USER MOD reduce.3.24.130724 H: found=0, std=0, add=1402, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1400 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 53 LYS NZ :NH3+ -175:sc= -1.1 (180deg=-1.24) USER MOD Set 2.1: A 53 LYS NZ :NH3+ -171:sc= -0.755 (180deg=-0.877) USER MOD Set 2.2: B 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -154:sc= -0.256 (180deg=-1.31) USER MOD Single : A 1 MET N :NH3+ -166:sc=-0.00789 (180deg=-0.213) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN :FLIP amide:sc= -1.88! C(o=-3.5!,f=-1.9!) USER MOD Single : A 6 LYS NZ :NH3+ 159:sc= -0.0902 (180deg=-0.538) USER MOD Single : A 7 HIS : no HD1:sc= -2.6! C(o=-2.6!,f=-4.8!) USER MOD Single : A 15 MET CE :methyl -149:sc= -3.43! (180deg=-6.1!) USER MOD Single : A 18 LYS NZ :NH3+ -165:sc= -0.244 (180deg=-0.772) USER MOD Single : A 22 SER OG : rot 99:sc= 0.305 USER MOD Single : A 32 LYS NZ :NH3+ -120:sc= 0.0614 (180deg=-0.281) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 155:sc= -0.0451 (180deg=-0.532) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.245 F(o=-1.1,f=-0.25) USER MOD Single : A 54 LYS NZ :NH3+ -111:sc= -1.88 (180deg=-4.17!) USER MOD Single : A 64 LYS NZ :NH3+ 158:sc= -0.135 (180deg=-0.88) USER MOD Single : A 66 THR OG1 : rot 66:sc= 0.879 USER MOD Single : A 67 CYS SG : rot -65:sc= 1.42 USER MOD Single : A 70 ASN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0297) USER MOD Single : A 73 GLN : amide:sc= 0.0134 K(o=0.013,f=-5.7!) USER MOD Single : A 74 SER OG : rot 79:sc= 0.16 USER MOD Single : A 77 CYS SG : rot -21:sc= 0.493 USER MOD Single : A 80 CYS SG : rot -140:sc= -0.278 USER MOD Single : A 85 CYS SG : rot 81:sc= -0.752 USER MOD Single : B 1 MET CE :methyl -152:sc= -0.254 (180deg=-1.35!) USER MOD Single : B 1 MET N :NH3+ -164:sc= -0.0141 (180deg=-0.223) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0 USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 GLN :FLIP amide:sc= -2! C(o=-3.8!,f=-2!) USER MOD Single : B 6 LYS NZ :NH3+ 160:sc= -0.06 (180deg=-0.57) USER MOD Single : B 7 HIS : no HD1:sc= -2.69! C(o=-2.7!,f=-5!) USER MOD Single : B 15 MET CE :methyl -151:sc= -3.54! (180deg=-6.12!) USER MOD Single : B 18 LYS NZ :NH3+ -165:sc= -0.279 (180deg=-0.823) USER MOD Single : B 22 SER OG : rot 99:sc= 0.297 USER MOD Single : B 32 LYS NZ :NH3+ -120:sc= 0.0492 (180deg=-0.266) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 LYS NZ :NH3+ 154:sc= -0.0651 (180deg=-0.561) USER MOD Single : B 48 GLN :FLIP amide:sc= -0.153 F(o=-0.99,f=-0.15) USER MOD Single : B 54 LYS NZ :NH3+ -108:sc= -1.76 (180deg=-4.28!) USER MOD Single : B 64 LYS NZ :NH3+ 157:sc= -0.128 (180deg=-0.895) USER MOD Single : B 66 THR OG1 : rot 104:sc= 0.805 USER MOD Single : B 67 CYS SG : rot -31:sc= 1.28 USER MOD Single : B 70 ASN : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : B 72 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0317) USER MOD Single : B 73 GLN : amide:sc= 0.0301 K(o=0.03,f=-6!) USER MOD Single : B 74 SER OG : rot 78:sc= 0.158 USER MOD Single : B 77 CYS SG : rot -24:sc= 0.622 USER MOD Single : B 80 CYS SG : rot -24:sc= -0.272 USER MOD Single : B 85 CYS SG : rot 81:sc= -0.764 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 116.886 -5.588 12.051 1.00 0.00 N ATOM 2 CA MET A 1 117.697 -6.802 11.756 1.00 0.00 C ATOM 3 C MET A 1 117.231 -7.414 10.433 1.00 0.00 C ATOM 4 O MET A 1 117.480 -6.880 9.370 1.00 0.00 O ATOM 5 CB MET A 1 117.516 -7.825 12.881 1.00 0.00 C ATOM 6 CG MET A 1 118.202 -7.315 14.150 1.00 0.00 C ATOM 7 SD MET A 1 118.020 -8.539 15.473 1.00 0.00 S ATOM 8 CE MET A 1 116.221 -8.436 15.651 1.00 0.00 C ATOM 0 H1 MET A 1 117.343 -5.041 12.808 1.00 0.00 H new ATOM 0 H2 MET A 1 116.814 -5.002 11.195 1.00 0.00 H new ATOM 0 H3 MET A 1 115.933 -5.873 12.356 1.00 0.00 H new ATOM 0 HA MET A 1 118.749 -6.527 11.682 1.00 0.00 H new ATOM 0 HB2 MET A 1 116.455 -7.990 13.070 1.00 0.00 H new ATOM 0 HB3 MET A 1 117.940 -8.785 12.586 1.00 0.00 H new ATOM 0 HG2 MET A 1 119.258 -7.130 13.955 1.00 0.00 H new ATOM 0 HG3 MET A 1 117.763 -6.366 14.456 1.00 0.00 H new ATOM 0 HE1 MET A 1 115.938 -8.727 16.663 1.00 0.00 H new ATOM 0 HE2 MET A 1 115.895 -7.413 15.463 1.00 0.00 H new ATOM 0 HE3 MET A 1 115.746 -9.106 14.935 1.00 0.00 H new ATOM 20 N THR A 2 116.552 -8.529 10.488 1.00 0.00 N ATOM 21 CA THR A 2 116.066 -9.175 9.235 1.00 0.00 C ATOM 22 C THR A 2 117.200 -9.210 8.204 1.00 0.00 C ATOM 23 O THR A 2 116.971 -9.268 7.012 1.00 0.00 O ATOM 24 CB THR A 2 114.878 -8.373 8.678 1.00 0.00 C ATOM 25 OG1 THR A 2 114.076 -7.917 9.758 1.00 0.00 O ATOM 26 CG2 THR A 2 114.034 -9.260 7.757 1.00 0.00 C ATOM 0 H THR A 2 116.313 -9.021 11.349 1.00 0.00 H new ATOM 0 HA THR A 2 115.745 -10.195 9.448 1.00 0.00 H new ATOM 0 HB THR A 2 115.252 -7.522 8.109 1.00 0.00 H new ATOM 0 HG1 THR A 2 113.318 -7.404 9.409 1.00 0.00 H new ATOM 0 HG21 THR A 2 113.195 -8.684 7.367 1.00 0.00 H new ATOM 0 HG22 THR A 2 114.648 -9.613 6.929 1.00 0.00 H new ATOM 0 HG23 THR A 2 113.658 -10.114 8.319 1.00 0.00 H new ATOM 34 N THR A 3 118.424 -9.170 8.654 1.00 0.00 N ATOM 35 CA THR A 3 119.567 -9.198 7.700 1.00 0.00 C ATOM 36 C THR A 3 119.511 -10.489 6.881 1.00 0.00 C ATOM 37 O THR A 3 119.204 -11.548 7.391 1.00 0.00 O ATOM 38 CB THR A 3 120.880 -9.142 8.484 1.00 0.00 C ATOM 39 OG1 THR A 3 120.992 -10.299 9.301 1.00 0.00 O ATOM 40 CG2 THR A 3 120.898 -7.890 9.362 1.00 0.00 C ATOM 0 H THR A 3 118.681 -9.119 9.640 1.00 0.00 H new ATOM 0 HA THR A 3 119.509 -8.341 7.029 1.00 0.00 H new ATOM 0 HB THR A 3 121.718 -9.107 7.788 1.00 0.00 H new ATOM 0 HG1 THR A 3 121.833 -10.265 9.802 1.00 0.00 H new ATOM 0 HG21 THR A 3 121.833 -7.851 9.920 1.00 0.00 H new ATOM 0 HG22 THR A 3 120.813 -7.004 8.733 1.00 0.00 H new ATOM 0 HG23 THR A 3 120.061 -7.922 10.059 1.00 0.00 H new ATOM 48 N SER A 4 119.803 -10.407 5.612 1.00 0.00 N ATOM 49 CA SER A 4 119.765 -11.627 4.756 1.00 0.00 C ATOM 50 C SER A 4 121.048 -12.435 4.958 1.00 0.00 C ATOM 51 O SER A 4 121.988 -11.992 5.587 1.00 0.00 O ATOM 52 CB SER A 4 119.642 -11.215 3.288 1.00 0.00 C ATOM 53 OG SER A 4 120.783 -10.455 2.916 1.00 0.00 O ATOM 0 H SER A 4 120.066 -9.547 5.130 1.00 0.00 H new ATOM 0 HA SER A 4 118.907 -12.239 5.033 1.00 0.00 H new ATOM 0 HB2 SER A 4 119.558 -12.099 2.656 1.00 0.00 H new ATOM 0 HB3 SER A 4 118.736 -10.629 3.138 1.00 0.00 H new ATOM 0 HG SER A 4 120.708 -10.191 1.975 1.00 0.00 H new ATOM 59 N GLN A 5 121.080 -13.629 4.432 1.00 0.00 N ATOM 60 CA GLN A 5 122.281 -14.499 4.586 1.00 0.00 C ATOM 61 C GLN A 5 123.495 -13.843 3.931 1.00 0.00 C ATOM 62 O GLN A 5 124.623 -14.194 4.217 1.00 0.00 O ATOM 63 CB GLN A 5 122.020 -15.857 3.926 1.00 0.00 C ATOM 64 CG GLN A 5 120.986 -16.647 4.736 1.00 0.00 C ATOM 65 CD GLN A 5 119.591 -16.071 4.487 1.00 0.00 C ATOM 66 OE1 GLN A 5 119.244 -15.743 3.275 1.00 0.00 O flip ATOM 67 NE2 GLN A 5 118.811 -15.919 5.407 1.00 0.00 N flip ATOM 0 H GLN A 5 120.317 -14.043 3.896 1.00 0.00 H new ATOM 0 HA GLN A 5 122.481 -14.639 5.648 1.00 0.00 H new ATOM 0 HB2 GLN A 5 121.661 -15.712 2.907 1.00 0.00 H new ATOM 0 HB3 GLN A 5 122.950 -16.422 3.859 1.00 0.00 H new ATOM 0 HG2 GLN A 5 121.012 -17.699 4.451 1.00 0.00 H new ATOM 0 HG3 GLN A 5 121.227 -16.598 5.798 1.00 0.00 H new ATOM 0 HE21 GLN A 5 119.085 -16.176 6.355 1.00 0.00 H new ATOM 0 HE22 GLN A 5 117.883 -15.534 5.231 1.00 0.00 H new ATOM 76 N LYS A 6 123.288 -12.899 3.051 1.00 0.00 N ATOM 77 CA LYS A 6 124.438 -12.234 2.380 1.00 0.00 C ATOM 78 C LYS A 6 125.324 -11.551 3.427 1.00 0.00 C ATOM 79 O LYS A 6 126.534 -11.537 3.312 1.00 0.00 O ATOM 80 CB LYS A 6 123.910 -11.173 1.413 1.00 0.00 C ATOM 81 CG LYS A 6 123.156 -11.847 0.267 1.00 0.00 C ATOM 82 CD LYS A 6 122.633 -10.776 -0.692 1.00 0.00 C ATOM 83 CE LYS A 6 121.877 -11.439 -1.844 1.00 0.00 C ATOM 84 NZ LYS A 6 120.697 -12.173 -1.306 1.00 0.00 N ATOM 0 H LYS A 6 122.368 -12.560 2.769 1.00 0.00 H new ATOM 0 HA LYS A 6 125.020 -12.980 1.839 1.00 0.00 H new ATOM 0 HB2 LYS A 6 123.250 -10.484 1.940 1.00 0.00 H new ATOM 0 HB3 LYS A 6 124.737 -10.583 1.019 1.00 0.00 H new ATOM 0 HG2 LYS A 6 123.815 -12.535 -0.262 1.00 0.00 H new ATOM 0 HG3 LYS A 6 122.327 -12.437 0.659 1.00 0.00 H new ATOM 0 HD2 LYS A 6 121.975 -10.089 -0.161 1.00 0.00 H new ATOM 0 HD3 LYS A 6 123.463 -10.186 -1.081 1.00 0.00 H new ATOM 0 HE2 LYS A 6 121.554 -10.686 -2.562 1.00 0.00 H new ATOM 0 HE3 LYS A 6 122.534 -12.126 -2.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 120.002 -12.317 -2.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 121.001 -13.096 -0.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 120.263 -11.619 -0.540 1.00 0.00 H new ATOM 98 N HIS A 7 124.735 -10.959 4.431 1.00 0.00 N ATOM 99 CA HIS A 7 125.553 -10.250 5.459 1.00 0.00 C ATOM 100 C HIS A 7 126.533 -11.211 6.132 1.00 0.00 C ATOM 101 O HIS A 7 127.716 -10.943 6.218 1.00 0.00 O ATOM 102 CB HIS A 7 124.621 -9.649 6.518 1.00 0.00 C ATOM 103 CG HIS A 7 125.432 -9.070 7.648 1.00 0.00 C ATOM 104 ND1 HIS A 7 125.937 -7.777 7.619 1.00 0.00 N ATOM 105 CD2 HIS A 7 125.836 -9.602 8.848 1.00 0.00 C ATOM 106 CE1 HIS A 7 126.611 -7.579 8.769 1.00 0.00 C ATOM 107 NE2 HIS A 7 126.577 -8.659 9.549 1.00 0.00 N ATOM 0 H HIS A 7 123.727 -10.935 4.584 1.00 0.00 H new ATOM 0 HA HIS A 7 126.124 -9.461 4.969 1.00 0.00 H new ATOM 0 HB2 HIS A 7 124.000 -8.873 6.070 1.00 0.00 H new ATOM 0 HB3 HIS A 7 123.947 -10.416 6.899 1.00 0.00 H new ATOM 0 HD2 HIS A 7 125.612 -10.600 9.194 1.00 0.00 H new ATOM 0 HE1 HIS A 7 127.116 -6.660 9.026 1.00 0.00 H new ATOM 0 HE2 HIS A 7 127.005 -8.770 10.468 1.00 0.00 H new ATOM 115 N ARG A 8 126.062 -12.332 6.612 1.00 0.00 N ATOM 116 CA ARG A 8 126.973 -13.303 7.274 1.00 0.00 C ATOM 117 C ARG A 8 127.894 -13.941 6.237 1.00 0.00 C ATOM 118 O ARG A 8 129.026 -14.281 6.518 1.00 0.00 O ATOM 119 CB ARG A 8 126.145 -14.384 7.973 1.00 0.00 C ATOM 120 CG ARG A 8 125.433 -13.775 9.184 1.00 0.00 C ATOM 121 CD ARG A 8 124.612 -14.855 9.888 1.00 0.00 C ATOM 122 NE ARG A 8 123.599 -15.410 8.951 1.00 0.00 N ATOM 123 CZ ARG A 8 123.038 -16.559 9.209 1.00 0.00 C ATOM 124 NH1 ARG A 8 123.365 -17.214 10.291 1.00 0.00 N ATOM 125 NH2 ARG A 8 122.153 -17.053 8.388 1.00 0.00 N ATOM 0 H ARG A 8 125.083 -12.615 6.572 1.00 0.00 H new ATOM 0 HA ARG A 8 127.582 -12.782 8.013 1.00 0.00 H new ATOM 0 HB2 ARG A 8 125.415 -14.803 7.281 1.00 0.00 H new ATOM 0 HB3 ARG A 8 126.790 -15.203 8.290 1.00 0.00 H new ATOM 0 HG2 ARG A 8 126.163 -13.351 9.873 1.00 0.00 H new ATOM 0 HG3 ARG A 8 124.784 -12.959 8.866 1.00 0.00 H new ATOM 0 HD2 ARG A 8 125.268 -15.651 10.241 1.00 0.00 H new ATOM 0 HD3 ARG A 8 124.118 -14.436 10.765 1.00 0.00 H new ATOM 0 HE ARG A 8 123.344 -14.894 8.109 1.00 0.00 H new ATOM 0 HH11 ARG A 8 124.058 -16.827 10.932 1.00 0.00 H new ATOM 0 HH12 ARG A 8 122.928 -18.113 10.495 1.00 0.00 H new ATOM 0 HH21 ARG A 8 121.899 -16.541 7.543 1.00 0.00 H new ATOM 0 HH22 ARG A 8 121.715 -17.952 8.591 1.00 0.00 H new ATOM 139 N ASP A 9 127.416 -14.101 5.041 1.00 0.00 N ATOM 140 CA ASP A 9 128.253 -14.709 3.976 1.00 0.00 C ATOM 141 C ASP A 9 129.366 -13.743 3.565 1.00 0.00 C ATOM 142 O ASP A 9 130.483 -14.138 3.308 1.00 0.00 O ATOM 143 CB ASP A 9 127.387 -15.020 2.759 1.00 0.00 C ATOM 144 CG ASP A 9 126.441 -16.178 3.086 1.00 0.00 C ATOM 145 OD1 ASP A 9 126.762 -16.944 3.978 1.00 0.00 O ATOM 146 OD2 ASP A 9 125.410 -16.274 2.441 1.00 0.00 O ATOM 0 H ASP A 9 126.475 -13.835 4.752 1.00 0.00 H new ATOM 0 HA ASP A 9 128.696 -15.628 4.359 1.00 0.00 H new ATOM 0 HB2 ASP A 9 126.814 -14.138 2.473 1.00 0.00 H new ATOM 0 HB3 ASP A 9 128.017 -15.281 1.908 1.00 0.00 H new ATOM 151 N PHE A 10 129.059 -12.475 3.477 1.00 0.00 N ATOM 152 CA PHE A 10 130.092 -11.485 3.051 1.00 0.00 C ATOM 153 C PHE A 10 131.197 -11.375 4.106 1.00 0.00 C ATOM 154 O PHE A 10 132.368 -11.334 3.784 1.00 0.00 O ATOM 155 CB PHE A 10 129.425 -10.121 2.857 1.00 0.00 C ATOM 156 CG PHE A 10 130.400 -9.165 2.213 1.00 0.00 C ATOM 157 CD1 PHE A 10 130.500 -9.107 0.818 1.00 0.00 C ATOM 158 CD2 PHE A 10 131.197 -8.332 3.008 1.00 0.00 C ATOM 159 CE1 PHE A 10 131.399 -8.218 0.217 1.00 0.00 C ATOM 160 CE2 PHE A 10 132.096 -7.443 2.405 1.00 0.00 C ATOM 161 CZ PHE A 10 132.197 -7.385 1.010 1.00 0.00 C ATOM 0 H PHE A 10 128.140 -12.083 3.681 1.00 0.00 H new ATOM 0 HA PHE A 10 130.541 -11.816 2.115 1.00 0.00 H new ATOM 0 HB2 PHE A 10 128.537 -10.225 2.233 1.00 0.00 H new ATOM 0 HB3 PHE A 10 129.095 -9.727 3.818 1.00 0.00 H new ATOM 0 HD1 PHE A 10 129.884 -9.748 0.205 1.00 0.00 H new ATOM 0 HD2 PHE A 10 131.119 -8.375 4.084 1.00 0.00 H new ATOM 0 HE1 PHE A 10 131.477 -8.175 -0.859 1.00 0.00 H new ATOM 0 HE2 PHE A 10 132.712 -6.801 3.017 1.00 0.00 H new ATOM 0 HZ PHE A 10 132.890 -6.698 0.546 1.00 0.00 H new ATOM 171 N VAL A 11 130.845 -11.326 5.361 1.00 0.00 N ATOM 172 CA VAL A 11 131.887 -11.219 6.424 1.00 0.00 C ATOM 173 C VAL A 11 132.438 -12.611 6.739 1.00 0.00 C ATOM 174 O VAL A 11 133.081 -12.818 7.749 1.00 0.00 O ATOM 175 CB VAL A 11 131.265 -10.624 7.689 1.00 0.00 C ATOM 176 CG1 VAL A 11 130.652 -9.259 7.366 1.00 0.00 C ATOM 177 CG2 VAL A 11 130.176 -11.566 8.203 1.00 0.00 C ATOM 0 H VAL A 11 129.883 -11.355 5.697 1.00 0.00 H new ATOM 0 HA VAL A 11 132.695 -10.576 6.076 1.00 0.00 H new ATOM 0 HB VAL A 11 132.033 -10.501 8.452 1.00 0.00 H new ATOM 0 HG11 VAL A 11 130.209 -8.836 8.268 1.00 0.00 H new ATOM 0 HG12 VAL A 11 131.429 -8.590 6.995 1.00 0.00 H new ATOM 0 HG13 VAL A 11 129.881 -9.377 6.605 1.00 0.00 H new ATOM 0 HG21 VAL A 11 129.729 -11.148 9.105 1.00 0.00 H new ATOM 0 HG22 VAL A 11 129.408 -11.686 7.439 1.00 0.00 H new ATOM 0 HG23 VAL A 11 130.614 -12.537 8.432 1.00 0.00 H new ATOM 187 N ALA A 12 132.170 -13.573 5.886 1.00 0.00 N ATOM 188 CA ALA A 12 132.652 -14.973 6.124 1.00 0.00 C ATOM 189 C ALA A 12 133.657 -15.393 5.044 1.00 0.00 C ATOM 190 O ALA A 12 134.320 -16.405 5.169 1.00 0.00 O ATOM 191 CB ALA A 12 131.453 -15.920 6.084 1.00 0.00 C ATOM 0 H ALA A 12 131.633 -13.447 5.028 1.00 0.00 H new ATOM 0 HA ALA A 12 133.144 -15.017 7.095 1.00 0.00 H new ATOM 0 HB1 ALA A 12 131.791 -16.942 6.256 1.00 0.00 H new ATOM 0 HB2 ALA A 12 130.741 -15.638 6.859 1.00 0.00 H new ATOM 0 HB3 ALA A 12 130.971 -15.856 5.108 1.00 0.00 H new ATOM 197 N GLU A 13 133.790 -14.631 3.990 1.00 0.00 N ATOM 198 CA GLU A 13 134.769 -15.005 2.921 1.00 0.00 C ATOM 199 C GLU A 13 135.222 -13.736 2.181 1.00 0.00 C ATOM 200 O GLU A 13 134.484 -12.775 2.103 1.00 0.00 O ATOM 201 CB GLU A 13 134.109 -15.971 1.931 1.00 0.00 C ATOM 202 CG GLU A 13 132.738 -15.434 1.518 1.00 0.00 C ATOM 203 CD GLU A 13 132.243 -16.191 0.283 1.00 0.00 C ATOM 204 OE1 GLU A 13 132.578 -17.357 0.155 1.00 0.00 O ATOM 205 OE2 GLU A 13 131.540 -15.592 -0.512 1.00 0.00 O ATOM 0 H GLU A 13 133.268 -13.771 3.822 1.00 0.00 H new ATOM 0 HA GLU A 13 135.633 -15.492 3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 13 134.742 -16.093 1.052 1.00 0.00 H new ATOM 0 HB3 GLU A 13 134.002 -16.956 2.386 1.00 0.00 H new ATOM 0 HG2 GLU A 13 132.028 -15.550 2.337 1.00 0.00 H new ATOM 0 HG3 GLU A 13 132.804 -14.368 1.302 1.00 0.00 H new ATOM 212 N PRO A 14 136.415 -13.724 1.622 1.00 0.00 N ATOM 213 CA PRO A 14 136.921 -12.540 0.868 1.00 0.00 C ATOM 214 C PRO A 14 135.841 -11.923 -0.029 1.00 0.00 C ATOM 215 O PRO A 14 134.849 -12.551 -0.344 1.00 0.00 O ATOM 216 CB PRO A 14 138.062 -13.118 0.024 1.00 0.00 C ATOM 217 CG PRO A 14 138.599 -14.252 0.838 1.00 0.00 C ATOM 218 CD PRO A 14 137.415 -14.815 1.640 1.00 0.00 C ATOM 0 HA PRO A 14 137.235 -11.733 1.530 1.00 0.00 H new ATOM 0 HB2 PRO A 14 137.702 -13.462 -0.946 1.00 0.00 H new ATOM 0 HB3 PRO A 14 138.831 -12.370 -0.168 1.00 0.00 H new ATOM 0 HG2 PRO A 14 139.032 -15.019 0.196 1.00 0.00 H new ATOM 0 HG3 PRO A 14 139.391 -13.910 1.504 1.00 0.00 H new ATOM 0 HD2 PRO A 14 137.021 -15.724 1.185 1.00 0.00 H new ATOM 0 HD3 PRO A 14 137.709 -15.070 2.658 1.00 0.00 H new ATOM 226 N MET A 15 136.027 -10.698 -0.444 1.00 0.00 N ATOM 227 CA MET A 15 135.014 -10.040 -1.321 1.00 0.00 C ATOM 228 C MET A 15 135.370 -10.299 -2.789 1.00 0.00 C ATOM 229 O MET A 15 134.536 -10.202 -3.669 1.00 0.00 O ATOM 230 CB MET A 15 135.015 -8.531 -1.051 1.00 0.00 C ATOM 231 CG MET A 15 136.458 -8.030 -0.929 1.00 0.00 C ATOM 232 SD MET A 15 136.500 -6.239 -1.200 1.00 0.00 S ATOM 233 CE MET A 15 136.035 -5.728 0.473 1.00 0.00 C ATOM 0 H MET A 15 136.838 -10.124 -0.213 1.00 0.00 H new ATOM 0 HA MET A 15 134.025 -10.446 -1.110 1.00 0.00 H new ATOM 0 HB2 MET A 15 134.505 -8.007 -1.859 1.00 0.00 H new ATOM 0 HB3 MET A 15 134.466 -8.315 -0.134 1.00 0.00 H new ATOM 0 HG2 MET A 15 136.855 -8.269 0.058 1.00 0.00 H new ATOM 0 HG3 MET A 15 137.092 -8.534 -1.658 1.00 0.00 H new ATOM 0 HE1 MET A 15 135.482 -4.790 0.426 1.00 0.00 H new ATOM 0 HE2 MET A 15 135.409 -6.496 0.927 1.00 0.00 H new ATOM 0 HE3 MET A 15 136.934 -5.590 1.074 1.00 0.00 H new ATOM 243 N GLY A 16 136.604 -10.631 -3.055 1.00 0.00 N ATOM 244 CA GLY A 16 137.027 -10.905 -4.460 1.00 0.00 C ATOM 245 C GLY A 16 136.568 -9.766 -5.374 1.00 0.00 C ATOM 246 O GLY A 16 136.636 -8.606 -5.020 1.00 0.00 O ATOM 0 H GLY A 16 137.342 -10.725 -2.357 1.00 0.00 H new ATOM 0 HA2 GLY A 16 138.111 -11.008 -4.509 1.00 0.00 H new ATOM 0 HA3 GLY A 16 136.601 -11.849 -4.800 1.00 0.00 H new ATOM 250 N GLU A 17 136.119 -10.095 -6.561 1.00 0.00 N ATOM 251 CA GLU A 17 135.672 -9.045 -7.533 1.00 0.00 C ATOM 252 C GLU A 17 134.145 -9.019 -7.618 1.00 0.00 C ATOM 253 O GLU A 17 133.583 -8.667 -8.635 1.00 0.00 O ATOM 254 CB GLU A 17 136.240 -9.371 -8.916 1.00 0.00 C ATOM 255 CG GLU A 17 137.757 -9.168 -8.912 1.00 0.00 C ATOM 256 CD GLU A 17 138.318 -9.494 -10.297 1.00 0.00 C ATOM 257 OE1 GLU A 17 137.574 -10.024 -11.107 1.00 0.00 O ATOM 258 OE2 GLU A 17 139.482 -9.211 -10.526 1.00 0.00 O ATOM 0 H GLU A 17 136.042 -11.053 -6.902 1.00 0.00 H new ATOM 0 HA GLU A 17 136.029 -8.072 -7.196 1.00 0.00 H new ATOM 0 HB2 GLU A 17 136.002 -10.400 -9.184 1.00 0.00 H new ATOM 0 HB3 GLU A 17 135.780 -8.731 -9.669 1.00 0.00 H new ATOM 0 HG2 GLU A 17 137.996 -8.139 -8.644 1.00 0.00 H new ATOM 0 HG3 GLU A 17 138.219 -9.809 -8.161 1.00 0.00 H new ATOM 265 N LYS A 18 133.461 -9.391 -6.569 1.00 0.00 N ATOM 266 CA LYS A 18 131.972 -9.380 -6.622 1.00 0.00 C ATOM 267 C LYS A 18 131.504 -7.939 -6.888 1.00 0.00 C ATOM 268 O LYS A 18 132.157 -6.995 -6.489 1.00 0.00 O ATOM 269 CB LYS A 18 131.409 -9.864 -5.280 1.00 0.00 C ATOM 270 CG LYS A 18 131.702 -11.356 -5.106 1.00 0.00 C ATOM 271 CD LYS A 18 131.012 -11.868 -3.838 1.00 0.00 C ATOM 272 CE LYS A 18 131.440 -13.314 -3.566 1.00 0.00 C ATOM 273 NZ LYS A 18 131.657 -14.022 -4.860 1.00 0.00 N ATOM 0 H LYS A 18 133.866 -9.699 -5.685 1.00 0.00 H new ATOM 0 HA LYS A 18 131.619 -10.040 -7.415 1.00 0.00 H new ATOM 0 HB2 LYS A 18 131.855 -9.298 -4.462 1.00 0.00 H new ATOM 0 HB3 LYS A 18 130.334 -9.688 -5.241 1.00 0.00 H new ATOM 0 HG2 LYS A 18 131.348 -11.911 -5.975 1.00 0.00 H new ATOM 0 HG3 LYS A 18 132.777 -11.521 -5.039 1.00 0.00 H new ATOM 0 HD2 LYS A 18 131.273 -11.235 -2.990 1.00 0.00 H new ATOM 0 HD3 LYS A 18 129.930 -11.815 -3.954 1.00 0.00 H new ATOM 0 HE2 LYS A 18 132.355 -13.328 -2.974 1.00 0.00 H new ATOM 0 HE3 LYS A 18 130.675 -13.827 -2.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 131.696 -15.048 -4.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 130.873 -13.807 -5.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 132.553 -13.706 -5.283 1.00 0.00 H new ATOM 287 N PRO A 19 130.395 -7.760 -7.571 1.00 0.00 N ATOM 288 CA PRO A 19 129.867 -6.399 -7.901 1.00 0.00 C ATOM 289 C PRO A 19 129.454 -5.612 -6.652 1.00 0.00 C ATOM 290 O PRO A 19 129.166 -6.171 -5.613 1.00 0.00 O ATOM 291 CB PRO A 19 128.656 -6.679 -8.808 1.00 0.00 C ATOM 292 CG PRO A 19 128.238 -8.075 -8.471 1.00 0.00 C ATOM 293 CD PRO A 19 129.520 -8.820 -8.102 1.00 0.00 C ATOM 0 HA PRO A 19 130.624 -5.778 -8.380 1.00 0.00 H new ATOM 0 HB2 PRO A 19 127.850 -5.969 -8.621 1.00 0.00 H new ATOM 0 HB3 PRO A 19 128.922 -6.590 -9.861 1.00 0.00 H new ATOM 0 HG2 PRO A 19 127.531 -8.081 -7.642 1.00 0.00 H new ATOM 0 HG3 PRO A 19 127.741 -8.549 -9.318 1.00 0.00 H new ATOM 0 HD2 PRO A 19 129.333 -9.596 -7.359 1.00 0.00 H new ATOM 0 HD3 PRO A 19 129.963 -9.309 -8.969 1.00 0.00 H new ATOM 301 N VAL A 20 129.437 -4.311 -6.757 1.00 0.00 N ATOM 302 CA VAL A 20 129.060 -3.463 -5.593 1.00 0.00 C ATOM 303 C VAL A 20 127.696 -3.889 -5.042 1.00 0.00 C ATOM 304 O VAL A 20 127.498 -3.977 -3.847 1.00 0.00 O ATOM 305 CB VAL A 20 129.002 -1.999 -6.033 1.00 0.00 C ATOM 306 CG1 VAL A 20 128.006 -1.843 -7.186 1.00 0.00 C ATOM 307 CG2 VAL A 20 128.554 -1.130 -4.855 1.00 0.00 C ATOM 0 H VAL A 20 129.670 -3.797 -7.606 1.00 0.00 H new ATOM 0 HA VAL A 20 129.807 -3.584 -4.808 1.00 0.00 H new ATOM 0 HB VAL A 20 129.991 -1.685 -6.366 1.00 0.00 H new ATOM 0 HG11 VAL A 20 127.968 -0.799 -7.496 1.00 0.00 H new ATOM 0 HG12 VAL A 20 128.323 -2.460 -8.027 1.00 0.00 H new ATOM 0 HG13 VAL A 20 127.016 -2.160 -6.857 1.00 0.00 H new ATOM 0 HG21 VAL A 20 128.512 -0.087 -5.168 1.00 0.00 H new ATOM 0 HG22 VAL A 20 127.566 -1.449 -4.523 1.00 0.00 H new ATOM 0 HG23 VAL A 20 129.264 -1.235 -4.035 1.00 0.00 H new ATOM 317 N GLY A 21 126.744 -4.131 -5.910 1.00 0.00 N ATOM 318 CA GLY A 21 125.382 -4.527 -5.452 1.00 0.00 C ATOM 319 C GLY A 21 125.455 -5.751 -4.538 1.00 0.00 C ATOM 320 O GLY A 21 124.457 -6.182 -3.995 1.00 0.00 O ATOM 0 H GLY A 21 126.856 -4.070 -6.922 1.00 0.00 H new ATOM 0 HA2 GLY A 21 124.916 -3.697 -4.921 1.00 0.00 H new ATOM 0 HA3 GLY A 21 124.753 -4.747 -6.314 1.00 0.00 H new ATOM 324 N SER A 22 126.614 -6.325 -4.356 1.00 0.00 N ATOM 325 CA SER A 22 126.715 -7.519 -3.469 1.00 0.00 C ATOM 326 C SER A 22 126.795 -7.061 -2.011 1.00 0.00 C ATOM 327 O SER A 22 126.533 -7.818 -1.097 1.00 0.00 O ATOM 328 CB SER A 22 127.975 -8.310 -3.821 1.00 0.00 C ATOM 329 OG SER A 22 127.904 -8.729 -5.177 1.00 0.00 O ATOM 0 H SER A 22 127.490 -6.021 -4.780 1.00 0.00 H new ATOM 0 HA SER A 22 125.838 -8.151 -3.607 1.00 0.00 H new ATOM 0 HB2 SER A 22 128.860 -7.694 -3.665 1.00 0.00 H new ATOM 0 HB3 SER A 22 128.070 -9.176 -3.166 1.00 0.00 H new ATOM 0 HG SER A 22 128.426 -8.116 -5.736 1.00 0.00 H new ATOM 335 N LEU A 23 127.158 -5.826 -1.785 1.00 0.00 N ATOM 336 CA LEU A 23 127.257 -5.322 -0.387 1.00 0.00 C ATOM 337 C LEU A 23 125.872 -5.317 0.263 1.00 0.00 C ATOM 338 O LEU A 23 124.892 -4.916 -0.333 1.00 0.00 O ATOM 339 CB LEU A 23 127.813 -3.897 -0.395 1.00 0.00 C ATOM 340 CG LEU A 23 129.232 -3.888 -0.978 1.00 0.00 C ATOM 341 CD1 LEU A 23 129.718 -2.439 -1.087 1.00 0.00 C ATOM 342 CD2 LEU A 23 130.186 -4.693 -0.071 1.00 0.00 C ATOM 0 H LEU A 23 127.390 -5.146 -2.509 1.00 0.00 H new ATOM 0 HA LEU A 23 127.922 -5.974 0.180 1.00 0.00 H new ATOM 0 HB2 LEU A 23 127.165 -3.249 -0.985 1.00 0.00 H new ATOM 0 HB3 LEU A 23 127.826 -3.498 0.619 1.00 0.00 H new ATOM 0 HG LEU A 23 129.220 -4.349 -1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 23 130.726 -2.424 -1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 23 129.049 -1.879 -1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 23 129.725 -1.982 -0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 23 131.190 -4.679 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 23 130.206 -4.246 0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 23 129.837 -5.723 0.001 1.00 0.00 H new ATOM 354 N ALA A 24 125.795 -5.754 1.485 1.00 0.00 N ATOM 355 CA ALA A 24 124.481 -5.771 2.185 1.00 0.00 C ATOM 356 C ALA A 24 123.975 -4.336 2.366 1.00 0.00 C ATOM 357 O ALA A 24 124.714 -3.443 2.731 1.00 0.00 O ATOM 358 CB ALA A 24 124.641 -6.435 3.554 1.00 0.00 C ATOM 0 H ALA A 24 126.584 -6.101 2.031 1.00 0.00 H new ATOM 0 HA ALA A 24 123.761 -6.334 1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 24 123.679 -6.448 4.067 1.00 0.00 H new ATOM 0 HB2 ALA A 24 124.996 -7.457 3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 24 125.362 -5.874 4.149 1.00 0.00 H new ATOM 364 N GLY A 25 122.713 -4.116 2.106 1.00 0.00 N ATOM 365 CA GLY A 25 122.131 -2.744 2.253 1.00 0.00 C ATOM 366 C GLY A 25 122.044 -2.072 0.880 1.00 0.00 C ATOM 367 O GLY A 25 121.339 -1.098 0.701 1.00 0.00 O ATOM 0 H GLY A 25 122.054 -4.831 1.796 1.00 0.00 H new ATOM 0 HA2 GLY A 25 121.140 -2.805 2.703 1.00 0.00 H new ATOM 0 HA3 GLY A 25 122.749 -2.146 2.923 1.00 0.00 H new ATOM 371 N ILE A 26 122.744 -2.591 -0.097 1.00 0.00 N ATOM 372 CA ILE A 26 122.694 -1.992 -1.467 1.00 0.00 C ATOM 373 C ILE A 26 121.726 -2.816 -2.313 1.00 0.00 C ATOM 374 O ILE A 26 121.948 -3.986 -2.550 1.00 0.00 O ATOM 375 CB ILE A 26 124.087 -2.050 -2.101 1.00 0.00 C ATOM 376 CG1 ILE A 26 125.115 -1.372 -1.181 1.00 0.00 C ATOM 377 CG2 ILE A 26 124.063 -1.344 -3.458 1.00 0.00 C ATOM 378 CD1 ILE A 26 124.669 0.052 -0.826 1.00 0.00 C ATOM 0 H ILE A 26 123.350 -3.406 -0.005 1.00 0.00 H new ATOM 0 HA ILE A 26 122.366 -0.954 -1.412 1.00 0.00 H new ATOM 0 HB ILE A 26 124.371 -3.093 -2.240 1.00 0.00 H new ATOM 0 HG12 ILE A 26 125.237 -1.958 -0.270 1.00 0.00 H new ATOM 0 HG13 ILE A 26 126.087 -1.342 -1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 26 125.055 -1.386 -3.908 1.00 0.00 H new ATOM 0 HG22 ILE A 26 123.346 -1.839 -4.113 1.00 0.00 H new ATOM 0 HG23 ILE A 26 123.771 -0.303 -3.321 1.00 0.00 H new ATOM 0 HD11 ILE A 26 125.411 0.514 -0.174 1.00 0.00 H new ATOM 0 HD12 ILE A 26 124.571 0.641 -1.738 1.00 0.00 H new ATOM 0 HD13 ILE A 26 123.708 0.015 -0.313 1.00 0.00 H new ATOM 390 N GLY A 27 120.653 -2.228 -2.783 1.00 0.00 N ATOM 391 CA GLY A 27 119.687 -2.996 -3.622 1.00 0.00 C ATOM 392 C GLY A 27 120.064 -2.844 -5.098 1.00 0.00 C ATOM 393 O GLY A 27 120.961 -2.105 -5.449 1.00 0.00 O ATOM 0 H GLY A 27 120.407 -1.252 -2.621 1.00 0.00 H new ATOM 0 HA2 GLY A 27 119.699 -4.048 -3.339 1.00 0.00 H new ATOM 0 HA3 GLY A 27 118.673 -2.632 -3.455 1.00 0.00 H new ATOM 397 N GLU A 28 119.402 -3.564 -5.958 1.00 0.00 N ATOM 398 CA GLU A 28 119.735 -3.488 -7.411 1.00 0.00 C ATOM 399 C GLU A 28 119.638 -2.044 -7.913 1.00 0.00 C ATOM 400 O GLU A 28 120.447 -1.604 -8.704 1.00 0.00 O ATOM 401 CB GLU A 28 118.751 -4.358 -8.194 1.00 0.00 C ATOM 402 CG GLU A 28 119.022 -5.835 -7.902 1.00 0.00 C ATOM 403 CD GLU A 28 118.020 -6.698 -8.670 1.00 0.00 C ATOM 404 OE1 GLU A 28 117.082 -6.138 -9.215 1.00 0.00 O ATOM 405 OE2 GLU A 28 118.206 -7.903 -8.701 1.00 0.00 O ATOM 0 H GLU A 28 118.644 -4.203 -5.720 1.00 0.00 H new ATOM 0 HA GLU A 28 120.755 -3.842 -7.558 1.00 0.00 H new ATOM 0 HB2 GLU A 28 117.727 -4.105 -7.918 1.00 0.00 H new ATOM 0 HB3 GLU A 28 118.850 -4.165 -9.262 1.00 0.00 H new ATOM 0 HG2 GLU A 28 120.040 -6.094 -8.194 1.00 0.00 H new ATOM 0 HG3 GLU A 28 118.939 -6.027 -6.832 1.00 0.00 H new ATOM 412 N VAL A 29 118.657 -1.304 -7.477 1.00 0.00 N ATOM 413 CA VAL A 29 118.527 0.102 -7.960 1.00 0.00 C ATOM 414 C VAL A 29 119.672 0.948 -7.401 1.00 0.00 C ATOM 415 O VAL A 29 120.241 1.772 -8.088 1.00 0.00 O ATOM 416 CB VAL A 29 117.188 0.678 -7.497 1.00 0.00 C ATOM 417 CG1 VAL A 29 117.119 2.169 -7.845 1.00 0.00 C ATOM 418 CG2 VAL A 29 116.047 -0.065 -8.195 1.00 0.00 C ATOM 0 H VAL A 29 117.945 -1.607 -6.813 1.00 0.00 H new ATOM 0 HA VAL A 29 118.571 0.116 -9.049 1.00 0.00 H new ATOM 0 HB VAL A 29 117.095 0.557 -6.418 1.00 0.00 H new ATOM 0 HG11 VAL A 29 116.164 2.576 -7.514 1.00 0.00 H new ATOM 0 HG12 VAL A 29 117.931 2.697 -7.346 1.00 0.00 H new ATOM 0 HG13 VAL A 29 117.213 2.296 -8.924 1.00 0.00 H new ATOM 0 HG21 VAL A 29 115.092 0.344 -7.866 1.00 0.00 H new ATOM 0 HG22 VAL A 29 116.141 0.055 -9.274 1.00 0.00 H new ATOM 0 HG23 VAL A 29 116.094 -1.124 -7.942 1.00 0.00 H new ATOM 428 N LEU A 30 120.007 0.758 -6.155 1.00 0.00 N ATOM 429 CA LEU A 30 121.105 1.556 -5.544 1.00 0.00 C ATOM 430 C LEU A 30 122.437 1.176 -6.189 1.00 0.00 C ATOM 431 O LEU A 30 123.286 2.012 -6.426 1.00 0.00 O ATOM 432 CB LEU A 30 121.160 1.282 -4.037 1.00 0.00 C ATOM 433 CG LEU A 30 119.856 1.750 -3.372 1.00 0.00 C ATOM 434 CD1 LEU A 30 119.870 1.345 -1.895 1.00 0.00 C ATOM 435 CD2 LEU A 30 119.715 3.282 -3.489 1.00 0.00 C ATOM 0 H LEU A 30 119.566 0.082 -5.532 1.00 0.00 H new ATOM 0 HA LEU A 30 120.918 2.617 -5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 30 121.308 0.217 -3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 30 122.010 1.801 -3.595 1.00 0.00 H new ATOM 0 HG LEU A 30 119.010 1.282 -3.875 1.00 0.00 H new ATOM 0 HD11 LEU A 30 118.947 1.675 -1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 30 119.952 0.261 -1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 30 120.721 1.811 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 30 118.787 3.599 -3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 30 120.559 3.764 -2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 30 119.700 3.567 -4.541 1.00 0.00 H new ATOM 447 N GLY A 31 122.625 -0.080 -6.480 1.00 0.00 N ATOM 448 CA GLY A 31 123.902 -0.509 -7.115 1.00 0.00 C ATOM 449 C GLY A 31 124.075 0.212 -8.456 1.00 0.00 C ATOM 450 O GLY A 31 125.167 0.584 -8.835 1.00 0.00 O ATOM 0 H GLY A 31 121.952 -0.827 -6.306 1.00 0.00 H new ATOM 0 HA2 GLY A 31 124.741 -0.282 -6.457 1.00 0.00 H new ATOM 0 HA3 GLY A 31 123.899 -1.588 -7.268 1.00 0.00 H new ATOM 454 N LYS A 32 123.005 0.398 -9.182 1.00 0.00 N ATOM 455 CA LYS A 32 123.105 1.078 -10.507 1.00 0.00 C ATOM 456 C LYS A 32 123.529 2.544 -10.341 1.00 0.00 C ATOM 457 O LYS A 32 124.300 3.059 -11.126 1.00 0.00 O ATOM 458 CB LYS A 32 121.749 1.021 -11.215 1.00 0.00 C ATOM 459 CG LYS A 32 121.461 -0.418 -11.644 1.00 0.00 C ATOM 460 CD LYS A 32 120.106 -0.479 -12.351 1.00 0.00 C ATOM 461 CE LYS A 32 119.819 -1.919 -12.780 1.00 0.00 C ATOM 462 NZ LYS A 32 119.562 -2.754 -11.572 1.00 0.00 N ATOM 0 H LYS A 32 122.064 0.108 -8.915 1.00 0.00 H new ATOM 0 HA LYS A 32 123.859 0.563 -11.102 1.00 0.00 H new ATOM 0 HB2 LYS A 32 120.963 1.378 -10.549 1.00 0.00 H new ATOM 0 HB3 LYS A 32 121.752 1.678 -12.085 1.00 0.00 H new ATOM 0 HG2 LYS A 32 122.247 -0.774 -12.310 1.00 0.00 H new ATOM 0 HG3 LYS A 32 121.459 -1.074 -10.774 1.00 0.00 H new ATOM 0 HD2 LYS A 32 119.320 -0.123 -11.685 1.00 0.00 H new ATOM 0 HD3 LYS A 32 120.108 0.177 -13.221 1.00 0.00 H new ATOM 0 HE2 LYS A 32 118.956 -1.947 -13.445 1.00 0.00 H new ATOM 0 HE3 LYS A 32 120.665 -2.319 -13.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 120.263 -3.521 -11.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 119.637 -2.163 -10.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 118.606 -3.161 -11.628 1.00 0.00 H new ATOM 476 N LYS A 33 123.025 3.234 -9.352 1.00 0.00 N ATOM 477 CA LYS A 33 123.409 4.670 -9.198 1.00 0.00 C ATOM 478 C LYS A 33 124.896 4.767 -8.832 1.00 0.00 C ATOM 479 O LYS A 33 125.619 5.591 -9.356 1.00 0.00 O ATOM 480 CB LYS A 33 122.574 5.305 -8.080 1.00 0.00 C ATOM 481 CG LYS A 33 121.101 5.372 -8.494 1.00 0.00 C ATOM 482 CD LYS A 33 120.289 6.010 -7.359 1.00 0.00 C ATOM 483 CE LYS A 33 118.802 6.078 -7.738 1.00 0.00 C ATOM 484 NZ LYS A 33 118.544 7.296 -8.559 1.00 0.00 N ATOM 0 H LYS A 33 122.374 2.874 -8.654 1.00 0.00 H new ATOM 0 HA LYS A 33 123.227 5.195 -10.136 1.00 0.00 H new ATOM 0 HB2 LYS A 33 122.676 4.723 -7.164 1.00 0.00 H new ATOM 0 HB3 LYS A 33 122.945 6.307 -7.863 1.00 0.00 H new ATOM 0 HG2 LYS A 33 120.993 5.956 -9.408 1.00 0.00 H new ATOM 0 HG3 LYS A 33 120.725 4.372 -8.709 1.00 0.00 H new ATOM 0 HD2 LYS A 33 120.412 5.430 -6.445 1.00 0.00 H new ATOM 0 HD3 LYS A 33 120.665 7.012 -7.153 1.00 0.00 H new ATOM 0 HE2 LYS A 33 118.519 5.186 -8.296 1.00 0.00 H new ATOM 0 HE3 LYS A 33 118.189 6.099 -6.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 117.536 7.337 -8.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 118.798 8.143 -8.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 119.118 7.258 -9.426 1.00 0.00 H new ATOM 498 N LEU A 34 125.364 3.924 -7.949 1.00 0.00 N ATOM 499 CA LEU A 34 126.809 3.957 -7.567 1.00 0.00 C ATOM 500 C LEU A 34 127.665 3.613 -8.793 1.00 0.00 C ATOM 501 O LEU A 34 128.713 4.185 -9.022 1.00 0.00 O ATOM 502 CB LEU A 34 127.073 2.943 -6.449 1.00 0.00 C ATOM 503 CG LEU A 34 126.369 3.374 -5.155 1.00 0.00 C ATOM 504 CD1 LEU A 34 126.450 2.227 -4.144 1.00 0.00 C ATOM 505 CD2 LEU A 34 127.041 4.632 -4.562 1.00 0.00 C ATOM 0 H LEU A 34 124.808 3.213 -7.475 1.00 0.00 H new ATOM 0 HA LEU A 34 127.068 4.954 -7.210 1.00 0.00 H new ATOM 0 HB2 LEU A 34 126.718 1.958 -6.752 1.00 0.00 H new ATOM 0 HB3 LEU A 34 128.145 2.856 -6.275 1.00 0.00 H new ATOM 0 HG LEU A 34 125.328 3.611 -5.376 1.00 0.00 H new ATOM 0 HD11 LEU A 34 125.953 2.521 -3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 34 125.960 1.345 -4.555 1.00 0.00 H new ATOM 0 HD13 LEU A 34 127.495 1.998 -3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 34 126.527 4.921 -3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 34 128.086 4.416 -4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 34 126.985 5.448 -5.282 1.00 0.00 H new ATOM 517 N GLU A 35 127.218 2.668 -9.568 1.00 0.00 N ATOM 518 CA GLU A 35 128.000 2.261 -10.775 1.00 0.00 C ATOM 519 C GLU A 35 128.161 3.459 -11.712 1.00 0.00 C ATOM 520 O GLU A 35 129.213 3.680 -12.280 1.00 0.00 O ATOM 521 CB GLU A 35 127.266 1.123 -11.493 1.00 0.00 C ATOM 522 CG GLU A 35 128.043 0.697 -12.743 1.00 0.00 C ATOM 523 CD GLU A 35 127.303 -0.453 -13.428 1.00 0.00 C ATOM 524 OE1 GLU A 35 126.377 -0.977 -12.828 1.00 0.00 O ATOM 525 OE2 GLU A 35 127.676 -0.796 -14.537 1.00 0.00 O ATOM 0 H GLU A 35 126.347 2.158 -9.422 1.00 0.00 H new ATOM 0 HA GLU A 35 128.989 1.916 -10.473 1.00 0.00 H new ATOM 0 HB2 GLU A 35 127.151 0.273 -10.820 1.00 0.00 H new ATOM 0 HB3 GLU A 35 126.263 1.446 -11.772 1.00 0.00 H new ATOM 0 HG2 GLU A 35 128.144 1.539 -13.428 1.00 0.00 H new ATOM 0 HG3 GLU A 35 129.051 0.385 -12.470 1.00 0.00 H new ATOM 532 N GLU A 36 127.136 4.243 -11.863 1.00 0.00 N ATOM 533 CA GLU A 36 127.230 5.440 -12.743 1.00 0.00 C ATOM 534 C GLU A 36 128.200 6.440 -12.120 1.00 0.00 C ATOM 535 O GLU A 36 128.698 7.335 -12.773 1.00 0.00 O ATOM 536 CB GLU A 36 125.848 6.085 -12.872 1.00 0.00 C ATOM 537 CG GLU A 36 124.947 5.204 -13.740 1.00 0.00 C ATOM 538 CD GLU A 36 125.419 5.274 -15.194 1.00 0.00 C ATOM 539 OE1 GLU A 36 126.052 6.256 -15.543 1.00 0.00 O ATOM 540 OE2 GLU A 36 125.137 4.346 -15.934 1.00 0.00 O ATOM 0 H GLU A 36 126.231 4.107 -11.413 1.00 0.00 H new ATOM 0 HA GLU A 36 127.587 5.146 -13.730 1.00 0.00 H new ATOM 0 HB2 GLU A 36 125.404 6.216 -11.885 1.00 0.00 H new ATOM 0 HB3 GLU A 36 125.939 7.077 -13.315 1.00 0.00 H new ATOM 0 HG2 GLU A 36 124.976 4.174 -13.386 1.00 0.00 H new ATOM 0 HG3 GLU A 36 123.912 5.538 -13.665 1.00 0.00 H new ATOM 547 N ARG A 37 128.452 6.305 -10.848 1.00 0.00 N ATOM 548 CA ARG A 37 129.369 7.261 -10.159 1.00 0.00 C ATOM 549 C ARG A 37 130.814 6.743 -10.197 1.00 0.00 C ATOM 550 O ARG A 37 131.714 7.379 -9.684 1.00 0.00 O ATOM 551 CB ARG A 37 128.913 7.437 -8.707 1.00 0.00 C ATOM 552 CG ARG A 37 127.506 8.053 -8.666 1.00 0.00 C ATOM 553 CD ARG A 37 127.571 9.570 -8.890 1.00 0.00 C ATOM 554 NE ARG A 37 126.232 10.162 -8.618 1.00 0.00 N ATOM 555 CZ ARG A 37 126.108 11.451 -8.457 1.00 0.00 C ATOM 556 NH1 ARG A 37 127.160 12.219 -8.520 1.00 0.00 N ATOM 557 NH2 ARG A 37 124.933 11.970 -8.233 1.00 0.00 N ATOM 0 H ARG A 37 128.063 5.573 -10.253 1.00 0.00 H new ATOM 0 HA ARG A 37 129.336 8.222 -10.673 1.00 0.00 H new ATOM 0 HB2 ARG A 37 128.911 6.473 -8.199 1.00 0.00 H new ATOM 0 HB3 ARG A 37 129.615 8.078 -8.173 1.00 0.00 H new ATOM 0 HG2 ARG A 37 126.880 7.594 -9.431 1.00 0.00 H new ATOM 0 HG3 ARG A 37 127.039 7.842 -7.704 1.00 0.00 H new ATOM 0 HD2 ARG A 37 128.319 10.015 -8.234 1.00 0.00 H new ATOM 0 HD3 ARG A 37 127.876 9.786 -9.914 1.00 0.00 H new ATOM 0 HE ARG A 37 125.411 9.560 -8.557 1.00 0.00 H new ATOM 0 HH11 ARG A 37 128.079 11.812 -8.695 1.00 0.00 H new ATOM 0 HH12 ARG A 37 127.064 13.227 -8.394 1.00 0.00 H new ATOM 0 HH21 ARG A 37 124.111 11.368 -8.184 1.00 0.00 H new ATOM 0 HH22 ARG A 37 124.836 12.978 -8.107 1.00 0.00 H new ATOM 571 N GLY A 38 131.056 5.620 -10.836 1.00 0.00 N ATOM 572 CA GLY A 38 132.462 5.100 -10.947 1.00 0.00 C ATOM 573 C GLY A 38 132.718 3.933 -9.987 1.00 0.00 C ATOM 574 O GLY A 38 133.833 3.460 -9.884 1.00 0.00 O ATOM 0 H GLY A 38 130.345 5.042 -11.284 1.00 0.00 H new ATOM 0 HA2 GLY A 38 132.649 4.776 -11.971 1.00 0.00 H new ATOM 0 HA3 GLY A 38 133.165 5.906 -10.734 1.00 0.00 H new ATOM 578 N PHE A 39 131.719 3.448 -9.294 1.00 0.00 N ATOM 579 CA PHE A 39 131.939 2.294 -8.360 1.00 0.00 C ATOM 580 C PHE A 39 131.372 1.024 -8.995 1.00 0.00 C ATOM 581 O PHE A 39 130.334 0.530 -8.600 1.00 0.00 O ATOM 582 CB PHE A 39 131.205 2.554 -7.046 1.00 0.00 C ATOM 583 CG PHE A 39 131.814 3.741 -6.343 1.00 0.00 C ATOM 584 CD1 PHE A 39 132.868 3.558 -5.444 1.00 0.00 C ATOM 585 CD2 PHE A 39 131.324 5.021 -6.596 1.00 0.00 C ATOM 586 CE1 PHE A 39 133.432 4.663 -4.797 1.00 0.00 C ATOM 587 CE2 PHE A 39 131.886 6.128 -5.951 1.00 0.00 C ATOM 588 CZ PHE A 39 132.941 5.949 -5.051 1.00 0.00 C ATOM 0 H PHE A 39 130.762 3.798 -9.332 1.00 0.00 H new ATOM 0 HA PHE A 39 133.006 2.178 -8.170 1.00 0.00 H new ATOM 0 HB2 PHE A 39 130.148 2.738 -7.240 1.00 0.00 H new ATOM 0 HB3 PHE A 39 131.263 1.673 -6.407 1.00 0.00 H new ATOM 0 HD1 PHE A 39 133.247 2.566 -5.249 1.00 0.00 H new ATOM 0 HD2 PHE A 39 130.509 5.159 -7.291 1.00 0.00 H new ATOM 0 HE1 PHE A 39 134.246 4.524 -4.101 1.00 0.00 H new ATOM 0 HE2 PHE A 39 131.506 7.119 -6.148 1.00 0.00 H new ATOM 0 HZ PHE A 39 133.377 6.802 -4.552 1.00 0.00 H new ATOM 598 N ASP A 40 132.044 0.496 -9.980 1.00 0.00 N ATOM 599 CA ASP A 40 131.536 -0.738 -10.643 1.00 0.00 C ATOM 600 C ASP A 40 131.928 -1.971 -9.821 1.00 0.00 C ATOM 601 O ASP A 40 131.440 -3.058 -10.058 1.00 0.00 O ATOM 602 CB ASP A 40 132.136 -0.844 -12.047 1.00 0.00 C ATOM 603 CG ASP A 40 133.661 -0.895 -11.952 1.00 0.00 C ATOM 604 OD1 ASP A 40 134.188 -0.442 -10.949 1.00 0.00 O ATOM 605 OD2 ASP A 40 134.278 -1.389 -12.882 1.00 0.00 O ATOM 0 H ASP A 40 132.919 0.863 -10.353 1.00 0.00 H new ATOM 0 HA ASP A 40 130.449 -0.688 -10.713 1.00 0.00 H new ATOM 0 HB2 ASP A 40 131.763 -1.738 -12.546 1.00 0.00 H new ATOM 0 HB3 ASP A 40 131.828 0.010 -12.650 1.00 0.00 H new ATOM 610 N LYS A 41 132.817 -1.815 -8.864 1.00 0.00 N ATOM 611 CA LYS A 41 133.257 -2.986 -8.030 1.00 0.00 C ATOM 612 C LYS A 41 133.170 -2.620 -6.543 1.00 0.00 C ATOM 613 O LYS A 41 133.276 -1.471 -6.164 1.00 0.00 O ATOM 614 CB LYS A 41 134.704 -3.334 -8.388 1.00 0.00 C ATOM 615 CG LYS A 41 134.813 -3.686 -9.881 1.00 0.00 C ATOM 616 CD LYS A 41 134.150 -5.039 -10.172 1.00 0.00 C ATOM 617 CE LYS A 41 134.562 -5.513 -11.568 1.00 0.00 C ATOM 618 NZ LYS A 41 136.000 -5.901 -11.559 1.00 0.00 N ATOM 0 H LYS A 41 133.257 -0.927 -8.624 1.00 0.00 H new ATOM 0 HA LYS A 41 132.611 -3.842 -8.226 1.00 0.00 H new ATOM 0 HB2 LYS A 41 135.356 -2.491 -8.157 1.00 0.00 H new ATOM 0 HB3 LYS A 41 135.044 -4.175 -7.783 1.00 0.00 H new ATOM 0 HG2 LYS A 41 134.338 -2.907 -10.478 1.00 0.00 H new ATOM 0 HG3 LYS A 41 135.862 -3.719 -10.176 1.00 0.00 H new ATOM 0 HD2 LYS A 41 134.449 -5.772 -9.423 1.00 0.00 H new ATOM 0 HD3 LYS A 41 133.066 -4.946 -10.112 1.00 0.00 H new ATOM 0 HE2 LYS A 41 133.948 -6.361 -11.871 1.00 0.00 H new ATOM 0 HE3 LYS A 41 134.393 -4.720 -12.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 136.179 -6.589 -12.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 136.588 -5.057 -11.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 136.239 -6.328 -10.641 1.00 0.00 H new ATOM 632 N ALA A 42 132.949 -3.598 -5.702 1.00 0.00 N ATOM 633 CA ALA A 42 132.823 -3.333 -4.237 1.00 0.00 C ATOM 634 C ALA A 42 134.144 -2.836 -3.625 1.00 0.00 C ATOM 635 O ALA A 42 134.142 -1.972 -2.771 1.00 0.00 O ATOM 636 CB ALA A 42 132.403 -4.622 -3.531 1.00 0.00 C ATOM 0 H ALA A 42 132.850 -4.577 -5.970 1.00 0.00 H new ATOM 0 HA ALA A 42 132.075 -2.552 -4.102 1.00 0.00 H new ATOM 0 HB1 ALA A 42 132.309 -4.437 -2.461 1.00 0.00 H new ATOM 0 HB2 ALA A 42 131.445 -4.958 -3.927 1.00 0.00 H new ATOM 0 HB3 ALA A 42 133.156 -5.392 -3.701 1.00 0.00 H new ATOM 642 N TYR A 43 135.267 -3.383 -4.015 1.00 0.00 N ATOM 643 CA TYR A 43 136.554 -2.941 -3.396 1.00 0.00 C ATOM 644 C TYR A 43 136.764 -1.435 -3.599 1.00 0.00 C ATOM 645 O TYR A 43 137.518 -0.812 -2.877 1.00 0.00 O ATOM 646 CB TYR A 43 137.741 -3.733 -3.966 1.00 0.00 C ATOM 647 CG TYR A 43 137.928 -3.447 -5.436 1.00 0.00 C ATOM 648 CD1 TYR A 43 138.541 -2.258 -5.845 1.00 0.00 C ATOM 649 CD2 TYR A 43 137.507 -4.380 -6.391 1.00 0.00 C ATOM 650 CE1 TYR A 43 138.730 -2.000 -7.205 1.00 0.00 C ATOM 651 CE2 TYR A 43 137.695 -4.122 -7.753 1.00 0.00 C ATOM 652 CZ TYR A 43 138.307 -2.931 -8.160 1.00 0.00 C ATOM 653 OH TYR A 43 138.494 -2.676 -9.503 1.00 0.00 O ATOM 0 H TYR A 43 135.349 -4.109 -4.727 1.00 0.00 H new ATOM 0 HA TYR A 43 136.497 -3.140 -2.326 1.00 0.00 H new ATOM 0 HB2 TYR A 43 138.650 -3.473 -3.423 1.00 0.00 H new ATOM 0 HB3 TYR A 43 137.575 -4.800 -3.818 1.00 0.00 H new ATOM 0 HD1 TYR A 43 138.868 -1.539 -5.109 1.00 0.00 H new ATOM 0 HD2 TYR A 43 137.037 -5.300 -6.076 1.00 0.00 H new ATOM 0 HE1 TYR A 43 139.203 -1.081 -7.519 1.00 0.00 H new ATOM 0 HE2 TYR A 43 137.368 -4.841 -8.490 1.00 0.00 H new ATOM 0 HH TYR A 43 138.144 -3.425 -10.030 1.00 0.00 H new ATOM 663 N VAL A 44 136.090 -0.829 -4.541 1.00 0.00 N ATOM 664 CA VAL A 44 136.254 0.646 -4.724 1.00 0.00 C ATOM 665 C VAL A 44 135.408 1.347 -3.653 1.00 0.00 C ATOM 666 O VAL A 44 135.746 2.404 -3.150 1.00 0.00 O ATOM 667 CB VAL A 44 135.770 1.071 -6.118 1.00 0.00 C ATOM 668 CG1 VAL A 44 135.994 2.576 -6.306 1.00 0.00 C ATOM 669 CG2 VAL A 44 136.553 0.317 -7.196 1.00 0.00 C ATOM 0 H VAL A 44 135.441 -1.283 -5.184 1.00 0.00 H new ATOM 0 HA VAL A 44 137.305 0.918 -4.630 1.00 0.00 H new ATOM 0 HB VAL A 44 134.709 0.839 -6.206 1.00 0.00 H new ATOM 0 HG11 VAL A 44 135.650 2.874 -7.296 1.00 0.00 H new ATOM 0 HG12 VAL A 44 135.436 3.124 -5.547 1.00 0.00 H new ATOM 0 HG13 VAL A 44 137.056 2.801 -6.208 1.00 0.00 H new ATOM 0 HG21 VAL A 44 136.203 0.624 -8.182 1.00 0.00 H new ATOM 0 HG22 VAL A 44 137.615 0.544 -7.100 1.00 0.00 H new ATOM 0 HG23 VAL A 44 136.399 -0.755 -7.075 1.00 0.00 H new ATOM 679 N VAL A 45 134.305 0.736 -3.306 1.00 0.00 N ATOM 680 CA VAL A 45 133.400 1.315 -2.272 1.00 0.00 C ATOM 681 C VAL A 45 134.053 1.126 -0.904 1.00 0.00 C ATOM 682 O VAL A 45 134.012 1.999 -0.059 1.00 0.00 O ATOM 683 CB VAL A 45 132.051 0.590 -2.304 1.00 0.00 C ATOM 684 CG1 VAL A 45 131.191 1.052 -1.125 1.00 0.00 C ATOM 685 CG2 VAL A 45 131.331 0.906 -3.619 1.00 0.00 C ATOM 0 H VAL A 45 133.990 -0.150 -3.701 1.00 0.00 H new ATOM 0 HA VAL A 45 133.235 2.375 -2.467 1.00 0.00 H new ATOM 0 HB VAL A 45 132.216 -0.485 -2.230 1.00 0.00 H new ATOM 0 HG11 VAL A 45 130.232 0.535 -1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 45 131.702 0.823 -0.190 1.00 0.00 H new ATOM 0 HG13 VAL A 45 131.026 2.127 -1.195 1.00 0.00 H new ATOM 0 HG21 VAL A 45 130.371 0.390 -3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 45 131.167 1.981 -3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 45 131.942 0.572 -4.458 1.00 0.00 H new ATOM 695 N LEU A 46 134.683 0.005 -0.689 1.00 0.00 N ATOM 696 CA LEU A 46 135.367 -0.221 0.610 1.00 0.00 C ATOM 697 C LEU A 46 136.424 0.866 0.784 1.00 0.00 C ATOM 698 O LEU A 46 136.661 1.355 1.870 1.00 0.00 O ATOM 699 CB LEU A 46 136.039 -1.602 0.605 1.00 0.00 C ATOM 700 CG LEU A 46 136.873 -1.791 1.885 1.00 0.00 C ATOM 701 CD1 LEU A 46 135.979 -1.620 3.126 1.00 0.00 C ATOM 702 CD2 LEU A 46 137.521 -3.188 1.888 1.00 0.00 C ATOM 0 H LEU A 46 134.753 -0.763 -1.357 1.00 0.00 H new ATOM 0 HA LEU A 46 134.649 -0.184 1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 46 135.282 -2.383 0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 46 136.678 -1.700 -0.272 1.00 0.00 H new ATOM 0 HG LEU A 46 137.659 -1.037 1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 46 136.577 -1.755 4.027 1.00 0.00 H new ATOM 0 HD12 LEU A 46 135.544 -0.621 3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 46 135.182 -2.363 3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 46 138.109 -3.314 2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 46 136.743 -3.950 1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 46 138.170 -3.290 1.018 1.00 0.00 H new ATOM 714 N GLY A 47 137.064 1.242 -0.287 1.00 0.00 N ATOM 715 CA GLY A 47 138.112 2.291 -0.201 1.00 0.00 C ATOM 716 C GLY A 47 137.501 3.576 0.362 1.00 0.00 C ATOM 717 O GLY A 47 138.098 4.251 1.177 1.00 0.00 O ATOM 0 H GLY A 47 136.904 0.865 -1.221 1.00 0.00 H new ATOM 0 HA2 GLY A 47 138.928 1.953 0.438 1.00 0.00 H new ATOM 0 HA3 GLY A 47 138.536 2.479 -1.188 1.00 0.00 H new ATOM 721 N GLN A 48 136.309 3.920 -0.056 1.00 0.00 N ATOM 722 CA GLN A 48 135.663 5.157 0.472 1.00 0.00 C ATOM 723 C GLN A 48 135.500 5.042 1.993 1.00 0.00 C ATOM 724 O GLN A 48 135.791 5.960 2.731 1.00 0.00 O ATOM 725 CB GLN A 48 134.286 5.325 -0.181 1.00 0.00 C ATOM 726 CG GLN A 48 133.673 6.667 0.232 1.00 0.00 C ATOM 727 CD GLN A 48 134.493 7.808 -0.373 1.00 0.00 C ATOM 728 OE1 GLN A 48 134.956 7.689 -1.587 1.00 0.00 O flip ATOM 729 NE2 GLN A 48 134.714 8.818 0.266 1.00 0.00 N flip ATOM 0 H GLN A 48 135.758 3.399 -0.738 1.00 0.00 H new ATOM 0 HA GLN A 48 136.285 6.022 0.241 1.00 0.00 H new ATOM 0 HB2 GLN A 48 134.380 5.277 -1.266 1.00 0.00 H new ATOM 0 HB3 GLN A 48 133.630 4.508 0.119 1.00 0.00 H new ATOM 0 HG2 GLN A 48 132.639 6.727 -0.108 1.00 0.00 H new ATOM 0 HG3 GLN A 48 133.656 6.753 1.318 1.00 0.00 H new ATOM 0 HE21 GLN A 48 134.352 8.911 1.215 1.00 0.00 H new ATOM 0 HE22 GLN A 48 135.262 9.573 -0.147 1.00 0.00 H new ATOM 738 N PHE A 49 135.038 3.914 2.462 1.00 0.00 N ATOM 739 CA PHE A 49 134.852 3.721 3.931 1.00 0.00 C ATOM 740 C PHE A 49 136.209 3.888 4.624 1.00 0.00 C ATOM 741 O PHE A 49 136.313 4.470 5.685 1.00 0.00 O ATOM 742 CB PHE A 49 134.298 2.313 4.173 1.00 0.00 C ATOM 743 CG PHE A 49 134.077 2.076 5.650 1.00 0.00 C ATOM 744 CD1 PHE A 49 133.013 2.708 6.307 1.00 0.00 C ATOM 745 CD2 PHE A 49 134.915 1.206 6.359 1.00 0.00 C ATOM 746 CE1 PHE A 49 132.790 2.474 7.669 1.00 0.00 C ATOM 747 CE2 PHE A 49 134.694 0.974 7.722 1.00 0.00 C ATOM 748 CZ PHE A 49 133.631 1.607 8.377 1.00 0.00 C ATOM 0 H PHE A 49 134.779 3.112 1.887 1.00 0.00 H new ATOM 0 HA PHE A 49 134.153 4.454 4.334 1.00 0.00 H new ATOM 0 HB2 PHE A 49 133.359 2.188 3.634 1.00 0.00 H new ATOM 0 HB3 PHE A 49 134.992 1.570 3.780 1.00 0.00 H new ATOM 0 HD1 PHE A 49 132.364 3.377 5.762 1.00 0.00 H new ATOM 0 HD2 PHE A 49 135.733 0.714 5.854 1.00 0.00 H new ATOM 0 HE1 PHE A 49 131.969 2.962 8.174 1.00 0.00 H new ATOM 0 HE2 PHE A 49 135.344 0.306 8.268 1.00 0.00 H new ATOM 0 HZ PHE A 49 133.460 1.427 9.428 1.00 0.00 H new ATOM 758 N LEU A 50 137.238 3.378 4.024 1.00 0.00 N ATOM 759 CA LEU A 50 138.590 3.499 4.640 1.00 0.00 C ATOM 760 C LEU A 50 139.024 4.971 4.607 1.00 0.00 C ATOM 761 O LEU A 50 139.634 5.468 5.533 1.00 0.00 O ATOM 762 CB LEU A 50 139.591 2.644 3.855 1.00 0.00 C ATOM 763 CG LEU A 50 139.296 1.151 4.076 1.00 0.00 C ATOM 764 CD1 LEU A 50 140.153 0.318 3.113 1.00 0.00 C ATOM 765 CD2 LEU A 50 139.607 0.746 5.534 1.00 0.00 C ATOM 0 H LEU A 50 137.208 2.881 3.134 1.00 0.00 H new ATOM 0 HA LEU A 50 138.559 3.150 5.672 1.00 0.00 H new ATOM 0 HB2 LEU A 50 139.530 2.882 2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 50 140.607 2.873 4.175 1.00 0.00 H new ATOM 0 HG LEU A 50 138.239 0.967 3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 50 139.947 -0.741 3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 50 139.913 0.589 2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 50 141.208 0.514 3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 50 139.392 -0.314 5.671 1.00 0.00 H new ATOM 0 HD22 LEU A 50 140.659 0.933 5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 50 138.989 1.332 6.214 1.00 0.00 H new ATOM 777 N VAL A 51 138.729 5.662 3.543 1.00 0.00 N ATOM 778 CA VAL A 51 139.136 7.098 3.435 1.00 0.00 C ATOM 779 C VAL A 51 138.373 7.954 4.464 1.00 0.00 C ATOM 780 O VAL A 51 138.839 8.997 4.876 1.00 0.00 O ATOM 781 CB VAL A 51 138.856 7.599 2.012 1.00 0.00 C ATOM 782 CG1 VAL A 51 138.990 9.125 1.954 1.00 0.00 C ATOM 783 CG2 VAL A 51 139.868 6.969 1.053 1.00 0.00 C ATOM 0 H VAL A 51 138.221 5.296 2.737 1.00 0.00 H new ATOM 0 HA VAL A 51 140.202 7.185 3.645 1.00 0.00 H new ATOM 0 HB VAL A 51 137.842 7.319 1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 51 138.789 9.470 0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 51 138.275 9.579 2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 51 140.001 9.413 2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 51 139.676 7.320 0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 51 140.877 7.254 1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 51 139.773 5.884 1.085 1.00 0.00 H new ATOM 793 N LEU A 52 137.211 7.525 4.879 1.00 0.00 N ATOM 794 CA LEU A 52 136.430 8.327 5.877 1.00 0.00 C ATOM 795 C LEU A 52 136.828 7.905 7.293 1.00 0.00 C ATOM 796 O LEU A 52 136.131 8.189 8.249 1.00 0.00 O ATOM 797 CB LEU A 52 134.928 8.090 5.687 1.00 0.00 C ATOM 798 CG LEU A 52 134.480 8.565 4.299 1.00 0.00 C ATOM 799 CD1 LEU A 52 132.990 8.254 4.128 1.00 0.00 C ATOM 800 CD2 LEU A 52 134.710 10.083 4.154 1.00 0.00 C ATOM 0 H LEU A 52 136.767 6.659 4.574 1.00 0.00 H new ATOM 0 HA LEU A 52 136.648 9.384 5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 52 134.703 7.030 5.805 1.00 0.00 H new ATOM 0 HB3 LEU A 52 134.370 8.622 6.457 1.00 0.00 H new ATOM 0 HG LEU A 52 135.061 8.049 3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 52 132.659 8.587 3.144 1.00 0.00 H new ATOM 0 HD12 LEU A 52 132.830 7.180 4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 52 132.419 8.773 4.898 1.00 0.00 H new ATOM 0 HD21 LEU A 52 134.388 10.407 3.164 1.00 0.00 H new ATOM 0 HD22 LEU A 52 134.135 10.612 4.914 1.00 0.00 H new ATOM 0 HD23 LEU A 52 135.770 10.304 4.281 1.00 0.00 H new ATOM 812 N LYS A 53 137.933 7.232 7.445 1.00 0.00 N ATOM 813 CA LYS A 53 138.361 6.800 8.806 1.00 0.00 C ATOM 814 C LYS A 53 137.202 6.096 9.518 1.00 0.00 C ATOM 815 O LYS A 53 137.061 6.187 10.720 1.00 0.00 O ATOM 816 CB LYS A 53 138.783 8.022 9.624 1.00 0.00 C ATOM 817 CG LYS A 53 139.952 8.732 8.936 1.00 0.00 C ATOM 818 CD LYS A 53 140.364 9.950 9.765 1.00 0.00 C ATOM 819 CE LYS A 53 141.531 10.670 9.087 1.00 0.00 C ATOM 820 NZ LYS A 53 142.697 9.747 8.993 1.00 0.00 N ATOM 0 H LYS A 53 138.559 6.962 6.687 1.00 0.00 H new ATOM 0 HA LYS A 53 139.201 6.112 8.711 1.00 0.00 H new ATOM 0 HB2 LYS A 53 137.942 8.707 9.730 1.00 0.00 H new ATOM 0 HB3 LYS A 53 139.073 7.715 10.629 1.00 0.00 H new ATOM 0 HG2 LYS A 53 140.795 8.049 8.829 1.00 0.00 H new ATOM 0 HG3 LYS A 53 139.663 9.042 7.932 1.00 0.00 H new ATOM 0 HD2 LYS A 53 139.519 10.630 9.873 1.00 0.00 H new ATOM 0 HD3 LYS A 53 140.652 9.637 10.769 1.00 0.00 H new ATOM 0 HE2 LYS A 53 141.237 11.004 8.092 1.00 0.00 H new ATOM 0 HE3 LYS A 53 141.803 11.560 9.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 143.534 10.276 8.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 142.886 9.330 9.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 142.486 8.990 8.312 1.00 0.00 H new ATOM 834 N LYS A 54 136.372 5.392 8.783 1.00 0.00 N ATOM 835 CA LYS A 54 135.217 4.662 9.391 1.00 0.00 C ATOM 836 C LYS A 54 134.271 5.644 10.090 1.00 0.00 C ATOM 837 O LYS A 54 133.479 5.254 10.924 1.00 0.00 O ATOM 838 CB LYS A 54 135.733 3.643 10.414 1.00 0.00 C ATOM 839 CG LYS A 54 136.849 2.810 9.781 1.00 0.00 C ATOM 840 CD LYS A 54 137.196 1.632 10.698 1.00 0.00 C ATOM 841 CE LYS A 54 137.668 2.148 12.064 1.00 0.00 C ATOM 842 NZ LYS A 54 136.481 2.425 12.923 1.00 0.00 N ATOM 0 H LYS A 54 136.450 5.292 7.771 1.00 0.00 H new ATOM 0 HA LYS A 54 134.673 4.148 8.598 1.00 0.00 H new ATOM 0 HB2 LYS A 54 136.105 4.157 11.300 1.00 0.00 H new ATOM 0 HB3 LYS A 54 134.920 2.994 10.740 1.00 0.00 H new ATOM 0 HG2 LYS A 54 136.533 2.443 8.805 1.00 0.00 H new ATOM 0 HG3 LYS A 54 137.731 3.429 9.618 1.00 0.00 H new ATOM 0 HD2 LYS A 54 136.324 0.990 10.824 1.00 0.00 H new ATOM 0 HD3 LYS A 54 137.976 1.023 10.241 1.00 0.00 H new ATOM 0 HE2 LYS A 54 138.313 1.410 12.541 1.00 0.00 H new ATOM 0 HE3 LYS A 54 138.260 3.055 11.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 136.390 3.451 13.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 135.624 2.063 12.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 136.601 1.954 13.843 1.00 0.00 H new ATOM 856 N ASP A 55 134.311 6.901 9.748 1.00 0.00 N ATOM 857 CA ASP A 55 133.370 7.859 10.397 1.00 0.00 C ATOM 858 C ASP A 55 131.944 7.491 9.957 1.00 0.00 C ATOM 859 O ASP A 55 131.607 7.560 8.791 1.00 0.00 O ATOM 860 CB ASP A 55 133.711 9.277 9.940 1.00 0.00 C ATOM 861 CG ASP A 55 134.921 9.794 10.720 1.00 0.00 C ATOM 862 OD1 ASP A 55 134.998 9.524 11.907 1.00 0.00 O ATOM 863 OD2 ASP A 55 135.752 10.454 10.117 1.00 0.00 O ATOM 0 H ASP A 55 134.944 7.304 9.057 1.00 0.00 H new ATOM 0 HA ASP A 55 133.448 7.810 11.483 1.00 0.00 H new ATOM 0 HB2 ASP A 55 133.926 9.283 8.871 1.00 0.00 H new ATOM 0 HB3 ASP A 55 132.857 9.935 10.097 1.00 0.00 H new ATOM 868 N GLU A 56 131.119 7.065 10.879 1.00 0.00 N ATOM 869 CA GLU A 56 129.725 6.645 10.531 1.00 0.00 C ATOM 870 C GLU A 56 128.879 7.810 9.995 1.00 0.00 C ATOM 871 O GLU A 56 128.119 7.648 9.065 1.00 0.00 O ATOM 872 CB GLU A 56 129.061 6.075 11.789 1.00 0.00 C ATOM 873 CG GLU A 56 127.651 5.566 11.463 1.00 0.00 C ATOM 874 CD GLU A 56 127.018 4.988 12.730 1.00 0.00 C ATOM 875 OE1 GLU A 56 127.694 4.957 13.745 1.00 0.00 O ATOM 876 OE2 GLU A 56 125.870 4.581 12.663 1.00 0.00 O ATOM 0 H GLU A 56 131.353 6.989 11.869 1.00 0.00 H new ATOM 0 HA GLU A 56 129.784 5.897 9.741 1.00 0.00 H new ATOM 0 HB2 GLU A 56 129.665 5.261 12.190 1.00 0.00 H new ATOM 0 HB3 GLU A 56 129.008 6.843 12.560 1.00 0.00 H new ATOM 0 HG2 GLU A 56 127.038 6.380 11.075 1.00 0.00 H new ATOM 0 HG3 GLU A 56 127.698 4.804 10.685 1.00 0.00 H new ATOM 883 N ASP A 57 128.982 8.972 10.570 1.00 0.00 N ATOM 884 CA ASP A 57 128.150 10.112 10.080 1.00 0.00 C ATOM 885 C ASP A 57 128.628 10.543 8.696 1.00 0.00 C ATOM 886 O ASP A 57 127.842 10.845 7.821 1.00 0.00 O ATOM 887 CB ASP A 57 128.281 11.288 11.051 1.00 0.00 C ATOM 888 CG ASP A 57 127.574 10.951 12.365 1.00 0.00 C ATOM 889 OD1 ASP A 57 126.668 10.135 12.336 1.00 0.00 O ATOM 890 OD2 ASP A 57 127.955 11.512 13.380 1.00 0.00 O ATOM 0 H ASP A 57 129.600 9.186 11.353 1.00 0.00 H new ATOM 0 HA ASP A 57 127.108 9.798 10.019 1.00 0.00 H new ATOM 0 HB2 ASP A 57 129.333 11.503 11.237 1.00 0.00 H new ATOM 0 HB3 ASP A 57 127.845 12.185 10.612 1.00 0.00 H new ATOM 895 N LEU A 58 129.903 10.563 8.491 1.00 0.00 N ATOM 896 CA LEU A 58 130.417 10.963 7.156 1.00 0.00 C ATOM 897 C LEU A 58 130.082 9.869 6.141 1.00 0.00 C ATOM 898 O LEU A 58 129.698 10.143 5.022 1.00 0.00 O ATOM 899 CB LEU A 58 131.932 11.173 7.214 1.00 0.00 C ATOM 900 CG LEU A 58 132.279 12.276 8.226 1.00 0.00 C ATOM 901 CD1 LEU A 58 133.801 12.460 8.271 1.00 0.00 C ATOM 902 CD2 LEU A 58 131.616 13.604 7.816 1.00 0.00 C ATOM 0 H LEU A 58 130.613 10.322 9.182 1.00 0.00 H new ATOM 0 HA LEU A 58 129.948 11.899 6.854 1.00 0.00 H new ATOM 0 HB2 LEU A 58 132.424 10.243 7.497 1.00 0.00 H new ATOM 0 HB3 LEU A 58 132.306 11.445 6.227 1.00 0.00 H new ATOM 0 HG LEU A 58 131.910 11.985 9.210 1.00 0.00 H new ATOM 0 HD11 LEU A 58 134.052 13.242 8.988 1.00 0.00 H new ATOM 0 HD12 LEU A 58 134.272 11.525 8.574 1.00 0.00 H new ATOM 0 HD13 LEU A 58 134.163 12.744 7.283 1.00 0.00 H new ATOM 0 HD21 LEU A 58 131.870 14.377 8.542 1.00 0.00 H new ATOM 0 HD22 LEU A 58 131.974 13.900 6.830 1.00 0.00 H new ATOM 0 HD23 LEU A 58 130.534 13.476 7.786 1.00 0.00 H new ATOM 914 N PHE A 59 130.206 8.627 6.529 1.00 0.00 N ATOM 915 CA PHE A 59 129.873 7.520 5.590 1.00 0.00 C ATOM 916 C PHE A 59 128.376 7.555 5.261 1.00 0.00 C ATOM 917 O PHE A 59 127.980 7.497 4.115 1.00 0.00 O ATOM 918 CB PHE A 59 130.240 6.175 6.225 1.00 0.00 C ATOM 919 CG PHE A 59 129.768 5.045 5.335 1.00 0.00 C ATOM 920 CD1 PHE A 59 130.466 4.741 4.158 1.00 0.00 C ATOM 921 CD2 PHE A 59 128.634 4.301 5.688 1.00 0.00 C ATOM 922 CE1 PHE A 59 130.031 3.692 3.336 1.00 0.00 C ATOM 923 CE2 PHE A 59 128.199 3.252 4.865 1.00 0.00 C ATOM 924 CZ PHE A 59 128.897 2.949 3.690 1.00 0.00 C ATOM 0 H PHE A 59 130.523 8.334 7.453 1.00 0.00 H new ATOM 0 HA PHE A 59 130.442 7.644 4.669 1.00 0.00 H new ATOM 0 HB2 PHE A 59 131.319 6.112 6.368 1.00 0.00 H new ATOM 0 HB3 PHE A 59 129.782 6.090 7.211 1.00 0.00 H new ATOM 0 HD1 PHE A 59 131.339 5.315 3.884 1.00 0.00 H new ATOM 0 HD2 PHE A 59 128.095 4.536 6.594 1.00 0.00 H new ATOM 0 HE1 PHE A 59 130.570 3.457 2.430 1.00 0.00 H new ATOM 0 HE2 PHE A 59 127.326 2.678 5.138 1.00 0.00 H new ATOM 0 HZ PHE A 59 128.561 2.142 3.056 1.00 0.00 H new ATOM 934 N ARG A 60 127.542 7.627 6.268 1.00 0.00 N ATOM 935 CA ARG A 60 126.071 7.642 6.023 1.00 0.00 C ATOM 936 C ARG A 60 125.676 8.844 5.161 1.00 0.00 C ATOM 937 O ARG A 60 124.924 8.713 4.215 1.00 0.00 O ATOM 938 CB ARG A 60 125.334 7.705 7.364 1.00 0.00 C ATOM 939 CG ARG A 60 125.498 6.372 8.101 1.00 0.00 C ATOM 940 CD ARG A 60 124.763 6.433 9.441 1.00 0.00 C ATOM 941 NE ARG A 60 123.296 6.528 9.198 1.00 0.00 N ATOM 942 CZ ARG A 60 122.460 6.311 10.175 1.00 0.00 C ATOM 943 NH1 ARG A 60 122.908 6.030 11.368 1.00 0.00 N ATOM 944 NH2 ARG A 60 121.174 6.380 9.961 1.00 0.00 N ATOM 0 H ARG A 60 127.818 7.676 7.249 1.00 0.00 H new ATOM 0 HA ARG A 60 125.795 6.731 5.491 1.00 0.00 H new ATOM 0 HB2 ARG A 60 125.730 8.519 7.971 1.00 0.00 H new ATOM 0 HB3 ARG A 60 124.277 7.915 7.200 1.00 0.00 H new ATOM 0 HG2 ARG A 60 125.102 5.558 7.494 1.00 0.00 H new ATOM 0 HG3 ARG A 60 126.555 6.163 8.264 1.00 0.00 H new ATOM 0 HD2 ARG A 60 124.988 5.545 10.032 1.00 0.00 H new ATOM 0 HD3 ARG A 60 125.104 7.294 10.016 1.00 0.00 H new ATOM 0 HE ARG A 60 122.946 6.762 8.269 1.00 0.00 H new ATOM 0 HH11 ARG A 60 123.913 5.980 11.537 1.00 0.00 H new ATOM 0 HH12 ARG A 60 122.253 5.860 12.132 1.00 0.00 H new ATOM 0 HH21 ARG A 60 120.823 6.604 9.030 1.00 0.00 H new ATOM 0 HH22 ARG A 60 120.520 6.210 10.725 1.00 0.00 H new ATOM 958 N GLU A 61 126.167 10.015 5.469 1.00 0.00 N ATOM 959 CA GLU A 61 125.804 11.206 4.650 1.00 0.00 C ATOM 960 C GLU A 61 126.314 10.999 3.226 1.00 0.00 C ATOM 961 O GLU A 61 125.688 11.393 2.263 1.00 0.00 O ATOM 962 CB GLU A 61 126.462 12.457 5.241 1.00 0.00 C ATOM 963 CG GLU A 61 126.053 13.690 4.428 1.00 0.00 C ATOM 964 CD GLU A 61 126.712 14.936 5.022 1.00 0.00 C ATOM 965 OE1 GLU A 61 127.293 14.824 6.089 1.00 0.00 O ATOM 966 OE2 GLU A 61 126.624 15.982 4.400 1.00 0.00 O ATOM 0 H GLU A 61 126.800 10.197 6.248 1.00 0.00 H new ATOM 0 HA GLU A 61 124.721 11.333 4.647 1.00 0.00 H new ATOM 0 HB2 GLU A 61 126.162 12.580 6.282 1.00 0.00 H new ATOM 0 HB3 GLU A 61 127.546 12.347 5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 61 126.353 13.568 3.387 1.00 0.00 H new ATOM 0 HG3 GLU A 61 124.969 13.801 4.436 1.00 0.00 H new ATOM 973 N TRP A 62 127.451 10.384 3.089 1.00 0.00 N ATOM 974 CA TRP A 62 128.010 10.152 1.730 1.00 0.00 C ATOM 975 C TRP A 62 127.106 9.225 0.913 1.00 0.00 C ATOM 976 O TRP A 62 126.817 9.485 -0.235 1.00 0.00 O ATOM 977 CB TRP A 62 129.403 9.516 1.848 1.00 0.00 C ATOM 978 CG TRP A 62 129.863 9.060 0.494 1.00 0.00 C ATOM 979 CD1 TRP A 62 130.470 9.837 -0.433 1.00 0.00 C ATOM 980 CD2 TRP A 62 129.731 7.737 -0.103 1.00 0.00 C ATOM 981 NE1 TRP A 62 130.730 9.070 -1.557 1.00 0.00 N ATOM 982 CE2 TRP A 62 130.292 7.767 -1.401 1.00 0.00 C ATOM 983 CE3 TRP A 62 129.188 6.521 0.356 1.00 0.00 C ATOM 984 CZ2 TRP A 62 130.312 6.632 -2.217 1.00 0.00 C ATOM 985 CZ3 TRP A 62 129.208 5.378 -0.460 1.00 0.00 C ATOM 986 CH2 TRP A 62 129.769 5.434 -1.743 1.00 0.00 C ATOM 0 H TRP A 62 128.019 10.031 3.859 1.00 0.00 H new ATOM 0 HA TRP A 62 128.076 11.114 1.221 1.00 0.00 H new ATOM 0 HB2 TRP A 62 130.109 10.237 2.260 1.00 0.00 H new ATOM 0 HB3 TRP A 62 129.371 8.671 2.536 1.00 0.00 H new ATOM 0 HD1 TRP A 62 130.712 10.883 -0.316 1.00 0.00 H new ATOM 0 HE1 TRP A 62 131.188 9.423 -2.397 1.00 0.00 H new ATOM 0 HE3 TRP A 62 128.753 6.467 1.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 130.744 6.680 -3.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 128.789 4.451 -0.097 1.00 0.00 H new ATOM 0 HH2 TRP A 62 129.782 4.552 -2.366 1.00 0.00 H new ATOM 997 N LEU A 63 126.670 8.143 1.484 1.00 0.00 N ATOM 998 CA LEU A 63 125.808 7.206 0.716 1.00 0.00 C ATOM 999 C LEU A 63 124.429 7.829 0.473 1.00 0.00 C ATOM 1000 O LEU A 63 123.938 7.857 -0.638 1.00 0.00 O ATOM 1001 CB LEU A 63 125.668 5.895 1.500 1.00 0.00 C ATOM 1002 CG LEU A 63 124.785 4.900 0.732 1.00 0.00 C ATOM 1003 CD1 LEU A 63 125.406 4.582 -0.639 1.00 0.00 C ATOM 1004 CD2 LEU A 63 124.656 3.612 1.553 1.00 0.00 C ATOM 0 H LEU A 63 126.871 7.866 2.445 1.00 0.00 H new ATOM 0 HA LEU A 63 126.266 7.003 -0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 63 126.653 5.460 1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 63 125.234 6.095 2.480 1.00 0.00 H new ATOM 0 HG LEU A 63 123.800 5.340 0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 63 124.769 3.876 -1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 63 125.495 5.500 -1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 63 126.394 4.145 -0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 63 124.031 2.899 1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 63 125.644 3.181 1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 63 124.201 3.839 2.517 1.00 0.00 H new ATOM 1016 N LYS A 64 123.796 8.322 1.500 1.00 0.00 N ATOM 1017 CA LYS A 64 122.447 8.936 1.326 1.00 0.00 C ATOM 1018 C LYS A 64 122.531 10.119 0.362 1.00 0.00 C ATOM 1019 O LYS A 64 121.731 10.256 -0.543 1.00 0.00 O ATOM 1020 CB LYS A 64 121.911 9.410 2.682 1.00 0.00 C ATOM 1021 CG LYS A 64 120.515 10.020 2.501 1.00 0.00 C ATOM 1022 CD LYS A 64 119.960 10.439 3.861 1.00 0.00 C ATOM 1023 CE LYS A 64 118.554 11.018 3.683 1.00 0.00 C ATOM 1024 NZ LYS A 64 117.691 10.017 2.996 1.00 0.00 N ATOM 0 H LYS A 64 124.154 8.327 2.455 1.00 0.00 H new ATOM 0 HA LYS A 64 121.769 8.189 0.914 1.00 0.00 H new ATOM 0 HB2 LYS A 64 121.865 8.573 3.379 1.00 0.00 H new ATOM 0 HB3 LYS A 64 122.588 10.147 3.114 1.00 0.00 H new ATOM 0 HG2 LYS A 64 120.567 10.882 1.837 1.00 0.00 H new ATOM 0 HG3 LYS A 64 119.849 9.296 2.032 1.00 0.00 H new ATOM 0 HD2 LYS A 64 119.929 9.581 4.533 1.00 0.00 H new ATOM 0 HD3 LYS A 64 120.614 11.180 4.320 1.00 0.00 H new ATOM 0 HE2 LYS A 64 118.129 11.276 4.653 1.00 0.00 H new ATOM 0 HE3 LYS A 64 118.598 11.938 3.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 116.692 10.224 3.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 117.855 10.063 1.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 117.923 9.064 3.341 1.00 0.00 H new ATOM 1038 N ASP A 65 123.491 10.978 0.553 1.00 0.00 N ATOM 1039 CA ASP A 65 123.630 12.159 -0.344 1.00 0.00 C ATOM 1040 C ASP A 65 124.076 11.702 -1.734 1.00 0.00 C ATOM 1041 O ASP A 65 123.817 12.356 -2.726 1.00 0.00 O ATOM 1042 CB ASP A 65 124.668 13.123 0.236 1.00 0.00 C ATOM 1043 CG ASP A 65 124.622 14.446 -0.532 1.00 0.00 C ATOM 1044 OD1 ASP A 65 124.890 14.428 -1.721 1.00 0.00 O ATOM 1045 OD2 ASP A 65 124.319 15.455 0.084 1.00 0.00 O ATOM 0 H ASP A 65 124.189 10.914 1.294 1.00 0.00 H new ATOM 0 HA ASP A 65 122.668 12.666 -0.423 1.00 0.00 H new ATOM 0 HB2 ASP A 65 124.468 13.297 1.293 1.00 0.00 H new ATOM 0 HB3 ASP A 65 125.664 12.685 0.168 1.00 0.00 H new ATOM 1050 N THR A 66 124.774 10.601 -1.813 1.00 0.00 N ATOM 1051 CA THR A 66 125.272 10.120 -3.135 1.00 0.00 C ATOM 1052 C THR A 66 124.180 9.373 -3.913 1.00 0.00 C ATOM 1053 O THR A 66 124.173 9.414 -5.129 1.00 0.00 O ATOM 1054 CB THR A 66 126.478 9.196 -2.929 1.00 0.00 C ATOM 1055 OG1 THR A 66 127.558 9.951 -2.397 1.00 0.00 O ATOM 1056 CG2 THR A 66 126.899 8.586 -4.267 1.00 0.00 C ATOM 0 H THR A 66 125.021 10.012 -1.018 1.00 0.00 H new ATOM 0 HA THR A 66 125.566 10.992 -3.719 1.00 0.00 H new ATOM 0 HB THR A 66 126.208 8.397 -2.239 1.00 0.00 H new ATOM 0 HG1 THR A 66 127.325 10.267 -1.499 1.00 0.00 H new ATOM 0 HG21 THR A 66 127.756 7.930 -4.114 1.00 0.00 H new ATOM 0 HG22 THR A 66 126.071 8.010 -4.681 1.00 0.00 H new ATOM 0 HG23 THR A 66 127.170 9.382 -4.961 1.00 0.00 H new ATOM 1064 N CYS A 67 123.282 8.658 -3.264 1.00 0.00 N ATOM 1065 CA CYS A 67 122.241 7.886 -4.028 1.00 0.00 C ATOM 1066 C CYS A 67 120.833 8.123 -3.480 1.00 0.00 C ATOM 1067 O CYS A 67 119.860 8.022 -4.201 1.00 0.00 O ATOM 1068 CB CYS A 67 122.561 6.394 -3.932 1.00 0.00 C ATOM 1069 SG CYS A 67 122.468 5.866 -2.203 1.00 0.00 S ATOM 0 H CYS A 67 123.225 8.576 -2.249 1.00 0.00 H new ATOM 0 HA CYS A 67 122.263 8.229 -5.063 1.00 0.00 H new ATOM 0 HB2 CYS A 67 121.858 5.821 -4.537 1.00 0.00 H new ATOM 0 HB3 CYS A 67 123.557 6.199 -4.330 1.00 0.00 H new ATOM 0 HG CYS A 67 123.394 6.467 -1.515 1.00 0.00 H new ATOM 1075 N GLY A 68 120.707 8.421 -2.210 1.00 0.00 N ATOM 1076 CA GLY A 68 119.352 8.648 -1.611 1.00 0.00 C ATOM 1077 C GLY A 68 118.973 7.441 -0.750 1.00 0.00 C ATOM 1078 O GLY A 68 117.831 7.275 -0.369 1.00 0.00 O ATOM 0 H GLY A 68 121.486 8.517 -1.559 1.00 0.00 H new ATOM 0 HA2 GLY A 68 119.356 9.554 -1.006 1.00 0.00 H new ATOM 0 HA3 GLY A 68 118.613 8.794 -2.399 1.00 0.00 H new ATOM 1082 N ALA A 69 119.918 6.595 -0.433 1.00 0.00 N ATOM 1083 CA ALA A 69 119.595 5.406 0.408 1.00 0.00 C ATOM 1084 C ALA A 69 118.853 5.869 1.661 1.00 0.00 C ATOM 1085 O ALA A 69 119.001 6.993 2.098 1.00 0.00 O ATOM 1086 CB ALA A 69 120.887 4.691 0.813 1.00 0.00 C ATOM 0 H ALA A 69 120.894 6.675 -0.718 1.00 0.00 H new ATOM 0 HA ALA A 69 118.969 4.717 -0.159 1.00 0.00 H new ATOM 0 HB1 ALA A 69 120.646 3.823 1.427 1.00 0.00 H new ATOM 0 HB2 ALA A 69 121.419 4.366 -0.081 1.00 0.00 H new ATOM 0 HB3 ALA A 69 121.518 5.374 1.382 1.00 0.00 H new ATOM 1092 N ASN A 70 118.041 5.023 2.234 1.00 0.00 N ATOM 1093 CA ASN A 70 117.273 5.430 3.447 1.00 0.00 C ATOM 1094 C ASN A 70 118.069 5.105 4.712 1.00 0.00 C ATOM 1095 O ASN A 70 119.097 4.459 4.668 1.00 0.00 O ATOM 1096 CB ASN A 70 115.948 4.666 3.479 1.00 0.00 C ATOM 1097 CG ASN A 70 115.066 5.125 2.317 1.00 0.00 C ATOM 1098 OD1 ASN A 70 114.614 4.320 1.527 1.00 0.00 O ATOM 1099 ND2 ASN A 70 114.801 6.395 2.179 1.00 0.00 N ATOM 0 H ASN A 70 117.876 4.068 1.916 1.00 0.00 H new ATOM 0 HA ASN A 70 117.089 6.504 3.409 1.00 0.00 H new ATOM 0 HB2 ASN A 70 116.132 3.594 3.408 1.00 0.00 H new ATOM 0 HB3 ASN A 70 115.439 4.840 4.427 1.00 0.00 H new ATOM 0 HD21 ASN A 70 114.214 6.713 1.408 1.00 0.00 H new ATOM 0 HD22 ASN A 70 115.181 7.070 2.843 1.00 0.00 H new ATOM 1106 N ALA A 71 117.595 5.562 5.836 1.00 0.00 N ATOM 1107 CA ALA A 71 118.305 5.306 7.120 1.00 0.00 C ATOM 1108 C ALA A 71 118.413 3.801 7.372 1.00 0.00 C ATOM 1109 O ALA A 71 119.381 3.328 7.930 1.00 0.00 O ATOM 1110 CB ALA A 71 117.525 5.949 8.266 1.00 0.00 C ATOM 0 H ALA A 71 116.737 6.108 5.921 1.00 0.00 H new ATOM 0 HA ALA A 71 119.306 5.733 7.063 1.00 0.00 H new ATOM 0 HB1 ALA A 71 118.042 5.763 9.207 1.00 0.00 H new ATOM 0 HB2 ALA A 71 117.451 7.023 8.098 1.00 0.00 H new ATOM 0 HB3 ALA A 71 116.524 5.519 8.311 1.00 0.00 H new ATOM 1116 N LYS A 72 117.427 3.042 6.982 1.00 0.00 N ATOM 1117 CA LYS A 72 117.498 1.575 7.229 1.00 0.00 C ATOM 1118 C LYS A 72 118.563 0.949 6.326 1.00 0.00 C ATOM 1119 O LYS A 72 119.321 0.093 6.742 1.00 0.00 O ATOM 1120 CB LYS A 72 116.128 0.951 6.943 1.00 0.00 C ATOM 1121 CG LYS A 72 116.111 -0.503 7.419 1.00 0.00 C ATOM 1122 CD LYS A 72 114.734 -1.113 7.142 1.00 0.00 C ATOM 1123 CE LYS A 72 114.712 -2.573 7.602 1.00 0.00 C ATOM 1124 NZ LYS A 72 114.599 -2.628 9.088 1.00 0.00 N ATOM 0 H LYS A 72 116.585 3.369 6.509 1.00 0.00 H new ATOM 0 HA LYS A 72 117.769 1.389 8.268 1.00 0.00 H new ATOM 0 HB2 LYS A 72 115.347 1.518 7.449 1.00 0.00 H new ATOM 0 HB3 LYS A 72 115.913 0.996 5.875 1.00 0.00 H new ATOM 0 HG2 LYS A 72 116.884 -1.074 6.905 1.00 0.00 H new ATOM 0 HG3 LYS A 72 116.334 -0.551 8.485 1.00 0.00 H new ATOM 0 HD2 LYS A 72 113.963 -0.546 7.664 1.00 0.00 H new ATOM 0 HD3 LYS A 72 114.507 -1.054 6.077 1.00 0.00 H new ATOM 0 HE2 LYS A 72 113.873 -3.096 7.144 1.00 0.00 H new ATOM 0 HE3 LYS A 72 115.620 -3.081 7.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 114.482 -3.616 9.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 115.461 -2.234 9.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 113.775 -2.072 9.394 1.00 0.00 H new ATOM 1138 N GLN A 73 118.623 1.366 5.092 1.00 0.00 N ATOM 1139 CA GLN A 73 119.628 0.795 4.157 1.00 0.00 C ATOM 1140 C GLN A 73 121.039 1.200 4.575 1.00 0.00 C ATOM 1141 O GLN A 73 121.966 0.420 4.498 1.00 0.00 O ATOM 1142 CB GLN A 73 119.350 1.293 2.736 1.00 0.00 C ATOM 1143 CG GLN A 73 118.063 0.648 2.215 1.00 0.00 C ATOM 1144 CD GLN A 73 117.646 1.318 0.904 1.00 0.00 C ATOM 1145 OE1 GLN A 73 117.825 2.507 0.732 1.00 0.00 O ATOM 1146 NE2 GLN A 73 117.093 0.599 -0.035 1.00 0.00 N ATOM 0 H GLN A 73 118.016 2.081 4.691 1.00 0.00 H new ATOM 0 HA GLN A 73 119.553 -0.292 4.185 1.00 0.00 H new ATOM 0 HB2 GLN A 73 119.254 2.379 2.731 1.00 0.00 H new ATOM 0 HB3 GLN A 73 120.185 1.044 2.082 1.00 0.00 H new ATOM 0 HG2 GLN A 73 118.218 -0.419 2.056 1.00 0.00 H new ATOM 0 HG3 GLN A 73 117.269 0.748 2.955 1.00 0.00 H new ATOM 0 HE21 GLN A 73 116.943 -0.400 0.109 1.00 0.00 H new ATOM 0 HE22 GLN A 73 116.811 1.036 -0.913 1.00 0.00 H new ATOM 1155 N SER A 74 121.218 2.420 5.003 1.00 0.00 N ATOM 1156 CA SER A 74 122.573 2.874 5.407 1.00 0.00 C ATOM 1157 C SER A 74 123.062 2.095 6.632 1.00 0.00 C ATOM 1158 O SER A 74 124.220 1.741 6.722 1.00 0.00 O ATOM 1159 CB SER A 74 122.518 4.366 5.736 1.00 0.00 C ATOM 1160 OG SER A 74 122.161 5.089 4.566 1.00 0.00 O ATOM 0 H SER A 74 120.482 3.121 5.089 1.00 0.00 H new ATOM 0 HA SER A 74 123.268 2.695 4.586 1.00 0.00 H new ATOM 0 HB2 SER A 74 121.791 4.550 6.527 1.00 0.00 H new ATOM 0 HB3 SER A 74 123.485 4.705 6.107 1.00 0.00 H new ATOM 0 HG SER A 74 121.193 5.025 4.424 1.00 0.00 H new ATOM 1166 N ARG A 75 122.203 1.828 7.586 1.00 0.00 N ATOM 1167 CA ARG A 75 122.652 1.080 8.795 1.00 0.00 C ATOM 1168 C ARG A 75 123.180 -0.297 8.397 1.00 0.00 C ATOM 1169 O ARG A 75 124.123 -0.792 8.982 1.00 0.00 O ATOM 1170 CB ARG A 75 121.493 0.933 9.783 1.00 0.00 C ATOM 1171 CG ARG A 75 121.197 2.292 10.423 1.00 0.00 C ATOM 1172 CD ARG A 75 120.039 2.155 11.413 1.00 0.00 C ATOM 1173 NE ARG A 75 118.810 1.737 10.683 1.00 0.00 N ATOM 1174 CZ ARG A 75 117.780 1.284 11.345 1.00 0.00 C ATOM 1175 NH1 ARG A 75 117.825 1.206 12.646 1.00 0.00 N ATOM 1176 NH2 ARG A 75 116.705 0.915 10.706 1.00 0.00 N ATOM 0 H ARG A 75 121.218 2.095 7.578 1.00 0.00 H new ATOM 0 HA ARG A 75 123.456 1.639 9.275 1.00 0.00 H new ATOM 0 HB2 ARG A 75 120.607 0.560 9.269 1.00 0.00 H new ATOM 0 HB3 ARG A 75 121.746 0.203 10.552 1.00 0.00 H new ATOM 0 HG2 ARG A 75 122.084 2.664 10.936 1.00 0.00 H new ATOM 0 HG3 ARG A 75 120.945 3.020 9.652 1.00 0.00 H new ATOM 0 HD2 ARG A 75 120.287 1.421 12.180 1.00 0.00 H new ATOM 0 HD3 ARG A 75 119.868 3.103 11.923 1.00 0.00 H new ATOM 0 HE ARG A 75 118.773 1.805 9.666 1.00 0.00 H new ATOM 0 HH11 ARG A 75 118.665 1.499 13.146 1.00 0.00 H new ATOM 0 HH12 ARG A 75 117.021 0.852 13.164 1.00 0.00 H new ATOM 0 HH21 ARG A 75 116.669 0.980 9.689 1.00 0.00 H new ATOM 0 HH22 ARG A 75 115.900 0.561 11.223 1.00 0.00 H new ATOM 1190 N ASP A 76 122.582 -0.943 7.431 1.00 0.00 N ATOM 1191 CA ASP A 76 123.051 -2.300 7.036 1.00 0.00 C ATOM 1192 C ASP A 76 124.442 -2.237 6.400 1.00 0.00 C ATOM 1193 O ASP A 76 125.275 -3.089 6.642 1.00 0.00 O ATOM 1194 CB ASP A 76 122.065 -2.906 6.034 1.00 0.00 C ATOM 1195 CG ASP A 76 120.753 -3.242 6.745 1.00 0.00 C ATOM 1196 OD1 ASP A 76 120.744 -3.231 7.965 1.00 0.00 O ATOM 1197 OD2 ASP A 76 119.783 -3.514 6.058 1.00 0.00 O ATOM 0 H ASP A 76 121.788 -0.587 6.899 1.00 0.00 H new ATOM 0 HA ASP A 76 123.107 -2.919 7.931 1.00 0.00 H new ATOM 0 HB2 ASP A 76 121.880 -2.204 5.220 1.00 0.00 H new ATOM 0 HB3 ASP A 76 122.490 -3.806 5.589 1.00 0.00 H new ATOM 1202 N CYS A 77 124.708 -1.253 5.589 1.00 0.00 N ATOM 1203 CA CYS A 77 126.051 -1.168 4.947 1.00 0.00 C ATOM 1204 C CYS A 77 127.132 -0.842 5.984 1.00 0.00 C ATOM 1205 O CYS A 77 128.228 -1.362 5.919 1.00 0.00 O ATOM 1206 CB CYS A 77 126.032 -0.076 3.876 1.00 0.00 C ATOM 1207 SG CYS A 77 125.030 -0.625 2.473 1.00 0.00 S ATOM 0 H CYS A 77 124.058 -0.506 5.343 1.00 0.00 H new ATOM 0 HA CYS A 77 126.282 -2.133 4.496 1.00 0.00 H new ATOM 0 HB2 CYS A 77 125.624 0.846 4.289 1.00 0.00 H new ATOM 0 HB3 CYS A 77 127.048 0.144 3.547 1.00 0.00 H new ATOM 0 HG CYS A 77 124.944 -1.922 2.482 1.00 0.00 H new ATOM 1213 N PHE A 78 126.864 0.029 6.923 1.00 0.00 N ATOM 1214 CA PHE A 78 127.925 0.375 7.913 1.00 0.00 C ATOM 1215 C PHE A 78 128.403 -0.885 8.632 1.00 0.00 C ATOM 1216 O PHE A 78 129.564 -1.244 8.579 1.00 0.00 O ATOM 1217 CB PHE A 78 127.356 1.352 8.942 1.00 0.00 C ATOM 1218 CG PHE A 78 128.413 1.679 9.968 1.00 0.00 C ATOM 1219 CD1 PHE A 78 128.552 0.877 11.107 1.00 0.00 C ATOM 1220 CD2 PHE A 78 129.259 2.778 9.779 1.00 0.00 C ATOM 1221 CE1 PHE A 78 129.534 1.175 12.059 1.00 0.00 C ATOM 1222 CE2 PHE A 78 130.243 3.076 10.730 1.00 0.00 C ATOM 1223 CZ PHE A 78 130.380 2.275 11.871 1.00 0.00 C ATOM 0 H PHE A 78 125.972 0.508 7.046 1.00 0.00 H new ATOM 0 HA PHE A 78 128.765 0.831 7.389 1.00 0.00 H new ATOM 0 HB2 PHE A 78 127.021 2.263 8.447 1.00 0.00 H new ATOM 0 HB3 PHE A 78 126.484 0.916 9.430 1.00 0.00 H new ATOM 0 HD1 PHE A 78 127.901 0.027 11.251 1.00 0.00 H new ATOM 0 HD2 PHE A 78 129.153 3.396 8.900 1.00 0.00 H new ATOM 0 HE1 PHE A 78 129.639 0.557 12.938 1.00 0.00 H new ATOM 0 HE2 PHE A 78 130.896 3.923 10.584 1.00 0.00 H new ATOM 0 HZ PHE A 78 131.138 2.506 12.605 1.00 0.00 H new ATOM 1233 N GLY A 79 127.519 -1.551 9.316 1.00 0.00 N ATOM 1234 CA GLY A 79 127.918 -2.781 10.056 1.00 0.00 C ATOM 1235 C GLY A 79 128.470 -3.822 9.081 1.00 0.00 C ATOM 1236 O GLY A 79 129.319 -4.619 9.420 1.00 0.00 O ATOM 0 H GLY A 79 126.534 -1.297 9.396 1.00 0.00 H new ATOM 0 HA2 GLY A 79 128.671 -2.537 10.805 1.00 0.00 H new ATOM 0 HA3 GLY A 79 127.059 -3.189 10.589 1.00 0.00 H new ATOM 1240 N CYS A 80 127.992 -3.822 7.872 1.00 0.00 N ATOM 1241 CA CYS A 80 128.493 -4.816 6.882 1.00 0.00 C ATOM 1242 C CYS A 80 129.943 -4.496 6.515 1.00 0.00 C ATOM 1243 O CYS A 80 130.809 -5.346 6.581 1.00 0.00 O ATOM 1244 CB CYS A 80 127.630 -4.758 5.622 1.00 0.00 C ATOM 1245 SG CYS A 80 128.143 -6.067 4.481 1.00 0.00 S ATOM 0 H CYS A 80 127.279 -3.181 7.525 1.00 0.00 H new ATOM 0 HA CYS A 80 128.442 -5.814 7.318 1.00 0.00 H new ATOM 0 HB2 CYS A 80 126.578 -4.879 5.882 1.00 0.00 H new ATOM 0 HB3 CYS A 80 127.730 -3.784 5.144 1.00 0.00 H new ATOM 0 HG CYS A 80 128.126 -5.612 3.263 1.00 0.00 H new ATOM 1251 N LEU A 81 130.224 -3.278 6.143 1.00 0.00 N ATOM 1252 CA LEU A 81 131.631 -2.932 5.796 1.00 0.00 C ATOM 1253 C LEU A 81 132.478 -2.909 7.072 1.00 0.00 C ATOM 1254 O LEU A 81 133.609 -3.355 7.083 1.00 0.00 O ATOM 1255 CB LEU A 81 131.663 -1.552 5.134 1.00 0.00 C ATOM 1256 CG LEU A 81 130.814 -1.571 3.856 1.00 0.00 C ATOM 1257 CD1 LEU A 81 130.776 -0.162 3.257 1.00 0.00 C ATOM 1258 CD2 LEU A 81 131.417 -2.555 2.833 1.00 0.00 C ATOM 0 H LEU A 81 129.550 -2.516 6.065 1.00 0.00 H new ATOM 0 HA LEU A 81 132.033 -3.675 5.108 1.00 0.00 H new ATOM 0 HB2 LEU A 81 131.283 -0.798 5.824 1.00 0.00 H new ATOM 0 HB3 LEU A 81 132.690 -1.276 4.896 1.00 0.00 H new ATOM 0 HG LEU A 81 129.802 -1.895 4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 81 130.174 -0.169 2.348 1.00 0.00 H new ATOM 0 HD12 LEU A 81 130.337 0.528 3.978 1.00 0.00 H new ATOM 0 HD13 LEU A 81 131.790 0.159 3.018 1.00 0.00 H new ATOM 0 HD21 LEU A 81 130.807 -2.561 1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 81 132.431 -2.244 2.583 1.00 0.00 H new ATOM 0 HD23 LEU A 81 131.440 -3.557 3.262 1.00 0.00 H new ATOM 1270 N ARG A 82 131.948 -2.384 8.145 1.00 0.00 N ATOM 1271 CA ARG A 82 132.732 -2.327 9.412 1.00 0.00 C ATOM 1272 C ARG A 82 133.085 -3.744 9.867 1.00 0.00 C ATOM 1273 O ARG A 82 134.182 -4.005 10.321 1.00 0.00 O ATOM 1274 CB ARG A 82 131.902 -1.622 10.495 1.00 0.00 C ATOM 1275 CG ARG A 82 132.743 -1.416 11.785 1.00 0.00 C ATOM 1276 CD ARG A 82 132.362 -2.458 12.845 1.00 0.00 C ATOM 1277 NE ARG A 82 130.948 -2.243 13.263 1.00 0.00 N ATOM 1278 CZ ARG A 82 130.314 -3.175 13.920 1.00 0.00 C ATOM 1279 NH1 ARG A 82 130.918 -4.293 14.212 1.00 0.00 N ATOM 1280 NH2 ARG A 82 129.074 -2.988 14.285 1.00 0.00 N ATOM 0 H ARG A 82 131.007 -1.993 8.198 1.00 0.00 H new ATOM 0 HA ARG A 82 133.653 -1.769 9.243 1.00 0.00 H new ATOM 0 HB2 ARG A 82 131.555 -0.658 10.124 1.00 0.00 H new ATOM 0 HB3 ARG A 82 131.016 -2.214 10.724 1.00 0.00 H new ATOM 0 HG2 ARG A 82 133.805 -1.497 11.551 1.00 0.00 H new ATOM 0 HG3 ARG A 82 132.579 -0.412 12.177 1.00 0.00 H new ATOM 0 HD2 ARG A 82 132.485 -3.464 12.443 1.00 0.00 H new ATOM 0 HD3 ARG A 82 133.024 -2.376 13.707 1.00 0.00 H new ATOM 0 HE ARG A 82 130.476 -1.368 13.036 1.00 0.00 H new ATOM 0 HH11 ARG A 82 131.886 -4.439 13.927 1.00 0.00 H new ATOM 0 HH12 ARG A 82 130.422 -5.021 14.726 1.00 0.00 H new ATOM 0 HH21 ARG A 82 128.601 -2.113 14.056 1.00 0.00 H new ATOM 0 HH22 ARG A 82 128.578 -3.717 14.799 1.00 0.00 H new ATOM 1294 N GLU A 83 132.168 -4.663 9.746 1.00 0.00 N ATOM 1295 CA GLU A 83 132.452 -6.064 10.166 1.00 0.00 C ATOM 1296 C GLU A 83 133.455 -6.719 9.209 1.00 0.00 C ATOM 1297 O GLU A 83 134.322 -7.461 9.631 1.00 0.00 O ATOM 1298 CB GLU A 83 131.148 -6.873 10.196 1.00 0.00 C ATOM 1299 CG GLU A 83 130.320 -6.459 11.417 1.00 0.00 C ATOM 1300 CD GLU A 83 128.942 -7.120 11.352 1.00 0.00 C ATOM 1301 OE1 GLU A 83 128.707 -7.868 10.418 1.00 0.00 O ATOM 1302 OE2 GLU A 83 128.141 -6.864 12.238 1.00 0.00 O ATOM 0 H GLU A 83 131.232 -4.504 9.373 1.00 0.00 H new ATOM 0 HA GLU A 83 132.887 -6.048 11.165 1.00 0.00 H new ATOM 0 HB2 GLU A 83 130.579 -6.701 9.282 1.00 0.00 H new ATOM 0 HB3 GLU A 83 131.370 -7.939 10.238 1.00 0.00 H new ATOM 0 HG2 GLU A 83 130.832 -6.753 12.333 1.00 0.00 H new ATOM 0 HG3 GLU A 83 130.213 -5.375 11.446 1.00 0.00 H new ATOM 1309 N TRP A 84 133.373 -6.449 7.930 1.00 0.00 N ATOM 1310 CA TRP A 84 134.347 -7.056 6.979 1.00 0.00 C ATOM 1311 C TRP A 84 135.759 -6.568 7.324 1.00 0.00 C ATOM 1312 O TRP A 84 136.708 -7.327 7.322 1.00 0.00 O ATOM 1313 CB TRP A 84 133.997 -6.643 5.547 1.00 0.00 C ATOM 1314 CG TRP A 84 134.875 -7.387 4.593 1.00 0.00 C ATOM 1315 CD1 TRP A 84 134.576 -8.588 4.045 1.00 0.00 C ATOM 1316 CD2 TRP A 84 136.184 -7.014 4.073 1.00 0.00 C ATOM 1317 NE1 TRP A 84 135.617 -8.975 3.221 1.00 0.00 N ATOM 1318 CE2 TRP A 84 136.633 -8.039 3.206 1.00 0.00 C ATOM 1319 CE3 TRP A 84 137.018 -5.899 4.269 1.00 0.00 C ATOM 1320 CZ2 TRP A 84 137.864 -7.961 2.558 1.00 0.00 C ATOM 1321 CZ3 TRP A 84 138.259 -5.818 3.616 1.00 0.00 C ATOM 1322 CH2 TRP A 84 138.681 -6.848 2.765 1.00 0.00 C ATOM 0 H TRP A 84 132.676 -5.837 7.507 1.00 0.00 H new ATOM 0 HA TRP A 84 134.305 -8.142 7.058 1.00 0.00 H new ATOM 0 HB2 TRP A 84 132.949 -6.859 5.339 1.00 0.00 H new ATOM 0 HB3 TRP A 84 134.132 -5.569 5.422 1.00 0.00 H new ATOM 0 HD1 TRP A 84 133.672 -9.152 4.222 1.00 0.00 H new ATOM 0 HE1 TRP A 84 135.633 -9.845 2.689 1.00 0.00 H new ATOM 0 HE3 TRP A 84 136.703 -5.101 4.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 138.184 -8.756 1.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 138.892 -4.957 3.771 1.00 0.00 H new ATOM 0 HH2 TRP A 84 139.638 -6.781 2.269 1.00 0.00 H new ATOM 1333 N CYS A 85 135.906 -5.297 7.597 1.00 0.00 N ATOM 1334 CA CYS A 85 137.259 -4.753 7.919 1.00 0.00 C ATOM 1335 C CYS A 85 137.818 -5.435 9.168 1.00 0.00 C ATOM 1336 O CYS A 85 138.987 -5.751 9.244 1.00 0.00 O ATOM 1337 CB CYS A 85 137.151 -3.248 8.175 1.00 0.00 C ATOM 1338 SG CYS A 85 136.812 -2.391 6.617 1.00 0.00 S ATOM 0 H CYS A 85 135.149 -4.614 7.611 1.00 0.00 H new ATOM 0 HA CYS A 85 137.927 -4.942 7.079 1.00 0.00 H new ATOM 0 HB2 CYS A 85 136.356 -3.047 8.893 1.00 0.00 H new ATOM 0 HB3 CYS A 85 138.077 -2.876 8.613 1.00 0.00 H new ATOM 0 HG CYS A 85 135.544 -2.476 6.342 1.00 0.00 H new ATOM 1344 N ASP A 86 136.992 -5.668 10.146 1.00 0.00 N ATOM 1345 CA ASP A 86 137.477 -6.330 11.386 1.00 0.00 C ATOM 1346 C ASP A 86 138.034 -7.713 11.048 1.00 0.00 C ATOM 1347 O ASP A 86 138.893 -8.230 11.734 1.00 0.00 O ATOM 1348 CB ASP A 86 136.319 -6.471 12.378 1.00 0.00 C ATOM 1349 CG ASP A 86 135.941 -5.091 12.918 1.00 0.00 C ATOM 1350 OD1 ASP A 86 136.799 -4.224 12.923 1.00 0.00 O ATOM 1351 OD2 ASP A 86 134.800 -4.924 13.317 1.00 0.00 O ATOM 0 H ASP A 86 136.001 -5.428 10.141 1.00 0.00 H new ATOM 0 HA ASP A 86 138.265 -5.724 11.833 1.00 0.00 H new ATOM 0 HB2 ASP A 86 135.460 -6.930 11.888 1.00 0.00 H new ATOM 0 HB3 ASP A 86 136.607 -7.128 13.199 1.00 0.00 H new ATOM 1356 N ALA A 87 137.539 -8.326 10.005 1.00 0.00 N ATOM 1357 CA ALA A 87 138.028 -9.690 9.636 1.00 0.00 C ATOM 1358 C ALA A 87 139.153 -9.616 8.599 1.00 0.00 C ATOM 1359 O ALA A 87 140.038 -10.448 8.585 1.00 0.00 O ATOM 1360 CB ALA A 87 136.868 -10.496 9.046 1.00 0.00 C ATOM 0 H ALA A 87 136.819 -7.943 9.393 1.00 0.00 H new ATOM 0 HA ALA A 87 138.415 -10.169 10.536 1.00 0.00 H new ATOM 0 HB1 ALA A 87 137.218 -11.492 8.775 1.00 0.00 H new ATOM 0 HB2 ALA A 87 136.071 -10.580 9.784 1.00 0.00 H new ATOM 0 HB3 ALA A 87 136.488 -9.991 8.158 1.00 0.00 H new ATOM 1366 N PHE A 88 139.088 -8.675 7.685 1.00 0.00 N ATOM 1367 CA PHE A 88 140.118 -8.603 6.590 1.00 0.00 C ATOM 1368 C PHE A 88 141.044 -7.380 6.693 1.00 0.00 C ATOM 1369 O PHE A 88 142.019 -7.304 5.972 1.00 0.00 O ATOM 1370 CB PHE A 88 139.388 -8.531 5.254 1.00 0.00 C ATOM 1371 CG PHE A 88 138.648 -9.822 4.998 1.00 0.00 C ATOM 1372 CD1 PHE A 88 139.330 -10.925 4.471 1.00 0.00 C ATOM 1373 CD2 PHE A 88 137.278 -9.913 5.277 1.00 0.00 C ATOM 1374 CE1 PHE A 88 138.643 -12.119 4.225 1.00 0.00 C ATOM 1375 CE2 PHE A 88 136.590 -11.105 5.027 1.00 0.00 C ATOM 1376 CZ PHE A 88 137.273 -12.208 4.501 1.00 0.00 C ATOM 0 H PHE A 88 138.368 -7.953 7.648 1.00 0.00 H new ATOM 0 HA PHE A 88 140.744 -9.490 6.682 1.00 0.00 H new ATOM 0 HB2 PHE A 88 138.688 -7.696 5.258 1.00 0.00 H new ATOM 0 HB3 PHE A 88 140.101 -8.346 4.451 1.00 0.00 H new ATOM 0 HD1 PHE A 88 140.386 -10.855 4.254 1.00 0.00 H new ATOM 0 HD2 PHE A 88 136.753 -9.062 5.685 1.00 0.00 H new ATOM 0 HE1 PHE A 88 139.169 -12.972 3.822 1.00 0.00 H new ATOM 0 HE2 PHE A 88 135.533 -11.174 5.239 1.00 0.00 H new ATOM 0 HZ PHE A 88 136.743 -13.129 4.308 1.00 0.00 H new ATOM 1386 N LEU A 89 140.780 -6.422 7.552 1.00 0.00 N ATOM 1387 CA LEU A 89 141.694 -5.228 7.639 1.00 0.00 C ATOM 1388 C LEU A 89 142.649 -5.406 8.820 1.00 0.00 C ATOM 1389 O LEU A 89 142.214 -5.920 9.837 1.00 0.00 O ATOM 1390 CB LEU A 89 140.863 -3.949 7.839 1.00 0.00 C ATOM 1391 CG LEU A 89 141.751 -2.698 7.653 1.00 0.00 C ATOM 1392 CD1 LEU A 89 141.941 -2.377 6.161 1.00 0.00 C ATOM 1393 CD2 LEU A 89 141.090 -1.492 8.330 1.00 0.00 C ATOM 1394 OXT LEU A 89 143.802 -5.026 8.687 1.00 0.00 O ATOM 0 H LEU A 89 139.984 -6.411 8.190 1.00 0.00 H new ATOM 0 HA LEU A 89 142.266 -5.143 6.715 1.00 0.00 H new ATOM 0 HB2 LEU A 89 140.039 -3.928 7.126 1.00 0.00 H new ATOM 0 HB3 LEU A 89 140.422 -3.946 8.836 1.00 0.00 H new ATOM 0 HG LEU A 89 142.723 -2.903 8.102 1.00 0.00 H new ATOM 0 HD11 LEU A 89 142.569 -1.493 6.056 1.00 0.00 H new ATOM 0 HD12 LEU A 89 142.418 -3.222 5.665 1.00 0.00 H new ATOM 0 HD13 LEU A 89 140.970 -2.188 5.703 1.00 0.00 H new ATOM 0 HD21 LEU A 89 141.718 -0.611 8.198 1.00 0.00 H new ATOM 0 HD22 LEU A 89 140.113 -1.312 7.880 1.00 0.00 H new ATOM 0 HD23 LEU A 89 140.968 -1.694 9.394 1.00 0.00 H new TER 1406 LEU A 89 ATOM 1407 N MET B 1 166.379 -3.678 -5.743 1.00 0.00 N ATOM 1408 CA MET B 1 165.959 -4.521 -4.588 1.00 0.00 C ATOM 1409 C MET B 1 166.426 -3.866 -3.287 1.00 0.00 C ATOM 1410 O MET B 1 165.892 -2.860 -2.862 1.00 0.00 O ATOM 1411 CB MET B 1 166.586 -5.912 -4.715 1.00 0.00 C ATOM 1412 CG MET B 1 165.935 -6.661 -5.878 1.00 0.00 C ATOM 1413 SD MET B 1 166.651 -8.321 -6.008 1.00 0.00 S ATOM 1414 CE MET B 1 168.335 -7.824 -6.447 1.00 0.00 C ATOM 0 H1 MET B 1 165.846 -3.960 -6.590 1.00 0.00 H new ATOM 0 H2 MET B 1 166.188 -2.678 -5.530 1.00 0.00 H new ATOM 0 H3 MET B 1 167.396 -3.807 -5.915 1.00 0.00 H new ATOM 0 HA MET B 1 164.873 -4.614 -4.580 1.00 0.00 H new ATOM 0 HB2 MET B 1 167.660 -5.825 -4.880 1.00 0.00 H new ATOM 0 HB3 MET B 1 166.451 -6.470 -3.788 1.00 0.00 H new ATOM 0 HG2 MET B 1 164.858 -6.729 -5.723 1.00 0.00 H new ATOM 0 HG3 MET B 1 166.089 -6.114 -6.808 1.00 0.00 H new ATOM 0 HE1 MET B 1 168.804 -8.610 -7.039 1.00 0.00 H new ATOM 0 HE2 MET B 1 168.303 -6.903 -7.028 1.00 0.00 H new ATOM 0 HE3 MET B 1 168.914 -7.660 -5.538 1.00 0.00 H new ATOM 1426 N THR B 2 167.421 -4.426 -2.653 1.00 0.00 N ATOM 1427 CA THR B 2 167.925 -3.836 -1.378 1.00 0.00 C ATOM 1428 C THR B 2 166.740 -3.496 -0.467 1.00 0.00 C ATOM 1429 O THR B 2 166.829 -2.642 0.393 1.00 0.00 O ATOM 1430 CB THR B 2 168.726 -2.562 -1.693 1.00 0.00 C ATOM 1431 OG1 THR B 2 169.472 -2.761 -2.885 1.00 0.00 O ATOM 1432 CG2 THR B 2 169.684 -2.249 -0.540 1.00 0.00 C ATOM 0 H THR B 2 167.907 -5.267 -2.963 1.00 0.00 H new ATOM 0 HA THR B 2 168.570 -4.553 -0.870 1.00 0.00 H new ATOM 0 HB THR B 2 168.038 -1.727 -1.822 1.00 0.00 H new ATOM 0 HG1 THR B 2 169.983 -1.950 -3.090 1.00 0.00 H new ATOM 0 HG21 THR B 2 170.248 -1.345 -0.771 1.00 0.00 H new ATOM 0 HG22 THR B 2 169.113 -2.097 0.376 1.00 0.00 H new ATOM 0 HG23 THR B 2 170.374 -3.082 -0.404 1.00 0.00 H new ATOM 1440 N THR B 3 165.630 -4.158 -0.650 1.00 0.00 N ATOM 1441 CA THR B 3 164.445 -3.870 0.203 1.00 0.00 C ATOM 1442 C THR B 3 164.800 -4.134 1.669 1.00 0.00 C ATOM 1443 O THR B 3 165.481 -5.086 1.991 1.00 0.00 O ATOM 1444 CB THR B 3 163.287 -4.778 -0.218 1.00 0.00 C ATOM 1445 OG1 THR B 3 163.642 -6.135 0.008 1.00 0.00 O ATOM 1446 CG2 THR B 3 162.989 -4.567 -1.703 1.00 0.00 C ATOM 0 H THR B 3 165.494 -4.885 -1.353 1.00 0.00 H new ATOM 0 HA THR B 3 164.150 -2.827 0.084 1.00 0.00 H new ATOM 0 HB THR B 3 162.401 -4.534 0.368 1.00 0.00 H new ATOM 0 HG1 THR B 3 162.900 -6.716 -0.260 1.00 0.00 H new ATOM 0 HG21 THR B 3 162.164 -5.213 -2.004 1.00 0.00 H new ATOM 0 HG22 THR B 3 162.716 -3.526 -1.875 1.00 0.00 H new ATOM 0 HG23 THR B 3 163.874 -4.811 -2.290 1.00 0.00 H new ATOM 1454 N SER B 4 164.343 -3.295 2.558 1.00 0.00 N ATOM 1455 CA SER B 4 164.656 -3.493 4.002 1.00 0.00 C ATOM 1456 C SER B 4 163.724 -4.557 4.587 1.00 0.00 C ATOM 1457 O SER B 4 162.777 -4.987 3.959 1.00 0.00 O ATOM 1458 CB SER B 4 164.463 -2.174 4.750 1.00 0.00 C ATOM 1459 OG SER B 4 163.104 -1.769 4.647 1.00 0.00 O ATOM 0 H SER B 4 163.766 -2.481 2.347 1.00 0.00 H new ATOM 0 HA SER B 4 165.690 -3.822 4.108 1.00 0.00 H new ATOM 0 HB2 SER B 4 164.740 -2.293 5.797 1.00 0.00 H new ATOM 0 HB3 SER B 4 165.115 -1.407 4.332 1.00 0.00 H new ATOM 0 HG SER B 4 162.977 -0.924 5.127 1.00 0.00 H new ATOM 1465 N GLN B 5 164.004 -4.987 5.786 1.00 0.00 N ATOM 1466 CA GLN B 5 163.163 -6.033 6.436 1.00 0.00 C ATOM 1467 C GLN B 5 161.733 -5.525 6.615 1.00 0.00 C ATOM 1468 O GLN B 5 160.815 -6.298 6.805 1.00 0.00 O ATOM 1469 CB GLN B 5 163.750 -6.388 7.807 1.00 0.00 C ATOM 1470 CG GLN B 5 165.071 -7.147 7.631 1.00 0.00 C ATOM 1471 CD GLN B 5 166.174 -6.170 7.225 1.00 0.00 C ATOM 1472 OE1 GLN B 5 166.248 -5.011 7.817 1.00 0.00 O flip ATOM 1473 NE2 GLN B 5 166.976 -6.464 6.361 1.00 0.00 N flip ATOM 0 H GLN B 5 164.787 -4.655 6.349 1.00 0.00 H new ATOM 0 HA GLN B 5 163.151 -6.919 5.801 1.00 0.00 H new ATOM 0 HB2 GLN B 5 163.917 -5.480 8.386 1.00 0.00 H new ATOM 0 HB3 GLN B 5 163.042 -6.998 8.368 1.00 0.00 H new ATOM 0 HG2 GLN B 5 165.340 -7.649 8.560 1.00 0.00 H new ATOM 0 HG3 GLN B 5 164.959 -7.921 6.871 1.00 0.00 H new ATOM 0 HE21 GLN B 5 166.918 -7.371 5.898 1.00 0.00 H new ATOM 0 HE22 GLN B 5 167.708 -5.804 6.098 1.00 0.00 H new ATOM 1482 N LYS B 6 161.526 -4.235 6.565 1.00 0.00 N ATOM 1483 CA LYS B 6 160.152 -3.689 6.741 1.00 0.00 C ATOM 1484 C LYS B 6 159.232 -4.235 5.645 1.00 0.00 C ATOM 1485 O LYS B 6 158.073 -4.514 5.881 1.00 0.00 O ATOM 1486 CB LYS B 6 160.198 -2.165 6.631 1.00 0.00 C ATOM 1487 CG LYS B 6 160.977 -1.585 7.812 1.00 0.00 C ATOM 1488 CD LYS B 6 161.017 -0.061 7.690 1.00 0.00 C ATOM 1489 CE LYS B 6 161.794 0.529 8.868 1.00 0.00 C ATOM 1490 NZ LYS B 6 163.200 0.038 8.829 1.00 0.00 N ATOM 0 H LYS B 6 162.252 -3.536 6.409 1.00 0.00 H new ATOM 0 HA LYS B 6 159.772 -3.985 7.719 1.00 0.00 H new ATOM 0 HB2 LYS B 6 160.670 -1.873 5.693 1.00 0.00 H new ATOM 0 HB3 LYS B 6 159.186 -1.761 6.618 1.00 0.00 H new ATOM 0 HG2 LYS B 6 160.505 -1.874 8.751 1.00 0.00 H new ATOM 0 HG3 LYS B 6 161.990 -1.987 7.827 1.00 0.00 H new ATOM 0 HD2 LYS B 6 161.489 0.226 6.750 1.00 0.00 H new ATOM 0 HD3 LYS B 6 160.003 0.339 7.673 1.00 0.00 H new ATOM 0 HE2 LYS B 6 161.776 1.618 8.821 1.00 0.00 H new ATOM 0 HE3 LYS B 6 161.323 0.243 9.808 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 163.804 0.670 9.392 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 163.243 -0.923 9.223 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 163.536 0.024 7.845 1.00 0.00 H new ATOM 1504 N HIS B 7 159.726 -4.362 4.443 1.00 0.00 N ATOM 1505 CA HIS B 7 158.860 -4.856 3.333 1.00 0.00 C ATOM 1506 C HIS B 7 158.320 -6.251 3.645 1.00 0.00 C ATOM 1507 O HIS B 7 157.134 -6.499 3.557 1.00 0.00 O ATOM 1508 CB HIS B 7 159.681 -4.905 2.038 1.00 0.00 C ATOM 1509 CG HIS B 7 158.875 -5.553 0.943 1.00 0.00 C ATOM 1510 ND1 HIS B 7 157.992 -4.840 0.143 1.00 0.00 N ATOM 1511 CD2 HIS B 7 158.807 -6.854 0.506 1.00 0.00 C ATOM 1512 CE1 HIS B 7 157.437 -5.710 -0.725 1.00 0.00 C ATOM 1513 NE2 HIS B 7 157.901 -6.946 -0.543 1.00 0.00 N ATOM 0 H HIS B 7 160.688 -4.146 4.182 1.00 0.00 H new ATOM 0 HA HIS B 7 158.016 -4.176 3.218 1.00 0.00 H new ATOM 0 HB2 HIS B 7 159.969 -3.896 1.741 1.00 0.00 H new ATOM 0 HB3 HIS B 7 160.602 -5.464 2.202 1.00 0.00 H new ATOM 0 HD2 HIS B 7 159.371 -7.679 0.915 1.00 0.00 H new ATOM 0 HE1 HIS B 7 156.708 -5.439 -1.474 1.00 0.00 H new ATOM 0 HE2 HIS B 7 157.645 -7.784 -1.065 1.00 0.00 H new ATOM 1521 N ARG B 8 159.173 -7.171 4.010 1.00 0.00 N ATOM 1522 CA ARG B 8 158.699 -8.545 4.326 1.00 0.00 C ATOM 1523 C ARG B 8 157.904 -8.533 5.629 1.00 0.00 C ATOM 1524 O ARG B 8 156.978 -9.297 5.812 1.00 0.00 O ATOM 1525 CB ARG B 8 159.903 -9.481 4.459 1.00 0.00 C ATOM 1526 CG ARG B 8 160.531 -9.699 3.080 1.00 0.00 C ATOM 1527 CD ARG B 8 161.728 -10.640 3.210 1.00 0.00 C ATOM 1528 NE ARG B 8 162.740 -10.046 4.123 1.00 0.00 N ATOM 1529 CZ ARG B 8 163.660 -10.804 4.651 1.00 0.00 C ATOM 1530 NH1 ARG B 8 163.690 -12.079 4.375 1.00 0.00 N ATOM 1531 NH2 ARG B 8 164.549 -10.290 5.456 1.00 0.00 N ATOM 0 H ARG B 8 160.179 -7.028 4.102 1.00 0.00 H new ATOM 0 HA ARG B 8 158.054 -8.899 3.522 1.00 0.00 H new ATOM 0 HB2 ARG B 8 160.637 -9.053 5.142 1.00 0.00 H new ATOM 0 HB3 ARG B 8 159.591 -10.435 4.884 1.00 0.00 H new ATOM 0 HG2 ARG B 8 159.795 -10.121 2.396 1.00 0.00 H new ATOM 0 HG3 ARG B 8 160.848 -8.745 2.658 1.00 0.00 H new ATOM 0 HD2 ARG B 8 161.402 -11.607 3.594 1.00 0.00 H new ATOM 0 HD3 ARG B 8 162.170 -10.819 2.230 1.00 0.00 H new ATOM 0 HE ARG B 8 162.715 -9.049 4.336 1.00 0.00 H new ATOM 0 HH11 ARG B 8 162.994 -12.481 3.747 1.00 0.00 H new ATOM 0 HH12 ARG B 8 164.409 -12.673 4.787 1.00 0.00 H new ATOM 0 HH21 ARG B 8 164.525 -9.294 5.673 1.00 0.00 H new ATOM 0 HH22 ARG B 8 165.268 -10.885 5.868 1.00 0.00 H new ATOM 1545 N ASP B 9 158.257 -7.665 6.527 1.00 0.00 N ATOM 1546 CA ASP B 9 157.526 -7.588 7.819 1.00 0.00 C ATOM 1547 C ASP B 9 156.125 -7.012 7.595 1.00 0.00 C ATOM 1548 O ASP B 9 155.164 -7.437 8.202 1.00 0.00 O ATOM 1549 CB ASP B 9 158.290 -6.685 8.784 1.00 0.00 C ATOM 1550 CG ASP B 9 159.581 -7.377 9.220 1.00 0.00 C ATOM 1551 OD1 ASP B 9 159.630 -8.595 9.153 1.00 0.00 O ATOM 1552 OD2 ASP B 9 160.502 -6.678 9.608 1.00 0.00 O ATOM 0 H ASP B 9 159.024 -7.001 6.423 1.00 0.00 H new ATOM 0 HA ASP B 9 157.441 -8.590 8.239 1.00 0.00 H new ATOM 0 HB2 ASP B 9 158.520 -5.734 8.304 1.00 0.00 H new ATOM 0 HB3 ASP B 9 157.673 -6.462 9.655 1.00 0.00 H new ATOM 1557 N PHE B 10 156.007 -6.027 6.746 1.00 0.00 N ATOM 1558 CA PHE B 10 154.674 -5.401 6.509 1.00 0.00 C ATOM 1559 C PHE B 10 153.728 -6.395 5.830 1.00 0.00 C ATOM 1560 O PHE B 10 152.572 -6.505 6.189 1.00 0.00 O ATOM 1561 CB PHE B 10 154.853 -4.167 5.622 1.00 0.00 C ATOM 1562 CG PHE B 10 153.555 -3.396 5.556 1.00 0.00 C ATOM 1563 CD1 PHE B 10 153.271 -2.426 6.525 1.00 0.00 C ATOM 1564 CD2 PHE B 10 152.642 -3.643 4.523 1.00 0.00 C ATOM 1565 CE1 PHE B 10 152.074 -1.704 6.464 1.00 0.00 C ATOM 1566 CE2 PHE B 10 151.443 -2.921 4.462 1.00 0.00 C ATOM 1567 CZ PHE B 10 151.159 -1.952 5.433 1.00 0.00 C ATOM 0 H PHE B 10 156.776 -5.629 6.206 1.00 0.00 H new ATOM 0 HA PHE B 10 154.239 -5.110 7.465 1.00 0.00 H new ATOM 0 HB2 PHE B 10 155.645 -3.532 6.020 1.00 0.00 H new ATOM 0 HB3 PHE B 10 155.160 -4.468 4.620 1.00 0.00 H new ATOM 0 HD1 PHE B 10 153.976 -2.235 7.320 1.00 0.00 H new ATOM 0 HD2 PHE B 10 152.862 -4.389 3.774 1.00 0.00 H new ATOM 0 HE1 PHE B 10 151.856 -0.956 7.212 1.00 0.00 H new ATOM 0 HE2 PHE B 10 150.738 -3.111 3.667 1.00 0.00 H new ATOM 0 HZ PHE B 10 150.234 -1.396 5.387 1.00 0.00 H new ATOM 1577 N VAL B 11 154.199 -7.120 4.853 1.00 0.00 N ATOM 1578 CA VAL B 11 153.314 -8.104 4.161 1.00 0.00 C ATOM 1579 C VAL B 11 153.270 -9.403 4.968 1.00 0.00 C ATOM 1580 O VAL B 11 152.855 -10.433 4.475 1.00 0.00 O ATOM 1581 CB VAL B 11 153.870 -8.393 2.766 1.00 0.00 C ATOM 1582 CG1 VAL B 11 153.981 -7.087 1.976 1.00 0.00 C ATOM 1583 CG2 VAL B 11 155.254 -9.031 2.901 1.00 0.00 C ATOM 0 H VAL B 11 155.156 -7.075 4.503 1.00 0.00 H new ATOM 0 HA VAL B 11 152.308 -7.693 4.076 1.00 0.00 H new ATOM 0 HB VAL B 11 153.202 -9.074 2.239 1.00 0.00 H new ATOM 0 HG11 VAL B 11 154.377 -7.295 0.982 1.00 0.00 H new ATOM 0 HG12 VAL B 11 152.995 -6.632 1.885 1.00 0.00 H new ATOM 0 HG13 VAL B 11 154.650 -6.402 2.497 1.00 0.00 H new ATOM 0 HG21 VAL B 11 155.657 -9.240 1.910 1.00 0.00 H new ATOM 0 HG22 VAL B 11 155.920 -8.347 3.427 1.00 0.00 H new ATOM 0 HG23 VAL B 11 155.172 -9.961 3.463 1.00 0.00 H new ATOM 1593 N ALA B 12 153.714 -9.362 6.203 1.00 0.00 N ATOM 1594 CA ALA B 12 153.726 -10.593 7.060 1.00 0.00 C ATOM 1595 C ALA B 12 152.778 -10.432 8.254 1.00 0.00 C ATOM 1596 O ALA B 12 152.483 -11.386 8.946 1.00 0.00 O ATOM 1597 CB ALA B 12 155.146 -10.817 7.580 1.00 0.00 C ATOM 0 H ALA B 12 154.071 -8.522 6.658 1.00 0.00 H new ATOM 0 HA ALA B 12 153.396 -11.443 6.463 1.00 0.00 H new ATOM 0 HB1 ALA B 12 155.168 -11.710 8.205 1.00 0.00 H new ATOM 0 HB2 ALA B 12 155.826 -10.947 6.738 1.00 0.00 H new ATOM 0 HB3 ALA B 12 155.458 -9.954 8.169 1.00 0.00 H new ATOM 1603 N GLU B 13 152.287 -9.247 8.501 1.00 0.00 N ATOM 1604 CA GLU B 13 151.349 -9.056 9.652 1.00 0.00 C ATOM 1605 C GLU B 13 150.435 -7.853 9.370 1.00 0.00 C ATOM 1606 O GLU B 13 150.822 -6.941 8.667 1.00 0.00 O ATOM 1607 CB GLU B 13 152.153 -8.806 10.934 1.00 0.00 C ATOM 1608 CG GLU B 13 153.223 -7.746 10.675 1.00 0.00 C ATOM 1609 CD GLU B 13 153.775 -7.238 12.009 1.00 0.00 C ATOM 1610 OE1 GLU B 13 153.810 -8.018 12.947 1.00 0.00 O ATOM 1611 OE2 GLU B 13 154.152 -6.079 12.071 1.00 0.00 O ATOM 0 H GLU B 13 152.491 -8.406 7.961 1.00 0.00 H new ATOM 0 HA GLU B 13 150.740 -9.951 9.779 1.00 0.00 H new ATOM 0 HB2 GLU B 13 151.488 -8.477 11.733 1.00 0.00 H new ATOM 0 HB3 GLU B 13 152.619 -9.733 11.268 1.00 0.00 H new ATOM 0 HG2 GLU B 13 154.028 -8.167 10.073 1.00 0.00 H new ATOM 0 HG3 GLU B 13 152.799 -6.918 10.106 1.00 0.00 H new ATOM 1618 N PRO B 14 149.239 -7.826 9.921 1.00 0.00 N ATOM 1619 CA PRO B 14 148.301 -6.686 9.713 1.00 0.00 C ATOM 1620 C PRO B 14 149.015 -5.330 9.785 1.00 0.00 C ATOM 1621 O PRO B 14 150.107 -5.220 10.307 1.00 0.00 O ATOM 1622 CB PRO B 14 147.302 -6.834 10.864 1.00 0.00 C ATOM 1623 CG PRO B 14 147.249 -8.304 11.135 1.00 0.00 C ATOM 1624 CD PRO B 14 148.641 -8.863 10.790 1.00 0.00 C ATOM 0 HA PRO B 14 147.836 -6.710 8.727 1.00 0.00 H new ATOM 0 HB2 PRO B 14 147.628 -6.281 11.745 1.00 0.00 H new ATOM 0 HB3 PRO B 14 146.321 -6.447 10.589 1.00 0.00 H new ATOM 0 HG2 PRO B 14 147.001 -8.497 12.179 1.00 0.00 H new ATOM 0 HG3 PRO B 14 146.478 -8.782 10.531 1.00 0.00 H new ATOM 0 HD2 PRO B 14 149.239 -9.026 11.687 1.00 0.00 H new ATOM 0 HD3 PRO B 14 148.570 -9.822 10.276 1.00 0.00 H new ATOM 1632 N MET B 15 148.406 -4.298 9.264 1.00 0.00 N ATOM 1633 CA MET B 15 149.046 -2.950 9.301 1.00 0.00 C ATOM 1634 C MET B 15 148.610 -2.214 10.573 1.00 0.00 C ATOM 1635 O MET B 15 149.254 -1.286 11.020 1.00 0.00 O ATOM 1636 CB MET B 15 148.608 -2.148 8.071 1.00 0.00 C ATOM 1637 CG MET B 15 147.107 -2.346 7.834 1.00 0.00 C ATOM 1638 SD MET B 15 146.474 -0.998 6.801 1.00 0.00 S ATOM 1639 CE MET B 15 146.961 -1.672 5.193 1.00 0.00 C ATOM 0 H MET B 15 147.491 -4.330 8.814 1.00 0.00 H new ATOM 0 HA MET B 15 150.131 -3.059 9.299 1.00 0.00 H new ATOM 0 HB2 MET B 15 148.827 -1.090 8.218 1.00 0.00 H new ATOM 0 HB3 MET B 15 149.170 -2.471 7.195 1.00 0.00 H new ATOM 0 HG2 MET B 15 146.928 -3.305 7.348 1.00 0.00 H new ATOM 0 HG3 MET B 15 146.578 -2.368 8.787 1.00 0.00 H new ATOM 0 HE1 MET B 15 147.148 -0.854 4.497 1.00 0.00 H new ATOM 0 HE2 MET B 15 147.868 -2.266 5.307 1.00 0.00 H new ATOM 0 HE3 MET B 15 146.161 -2.302 4.805 1.00 0.00 H new ATOM 1649 N GLY B 16 147.519 -2.631 11.158 1.00 0.00 N ATOM 1650 CA GLY B 16 147.033 -1.970 12.404 1.00 0.00 C ATOM 1651 C GLY B 16 147.000 -0.452 12.212 1.00 0.00 C ATOM 1652 O GLY B 16 146.619 0.044 11.170 1.00 0.00 O ATOM 0 H GLY B 16 146.942 -3.403 10.825 1.00 0.00 H new ATOM 0 HA2 GLY B 16 146.037 -2.335 12.654 1.00 0.00 H new ATOM 0 HA3 GLY B 16 147.685 -2.225 13.239 1.00 0.00 H new ATOM 1656 N GLU B 17 147.377 0.289 13.224 1.00 0.00 N ATOM 1657 CA GLU B 17 147.352 1.784 13.136 1.00 0.00 C ATOM 1658 C GLU B 17 148.772 2.328 12.974 1.00 0.00 C ATOM 1659 O GLU B 17 149.066 3.433 13.383 1.00 0.00 O ATOM 1660 CB GLU B 17 146.747 2.350 14.425 1.00 0.00 C ATOM 1661 CG GLU B 17 145.257 2.014 14.485 1.00 0.00 C ATOM 1662 CD GLU B 17 144.658 2.583 15.774 1.00 0.00 C ATOM 1663 OE1 GLU B 17 145.424 3.021 16.616 1.00 0.00 O ATOM 1664 OE2 GLU B 17 143.444 2.568 15.897 1.00 0.00 O ATOM 0 H GLU B 17 147.704 -0.081 14.117 1.00 0.00 H new ATOM 0 HA GLU B 17 146.754 2.080 12.274 1.00 0.00 H new ATOM 0 HB2 GLU B 17 147.259 1.933 15.292 1.00 0.00 H new ATOM 0 HB3 GLU B 17 146.888 3.430 14.461 1.00 0.00 H new ATOM 0 HG2 GLU B 17 144.744 2.430 13.618 1.00 0.00 H new ATOM 0 HG3 GLU B 17 145.115 0.934 14.451 1.00 0.00 H new ATOM 1671 N LYS B 18 149.660 1.573 12.387 1.00 0.00 N ATOM 1672 CA LYS B 18 151.052 2.074 12.219 1.00 0.00 C ATOM 1673 C LYS B 18 151.011 3.345 11.354 1.00 0.00 C ATOM 1674 O LYS B 18 150.152 3.488 10.507 1.00 0.00 O ATOM 1675 CB LYS B 18 151.898 1.004 11.518 1.00 0.00 C ATOM 1676 CG LYS B 18 152.110 -0.184 12.461 1.00 0.00 C ATOM 1677 CD LYS B 18 153.078 -1.180 11.816 1.00 0.00 C ATOM 1678 CE LYS B 18 153.162 -2.449 12.674 1.00 0.00 C ATOM 1679 NZ LYS B 18 153.017 -2.089 14.112 1.00 0.00 N ATOM 0 H LYS B 18 149.483 0.638 12.019 1.00 0.00 H new ATOM 0 HA LYS B 18 151.492 2.297 13.191 1.00 0.00 H new ATOM 0 HB2 LYS B 18 151.401 0.673 10.606 1.00 0.00 H new ATOM 0 HB3 LYS B 18 152.860 1.423 11.223 1.00 0.00 H new ATOM 0 HG2 LYS B 18 152.509 0.162 13.415 1.00 0.00 H new ATOM 0 HG3 LYS B 18 151.157 -0.670 12.671 1.00 0.00 H new ATOM 0 HD2 LYS B 18 152.740 -1.431 10.810 1.00 0.00 H new ATOM 0 HD3 LYS B 18 154.066 -0.730 11.717 1.00 0.00 H new ATOM 0 HE2 LYS B 18 152.379 -3.150 12.383 1.00 0.00 H new ATOM 0 HE3 LYS B 18 154.116 -2.950 12.508 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 153.322 -2.889 14.703 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 153.606 -1.258 14.323 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 152.021 -1.869 14.316 1.00 0.00 H new ATOM 1693 N PRO B 19 151.916 4.273 11.570 1.00 0.00 N ATOM 1694 CA PRO B 19 151.948 5.556 10.799 1.00 0.00 C ATOM 1695 C PRO B 19 152.247 5.340 9.312 1.00 0.00 C ATOM 1696 O PRO B 19 152.819 4.345 8.915 1.00 0.00 O ATOM 1697 CB PRO B 19 153.065 6.370 11.478 1.00 0.00 C ATOM 1698 CG PRO B 19 153.936 5.351 12.139 1.00 0.00 C ATOM 1699 CD PRO B 19 153.006 4.214 12.561 1.00 0.00 C ATOM 0 HA PRO B 19 150.982 6.060 10.815 1.00 0.00 H new ATOM 0 HB2 PRO B 19 153.625 6.956 10.750 1.00 0.00 H new ATOM 0 HB3 PRO B 19 152.656 7.072 12.205 1.00 0.00 H new ATOM 0 HG2 PRO B 19 154.706 4.993 11.455 1.00 0.00 H new ATOM 0 HG3 PRO B 19 154.449 5.776 13.002 1.00 0.00 H new ATOM 0 HD2 PRO B 19 153.515 3.251 12.540 1.00 0.00 H new ATOM 0 HD3 PRO B 19 152.634 4.356 13.576 1.00 0.00 H new ATOM 1707 N VAL B 20 151.844 6.271 8.490 1.00 0.00 N ATOM 1708 CA VAL B 20 152.077 6.139 7.026 1.00 0.00 C ATOM 1709 C VAL B 20 153.563 5.900 6.741 1.00 0.00 C ATOM 1710 O VAL B 20 153.924 5.077 5.923 1.00 0.00 O ATOM 1711 CB VAL B 20 151.621 7.422 6.326 1.00 0.00 C ATOM 1712 CG1 VAL B 20 152.368 8.624 6.908 1.00 0.00 C ATOM 1713 CG2 VAL B 20 151.916 7.316 4.828 1.00 0.00 C ATOM 0 H VAL B 20 151.360 7.123 8.774 1.00 0.00 H new ATOM 0 HA VAL B 20 151.508 5.289 6.650 1.00 0.00 H new ATOM 0 HB VAL B 20 150.550 7.555 6.481 1.00 0.00 H new ATOM 0 HG11 VAL B 20 152.040 9.534 6.406 1.00 0.00 H new ATOM 0 HG12 VAL B 20 152.158 8.702 7.975 1.00 0.00 H new ATOM 0 HG13 VAL B 20 153.440 8.494 6.758 1.00 0.00 H new ATOM 0 HG21 VAL B 20 151.592 8.229 4.328 1.00 0.00 H new ATOM 0 HG22 VAL B 20 152.987 7.180 4.677 1.00 0.00 H new ATOM 0 HG23 VAL B 20 151.380 6.464 4.411 1.00 0.00 H new ATOM 1723 N GLY B 21 154.427 6.630 7.400 1.00 0.00 N ATOM 1724 CA GLY B 21 155.891 6.474 7.163 1.00 0.00 C ATOM 1725 C GLY B 21 156.318 5.019 7.364 1.00 0.00 C ATOM 1726 O GLY B 21 157.460 4.669 7.141 1.00 0.00 O ATOM 0 H GLY B 21 154.177 7.332 8.097 1.00 0.00 H new ATOM 0 HA2 GLY B 21 156.137 6.794 6.150 1.00 0.00 H new ATOM 0 HA3 GLY B 21 156.446 7.119 7.845 1.00 0.00 H new ATOM 1730 N SER B 22 155.426 4.160 7.781 1.00 0.00 N ATOM 1731 CA SER B 22 155.813 2.734 7.983 1.00 0.00 C ATOM 1732 C SER B 22 155.776 2.006 6.638 1.00 0.00 C ATOM 1733 O SER B 22 156.374 0.962 6.469 1.00 0.00 O ATOM 1734 CB SER B 22 154.829 2.071 8.947 1.00 0.00 C ATOM 1735 OG SER B 22 154.860 2.755 10.193 1.00 0.00 O ATOM 0 H SER B 22 154.453 4.382 7.989 1.00 0.00 H new ATOM 0 HA SER B 22 156.819 2.683 8.400 1.00 0.00 H new ATOM 0 HB2 SER B 22 153.822 2.095 8.531 1.00 0.00 H new ATOM 0 HB3 SER B 22 155.091 1.022 9.088 1.00 0.00 H new ATOM 0 HG SER B 22 154.108 3.382 10.241 1.00 0.00 H new ATOM 1741 N LEU B 23 155.074 2.547 5.677 1.00 0.00 N ATOM 1742 CA LEU B 23 154.995 1.883 4.344 1.00 0.00 C ATOM 1743 C LEU B 23 156.379 1.866 3.691 1.00 0.00 C ATOM 1744 O LEU B 23 157.103 2.841 3.709 1.00 0.00 O ATOM 1745 CB LEU B 23 154.025 2.652 3.445 1.00 0.00 C ATOM 1746 CG LEU B 23 152.615 2.625 4.048 1.00 0.00 C ATOM 1747 CD1 LEU B 23 151.691 3.502 3.195 1.00 0.00 C ATOM 1748 CD2 LEU B 23 152.078 1.179 4.081 1.00 0.00 C ATOM 0 H LEU B 23 154.552 3.420 5.758 1.00 0.00 H new ATOM 0 HA LEU B 23 154.642 0.860 4.476 1.00 0.00 H new ATOM 0 HB2 LEU B 23 154.361 3.683 3.332 1.00 0.00 H new ATOM 0 HB3 LEU B 23 154.012 2.210 2.449 1.00 0.00 H new ATOM 0 HG LEU B 23 152.650 3.007 5.068 1.00 0.00 H new ATOM 0 HD11 LEU B 23 150.686 3.489 3.616 1.00 0.00 H new ATOM 0 HD12 LEU B 23 152.067 4.525 3.185 1.00 0.00 H new ATOM 0 HD13 LEU B 23 151.662 3.117 2.176 1.00 0.00 H new ATOM 0 HD21 LEU B 23 151.076 1.173 4.511 1.00 0.00 H new ATOM 0 HD22 LEU B 23 152.040 0.782 3.067 1.00 0.00 H new ATOM 0 HD23 LEU B 23 152.738 0.560 4.689 1.00 0.00 H new ATOM 1760 N ALA B 24 156.739 0.761 3.109 1.00 0.00 N ATOM 1761 CA ALA B 24 158.068 0.671 2.445 1.00 0.00 C ATOM 1762 C ALA B 24 158.118 1.641 1.261 1.00 0.00 C ATOM 1763 O ALA B 24 157.190 1.748 0.485 1.00 0.00 O ATOM 1764 CB ALA B 24 158.293 -0.758 1.946 1.00 0.00 C ATOM 0 H ALA B 24 156.172 -0.085 3.063 1.00 0.00 H new ATOM 0 HA ALA B 24 158.848 0.934 3.159 1.00 0.00 H new ATOM 0 HB1 ALA B 24 159.266 -0.825 1.460 1.00 0.00 H new ATOM 0 HB2 ALA B 24 158.261 -1.447 2.790 1.00 0.00 H new ATOM 0 HB3 ALA B 24 157.512 -1.021 1.233 1.00 0.00 H new ATOM 1770 N GLY B 25 159.208 2.352 1.125 1.00 0.00 N ATOM 1771 CA GLY B 25 159.346 3.330 0.000 1.00 0.00 C ATOM 1772 C GLY B 25 159.050 4.744 0.506 1.00 0.00 C ATOM 1773 O GLY B 25 159.386 5.723 -0.130 1.00 0.00 O ATOM 0 H GLY B 25 160.014 2.298 1.748 1.00 0.00 H new ATOM 0 HA2 GLY B 25 160.354 3.285 -0.412 1.00 0.00 H new ATOM 0 HA3 GLY B 25 158.660 3.071 -0.806 1.00 0.00 H new ATOM 1777 N ILE B 26 158.432 4.862 1.653 1.00 0.00 N ATOM 1778 CA ILE B 26 158.123 6.216 2.213 1.00 0.00 C ATOM 1779 C ILE B 26 159.188 6.557 3.253 1.00 0.00 C ATOM 1780 O ILE B 26 159.313 5.886 4.258 1.00 0.00 O ATOM 1781 CB ILE B 26 156.750 6.188 2.894 1.00 0.00 C ATOM 1782 CG1 ILE B 26 155.682 5.683 1.911 1.00 0.00 C ATOM 1783 CG2 ILE B 26 156.386 7.594 3.374 1.00 0.00 C ATOM 1784 CD1 ILE B 26 155.703 6.507 0.617 1.00 0.00 C ATOM 0 H ILE B 26 158.126 4.078 2.229 1.00 0.00 H new ATOM 0 HA ILE B 26 158.114 6.959 1.415 1.00 0.00 H new ATOM 0 HB ILE B 26 156.791 5.512 3.748 1.00 0.00 H new ATOM 0 HG12 ILE B 26 155.859 4.632 1.682 1.00 0.00 H new ATOM 0 HG13 ILE B 26 154.697 5.747 2.373 1.00 0.00 H new ATOM 0 HG21 ILE B 26 155.410 7.572 3.858 1.00 0.00 H new ATOM 0 HG22 ILE B 26 157.136 7.941 4.085 1.00 0.00 H new ATOM 0 HG23 ILE B 26 156.353 8.272 2.521 1.00 0.00 H new ATOM 0 HD11 ILE B 26 154.939 6.133 -0.065 1.00 0.00 H new ATOM 0 HD12 ILE B 26 155.502 7.553 0.848 1.00 0.00 H new ATOM 0 HD13 ILE B 26 156.683 6.421 0.147 1.00 0.00 H new ATOM 1796 N GLY B 27 159.958 7.596 3.040 1.00 0.00 N ATOM 1797 CA GLY B 27 161.003 7.970 4.036 1.00 0.00 C ATOM 1798 C GLY B 27 160.419 8.970 5.036 1.00 0.00 C ATOM 1799 O GLY B 27 159.300 9.423 4.897 1.00 0.00 O ATOM 0 H GLY B 27 159.906 8.199 2.219 1.00 0.00 H new ATOM 0 HA2 GLY B 27 161.357 7.081 4.559 1.00 0.00 H new ATOM 0 HA3 GLY B 27 161.864 8.406 3.530 1.00 0.00 H new ATOM 1803 N GLU B 28 161.161 9.296 6.056 1.00 0.00 N ATOM 1804 CA GLU B 28 160.645 10.243 7.085 1.00 0.00 C ATOM 1805 C GLU B 28 160.224 11.567 6.439 1.00 0.00 C ATOM 1806 O GLU B 28 159.227 12.152 6.809 1.00 0.00 O ATOM 1807 CB GLU B 28 161.749 10.516 8.109 1.00 0.00 C ATOM 1808 CG GLU B 28 161.989 9.262 8.952 1.00 0.00 C ATOM 1809 CD GLU B 28 163.108 9.534 9.959 1.00 0.00 C ATOM 1810 OE1 GLU B 28 163.750 10.564 9.838 1.00 0.00 O ATOM 1811 OE2 GLU B 28 163.303 8.707 10.834 1.00 0.00 O ATOM 0 H GLU B 28 162.105 8.947 6.223 1.00 0.00 H new ATOM 0 HA GLU B 28 159.777 9.797 7.570 1.00 0.00 H new ATOM 0 HB2 GLU B 28 162.668 10.805 7.599 1.00 0.00 H new ATOM 0 HB3 GLU B 28 161.465 11.349 8.751 1.00 0.00 H new ATOM 0 HG2 GLU B 28 161.075 8.981 9.475 1.00 0.00 H new ATOM 0 HG3 GLU B 28 162.259 8.424 8.309 1.00 0.00 H new ATOM 1818 N VAL B 29 160.971 12.054 5.488 1.00 0.00 N ATOM 1819 CA VAL B 29 160.594 13.347 4.848 1.00 0.00 C ATOM 1820 C VAL B 29 159.320 13.164 4.020 1.00 0.00 C ATOM 1821 O VAL B 29 158.441 14.002 4.022 1.00 0.00 O ATOM 1822 CB VAL B 29 161.733 13.818 3.940 1.00 0.00 C ATOM 1823 CG1 VAL B 29 161.290 15.057 3.157 1.00 0.00 C ATOM 1824 CG2 VAL B 29 162.954 14.162 4.796 1.00 0.00 C ATOM 0 H VAL B 29 161.820 11.618 5.128 1.00 0.00 H new ATOM 0 HA VAL B 29 160.413 14.093 5.622 1.00 0.00 H new ATOM 0 HB VAL B 29 161.990 13.024 3.239 1.00 0.00 H new ATOM 0 HG11 VAL B 29 162.103 15.390 2.512 1.00 0.00 H new ATOM 0 HG12 VAL B 29 160.421 14.811 2.547 1.00 0.00 H new ATOM 0 HG13 VAL B 29 161.030 15.854 3.854 1.00 0.00 H new ATOM 0 HG21 VAL B 29 163.767 14.498 4.152 1.00 0.00 H new ATOM 0 HG22 VAL B 29 162.695 14.955 5.497 1.00 0.00 H new ATOM 0 HG23 VAL B 29 163.271 13.278 5.349 1.00 0.00 H new ATOM 1834 N LEU B 30 159.219 12.078 3.307 1.00 0.00 N ATOM 1835 CA LEU B 30 158.010 11.841 2.470 1.00 0.00 C ATOM 1836 C LEU B 30 156.795 11.628 3.372 1.00 0.00 C ATOM 1837 O LEU B 30 155.706 12.078 3.079 1.00 0.00 O ATOM 1838 CB LEU B 30 158.228 10.607 1.591 1.00 0.00 C ATOM 1839 CG LEU B 30 159.392 10.857 0.620 1.00 0.00 C ATOM 1840 CD1 LEU B 30 159.689 9.568 -0.154 1.00 0.00 C ATOM 1841 CD2 LEU B 30 159.032 11.984 -0.371 1.00 0.00 C ATOM 0 H LEU B 30 159.924 11.342 3.267 1.00 0.00 H new ATOM 0 HA LEU B 30 157.835 12.708 1.833 1.00 0.00 H new ATOM 0 HB2 LEU B 30 158.443 9.739 2.214 1.00 0.00 H new ATOM 0 HB3 LEU B 30 157.319 10.382 1.033 1.00 0.00 H new ATOM 0 HG LEU B 30 160.272 11.159 1.188 1.00 0.00 H new ATOM 0 HD11 LEU B 30 160.515 9.740 -0.845 1.00 0.00 H new ATOM 0 HD12 LEU B 30 159.960 8.778 0.546 1.00 0.00 H new ATOM 0 HD13 LEU B 30 158.804 9.268 -0.715 1.00 0.00 H new ATOM 0 HD21 LEU B 30 159.866 12.150 -1.052 1.00 0.00 H new ATOM 0 HD22 LEU B 30 158.149 11.698 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU B 30 158.826 12.901 0.180 1.00 0.00 H new ATOM 1853 N GLY B 31 156.974 10.947 4.467 1.00 0.00 N ATOM 1854 CA GLY B 31 155.827 10.712 5.386 1.00 0.00 C ATOM 1855 C GLY B 31 155.274 12.055 5.870 1.00 0.00 C ATOM 1856 O GLY B 31 154.082 12.225 6.032 1.00 0.00 O ATOM 0 H GLY B 31 157.862 10.544 4.766 1.00 0.00 H new ATOM 0 HA2 GLY B 31 155.047 10.149 4.874 1.00 0.00 H new ATOM 0 HA3 GLY B 31 156.147 10.111 6.237 1.00 0.00 H new ATOM 1860 N LYS B 32 156.135 13.007 6.119 1.00 0.00 N ATOM 1861 CA LYS B 32 155.663 14.337 6.611 1.00 0.00 C ATOM 1862 C LYS B 32 154.826 15.051 5.542 1.00 0.00 C ATOM 1863 O LYS B 32 153.843 15.694 5.852 1.00 0.00 O ATOM 1864 CB LYS B 32 156.871 15.205 6.972 1.00 0.00 C ATOM 1865 CG LYS B 32 157.540 14.645 8.228 1.00 0.00 C ATOM 1866 CD LYS B 32 158.749 15.509 8.593 1.00 0.00 C ATOM 1867 CE LYS B 32 159.416 14.948 9.850 1.00 0.00 C ATOM 1868 NZ LYS B 32 160.067 13.647 9.526 1.00 0.00 N ATOM 0 H LYS B 32 157.145 12.922 6.003 1.00 0.00 H new ATOM 0 HA LYS B 32 155.040 14.178 7.491 1.00 0.00 H new ATOM 0 HB2 LYS B 32 157.581 15.222 6.145 1.00 0.00 H new ATOM 0 HB3 LYS B 32 156.555 16.234 7.143 1.00 0.00 H new ATOM 0 HG2 LYS B 32 156.829 14.628 9.054 1.00 0.00 H new ATOM 0 HG3 LYS B 32 157.854 13.615 8.057 1.00 0.00 H new ATOM 0 HD2 LYS B 32 159.460 15.525 7.767 1.00 0.00 H new ATOM 0 HD3 LYS B 32 158.435 16.539 8.764 1.00 0.00 H new ATOM 0 HE2 LYS B 32 160.156 15.653 10.228 1.00 0.00 H new ATOM 0 HE3 LYS B 32 158.675 14.810 10.638 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 159.652 12.896 10.113 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 159.916 13.424 8.521 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 161.087 13.712 9.717 1.00 0.00 H new ATOM 1882 N LYS B 33 155.209 14.978 4.294 1.00 0.00 N ATOM 1883 CA LYS B 33 154.418 15.694 3.249 1.00 0.00 C ATOM 1884 C LYS B 33 153.032 15.049 3.120 1.00 0.00 C ATOM 1885 O LYS B 33 152.030 15.729 3.024 1.00 0.00 O ATOM 1886 CB LYS B 33 155.144 15.597 1.902 1.00 0.00 C ATOM 1887 CG LYS B 33 156.460 16.381 1.951 1.00 0.00 C ATOM 1888 CD LYS B 33 157.166 16.268 0.593 1.00 0.00 C ATOM 1889 CE LYS B 33 158.498 17.031 0.618 1.00 0.00 C ATOM 1890 NZ LYS B 33 158.258 18.474 0.329 1.00 0.00 N ATOM 0 H LYS B 33 156.022 14.462 3.956 1.00 0.00 H new ATOM 0 HA LYS B 33 154.310 16.740 3.535 1.00 0.00 H new ATOM 0 HB2 LYS B 33 155.343 14.552 1.663 1.00 0.00 H new ATOM 0 HB3 LYS B 33 154.508 15.990 1.109 1.00 0.00 H new ATOM 0 HG2 LYS B 33 156.265 17.427 2.187 1.00 0.00 H new ATOM 0 HG3 LYS B 33 157.101 15.990 2.741 1.00 0.00 H new ATOM 0 HD2 LYS B 33 157.345 15.219 0.355 1.00 0.00 H new ATOM 0 HD3 LYS B 33 156.525 16.669 -0.192 1.00 0.00 H new ATOM 0 HE2 LYS B 33 158.973 16.920 1.593 1.00 0.00 H new ATOM 0 HE3 LYS B 33 159.182 16.612 -0.120 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 159.163 18.987 0.347 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 157.823 18.572 -0.611 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 157.621 18.871 1.049 1.00 0.00 H new ATOM 1904 N LEU B 34 152.965 13.745 3.133 1.00 0.00 N ATOM 1905 CA LEU B 34 151.640 13.059 3.031 1.00 0.00 C ATOM 1906 C LEU B 34 150.789 13.414 4.258 1.00 0.00 C ATOM 1907 O LEU B 34 149.596 13.626 4.168 1.00 0.00 O ATOM 1908 CB LEU B 34 151.845 11.541 2.967 1.00 0.00 C ATOM 1909 CG LEU B 34 152.532 11.148 1.651 1.00 0.00 C ATOM 1910 CD1 LEU B 34 152.939 9.673 1.730 1.00 0.00 C ATOM 1911 CD2 LEU B 34 151.578 11.356 0.455 1.00 0.00 C ATOM 0 H LEU B 34 153.770 13.123 3.210 1.00 0.00 H new ATOM 0 HA LEU B 34 151.130 13.388 2.126 1.00 0.00 H new ATOM 0 HB2 LEU B 34 152.450 11.214 3.812 1.00 0.00 H new ATOM 0 HB3 LEU B 34 150.883 11.034 3.048 1.00 0.00 H new ATOM 0 HG LEU B 34 153.410 11.776 1.504 1.00 0.00 H new ATOM 0 HD11 LEU B 34 153.428 9.380 0.801 1.00 0.00 H new ATOM 0 HD12 LEU B 34 153.627 9.529 2.563 1.00 0.00 H new ATOM 0 HD13 LEU B 34 152.052 9.058 1.882 1.00 0.00 H new ATOM 0 HD21 LEU B 34 152.084 11.072 -0.468 1.00 0.00 H new ATOM 0 HD22 LEU B 34 150.689 10.739 0.587 1.00 0.00 H new ATOM 0 HD23 LEU B 34 151.286 12.405 0.401 1.00 0.00 H new ATOM 1923 N GLU B 35 151.409 13.467 5.401 1.00 0.00 N ATOM 1924 CA GLU B 35 150.650 13.794 6.647 1.00 0.00 C ATOM 1925 C GLU B 35 150.009 15.175 6.514 1.00 0.00 C ATOM 1926 O GLU B 35 148.880 15.388 6.908 1.00 0.00 O ATOM 1927 CB GLU B 35 151.608 13.767 7.843 1.00 0.00 C ATOM 1928 CG GLU B 35 150.857 14.110 9.133 1.00 0.00 C ATOM 1929 CD GLU B 35 151.830 14.056 10.312 1.00 0.00 C ATOM 1930 OE1 GLU B 35 152.939 13.584 10.118 1.00 0.00 O ATOM 1931 OE2 GLU B 35 151.449 14.481 11.389 1.00 0.00 O ATOM 0 H GLU B 35 152.407 13.299 5.531 1.00 0.00 H new ATOM 0 HA GLU B 35 149.862 13.057 6.802 1.00 0.00 H new ATOM 0 HB2 GLU B 35 152.064 12.781 7.931 1.00 0.00 H new ATOM 0 HB3 GLU B 35 152.418 14.479 7.685 1.00 0.00 H new ATOM 0 HG2 GLU B 35 150.414 15.103 9.057 1.00 0.00 H new ATOM 0 HG3 GLU B 35 150.039 13.407 9.289 1.00 0.00 H new ATOM 1938 N GLU B 36 150.713 16.109 5.945 1.00 0.00 N ATOM 1939 CA GLU B 36 150.143 17.472 5.763 1.00 0.00 C ATOM 1940 C GLU B 36 148.992 17.400 4.761 1.00 0.00 C ATOM 1941 O GLU B 36 148.163 18.284 4.680 1.00 0.00 O ATOM 1942 CB GLU B 36 151.228 18.407 5.226 1.00 0.00 C ATOM 1943 CG GLU B 36 152.243 18.704 6.329 1.00 0.00 C ATOM 1944 CD GLU B 36 151.599 19.608 7.382 1.00 0.00 C ATOM 1945 OE1 GLU B 36 150.652 20.300 7.039 1.00 0.00 O ATOM 1946 OE2 GLU B 36 152.062 19.596 8.510 1.00 0.00 O ATOM 0 H GLU B 36 151.664 15.988 5.596 1.00 0.00 H new ATOM 0 HA GLU B 36 149.777 17.851 6.717 1.00 0.00 H new ATOM 0 HB2 GLU B 36 151.727 17.948 4.373 1.00 0.00 H new ATOM 0 HB3 GLU B 36 150.779 19.335 4.872 1.00 0.00 H new ATOM 0 HG2 GLU B 36 152.580 17.775 6.788 1.00 0.00 H new ATOM 0 HG3 GLU B 36 153.124 19.188 5.907 1.00 0.00 H new ATOM 1953 N ARG B 37 148.954 16.357 3.981 1.00 0.00 N ATOM 1954 CA ARG B 37 147.877 16.225 2.955 1.00 0.00 C ATOM 1955 C ARG B 37 146.674 15.466 3.532 1.00 0.00 C ATOM 1956 O ARG B 37 145.693 15.248 2.848 1.00 0.00 O ATOM 1957 CB ARG B 37 148.431 15.480 1.737 1.00 0.00 C ATOM 1958 CG ARG B 37 149.570 16.288 1.094 1.00 0.00 C ATOM 1959 CD ARG B 37 149.006 17.416 0.220 1.00 0.00 C ATOM 1960 NE ARG B 37 150.115 18.028 -0.563 1.00 0.00 N ATOM 1961 CZ ARG B 37 149.848 18.801 -1.579 1.00 0.00 C ATOM 1962 NH1 ARG B 37 148.609 19.025 -1.921 1.00 0.00 N ATOM 1963 NH2 ARG B 37 150.821 19.349 -2.255 1.00 0.00 N ATOM 0 H ARG B 37 149.623 15.587 4.008 1.00 0.00 H new ATOM 0 HA ARG B 37 147.544 17.219 2.657 1.00 0.00 H new ATOM 0 HB2 ARG B 37 148.796 14.498 2.037 1.00 0.00 H new ATOM 0 HB3 ARG B 37 147.636 15.316 1.010 1.00 0.00 H new ATOM 0 HG2 ARG B 37 150.209 16.708 1.871 1.00 0.00 H new ATOM 0 HG3 ARG B 37 150.194 15.630 0.489 1.00 0.00 H new ATOM 0 HD2 ARG B 37 148.243 17.025 -0.452 1.00 0.00 H new ATOM 0 HD3 ARG B 37 148.525 18.170 0.843 1.00 0.00 H new ATOM 0 HE ARG B 37 151.084 17.843 -0.305 1.00 0.00 H new ATOM 0 HH11 ARG B 37 147.849 18.596 -1.394 1.00 0.00 H new ATOM 0 HH12 ARG B 37 148.401 19.630 -2.716 1.00 0.00 H new ATOM 0 HH21 ARG B 37 151.790 19.173 -1.989 1.00 0.00 H new ATOM 0 HH22 ARG B 37 150.613 19.954 -3.050 1.00 0.00 H new ATOM 1977 N GLY B 38 146.715 15.100 4.795 1.00 0.00 N ATOM 1978 CA GLY B 38 145.538 14.402 5.418 1.00 0.00 C ATOM 1979 C GLY B 38 145.780 12.896 5.569 1.00 0.00 C ATOM 1980 O GLY B 38 144.889 12.170 5.969 1.00 0.00 O ATOM 0 H GLY B 38 147.507 15.253 5.419 1.00 0.00 H new ATOM 0 HA2 GLY B 38 145.335 14.837 6.397 1.00 0.00 H new ATOM 0 HA3 GLY B 38 144.652 14.568 4.805 1.00 0.00 H new ATOM 1984 N PHE B 39 146.959 12.408 5.276 1.00 0.00 N ATOM 1985 CA PHE B 39 147.228 10.938 5.431 1.00 0.00 C ATOM 1986 C PHE B 39 148.080 10.717 6.681 1.00 0.00 C ATOM 1987 O PHE B 39 149.261 10.443 6.600 1.00 0.00 O ATOM 1988 CB PHE B 39 148.000 10.428 4.218 1.00 0.00 C ATOM 1989 CG PHE B 39 147.142 10.534 2.983 1.00 0.00 C ATOM 1990 CD1 PHE B 39 146.317 9.471 2.608 1.00 0.00 C ATOM 1991 CD2 PHE B 39 147.173 11.699 2.216 1.00 0.00 C ATOM 1992 CE1 PHE B 39 145.519 9.575 1.462 1.00 0.00 C ATOM 1993 CE2 PHE B 39 146.378 11.808 1.072 1.00 0.00 C ATOM 1994 CZ PHE B 39 145.550 10.745 0.693 1.00 0.00 C ATOM 0 H PHE B 39 147.748 12.959 4.937 1.00 0.00 H new ATOM 0 HA PHE B 39 146.282 10.404 5.517 1.00 0.00 H new ATOM 0 HB2 PHE B 39 148.914 11.008 4.087 1.00 0.00 H new ATOM 0 HB3 PHE B 39 148.299 9.392 4.376 1.00 0.00 H new ATOM 0 HD1 PHE B 39 146.295 8.569 3.202 1.00 0.00 H new ATOM 0 HD2 PHE B 39 147.813 12.519 2.507 1.00 0.00 H new ATOM 0 HE1 PHE B 39 144.880 8.754 1.172 1.00 0.00 H new ATOM 0 HE2 PHE B 39 146.402 12.712 0.481 1.00 0.00 H new ATOM 0 HZ PHE B 39 144.936 10.827 -0.191 1.00 0.00 H new ATOM 2004 N ASP B 40 147.490 10.842 7.838 1.00 0.00 N ATOM 2005 CA ASP B 40 148.271 10.645 9.090 1.00 0.00 C ATOM 2006 C ASP B 40 148.387 9.150 9.405 1.00 0.00 C ATOM 2007 O ASP B 40 149.157 8.751 10.258 1.00 0.00 O ATOM 2008 CB ASP B 40 147.569 11.361 10.246 1.00 0.00 C ATOM 2009 CG ASP B 40 146.158 10.795 10.419 1.00 0.00 C ATOM 2010 OD1 ASP B 40 145.643 10.240 9.462 1.00 0.00 O ATOM 2011 OD2 ASP B 40 145.618 10.923 11.506 1.00 0.00 O ATOM 0 H ASP B 40 146.505 11.071 7.970 1.00 0.00 H new ATOM 0 HA ASP B 40 149.271 11.059 8.958 1.00 0.00 H new ATOM 0 HB2 ASP B 40 148.139 11.232 11.166 1.00 0.00 H new ATOM 0 HB3 ASP B 40 147.521 12.432 10.048 1.00 0.00 H new ATOM 2016 N LYS B 41 147.621 8.319 8.733 1.00 0.00 N ATOM 2017 CA LYS B 41 147.674 6.842 9.003 1.00 0.00 C ATOM 2018 C LYS B 41 147.825 6.082 7.679 1.00 0.00 C ATOM 2019 O LYS B 41 147.414 6.542 6.632 1.00 0.00 O ATOM 2020 CB LYS B 41 146.376 6.415 9.693 1.00 0.00 C ATOM 2021 CG LYS B 41 146.201 7.182 11.013 1.00 0.00 C ATOM 2022 CD LYS B 41 147.212 6.700 12.061 1.00 0.00 C ATOM 2023 CE LYS B 41 146.801 7.223 13.439 1.00 0.00 C ATOM 2024 NZ LYS B 41 145.568 6.521 13.892 1.00 0.00 N ATOM 0 H LYS B 41 146.960 8.600 8.008 1.00 0.00 H new ATOM 0 HA LYS B 41 148.525 6.616 9.645 1.00 0.00 H new ATOM 0 HB2 LYS B 41 145.527 6.606 9.037 1.00 0.00 H new ATOM 0 HB3 LYS B 41 146.394 5.342 9.887 1.00 0.00 H new ATOM 0 HG2 LYS B 41 146.332 8.250 10.839 1.00 0.00 H new ATOM 0 HG3 LYS B 41 145.187 7.043 11.388 1.00 0.00 H new ATOM 0 HD2 LYS B 41 147.252 5.611 12.070 1.00 0.00 H new ATOM 0 HD3 LYS B 41 148.212 7.054 11.808 1.00 0.00 H new ATOM 0 HE2 LYS B 41 147.607 7.063 14.155 1.00 0.00 H new ATOM 0 HE3 LYS B 41 146.624 8.298 13.393 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 145.530 6.522 14.931 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 144.731 7.010 13.514 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 145.580 5.540 13.547 1.00 0.00 H new ATOM 2038 N ALA B 42 148.442 4.929 7.722 1.00 0.00 N ATOM 2039 CA ALA B 42 148.659 4.132 6.477 1.00 0.00 C ATOM 2040 C ALA B 42 147.335 3.628 5.877 1.00 0.00 C ATOM 2041 O ALA B 42 147.172 3.605 4.673 1.00 0.00 O ATOM 2042 CB ALA B 42 149.546 2.930 6.803 1.00 0.00 C ATOM 0 H ALA B 42 148.808 4.502 8.573 1.00 0.00 H new ATOM 0 HA ALA B 42 149.135 4.781 5.742 1.00 0.00 H new ATOM 0 HB1 ALA B 42 149.709 2.343 5.899 1.00 0.00 H new ATOM 0 HB2 ALA B 42 150.504 3.279 7.187 1.00 0.00 H new ATOM 0 HB3 ALA B 42 149.057 2.310 7.555 1.00 0.00 H new ATOM 2048 N TYR B 43 146.398 3.193 6.682 1.00 0.00 N ATOM 2049 CA TYR B 43 145.123 2.660 6.108 1.00 0.00 C ATOM 2050 C TYR B 43 144.432 3.724 5.245 1.00 0.00 C ATOM 2051 O TYR B 43 143.618 3.403 4.401 1.00 0.00 O ATOM 2052 CB TYR B 43 144.182 2.170 7.219 1.00 0.00 C ATOM 2053 CG TYR B 43 143.735 3.314 8.097 1.00 0.00 C ATOM 2054 CD1 TYR B 43 142.735 4.185 7.654 1.00 0.00 C ATOM 2055 CD2 TYR B 43 144.306 3.490 9.363 1.00 0.00 C ATOM 2056 CE1 TYR B 43 142.307 5.234 8.473 1.00 0.00 C ATOM 2057 CE2 TYR B 43 143.879 4.540 10.182 1.00 0.00 C ATOM 2058 CZ TYR B 43 142.880 5.412 9.737 1.00 0.00 C ATOM 2059 OH TYR B 43 142.458 6.448 10.545 1.00 0.00 O ATOM 0 H TYR B 43 146.458 3.183 7.700 1.00 0.00 H new ATOM 0 HA TYR B 43 145.369 1.808 5.474 1.00 0.00 H new ATOM 0 HB2 TYR B 43 143.312 1.686 6.776 1.00 0.00 H new ATOM 0 HB3 TYR B 43 144.690 1.419 7.825 1.00 0.00 H new ATOM 0 HD1 TYR B 43 142.293 4.047 6.678 1.00 0.00 H new ATOM 0 HD2 TYR B 43 145.076 2.815 9.707 1.00 0.00 H new ATOM 0 HE1 TYR B 43 141.535 5.907 8.130 1.00 0.00 H new ATOM 0 HE2 TYR B 43 144.321 4.678 11.158 1.00 0.00 H new ATOM 0 HH TYR B 43 142.957 6.429 11.388 1.00 0.00 H new ATOM 2069 N VAL B 44 144.760 4.979 5.411 1.00 0.00 N ATOM 2070 CA VAL B 44 144.123 6.023 4.550 1.00 0.00 C ATOM 2071 C VAL B 44 144.834 6.006 3.189 1.00 0.00 C ATOM 2072 O VAL B 44 144.249 6.251 2.150 1.00 0.00 O ATOM 2073 CB VAL B 44 144.273 7.413 5.189 1.00 0.00 C ATOM 2074 CG1 VAL B 44 143.571 8.459 4.318 1.00 0.00 C ATOM 2075 CG2 VAL B 44 143.637 7.421 6.581 1.00 0.00 C ATOM 0 H VAL B 44 145.432 5.325 6.096 1.00 0.00 H new ATOM 0 HA VAL B 44 143.060 5.813 4.437 1.00 0.00 H new ATOM 0 HB VAL B 44 145.334 7.649 5.271 1.00 0.00 H new ATOM 0 HG11 VAL B 44 143.679 9.443 4.773 1.00 0.00 H new ATOM 0 HG12 VAL B 44 144.021 8.467 3.325 1.00 0.00 H new ATOM 0 HG13 VAL B 44 142.513 8.212 4.235 1.00 0.00 H new ATOM 0 HG21 VAL B 44 143.748 8.410 7.026 1.00 0.00 H new ATOM 0 HG22 VAL B 44 142.578 7.177 6.499 1.00 0.00 H new ATOM 0 HG23 VAL B 44 144.132 6.682 7.211 1.00 0.00 H new ATOM 2085 N VAL B 45 146.106 5.702 3.214 1.00 0.00 N ATOM 2086 CA VAL B 45 146.906 5.647 1.956 1.00 0.00 C ATOM 2087 C VAL B 45 146.519 4.380 1.197 1.00 0.00 C ATOM 2088 O VAL B 45 146.392 4.381 -0.012 1.00 0.00 O ATOM 2089 CB VAL B 45 148.399 5.610 2.296 1.00 0.00 C ATOM 2090 CG1 VAL B 45 149.211 5.364 1.021 1.00 0.00 C ATOM 2091 CG2 VAL B 45 148.815 6.945 2.919 1.00 0.00 C ATOM 0 H VAL B 45 146.629 5.487 4.063 1.00 0.00 H new ATOM 0 HA VAL B 45 146.707 6.527 1.344 1.00 0.00 H new ATOM 0 HB VAL B 45 148.588 4.804 3.005 1.00 0.00 H new ATOM 0 HG11 VAL B 45 150.273 5.338 1.265 1.00 0.00 H new ATOM 0 HG12 VAL B 45 148.917 4.412 0.580 1.00 0.00 H new ATOM 0 HG13 VAL B 45 149.022 6.167 0.309 1.00 0.00 H new ATOM 0 HG21 VAL B 45 149.877 6.918 3.161 1.00 0.00 H new ATOM 0 HG22 VAL B 45 148.624 7.752 2.211 1.00 0.00 H new ATOM 0 HG23 VAL B 45 148.240 7.117 3.829 1.00 0.00 H new ATOM 2101 N LEU B 46 146.300 3.305 1.899 1.00 0.00 N ATOM 2102 CA LEU B 46 145.886 2.049 1.220 1.00 0.00 C ATOM 2103 C LEU B 46 144.575 2.317 0.489 1.00 0.00 C ATOM 2104 O LEU B 46 144.334 1.817 -0.591 1.00 0.00 O ATOM 2105 CB LEU B 46 145.684 0.941 2.264 1.00 0.00 C ATOM 2106 CG LEU B 46 145.116 -0.323 1.592 1.00 0.00 C ATOM 2107 CD1 LEU B 46 146.057 -0.791 0.468 1.00 0.00 C ATOM 2108 CD2 LEU B 46 144.942 -1.440 2.637 1.00 0.00 C ATOM 0 H LEU B 46 146.390 3.242 2.913 1.00 0.00 H new ATOM 0 HA LEU B 46 146.652 1.728 0.514 1.00 0.00 H new ATOM 0 HB2 LEU B 46 146.633 0.710 2.748 1.00 0.00 H new ATOM 0 HB3 LEU B 46 145.004 1.285 3.043 1.00 0.00 H new ATOM 0 HG LEU B 46 144.143 -0.089 1.160 1.00 0.00 H new ATOM 0 HD11 LEU B 46 145.647 -1.685 -0.001 1.00 0.00 H new ATOM 0 HD12 LEU B 46 146.154 -0.002 -0.278 1.00 0.00 H new ATOM 0 HD13 LEU B 46 147.038 -1.018 0.886 1.00 0.00 H new ATOM 0 HD21 LEU B 46 144.540 -2.331 2.154 1.00 0.00 H new ATOM 0 HD22 LEU B 46 145.908 -1.674 3.083 1.00 0.00 H new ATOM 0 HD23 LEU B 46 144.254 -1.107 3.414 1.00 0.00 H new ATOM 2120 N GLY B 47 143.720 3.103 1.082 1.00 0.00 N ATOM 2121 CA GLY B 47 142.418 3.412 0.438 1.00 0.00 C ATOM 2122 C GLY B 47 142.663 4.052 -0.928 1.00 0.00 C ATOM 2123 O GLY B 47 141.990 3.750 -1.892 1.00 0.00 O ATOM 0 H GLY B 47 143.870 3.545 1.989 1.00 0.00 H new ATOM 0 HA2 GLY B 47 141.831 2.500 0.324 1.00 0.00 H new ATOM 0 HA3 GLY B 47 141.839 4.087 1.069 1.00 0.00 H new ATOM 2127 N GLN B 48 143.625 4.933 -1.024 1.00 0.00 N ATOM 2128 CA GLN B 48 143.912 5.581 -2.338 1.00 0.00 C ATOM 2129 C GLN B 48 144.289 4.505 -3.366 1.00 0.00 C ATOM 2130 O GLN B 48 143.820 4.510 -4.485 1.00 0.00 O ATOM 2131 CB GLN B 48 145.077 6.564 -2.173 1.00 0.00 C ATOM 2132 CG GLN B 48 145.286 7.347 -3.473 1.00 0.00 C ATOM 2133 CD GLN B 48 144.083 8.260 -3.716 1.00 0.00 C ATOM 2134 OE1 GLN B 48 143.535 8.877 -2.705 1.00 0.00 O flip ATOM 2135 NE2 GLN B 48 143.638 8.414 -4.836 1.00 0.00 N flip ATOM 0 H GLN B 48 144.222 5.231 -0.252 1.00 0.00 H new ATOM 0 HA GLN B 48 143.028 6.118 -2.684 1.00 0.00 H new ATOM 0 HB2 GLN B 48 144.871 7.252 -1.353 1.00 0.00 H new ATOM 0 HB3 GLN B 48 145.987 6.023 -1.914 1.00 0.00 H new ATOM 0 HG2 GLN B 48 146.199 7.939 -3.411 1.00 0.00 H new ATOM 0 HG3 GLN B 48 145.409 6.659 -4.309 1.00 0.00 H new ATOM 0 HE21 GLN B 48 144.067 7.932 -5.626 1.00 0.00 H new ATOM 0 HE22 GLN B 48 142.836 9.026 -4.986 1.00 0.00 H new ATOM 2144 N PHE B 49 145.133 3.584 -2.988 1.00 0.00 N ATOM 2145 CA PHE B 49 145.549 2.502 -3.928 1.00 0.00 C ATOM 2146 C PHE B 49 144.306 1.716 -4.355 1.00 0.00 C ATOM 2147 O PHE B 49 144.156 1.334 -5.499 1.00 0.00 O ATOM 2148 CB PHE B 49 146.544 1.582 -3.209 1.00 0.00 C ATOM 2149 CG PHE B 49 147.007 0.476 -4.131 1.00 0.00 C ATOM 2150 CD1 PHE B 49 147.892 0.765 -5.177 1.00 0.00 C ATOM 2151 CD2 PHE B 49 146.574 -0.841 -3.926 1.00 0.00 C ATOM 2152 CE1 PHE B 49 148.341 -0.259 -6.019 1.00 0.00 C ATOM 2153 CE2 PHE B 49 147.022 -1.864 -4.769 1.00 0.00 C ATOM 2154 CZ PHE B 49 147.907 -1.574 -5.815 1.00 0.00 C ATOM 0 H PHE B 49 145.556 3.534 -2.061 1.00 0.00 H new ATOM 0 HA PHE B 49 146.026 2.921 -4.814 1.00 0.00 H new ATOM 0 HB2 PHE B 49 147.402 2.161 -2.867 1.00 0.00 H new ATOM 0 HB3 PHE B 49 146.076 1.153 -2.323 1.00 0.00 H new ATOM 0 HD1 PHE B 49 148.228 1.779 -5.334 1.00 0.00 H new ATOM 0 HD2 PHE B 49 145.895 -1.066 -3.117 1.00 0.00 H new ATOM 0 HE1 PHE B 49 149.022 -0.034 -6.826 1.00 0.00 H new ATOM 0 HE2 PHE B 49 146.685 -2.878 -4.613 1.00 0.00 H new ATOM 0 HZ PHE B 49 148.254 -2.364 -6.464 1.00 0.00 H new ATOM 2164 N LEU B 50 143.420 1.478 -3.438 1.00 0.00 N ATOM 2165 CA LEU B 50 142.184 0.717 -3.782 1.00 0.00 C ATOM 2166 C LEU B 50 141.313 1.572 -4.713 1.00 0.00 C ATOM 2167 O LEU B 50 140.699 1.073 -5.635 1.00 0.00 O ATOM 2168 CB LEU B 50 141.411 0.390 -2.499 1.00 0.00 C ATOM 2169 CG LEU B 50 142.184 -0.650 -1.668 1.00 0.00 C ATOM 2170 CD1 LEU B 50 141.518 -0.795 -0.293 1.00 0.00 C ATOM 2171 CD2 LEU B 50 142.198 -2.015 -2.389 1.00 0.00 C ATOM 0 H LEU B 50 143.493 1.775 -2.465 1.00 0.00 H new ATOM 0 HA LEU B 50 142.449 -0.213 -4.284 1.00 0.00 H new ATOM 0 HB2 LEU B 50 141.262 1.297 -1.913 1.00 0.00 H new ATOM 0 HB3 LEU B 50 140.422 0.006 -2.749 1.00 0.00 H new ATOM 0 HG LEU B 50 143.213 -0.313 -1.545 1.00 0.00 H new ATOM 0 HD11 LEU B 50 142.062 -1.531 0.299 1.00 0.00 H new ATOM 0 HD12 LEU B 50 141.531 0.166 0.221 1.00 0.00 H new ATOM 0 HD13 LEU B 50 140.487 -1.124 -0.421 1.00 0.00 H new ATOM 0 HD21 LEU B 50 142.749 -2.738 -1.788 1.00 0.00 H new ATOM 0 HD22 LEU B 50 141.175 -2.363 -2.529 1.00 0.00 H new ATOM 0 HD23 LEU B 50 142.681 -1.908 -3.360 1.00 0.00 H new ATOM 2183 N VAL B 51 141.242 2.851 -4.467 1.00 0.00 N ATOM 2184 CA VAL B 51 140.398 3.742 -5.323 1.00 0.00 C ATOM 2185 C VAL B 51 140.975 3.831 -6.747 1.00 0.00 C ATOM 2186 O VAL B 51 140.263 4.090 -7.696 1.00 0.00 O ATOM 2187 CB VAL B 51 140.331 5.138 -4.688 1.00 0.00 C ATOM 2188 CG1 VAL B 51 139.721 6.138 -5.675 1.00 0.00 C ATOM 2189 CG2 VAL B 51 139.457 5.074 -3.433 1.00 0.00 C ATOM 0 H VAL B 51 141.733 3.322 -3.707 1.00 0.00 H new ATOM 0 HA VAL B 51 139.393 3.325 -5.391 1.00 0.00 H new ATOM 0 HB VAL B 51 141.339 5.463 -4.429 1.00 0.00 H new ATOM 0 HG11 VAL B 51 139.678 7.125 -5.214 1.00 0.00 H new ATOM 0 HG12 VAL B 51 140.336 6.184 -6.574 1.00 0.00 H new ATOM 0 HG13 VAL B 51 138.714 5.818 -5.941 1.00 0.00 H new ATOM 0 HG21 VAL B 51 139.404 6.062 -2.976 1.00 0.00 H new ATOM 0 HG22 VAL B 51 138.454 4.746 -3.705 1.00 0.00 H new ATOM 0 HG23 VAL B 51 139.890 4.369 -2.724 1.00 0.00 H new ATOM 2199 N LEU B 52 142.255 3.619 -6.905 1.00 0.00 N ATOM 2200 CA LEU B 52 142.865 3.696 -8.273 1.00 0.00 C ATOM 2201 C LEU B 52 142.799 2.320 -8.939 1.00 0.00 C ATOM 2202 O LEU B 52 143.485 2.062 -9.908 1.00 0.00 O ATOM 2203 CB LEU B 52 144.330 4.133 -8.175 1.00 0.00 C ATOM 2204 CG LEU B 52 144.432 5.541 -7.571 1.00 0.00 C ATOM 2205 CD1 LEU B 52 145.912 5.912 -7.435 1.00 0.00 C ATOM 2206 CD2 LEU B 52 143.726 6.566 -8.481 1.00 0.00 C ATOM 0 H LEU B 52 142.905 3.396 -6.152 1.00 0.00 H new ATOM 0 HA LEU B 52 142.311 4.424 -8.865 1.00 0.00 H new ATOM 0 HB2 LEU B 52 144.886 3.426 -7.560 1.00 0.00 H new ATOM 0 HB3 LEU B 52 144.786 4.122 -9.165 1.00 0.00 H new ATOM 0 HG LEU B 52 143.949 5.552 -6.594 1.00 0.00 H new ATOM 0 HD11 LEU B 52 145.999 6.911 -7.007 1.00 0.00 H new ATOM 0 HD12 LEU B 52 146.409 5.193 -6.783 1.00 0.00 H new ATOM 0 HD13 LEU B 52 146.383 5.896 -8.418 1.00 0.00 H new ATOM 0 HD21 LEU B 52 143.806 7.560 -8.040 1.00 0.00 H new ATOM 0 HD22 LEU B 52 144.198 6.566 -9.464 1.00 0.00 H new ATOM 0 HD23 LEU B 52 142.674 6.298 -8.583 1.00 0.00 H new ATOM 2218 N LYS B 53 141.984 1.436 -8.438 1.00 0.00 N ATOM 2219 CA LYS B 53 141.885 0.083 -9.054 1.00 0.00 C ATOM 2220 C LYS B 53 143.285 -0.514 -9.236 1.00 0.00 C ATOM 2221 O LYS B 53 143.537 -1.241 -10.175 1.00 0.00 O ATOM 2222 CB LYS B 53 141.205 0.190 -10.422 1.00 0.00 C ATOM 2223 CG LYS B 53 139.798 0.771 -10.261 1.00 0.00 C ATOM 2224 CD LYS B 53 139.131 0.872 -11.636 1.00 0.00 C ATOM 2225 CE LYS B 53 137.724 1.452 -11.489 1.00 0.00 C ATOM 2226 NZ LYS B 53 136.903 0.555 -10.628 1.00 0.00 N ATOM 0 H LYS B 53 141.382 1.591 -7.629 1.00 0.00 H new ATOM 0 HA LYS B 53 141.299 -0.561 -8.399 1.00 0.00 H new ATOM 0 HB2 LYS B 53 141.796 0.824 -11.083 1.00 0.00 H new ATOM 0 HB3 LYS B 53 141.150 -0.794 -10.889 1.00 0.00 H new ATOM 0 HG2 LYS B 53 139.204 0.138 -9.602 1.00 0.00 H new ATOM 0 HG3 LYS B 53 139.850 1.756 -9.796 1.00 0.00 H new ATOM 0 HD2 LYS B 53 139.728 1.504 -12.294 1.00 0.00 H new ATOM 0 HD3 LYS B 53 139.081 -0.113 -12.099 1.00 0.00 H new ATOM 0 HE2 LYS B 53 137.774 2.449 -11.050 1.00 0.00 H new ATOM 0 HE3 LYS B 53 137.259 1.558 -12.469 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 135.924 0.904 -10.597 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 136.915 -0.408 -11.020 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 137.296 0.542 -9.665 1.00 0.00 H new ATOM 2240 N LYS B 54 144.194 -0.215 -8.338 1.00 0.00 N ATOM 2241 CA LYS B 54 145.585 -0.759 -8.425 1.00 0.00 C ATOM 2242 C LYS B 54 146.258 -0.304 -9.725 1.00 0.00 C ATOM 2243 O LYS B 54 147.229 -0.891 -10.158 1.00 0.00 O ATOM 2244 CB LYS B 54 145.544 -2.289 -8.386 1.00 0.00 C ATOM 2245 CG LYS B 54 144.674 -2.743 -7.213 1.00 0.00 C ATOM 2246 CD LYS B 54 144.828 -4.254 -7.009 1.00 0.00 C ATOM 2247 CE LYS B 54 144.393 -5.004 -8.275 1.00 0.00 C ATOM 2248 NZ LYS B 54 145.530 -5.049 -9.238 1.00 0.00 N ATOM 0 H LYS B 54 144.027 0.393 -7.536 1.00 0.00 H new ATOM 0 HA LYS B 54 146.159 -0.383 -7.578 1.00 0.00 H new ATOM 0 HB2 LYS B 54 145.143 -2.677 -9.322 1.00 0.00 H new ATOM 0 HB3 LYS B 54 146.553 -2.688 -8.281 1.00 0.00 H new ATOM 0 HG2 LYS B 54 144.964 -2.213 -6.306 1.00 0.00 H new ATOM 0 HG3 LYS B 54 143.630 -2.497 -7.406 1.00 0.00 H new ATOM 0 HD2 LYS B 54 145.865 -4.493 -6.773 1.00 0.00 H new ATOM 0 HD3 LYS B 54 144.226 -4.578 -6.160 1.00 0.00 H new ATOM 0 HE2 LYS B 54 144.077 -6.016 -8.021 1.00 0.00 H new ATOM 0 HE3 LYS B 54 143.536 -4.507 -8.730 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 145.335 -4.410 -10.035 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 146.403 -4.749 -8.759 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 145.646 -6.020 -9.593 1.00 0.00 H new ATOM 2262 N ASP B 55 145.783 0.741 -10.341 1.00 0.00 N ATOM 2263 CA ASP B 55 146.451 1.212 -11.590 1.00 0.00 C ATOM 2264 C ASP B 55 147.853 1.711 -11.213 1.00 0.00 C ATOM 2265 O ASP B 55 148.006 2.664 -10.474 1.00 0.00 O ATOM 2266 CB ASP B 55 145.629 2.353 -12.189 1.00 0.00 C ATOM 2267 CG ASP B 55 144.424 1.784 -12.942 1.00 0.00 C ATOM 2268 OD1 ASP B 55 144.580 0.753 -13.577 1.00 0.00 O ATOM 2269 OD2 ASP B 55 143.366 2.386 -12.867 1.00 0.00 O ATOM 0 H ASP B 55 144.973 1.284 -10.041 1.00 0.00 H new ATOM 0 HA ASP B 55 146.528 0.409 -12.323 1.00 0.00 H new ATOM 0 HB2 ASP B 55 145.292 3.024 -11.399 1.00 0.00 H new ATOM 0 HB3 ASP B 55 146.247 2.942 -12.866 1.00 0.00 H new ATOM 2274 N GLU B 56 148.877 1.050 -11.690 1.00 0.00 N ATOM 2275 CA GLU B 56 150.278 1.445 -11.339 1.00 0.00 C ATOM 2276 C GLU B 56 150.645 2.840 -11.869 1.00 0.00 C ATOM 2277 O GLU B 56 151.294 3.609 -11.197 1.00 0.00 O ATOM 2278 CB GLU B 56 151.237 0.407 -11.934 1.00 0.00 C ATOM 2279 CG GLU B 56 152.684 0.732 -11.542 1.00 0.00 C ATOM 2280 CD GLU B 56 153.617 -0.326 -12.135 1.00 0.00 C ATOM 2281 OE1 GLU B 56 153.116 -1.254 -12.747 1.00 0.00 O ATOM 2282 OE2 GLU B 56 154.818 -0.191 -11.963 1.00 0.00 O ATOM 0 H GLU B 56 148.803 0.246 -12.313 1.00 0.00 H new ATOM 0 HA GLU B 56 150.358 1.482 -10.253 1.00 0.00 H new ATOM 0 HB2 GLU B 56 150.972 -0.589 -11.579 1.00 0.00 H new ATOM 0 HB3 GLU B 56 151.141 0.394 -13.020 1.00 0.00 H new ATOM 0 HG2 GLU B 56 152.959 1.722 -11.907 1.00 0.00 H new ATOM 0 HG3 GLU B 56 152.783 0.754 -10.457 1.00 0.00 H new ATOM 2289 N ASP B 57 150.258 3.173 -13.067 1.00 0.00 N ATOM 2290 CA ASP B 57 150.626 4.515 -13.613 1.00 0.00 C ATOM 2291 C ASP B 57 149.871 5.605 -12.858 1.00 0.00 C ATOM 2292 O ASP B 57 150.410 6.649 -12.546 1.00 0.00 O ATOM 2293 CB ASP B 57 150.255 4.576 -15.097 1.00 0.00 C ATOM 2294 CG ASP B 57 151.187 3.666 -15.898 1.00 0.00 C ATOM 2295 OD1 ASP B 57 152.291 3.430 -15.437 1.00 0.00 O ATOM 2296 OD2 ASP B 57 150.779 3.216 -16.956 1.00 0.00 O ATOM 0 H ASP B 57 149.707 2.582 -13.690 1.00 0.00 H new ATOM 0 HA ASP B 57 151.698 4.672 -13.494 1.00 0.00 H new ATOM 0 HB2 ASP B 57 149.219 4.265 -15.236 1.00 0.00 H new ATOM 0 HB3 ASP B 57 150.332 5.601 -15.459 1.00 0.00 H new ATOM 2301 N LEU B 58 148.640 5.368 -12.554 1.00 0.00 N ATOM 2302 CA LEU B 58 147.865 6.392 -11.806 1.00 0.00 C ATOM 2303 C LEU B 58 148.395 6.476 -10.374 1.00 0.00 C ATOM 2304 O LEU B 58 148.532 7.547 -9.815 1.00 0.00 O ATOM 2305 CB LEU B 58 146.379 6.022 -11.789 1.00 0.00 C ATOM 2306 CG LEU B 58 145.833 5.942 -13.223 1.00 0.00 C ATOM 2307 CD1 LEU B 58 144.349 5.564 -13.176 1.00 0.00 C ATOM 2308 CD2 LEU B 58 145.992 7.299 -13.932 1.00 0.00 C ATOM 0 H LEU B 58 148.131 4.515 -12.787 1.00 0.00 H new ATOM 0 HA LEU B 58 147.978 7.359 -12.296 1.00 0.00 H new ATOM 0 HB2 LEU B 58 146.241 5.065 -11.286 1.00 0.00 H new ATOM 0 HB3 LEU B 58 145.819 6.764 -11.220 1.00 0.00 H new ATOM 0 HG LEU B 58 146.393 5.188 -13.776 1.00 0.00 H new ATOM 0 HD11 LEU B 58 143.956 5.506 -14.191 1.00 0.00 H new ATOM 0 HD12 LEU B 58 144.235 4.597 -12.687 1.00 0.00 H new ATOM 0 HD13 LEU B 58 143.798 6.320 -12.617 1.00 0.00 H new ATOM 0 HD21 LEU B 58 145.601 7.227 -14.947 1.00 0.00 H new ATOM 0 HD22 LEU B 58 145.440 8.063 -13.384 1.00 0.00 H new ATOM 0 HD23 LEU B 58 147.047 7.569 -13.968 1.00 0.00 H new ATOM 2320 N PHE B 59 148.714 5.357 -9.782 1.00 0.00 N ATOM 2321 CA PHE B 59 149.258 5.379 -8.395 1.00 0.00 C ATOM 2322 C PHE B 59 150.616 6.088 -8.385 1.00 0.00 C ATOM 2323 O PHE B 59 150.866 6.963 -7.580 1.00 0.00 O ATOM 2324 CB PHE B 59 149.411 3.946 -7.876 1.00 0.00 C ATOM 2325 CG PHE B 59 150.099 3.964 -6.527 1.00 0.00 C ATOM 2326 CD1 PHE B 59 149.391 4.360 -5.384 1.00 0.00 C ATOM 2327 CD2 PHE B 59 151.443 3.579 -6.419 1.00 0.00 C ATOM 2328 CE1 PHE B 59 150.028 4.373 -4.135 1.00 0.00 C ATOM 2329 CE2 PHE B 59 152.078 3.593 -5.171 1.00 0.00 C ATOM 2330 CZ PHE B 59 151.370 3.990 -4.029 1.00 0.00 C ATOM 0 H PHE B 59 148.622 4.430 -10.198 1.00 0.00 H new ATOM 0 HA PHE B 59 148.569 5.920 -7.746 1.00 0.00 H new ATOM 0 HB2 PHE B 59 148.433 3.473 -7.790 1.00 0.00 H new ATOM 0 HB3 PHE B 59 149.991 3.353 -8.583 1.00 0.00 H new ATOM 0 HD1 PHE B 59 148.355 4.655 -5.465 1.00 0.00 H new ATOM 0 HD2 PHE B 59 151.989 3.272 -7.299 1.00 0.00 H new ATOM 0 HE1 PHE B 59 149.483 4.679 -3.254 1.00 0.00 H new ATOM 0 HE2 PHE B 59 153.114 3.298 -5.089 1.00 0.00 H new ATOM 0 HZ PHE B 59 151.860 4.000 -3.067 1.00 0.00 H new ATOM 2340 N ARG B 60 151.502 5.698 -9.266 1.00 0.00 N ATOM 2341 CA ARG B 60 152.854 6.329 -9.299 1.00 0.00 C ATOM 2342 C ARG B 60 152.745 7.833 -9.562 1.00 0.00 C ATOM 2343 O ARG B 60 153.375 8.629 -8.895 1.00 0.00 O ATOM 2344 CB ARG B 60 153.695 5.672 -10.397 1.00 0.00 C ATOM 2345 CG ARG B 60 154.047 4.239 -9.986 1.00 0.00 C ATOM 2346 CD ARG B 60 154.886 3.581 -11.083 1.00 0.00 C ATOM 2347 NE ARG B 60 156.208 4.261 -11.172 1.00 0.00 N ATOM 2348 CZ ARG B 60 157.185 3.704 -11.834 1.00 0.00 C ATOM 2349 NH1 ARG B 60 156.998 2.558 -12.431 1.00 0.00 N ATOM 2350 NH2 ARG B 60 158.347 4.293 -11.903 1.00 0.00 N ATOM 0 H ARG B 60 151.347 4.970 -9.963 1.00 0.00 H new ATOM 0 HA ARG B 60 153.332 6.183 -8.330 1.00 0.00 H new ATOM 0 HB2 ARG B 60 153.144 5.666 -11.337 1.00 0.00 H new ATOM 0 HB3 ARG B 60 154.606 6.247 -10.565 1.00 0.00 H new ATOM 0 HG2 ARG B 60 154.599 4.245 -9.046 1.00 0.00 H new ATOM 0 HG3 ARG B 60 153.136 3.664 -9.817 1.00 0.00 H new ATOM 0 HD2 ARG B 60 155.024 2.522 -10.864 1.00 0.00 H new ATOM 0 HD3 ARG B 60 154.367 3.644 -12.040 1.00 0.00 H new ATOM 0 HE ARG B 60 156.350 5.162 -10.716 1.00 0.00 H new ATOM 0 HH11 ARG B 60 156.089 2.099 -12.380 1.00 0.00 H new ATOM 0 HH12 ARG B 60 157.761 2.122 -12.949 1.00 0.00 H new ATOM 0 HH21 ARG B 60 158.493 5.190 -11.439 1.00 0.00 H new ATOM 0 HH22 ARG B 60 159.110 3.857 -12.421 1.00 0.00 H new ATOM 2364 N GLU B 61 151.957 8.238 -10.523 1.00 0.00 N ATOM 2365 CA GLU B 61 151.827 9.696 -10.806 1.00 0.00 C ATOM 2366 C GLU B 61 151.234 10.384 -9.578 1.00 0.00 C ATOM 2367 O GLU B 61 151.582 11.501 -9.249 1.00 0.00 O ATOM 2368 CB GLU B 61 150.890 9.906 -11.999 1.00 0.00 C ATOM 2369 CG GLU B 61 150.789 11.401 -12.323 1.00 0.00 C ATOM 2370 CD GLU B 61 149.853 11.604 -13.515 1.00 0.00 C ATOM 2371 OE1 GLU B 61 149.471 10.616 -14.119 1.00 0.00 O ATOM 2372 OE2 GLU B 61 149.533 12.746 -13.804 1.00 0.00 O ATOM 0 H GLU B 61 151.401 7.626 -11.120 1.00 0.00 H new ATOM 0 HA GLU B 61 152.807 10.115 -11.036 1.00 0.00 H new ATOM 0 HB2 GLU B 61 151.263 9.361 -12.866 1.00 0.00 H new ATOM 0 HB3 GLU B 61 149.902 9.506 -11.772 1.00 0.00 H new ATOM 0 HG2 GLU B 61 150.415 11.947 -11.457 1.00 0.00 H new ATOM 0 HG3 GLU B 61 151.777 11.802 -12.551 1.00 0.00 H new ATOM 2379 N TRP B 62 150.341 9.726 -8.904 1.00 0.00 N ATOM 2380 CA TRP B 62 149.718 10.339 -7.701 1.00 0.00 C ATOM 2381 C TRP B 62 150.757 10.572 -6.601 1.00 0.00 C ATOM 2382 O TRP B 62 150.804 11.622 -5.997 1.00 0.00 O ATOM 2383 CB TRP B 62 148.618 9.413 -7.160 1.00 0.00 C ATOM 2384 CG TRP B 62 148.160 9.905 -5.819 1.00 0.00 C ATOM 2385 CD1 TRP B 62 147.233 10.867 -5.610 1.00 0.00 C ATOM 2386 CD2 TRP B 62 148.625 9.490 -4.500 1.00 0.00 C ATOM 2387 NE1 TRP B 62 147.088 11.060 -4.245 1.00 0.00 N ATOM 2388 CE2 TRP B 62 147.926 10.233 -3.520 1.00 0.00 C ATOM 2389 CE3 TRP B 62 149.573 8.544 -4.065 1.00 0.00 C ATOM 2390 CZ2 TRP B 62 148.161 10.045 -2.154 1.00 0.00 C ATOM 2391 CZ3 TRP B 62 149.809 8.353 -2.695 1.00 0.00 C ATOM 2392 CH2 TRP B 62 149.106 9.101 -1.742 1.00 0.00 C ATOM 0 H TRP B 62 150.013 8.788 -9.133 1.00 0.00 H new ATOM 0 HA TRP B 62 149.293 11.300 -7.992 1.00 0.00 H new ATOM 0 HB2 TRP B 62 147.778 9.385 -7.854 1.00 0.00 H new ATOM 0 HB3 TRP B 62 148.996 8.394 -7.075 1.00 0.00 H new ATOM 0 HD1 TRP B 62 146.694 11.398 -6.380 1.00 0.00 H new ATOM 0 HE1 TRP B 62 146.442 11.730 -3.827 1.00 0.00 H new ATOM 0 HE3 TRP B 62 150.122 7.962 -4.790 1.00 0.00 H new ATOM 0 HZ2 TRP B 62 147.617 10.625 -1.423 1.00 0.00 H new ATOM 0 HZ3 TRP B 62 150.538 7.624 -2.373 1.00 0.00 H new ATOM 0 HH2 TRP B 62 149.294 8.948 -0.689 1.00 0.00 H new ATOM 2403 N LEU B 63 151.577 9.603 -6.325 1.00 0.00 N ATOM 2404 CA LEU B 63 152.587 9.783 -5.249 1.00 0.00 C ATOM 2405 C LEU B 63 153.660 10.784 -5.689 1.00 0.00 C ATOM 2406 O LEU B 63 153.978 11.717 -4.979 1.00 0.00 O ATOM 2407 CB LEU B 63 153.224 8.426 -4.925 1.00 0.00 C ATOM 2408 CG LEU B 63 154.272 8.577 -3.812 1.00 0.00 C ATOM 2409 CD1 LEU B 63 153.616 9.121 -2.531 1.00 0.00 C ATOM 2410 CD2 LEU B 63 154.895 7.206 -3.529 1.00 0.00 C ATOM 0 H LEU B 63 151.593 8.698 -6.794 1.00 0.00 H new ATOM 0 HA LEU B 63 152.100 10.176 -4.357 1.00 0.00 H new ATOM 0 HB2 LEU B 63 152.453 7.721 -4.614 1.00 0.00 H new ATOM 0 HB3 LEU B 63 153.691 8.014 -5.819 1.00 0.00 H new ATOM 0 HG LEU B 63 155.042 9.278 -4.133 1.00 0.00 H new ATOM 0 HD11 LEU B 63 154.370 9.223 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU B 63 153.171 10.095 -2.735 1.00 0.00 H new ATOM 0 HD13 LEU B 63 152.841 8.431 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU B 63 155.641 7.301 -2.740 1.00 0.00 H new ATOM 0 HD22 LEU B 63 154.117 6.512 -3.211 1.00 0.00 H new ATOM 0 HD23 LEU B 63 155.371 6.829 -4.434 1.00 0.00 H new ATOM 2422 N LYS B 64 154.229 10.594 -6.847 1.00 0.00 N ATOM 2423 CA LYS B 64 155.287 11.531 -7.325 1.00 0.00 C ATOM 2424 C LYS B 64 154.721 12.947 -7.437 1.00 0.00 C ATOM 2425 O LYS B 64 155.319 13.906 -6.993 1.00 0.00 O ATOM 2426 CB LYS B 64 155.813 11.072 -8.690 1.00 0.00 C ATOM 2427 CG LYS B 64 156.914 12.026 -9.168 1.00 0.00 C ATOM 2428 CD LYS B 64 157.473 11.534 -10.501 1.00 0.00 C ATOM 2429 CE LYS B 64 158.594 12.468 -10.961 1.00 0.00 C ATOM 2430 NZ LYS B 64 159.637 12.549 -9.899 1.00 0.00 N ATOM 0 H LYS B 64 154.007 9.829 -7.485 1.00 0.00 H new ATOM 0 HA LYS B 64 156.108 11.533 -6.608 1.00 0.00 H new ATOM 0 HB2 LYS B 64 156.204 10.057 -8.617 1.00 0.00 H new ATOM 0 HB3 LYS B 64 154.999 11.048 -9.415 1.00 0.00 H new ATOM 0 HG2 LYS B 64 156.513 13.034 -9.280 1.00 0.00 H new ATOM 0 HG3 LYS B 64 157.710 12.080 -8.426 1.00 0.00 H new ATOM 0 HD2 LYS B 64 157.853 10.518 -10.395 1.00 0.00 H new ATOM 0 HD3 LYS B 64 156.682 11.502 -11.250 1.00 0.00 H new ATOM 0 HE2 LYS B 64 159.032 12.100 -11.889 1.00 0.00 H new ATOM 0 HE3 LYS B 64 158.193 13.460 -11.169 1.00 0.00 H new ATOM 0 HZ1 LYS B 64 160.542 12.837 -10.323 1.00 0.00 H new ATOM 0 HZ2 LYS B 64 159.351 13.248 -9.184 1.00 0.00 H new ATOM 0 HZ3 LYS B 64 159.747 11.618 -9.448 1.00 0.00 H new ATOM 2444 N ASP B 65 153.572 13.083 -8.036 1.00 0.00 N ATOM 2445 CA ASP B 65 152.962 14.433 -8.189 1.00 0.00 C ATOM 2446 C ASP B 65 152.512 14.955 -6.824 1.00 0.00 C ATOM 2447 O ASP B 65 152.431 16.147 -6.600 1.00 0.00 O ATOM 2448 CB ASP B 65 151.754 14.347 -9.126 1.00 0.00 C ATOM 2449 CG ASP B 65 151.290 15.758 -9.494 1.00 0.00 C ATOM 2450 OD1 ASP B 65 150.895 16.484 -8.597 1.00 0.00 O ATOM 2451 OD2 ASP B 65 151.338 16.089 -10.667 1.00 0.00 O ATOM 0 H ASP B 65 153.027 12.315 -8.428 1.00 0.00 H new ATOM 0 HA ASP B 65 153.701 15.115 -8.610 1.00 0.00 H new ATOM 0 HB2 ASP B 65 152.018 13.793 -10.027 1.00 0.00 H new ATOM 0 HB3 ASP B 65 150.944 13.801 -8.643 1.00 0.00 H new ATOM 2456 N THR B 66 152.187 14.072 -5.917 1.00 0.00 N ATOM 2457 CA THR B 66 151.707 14.516 -4.576 1.00 0.00 C ATOM 2458 C THR B 66 152.871 14.897 -3.654 1.00 0.00 C ATOM 2459 O THR B 66 152.715 15.765 -2.818 1.00 0.00 O ATOM 2460 CB THR B 66 150.885 13.397 -3.926 1.00 0.00 C ATOM 2461 OG1 THR B 66 149.697 13.192 -4.676 1.00 0.00 O ATOM 2462 CG2 THR B 66 150.515 13.791 -2.494 1.00 0.00 C ATOM 0 H THR B 66 152.233 13.061 -6.047 1.00 0.00 H new ATOM 0 HA THR B 66 151.088 15.401 -4.720 1.00 0.00 H new ATOM 0 HB THR B 66 151.475 12.480 -3.908 1.00 0.00 H new ATOM 0 HG1 THR B 66 149.788 12.380 -5.217 1.00 0.00 H new ATOM 0 HG21 THR B 66 149.931 12.993 -2.036 1.00 0.00 H new ATOM 0 HG22 THR B 66 151.424 13.953 -1.915 1.00 0.00 H new ATOM 0 HG23 THR B 66 149.926 14.708 -2.510 1.00 0.00 H new ATOM 2470 N CYS B 67 154.020 14.256 -3.746 1.00 0.00 N ATOM 2471 CA CYS B 67 155.147 14.597 -2.810 1.00 0.00 C ATOM 2472 C CYS B 67 156.467 14.810 -3.553 1.00 0.00 C ATOM 2473 O CYS B 67 157.324 15.544 -3.100 1.00 0.00 O ATOM 2474 CB CYS B 67 155.325 13.453 -1.811 1.00 0.00 C ATOM 2475 SG CYS B 67 155.787 11.943 -2.694 1.00 0.00 S ATOM 0 H CYS B 67 154.224 13.519 -4.422 1.00 0.00 H new ATOM 0 HA CYS B 67 154.891 15.528 -2.304 1.00 0.00 H new ATOM 0 HB2 CYS B 67 156.094 13.710 -1.082 1.00 0.00 H new ATOM 0 HB3 CYS B 67 154.400 13.294 -1.257 1.00 0.00 H new ATOM 0 HG CYS B 67 155.244 11.948 -3.875 1.00 0.00 H new ATOM 2481 N GLY B 68 156.652 14.166 -4.679 1.00 0.00 N ATOM 2482 CA GLY B 68 157.932 14.320 -5.445 1.00 0.00 C ATOM 2483 C GLY B 68 158.773 13.052 -5.280 1.00 0.00 C ATOM 2484 O GLY B 68 159.948 13.034 -5.587 1.00 0.00 O ATOM 0 H GLY B 68 155.970 13.537 -5.104 1.00 0.00 H new ATOM 0 HA2 GLY B 68 157.720 14.495 -6.500 1.00 0.00 H new ATOM 0 HA3 GLY B 68 158.485 15.187 -5.083 1.00 0.00 H new ATOM 2488 N ALA B 69 158.186 11.987 -4.800 1.00 0.00 N ATOM 2489 CA ALA B 69 158.963 10.727 -4.627 1.00 0.00 C ATOM 2490 C ALA B 69 159.673 10.397 -5.938 1.00 0.00 C ATOM 2491 O ALA B 69 159.238 10.787 -7.003 1.00 0.00 O ATOM 2492 CB ALA B 69 158.020 9.582 -4.252 1.00 0.00 C ATOM 0 H ALA B 69 157.206 11.936 -4.522 1.00 0.00 H new ATOM 0 HA ALA B 69 159.697 10.857 -3.831 1.00 0.00 H new ATOM 0 HB1 ALA B 69 158.594 8.664 -4.127 1.00 0.00 H new ATOM 0 HB2 ALA B 69 157.510 9.821 -3.319 1.00 0.00 H new ATOM 0 HB3 ALA B 69 157.283 9.444 -5.043 1.00 0.00 H new ATOM 2498 N ASN B 70 160.771 9.694 -5.876 1.00 0.00 N ATOM 2499 CA ASN B 70 161.518 9.359 -7.124 1.00 0.00 C ATOM 2500 C ASN B 70 161.024 8.030 -7.696 1.00 0.00 C ATOM 2501 O ASN B 70 160.252 7.321 -7.084 1.00 0.00 O ATOM 2502 CB ASN B 70 163.009 9.244 -6.801 1.00 0.00 C ATOM 2503 CG ASN B 70 163.551 10.618 -6.406 1.00 0.00 C ATOM 2504 OD1 ASN B 70 164.129 10.775 -5.350 1.00 0.00 O ATOM 2505 ND2 ASN B 70 163.388 11.627 -7.217 1.00 0.00 N ATOM 0 H ASN B 70 161.184 9.336 -5.015 1.00 0.00 H new ATOM 0 HA ASN B 70 161.353 10.146 -7.860 1.00 0.00 H new ATOM 0 HB2 ASN B 70 163.163 8.533 -5.989 1.00 0.00 H new ATOM 0 HB3 ASN B 70 163.551 8.862 -7.666 1.00 0.00 H new ATOM 0 HD21 ASN B 70 163.746 12.548 -6.964 1.00 0.00 H new ATOM 0 HD22 ASN B 70 162.902 11.495 -8.104 1.00 0.00 H new ATOM 2512 N ALA B 71 161.467 7.701 -8.877 1.00 0.00 N ATOM 2513 CA ALA B 71 161.035 6.430 -9.522 1.00 0.00 C ATOM 2514 C ALA B 71 161.435 5.237 -8.654 1.00 0.00 C ATOM 2515 O ALA B 71 160.740 4.243 -8.599 1.00 0.00 O ATOM 2516 CB ALA B 71 161.711 6.302 -10.887 1.00 0.00 C ATOM 0 H ALA B 71 162.116 8.263 -9.428 1.00 0.00 H new ATOM 0 HA ALA B 71 159.951 6.442 -9.640 1.00 0.00 H new ATOM 0 HB1 ALA B 71 161.397 5.373 -11.363 1.00 0.00 H new ATOM 0 HB2 ALA B 71 161.425 7.146 -11.515 1.00 0.00 H new ATOM 0 HB3 ALA B 71 162.793 6.296 -10.758 1.00 0.00 H new ATOM 2522 N LYS B 72 162.551 5.311 -7.984 1.00 0.00 N ATOM 2523 CA LYS B 72 162.973 4.157 -7.143 1.00 0.00 C ATOM 2524 C LYS B 72 162.054 4.040 -5.927 1.00 0.00 C ATOM 2525 O LYS B 72 161.658 2.960 -5.533 1.00 0.00 O ATOM 2526 CB LYS B 72 164.424 4.366 -6.694 1.00 0.00 C ATOM 2527 CG LYS B 72 164.953 3.089 -6.037 1.00 0.00 C ATOM 2528 CD LYS B 72 166.406 3.303 -5.604 1.00 0.00 C ATOM 2529 CE LYS B 72 166.939 2.035 -4.932 1.00 0.00 C ATOM 2530 NZ LYS B 72 167.245 1.009 -5.969 1.00 0.00 N ATOM 0 H LYS B 72 163.183 6.112 -7.982 1.00 0.00 H new ATOM 0 HA LYS B 72 162.905 3.235 -7.721 1.00 0.00 H new ATOM 0 HB2 LYS B 72 165.045 4.629 -7.550 1.00 0.00 H new ATOM 0 HB3 LYS B 72 164.481 5.198 -5.992 1.00 0.00 H new ATOM 0 HG2 LYS B 72 164.339 2.830 -5.174 1.00 0.00 H new ATOM 0 HG3 LYS B 72 164.889 2.255 -6.735 1.00 0.00 H new ATOM 0 HD2 LYS B 72 167.020 3.552 -6.469 1.00 0.00 H new ATOM 0 HD3 LYS B 72 166.469 4.145 -4.915 1.00 0.00 H new ATOM 0 HE2 LYS B 72 167.837 2.265 -4.358 1.00 0.00 H new ATOM 0 HE3 LYS B 72 166.202 1.647 -4.229 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 167.716 0.196 -5.524 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 166.361 0.694 -6.418 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 167.872 1.420 -6.690 1.00 0.00 H new ATOM 2544 N GLN B 73 161.715 5.147 -5.324 1.00 0.00 N ATOM 2545 CA GLN B 73 160.831 5.108 -4.127 1.00 0.00 C ATOM 2546 C GLN B 73 159.427 4.652 -4.515 1.00 0.00 C ATOM 2547 O GLN B 73 158.787 3.908 -3.800 1.00 0.00 O ATOM 2548 CB GLN B 73 160.765 6.500 -3.493 1.00 0.00 C ATOM 2549 CG GLN B 73 162.114 6.833 -2.851 1.00 0.00 C ATOM 2550 CD GLN B 73 162.136 8.304 -2.434 1.00 0.00 C ATOM 2551 OE1 GLN B 73 161.574 9.148 -3.105 1.00 0.00 O ATOM 2552 NE2 GLN B 73 162.767 8.651 -1.345 1.00 0.00 N ATOM 0 H GLN B 73 162.014 6.079 -5.611 1.00 0.00 H new ATOM 0 HA GLN B 73 161.242 4.398 -3.409 1.00 0.00 H new ATOM 0 HB2 GLN B 73 160.517 7.244 -4.249 1.00 0.00 H new ATOM 0 HB3 GLN B 73 159.975 6.532 -2.743 1.00 0.00 H new ATOM 0 HG2 GLN B 73 162.282 6.196 -1.982 1.00 0.00 H new ATOM 0 HG3 GLN B 73 162.922 6.632 -3.554 1.00 0.00 H new ATOM 0 HE21 GLN B 73 163.239 7.944 -0.782 1.00 0.00 H new ATOM 0 HE22 GLN B 73 162.788 9.629 -1.058 1.00 0.00 H new ATOM 2561 N SER B 74 158.930 5.103 -5.634 1.00 0.00 N ATOM 2562 CA SER B 74 157.562 4.706 -6.056 1.00 0.00 C ATOM 2563 C SER B 74 157.496 3.199 -6.329 1.00 0.00 C ATOM 2564 O SER B 74 156.525 2.549 -5.995 1.00 0.00 O ATOM 2565 CB SER B 74 157.189 5.474 -7.322 1.00 0.00 C ATOM 2566 OG SER B 74 157.157 6.866 -7.032 1.00 0.00 O ATOM 0 H SER B 74 159.416 5.731 -6.274 1.00 0.00 H new ATOM 0 HA SER B 74 156.861 4.942 -5.256 1.00 0.00 H new ATOM 0 HB2 SER B 74 157.913 5.271 -8.111 1.00 0.00 H new ATOM 0 HB3 SER B 74 156.217 5.144 -7.689 1.00 0.00 H new ATOM 0 HG SER B 74 158.072 7.215 -7.001 1.00 0.00 H new ATOM 2572 N ARG B 75 158.506 2.630 -6.939 1.00 0.00 N ATOM 2573 CA ARG B 75 158.465 1.168 -7.229 1.00 0.00 C ATOM 2574 C ARG B 75 158.350 0.376 -5.927 1.00 0.00 C ATOM 2575 O ARG B 75 157.689 -0.644 -5.878 1.00 0.00 O ATOM 2576 CB ARG B 75 159.724 0.746 -7.990 1.00 0.00 C ATOM 2577 CG ARG B 75 159.657 1.287 -9.419 1.00 0.00 C ATOM 2578 CD ARG B 75 160.913 0.870 -10.188 1.00 0.00 C ATOM 2579 NE ARG B 75 162.111 1.477 -9.545 1.00 0.00 N ATOM 2580 CZ ARG B 75 163.304 1.040 -9.845 1.00 0.00 C ATOM 2581 NH1 ARG B 75 163.447 0.078 -10.714 1.00 0.00 N ATOM 2582 NH2 ARG B 75 164.354 1.569 -9.278 1.00 0.00 N ATOM 0 H ARG B 75 159.351 3.113 -7.246 1.00 0.00 H new ATOM 0 HA ARG B 75 157.592 0.958 -7.847 1.00 0.00 H new ATOM 0 HB2 ARG B 75 160.612 1.127 -7.486 1.00 0.00 H new ATOM 0 HB3 ARG B 75 159.807 -0.341 -8.004 1.00 0.00 H new ATOM 0 HG2 ARG B 75 158.768 0.905 -9.921 1.00 0.00 H new ATOM 0 HG3 ARG B 75 159.573 2.374 -9.403 1.00 0.00 H new ATOM 0 HD2 ARG B 75 161.003 -0.216 -10.198 1.00 0.00 H new ATOM 0 HD3 ARG B 75 160.841 1.193 -11.227 1.00 0.00 H new ATOM 0 HE ARG B 75 162.000 2.234 -8.870 1.00 0.00 H new ATOM 0 HH11 ARG B 75 162.627 -0.333 -11.159 1.00 0.00 H new ATOM 0 HH12 ARG B 75 164.379 -0.263 -10.948 1.00 0.00 H new ATOM 0 HH21 ARG B 75 164.242 2.324 -8.601 1.00 0.00 H new ATOM 0 HH22 ARG B 75 165.286 1.228 -9.512 1.00 0.00 H new ATOM 2596 N ASP B 76 158.993 0.802 -4.873 1.00 0.00 N ATOM 2597 CA ASP B 76 158.927 0.040 -3.595 1.00 0.00 C ATOM 2598 C ASP B 76 157.520 0.092 -2.997 1.00 0.00 C ATOM 2599 O ASP B 76 157.030 -0.889 -2.473 1.00 0.00 O ATOM 2600 CB ASP B 76 159.922 0.638 -2.597 1.00 0.00 C ATOM 2601 CG ASP B 76 161.350 0.331 -3.049 1.00 0.00 C ATOM 2602 OD1 ASP B 76 161.507 -0.500 -3.929 1.00 0.00 O ATOM 2603 OD2 ASP B 76 162.265 0.925 -2.502 1.00 0.00 O ATOM 0 H ASP B 76 159.563 1.648 -4.843 1.00 0.00 H new ATOM 0 HA ASP B 76 159.178 -1.001 -3.800 1.00 0.00 H new ATOM 0 HB2 ASP B 76 159.777 1.716 -2.525 1.00 0.00 H new ATOM 0 HB3 ASP B 76 159.748 0.226 -1.603 1.00 0.00 H new ATOM 2608 N CYS B 77 156.862 1.216 -3.058 1.00 0.00 N ATOM 2609 CA CYS B 77 155.491 1.303 -2.478 1.00 0.00 C ATOM 2610 C CYS B 77 154.500 0.468 -3.299 1.00 0.00 C ATOM 2611 O CYS B 77 153.621 -0.164 -2.747 1.00 0.00 O ATOM 2612 CB CYS B 77 155.036 2.762 -2.466 1.00 0.00 C ATOM 2613 SG CYS B 77 155.980 3.680 -1.224 1.00 0.00 S ATOM 0 H CYS B 77 157.212 2.075 -3.482 1.00 0.00 H new ATOM 0 HA CYS B 77 155.518 0.912 -1.461 1.00 0.00 H new ATOM 0 HB2 CYS B 77 155.181 3.207 -3.450 1.00 0.00 H new ATOM 0 HB3 CYS B 77 153.970 2.820 -2.244 1.00 0.00 H new ATOM 0 HG CYS B 77 156.415 2.859 -0.315 1.00 0.00 H new ATOM 2619 N PHE B 78 154.597 0.474 -4.602 1.00 0.00 N ATOM 2620 CA PHE B 78 153.611 -0.308 -5.405 1.00 0.00 C ATOM 2621 C PHE B 78 153.643 -1.777 -4.990 1.00 0.00 C ATOM 2622 O PHE B 78 152.656 -2.332 -4.551 1.00 0.00 O ATOM 2623 CB PHE B 78 153.969 -0.201 -6.888 1.00 0.00 C ATOM 2624 CG PHE B 78 152.995 -1.020 -7.702 1.00 0.00 C ATOM 2625 CD1 PHE B 78 153.256 -2.373 -7.947 1.00 0.00 C ATOM 2626 CD2 PHE B 78 151.832 -0.428 -8.208 1.00 0.00 C ATOM 2627 CE1 PHE B 78 152.354 -3.136 -8.698 1.00 0.00 C ATOM 2628 CE2 PHE B 78 150.930 -1.191 -8.960 1.00 0.00 C ATOM 2629 CZ PHE B 78 151.191 -2.544 -9.204 1.00 0.00 C ATOM 0 H PHE B 78 155.304 0.977 -5.138 1.00 0.00 H new ATOM 0 HA PHE B 78 152.613 0.094 -5.231 1.00 0.00 H new ATOM 0 HB2 PHE B 78 153.939 0.841 -7.206 1.00 0.00 H new ATOM 0 HB3 PHE B 78 154.986 -0.556 -7.054 1.00 0.00 H new ATOM 0 HD1 PHE B 78 154.154 -2.829 -7.556 1.00 0.00 H new ATOM 0 HD2 PHE B 78 151.630 0.616 -8.019 1.00 0.00 H new ATOM 0 HE1 PHE B 78 152.555 -4.180 -8.887 1.00 0.00 H new ATOM 0 HE2 PHE B 78 150.033 -0.735 -9.352 1.00 0.00 H new ATOM 0 HZ PHE B 78 150.494 -3.132 -9.783 1.00 0.00 H new ATOM 2639 N GLY B 79 154.769 -2.414 -5.137 1.00 0.00 N ATOM 2640 CA GLY B 79 154.866 -3.853 -4.764 1.00 0.00 C ATOM 2641 C GLY B 79 154.551 -4.033 -3.278 1.00 0.00 C ATOM 2642 O GLY B 79 154.042 -5.051 -2.860 1.00 0.00 O ATOM 0 H GLY B 79 155.628 -2.001 -5.500 1.00 0.00 H new ATOM 0 HA2 GLY B 79 154.171 -4.440 -5.365 1.00 0.00 H new ATOM 0 HA3 GLY B 79 155.867 -4.226 -4.979 1.00 0.00 H new ATOM 2646 N CYS B 80 154.851 -3.051 -2.480 1.00 0.00 N ATOM 2647 CA CYS B 80 154.567 -3.176 -1.024 1.00 0.00 C ATOM 2648 C CYS B 80 153.056 -3.159 -0.786 1.00 0.00 C ATOM 2649 O CYS B 80 152.513 -4.028 -0.133 1.00 0.00 O ATOM 2650 CB CYS B 80 155.208 -2.005 -0.278 1.00 0.00 C ATOM 2651 SG CYS B 80 154.995 -2.234 1.504 1.00 0.00 S ATOM 0 H CYS B 80 155.278 -2.171 -2.769 1.00 0.00 H new ATOM 0 HA CYS B 80 154.980 -4.116 -0.658 1.00 0.00 H new ATOM 0 HB2 CYS B 80 156.268 -1.941 -0.523 1.00 0.00 H new ATOM 0 HB3 CYS B 80 154.751 -1.066 -0.592 1.00 0.00 H new ATOM 0 HG CYS B 80 153.972 -3.006 1.723 1.00 0.00 H new ATOM 2657 N LEU B 81 152.366 -2.190 -1.321 1.00 0.00 N ATOM 2658 CA LEU B 81 150.890 -2.156 -1.123 1.00 0.00 C ATOM 2659 C LEU B 81 150.241 -3.279 -1.936 1.00 0.00 C ATOM 2660 O LEU B 81 149.315 -3.926 -1.487 1.00 0.00 O ATOM 2661 CB LEU B 81 150.348 -0.805 -1.593 1.00 0.00 C ATOM 2662 CG LEU B 81 150.997 0.325 -0.782 1.00 0.00 C ATOM 2663 CD1 LEU B 81 150.519 1.674 -1.328 1.00 0.00 C ATOM 2664 CD2 LEU B 81 150.611 0.199 0.705 1.00 0.00 C ATOM 0 H LEU B 81 152.754 -1.430 -1.880 1.00 0.00 H new ATOM 0 HA LEU B 81 150.659 -2.294 -0.067 1.00 0.00 H new ATOM 0 HB2 LEU B 81 150.555 -0.669 -2.654 1.00 0.00 H new ATOM 0 HB3 LEU B 81 149.265 -0.776 -1.473 1.00 0.00 H new ATOM 0 HG LEU B 81 152.081 0.256 -0.870 1.00 0.00 H new ATOM 0 HD11 LEU B 81 150.977 2.481 -0.756 1.00 0.00 H new ATOM 0 HD12 LEU B 81 150.805 1.764 -2.376 1.00 0.00 H new ATOM 0 HD13 LEU B 81 149.434 1.738 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU B 81 151.077 1.005 1.271 1.00 0.00 H new ATOM 0 HD22 LEU B 81 149.528 0.263 0.806 1.00 0.00 H new ATOM 0 HD23 LEU B 81 150.955 -0.761 1.090 1.00 0.00 H new ATOM 2676 N ARG B 82 150.711 -3.514 -3.131 1.00 0.00 N ATOM 2677 CA ARG B 82 150.111 -4.591 -3.970 1.00 0.00 C ATOM 2678 C ARG B 82 150.276 -5.942 -3.274 1.00 0.00 C ATOM 2679 O ARG B 82 149.380 -6.763 -3.270 1.00 0.00 O ATOM 2680 CB ARG B 82 150.807 -4.620 -5.339 1.00 0.00 C ATOM 2681 CG ARG B 82 150.108 -5.633 -6.286 1.00 0.00 C ATOM 2682 CD ARG B 82 150.923 -6.929 -6.377 1.00 0.00 C ATOM 2683 NE ARG B 82 152.239 -6.642 -7.015 1.00 0.00 N ATOM 2684 CZ ARG B 82 153.208 -7.511 -6.929 1.00 0.00 C ATOM 2685 NH1 ARG B 82 153.024 -8.631 -6.286 1.00 0.00 N ATOM 2686 NH2 ARG B 82 154.361 -7.261 -7.487 1.00 0.00 N ATOM 0 H ARG B 82 151.484 -3.007 -3.563 1.00 0.00 H new ATOM 0 HA ARG B 82 149.048 -4.392 -4.110 1.00 0.00 H new ATOM 0 HB2 ARG B 82 150.788 -3.625 -5.784 1.00 0.00 H new ATOM 0 HB3 ARG B 82 151.855 -4.893 -5.215 1.00 0.00 H new ATOM 0 HG2 ARG B 82 149.105 -5.851 -5.919 1.00 0.00 H new ATOM 0 HG3 ARG B 82 149.996 -5.196 -7.278 1.00 0.00 H new ATOM 0 HD2 ARG B 82 151.072 -7.348 -5.382 1.00 0.00 H new ATOM 0 HD3 ARG B 82 150.379 -7.674 -6.958 1.00 0.00 H new ATOM 0 HE ARG B 82 152.382 -5.767 -7.519 1.00 0.00 H new ATOM 0 HH11 ARG B 82 152.123 -8.827 -5.851 1.00 0.00 H new ATOM 0 HH12 ARG B 82 153.781 -9.311 -6.219 1.00 0.00 H new ATOM 0 HH21 ARG B 82 154.505 -6.386 -7.991 1.00 0.00 H new ATOM 0 HH22 ARG B 82 155.118 -7.941 -7.419 1.00 0.00 H new ATOM 2700 N GLU B 83 151.411 -6.180 -2.677 1.00 0.00 N ATOM 2701 CA GLU B 83 151.633 -7.475 -1.975 1.00 0.00 C ATOM 2702 C GLU B 83 150.774 -7.552 -0.708 1.00 0.00 C ATOM 2703 O GLU B 83 150.242 -8.596 -0.383 1.00 0.00 O ATOM 2704 CB GLU B 83 153.117 -7.628 -1.616 1.00 0.00 C ATOM 2705 CG GLU B 83 153.917 -7.943 -2.884 1.00 0.00 C ATOM 2706 CD GLU B 83 155.414 -7.906 -2.571 1.00 0.00 C ATOM 2707 OE1 GLU B 83 155.754 -7.681 -1.421 1.00 0.00 O ATOM 2708 OE2 GLU B 83 156.195 -8.101 -3.488 1.00 0.00 O ATOM 0 H GLU B 83 152.197 -5.531 -2.645 1.00 0.00 H new ATOM 0 HA GLU B 83 151.342 -8.288 -2.641 1.00 0.00 H new ATOM 0 HB2 GLU B 83 153.488 -6.712 -1.157 1.00 0.00 H new ATOM 0 HB3 GLU B 83 153.245 -8.426 -0.884 1.00 0.00 H new ATOM 0 HG2 GLU B 83 153.640 -8.925 -3.266 1.00 0.00 H new ATOM 0 HG3 GLU B 83 153.681 -7.219 -3.664 1.00 0.00 H new ATOM 2715 N TRP B 84 150.610 -6.468 0.008 1.00 0.00 N ATOM 2716 CA TRP B 84 149.765 -6.511 1.235 1.00 0.00 C ATOM 2717 C TRP B 84 148.326 -6.862 0.844 1.00 0.00 C ATOM 2718 O TRP B 84 147.668 -7.650 1.495 1.00 0.00 O ATOM 2719 CB TRP B 84 149.790 -5.144 1.925 1.00 0.00 C ATOM 2720 CG TRP B 84 149.080 -5.244 3.236 1.00 0.00 C ATOM 2721 CD1 TRP B 84 149.668 -5.563 4.412 1.00 0.00 C ATOM 2722 CD2 TRP B 84 147.665 -5.046 3.526 1.00 0.00 C ATOM 2723 NE1 TRP B 84 148.707 -5.571 5.406 1.00 0.00 N ATOM 2724 CE2 TRP B 84 147.457 -5.258 4.910 1.00 0.00 C ATOM 2725 CE3 TRP B 84 146.555 -4.704 2.733 1.00 0.00 C ATOM 2726 CZ2 TRP B 84 146.193 -5.140 5.485 1.00 0.00 C ATOM 2727 CZ3 TRP B 84 145.282 -4.584 3.310 1.00 0.00 C ATOM 2728 CH2 TRP B 84 145.102 -4.803 4.682 1.00 0.00 C ATOM 0 H TRP B 84 151.024 -5.560 -0.205 1.00 0.00 H new ATOM 0 HA TRP B 84 150.153 -7.265 1.919 1.00 0.00 H new ATOM 0 HB2 TRP B 84 150.819 -4.819 2.079 1.00 0.00 H new ATOM 0 HB3 TRP B 84 149.311 -4.396 1.294 1.00 0.00 H new ATOM 0 HD1 TRP B 84 150.717 -5.777 4.552 1.00 0.00 H new ATOM 0 HE1 TRP B 84 148.898 -5.782 6.385 1.00 0.00 H new ATOM 0 HE3 TRP B 84 146.683 -4.533 1.674 1.00 0.00 H new ATOM 0 HZ2 TRP B 84 146.059 -5.308 6.543 1.00 0.00 H new ATOM 0 HZ3 TRP B 84 144.436 -4.321 2.693 1.00 0.00 H new ATOM 0 HH2 TRP B 84 144.119 -4.711 5.119 1.00 0.00 H new ATOM 2739 N CYS B 85 147.824 -6.262 -0.205 1.00 0.00 N ATOM 2740 CA CYS B 85 146.420 -6.543 -0.627 1.00 0.00 C ATOM 2741 C CYS B 85 146.260 -8.023 -0.974 1.00 0.00 C ATOM 2742 O CYS B 85 145.266 -8.643 -0.653 1.00 0.00 O ATOM 2743 CB CYS B 85 146.083 -5.699 -1.858 1.00 0.00 C ATOM 2744 SG CYS B 85 145.944 -3.959 -1.380 1.00 0.00 S ATOM 0 H CYS B 85 148.325 -5.591 -0.786 1.00 0.00 H new ATOM 0 HA CYS B 85 145.746 -6.293 0.193 1.00 0.00 H new ATOM 0 HB2 CYS B 85 146.857 -5.818 -2.616 1.00 0.00 H new ATOM 0 HB3 CYS B 85 145.148 -6.041 -2.301 1.00 0.00 H new ATOM 0 HG CYS B 85 147.131 -3.435 -1.298 1.00 0.00 H new ATOM 2750 N ASP B 86 147.231 -8.597 -1.623 1.00 0.00 N ATOM 2751 CA ASP B 86 147.134 -10.037 -1.987 1.00 0.00 C ATOM 2752 C ASP B 86 146.999 -10.882 -0.721 1.00 0.00 C ATOM 2753 O ASP B 86 146.438 -11.959 -0.739 1.00 0.00 O ATOM 2754 CB ASP B 86 148.390 -10.458 -2.753 1.00 0.00 C ATOM 2755 CG ASP B 86 148.383 -9.807 -4.138 1.00 0.00 C ATOM 2756 OD1 ASP B 86 147.305 -9.504 -4.623 1.00 0.00 O ATOM 2757 OD2 ASP B 86 149.455 -9.625 -4.691 1.00 0.00 O ATOM 0 H ASP B 86 148.089 -8.131 -1.918 1.00 0.00 H new ATOM 0 HA ASP B 86 146.257 -10.190 -2.616 1.00 0.00 H new ATOM 0 HB2 ASP B 86 149.282 -10.159 -2.203 1.00 0.00 H new ATOM 0 HB3 ASP B 86 148.424 -11.543 -2.849 1.00 0.00 H new ATOM 2762 N ALA B 87 147.527 -10.412 0.379 1.00 0.00 N ATOM 2763 CA ALA B 87 147.448 -11.203 1.645 1.00 0.00 C ATOM 2764 C ALA B 87 146.236 -10.784 2.485 1.00 0.00 C ATOM 2765 O ALA B 87 145.659 -11.594 3.184 1.00 0.00 O ATOM 2766 CB ALA B 87 148.719 -10.968 2.464 1.00 0.00 C ATOM 0 H ALA B 87 148.009 -9.516 0.456 1.00 0.00 H new ATOM 0 HA ALA B 87 147.346 -12.256 1.385 1.00 0.00 H new ATOM 0 HB1 ALA B 87 148.667 -11.542 3.389 1.00 0.00 H new ATOM 0 HB2 ALA B 87 149.587 -11.286 1.887 1.00 0.00 H new ATOM 0 HB3 ALA B 87 148.809 -9.908 2.700 1.00 0.00 H new ATOM 2772 N PHE B 88 145.892 -9.518 2.483 1.00 0.00 N ATOM 2773 CA PHE B 88 144.764 -9.032 3.353 1.00 0.00 C ATOM 2774 C PHE B 88 143.522 -8.588 2.564 1.00 0.00 C ATOM 2775 O PHE B 88 142.490 -8.343 3.156 1.00 0.00 O ATOM 2776 CB PHE B 88 145.265 -7.839 4.159 1.00 0.00 C ATOM 2777 CG PHE B 88 146.333 -8.281 5.129 1.00 0.00 C ATOM 2778 CD1 PHE B 88 145.971 -8.851 6.355 1.00 0.00 C ATOM 2779 CD2 PHE B 88 147.687 -8.112 4.807 1.00 0.00 C ATOM 2780 CE1 PHE B 88 146.960 -9.252 7.260 1.00 0.00 C ATOM 2781 CE2 PHE B 88 148.676 -8.510 5.714 1.00 0.00 C ATOM 2782 CZ PHE B 88 148.312 -9.080 6.940 1.00 0.00 C ATOM 0 H PHE B 88 146.341 -8.797 1.918 1.00 0.00 H new ATOM 0 HA PHE B 88 144.462 -9.869 3.982 1.00 0.00 H new ATOM 0 HB2 PHE B 88 145.664 -7.079 3.488 1.00 0.00 H new ATOM 0 HB3 PHE B 88 144.437 -7.383 4.701 1.00 0.00 H new ATOM 0 HD1 PHE B 88 144.928 -8.981 6.603 1.00 0.00 H new ATOM 0 HD2 PHE B 88 147.967 -7.675 3.860 1.00 0.00 H new ATOM 0 HE1 PHE B 88 146.680 -9.694 8.205 1.00 0.00 H new ATOM 0 HE2 PHE B 88 149.719 -8.378 5.468 1.00 0.00 H new ATOM 0 HZ PHE B 88 149.075 -9.387 7.640 1.00 0.00 H new ATOM 2792 N LEU B 89 143.579 -8.470 1.256 1.00 0.00 N ATOM 2793 CA LEU B 89 142.357 -8.028 0.496 1.00 0.00 C ATOM 2794 C LEU B 89 141.655 -9.252 -0.097 1.00 0.00 C ATOM 2795 O LEU B 89 142.350 -10.155 -0.534 1.00 0.00 O ATOM 2796 CB LEU B 89 142.765 -7.070 -0.634 1.00 0.00 C ATOM 2797 CG LEU B 89 141.514 -6.395 -1.242 1.00 0.00 C ATOM 2798 CD1 LEU B 89 141.054 -5.215 -0.371 1.00 0.00 C ATOM 2799 CD2 LEU B 89 141.845 -5.870 -2.643 1.00 0.00 C ATOM 2800 OXT LEU B 89 140.435 -9.265 -0.106 1.00 0.00 O ATOM 0 H LEU B 89 144.404 -8.657 0.687 1.00 0.00 H new ATOM 0 HA LEU B 89 141.678 -7.512 1.175 1.00 0.00 H new ATOM 0 HB2 LEU B 89 143.445 -6.311 -0.248 1.00 0.00 H new ATOM 0 HB3 LEU B 89 143.304 -7.617 -1.408 1.00 0.00 H new ATOM 0 HG LEU B 89 140.716 -7.136 -1.292 1.00 0.00 H new ATOM 0 HD11 LEU B 89 140.173 -4.755 -0.818 1.00 0.00 H new ATOM 0 HD12 LEU B 89 140.809 -5.574 0.628 1.00 0.00 H new ATOM 0 HD13 LEU B 89 141.854 -4.478 -0.305 1.00 0.00 H new ATOM 0 HD21 LEU B 89 140.963 -5.394 -3.071 1.00 0.00 H new ATOM 0 HD22 LEU B 89 142.654 -5.142 -2.577 1.00 0.00 H new ATOM 0 HD23 LEU B 89 142.154 -6.700 -3.279 1.00 0.00 H new TER 2812 LEU B 89