 109 MET CE :methyl -129:sc= -2.9 (180deg=-4.47!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= -0.342 USER MOD Single : A 118 TYR OH : rot 180:sc= -1.72! USER MOD Single : A 123 LYS NZ :NH3+ 164:sc= -4.19! (180deg=-4.63!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.639 -1.223 15.316 1.00 0.00 N ATOM 2 CA MET A 1 13.319 -2.311 16.072 1.00 0.00 C ATOM 3 C MET A 1 12.819 -3.670 15.576 1.00 0.00 C ATOM 4 O MET A 1 11.795 -3.766 14.927 1.00 0.00 O ATOM 5 CB MET A 1 13.008 -2.168 17.564 1.00 0.00 C ATOM 6 CG MET A 1 14.280 -2.408 18.377 1.00 0.00 C ATOM 7 SD MET A 1 14.238 -4.074 19.085 1.00 0.00 S ATOM 8 CE MET A 1 14.769 -3.627 20.755 1.00 0.00 C ATOM 0 H1 MET A 1 12.734 -0.327 15.836 1.00 0.00 H new ATOM 0 H2 MET A 1 13.076 -1.127 14.377 1.00 0.00 H new ATOM 0 H3 MET A 1 11.631 -1.454 15.206 1.00 0.00 H new ATOM 0 HA MET A 1 14.396 -2.241 15.916 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.615 -1.173 17.770 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.238 -2.882 17.856 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.158 -2.293 17.741 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.362 -1.666 19.171 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.813 -4.523 21.375 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.756 -3.166 20.712 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.058 -2.922 21.186 1.00 0.00 H new ATOM 20 N GLU A 2 13.531 -4.720 15.878 1.00 0.00 N ATOM 21 CA GLU A 2 13.099 -6.074 15.430 1.00 0.00 C ATOM 22 C GLU A 2 12.973 -6.101 13.898 1.00 0.00 C ATOM 23 O GLU A 2 13.935 -6.352 13.198 1.00 0.00 O ATOM 24 CB GLU A 2 11.755 -6.421 16.084 1.00 0.00 C ATOM 25 CG GLU A 2 11.247 -7.761 15.543 1.00 0.00 C ATOM 26 CD GLU A 2 10.411 -8.460 16.616 1.00 0.00 C ATOM 27 OE1 GLU A 2 9.662 -7.777 17.294 1.00 0.00 O ATOM 28 OE2 GLU A 2 10.535 -9.667 16.740 1.00 0.00 O ATOM 0 H GLU A 2 14.396 -4.699 16.418 1.00 0.00 H new ATOM 0 HA GLU A 2 13.842 -6.813 15.730 1.00 0.00 H new ATOM 0 HB2 GLU A 2 11.870 -6.475 17.167 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.027 -5.636 15.880 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.647 -7.600 14.647 1.00 0.00 H new ATOM 0 HG3 GLU A 2 12.088 -8.391 15.254 1.00 0.00 H new ATOM 35 N HIS A 3 11.803 -5.854 13.364 1.00 0.00 N ATOM 36 CA HIS A 3 11.644 -5.881 11.882 1.00 0.00 C ATOM 37 C HIS A 3 12.485 -4.765 11.256 1.00 0.00 C ATOM 38 O HIS A 3 13.121 -3.993 11.944 1.00 0.00 O ATOM 39 CB HIS A 3 10.172 -5.678 11.521 1.00 0.00 C ATOM 40 CG HIS A 3 9.543 -7.012 11.221 1.00 0.00 C ATOM 41 ND1 HIS A 3 8.482 -7.148 10.341 1.00 0.00 N ATOM 42 CD2 HIS A 3 9.812 -8.277 11.682 1.00 0.00 C ATOM 43 CE1 HIS A 3 8.153 -8.452 10.299 1.00 0.00 C ATOM 44 NE2 HIS A 3 8.933 -9.185 11.099 1.00 0.00 N ATOM 0 H HIS A 3 10.956 -5.636 13.889 1.00 0.00 H new ATOM 0 HA HIS A 3 11.980 -6.845 11.499 1.00 0.00 H new ATOM 0 HB2 HIS A 3 9.648 -5.193 12.344 1.00 0.00 H new ATOM 0 HB3 HIS A 3 10.085 -5.020 10.656 1.00 0.00 H new ATOM 0 HD2 HIS A 3 10.588 -8.529 12.390 1.00 0.00 H new ATOM 0 HE1 HIS A 3 7.356 -8.857 9.693 1.00 0.00 H new ATOM 0 HE2 HIS A 3 8.893 -10.193 11.250 1.00 0.00 H new ATOM 52 N VAL A 4 12.495 -4.677 9.952 1.00 0.00 N ATOM 53 CA VAL A 4 13.299 -3.616 9.284 1.00 0.00 C ATOM 54 C VAL A 4 12.578 -2.263 9.415 1.00 0.00 C ATOM 55 O VAL A 4 11.737 -2.077 10.272 1.00 0.00 O ATOM 56 CB VAL A 4 13.526 -4.011 7.804 1.00 0.00 C ATOM 57 CG1 VAL A 4 12.403 -3.487 6.897 1.00 0.00 C ATOM 58 CG2 VAL A 4 14.866 -3.446 7.328 1.00 0.00 C ATOM 0 H VAL A 4 11.981 -5.294 9.323 1.00 0.00 H new ATOM 0 HA VAL A 4 14.274 -3.516 9.761 1.00 0.00 H new ATOM 0 HB VAL A 4 13.528 -5.099 7.743 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.599 -3.785 5.867 1.00 0.00 H new ATOM 0 HG12 VAL A 4 11.449 -3.904 7.221 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.363 -2.400 6.959 1.00 0.00 H new ATOM 0 HG21 VAL A 4 15.028 -3.723 6.286 1.00 0.00 H new ATOM 0 HG22 VAL A 4 14.855 -2.360 7.417 1.00 0.00 H new ATOM 0 HG23 VAL A 4 15.671 -3.852 7.941 1.00 0.00 H new ATOM 68 N ALA A 5 12.914 -1.322 8.580 1.00 0.00 N ATOM 69 CA ALA A 5 12.269 0.022 8.655 1.00 0.00 C ATOM 70 C ALA A 5 10.963 0.034 7.866 1.00 0.00 C ATOM 71 O ALA A 5 10.918 -0.399 6.732 1.00 0.00 O ATOM 72 CB ALA A 5 13.200 1.055 8.021 1.00 0.00 C ATOM 0 H ALA A 5 13.612 -1.424 7.843 1.00 0.00 H new ATOM 0 HA ALA A 5 12.071 0.253 9.702 1.00 0.00 H new ATOM 0 HB1 ALA A 5 12.737 2.041 8.071 1.00 0.00 H new ATOM 0 HB2 ALA A 5 14.147 1.071 8.560 1.00 0.00 H new ATOM 0 HB3 ALA A 5 13.380 0.791 6.979 1.00 0.00 H new ATOM 78 N PHE A 6 9.908 0.571 8.425 1.00 0.00 N ATOM 79 CA PHE A 6 8.648 0.644 7.641 1.00 0.00 C ATOM 80 C PHE A 6 8.911 1.595 6.479 1.00 0.00 C ATOM 81 O PHE A 6 8.799 1.234 5.324 1.00 0.00 O ATOM 82 CB PHE A 6 7.494 1.184 8.486 1.00 0.00 C ATOM 83 CG PHE A 6 6.175 0.680 7.923 1.00 0.00 C ATOM 84 CD1 PHE A 6 6.077 0.250 6.582 1.00 0.00 C ATOM 85 CD2 PHE A 6 5.044 0.640 8.746 1.00 0.00 C ATOM 86 CE1 PHE A 6 4.861 -0.214 6.082 1.00 0.00 C ATOM 87 CE2 PHE A 6 3.829 0.173 8.238 1.00 0.00 C ATOM 88 CZ PHE A 6 3.741 -0.252 6.907 1.00 0.00 C ATOM 0 H PHE A 6 9.867 0.953 9.370 1.00 0.00 H new ATOM 0 HA PHE A 6 8.363 -0.351 7.300 1.00 0.00 H new ATOM 0 HB2 PHE A 6 7.606 0.863 9.522 1.00 0.00 H new ATOM 0 HB3 PHE A 6 7.509 2.274 8.487 1.00 0.00 H new ATOM 0 HD1 PHE A 6 6.946 0.281 5.942 1.00 0.00 H new ATOM 0 HD2 PHE A 6 5.110 0.970 9.772 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.788 -0.543 5.056 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.956 0.140 8.873 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.799 -0.611 6.519 1.00 0.00 H new ATOM 98 N GLY A 7 9.315 2.807 6.781 1.00 0.00 N ATOM 99 CA GLY A 7 9.646 3.771 5.691 1.00 0.00 C ATOM 100 C GLY A 7 10.679 3.104 4.784 1.00 0.00 C ATOM 101 O GLY A 7 10.761 3.374 3.605 1.00 0.00 O ATOM 0 H GLY A 7 9.428 3.165 7.729 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.751 4.032 5.126 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.042 4.698 6.106 1.00 0.00 H new ATOM 105 N SER A 8 11.442 2.199 5.343 1.00 0.00 N ATOM 106 CA SER A 8 12.453 1.446 4.555 1.00 0.00 C ATOM 107 C SER A 8 13.253 2.358 3.632 1.00 0.00 C ATOM 108 O SER A 8 13.260 3.562 3.762 1.00 0.00 O ATOM 109 CB SER A 8 11.728 0.400 3.713 1.00 0.00 C ATOM 110 OG SER A 8 12.255 -0.888 4.004 1.00 0.00 O ATOM 0 H SER A 8 11.403 1.949 6.331 1.00 0.00 H new ATOM 0 HA SER A 8 13.152 0.981 5.250 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.659 0.424 3.925 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.848 0.623 2.653 1.00 0.00 H new ATOM 0 HG SER A 8 11.525 -1.490 4.260 1.00 0.00 H new ATOM 116 N GLU A 9 13.934 1.743 2.708 1.00 0.00 N ATOM 117 CA GLU A 9 14.784 2.466 1.721 1.00 0.00 C ATOM 118 C GLU A 9 13.942 3.423 0.868 1.00 0.00 C ATOM 119 O GLU A 9 13.591 3.084 -0.244 1.00 0.00 O ATOM 120 CB GLU A 9 15.403 1.409 0.803 1.00 0.00 C ATOM 121 CG GLU A 9 16.925 1.418 0.951 1.00 0.00 C ATOM 122 CD GLU A 9 17.323 0.594 2.176 1.00 0.00 C ATOM 123 OE1 GLU A 9 16.706 0.774 3.213 1.00 0.00 O ATOM 124 OE2 GLU A 9 18.238 -0.203 2.057 1.00 0.00 O ATOM 0 H GLU A 9 13.936 0.730 2.592 1.00 0.00 H new ATOM 0 HA GLU A 9 15.541 3.050 2.243 1.00 0.00 H new ATOM 0 HB2 GLU A 9 15.010 0.423 1.053 1.00 0.00 H new ATOM 0 HB3 GLU A 9 15.128 1.609 -0.233 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.391 1.006 0.056 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.285 2.442 1.055 1.00 0.00 H new ATOM 131 N ASP A 10 13.634 4.615 1.367 1.00 0.00 N ATOM 132 CA ASP A 10 12.815 5.619 0.580 1.00 0.00 C ATOM 133 C ASP A 10 11.910 4.897 -0.422 1.00 0.00 C ATOM 134 O ASP A 10 12.208 4.823 -1.597 1.00 0.00 O ATOM 135 CB ASP A 10 13.758 6.556 -0.177 1.00 0.00 C ATOM 136 CG ASP A 10 14.449 7.497 0.811 1.00 0.00 C ATOM 137 OD1 ASP A 10 13.784 7.955 1.726 1.00 0.00 O ATOM 138 OD2 ASP A 10 15.630 7.745 0.637 1.00 0.00 O ATOM 0 H ASP A 10 13.918 4.936 2.293 1.00 0.00 H new ATOM 0 HA ASP A 10 12.195 6.190 1.271 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.502 5.976 -0.723 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.199 7.133 -0.914 1.00 0.00 H new ATOM 143 N ILE A 11 10.834 4.326 0.037 1.00 0.00 N ATOM 144 CA ILE A 11 9.963 3.576 -0.886 1.00 0.00 C ATOM 145 C ILE A 11 9.483 4.485 -2.003 1.00 0.00 C ATOM 146 O ILE A 11 9.836 4.310 -3.141 1.00 0.00 O ATOM 147 CB ILE A 11 8.737 3.019 -0.178 1.00 0.00 C ATOM 148 CG1 ILE A 11 8.944 2.793 1.322 1.00 0.00 C ATOM 149 CG2 ILE A 11 8.373 1.693 -0.819 1.00 0.00 C ATOM 150 CD1 ILE A 11 10.102 1.833 1.541 1.00 0.00 C ATOM 0 H ILE A 11 10.526 4.350 1.009 1.00 0.00 H new ATOM 0 HA ILE A 11 10.554 2.750 -1.282 1.00 0.00 H new ATOM 0 HB ILE A 11 7.944 3.760 -0.282 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.147 3.742 1.818 1.00 0.00 H new ATOM 0 HG13 ILE A 11 8.035 2.389 1.767 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.495 1.278 -0.324 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.154 1.848 -1.876 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.208 0.999 -0.719 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.246 1.675 2.610 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.881 0.880 1.060 1.00 0.00 H new ATOM 0 HD13 ILE A 11 11.010 2.255 1.111 1.00 0.00 H new ATOM 162 N GLU A 12 8.647 5.432 -1.681 1.00 0.00 N ATOM 163 CA GLU A 12 8.077 6.341 -2.718 1.00 0.00 C ATOM 164 C GLU A 12 9.112 6.727 -3.789 1.00 0.00 C ATOM 165 O GLU A 12 8.764 6.990 -4.924 1.00 0.00 O ATOM 166 CB GLU A 12 7.549 7.609 -2.046 1.00 0.00 C ATOM 167 CG GLU A 12 8.630 8.196 -1.136 1.00 0.00 C ATOM 168 CD GLU A 12 9.086 9.547 -1.689 1.00 0.00 C ATOM 169 OE1 GLU A 12 9.486 9.589 -2.841 1.00 0.00 O ATOM 170 OE2 GLU A 12 9.029 10.517 -0.952 1.00 0.00 O ATOM 0 H GLU A 12 8.329 5.618 -0.730 1.00 0.00 H new ATOM 0 HA GLU A 12 7.270 5.805 -3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.259 8.339 -2.801 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.656 7.380 -1.465 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.242 8.318 -0.125 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.477 7.513 -1.072 1.00 0.00 H new ATOM 177 N ASN A 13 10.373 6.766 -3.451 1.00 0.00 N ATOM 178 CA ASN A 13 11.398 7.137 -4.471 1.00 0.00 C ATOM 179 C ASN A 13 11.580 5.980 -5.461 1.00 0.00 C ATOM 180 O ASN A 13 11.518 6.161 -6.660 1.00 0.00 O ATOM 181 CB ASN A 13 12.731 7.427 -3.778 1.00 0.00 C ATOM 182 CG ASN A 13 12.664 8.792 -3.091 1.00 0.00 C ATOM 183 OD1 ASN A 13 12.340 8.881 -1.924 1.00 0.00 O ATOM 184 ND2 ASN A 13 12.958 9.867 -3.771 1.00 0.00 N ATOM 0 H ASN A 13 10.736 6.559 -2.521 1.00 0.00 H new ATOM 0 HA ASN A 13 11.067 8.026 -5.007 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.948 6.650 -3.045 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.542 7.414 -4.506 1.00 0.00 H new ATOM 0 HD21 ASN A 13 12.916 10.782 -3.322 1.00 0.00 H new ATOM 0 HD22 ASN A 13 13.230 9.792 -4.751 1.00 0.00 H new ATOM 191 N THR A 14 11.794 4.792 -4.966 1.00 0.00 N ATOM 192 CA THR A 14 11.970 3.617 -5.869 1.00 0.00 C ATOM 193 C THR A 14 10.625 3.336 -6.554 1.00 0.00 C ATOM 194 O THR A 14 10.519 3.282 -7.763 1.00 0.00 O ATOM 195 CB THR A 14 12.431 2.416 -5.009 1.00 0.00 C ATOM 196 OG1 THR A 14 13.850 2.414 -4.944 1.00 0.00 O ATOM 197 CG2 THR A 14 11.959 1.081 -5.600 1.00 0.00 C ATOM 0 H THR A 14 11.855 4.583 -3.970 1.00 0.00 H new ATOM 0 HA THR A 14 12.719 3.802 -6.639 1.00 0.00 H new ATOM 0 HB THR A 14 11.995 2.522 -4.016 1.00 0.00 H new ATOM 0 HG1 THR A 14 14.141 1.884 -4.173 1.00 0.00 H new ATOM 0 HG21 THR A 14 12.302 0.262 -4.968 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.870 1.070 -5.649 1.00 0.00 H new ATOM 0 HG23 THR A 14 12.369 0.962 -6.603 1.00 0.00 H new ATOM 205 N LEU A 15 9.608 3.163 -5.764 1.00 0.00 N ATOM 206 CA LEU A 15 8.236 2.887 -6.287 1.00 0.00 C ATOM 207 C LEU A 15 7.928 3.803 -7.480 1.00 0.00 C ATOM 208 O LEU A 15 7.204 3.437 -8.386 1.00 0.00 O ATOM 209 CB LEU A 15 7.210 3.166 -5.179 1.00 0.00 C ATOM 210 CG LEU A 15 7.542 2.375 -3.914 1.00 0.00 C ATOM 211 CD1 LEU A 15 6.620 2.833 -2.789 1.00 0.00 C ATOM 212 CD2 LEU A 15 7.327 0.885 -4.161 1.00 0.00 C ATOM 0 H LEU A 15 9.668 3.202 -4.747 1.00 0.00 H new ATOM 0 HA LEU A 15 8.182 1.846 -6.605 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.195 4.232 -4.952 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.212 2.900 -5.527 1.00 0.00 H new ATOM 0 HG LEU A 15 8.583 2.547 -3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.849 2.275 -1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.769 3.897 -2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.583 2.655 -3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.566 0.328 -3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.286 0.708 -4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.975 0.553 -4.972 1.00 0.00 H new ATOM 224 N ALA A 16 8.464 4.992 -7.480 1.00 0.00 N ATOM 225 CA ALA A 16 8.196 5.936 -8.603 1.00 0.00 C ATOM 226 C ALA A 16 9.042 5.551 -9.818 1.00 0.00 C ATOM 227 O ALA A 16 8.567 5.538 -10.937 1.00 0.00 O ATOM 228 CB ALA A 16 8.552 7.358 -8.164 1.00 0.00 C ATOM 0 H ALA A 16 9.078 5.352 -6.749 1.00 0.00 H new ATOM 0 HA ALA A 16 7.141 5.887 -8.872 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.357 8.051 -8.983 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.945 7.635 -7.302 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.607 7.402 -7.894 1.00 0.00 H new ATOM 234 N LYS A 17 10.293 5.242 -9.613 1.00 0.00 N ATOM 235 CA LYS A 17 11.162 4.864 -10.764 1.00 0.00 C ATOM 236 C LYS A 17 11.589 3.401 -10.627 1.00 0.00 C ATOM 237 O LYS A 17 12.758 3.096 -10.499 1.00 0.00 O ATOM 238 CB LYS A 17 12.404 5.755 -10.783 1.00 0.00 C ATOM 239 CG LYS A 17 13.004 5.760 -12.190 1.00 0.00 C ATOM 240 CD LYS A 17 13.886 6.998 -12.366 1.00 0.00 C ATOM 241 CE LYS A 17 15.099 6.643 -13.225 1.00 0.00 C ATOM 242 NZ LYS A 17 14.840 7.038 -14.639 1.00 0.00 N ATOM 0 H LYS A 17 10.750 5.235 -8.701 1.00 0.00 H new ATOM 0 HA LYS A 17 10.606 4.995 -11.692 1.00 0.00 H new ATOM 0 HB2 LYS A 17 12.142 6.770 -10.484 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.138 5.390 -10.064 1.00 0.00 H new ATOM 0 HG2 LYS A 17 13.592 4.856 -12.349 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.209 5.758 -12.936 1.00 0.00 H new ATOM 0 HD2 LYS A 17 13.316 7.799 -12.836 1.00 0.00 H new ATOM 0 HD3 LYS A 17 14.211 7.367 -11.393 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.986 7.154 -12.850 1.00 0.00 H new ATOM 0 HE3 LYS A 17 15.299 5.573 -13.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.665 6.796 -15.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.004 6.531 -14.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.669 8.063 -14.687 1.00 0.00 H new ATOM 256 N MET A 18 10.650 2.495 -10.654 1.00 0.00 N ATOM 257 CA MET A 18 10.995 1.053 -10.525 1.00 0.00 C ATOM 258 C MET A 18 10.326 0.272 -11.661 1.00 0.00 C ATOM 259 O MET A 18 9.219 0.570 -12.063 1.00 0.00 O ATOM 260 CB MET A 18 10.493 0.538 -9.171 1.00 0.00 C ATOM 261 CG MET A 18 10.698 -0.976 -9.078 1.00 0.00 C ATOM 262 SD MET A 18 9.118 -1.820 -9.348 1.00 0.00 S ATOM 263 CE MET A 18 8.368 -1.426 -7.747 1.00 0.00 C ATOM 0 H MET A 18 9.655 2.694 -10.760 1.00 0.00 H new ATOM 0 HA MET A 18 12.075 0.919 -10.585 1.00 0.00 H new ATOM 0 HB2 MET A 18 11.028 1.036 -8.362 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.437 0.778 -9.050 1.00 0.00 H new ATOM 0 HG2 MET A 18 11.427 -1.301 -9.820 1.00 0.00 H new ATOM 0 HG3 MET A 18 11.100 -1.239 -8.100 1.00 0.00 H new ATOM 0 HE1 MET A 18 7.666 -2.213 -7.471 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.147 -1.352 -6.988 1.00 0.00 H new ATOM 0 HE3 MET A 18 7.839 -0.476 -7.817 1.00 0.00 H new ATOM 273 N ASP A 19 10.987 -0.725 -12.180 1.00 0.00 N ATOM 274 CA ASP A 19 10.383 -1.521 -13.285 1.00 0.00 C ATOM 275 C ASP A 19 9.417 -2.550 -12.696 1.00 0.00 C ATOM 276 O ASP A 19 8.223 -2.486 -12.907 1.00 0.00 O ATOM 277 CB ASP A 19 11.487 -2.239 -14.064 1.00 0.00 C ATOM 278 CG ASP A 19 10.894 -2.872 -15.324 1.00 0.00 C ATOM 279 OD1 ASP A 19 9.998 -3.690 -15.188 1.00 0.00 O ATOM 280 OD2 ASP A 19 11.347 -2.531 -16.404 1.00 0.00 O ATOM 0 H ASP A 19 11.918 -1.023 -11.888 1.00 0.00 H new ATOM 0 HA ASP A 19 9.842 -0.857 -13.960 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.273 -1.534 -14.334 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.947 -3.006 -13.441 1.00 0.00 H new ATOM 285 N ASP A 20 9.923 -3.497 -11.955 1.00 0.00 N ATOM 286 CA ASP A 20 9.029 -4.525 -11.351 1.00 0.00 C ATOM 287 C ASP A 20 9.848 -5.460 -10.459 1.00 0.00 C ATOM 288 O ASP A 20 9.487 -5.731 -9.331 1.00 0.00 O ATOM 289 CB ASP A 20 8.357 -5.338 -12.461 1.00 0.00 C ATOM 290 CG ASP A 20 6.842 -5.346 -12.246 1.00 0.00 C ATOM 291 OD1 ASP A 20 6.365 -6.240 -11.567 1.00 0.00 O ATOM 292 OD2 ASP A 20 6.185 -4.458 -12.765 1.00 0.00 O ATOM 0 H ASP A 20 10.915 -3.603 -11.742 1.00 0.00 H new ATOM 0 HA ASP A 20 8.266 -4.029 -10.751 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.594 -4.909 -13.434 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.740 -6.359 -12.461 1.00 0.00 H new ATOM 297 N GLY A 21 10.948 -5.957 -10.953 1.00 0.00 N ATOM 298 CA GLY A 21 11.785 -6.874 -10.128 1.00 0.00 C ATOM 299 C GLY A 21 12.893 -6.075 -9.441 1.00 0.00 C ATOM 300 O GLY A 21 13.937 -6.600 -9.110 1.00 0.00 O ATOM 0 H GLY A 21 11.303 -5.769 -11.890 1.00 0.00 H new ATOM 0 HA2 GLY A 21 11.168 -7.375 -9.382 1.00 0.00 H new ATOM 0 HA3 GLY A 21 12.219 -7.651 -10.757 1.00 0.00 H new ATOM 304 N GLN A 22 12.674 -4.809 -9.219 1.00 0.00 N ATOM 305 CA GLN A 22 13.713 -3.979 -8.550 1.00 0.00 C ATOM 306 C GLN A 22 13.519 -4.052 -7.035 1.00 0.00 C ATOM 307 O GLN A 22 14.390 -4.490 -6.308 1.00 0.00 O ATOM 308 CB GLN A 22 13.580 -2.528 -9.012 1.00 0.00 C ATOM 309 CG GLN A 22 14.892 -1.785 -8.755 1.00 0.00 C ATOM 310 CD GLN A 22 14.603 -0.289 -8.618 1.00 0.00 C ATOM 311 OE1 GLN A 22 14.033 0.142 -7.636 1.00 0.00 O ATOM 312 NE2 GLN A 22 14.975 0.528 -9.565 1.00 0.00 N ATOM 0 H GLN A 22 11.819 -4.313 -9.472 1.00 0.00 H new ATOM 0 HA GLN A 22 14.703 -4.353 -8.810 1.00 0.00 H new ATOM 0 HB2 GLN A 22 13.334 -2.495 -10.073 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.764 -2.040 -8.480 1.00 0.00 H new ATOM 0 HG2 GLN A 22 15.365 -2.161 -7.848 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.589 -1.960 -9.574 1.00 0.00 H new ATOM 0 HE21 GLN A 22 15.454 0.168 -10.390 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.787 1.527 -9.480 1.00 0.00 H new ATOM 321 N LEU A 23 12.383 -3.628 -6.551 1.00 0.00 N ATOM 322 CA LEU A 23 12.135 -3.678 -5.080 1.00 0.00 C ATOM 323 C LEU A 23 10.823 -4.420 -4.812 1.00 0.00 C ATOM 324 O LEU A 23 9.894 -3.879 -4.247 1.00 0.00 O ATOM 325 CB LEU A 23 12.046 -2.252 -4.525 1.00 0.00 C ATOM 326 CG LEU A 23 13.290 -1.950 -3.685 1.00 0.00 C ATOM 327 CD1 LEU A 23 14.506 -1.789 -4.599 1.00 0.00 C ATOM 328 CD2 LEU A 23 13.071 -0.655 -2.899 1.00 0.00 C ATOM 0 H LEU A 23 11.617 -3.250 -7.108 1.00 0.00 H new ATOM 0 HA LEU A 23 12.955 -4.203 -4.589 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.965 -1.537 -5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.148 -2.143 -3.916 1.00 0.00 H new ATOM 0 HG LEU A 23 13.466 -2.774 -2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 23 15.388 -1.574 -3.996 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.665 -2.711 -5.159 1.00 0.00 H new ATOM 0 HD13 LEU A 23 14.333 -0.967 -5.294 1.00 0.00 H new ATOM 0 HD21 LEU A 23 13.956 -0.439 -2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.893 0.166 -3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 23 12.208 -0.769 -2.243 1.00 0.00 H new ATOM 340 N ASP A 24 10.739 -5.659 -5.212 1.00 0.00 N ATOM 341 CA ASP A 24 9.486 -6.433 -4.975 1.00 0.00 C ATOM 342 C ASP A 24 9.725 -7.505 -3.904 1.00 0.00 C ATOM 343 O ASP A 24 8.797 -8.120 -3.415 1.00 0.00 O ATOM 344 CB ASP A 24 9.046 -7.104 -6.279 1.00 0.00 C ATOM 345 CG ASP A 24 10.109 -8.110 -6.728 1.00 0.00 C ATOM 346 OD1 ASP A 24 11.165 -7.675 -7.156 1.00 0.00 O ATOM 347 OD2 ASP A 24 9.847 -9.298 -6.636 1.00 0.00 O ATOM 0 H ASP A 24 11.481 -6.169 -5.692 1.00 0.00 H new ATOM 0 HA ASP A 24 8.707 -5.753 -4.631 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.091 -7.610 -6.134 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.894 -6.352 -7.053 1.00 0.00 H new ATOM 352 N GLY A 25 10.958 -7.741 -3.535 1.00 0.00 N ATOM 353 CA GLY A 25 11.243 -8.777 -2.503 1.00 0.00 C ATOM 354 C GLY A 25 11.385 -8.114 -1.132 1.00 0.00 C ATOM 355 O GLY A 25 12.068 -8.611 -0.258 1.00 0.00 O ATOM 0 H GLY A 25 11.778 -7.260 -3.905 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.439 -9.512 -2.480 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.158 -9.313 -2.755 1.00 0.00 H new ATOM 359 N LEU A 26 10.738 -6.997 -0.931 1.00 0.00 N ATOM 360 CA LEU A 26 10.828 -6.313 0.378 1.00 0.00 C ATOM 361 C LEU A 26 10.054 -7.115 1.414 1.00 0.00 C ATOM 362 O LEU A 26 9.633 -8.231 1.183 1.00 0.00 O ATOM 363 CB LEU A 26 10.202 -4.917 0.275 1.00 0.00 C ATOM 364 CG LEU A 26 10.808 -4.151 -0.901 1.00 0.00 C ATOM 365 CD1 LEU A 26 9.700 -3.391 -1.635 1.00 0.00 C ATOM 366 CD2 LEU A 26 11.841 -3.151 -0.380 1.00 0.00 C ATOM 0 H LEU A 26 10.151 -6.532 -1.624 1.00 0.00 H new ATOM 0 HA LEU A 26 11.875 -6.228 0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.123 -5.003 0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.368 -4.367 1.201 1.00 0.00 H new ATOM 0 HG LEU A 26 11.289 -4.853 -1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.129 -2.844 -2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.957 -4.098 -2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.224 -2.690 -0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.273 -2.605 -1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.358 -2.449 0.300 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.629 -3.685 0.150 1.00 0.00 H new ATOM 378 N ALA A 27 9.849 -6.527 2.543 1.00 0.00 N ATOM 379 CA ALA A 27 9.076 -7.198 3.626 1.00 0.00 C ATOM 380 C ALA A 27 7.749 -6.452 3.818 1.00 0.00 C ATOM 381 O ALA A 27 6.899 -6.852 4.595 1.00 0.00 O ATOM 382 CB ALA A 27 9.875 -7.164 4.929 1.00 0.00 C ATOM 0 H ALA A 27 10.187 -5.593 2.775 1.00 0.00 H new ATOM 0 HA ALA A 27 8.885 -8.236 3.355 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.306 -7.656 5.718 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.823 -7.683 4.788 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.067 -6.129 5.211 1.00 0.00 H new ATOM 388 N PHE A 28 7.564 -5.367 3.110 1.00 0.00 N ATOM 389 CA PHE A 28 6.306 -4.599 3.240 1.00 0.00 C ATOM 390 C PHE A 28 5.801 -4.236 1.855 1.00 0.00 C ATOM 391 O PHE A 28 6.389 -3.442 1.148 1.00 0.00 O ATOM 392 CB PHE A 28 6.553 -3.311 4.019 1.00 0.00 C ATOM 393 CG PHE A 28 7.757 -2.617 3.423 1.00 0.00 C ATOM 394 CD1 PHE A 28 9.046 -3.104 3.673 1.00 0.00 C ATOM 395 CD2 PHE A 28 7.580 -1.505 2.597 1.00 0.00 C ATOM 396 CE1 PHE A 28 10.160 -2.479 3.095 1.00 0.00 C ATOM 397 CE2 PHE A 28 8.693 -0.873 2.020 1.00 0.00 C ATOM 398 CZ PHE A 28 9.986 -1.362 2.266 1.00 0.00 C ATOM 0 H PHE A 28 8.238 -4.985 2.447 1.00 0.00 H new ATOM 0 HA PHE A 28 5.573 -5.208 3.768 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.678 -2.663 3.968 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.725 -3.532 5.072 1.00 0.00 H new ATOM 0 HD1 PHE A 28 9.182 -3.963 4.313 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.586 -1.131 2.402 1.00 0.00 H new ATOM 0 HE1 PHE A 28 11.153 -2.858 3.288 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.554 -0.010 1.386 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.843 -0.880 1.819 1.00 0.00 H new ATOM 408 N GLY A 29 4.710 -4.806 1.472 1.00 0.00 N ATOM 409 CA GLY A 29 4.127 -4.511 0.142 1.00 0.00 C ATOM 410 C GLY A 29 4.034 -2.998 -0.066 1.00 0.00 C ATOM 411 O GLY A 29 4.073 -2.239 0.883 1.00 0.00 O ATOM 0 H GLY A 29 4.184 -5.477 2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.742 -4.957 -0.640 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.136 -4.959 0.063 1.00 0.00 H new ATOM 415 N ALA A 30 3.895 -2.540 -1.288 1.00 0.00 N ATOM 416 CA ALA A 30 3.783 -1.067 -1.491 1.00 0.00 C ATOM 417 C ALA A 30 2.840 -0.812 -2.656 1.00 0.00 C ATOM 418 O ALA A 30 2.964 -1.406 -3.705 1.00 0.00 O ATOM 419 CB ALA A 30 5.162 -0.454 -1.776 1.00 0.00 C ATOM 0 H ALA A 30 3.855 -3.110 -2.133 1.00 0.00 H new ATOM 0 HA ALA A 30 3.392 -0.600 -0.587 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.059 0.621 -1.921 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.826 -0.644 -0.933 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.581 -0.903 -2.676 1.00 0.00 H new ATOM 425 N ILE A 31 1.873 0.043 -2.476 1.00 0.00 N ATOM 426 CA ILE A 31 0.911 0.291 -3.580 1.00 0.00 C ATOM 427 C ILE A 31 0.718 1.786 -3.803 1.00 0.00 C ATOM 428 O ILE A 31 0.934 2.586 -2.924 1.00 0.00 O ATOM 429 CB ILE A 31 -0.433 -0.366 -3.223 1.00 0.00 C ATOM 430 CG1 ILE A 31 -1.129 0.401 -2.093 1.00 0.00 C ATOM 431 CG2 ILE A 31 -0.170 -1.789 -2.752 1.00 0.00 C ATOM 432 CD1 ILE A 31 -1.951 1.552 -2.678 1.00 0.00 C ATOM 0 H ILE A 31 1.709 0.575 -1.621 1.00 0.00 H new ATOM 0 HA ILE A 31 1.303 -0.139 -4.502 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.074 -0.358 -4.104 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.777 -0.271 -1.530 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.388 0.789 -1.394 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.115 -2.268 -2.495 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.317 -2.352 -3.548 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.476 -1.768 -1.875 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.444 2.094 -1.871 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.293 2.230 -3.221 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.703 1.153 -3.359 1.00 0.00 H new ATOM 444 N GLN A 32 0.285 2.157 -4.971 1.00 0.00 N ATOM 445 CA GLN A 32 0.038 3.590 -5.262 1.00 0.00 C ATOM 446 C GLN A 32 -1.453 3.748 -5.536 1.00 0.00 C ATOM 447 O GLN A 32 -2.139 2.778 -5.786 1.00 0.00 O ATOM 448 CB GLN A 32 0.838 4.011 -6.496 1.00 0.00 C ATOM 449 CG GLN A 32 2.288 4.289 -6.095 1.00 0.00 C ATOM 450 CD GLN A 32 3.059 4.817 -7.307 1.00 0.00 C ATOM 451 OE1 GLN A 32 3.580 4.050 -8.092 1.00 0.00 O ATOM 452 NE2 GLN A 32 3.156 6.105 -7.493 1.00 0.00 N ATOM 0 H GLN A 32 0.090 1.521 -5.744 1.00 0.00 H new ATOM 0 HA GLN A 32 0.345 4.214 -4.423 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.803 3.225 -7.251 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.396 4.902 -6.942 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.319 5.017 -5.285 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.755 3.377 -5.722 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.719 6.750 -6.834 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.669 6.467 -8.297 1.00 0.00 H new ATOM 461 N LEU A 33 -1.973 4.940 -5.492 1.00 0.00 N ATOM 462 CA LEU A 33 -3.427 5.099 -5.754 1.00 0.00 C ATOM 463 C LEU A 33 -3.704 6.439 -6.432 1.00 0.00 C ATOM 464 O LEU A 33 -3.099 7.444 -6.120 1.00 0.00 O ATOM 465 CB LEU A 33 -4.204 5.048 -4.437 1.00 0.00 C ATOM 466 CG LEU A 33 -4.455 3.591 -4.046 1.00 0.00 C ATOM 467 CD1 LEU A 33 -5.187 3.543 -2.705 1.00 0.00 C ATOM 468 CD2 LEU A 33 -5.313 2.916 -5.119 1.00 0.00 C ATOM 0 H LEU A 33 -1.463 5.800 -5.289 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.746 4.287 -6.407 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.642 5.554 -3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.152 5.576 -4.542 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.502 3.068 -3.960 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.366 2.505 -2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.578 4.025 -1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.140 4.065 -2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.492 1.877 -4.841 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.266 3.438 -5.205 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.793 2.951 -6.076 1.00 0.00 H new ATOM 480 N ASP A 34 -4.650 6.463 -7.326 1.00 0.00 N ATOM 481 CA ASP A 34 -5.016 7.731 -7.994 1.00 0.00 C ATOM 482 C ASP A 34 -6.211 8.281 -7.236 1.00 0.00 C ATOM 483 O ASP A 34 -6.794 7.579 -6.449 1.00 0.00 O ATOM 484 CB ASP A 34 -5.393 7.469 -9.454 1.00 0.00 C ATOM 485 CG ASP A 34 -5.767 8.788 -10.132 1.00 0.00 C ATOM 486 OD1 ASP A 34 -4.960 9.703 -10.090 1.00 0.00 O ATOM 487 OD2 ASP A 34 -6.853 8.861 -10.683 1.00 0.00 O ATOM 0 H ASP A 34 -5.188 5.649 -7.622 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.184 8.436 -7.991 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.558 7.003 -9.978 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.230 6.772 -9.505 1.00 0.00 H new ATOM 492 N GLY A 35 -6.554 9.521 -7.444 1.00 0.00 N ATOM 493 CA GLY A 35 -7.697 10.149 -6.703 1.00 0.00 C ATOM 494 C GLY A 35 -8.939 9.240 -6.615 1.00 0.00 C ATOM 495 O GLY A 35 -9.774 9.431 -5.753 1.00 0.00 O ATOM 0 H GLY A 35 -6.086 10.140 -8.106 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.371 10.405 -5.695 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.972 11.082 -7.196 1.00 0.00 H new ATOM 499 N ASP A 36 -9.100 8.283 -7.489 1.00 0.00 N ATOM 500 CA ASP A 36 -10.326 7.422 -7.419 1.00 0.00 C ATOM 501 C ASP A 36 -10.027 6.104 -6.694 1.00 0.00 C ATOM 502 O ASP A 36 -10.784 5.156 -6.775 1.00 0.00 O ATOM 503 CB ASP A 36 -10.807 7.115 -8.838 1.00 0.00 C ATOM 504 CG ASP A 36 -12.097 7.888 -9.119 1.00 0.00 C ATOM 505 OD1 ASP A 36 -13.093 7.590 -8.481 1.00 0.00 O ATOM 506 OD2 ASP A 36 -12.067 8.764 -9.968 1.00 0.00 O ATOM 0 H ASP A 36 -8.448 8.058 -8.240 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.096 7.958 -6.865 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.040 7.392 -9.561 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.980 6.045 -8.951 1.00 0.00 H new ATOM 511 N GLY A 37 -8.939 6.036 -5.990 1.00 0.00 N ATOM 512 CA GLY A 37 -8.593 4.789 -5.258 1.00 0.00 C ATOM 513 C GLY A 37 -8.093 3.744 -6.261 1.00 0.00 C ATOM 514 O GLY A 37 -8.225 2.556 -6.040 1.00 0.00 O ATOM 0 H GLY A 37 -8.267 6.796 -5.888 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.825 4.992 -4.511 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.465 4.411 -4.724 1.00 0.00 H new ATOM 518 N ASN A 38 -7.551 4.167 -7.378 1.00 0.00 N ATOM 519 CA ASN A 38 -7.092 3.154 -8.395 1.00 0.00 C ATOM 520 C ASN A 38 -5.606 2.834 -8.217 1.00 0.00 C ATOM 521 O ASN A 38 -4.782 3.707 -8.115 1.00 0.00 O ATOM 522 CB ASN A 38 -7.317 3.692 -9.805 1.00 0.00 C ATOM 523 CG ASN A 38 -8.764 3.432 -10.229 1.00 0.00 C ATOM 524 OD1 ASN A 38 -9.106 2.333 -10.619 1.00 0.00 O ATOM 525 ND2 ASN A 38 -9.637 4.403 -10.171 1.00 0.00 N ATOM 0 H ASN A 38 -7.407 5.145 -7.631 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.672 2.243 -8.247 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.105 4.761 -9.835 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.631 3.211 -10.502 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -10.603 4.238 -10.453 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.352 5.326 -9.844 1.00 0.00 H new ATOM 532 N ILE A 39 -5.257 1.579 -8.182 1.00 0.00 N ATOM 533 CA ILE A 39 -3.817 1.220 -7.992 1.00 0.00 C ATOM 534 C ILE A 39 -2.954 1.753 -9.142 1.00 0.00 C ATOM 535 O ILE A 39 -3.292 1.647 -10.304 1.00 0.00 O ATOM 536 CB ILE A 39 -3.654 -0.325 -7.854 1.00 0.00 C ATOM 537 CG1 ILE A 39 -2.761 -0.626 -6.642 1.00 0.00 C ATOM 538 CG2 ILE A 39 -3.015 -0.959 -9.100 1.00 0.00 C ATOM 539 CD1 ILE A 39 -3.565 -0.445 -5.353 1.00 0.00 C ATOM 0 H ILE A 39 -5.897 0.790 -8.275 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.472 1.691 -7.071 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.650 -0.751 -7.732 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.379 -1.645 -6.704 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.897 0.039 -6.640 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.923 -2.035 -8.954 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.642 -0.763 -9.970 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.026 -0.529 -9.261 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.929 -0.659 -4.494 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.926 0.582 -5.290 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.414 -1.128 -5.355 1.00 0.00 H new ATOM 551 N LEU A 40 -1.813 2.274 -8.805 1.00 0.00 N ATOM 552 CA LEU A 40 -0.863 2.765 -9.841 1.00 0.00 C ATOM 553 C LEU A 40 0.341 1.812 -9.839 1.00 0.00 C ATOM 554 O LEU A 40 1.010 1.622 -10.836 1.00 0.00 O ATOM 555 CB LEU A 40 -0.386 4.190 -9.512 1.00 0.00 C ATOM 556 CG LEU A 40 -1.471 4.957 -8.749 1.00 0.00 C ATOM 557 CD1 LEU A 40 -0.942 6.336 -8.361 1.00 0.00 C ATOM 558 CD2 LEU A 40 -2.702 5.115 -9.640 1.00 0.00 C ATOM 0 H LEU A 40 -1.491 2.383 -7.843 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.351 2.791 -10.815 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.525 4.146 -8.915 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.138 4.718 -10.433 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.742 4.406 -7.848 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.713 6.882 -7.818 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.063 6.223 -7.727 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.672 6.888 -9.261 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.475 5.660 -9.099 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.431 5.667 -10.540 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.079 4.131 -9.917 1.00 0.00 H new ATOM 570 N GLN A 41 0.607 1.214 -8.704 1.00 0.00 N ATOM 571 CA GLN A 41 1.747 0.262 -8.569 1.00 0.00 C ATOM 572 C GLN A 41 1.390 -0.730 -7.444 1.00 0.00 C ATOM 573 O GLN A 41 0.662 -0.390 -6.537 1.00 0.00 O ATOM 574 CB GLN A 41 3.001 1.073 -8.207 1.00 0.00 C ATOM 575 CG GLN A 41 4.272 0.251 -8.463 1.00 0.00 C ATOM 576 CD GLN A 41 4.357 -0.913 -7.473 1.00 0.00 C ATOM 577 OE1 GLN A 41 4.867 -1.965 -7.805 1.00 0.00 O ATOM 578 NE2 GLN A 41 3.879 -0.775 -6.264 1.00 0.00 N ATOM 0 H GLN A 41 0.069 1.351 -7.849 1.00 0.00 H new ATOM 0 HA GLN A 41 1.936 -0.289 -9.490 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.030 1.990 -8.796 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.959 1.369 -7.159 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.268 -0.130 -9.484 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.151 0.887 -8.364 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.450 0.107 -5.983 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.935 -1.549 -5.602 1.00 0.00 H new ATOM 587 N TYR A 42 1.865 -1.954 -7.490 1.00 0.00 N ATOM 588 CA TYR A 42 1.501 -2.920 -6.401 1.00 0.00 C ATOM 589 C TYR A 42 2.753 -3.634 -5.839 1.00 0.00 C ATOM 590 O TYR A 42 3.000 -3.630 -4.632 1.00 0.00 O ATOM 591 CB TYR A 42 0.509 -3.953 -6.959 1.00 0.00 C ATOM 592 CG TYR A 42 -0.338 -4.447 -5.819 1.00 0.00 C ATOM 593 CD1 TYR A 42 -1.128 -3.539 -5.102 1.00 0.00 C ATOM 594 CD2 TYR A 42 -0.286 -5.794 -5.432 1.00 0.00 C ATOM 595 CE1 TYR A 42 -1.858 -3.977 -3.991 1.00 0.00 C ATOM 596 CE2 TYR A 42 -1.032 -6.227 -4.328 1.00 0.00 C ATOM 597 CZ TYR A 42 -1.808 -5.315 -3.610 1.00 0.00 C ATOM 598 OH TYR A 42 -2.506 -5.729 -2.506 1.00 0.00 O ATOM 0 H TYR A 42 2.477 -2.321 -8.219 1.00 0.00 H new ATOM 0 HA TYR A 42 1.042 -2.367 -5.582 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.116 -3.503 -7.731 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.043 -4.782 -7.424 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.174 -2.504 -5.406 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.326 -6.494 -5.982 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.460 -3.277 -3.430 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.007 -7.265 -4.033 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.787 -6.660 -2.627 1.00 0.00 H new ATOM 608 N ASN A 43 3.530 -4.246 -6.708 1.00 0.00 N ATOM 609 CA ASN A 43 4.774 -4.984 -6.293 1.00 0.00 C ATOM 610 C ASN A 43 4.418 -6.455 -5.978 1.00 0.00 C ATOM 611 O ASN A 43 3.278 -6.859 -6.090 1.00 0.00 O ATOM 612 CB ASN A 43 5.488 -4.259 -5.118 1.00 0.00 C ATOM 613 CG ASN A 43 5.243 -4.948 -3.772 1.00 0.00 C ATOM 614 OD1 ASN A 43 4.187 -5.490 -3.542 1.00 0.00 O ATOM 615 ND2 ASN A 43 6.187 -4.944 -2.869 1.00 0.00 N ATOM 0 H ASN A 43 3.349 -4.265 -7.712 1.00 0.00 H new ATOM 0 HA ASN A 43 5.491 -4.990 -7.114 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.559 -4.222 -5.315 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.138 -3.228 -5.064 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.034 -5.398 -1.969 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.077 -4.486 -3.064 1.00 0.00 H new ATOM 622 N ALA A 44 5.391 -7.267 -5.640 1.00 0.00 N ATOM 623 CA ALA A 44 5.104 -8.719 -5.388 1.00 0.00 C ATOM 624 C ALA A 44 4.926 -9.065 -3.897 1.00 0.00 C ATOM 625 O ALA A 44 4.120 -9.907 -3.564 1.00 0.00 O ATOM 626 CB ALA A 44 6.258 -9.548 -5.952 1.00 0.00 C ATOM 0 H ALA A 44 6.367 -6.991 -5.528 1.00 0.00 H new ATOM 0 HA ALA A 44 4.158 -8.947 -5.879 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.065 -10.606 -5.777 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.346 -9.367 -7.023 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.187 -9.262 -5.458 1.00 0.00 H new ATOM 632 N ALA A 45 5.688 -8.481 -3.006 1.00 0.00 N ATOM 633 CA ALA A 45 5.566 -8.846 -1.548 1.00 0.00 C ATOM 634 C ALA A 45 4.101 -8.927 -1.109 1.00 0.00 C ATOM 635 O ALA A 45 3.621 -9.961 -0.690 1.00 0.00 O ATOM 636 CB ALA A 45 6.278 -7.794 -0.690 1.00 0.00 C ATOM 0 H ALA A 45 6.388 -7.770 -3.217 1.00 0.00 H new ATOM 0 HA ALA A 45 6.026 -9.825 -1.413 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.188 -8.061 0.363 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.332 -7.753 -0.965 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.821 -6.818 -0.857 1.00 0.00 H new ATOM 642 N GLU A 46 3.405 -7.840 -1.180 1.00 0.00 N ATOM 643 CA GLU A 46 1.968 -7.835 -0.751 1.00 0.00 C ATOM 644 C GLU A 46 1.158 -8.830 -1.559 1.00 0.00 C ATOM 645 O GLU A 46 0.411 -9.618 -1.025 1.00 0.00 O ATOM 646 CB GLU A 46 1.306 -6.445 -0.883 1.00 0.00 C ATOM 647 CG GLU A 46 2.095 -5.458 -1.762 1.00 0.00 C ATOM 648 CD GLU A 46 1.541 -5.399 -3.166 1.00 0.00 C ATOM 649 OE1 GLU A 46 1.917 -6.213 -3.989 1.00 0.00 O ATOM 650 OE2 GLU A 46 0.677 -4.379 -3.418 1.00 0.00 O ATOM 0 H GLU A 46 3.759 -6.945 -1.516 1.00 0.00 H new ATOM 0 HA GLU A 46 1.973 -8.115 0.303 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.306 -6.568 -1.300 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.186 -6.015 0.111 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.061 -4.465 -1.315 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.143 -5.757 -1.796 1.00 0.00 H new ATOM 658 N GLY A 47 1.289 -8.788 -2.833 1.00 0.00 N ATOM 659 CA GLY A 47 0.511 -9.725 -3.692 1.00 0.00 C ATOM 660 C GLY A 47 0.884 -11.174 -3.361 1.00 0.00 C ATOM 661 O GLY A 47 0.186 -12.097 -3.730 1.00 0.00 O ATOM 0 H GLY A 47 1.902 -8.146 -3.335 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.557 -9.571 -3.537 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.713 -9.520 -4.743 1.00 0.00 H new ATOM 665 N ASP A 48 1.968 -11.388 -2.664 1.00 0.00 N ATOM 666 CA ASP A 48 2.357 -12.784 -2.316 1.00 0.00 C ATOM 667 C ASP A 48 1.593 -13.213 -1.062 1.00 0.00 C ATOM 668 O ASP A 48 1.293 -14.374 -0.868 1.00 0.00 O ATOM 669 CB ASP A 48 3.863 -12.847 -2.047 1.00 0.00 C ATOM 670 CG ASP A 48 4.389 -14.241 -2.397 1.00 0.00 C ATOM 671 OD1 ASP A 48 3.584 -15.154 -2.480 1.00 0.00 O ATOM 672 OD2 ASP A 48 5.589 -14.370 -2.576 1.00 0.00 O ATOM 0 H ASP A 48 2.597 -10.661 -2.323 1.00 0.00 H new ATOM 0 HA ASP A 48 2.115 -13.452 -3.143 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.380 -12.093 -2.640 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.065 -12.623 -1.000 1.00 0.00 H new ATOM 677 N ILE A 49 1.278 -12.278 -0.209 1.00 0.00 N ATOM 678 CA ILE A 49 0.537 -12.609 1.035 1.00 0.00 C ATOM 679 C ILE A 49 -0.966 -12.709 0.716 1.00 0.00 C ATOM 680 O ILE A 49 -1.602 -13.709 0.988 1.00 0.00 O ATOM 681 CB ILE A 49 0.853 -11.516 2.074 1.00 0.00 C ATOM 682 CG1 ILE A 49 1.712 -12.116 3.190 1.00 0.00 C ATOM 683 CG2 ILE A 49 -0.405 -10.891 2.695 1.00 0.00 C ATOM 684 CD1 ILE A 49 0.958 -13.271 3.852 1.00 0.00 C ATOM 0 H ILE A 49 1.506 -11.290 -0.324 1.00 0.00 H new ATOM 0 HA ILE A 49 0.839 -13.572 1.446 1.00 0.00 H new ATOM 0 HB ILE A 49 1.383 -10.721 1.549 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.658 -12.472 2.783 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.950 -11.352 3.930 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.114 -10.129 3.418 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.010 -10.435 1.911 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.986 -11.665 3.197 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.570 -13.697 4.646 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.023 -12.901 4.273 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.742 -14.038 3.109 1.00 0.00 H new ATOM 696 N THR A 50 -1.534 -11.678 0.145 1.00 0.00 N ATOM 697 CA THR A 50 -2.995 -11.720 -0.183 1.00 0.00 C ATOM 698 C THR A 50 -3.207 -12.412 -1.537 1.00 0.00 C ATOM 699 O THR A 50 -4.319 -12.727 -1.908 1.00 0.00 O ATOM 700 CB THR A 50 -3.584 -10.293 -0.252 1.00 0.00 C ATOM 701 OG1 THR A 50 -3.454 -9.788 -1.571 1.00 0.00 O ATOM 702 CG2 THR A 50 -2.864 -9.350 0.715 1.00 0.00 C ATOM 0 H THR A 50 -1.055 -10.814 -0.108 1.00 0.00 H new ATOM 0 HA THR A 50 -3.503 -12.277 0.604 1.00 0.00 H new ATOM 0 HB THR A 50 -4.635 -10.347 0.031 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.995 -8.923 -1.546 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.300 -8.354 0.644 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.972 -9.722 1.734 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.806 -9.302 0.457 1.00 0.00 H new ATOM 710 N GLY A 51 -2.159 -12.639 -2.287 1.00 0.00 N ATOM 711 CA GLY A 51 -2.325 -13.290 -3.614 1.00 0.00 C ATOM 712 C GLY A 51 -2.658 -12.226 -4.672 1.00 0.00 C ATOM 713 O GLY A 51 -2.728 -12.513 -5.851 1.00 0.00 O ATOM 0 H GLY A 51 -1.199 -12.401 -2.036 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.411 -13.817 -3.889 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.121 -14.034 -3.569 1.00 0.00 H new ATOM 717 N ARG A 52 -2.857 -11.000 -4.259 1.00 0.00 N ATOM 718 CA ARG A 52 -3.179 -9.913 -5.227 1.00 0.00 C ATOM 719 C ARG A 52 -2.147 -9.877 -6.353 1.00 0.00 C ATOM 720 O ARG A 52 -0.966 -9.713 -6.122 1.00 0.00 O ATOM 721 CB ARG A 52 -3.152 -8.562 -4.505 1.00 0.00 C ATOM 722 CG ARG A 52 -4.576 -8.064 -4.234 1.00 0.00 C ATOM 723 CD ARG A 52 -4.663 -6.589 -4.613 1.00 0.00 C ATOM 724 NE ARG A 52 -5.049 -5.758 -3.442 1.00 0.00 N ATOM 725 CZ ARG A 52 -4.716 -4.497 -3.415 1.00 0.00 C ATOM 726 NH1 ARG A 52 -4.833 -3.773 -4.493 1.00 0.00 N ATOM 727 NH2 ARG A 52 -4.259 -3.962 -2.317 1.00 0.00 N ATOM 0 H ARG A 52 -2.809 -10.705 -3.284 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.168 -10.105 -5.644 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.610 -8.658 -3.564 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.615 -7.831 -5.110 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.295 -8.645 -4.812 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.829 -8.199 -3.182 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.701 -6.252 -5.001 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.392 -6.458 -5.412 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.569 -6.170 -2.667 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.184 -4.193 -5.354 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.574 -2.787 -4.476 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.161 -4.530 -1.475 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.000 -2.976 -2.300 1.00 0.00 H new ATOM 741 N ASP A 53 -2.588 -9.985 -7.573 1.00 0.00 N ATOM 742 CA ASP A 53 -1.635 -9.908 -8.710 1.00 0.00 C ATOM 743 C ASP A 53 -1.528 -8.435 -9.117 1.00 0.00 C ATOM 744 O ASP A 53 -2.436 -7.676 -8.857 1.00 0.00 O ATOM 745 CB ASP A 53 -2.157 -10.739 -9.885 1.00 0.00 C ATOM 746 CG ASP A 53 -1.557 -12.145 -9.823 1.00 0.00 C ATOM 747 OD1 ASP A 53 -0.365 -12.269 -10.046 1.00 0.00 O ATOM 748 OD2 ASP A 53 -2.303 -13.074 -9.557 1.00 0.00 O ATOM 0 H ASP A 53 -3.565 -10.123 -7.831 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.659 -10.300 -8.424 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.245 -10.795 -9.850 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.893 -10.261 -10.828 1.00 0.00 H new ATOM 753 N PRO A 54 -0.427 -8.055 -9.719 1.00 0.00 N ATOM 754 CA PRO A 54 -0.211 -6.655 -10.128 1.00 0.00 C ATOM 755 C PRO A 54 -0.986 -6.321 -11.408 1.00 0.00 C ATOM 756 O PRO A 54 -1.735 -5.365 -11.456 1.00 0.00 O ATOM 757 CB PRO A 54 1.299 -6.583 -10.371 1.00 0.00 C ATOM 758 CG PRO A 54 1.769 -8.032 -10.643 1.00 0.00 C ATOM 759 CD PRO A 54 0.695 -8.963 -10.048 1.00 0.00 C ATOM 0 HA PRO A 54 -0.559 -5.941 -9.381 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.525 -5.936 -11.219 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.812 -6.165 -9.505 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.884 -8.207 -11.713 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.740 -8.217 -10.183 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.392 -9.729 -10.762 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.062 -9.480 -9.162 1.00 0.00 H new ATOM 767 N LYS A 55 -0.799 -7.083 -12.448 1.00 0.00 N ATOM 768 CA LYS A 55 -1.508 -6.789 -13.726 1.00 0.00 C ATOM 769 C LYS A 55 -3.021 -6.942 -13.552 1.00 0.00 C ATOM 770 O LYS A 55 -3.793 -6.393 -14.313 1.00 0.00 O ATOM 771 CB LYS A 55 -1.028 -7.757 -14.809 1.00 0.00 C ATOM 772 CG LYS A 55 -0.124 -7.016 -15.792 1.00 0.00 C ATOM 773 CD LYS A 55 0.946 -7.973 -16.323 1.00 0.00 C ATOM 774 CE LYS A 55 0.637 -8.329 -17.779 1.00 0.00 C ATOM 775 NZ LYS A 55 -0.676 -9.031 -17.853 1.00 0.00 N ATOM 0 H LYS A 55 -0.186 -7.898 -12.470 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.288 -5.762 -14.017 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.486 -8.587 -14.355 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.882 -8.183 -15.335 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.715 -6.620 -16.618 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.346 -6.165 -15.299 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.930 -7.510 -16.252 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.974 -8.877 -15.715 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.613 -7.425 -18.388 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.424 -8.965 -18.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.778 -9.479 -18.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.722 -9.760 -17.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.445 -8.345 -17.712 1.00 0.00 H new ATOM 789 N GLN A 56 -3.458 -7.685 -12.574 1.00 0.00 N ATOM 790 CA GLN A 56 -4.926 -7.860 -12.391 1.00 0.00 C ATOM 791 C GLN A 56 -5.471 -6.768 -11.470 1.00 0.00 C ATOM 792 O GLN A 56 -6.519 -6.205 -11.719 1.00 0.00 O ATOM 793 CB GLN A 56 -5.211 -9.236 -11.788 1.00 0.00 C ATOM 794 CG GLN A 56 -5.884 -10.122 -12.839 1.00 0.00 C ATOM 795 CD GLN A 56 -6.606 -11.280 -12.149 1.00 0.00 C ATOM 796 OE1 GLN A 56 -7.161 -11.115 -11.081 1.00 0.00 O ATOM 797 NE2 GLN A 56 -6.621 -12.455 -12.718 1.00 0.00 N ATOM 0 H GLN A 56 -2.869 -8.174 -11.900 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.417 -7.784 -13.361 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.283 -9.696 -11.449 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.855 -9.136 -10.914 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.593 -9.535 -13.424 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.139 -10.508 -13.535 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.155 -12.593 -13.615 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.099 -13.235 -12.266 1.00 0.00 H new ATOM 806 N VAL A 57 -4.770 -6.452 -10.417 1.00 0.00 N ATOM 807 CA VAL A 57 -5.262 -5.384 -9.503 1.00 0.00 C ATOM 808 C VAL A 57 -4.986 -4.012 -10.117 1.00 0.00 C ATOM 809 O VAL A 57 -5.327 -2.994 -9.550 1.00 0.00 O ATOM 810 CB VAL A 57 -4.564 -5.493 -8.151 1.00 0.00 C ATOM 811 CG1 VAL A 57 -4.742 -6.914 -7.627 1.00 0.00 C ATOM 812 CG2 VAL A 57 -3.069 -5.176 -8.302 1.00 0.00 C ATOM 0 H VAL A 57 -3.885 -6.883 -10.151 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.336 -5.505 -9.360 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.000 -4.779 -7.452 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.248 -7.010 -6.660 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.804 -7.130 -7.515 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.300 -7.619 -8.331 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.580 -5.257 -7.331 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.615 -5.883 -8.997 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.949 -4.163 -8.686 1.00 0.00 H new ATOM 822 N ILE A 58 -4.373 -3.969 -11.270 1.00 0.00 N ATOM 823 CA ILE A 58 -4.094 -2.660 -11.899 1.00 0.00 C ATOM 824 C ILE A 58 -5.417 -2.081 -12.395 1.00 0.00 C ATOM 825 O ILE A 58 -6.132 -2.692 -13.164 1.00 0.00 O ATOM 826 CB ILE A 58 -3.064 -2.855 -13.037 1.00 0.00 C ATOM 827 CG1 ILE A 58 -1.711 -2.377 -12.522 1.00 0.00 C ATOM 828 CG2 ILE A 58 -3.429 -2.055 -14.300 1.00 0.00 C ATOM 829 CD1 ILE A 58 -0.595 -2.948 -13.397 1.00 0.00 C ATOM 0 H ILE A 58 -4.057 -4.784 -11.796 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.660 -1.955 -11.190 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.047 -3.909 -13.315 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.672 -1.288 -12.531 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.573 -2.692 -11.488 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.676 -2.225 -15.069 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.403 -2.379 -14.668 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.468 -0.993 -14.059 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.370 -2.604 -13.026 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.629 -4.037 -13.365 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.730 -2.611 -14.425 1.00 0.00 H new ATOM 841 N GLY A 59 -5.753 -0.914 -11.934 1.00 0.00 N ATOM 842 CA GLY A 59 -7.043 -0.298 -12.349 1.00 0.00 C ATOM 843 C GLY A 59 -8.137 -0.712 -11.358 1.00 0.00 C ATOM 844 O GLY A 59 -9.202 -0.129 -11.314 1.00 0.00 O ATOM 0 H GLY A 59 -5.192 -0.358 -11.288 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.950 0.788 -12.375 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.307 -0.620 -13.357 1.00 0.00 H new ATOM 848 N LYS A 60 -7.879 -1.715 -10.553 1.00 0.00 N ATOM 849 CA LYS A 60 -8.893 -2.163 -9.562 1.00 0.00 C ATOM 850 C LYS A 60 -8.867 -1.216 -8.367 1.00 0.00 C ATOM 851 O LYS A 60 -7.815 -0.809 -7.906 1.00 0.00 O ATOM 852 CB LYS A 60 -8.557 -3.584 -9.086 1.00 0.00 C ATOM 853 CG LYS A 60 -8.433 -4.518 -10.294 1.00 0.00 C ATOM 854 CD LYS A 60 -9.753 -4.532 -11.069 1.00 0.00 C ATOM 855 CE LYS A 60 -10.166 -5.980 -11.347 1.00 0.00 C ATOM 856 NZ LYS A 60 -11.512 -5.999 -11.985 1.00 0.00 N ATOM 0 H LYS A 60 -7.005 -2.241 -10.544 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.881 -2.160 -10.022 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.624 -3.578 -8.522 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.334 -3.946 -8.413 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.622 -4.185 -10.942 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.183 -5.526 -9.963 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.529 -4.025 -10.496 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.642 -3.988 -12.007 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.436 -6.459 -11.999 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.184 -6.549 -10.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.793 -6.982 -12.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.205 -5.558 -11.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.479 -5.470 -12.880 1.00 0.00 H new ATOM 870 N ASN A 61 -10.011 -0.865 -7.854 1.00 0.00 N ATOM 871 CA ASN A 61 -10.040 0.047 -6.683 1.00 0.00 C ATOM 872 C ASN A 61 -9.662 -0.748 -5.438 1.00 0.00 C ATOM 873 O ASN A 61 -10.405 -1.587 -4.972 1.00 0.00 O ATOM 874 CB ASN A 61 -11.444 0.633 -6.517 1.00 0.00 C ATOM 875 CG ASN A 61 -11.786 1.503 -7.730 1.00 0.00 C ATOM 876 OD1 ASN A 61 -12.888 1.451 -8.237 1.00 0.00 O ATOM 877 ND2 ASN A 61 -10.880 2.307 -8.221 1.00 0.00 N ATOM 0 H ASN A 61 -10.923 -1.169 -8.194 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.334 0.864 -6.831 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.174 -0.170 -6.416 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.495 1.227 -5.605 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.099 2.890 -9.029 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -9.954 2.352 -7.796 1.00 0.00 H new ATOM 884 N PHE A 62 -8.505 -0.501 -4.901 1.00 0.00 N ATOM 885 CA PHE A 62 -8.078 -1.252 -3.690 1.00 0.00 C ATOM 886 C PHE A 62 -8.940 -0.839 -2.500 1.00 0.00 C ATOM 887 O PHE A 62 -8.999 -1.527 -1.499 1.00 0.00 O ATOM 888 CB PHE A 62 -6.603 -0.924 -3.390 1.00 0.00 C ATOM 889 CG PHE A 62 -6.285 -1.165 -1.923 1.00 0.00 C ATOM 890 CD1 PHE A 62 -6.320 -2.462 -1.405 1.00 0.00 C ATOM 891 CD2 PHE A 62 -5.955 -0.090 -1.090 1.00 0.00 C ATOM 892 CE1 PHE A 62 -6.018 -2.688 -0.059 1.00 0.00 C ATOM 893 CE2 PHE A 62 -5.653 -0.314 0.258 1.00 0.00 C ATOM 894 CZ PHE A 62 -5.680 -1.617 0.772 1.00 0.00 C ATOM 0 H PHE A 62 -7.836 0.187 -5.246 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.192 -2.322 -3.864 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.955 -1.540 -4.013 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.397 0.116 -3.646 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.581 -3.291 -2.046 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.933 0.914 -1.488 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.046 -3.692 0.339 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.400 0.516 0.901 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.440 -1.793 1.810 1.00 0.00 H new ATOM 904 N PHE A 63 -9.561 0.296 -2.573 1.00 0.00 N ATOM 905 CA PHE A 63 -10.352 0.756 -1.410 1.00 0.00 C ATOM 906 C PHE A 63 -11.767 0.167 -1.428 1.00 0.00 C ATOM 907 O PHE A 63 -12.537 0.377 -0.510 1.00 0.00 O ATOM 908 CB PHE A 63 -10.424 2.281 -1.416 1.00 0.00 C ATOM 909 CG PHE A 63 -9.350 2.817 -0.503 1.00 0.00 C ATOM 910 CD1 PHE A 63 -9.522 2.751 0.883 1.00 0.00 C ATOM 911 CD2 PHE A 63 -8.178 3.364 -1.039 1.00 0.00 C ATOM 912 CE1 PHE A 63 -8.525 3.236 1.735 1.00 0.00 C ATOM 913 CE2 PHE A 63 -7.180 3.847 -0.186 1.00 0.00 C ATOM 914 CZ PHE A 63 -7.352 3.783 1.201 1.00 0.00 C ATOM 0 H PHE A 63 -9.556 0.920 -3.379 1.00 0.00 H new ATOM 0 HA PHE A 63 -9.858 0.412 -0.501 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -10.285 2.662 -2.428 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.406 2.615 -1.081 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -10.425 2.325 1.295 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.045 3.413 -2.110 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.660 3.189 2.806 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.276 4.270 -0.599 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.581 4.155 1.859 1.00 0.00 H new ATOM 924 N LYS A 64 -12.129 -0.565 -2.450 1.00 0.00 N ATOM 925 CA LYS A 64 -13.508 -1.141 -2.482 1.00 0.00 C ATOM 926 C LYS A 64 -13.559 -2.385 -3.375 1.00 0.00 C ATOM 927 O LYS A 64 -14.149 -3.387 -3.023 1.00 0.00 O ATOM 928 CB LYS A 64 -14.485 -0.099 -3.041 1.00 0.00 C ATOM 929 CG LYS A 64 -14.450 1.165 -2.179 1.00 0.00 C ATOM 930 CD LYS A 64 -15.557 2.121 -2.629 1.00 0.00 C ATOM 931 CE LYS A 64 -15.198 3.550 -2.218 1.00 0.00 C ATOM 932 NZ LYS A 64 -16.381 4.197 -1.584 1.00 0.00 N ATOM 0 H LYS A 64 -11.540 -0.787 -3.253 1.00 0.00 H new ATOM 0 HA LYS A 64 -13.785 -1.419 -1.465 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.220 0.145 -4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -15.495 -0.508 -3.060 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.584 0.906 -1.129 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.478 1.651 -2.266 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.684 2.064 -3.710 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -16.507 1.830 -2.181 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.359 3.540 -1.522 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.881 4.122 -3.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.137 5.169 -1.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -17.169 4.219 -2.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -16.663 3.655 -0.742 1.00 0.00 H new ATOM 946 N ASP A 65 -12.989 -2.318 -4.546 1.00 0.00 N ATOM 947 CA ASP A 65 -13.052 -3.482 -5.478 1.00 0.00 C ATOM 948 C ASP A 65 -11.997 -4.549 -5.150 1.00 0.00 C ATOM 949 O ASP A 65 -11.961 -5.584 -5.786 1.00 0.00 O ATOM 950 CB ASP A 65 -12.829 -2.986 -6.908 1.00 0.00 C ATOM 951 CG ASP A 65 -13.523 -3.928 -7.892 1.00 0.00 C ATOM 952 OD1 ASP A 65 -14.743 -3.934 -7.916 1.00 0.00 O ATOM 953 OD2 ASP A 65 -12.823 -4.631 -8.603 1.00 0.00 O ATOM 0 H ASP A 65 -12.481 -1.507 -4.900 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.034 -3.942 -5.369 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -13.222 -1.975 -7.018 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.762 -2.939 -7.125 1.00 0.00 H new ATOM 958 N VAL A 66 -11.136 -4.335 -4.187 1.00 0.00 N ATOM 959 CA VAL A 66 -10.117 -5.371 -3.885 1.00 0.00 C ATOM 960 C VAL A 66 -10.179 -5.720 -2.409 1.00 0.00 C ATOM 961 O VAL A 66 -10.379 -6.854 -2.018 1.00 0.00 O ATOM 962 CB VAL A 66 -8.730 -4.805 -4.159 1.00 0.00 C ATOM 963 CG1 VAL A 66 -7.715 -5.930 -4.197 1.00 0.00 C ATOM 964 CG2 VAL A 66 -8.687 -4.083 -5.496 1.00 0.00 C ATOM 0 H VAL A 66 -11.098 -3.497 -3.607 1.00 0.00 H new ATOM 0 HA VAL A 66 -10.309 -6.249 -4.501 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.496 -4.101 -3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.724 -5.520 -4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.710 -6.448 -3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.980 -6.633 -4.987 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.685 -3.689 -5.665 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.942 -4.780 -6.294 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -9.403 -3.261 -5.489 1.00 0.00 H new ATOM 974 N ALA A 67 -9.970 -4.735 -1.595 1.00 0.00 N ATOM 975 CA ALA A 67 -9.963 -4.942 -0.132 1.00 0.00 C ATOM 976 C ALA A 67 -11.238 -4.333 0.483 1.00 0.00 C ATOM 977 O ALA A 67 -11.356 -3.127 0.557 1.00 0.00 O ATOM 978 CB ALA A 67 -8.730 -4.227 0.404 1.00 0.00 C ATOM 0 H ALA A 67 -9.800 -3.773 -1.890 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.939 -6.002 0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.679 -4.351 1.486 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.836 -4.652 -0.052 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.791 -3.166 0.163 1.00 0.00 H new ATOM 984 N PRO A 68 -12.166 -5.175 0.898 1.00 0.00 N ATOM 985 CA PRO A 68 -13.435 -4.705 1.488 1.00 0.00 C ATOM 986 C PRO A 68 -13.244 -4.218 2.929 1.00 0.00 C ATOM 987 O PRO A 68 -14.191 -3.830 3.584 1.00 0.00 O ATOM 988 CB PRO A 68 -14.336 -5.942 1.445 1.00 0.00 C ATOM 989 CG PRO A 68 -13.395 -7.166 1.369 1.00 0.00 C ATOM 990 CD PRO A 68 -12.047 -6.652 0.832 1.00 0.00 C ATOM 0 HA PRO A 68 -13.851 -3.854 0.949 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -14.968 -5.993 2.332 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -15.000 -5.909 0.581 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.272 -7.622 2.351 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.807 -7.932 0.712 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.215 -7.012 1.437 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.870 -6.992 -0.188 1.00 0.00 H new ATOM 998 N CYS A 69 -12.039 -4.226 3.433 1.00 0.00 N ATOM 999 CA CYS A 69 -11.829 -3.752 4.831 1.00 0.00 C ATOM 1000 C CYS A 69 -11.179 -2.367 4.816 1.00 0.00 C ATOM 1001 O CYS A 69 -11.219 -1.650 5.789 1.00 0.00 O ATOM 1002 CB CYS A 69 -10.927 -4.734 5.592 1.00 0.00 C ATOM 1003 SG CYS A 69 -9.263 -4.744 4.872 1.00 0.00 S ATOM 0 H CYS A 69 -11.200 -4.537 2.944 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.795 -3.694 5.332 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -10.874 -4.451 6.643 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -11.354 -5.736 5.553 1.00 0.00 H new ATOM 1008 N THR A 70 -10.578 -1.983 3.722 1.00 0.00 N ATOM 1009 CA THR A 70 -9.923 -0.645 3.671 1.00 0.00 C ATOM 1010 C THR A 70 -10.978 0.458 3.542 1.00 0.00 C ATOM 1011 O THR A 70 -10.660 1.631 3.534 1.00 0.00 O ATOM 1012 CB THR A 70 -8.967 -0.597 2.480 1.00 0.00 C ATOM 1013 OG1 THR A 70 -9.704 -0.739 1.281 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.950 -1.733 2.607 1.00 0.00 C ATOM 0 H THR A 70 -10.512 -2.534 2.866 1.00 0.00 H new ATOM 0 HA THR A 70 -9.365 -0.483 4.593 1.00 0.00 H new ATOM 0 HB THR A 70 -8.441 0.357 2.464 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.041 -1.657 1.211 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.265 -1.704 1.760 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.387 -1.616 3.533 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.473 -2.690 2.619 1.00 0.00 H new ATOM 1022 N ASP A 71 -12.231 0.103 3.454 1.00 0.00 N ATOM 1023 CA ASP A 71 -13.284 1.147 3.347 1.00 0.00 C ATOM 1024 C ASP A 71 -13.756 1.516 4.753 1.00 0.00 C ATOM 1025 O ASP A 71 -14.931 1.482 5.059 1.00 0.00 O ATOM 1026 CB ASP A 71 -14.459 0.611 2.527 1.00 0.00 C ATOM 1027 CG ASP A 71 -15.412 1.758 2.182 1.00 0.00 C ATOM 1028 OD1 ASP A 71 -15.281 2.815 2.778 1.00 0.00 O ATOM 1029 OD2 ASP A 71 -16.258 1.560 1.325 1.00 0.00 O ATOM 0 H ASP A 71 -12.568 -0.860 3.452 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.883 2.030 2.850 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -14.094 0.142 1.614 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -14.988 -0.157 3.091 1.00 0.00 H new ATOM 1034 N SER A 72 -12.838 1.864 5.612 1.00 0.00 N ATOM 1035 CA SER A 72 -13.211 2.235 7.008 1.00 0.00 C ATOM 1036 C SER A 72 -12.661 3.634 7.324 1.00 0.00 C ATOM 1037 O SER A 72 -12.012 4.231 6.488 1.00 0.00 O ATOM 1038 CB SER A 72 -12.618 1.213 7.975 1.00 0.00 C ATOM 1039 OG SER A 72 -13.670 0.592 8.702 1.00 0.00 O ATOM 0 H SER A 72 -11.840 1.908 5.407 1.00 0.00 H new ATOM 0 HA SER A 72 -14.296 2.243 7.113 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.047 0.464 7.426 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.926 1.702 8.660 1.00 0.00 H new ATOM 0 HG SER A 72 -13.294 -0.066 9.323 1.00 0.00 H new ATOM 1045 N PRO A 73 -12.938 4.128 8.516 1.00 0.00 N ATOM 1046 CA PRO A 73 -12.478 5.467 8.941 1.00 0.00 C ATOM 1047 C PRO A 73 -10.999 5.447 9.355 1.00 0.00 C ATOM 1048 O PRO A 73 -10.437 6.463 9.711 1.00 0.00 O ATOM 1049 CB PRO A 73 -13.376 5.793 10.137 1.00 0.00 C ATOM 1050 CG PRO A 73 -13.892 4.441 10.682 1.00 0.00 C ATOM 1051 CD PRO A 73 -13.731 3.415 9.545 1.00 0.00 C ATOM 0 HA PRO A 73 -12.546 6.206 8.142 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -12.820 6.333 10.903 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.206 6.432 9.836 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.325 4.136 11.561 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -14.935 4.520 10.987 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.219 2.517 9.890 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -14.698 3.100 9.154 1.00 0.00 H new ATOM 1059 N GLU A 74 -10.361 4.307 9.310 1.00 0.00 N ATOM 1060 CA GLU A 74 -8.927 4.245 9.695 1.00 0.00 C ATOM 1061 C GLU A 74 -8.080 4.003 8.446 1.00 0.00 C ATOM 1062 O GLU A 74 -6.924 4.368 8.383 1.00 0.00 O ATOM 1063 CB GLU A 74 -8.706 3.106 10.687 1.00 0.00 C ATOM 1064 CG GLU A 74 -8.546 3.677 12.097 1.00 0.00 C ATOM 1065 CD GLU A 74 -9.915 3.764 12.772 1.00 0.00 C ATOM 1066 OE1 GLU A 74 -10.773 2.964 12.436 1.00 0.00 O ATOM 1067 OE2 GLU A 74 -10.083 4.628 13.617 1.00 0.00 O ATOM 0 H GLU A 74 -10.773 3.419 9.023 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.637 5.187 10.161 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.549 2.415 10.657 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.818 2.537 10.411 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.880 3.044 12.683 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.088 4.665 12.051 1.00 0.00 H new ATOM 1074 N PHE A 75 -8.656 3.399 7.447 1.00 0.00 N ATOM 1075 CA PHE A 75 -7.902 3.147 6.190 1.00 0.00 C ATOM 1076 C PHE A 75 -8.325 4.209 5.177 1.00 0.00 C ATOM 1077 O PHE A 75 -7.579 5.120 4.865 1.00 0.00 O ATOM 1078 CB PHE A 75 -8.233 1.747 5.660 1.00 0.00 C ATOM 1079 CG PHE A 75 -7.013 1.154 4.994 1.00 0.00 C ATOM 1080 CD1 PHE A 75 -6.472 1.773 3.862 1.00 0.00 C ATOM 1081 CD2 PHE A 75 -6.421 -0.010 5.504 1.00 0.00 C ATOM 1082 CE1 PHE A 75 -5.344 1.233 3.238 1.00 0.00 C ATOM 1083 CE2 PHE A 75 -5.287 -0.550 4.880 1.00 0.00 C ATOM 1084 CZ PHE A 75 -4.749 0.074 3.748 1.00 0.00 C ATOM 0 H PHE A 75 -9.621 3.068 7.447 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.828 3.199 6.366 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.561 1.106 6.478 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.057 1.802 4.949 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.927 2.670 3.469 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.838 -0.491 6.377 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.931 1.711 2.362 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.829 -1.446 5.272 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.874 -0.340 3.268 1.00 0.00 H new ATOM 1094 N TYR A 76 -9.533 4.131 4.691 1.00 0.00 N ATOM 1095 CA TYR A 76 -10.003 5.166 3.735 1.00 0.00 C ATOM 1096 C TYR A 76 -10.234 6.466 4.508 1.00 0.00 C ATOM 1097 O TYR A 76 -10.298 7.525 3.936 1.00 0.00 O ATOM 1098 CB TYR A 76 -11.309 4.718 3.077 1.00 0.00 C ATOM 1099 CG TYR A 76 -11.557 5.537 1.830 1.00 0.00 C ATOM 1100 CD1 TYR A 76 -10.529 5.734 0.895 1.00 0.00 C ATOM 1101 CD2 TYR A 76 -12.820 6.097 1.605 1.00 0.00 C ATOM 1102 CE1 TYR A 76 -10.766 6.487 -0.262 1.00 0.00 C ATOM 1103 CE2 TYR A 76 -13.058 6.851 0.450 1.00 0.00 C ATOM 1104 CZ TYR A 76 -12.030 7.047 -0.485 1.00 0.00 C ATOM 1105 OH TYR A 76 -12.264 7.790 -1.627 1.00 0.00 O ATOM 0 H TYR A 76 -10.209 3.400 4.914 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.256 5.318 2.956 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.256 3.659 2.824 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -12.139 4.838 3.774 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.553 5.304 1.068 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.612 5.947 2.324 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.974 6.636 -0.982 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -14.033 7.282 0.278 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.192 8.105 -1.628 1.00 0.00 H new ATOM 1115 N GLY A 77 -10.358 6.384 5.810 1.00 0.00 N ATOM 1116 CA GLY A 77 -10.567 7.610 6.635 1.00 0.00 C ATOM 1117 C GLY A 77 -9.341 8.515 6.552 1.00 0.00 C ATOM 1118 O GLY A 77 -9.400 9.624 6.058 1.00 0.00 O ATOM 0 H GLY A 77 -10.323 5.512 6.339 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.449 8.147 6.285 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.754 7.332 7.672 1.00 0.00 H new ATOM 1122 N LYS A 78 -8.230 8.049 7.054 1.00 0.00 N ATOM 1123 CA LYS A 78 -6.989 8.878 7.034 1.00 0.00 C ATOM 1124 C LYS A 78 -6.582 9.167 5.594 1.00 0.00 C ATOM 1125 O LYS A 78 -5.792 10.046 5.325 1.00 0.00 O ATOM 1126 CB LYS A 78 -5.862 8.137 7.765 1.00 0.00 C ATOM 1127 CG LYS A 78 -6.405 7.442 9.029 1.00 0.00 C ATOM 1128 CD LYS A 78 -7.492 8.297 9.702 1.00 0.00 C ATOM 1129 CE LYS A 78 -7.361 8.196 11.222 1.00 0.00 C ATOM 1130 NZ LYS A 78 -5.997 8.636 11.632 1.00 0.00 N ATOM 0 H LYS A 78 -8.127 7.127 7.479 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.179 9.824 7.541 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.414 7.398 7.101 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.075 8.839 8.039 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.815 6.467 8.765 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.590 7.265 9.730 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.397 9.336 9.388 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.480 7.958 9.389 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.116 8.817 11.705 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.537 7.170 11.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.058 9.171 12.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.390 7.803 11.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.590 9.242 10.891 1.00 0.00 H new ATOM 1144 N PHE A 79 -7.111 8.424 4.673 1.00 0.00 N ATOM 1145 CA PHE A 79 -6.778 8.628 3.251 1.00 0.00 C ATOM 1146 C PHE A 79 -7.644 9.743 2.670 1.00 0.00 C ATOM 1147 O PHE A 79 -7.196 10.517 1.862 1.00 0.00 O ATOM 1148 CB PHE A 79 -7.060 7.319 2.533 1.00 0.00 C ATOM 1149 CG PHE A 79 -7.016 7.475 1.027 1.00 0.00 C ATOM 1150 CD1 PHE A 79 -8.112 8.035 0.357 1.00 0.00 C ATOM 1151 CD2 PHE A 79 -5.904 7.033 0.297 1.00 0.00 C ATOM 1152 CE1 PHE A 79 -8.096 8.149 -1.037 1.00 0.00 C ATOM 1153 CE2 PHE A 79 -5.891 7.153 -1.094 1.00 0.00 C ATOM 1154 CZ PHE A 79 -6.987 7.705 -1.760 1.00 0.00 C ATOM 0 H PHE A 79 -7.773 7.669 4.853 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.733 8.916 3.132 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.329 6.572 2.841 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.040 6.947 2.830 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.969 8.379 0.917 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.058 6.600 0.810 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.941 8.580 -1.554 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.032 6.818 -1.656 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.977 7.789 -2.837 1.00 0.00 H new ATOM 1164 N LYS A 80 -8.874 9.830 3.073 1.00 0.00 N ATOM 1165 CA LYS A 80 -9.749 10.891 2.536 1.00 0.00 C ATOM 1166 C LYS A 80 -9.387 12.215 3.194 1.00 0.00 C ATOM 1167 O LYS A 80 -9.790 13.271 2.747 1.00 0.00 O ATOM 1168 CB LYS A 80 -11.210 10.555 2.834 1.00 0.00 C ATOM 1169 CG LYS A 80 -11.889 10.040 1.564 1.00 0.00 C ATOM 1170 CD LYS A 80 -13.321 10.574 1.498 1.00 0.00 C ATOM 1171 CE LYS A 80 -13.294 12.088 1.280 1.00 0.00 C ATOM 1172 NZ LYS A 80 -14.204 12.448 0.155 1.00 0.00 N ATOM 0 H LYS A 80 -9.310 9.208 3.754 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.613 10.966 1.457 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.267 9.802 3.620 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.729 11.440 3.202 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.330 10.360 0.685 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.896 8.950 1.559 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.864 10.089 0.687 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.851 10.339 2.421 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.603 12.602 2.190 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.278 12.416 1.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.184 13.477 0.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.890 11.969 -0.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.174 12.149 0.384 1.00 0.00 H new ATOM 1186 N GLU A 81 -8.610 12.173 4.240 1.00 0.00 N ATOM 1187 CA GLU A 81 -8.209 13.449 4.898 1.00 0.00 C ATOM 1188 C GLU A 81 -6.835 13.831 4.373 1.00 0.00 C ATOM 1189 O GLU A 81 -6.572 14.971 4.049 1.00 0.00 O ATOM 1190 CB GLU A 81 -8.177 13.296 6.422 1.00 0.00 C ATOM 1191 CG GLU A 81 -7.240 12.160 6.817 1.00 0.00 C ATOM 1192 CD GLU A 81 -7.176 12.067 8.343 1.00 0.00 C ATOM 1193 OE1 GLU A 81 -8.176 12.357 8.978 1.00 0.00 O ATOM 1194 OE2 GLU A 81 -6.126 11.707 8.850 1.00 0.00 O ATOM 0 H GLU A 81 -8.239 11.323 4.664 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.935 14.229 4.668 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.845 14.227 6.881 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.181 13.096 6.796 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.594 11.218 6.398 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.244 12.336 6.409 1.00 0.00 H new ATOM 1201 N GLY A 82 -5.965 12.868 4.259 1.00 0.00 N ATOM 1202 CA GLY A 82 -4.609 13.153 3.718 1.00 0.00 C ATOM 1203 C GLY A 82 -4.784 13.703 2.308 1.00 0.00 C ATOM 1204 O GLY A 82 -4.102 14.617 1.888 1.00 0.00 O ATOM 0 H GLY A 82 -6.135 11.896 4.517 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.088 13.874 4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.004 12.247 3.703 1.00 0.00 H new ATOM 1208 N VAL A 83 -5.712 13.148 1.580 1.00 0.00 N ATOM 1209 CA VAL A 83 -5.969 13.624 0.194 1.00 0.00 C ATOM 1210 C VAL A 83 -6.391 15.099 0.230 1.00 0.00 C ATOM 1211 O VAL A 83 -5.928 15.906 -0.552 1.00 0.00 O ATOM 1212 CB VAL A 83 -7.094 12.785 -0.422 1.00 0.00 C ATOM 1213 CG1 VAL A 83 -7.457 13.328 -1.804 1.00 0.00 C ATOM 1214 CG2 VAL A 83 -6.634 11.333 -0.553 1.00 0.00 C ATOM 0 H VAL A 83 -6.307 12.379 1.889 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.064 13.522 -0.405 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.970 12.837 0.224 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.257 12.725 -2.233 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.791 14.362 -1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.582 13.285 -2.453 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.434 10.736 -0.991 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.754 11.287 -1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.386 10.940 0.433 1.00 0.00 H new ATOM 1224 N ALA A 84 -7.277 15.453 1.124 1.00 0.00 N ATOM 1225 CA ALA A 84 -7.743 16.870 1.201 1.00 0.00 C ATOM 1226 C ALA A 84 -6.775 17.712 2.041 1.00 0.00 C ATOM 1227 O ALA A 84 -6.947 18.907 2.180 1.00 0.00 O ATOM 1228 CB ALA A 84 -9.127 16.908 1.847 1.00 0.00 C ATOM 0 H ALA A 84 -7.699 14.821 1.805 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.784 17.281 0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.473 17.940 1.906 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.825 16.325 1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.072 16.486 2.850 1.00 0.00 H new ATOM 1234 N SER A 85 -5.763 17.112 2.604 1.00 0.00 N ATOM 1235 CA SER A 85 -4.806 17.899 3.429 1.00 0.00 C ATOM 1236 C SER A 85 -3.585 18.263 2.584 1.00 0.00 C ATOM 1237 O SER A 85 -2.895 19.225 2.855 1.00 0.00 O ATOM 1238 CB SER A 85 -4.362 17.065 4.631 1.00 0.00 C ATOM 1239 OG SER A 85 -5.013 17.540 5.801 1.00 0.00 O ATOM 0 H SER A 85 -5.558 16.116 2.529 1.00 0.00 H new ATOM 0 HA SER A 85 -5.292 18.810 3.778 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.604 16.015 4.468 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.281 17.128 4.752 1.00 0.00 H new ATOM 0 HG SER A 85 -4.731 17.005 6.572 1.00 0.00 H new ATOM 1245 N GLY A 86 -3.309 17.497 1.566 1.00 0.00 N ATOM 1246 CA GLY A 86 -2.128 17.794 0.709 1.00 0.00 C ATOM 1247 C GLY A 86 -0.863 17.220 1.356 1.00 0.00 C ATOM 1248 O GLY A 86 0.243 17.562 0.989 1.00 0.00 O ATOM 0 H GLY A 86 -3.850 16.678 1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.268 17.363 -0.282 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.024 18.871 0.577 1.00 0.00 H new ATOM 1252 N ASN A 87 -1.018 16.346 2.317 1.00 0.00 N ATOM 1253 CA ASN A 87 0.170 15.746 2.984 1.00 0.00 C ATOM 1254 C ASN A 87 -0.235 14.406 3.589 1.00 0.00 C ATOM 1255 O ASN A 87 -0.081 14.171 4.773 1.00 0.00 O ATOM 1256 CB ASN A 87 0.666 16.680 4.092 1.00 0.00 C ATOM 1257 CG ASN A 87 1.088 18.016 3.482 1.00 0.00 C ATOM 1258 OD1 ASN A 87 0.467 19.032 3.724 1.00 0.00 O ATOM 1259 ND2 ASN A 87 2.127 18.060 2.695 1.00 0.00 N ATOM 0 H ASN A 87 -1.920 16.023 2.668 1.00 0.00 H new ATOM 0 HA ASN A 87 0.970 15.601 2.258 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -0.121 16.837 4.829 1.00 0.00 H new ATOM 0 HB3 ASN A 87 1.507 16.226 4.616 1.00 0.00 H new ATOM 0 HD21 ASN A 87 2.418 18.947 2.283 1.00 0.00 H new ATOM 0 HD22 ASN A 87 2.649 17.208 2.491 1.00 0.00 H new ATOM 1266 N LEU A 88 -0.760 13.525 2.784 1.00 0.00 N ATOM 1267 CA LEU A 88 -1.190 12.195 3.298 1.00 0.00 C ATOM 1268 C LEU A 88 -0.064 11.557 4.113 1.00 0.00 C ATOM 1269 O LEU A 88 1.022 11.331 3.623 1.00 0.00 O ATOM 1270 CB LEU A 88 -1.544 11.285 2.122 1.00 0.00 C ATOM 1271 CG LEU A 88 -2.611 10.283 2.558 1.00 0.00 C ATOM 1272 CD1 LEU A 88 -3.816 10.383 1.621 1.00 0.00 C ATOM 1273 CD2 LEU A 88 -2.035 8.866 2.499 1.00 0.00 C ATOM 0 H LEU A 88 -0.911 13.670 1.786 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.063 12.326 3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.909 11.880 1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.655 10.758 1.775 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.924 10.505 3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.578 9.668 1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.226 11.392 1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.503 10.160 0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.796 8.151 2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.722 8.643 1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.176 8.794 3.166 1.00 0.00 H new ATOM 1285 N ASN A 89 -0.317 11.268 5.357 1.00 0.00 N ATOM 1286 CA ASN A 89 0.735 10.646 6.204 1.00 0.00 C ATOM 1287 C ASN A 89 0.073 9.981 7.408 1.00 0.00 C ATOM 1288 O ASN A 89 -0.093 10.587 8.448 1.00 0.00 O ATOM 1289 CB ASN A 89 1.708 11.723 6.684 1.00 0.00 C ATOM 1290 CG ASN A 89 0.921 12.913 7.235 1.00 0.00 C ATOM 1291 OD1 ASN A 89 -0.266 12.814 7.473 1.00 0.00 O ATOM 1292 ND2 ASN A 89 1.535 14.045 7.447 1.00 0.00 N ATOM 0 H ASN A 89 -1.208 11.436 5.824 1.00 0.00 H new ATOM 0 HA ASN A 89 1.282 9.901 5.626 1.00 0.00 H new ATOM 0 HB2 ASN A 89 2.363 11.318 7.455 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.346 12.045 5.861 1.00 0.00 H new ATOM 0 HD21 ASN A 89 1.018 14.845 7.812 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.532 14.130 7.248 1.00 0.00 H new ATOM 1299 N THR A 90 -0.318 8.744 7.277 1.00 0.00 N ATOM 1300 CA THR A 90 -0.978 8.061 8.423 1.00 0.00 C ATOM 1301 C THR A 90 -0.625 6.573 8.423 1.00 0.00 C ATOM 1302 O THR A 90 -0.077 6.051 7.475 1.00 0.00 O ATOM 1303 CB THR A 90 -2.495 8.219 8.299 1.00 0.00 C ATOM 1304 OG1 THR A 90 -3.125 7.592 9.407 1.00 0.00 O ATOM 1305 CG2 THR A 90 -2.975 7.570 7.000 1.00 0.00 C ATOM 0 H THR A 90 -0.210 8.181 6.433 1.00 0.00 H new ATOM 0 HA THR A 90 -0.631 8.510 9.354 1.00 0.00 H new ATOM 0 HB THR A 90 -2.751 9.278 8.286 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.644 8.256 9.907 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.056 7.684 6.914 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.491 8.053 6.151 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.721 6.510 7.008 1.00 0.00 H new ATOM 1313 N MET A 91 -0.947 5.888 9.485 1.00 0.00 N ATOM 1314 CA MET A 91 -0.649 4.431 9.562 1.00 0.00 C ATOM 1315 C MET A 91 -1.628 3.785 10.540 1.00 0.00 C ATOM 1316 O MET A 91 -2.358 4.466 11.233 1.00 0.00 O ATOM 1317 CB MET A 91 0.789 4.222 10.050 1.00 0.00 C ATOM 1318 CG MET A 91 0.968 4.866 11.427 1.00 0.00 C ATOM 1319 SD MET A 91 2.159 3.903 12.392 1.00 0.00 S ATOM 1320 CE MET A 91 2.905 5.286 13.290 1.00 0.00 C ATOM 0 H MET A 91 -1.407 6.278 10.308 1.00 0.00 H new ATOM 0 HA MET A 91 -0.754 3.976 8.577 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.013 3.157 10.105 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.491 4.659 9.340 1.00 0.00 H new ATOM 0 HG2 MET A 91 1.317 5.893 11.318 1.00 0.00 H new ATOM 0 HG3 MET A 91 0.011 4.909 11.948 1.00 0.00 H new ATOM 0 HE1 MET A 91 3.682 4.911 13.956 1.00 0.00 H new ATOM 0 HE2 MET A 91 3.344 5.987 12.580 1.00 0.00 H new ATOM 0 HE3 MET A 91 2.139 5.795 13.875 1.00 0.00 H new ATOM 1330 N PHE A 92 -1.663 2.482 10.609 1.00 0.00 N ATOM 1331 CA PHE A 92 -2.614 1.825 11.555 1.00 0.00 C ATOM 1332 C PHE A 92 -2.490 0.305 11.458 1.00 0.00 C ATOM 1333 O PHE A 92 -2.134 -0.234 10.434 1.00 0.00 O ATOM 1334 CB PHE A 92 -4.045 2.238 11.207 1.00 0.00 C ATOM 1335 CG PHE A 92 -4.267 2.079 9.724 1.00 0.00 C ATOM 1336 CD1 PHE A 92 -4.330 0.802 9.158 1.00 0.00 C ATOM 1337 CD2 PHE A 92 -4.411 3.211 8.915 1.00 0.00 C ATOM 1338 CE1 PHE A 92 -4.529 0.657 7.784 1.00 0.00 C ATOM 1339 CE2 PHE A 92 -4.613 3.064 7.538 1.00 0.00 C ATOM 1340 CZ PHE A 92 -4.671 1.785 6.976 1.00 0.00 C ATOM 0 H PHE A 92 -1.082 1.849 10.059 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.375 2.138 12.571 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.757 1.625 11.760 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.218 3.273 11.503 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.225 -0.072 9.784 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.366 4.197 9.353 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.573 -0.329 7.346 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.724 3.936 6.911 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.826 1.670 5.913 1.00 0.00 H new ATOM 1350 N GLU A 93 -2.795 -0.386 12.519 1.00 0.00 N ATOM 1351 CA GLU A 93 -2.706 -1.872 12.494 1.00 0.00 C ATOM 1352 C GLU A 93 -3.961 -2.429 11.827 1.00 0.00 C ATOM 1353 O GLU A 93 -5.051 -2.329 12.355 1.00 0.00 O ATOM 1354 CB GLU A 93 -2.610 -2.402 13.927 1.00 0.00 C ATOM 1355 CG GLU A 93 -1.203 -2.154 14.474 1.00 0.00 C ATOM 1356 CD GLU A 93 -1.250 -2.103 16.002 1.00 0.00 C ATOM 1357 OE1 GLU A 93 -1.616 -3.103 16.598 1.00 0.00 O ATOM 1358 OE2 GLU A 93 -0.920 -1.064 16.551 1.00 0.00 O ATOM 0 H GLU A 93 -3.103 0.015 13.405 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.822 -2.182 11.937 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.349 -1.908 14.558 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.836 -3.468 13.947 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.529 -2.946 14.147 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.808 -1.217 14.080 1.00 0.00 H new ATOM 1365 N TYR A 94 -3.826 -3.006 10.666 1.00 0.00 N ATOM 1366 CA TYR A 94 -5.024 -3.552 9.974 1.00 0.00 C ATOM 1367 C TYR A 94 -4.939 -5.075 9.907 1.00 0.00 C ATOM 1368 O TYR A 94 -4.001 -5.681 10.385 1.00 0.00 O ATOM 1369 CB TYR A 94 -5.085 -2.989 8.553 1.00 0.00 C ATOM 1370 CG TYR A 94 -6.441 -2.371 8.315 1.00 0.00 C ATOM 1371 CD1 TYR A 94 -6.934 -1.408 9.203 1.00 0.00 C ATOM 1372 CD2 TYR A 94 -7.203 -2.760 7.207 1.00 0.00 C ATOM 1373 CE1 TYR A 94 -8.190 -0.834 8.983 1.00 0.00 C ATOM 1374 CE2 TYR A 94 -8.461 -2.188 6.986 1.00 0.00 C ATOM 1375 CZ TYR A 94 -8.954 -1.221 7.877 1.00 0.00 C ATOM 1376 OH TYR A 94 -10.190 -0.647 7.668 1.00 0.00 O ATOM 0 H TYR A 94 -2.943 -3.122 10.169 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.919 -3.266 10.527 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.303 -2.242 8.412 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.903 -3.782 7.828 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.345 -1.109 10.057 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.820 -3.502 6.522 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.571 -0.091 9.668 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -9.051 -2.489 6.133 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.729 -1.231 7.094 1.00 0.00 H new ATOM 1386 N THR A 95 -5.913 -5.692 9.305 1.00 0.00 N ATOM 1387 CA THR A 95 -5.903 -7.173 9.185 1.00 0.00 C ATOM 1388 C THR A 95 -6.551 -7.559 7.857 1.00 0.00 C ATOM 1389 O THR A 95 -7.744 -7.419 7.675 1.00 0.00 O ATOM 1390 CB THR A 95 -6.690 -7.792 10.344 1.00 0.00 C ATOM 1391 OG1 THR A 95 -6.053 -7.469 11.573 1.00 0.00 O ATOM 1392 CG2 THR A 95 -6.740 -9.313 10.179 1.00 0.00 C ATOM 0 H THR A 95 -6.721 -5.231 8.888 1.00 0.00 H new ATOM 0 HA THR A 95 -4.878 -7.542 9.220 1.00 0.00 H new ATOM 0 HB THR A 95 -7.706 -7.396 10.344 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.556 -7.863 12.316 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.301 -9.750 11.005 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.229 -9.561 9.237 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.726 -9.712 10.177 1.00 0.00 H new ATOM 1400 N PHE A 96 -5.778 -8.042 6.927 1.00 0.00 N ATOM 1401 CA PHE A 96 -6.363 -8.433 5.613 1.00 0.00 C ATOM 1402 C PHE A 96 -7.027 -9.802 5.761 1.00 0.00 C ATOM 1403 O PHE A 96 -6.391 -10.829 5.631 1.00 0.00 O ATOM 1404 CB PHE A 96 -5.259 -8.507 4.545 1.00 0.00 C ATOM 1405 CG PHE A 96 -4.693 -7.127 4.222 1.00 0.00 C ATOM 1406 CD1 PHE A 96 -5.303 -5.953 4.701 1.00 0.00 C ATOM 1407 CD2 PHE A 96 -3.542 -7.032 3.427 1.00 0.00 C ATOM 1408 CE1 PHE A 96 -4.760 -4.700 4.386 1.00 0.00 C ATOM 1409 CE2 PHE A 96 -3.002 -5.778 3.112 1.00 0.00 C ATOM 1410 CZ PHE A 96 -3.611 -4.613 3.591 1.00 0.00 C ATOM 0 H PHE A 96 -4.772 -8.183 7.017 1.00 0.00 H new ATOM 0 HA PHE A 96 -7.099 -7.691 5.304 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -4.457 -9.157 4.895 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.660 -8.957 3.637 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -6.191 -6.018 5.312 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -3.070 -7.929 3.056 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.229 -3.800 4.757 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.115 -5.711 2.499 1.00 0.00 H new ATOM 0 HZ PHE A 96 -3.195 -3.647 3.347 1.00 0.00 H new ATOM 1420 N ASP A 97 -8.302 -9.823 6.043 1.00 0.00 N ATOM 1421 CA ASP A 97 -9.006 -11.125 6.213 1.00 0.00 C ATOM 1422 C ASP A 97 -10.064 -11.284 5.123 1.00 0.00 C ATOM 1423 O ASP A 97 -11.080 -11.921 5.320 1.00 0.00 O ATOM 1424 CB ASP A 97 -9.678 -11.166 7.588 1.00 0.00 C ATOM 1425 CG ASP A 97 -9.908 -12.621 8.001 1.00 0.00 C ATOM 1426 OD1 ASP A 97 -10.762 -13.259 7.408 1.00 0.00 O ATOM 1427 OD2 ASP A 97 -9.226 -13.075 8.906 1.00 0.00 O ATOM 0 H ASP A 97 -8.885 -8.995 6.163 1.00 0.00 H new ATOM 0 HA ASP A 97 -8.284 -11.938 6.136 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -9.053 -10.662 8.325 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -10.627 -10.631 7.557 1.00 0.00 H new ATOM 1432 N TYR A 98 -9.827 -10.731 3.969 1.00 0.00 N ATOM 1433 CA TYR A 98 -10.814 -10.880 2.868 1.00 0.00 C ATOM 1434 C TYR A 98 -10.613 -12.274 2.268 1.00 0.00 C ATOM 1435 O TYR A 98 -9.558 -12.837 2.439 1.00 0.00 O ATOM 1436 CB TYR A 98 -10.590 -9.766 1.814 1.00 0.00 C ATOM 1437 CG TYR A 98 -9.583 -10.193 0.758 1.00 0.00 C ATOM 1438 CD1 TYR A 98 -8.399 -10.837 1.136 1.00 0.00 C ATOM 1439 CD2 TYR A 98 -9.849 -9.955 -0.592 1.00 0.00 C ATOM 1440 CE1 TYR A 98 -7.480 -11.245 0.163 1.00 0.00 C ATOM 1441 CE2 TYR A 98 -8.930 -10.362 -1.569 1.00 0.00 C ATOM 1442 CZ TYR A 98 -7.746 -11.008 -1.192 1.00 0.00 C ATOM 1443 OH TYR A 98 -6.841 -11.410 -2.153 1.00 0.00 O ATOM 0 H TYR A 98 -8.996 -10.185 3.741 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.838 -10.780 3.229 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -11.538 -9.520 1.336 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.238 -8.861 2.309 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -8.194 -11.019 2.181 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.762 -9.458 -0.883 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -6.567 -11.742 0.456 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -9.135 -10.177 -2.613 1.00 0.00 H new ATOM 0 HH TYR A 98 -6.067 -11.826 -1.720 1.00 0.00 H new ATOM 1453 N GLN A 99 -11.613 -12.801 1.580 1.00 0.00 N ATOM 1454 CA GLN A 99 -11.554 -14.175 0.931 1.00 0.00 C ATOM 1455 C GLN A 99 -10.174 -14.831 1.067 1.00 0.00 C ATOM 1456 O GLN A 99 -9.449 -14.992 0.106 1.00 0.00 O ATOM 1457 CB GLN A 99 -11.899 -14.037 -0.553 1.00 0.00 C ATOM 1458 CG GLN A 99 -10.957 -13.024 -1.204 1.00 0.00 C ATOM 1459 CD GLN A 99 -10.161 -13.710 -2.316 1.00 0.00 C ATOM 1460 OE1 GLN A 99 -9.943 -14.904 -2.274 1.00 0.00 O ATOM 1461 NE2 GLN A 99 -9.714 -12.999 -3.314 1.00 0.00 N ATOM 0 H GLN A 99 -12.501 -12.320 1.435 1.00 0.00 H new ATOM 0 HA GLN A 99 -12.272 -14.815 1.445 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -11.810 -15.003 -1.049 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.934 -13.714 -0.668 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -11.528 -12.190 -1.612 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.278 -12.611 -0.458 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -9.898 -11.996 -3.348 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -9.181 -13.446 -4.060 1.00 0.00 H new ATOM 1470 N MET A 100 -9.805 -15.179 2.266 1.00 0.00 N ATOM 1471 CA MET A 100 -8.466 -15.791 2.495 1.00 0.00 C ATOM 1472 C MET A 100 -8.279 -16.046 3.991 1.00 0.00 C ATOM 1473 O MET A 100 -9.232 -16.143 4.739 1.00 0.00 O ATOM 1474 CB MET A 100 -7.382 -14.815 2.016 1.00 0.00 C ATOM 1475 CG MET A 100 -6.426 -15.530 1.056 1.00 0.00 C ATOM 1476 SD MET A 100 -4.761 -15.582 1.768 1.00 0.00 S ATOM 1477 CE MET A 100 -4.606 -13.816 2.137 1.00 0.00 C ATOM 0 H MET A 100 -10.376 -15.066 3.103 1.00 0.00 H new ATOM 0 HA MET A 100 -8.391 -16.730 1.947 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.843 -13.962 1.517 1.00 0.00 H new ATOM 0 HB3 MET A 100 -6.829 -14.424 2.870 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.780 -16.543 0.863 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.405 -15.012 0.097 1.00 0.00 H new ATOM 0 HE1 MET A 100 -3.553 -13.533 2.126 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.144 -13.239 1.385 1.00 0.00 H new ATOM 0 HE3 MET A 100 -5.027 -13.612 3.122 1.00 0.00 H new ATOM 1487 N THR A 101 -7.054 -16.140 4.437 1.00 0.00 N ATOM 1488 CA THR A 101 -6.800 -16.369 5.887 1.00 0.00 C ATOM 1489 C THR A 101 -6.662 -15.009 6.587 1.00 0.00 C ATOM 1490 O THR A 101 -6.675 -13.984 5.934 1.00 0.00 O ATOM 1491 CB THR A 101 -5.508 -17.173 6.069 1.00 0.00 C ATOM 1492 OG1 THR A 101 -4.870 -17.343 4.812 1.00 0.00 O ATOM 1493 CG2 THR A 101 -5.839 -18.542 6.663 1.00 0.00 C ATOM 0 H THR A 101 -6.218 -16.068 3.857 1.00 0.00 H new ATOM 0 HA THR A 101 -7.629 -16.929 6.321 1.00 0.00 H new ATOM 0 HB THR A 101 -4.840 -16.636 6.743 1.00 0.00 H new ATOM 0 HG1 THR A 101 -4.447 -16.501 4.544 1.00 0.00 H new ATOM 0 HG21 THR A 101 -4.920 -19.114 6.793 1.00 0.00 H new ATOM 0 HG22 THR A 101 -6.325 -18.411 7.630 1.00 0.00 H new ATOM 0 HG23 THR A 101 -6.509 -19.078 5.990 1.00 0.00 H new ATOM 1501 N PRO A 102 -6.539 -15.028 7.898 1.00 0.00 N ATOM 1502 CA PRO A 102 -6.405 -13.791 8.690 1.00 0.00 C ATOM 1503 C PRO A 102 -4.970 -13.256 8.623 1.00 0.00 C ATOM 1504 O PRO A 102 -4.076 -13.768 9.269 1.00 0.00 O ATOM 1505 CB PRO A 102 -6.752 -14.237 10.113 1.00 0.00 C ATOM 1506 CG PRO A 102 -6.508 -15.765 10.166 1.00 0.00 C ATOM 1507 CD PRO A 102 -6.523 -16.267 8.710 1.00 0.00 C ATOM 0 HA PRO A 102 -7.044 -12.985 8.330 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.131 -13.719 10.844 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.789 -14.001 10.352 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.553 -15.988 10.642 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.281 -16.260 10.754 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.646 -16.876 8.490 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.399 -16.885 8.511 1.00 0.00 H new ATOM 1515 N THR A 103 -4.742 -12.225 7.854 1.00 0.00 N ATOM 1516 CA THR A 103 -3.366 -11.656 7.760 1.00 0.00 C ATOM 1517 C THR A 103 -3.272 -10.430 8.673 1.00 0.00 C ATOM 1518 O THR A 103 -4.209 -9.673 8.819 1.00 0.00 O ATOM 1519 CB THR A 103 -3.069 -11.246 6.303 1.00 0.00 C ATOM 1520 OG1 THR A 103 -2.857 -12.416 5.523 1.00 0.00 O ATOM 1521 CG2 THR A 103 -1.814 -10.352 6.234 1.00 0.00 C ATOM 0 H THR A 103 -5.447 -11.753 7.288 1.00 0.00 H new ATOM 0 HA THR A 103 -2.637 -12.404 8.072 1.00 0.00 H new ATOM 0 HB THR A 103 -3.919 -10.684 5.915 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.669 -12.161 4.595 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.622 -10.074 5.198 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.975 -9.452 6.827 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.957 -10.897 6.628 1.00 0.00 H new ATOM 1529 N LYS A 104 -2.133 -10.221 9.266 1.00 0.00 N ATOM 1530 CA LYS A 104 -1.957 -9.037 10.145 1.00 0.00 C ATOM 1531 C LYS A 104 -0.839 -8.178 9.568 1.00 0.00 C ATOM 1532 O LYS A 104 0.188 -8.684 9.159 1.00 0.00 O ATOM 1533 CB LYS A 104 -1.576 -9.487 11.556 1.00 0.00 C ATOM 1534 CG LYS A 104 -2.263 -8.582 12.580 1.00 0.00 C ATOM 1535 CD LYS A 104 -3.544 -9.255 13.077 1.00 0.00 C ATOM 1536 CE LYS A 104 -3.331 -9.763 14.503 1.00 0.00 C ATOM 1537 NZ LYS A 104 -4.653 -9.933 15.170 1.00 0.00 N ATOM 0 H LYS A 104 -1.313 -10.822 9.179 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.886 -8.470 10.197 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.874 -10.524 11.712 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.494 -9.444 11.684 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.593 -8.388 13.417 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.497 -7.618 12.130 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.373 -8.548 13.051 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.811 -10.083 12.420 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -2.795 -10.712 14.487 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -2.716 -9.059 15.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.510 -10.279 16.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -5.148 -9.019 15.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.224 -10.620 14.638 1.00 0.00 H new ATOM 1551 N VAL A 105 -1.019 -6.889 9.514 1.00 0.00 N ATOM 1552 CA VAL A 105 0.052 -6.030 8.943 1.00 0.00 C ATOM 1553 C VAL A 105 -0.013 -4.620 9.526 1.00 0.00 C ATOM 1554 O VAL A 105 -1.074 -4.072 9.742 1.00 0.00 O ATOM 1555 CB VAL A 105 -0.130 -5.927 7.422 1.00 0.00 C ATOM 1556 CG1 VAL A 105 -0.237 -7.326 6.815 1.00 0.00 C ATOM 1557 CG2 VAL A 105 -1.411 -5.146 7.092 1.00 0.00 C ATOM 0 H VAL A 105 -1.852 -6.397 9.837 1.00 0.00 H new ATOM 0 HA VAL A 105 1.014 -6.480 9.188 1.00 0.00 H new ATOM 0 HB VAL A 105 0.733 -5.407 7.006 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.366 -7.245 5.736 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.672 -7.887 7.031 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.094 -7.845 7.245 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.528 -5.080 6.010 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.271 -5.661 7.520 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.343 -4.142 7.511 1.00 0.00 H new ATOM 1567 N LYS A 106 1.115 -4.004 9.700 1.00 0.00 N ATOM 1568 CA LYS A 106 1.124 -2.601 10.172 1.00 0.00 C ATOM 1569 C LYS A 106 1.195 -1.771 8.902 1.00 0.00 C ATOM 1570 O LYS A 106 2.137 -1.874 8.157 1.00 0.00 O ATOM 1571 CB LYS A 106 2.346 -2.325 11.060 1.00 0.00 C ATOM 1572 CG LYS A 106 3.630 -2.661 10.298 1.00 0.00 C ATOM 1573 CD LYS A 106 4.494 -3.592 11.149 1.00 0.00 C ATOM 1574 CE LYS A 106 4.929 -2.863 12.423 1.00 0.00 C ATOM 1575 NZ LYS A 106 6.038 -3.615 13.080 1.00 0.00 N ATOM 0 H LYS A 106 2.034 -4.414 9.535 1.00 0.00 H new ATOM 0 HA LYS A 106 0.247 -2.369 10.777 1.00 0.00 H new ATOM 0 HB2 LYS A 106 2.357 -1.278 11.364 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.287 -2.921 11.971 1.00 0.00 H new ATOM 0 HG2 LYS A 106 3.388 -3.138 9.348 1.00 0.00 H new ATOM 0 HG3 LYS A 106 4.178 -1.748 10.066 1.00 0.00 H new ATOM 0 HD2 LYS A 106 3.934 -4.492 11.405 1.00 0.00 H new ATOM 0 HD3 LYS A 106 5.369 -3.911 10.583 1.00 0.00 H new ATOM 0 HE2 LYS A 106 5.256 -1.852 12.181 1.00 0.00 H new ATOM 0 HE3 LYS A 106 4.085 -2.770 13.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 6.331 -3.117 13.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 5.711 -4.571 13.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 6.846 -3.681 12.429 1.00 0.00 H new ATOM 1589 N VAL A 107 0.187 -1.012 8.600 1.00 0.00 N ATOM 1590 CA VAL A 107 0.202 -0.246 7.318 1.00 0.00 C ATOM 1591 C VAL A 107 0.913 1.100 7.510 1.00 0.00 C ATOM 1592 O VAL A 107 1.079 1.587 8.613 1.00 0.00 O ATOM 1593 CB VAL A 107 -1.266 -0.033 6.791 1.00 0.00 C ATOM 1594 CG1 VAL A 107 -2.212 -1.061 7.408 1.00 0.00 C ATOM 1595 CG2 VAL A 107 -1.798 1.385 7.088 1.00 0.00 C ATOM 0 H VAL A 107 -0.645 -0.885 9.177 1.00 0.00 H new ATOM 0 HA VAL A 107 0.753 -0.820 6.573 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.229 -0.161 5.709 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.222 -0.898 7.032 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.883 -2.065 7.140 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.207 -0.955 8.493 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.814 1.480 6.704 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.799 1.555 8.165 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.157 2.123 6.605 1.00 0.00 H new ATOM 1605 N HIS A 108 1.262 1.717 6.416 1.00 0.00 N ATOM 1606 CA HIS A 108 1.903 3.066 6.454 1.00 0.00 C ATOM 1607 C HIS A 108 1.709 3.691 5.076 1.00 0.00 C ATOM 1608 O HIS A 108 2.377 3.329 4.143 1.00 0.00 O ATOM 1609 CB HIS A 108 3.400 2.938 6.759 1.00 0.00 C ATOM 1610 CG HIS A 108 4.048 4.297 6.686 1.00 0.00 C ATOM 1611 ND1 HIS A 108 5.425 4.462 6.698 1.00 0.00 N ATOM 1612 CD2 HIS A 108 3.519 5.563 6.597 1.00 0.00 C ATOM 1613 CE1 HIS A 108 5.675 5.783 6.617 1.00 0.00 C ATOM 1614 NE2 HIS A 108 4.550 6.498 6.554 1.00 0.00 N ATOM 0 H HIS A 108 1.128 1.338 5.479 1.00 0.00 H new ATOM 0 HA HIS A 108 1.454 3.682 7.233 1.00 0.00 H new ATOM 0 HB2 HIS A 108 3.544 2.508 7.750 1.00 0.00 H new ATOM 0 HB3 HIS A 108 3.870 2.261 6.046 1.00 0.00 H new ATOM 0 HD2 HIS A 108 2.465 5.797 6.565 1.00 0.00 H new ATOM 0 HE1 HIS A 108 6.666 6.212 6.605 1.00 0.00 H new ATOM 0 HE2 HIS A 108 4.464 7.512 6.488 1.00 0.00 H new ATOM 1622 N MET A 109 0.775 4.592 4.928 1.00 0.00 N ATOM 1623 CA MET A 109 0.522 5.188 3.578 1.00 0.00 C ATOM 1624 C MET A 109 0.885 6.678 3.586 1.00 0.00 C ATOM 1625 O MET A 109 0.750 7.342 4.594 1.00 0.00 O ATOM 1626 CB MET A 109 -0.975 5.050 3.185 1.00 0.00 C ATOM 1627 CG MET A 109 -1.780 4.143 4.152 1.00 0.00 C ATOM 1628 SD MET A 109 -3.098 5.111 4.931 1.00 0.00 S ATOM 1629 CE MET A 109 -4.493 4.296 4.112 1.00 0.00 C ATOM 0 H MET A 109 0.178 4.942 5.677 1.00 0.00 H new ATOM 0 HA MET A 109 1.138 4.653 2.856 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.431 6.040 3.162 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.043 4.644 2.176 1.00 0.00 H new ATOM 0 HG2 MET A 109 -2.206 3.301 3.607 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.120 3.729 4.914 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.146 5.049 3.670 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.120 3.635 3.330 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.054 3.713 4.843 1.00 0.00 H new ATOM 1639 N LYS A 110 1.333 7.228 2.472 1.00 0.00 N ATOM 1640 CA LYS A 110 1.670 8.686 2.474 1.00 0.00 C ATOM 1641 C LYS A 110 1.298 9.293 1.120 1.00 0.00 C ATOM 1642 O LYS A 110 0.834 8.609 0.237 1.00 0.00 O ATOM 1643 CB LYS A 110 3.169 8.867 2.722 1.00 0.00 C ATOM 1644 CG LYS A 110 3.415 10.086 3.613 1.00 0.00 C ATOM 1645 CD LYS A 110 4.901 10.158 3.969 1.00 0.00 C ATOM 1646 CE LYS A 110 5.102 11.112 5.147 1.00 0.00 C ATOM 1647 NZ LYS A 110 5.787 10.392 6.256 1.00 0.00 N ATOM 0 H LYS A 110 1.475 6.741 1.587 1.00 0.00 H new ATOM 0 HA LYS A 110 1.112 9.187 3.265 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.577 7.974 3.195 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.690 8.991 1.772 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.108 10.996 3.097 1.00 0.00 H new ATOM 0 HG3 LYS A 110 2.815 10.015 4.520 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.272 9.166 4.225 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.475 10.501 3.108 1.00 0.00 H new ATOM 0 HE2 LYS A 110 5.695 11.972 4.836 1.00 0.00 H new ATOM 0 HE3 LYS A 110 4.140 11.495 5.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.924 11.040 7.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 5.204 9.585 6.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.711 10.047 5.927 1.00 0.00 H new ATOM 1661 N LYS A 111 1.500 10.573 0.942 1.00 0.00 N ATOM 1662 CA LYS A 111 1.160 11.197 -0.366 1.00 0.00 C ATOM 1663 C LYS A 111 2.324 10.981 -1.328 1.00 0.00 C ATOM 1664 O LYS A 111 3.372 11.585 -1.204 1.00 0.00 O ATOM 1665 CB LYS A 111 0.912 12.695 -0.182 1.00 0.00 C ATOM 1666 CG LYS A 111 2.056 13.311 0.624 1.00 0.00 C ATOM 1667 CD LYS A 111 2.613 14.523 -0.125 1.00 0.00 C ATOM 1668 CE LYS A 111 3.829 15.071 0.624 1.00 0.00 C ATOM 1669 NZ LYS A 111 4.919 15.364 -0.350 1.00 0.00 N ATOM 0 H LYS A 111 1.883 11.208 1.643 1.00 0.00 H new ATOM 0 HA LYS A 111 0.255 10.740 -0.768 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.835 13.183 -1.154 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -0.036 12.856 0.332 1.00 0.00 H new ATOM 0 HG2 LYS A 111 1.700 13.611 1.610 1.00 0.00 H new ATOM 0 HG3 LYS A 111 2.843 12.573 0.780 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.895 14.239 -1.139 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.847 15.294 -0.211 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.558 15.977 1.167 1.00 0.00 H new ATOM 0 HE3 LYS A 111 4.172 14.347 1.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 5.747 15.737 0.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 5.183 14.490 -0.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 4.589 16.070 -1.039 1.00 0.00 H new ATOM 1683 N ALA A 112 2.153 10.108 -2.277 1.00 0.00 N ATOM 1684 CA ALA A 112 3.244 9.823 -3.245 1.00 0.00 C ATOM 1685 C ALA A 112 3.755 11.120 -3.873 1.00 0.00 C ATOM 1686 O ALA A 112 3.058 12.113 -3.935 1.00 0.00 O ATOM 1687 CB ALA A 112 2.708 8.899 -4.333 1.00 0.00 C ATOM 0 H ALA A 112 1.296 9.575 -2.425 1.00 0.00 H new ATOM 0 HA ALA A 112 4.073 9.344 -2.723 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.500 8.683 -5.050 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.362 7.969 -3.882 1.00 0.00 H new ATOM 0 HB3 ALA A 112 1.878 9.384 -4.846 1.00 0.00 H new ATOM 1693 N LEU A 113 4.976 11.112 -4.337 1.00 0.00 N ATOM 1694 CA LEU A 113 5.550 12.337 -4.961 1.00 0.00 C ATOM 1695 C LEU A 113 5.483 12.223 -6.489 1.00 0.00 C ATOM 1696 O LEU A 113 5.632 13.200 -7.195 1.00 0.00 O ATOM 1697 CB LEU A 113 7.009 12.487 -4.529 1.00 0.00 C ATOM 1698 CG LEU A 113 7.226 13.880 -3.940 1.00 0.00 C ATOM 1699 CD1 LEU A 113 8.280 13.808 -2.835 1.00 0.00 C ATOM 1700 CD2 LEU A 113 7.705 14.830 -5.040 1.00 0.00 C ATOM 0 H LEU A 113 5.602 10.307 -4.310 1.00 0.00 H new ATOM 0 HA LEU A 113 4.978 13.207 -4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 113 7.261 11.725 -3.791 1.00 0.00 H new ATOM 0 HB3 LEU A 113 7.670 12.335 -5.383 1.00 0.00 H new ATOM 0 HG LEU A 113 6.288 14.248 -3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 113 8.435 14.802 -2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.940 13.131 -2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.218 13.439 -3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 113 7.860 15.824 -4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.643 14.462 -5.456 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.954 14.882 -5.828 1.00 0.00 H new ATOM 1712 N SER A 114 5.260 11.041 -7.007 1.00 0.00 N ATOM 1713 CA SER A 114 5.186 10.876 -8.491 1.00 0.00 C ATOM 1714 C SER A 114 4.222 11.912 -9.077 1.00 0.00 C ATOM 1715 O SER A 114 4.322 12.290 -10.227 1.00 0.00 O ATOM 1716 CB SER A 114 4.685 9.469 -8.820 1.00 0.00 C ATOM 1717 OG SER A 114 4.425 9.377 -10.215 1.00 0.00 O ATOM 0 H SER A 114 5.126 10.185 -6.468 1.00 0.00 H new ATOM 0 HA SER A 114 6.177 11.021 -8.922 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.429 8.728 -8.527 1.00 0.00 H new ATOM 0 HB3 SER A 114 3.779 9.252 -8.254 1.00 0.00 H new ATOM 0 HG SER A 114 4.105 8.476 -10.429 1.00 0.00 H new ATOM 1723 N GLY A 115 3.289 12.374 -8.290 1.00 0.00 N ATOM 1724 CA GLY A 115 2.318 13.387 -8.792 1.00 0.00 C ATOM 1725 C GLY A 115 1.212 13.580 -7.756 1.00 0.00 C ATOM 1726 O GLY A 115 0.040 13.570 -8.074 1.00 0.00 O ATOM 0 H GLY A 115 3.157 12.093 -7.318 1.00 0.00 H new ATOM 0 HA2 GLY A 115 2.826 14.333 -8.980 1.00 0.00 H new ATOM 0 HA3 GLY A 115 1.891 13.060 -9.740 1.00 0.00 H new ATOM 1730 N ASP A 116 1.576 13.749 -6.514 1.00 0.00 N ATOM 1731 CA ASP A 116 0.545 13.932 -5.455 1.00 0.00 C ATOM 1732 C ASP A 116 -0.387 12.720 -5.459 1.00 0.00 C ATOM 1733 O ASP A 116 -1.583 12.842 -5.623 1.00 0.00 O ATOM 1734 CB ASP A 116 -0.260 15.203 -5.737 1.00 0.00 C ATOM 1735 CG ASP A 116 0.481 16.413 -5.164 1.00 0.00 C ATOM 1736 OD1 ASP A 116 1.544 16.726 -5.671 1.00 0.00 O ATOM 1737 OD2 ASP A 116 -0.027 17.005 -4.226 1.00 0.00 O ATOM 0 H ASP A 116 2.542 13.768 -6.188 1.00 0.00 H new ATOM 0 HA ASP A 116 1.026 14.024 -4.481 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -0.403 15.325 -6.811 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.251 15.125 -5.291 1.00 0.00 H new ATOM 1742 N SER A 117 0.161 11.547 -5.292 1.00 0.00 N ATOM 1743 CA SER A 117 -0.682 10.321 -5.297 1.00 0.00 C ATOM 1744 C SER A 117 -0.938 9.859 -3.861 1.00 0.00 C ATOM 1745 O SER A 117 -0.858 10.628 -2.924 1.00 0.00 O ATOM 1746 CB SER A 117 0.041 9.216 -6.072 1.00 0.00 C ATOM 1747 OG SER A 117 1.044 9.800 -6.895 1.00 0.00 O ATOM 0 H SER A 117 1.158 11.386 -5.152 1.00 0.00 H new ATOM 0 HA SER A 117 -1.637 10.540 -5.775 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.491 8.505 -5.380 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.669 8.660 -6.684 1.00 0.00 H new ATOM 0 HG SER A 117 1.511 9.096 -7.392 1.00 0.00 H new ATOM 1753 N TYR A 118 -1.257 8.605 -3.687 1.00 0.00 N ATOM 1754 CA TYR A 118 -1.535 8.075 -2.318 1.00 0.00 C ATOM 1755 C TYR A 118 -1.044 6.627 -2.250 1.00 0.00 C ATOM 1756 O TYR A 118 -1.686 5.734 -2.765 1.00 0.00 O ATOM 1757 CB TYR A 118 -3.052 8.103 -2.065 1.00 0.00 C ATOM 1758 CG TYR A 118 -3.635 9.384 -2.583 1.00 0.00 C ATOM 1759 CD1 TYR A 118 -3.450 10.580 -1.885 1.00 0.00 C ATOM 1760 CD2 TYR A 118 -4.370 9.366 -3.768 1.00 0.00 C ATOM 1761 CE1 TYR A 118 -4.004 11.762 -2.380 1.00 0.00 C ATOM 1762 CE2 TYR A 118 -4.922 10.540 -4.262 1.00 0.00 C ATOM 1763 CZ TYR A 118 -4.743 11.746 -3.570 1.00 0.00 C ATOM 1764 OH TYR A 118 -5.292 12.913 -4.061 1.00 0.00 O ATOM 0 H TYR A 118 -1.338 7.920 -4.438 1.00 0.00 H new ATOM 0 HA TYR A 118 -1.027 8.682 -1.569 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.527 7.253 -2.556 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -3.253 8.008 -0.998 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.881 10.590 -0.967 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.510 8.438 -4.302 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.863 12.690 -1.845 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.490 10.524 -5.180 1.00 0.00 H new ATOM 0 HH TYR A 118 -5.771 12.724 -4.895 1.00 0.00 H new ATOM 1774 N TRP A 119 0.088 6.372 -1.640 1.00 0.00 N ATOM 1775 CA TRP A 119 0.567 4.964 -1.589 1.00 0.00 C ATOM 1776 C TRP A 119 0.402 4.356 -0.203 1.00 0.00 C ATOM 1777 O TRP A 119 0.548 5.005 0.801 1.00 0.00 O ATOM 1778 CB TRP A 119 2.009 4.843 -2.096 1.00 0.00 C ATOM 1779 CG TRP A 119 2.938 5.812 -1.454 1.00 0.00 C ATOM 1780 CD1 TRP A 119 3.521 6.854 -2.063 1.00 0.00 C ATOM 1781 CD2 TRP A 119 3.451 5.787 -0.118 1.00 0.00 C ATOM 1782 NE1 TRP A 119 4.355 7.491 -1.166 1.00 0.00 N ATOM 1783 CE2 TRP A 119 4.347 6.859 0.058 1.00 0.00 C ATOM 1784 CE3 TRP A 119 3.208 4.938 0.940 1.00 0.00 C ATOM 1785 CZ2 TRP A 119 4.995 7.070 1.272 1.00 0.00 C ATOM 1786 CZ3 TRP A 119 3.854 5.133 2.170 1.00 0.00 C ATOM 1787 CH2 TRP A 119 4.748 6.199 2.335 1.00 0.00 C ATOM 0 H TRP A 119 0.686 7.063 -1.186 1.00 0.00 H new ATOM 0 HA TRP A 119 -0.064 4.385 -2.264 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.368 3.830 -1.914 1.00 0.00 H new ATOM 0 HB3 TRP A 119 2.022 4.997 -3.175 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.364 7.148 -3.090 1.00 0.00 H new ATOM 0 HE1 TRP A 119 4.906 8.322 -1.382 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.516 4.117 0.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 5.680 7.897 1.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.662 4.459 2.992 1.00 0.00 H new ATOM 0 HH2 TRP A 119 5.245 6.347 3.282 1.00 0.00 H new ATOM 1798 N VAL A 120 0.073 3.087 -0.170 1.00 0.00 N ATOM 1799 CA VAL A 120 -0.133 2.375 1.122 1.00 0.00 C ATOM 1800 C VAL A 120 0.833 1.185 1.211 1.00 0.00 C ATOM 1801 O VAL A 120 0.668 0.187 0.539 1.00 0.00 O ATOM 1802 CB VAL A 120 -1.573 1.853 1.194 1.00 0.00 C ATOM 1803 CG1 VAL A 120 -1.807 1.211 2.561 1.00 0.00 C ATOM 1804 CG2 VAL A 120 -2.555 3.010 0.987 1.00 0.00 C ATOM 0 H VAL A 120 -0.063 2.509 -0.999 1.00 0.00 H new ATOM 0 HA VAL A 120 0.052 3.064 1.946 1.00 0.00 H new ATOM 0 HB VAL A 120 -1.732 1.111 0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -2.830 0.838 2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -1.111 0.384 2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.648 1.953 3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -3.577 2.634 1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -2.404 3.759 1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.384 3.462 0.010 1.00 0.00 H new ATOM 1814 N PHE A 121 1.832 1.285 2.042 1.00 0.00 N ATOM 1815 CA PHE A 121 2.809 0.165 2.191 1.00 0.00 C ATOM 1816 C PHE A 121 2.373 -0.743 3.329 1.00 0.00 C ATOM 1817 O PHE A 121 2.225 -0.305 4.452 1.00 0.00 O ATOM 1818 CB PHE A 121 4.198 0.705 2.550 1.00 0.00 C ATOM 1819 CG PHE A 121 4.645 1.772 1.581 1.00 0.00 C ATOM 1820 CD1 PHE A 121 4.090 1.853 0.298 1.00 0.00 C ATOM 1821 CD2 PHE A 121 5.638 2.676 1.970 1.00 0.00 C ATOM 1822 CE1 PHE A 121 4.527 2.834 -0.593 1.00 0.00 C ATOM 1823 CE2 PHE A 121 6.072 3.661 1.081 1.00 0.00 C ATOM 1824 CZ PHE A 121 5.517 3.739 -0.202 1.00 0.00 C ATOM 0 H PHE A 121 2.017 2.098 2.629 1.00 0.00 H new ATOM 0 HA PHE A 121 2.846 -0.375 1.245 1.00 0.00 H new ATOM 0 HB2 PHE A 121 4.180 1.114 3.560 1.00 0.00 H new ATOM 0 HB3 PHE A 121 4.919 -0.113 2.550 1.00 0.00 H new ATOM 0 HD1 PHE A 121 3.322 1.155 -0.002 1.00 0.00 H new ATOM 0 HD2 PHE A 121 6.069 2.612 2.958 1.00 0.00 H new ATOM 0 HE1 PHE A 121 4.101 2.894 -1.583 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.836 4.363 1.383 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.855 4.500 -0.890 1.00 0.00 H new ATOM 1834 N VAL A 122 2.184 -2.003 3.068 1.00 0.00 N ATOM 1835 CA VAL A 122 1.781 -2.910 4.166 1.00 0.00 C ATOM 1836 C VAL A 122 2.991 -3.722 4.622 1.00 0.00 C ATOM 1837 O VAL A 122 3.553 -4.500 3.886 1.00 0.00 O ATOM 1838 CB VAL A 122 0.619 -3.814 3.689 1.00 0.00 C ATOM 1839 CG1 VAL A 122 0.718 -5.241 4.256 1.00 0.00 C ATOM 1840 CG2 VAL A 122 -0.698 -3.197 4.151 1.00 0.00 C ATOM 0 H VAL A 122 2.290 -2.438 2.152 1.00 0.00 H new ATOM 0 HA VAL A 122 1.424 -2.337 5.022 1.00 0.00 H new ATOM 0 HB VAL A 122 0.672 -3.882 2.602 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.120 -5.836 3.892 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.654 -5.697 3.933 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.690 -5.203 5.345 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.528 -3.823 3.823 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.705 -3.127 5.239 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -0.803 -2.200 3.722 1.00 0.00 H new ATOM 1850 N LYS A 123 3.362 -3.550 5.853 1.00 0.00 N ATOM 1851 CA LYS A 123 4.512 -4.312 6.410 1.00 0.00 C ATOM 1852 C LYS A 123 3.965 -5.526 7.158 1.00 0.00 C ATOM 1853 O LYS A 123 3.407 -5.399 8.225 1.00 0.00 O ATOM 1854 CB LYS A 123 5.282 -3.419 7.384 1.00 0.00 C ATOM 1855 CG LYS A 123 6.740 -3.860 7.441 1.00 0.00 C ATOM 1856 CD LYS A 123 7.654 -2.651 7.216 1.00 0.00 C ATOM 1857 CE LYS A 123 9.132 -3.059 7.345 1.00 0.00 C ATOM 1858 NZ LYS A 123 9.308 -4.519 7.066 1.00 0.00 N ATOM 0 H LYS A 123 2.915 -2.908 6.507 1.00 0.00 H new ATOM 0 HA LYS A 123 5.180 -4.632 5.610 1.00 0.00 H new ATOM 0 HB2 LYS A 123 5.219 -2.378 7.066 1.00 0.00 H new ATOM 0 HB3 LYS A 123 4.835 -3.477 8.377 1.00 0.00 H new ATOM 0 HG2 LYS A 123 6.955 -4.316 8.408 1.00 0.00 H new ATOM 0 HG3 LYS A 123 6.931 -4.619 6.682 1.00 0.00 H new ATOM 0 HD2 LYS A 123 7.472 -2.230 6.227 1.00 0.00 H new ATOM 0 HD3 LYS A 123 7.421 -1.872 7.942 1.00 0.00 H new ATOM 0 HE2 LYS A 123 9.737 -2.476 6.650 1.00 0.00 H new ATOM 0 HE3 LYS A 123 9.491 -2.830 8.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.313 -4.720 6.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 8.982 -5.071 7.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 8.751 -4.782 6.228 1.00 0.00 H new ATOM 1872 N ARG A 124 4.105 -6.704 6.613 1.00 0.00 N ATOM 1873 CA ARG A 124 3.563 -7.904 7.318 1.00 0.00 C ATOM 1874 C ARG A 124 4.116 -7.957 8.745 1.00 0.00 C ATOM 1875 O ARG A 124 5.287 -7.734 8.979 1.00 0.00 O ATOM 1876 CB ARG A 124 3.951 -9.173 6.554 1.00 0.00 C ATOM 1877 CG ARG A 124 3.490 -10.409 7.332 1.00 0.00 C ATOM 1878 CD ARG A 124 3.323 -11.586 6.368 1.00 0.00 C ATOM 1879 NE ARG A 124 3.913 -12.814 6.975 1.00 0.00 N ATOM 1880 CZ ARG A 124 3.670 -13.983 6.448 1.00 0.00 C ATOM 1881 NH1 ARG A 124 2.524 -14.570 6.663 1.00 0.00 N ATOM 1882 NH2 ARG A 124 4.574 -14.568 5.709 1.00 0.00 N ATOM 0 H ARG A 124 4.565 -6.888 5.721 1.00 0.00 H new ATOM 0 HA ARG A 124 2.476 -7.837 7.361 1.00 0.00 H new ATOM 0 HB2 ARG A 124 3.496 -9.165 5.563 1.00 0.00 H new ATOM 0 HB3 ARG A 124 5.031 -9.205 6.409 1.00 0.00 H new ATOM 0 HG2 ARG A 124 4.218 -10.658 8.104 1.00 0.00 H new ATOM 0 HG3 ARG A 124 2.547 -10.203 7.838 1.00 0.00 H new ATOM 0 HD2 ARG A 124 2.267 -11.746 6.152 1.00 0.00 H new ATOM 0 HD3 ARG A 124 3.812 -11.365 5.419 1.00 0.00 H new ATOM 0 HE ARG A 124 4.506 -12.740 7.802 1.00 0.00 H new ATOM 0 HH11 ARG A 124 1.819 -14.115 7.243 1.00 0.00 H new ATOM 0 HH12 ARG A 124 2.334 -15.484 6.251 1.00 0.00 H new ATOM 0 HH21 ARG A 124 5.471 -14.111 5.543 1.00 0.00 H new ATOM 0 HH22 ARG A 124 4.383 -15.482 5.298 1.00 0.00 H new ATOM 1896 N VAL A 125 3.273 -8.243 9.701 1.00 0.00 N ATOM 1897 CA VAL A 125 3.741 -8.304 11.116 1.00 0.00 C ATOM 1898 C VAL A 125 4.030 -9.760 11.488 1.00 0.00 C ATOM 1899 O VAL A 125 5.066 -10.005 12.083 1.00 0.00 O ATOM 1900 CB VAL A 125 2.671 -7.745 12.071 1.00 0.00 C ATOM 1901 CG1 VAL A 125 3.355 -7.026 13.222 1.00 0.00 C ATOM 1902 CG2 VAL A 125 1.771 -6.737 11.359 1.00 0.00 C ATOM 1903 OXT VAL A 125 3.208 -10.605 11.173 1.00 0.00 O ATOM 0 H VAL A 125 2.281 -8.437 9.563 1.00 0.00 H new ATOM 0 HA VAL A 125 4.644 -7.701 11.210 1.00 0.00 H new ATOM 0 HB VAL A 125 2.068 -8.580 12.428 1.00 0.00 H new ATOM 0 HG11 VAL A 125 2.601 -6.628 13.902 1.00 0.00 H new ATOM 0 HG12 VAL A 125 3.995 -7.726 13.759 1.00 0.00 H new ATOM 0 HG13 VAL A 125 3.960 -6.208 12.832 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.025 -6.359 12.058 1.00 0.00 H new ATOM 0 HG22 VAL A 125 2.375 -5.908 10.989 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.271 -7.224 10.522 1.00 0.00 H new TER 1913 VAL A 125 HETATM 1914 C1 HC4 A 126 -9.186 -6.052 3.633 1.00 0.00 C HETATM 1915 O1 HC4 A 126 -10.075 -6.877 3.561 1.00 0.00 O HETATM 1916 C2 HC4 A 126 -7.968 -6.041 2.745 1.00 0.00 C HETATM 1917 C3 HC4 A 126 -7.872 -6.981 1.848 1.00 0.00 C HETATM 1918 C1' HC4 A 126 -6.700 -7.065 0.921 1.00 0.00 C HETATM 1919 C2' HC4 A 126 -6.670 -8.113 -0.020 1.00 0.00 C HETATM 1920 C3' HC4 A 126 -5.588 -8.220 -0.902 1.00 0.00 C HETATM 1921 C4' HC4 A 126 -4.546 -7.289 -0.842 1.00 0.00 C HETATM 1922 C5' HC4 A 126 -4.563 -6.235 0.098 1.00 0.00 C HETATM 1923 C6' HC4 A 126 -5.652 -6.117 0.987 1.00 0.00 C HETATM 1924 O4' HC4 A 126 -3.611 -7.411 -1.594 1.00 0.00 O HETATM 0 H6' HC4 A 126 -5.685 -5.306 1.715 1.00 0.00 H new HETATM 0 H5' HC4 A 126 -3.742 -5.519 0.136 1.00 0.00 H new HETATM 0 H3' HC4 A 126 -5.558 -9.027 -1.634 1.00 0.00 H new HETATM 0 H3 HC4 A 126 -8.665 -7.725 1.771 1.00 0.00 H new HETATM 0 H2' HC4 A 126 -7.484 -8.836 -0.061 1.00 0.00 H new HETATM 0 H2 HC4 A 126 -7.198 -5.277 2.849 1.00 0.00 H new