USER MOD reduce.3.24.130724 H: found=0, std=0, add=1402, rem=0, adj=40 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: B 1 MET N :NH3+ 173:sc= -1.24 (180deg=-0.572) USER MOD Set 1.2: B 72 LYS NZ :NH3+ 179:sc= -1.26 (180deg=-0.81) USER MOD Set 2.1: A 1 MET N :NH3+ 174:sc= -1.31 (180deg=-0.522) USER MOD Set 2.2: A 72 LYS NZ :NH3+ -179:sc= -1.23 (180deg=-0.829) USER MOD Single : A 1 MET CE :methyl -154:sc= -0.27 (180deg=-1.26) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot -4:sc= 0.215! USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -1.32 K(o=-1.3,f=-0.22) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -2.29! C(o=-2.3!,f=-5.6!) USER MOD Single : A 15 MET CE :methyl 166:sc= -1.39 (180deg=-2.42) USER MOD Single : A 18 LYS NZ :NH3+ 164:sc= -0.0118 (180deg=-0.356) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0435) USER MOD Single : A 41 LYS NZ :NH3+ -159:sc= -0.0108 (180deg=-0.454) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.436 USER MOD Single : A 48 GLN : amide:sc= -0.176 K(o=-0.18,f=-1.1) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -119:sc= -0.0493 (180deg=-2.83!) USER MOD Single : A 64 LYS NZ :NH3+ 160:sc= -0.175 (180deg=-1.04) USER MOD Single : A 66 THR OG1 : rot 84:sc= 0.757 USER MOD Single : A 67 CYS SG : rot -46:sc= 0.903 USER MOD Single : A 70 ASN : amide:sc= -3.06! C(o=-3.1!,f=-2.3!) USER MOD Single : A 73 GLN : amide:sc= -0.898 K(o=-0.9,f=-1.9) USER MOD Single : A 74 SER OG : rot -64:sc= 0.967 USER MOD Single : A 77 CYS SG : rot -10:sc= 0.13 USER MOD Single : A 80 CYS SG : rot -140:sc= -0.018 USER MOD Single : A 85 CYS SG : rot 78:sc= -1.06 USER MOD Single : B 1 MET CE :methyl -141:sc= -0.197 (180deg=-1.2!) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0 USER MOD Single : B 3 THR OG1 : rot -4:sc= 0.425! USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 GLN : amide:sc= -1.25 K(o=-1.3,f=-0.16) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 HIS : no HD1:sc= -2.16! C(o=-2.2!,f=-5.7!) USER MOD Single : B 15 MET CE :methyl 166:sc= -1.39 (180deg=-2.4) USER MOD Single : B 18 LYS NZ :NH3+ 163:sc= -0.0357 (180deg=-0.394) USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0487) USER MOD Single : B 41 LYS NZ :NH3+ -161:sc= -0.0217 (180deg=-0.458) USER MOD Single : B 43 TYR OH : rot 180:sc= -0.67 USER MOD Single : B 48 GLN : amide:sc= -0.122 K(o=-0.12,f=-1) USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 54 LYS NZ :NH3+ -125:sc= -0.0551 (180deg=-2.84!) USER MOD Single : B 64 LYS NZ :NH3+ 156:sc= -0.267 (180deg=-1.04) USER MOD Single : B 66 THR OG1 : rot 64:sc= 0.817 USER MOD Single : B 67 CYS SG : rot -31:sc= 0.917 USER MOD Single : B 70 ASN : amide:sc= -2.94! C(o=-2.9!,f=-2.1!) USER MOD Single : B 73 GLN : amide:sc= -0.757 K(o=-0.76,f=-1.8) USER MOD Single : B 74 SER OG : rot -66:sc= 0.967 USER MOD Single : B 77 CYS SG : rot -29:sc= 0.0445 USER MOD Single : B 80 CYS SG : rot -140:sc= -0.0143 USER MOD Single : B 85 CYS SG : rot 180:sc= -1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 119.150 -4.297 9.889 1.00 3.75 N ATOM 2 CA MET A 1 120.268 -5.059 10.515 1.00 3.27 C ATOM 3 C MET A 1 120.211 -6.518 10.061 1.00 2.28 C ATOM 4 O MET A 1 121.070 -7.312 10.392 1.00 2.68 O ATOM 5 CB MET A 1 120.142 -5.000 12.038 1.00 3.76 C ATOM 6 CG MET A 1 120.450 -3.582 12.523 1.00 4.33 C ATOM 7 SD MET A 1 120.327 -3.517 14.329 1.00 5.05 S ATOM 8 CE MET A 1 118.548 -3.827 14.463 1.00 5.68 C ATOM 0 H1 MET A 1 119.128 -3.332 10.276 1.00 3.75 H new ATOM 0 H2 MET A 1 119.293 -4.254 8.860 1.00 3.75 H new ATOM 0 H3 MET A 1 118.248 -4.773 10.094 1.00 3.75 H new ATOM 0 HA MET A 1 121.217 -4.618 10.211 1.00 3.27 H new ATOM 0 HB2 MET A 1 119.136 -5.289 12.341 1.00 3.76 H new ATOM 0 HB3 MET A 1 120.829 -5.710 12.498 1.00 3.76 H new ATOM 0 HG2 MET A 1 121.450 -3.288 12.206 1.00 4.33 H new ATOM 0 HG3 MET A 1 119.752 -2.874 12.075 1.00 4.33 H new ATOM 0 HE1 MET A 1 118.171 -3.391 15.388 1.00 5.68 H new ATOM 0 HE2 MET A 1 118.035 -3.375 13.614 1.00 5.68 H new ATOM 0 HE3 MET A 1 118.365 -4.902 14.467 1.00 5.68 H new ATOM 20 N THR A 2 119.211 -6.883 9.306 1.00 1.63 N ATOM 21 CA THR A 2 119.115 -8.294 8.840 1.00 1.44 C ATOM 22 C THR A 2 120.239 -8.562 7.840 1.00 1.17 C ATOM 23 O THR A 2 120.394 -7.854 6.864 1.00 1.22 O ATOM 24 CB THR A 2 117.760 -8.519 8.163 1.00 2.22 C ATOM 25 OG1 THR A 2 116.722 -8.088 9.033 1.00 2.76 O ATOM 26 CG2 THR A 2 117.582 -10.007 7.853 1.00 3.02 C ATOM 0 H THR A 2 118.460 -6.268 8.993 1.00 1.63 H new ATOM 0 HA THR A 2 119.207 -8.971 9.689 1.00 1.44 H new ATOM 0 HB THR A 2 117.718 -7.950 7.234 1.00 2.22 H new ATOM 0 HG1 THR A 2 115.854 -8.229 8.601 1.00 2.76 H new ATOM 0 HG21 THR A 2 116.617 -10.165 7.371 1.00 3.02 H new ATOM 0 HG22 THR A 2 118.379 -10.338 7.187 1.00 3.02 H new ATOM 0 HG23 THR A 2 117.623 -10.579 8.780 1.00 3.02 H new ATOM 34 N THR A 3 121.033 -9.575 8.083 1.00 0.96 N ATOM 35 CA THR A 3 122.167 -9.898 7.162 1.00 0.75 C ATOM 36 C THR A 3 121.844 -11.157 6.354 1.00 0.69 C ATOM 37 O THR A 3 121.381 -12.148 6.884 1.00 0.74 O ATOM 38 CB THR A 3 123.429 -10.144 7.992 1.00 0.68 C ATOM 39 OG1 THR A 3 123.389 -11.457 8.533 1.00 0.79 O ATOM 40 CG2 THR A 3 123.503 -9.123 9.129 1.00 0.75 C ATOM 0 H THR A 3 120.944 -10.197 8.886 1.00 0.96 H new ATOM 0 HA THR A 3 122.324 -9.064 6.478 1.00 0.75 H new ATOM 0 HB THR A 3 124.308 -10.039 7.356 1.00 0.68 H new ATOM 0 HG1 THR A 3 122.534 -11.878 8.306 1.00 0.79 H new ATOM 0 HG21 THR A 3 124.402 -9.300 9.719 1.00 0.75 H new ATOM 0 HG22 THR A 3 123.534 -8.116 8.712 1.00 0.75 H new ATOM 0 HG23 THR A 3 122.625 -9.224 9.767 1.00 0.75 H new ATOM 48 N SER A 4 122.103 -11.130 5.075 1.00 0.63 N ATOM 49 CA SER A 4 121.834 -12.325 4.222 1.00 0.61 C ATOM 50 C SER A 4 123.073 -13.222 4.230 1.00 0.60 C ATOM 51 O SER A 4 124.076 -12.913 4.841 1.00 0.57 O ATOM 52 CB SER A 4 121.542 -11.874 2.790 1.00 0.63 C ATOM 53 OG SER A 4 120.289 -11.201 2.755 1.00 1.51 O ATOM 0 H SER A 4 122.492 -10.327 4.581 1.00 0.63 H new ATOM 0 HA SER A 4 120.974 -12.872 4.609 1.00 0.61 H new ATOM 0 HB2 SER A 4 122.333 -11.213 2.436 1.00 0.63 H new ATOM 0 HB3 SER A 4 121.524 -12.735 2.122 1.00 0.63 H new ATOM 0 HG SER A 4 120.100 -10.909 1.839 1.00 1.51 H new ATOM 59 N GLN A 5 123.000 -14.337 3.558 1.00 0.63 N ATOM 60 CA GLN A 5 124.157 -15.277 3.520 1.00 0.64 C ATOM 61 C GLN A 5 125.365 -14.566 2.917 1.00 0.60 C ATOM 62 O GLN A 5 126.499 -14.922 3.171 1.00 0.59 O ATOM 63 CB GLN A 5 123.796 -16.488 2.656 1.00 0.71 C ATOM 64 CG GLN A 5 122.703 -17.307 3.349 1.00 1.34 C ATOM 65 CD GLN A 5 123.265 -17.967 4.610 1.00 1.60 C ATOM 66 OE1 GLN A 5 122.549 -18.167 5.572 1.00 2.09 O ATOM 67 NE2 GLN A 5 124.518 -18.327 4.647 1.00 2.18 N ATOM 0 H GLN A 5 122.182 -14.640 3.029 1.00 0.63 H new ATOM 0 HA GLN A 5 124.395 -15.607 4.531 1.00 0.64 H new ATOM 0 HB2 GLN A 5 123.451 -16.158 1.676 1.00 0.71 H new ATOM 0 HB3 GLN A 5 124.679 -17.106 2.492 1.00 0.71 H new ATOM 0 HG2 GLN A 5 121.864 -16.662 3.609 1.00 1.34 H new ATOM 0 HG3 GLN A 5 122.321 -18.069 2.669 1.00 1.34 H new ATOM 0 HE21 GLN A 5 125.121 -18.160 3.841 1.00 2.18 H new ATOM 0 HE22 GLN A 5 124.895 -18.775 5.482 1.00 2.18 H new ATOM 76 N LYS A 6 125.134 -13.560 2.117 1.00 0.59 N ATOM 77 CA LYS A 6 126.265 -12.820 1.494 1.00 0.57 C ATOM 78 C LYS A 6 127.125 -12.195 2.593 1.00 0.51 C ATOM 79 O LYS A 6 128.332 -12.115 2.479 1.00 0.50 O ATOM 80 CB LYS A 6 125.709 -11.710 0.601 1.00 0.58 C ATOM 81 CG LYS A 6 125.031 -12.328 -0.623 1.00 0.65 C ATOM 82 CD LYS A 6 124.476 -11.217 -1.516 1.00 0.81 C ATOM 83 CE LYS A 6 123.799 -11.837 -2.738 1.00 1.26 C ATOM 84 NZ LYS A 6 123.274 -10.756 -3.620 1.00 2.02 N ATOM 0 H LYS A 6 124.206 -13.219 1.868 1.00 0.59 H new ATOM 0 HA LYS A 6 126.868 -13.505 0.899 1.00 0.57 H new ATOM 0 HB2 LYS A 6 124.994 -11.105 1.158 1.00 0.58 H new ATOM 0 HB3 LYS A 6 126.513 -11.045 0.287 1.00 0.58 H new ATOM 0 HG2 LYS A 6 125.746 -12.934 -1.180 1.00 0.65 H new ATOM 0 HG3 LYS A 6 124.226 -12.993 -0.309 1.00 0.65 H new ATOM 0 HD2 LYS A 6 123.761 -10.611 -0.959 1.00 0.81 H new ATOM 0 HD3 LYS A 6 125.281 -10.552 -1.831 1.00 0.81 H new ATOM 0 HE2 LYS A 6 124.510 -12.455 -3.286 1.00 1.26 H new ATOM 0 HE3 LYS A 6 122.986 -12.491 -2.423 1.00 1.26 H new ATOM 0 HZ1 LYS A 6 122.814 -11.179 -4.451 1.00 2.02 H new ATOM 0 HZ2 LYS A 6 122.582 -10.184 -3.094 1.00 2.02 H new ATOM 0 HZ3 LYS A 6 124.059 -10.149 -3.931 1.00 2.02 H new ATOM 98 N HIS A 7 126.512 -11.729 3.644 1.00 0.49 N ATOM 99 CA HIS A 7 127.292 -11.084 4.737 1.00 0.45 C ATOM 100 C HIS A 7 128.308 -12.062 5.331 1.00 0.45 C ATOM 101 O HIS A 7 129.487 -11.774 5.399 1.00 0.43 O ATOM 102 CB HIS A 7 126.323 -10.621 5.828 1.00 0.45 C ATOM 103 CG HIS A 7 127.087 -10.111 7.019 1.00 0.42 C ATOM 104 ND1 HIS A 7 127.463 -8.781 7.150 1.00 0.38 N ATOM 105 CD2 HIS A 7 127.544 -10.744 8.150 1.00 0.45 C ATOM 106 CE1 HIS A 7 128.115 -8.659 8.322 1.00 0.38 C ATOM 107 NE2 HIS A 7 128.189 -9.824 8.965 1.00 0.42 N ATOM 0 H HIS A 7 125.504 -11.767 3.794 1.00 0.49 H new ATOM 0 HA HIS A 7 127.837 -10.232 4.331 1.00 0.45 H new ATOM 0 HB2 HIS A 7 125.675 -9.836 5.439 1.00 0.45 H new ATOM 0 HB3 HIS A 7 125.679 -11.448 6.127 1.00 0.45 H new ATOM 0 HD2 HIS A 7 127.420 -11.794 8.370 1.00 0.45 H new ATOM 0 HE1 HIS A 7 128.527 -7.733 8.694 1.00 0.38 H new ATOM 0 HE2 HIS A 7 128.628 -10.002 9.868 1.00 0.42 H new ATOM 115 N ARG A 8 127.870 -13.216 5.766 1.00 0.48 N ATOM 116 CA ARG A 8 128.812 -14.206 6.353 1.00 0.50 C ATOM 117 C ARG A 8 129.716 -14.779 5.267 1.00 0.51 C ATOM 118 O ARG A 8 130.869 -15.085 5.498 1.00 0.51 O ATOM 119 CB ARG A 8 128.020 -15.336 7.011 1.00 0.55 C ATOM 120 CG ARG A 8 127.361 -14.812 8.286 1.00 0.57 C ATOM 121 CD ARG A 8 126.568 -15.936 8.948 1.00 1.00 C ATOM 122 NE ARG A 8 125.927 -15.427 10.191 1.00 1.69 N ATOM 123 CZ ARG A 8 124.955 -16.098 10.744 1.00 2.27 C ATOM 124 NH1 ARG A 8 124.526 -17.197 10.189 1.00 2.42 N ATOM 125 NH2 ARG A 8 124.411 -15.668 11.849 1.00 3.21 N ATOM 0 H ARG A 8 126.895 -13.513 5.738 1.00 0.48 H new ATOM 0 HA ARG A 8 129.430 -13.709 7.101 1.00 0.50 H new ATOM 0 HB2 ARG A 8 127.262 -15.713 6.324 1.00 0.55 H new ATOM 0 HB3 ARG A 8 128.681 -16.171 7.246 1.00 0.55 H new ATOM 0 HG2 ARG A 8 128.120 -14.435 8.972 1.00 0.57 H new ATOM 0 HG3 ARG A 8 126.701 -13.977 8.050 1.00 0.57 H new ATOM 0 HD2 ARG A 8 125.809 -16.312 8.262 1.00 1.00 H new ATOM 0 HD3 ARG A 8 127.228 -16.771 9.182 1.00 1.00 H new ATOM 0 HE ARG A 8 126.248 -14.554 10.610 1.00 1.69 H new ATOM 0 HH11 ARG A 8 124.951 -17.531 9.324 1.00 2.42 H new ATOM 0 HH12 ARG A 8 123.766 -17.723 10.620 1.00 2.42 H new ATOM 0 HH21 ARG A 8 124.746 -14.807 12.281 1.00 3.21 H new ATOM 0 HH22 ARG A 8 123.651 -16.193 12.281 1.00 3.21 H new ATOM 139 N ASP A 9 129.205 -14.920 4.082 1.00 0.52 N ATOM 140 CA ASP A 9 130.031 -15.465 2.976 1.00 0.54 C ATOM 141 C ASP A 9 131.094 -14.440 2.586 1.00 0.49 C ATOM 142 O ASP A 9 132.222 -14.779 2.291 1.00 0.49 O ATOM 143 CB ASP A 9 129.141 -15.767 1.771 1.00 0.61 C ATOM 144 CG ASP A 9 128.244 -16.966 2.086 1.00 0.68 C ATOM 145 OD1 ASP A 9 128.619 -17.752 2.939 1.00 0.67 O ATOM 146 OD2 ASP A 9 127.196 -17.074 1.471 1.00 0.76 O ATOM 0 H ASP A 9 128.246 -14.680 3.830 1.00 0.52 H new ATOM 0 HA ASP A 9 130.516 -16.385 3.303 1.00 0.54 H new ATOM 0 HB2 ASP A 9 128.531 -14.897 1.529 1.00 0.61 H new ATOM 0 HB3 ASP A 9 129.755 -15.979 0.896 1.00 0.61 H new ATOM 151 N PHE A 10 130.733 -13.186 2.567 1.00 0.46 N ATOM 152 CA PHE A 10 131.712 -12.131 2.178 1.00 0.43 C ATOM 153 C PHE A 10 132.869 -12.080 3.182 1.00 0.38 C ATOM 154 O PHE A 10 134.025 -12.049 2.807 1.00 0.36 O ATOM 155 CB PHE A 10 130.993 -10.782 2.144 1.00 0.45 C ATOM 156 CG PHE A 10 131.896 -9.736 1.542 1.00 0.43 C ATOM 157 CD1 PHE A 10 131.876 -9.513 0.160 1.00 0.44 C ATOM 158 CD2 PHE A 10 132.742 -8.980 2.361 1.00 0.43 C ATOM 159 CE1 PHE A 10 132.703 -8.536 -0.403 1.00 0.44 C ATOM 160 CE2 PHE A 10 133.571 -8.003 1.797 1.00 0.43 C ATOM 161 CZ PHE A 10 133.550 -7.782 0.416 1.00 0.43 C ATOM 0 H PHE A 10 129.801 -12.846 2.804 1.00 0.46 H new ATOM 0 HA PHE A 10 132.122 -12.360 1.194 1.00 0.43 H new ATOM 0 HB2 PHE A 10 130.076 -10.863 1.560 1.00 0.45 H new ATOM 0 HB3 PHE A 10 130.704 -10.488 3.153 1.00 0.45 H new ATOM 0 HD1 PHE A 10 131.222 -10.096 -0.471 1.00 0.44 H new ATOM 0 HD2 PHE A 10 132.755 -9.150 3.427 1.00 0.43 H new ATOM 0 HE1 PHE A 10 132.688 -8.364 -1.469 1.00 0.44 H new ATOM 0 HE2 PHE A 10 134.226 -7.420 2.428 1.00 0.43 H new ATOM 0 HZ PHE A 10 134.189 -7.028 -0.019 1.00 0.43 H new ATOM 171 N VAL A 11 132.574 -12.067 4.453 1.00 0.37 N ATOM 172 CA VAL A 11 133.664 -12.012 5.473 1.00 0.35 C ATOM 173 C VAL A 11 134.244 -13.413 5.684 1.00 0.37 C ATOM 174 O VAL A 11 134.949 -13.662 6.641 1.00 0.38 O ATOM 175 CB VAL A 11 133.098 -11.492 6.796 1.00 0.37 C ATOM 176 CG1 VAL A 11 132.485 -10.105 6.584 1.00 0.44 C ATOM 177 CG2 VAL A 11 132.019 -12.456 7.296 1.00 0.40 C ATOM 0 H VAL A 11 131.627 -12.092 4.831 1.00 0.37 H new ATOM 0 HA VAL A 11 134.451 -11.344 5.124 1.00 0.35 H new ATOM 0 HB VAL A 11 133.898 -11.423 7.533 1.00 0.37 H new ATOM 0 HG11 VAL A 11 132.083 -9.737 7.528 1.00 0.44 H new ATOM 0 HG12 VAL A 11 133.252 -9.419 6.225 1.00 0.44 H new ATOM 0 HG13 VAL A 11 131.683 -10.170 5.849 1.00 0.44 H new ATOM 0 HG21 VAL A 11 131.612 -12.090 8.239 1.00 0.40 H new ATOM 0 HG22 VAL A 11 131.220 -12.522 6.558 1.00 0.40 H new ATOM 0 HG23 VAL A 11 132.455 -13.443 7.448 1.00 0.40 H new ATOM 187 N ALA A 12 133.954 -14.329 4.788 1.00 0.41 N ATOM 188 CA ALA A 12 134.485 -15.727 4.914 1.00 0.48 C ATOM 189 C ALA A 12 135.490 -16.011 3.793 1.00 0.46 C ATOM 190 O ALA A 12 136.196 -17.000 3.822 1.00 0.49 O ATOM 191 CB ALA A 12 133.325 -16.718 4.811 1.00 0.54 C ATOM 0 H ALA A 12 133.368 -14.167 3.969 1.00 0.41 H new ATOM 0 HA ALA A 12 134.983 -15.834 5.878 1.00 0.48 H new ATOM 0 HB1 ALA A 12 133.706 -17.735 4.902 1.00 0.54 H new ATOM 0 HB2 ALA A 12 132.610 -16.526 5.611 1.00 0.54 H new ATOM 0 HB3 ALA A 12 132.831 -16.601 3.847 1.00 0.54 H new ATOM 197 N GLU A 13 135.572 -15.152 2.812 1.00 0.43 N ATOM 198 CA GLU A 13 136.545 -15.378 1.699 1.00 0.43 C ATOM 199 C GLU A 13 136.920 -14.024 1.076 1.00 0.40 C ATOM 200 O GLU A 13 136.122 -13.107 1.082 1.00 0.37 O ATOM 201 CB GLU A 13 135.905 -16.279 0.635 1.00 0.46 C ATOM 202 CG GLU A 13 134.657 -15.605 0.063 1.00 0.48 C ATOM 203 CD GLU A 13 133.970 -16.556 -0.917 1.00 0.61 C ATOM 204 OE1 GLU A 13 133.420 -17.547 -0.464 1.00 1.26 O ATOM 205 OE2 GLU A 13 134.006 -16.280 -2.105 1.00 1.05 O ATOM 0 H GLU A 13 135.009 -14.305 2.732 1.00 0.43 H new ATOM 0 HA GLU A 13 137.442 -15.862 2.085 1.00 0.43 H new ATOM 0 HB2 GLU A 13 136.620 -16.477 -0.164 1.00 0.46 H new ATOM 0 HB3 GLU A 13 135.641 -17.242 1.073 1.00 0.46 H new ATOM 0 HG2 GLU A 13 133.973 -15.339 0.868 1.00 0.48 H new ATOM 0 HG3 GLU A 13 134.930 -14.679 -0.443 1.00 0.48 H new ATOM 212 N PRO A 14 138.107 -13.886 0.528 1.00 0.42 N ATOM 213 CA PRO A 14 138.535 -12.610 -0.112 1.00 0.40 C ATOM 214 C PRO A 14 137.405 -11.964 -0.926 1.00 0.36 C ATOM 215 O PRO A 14 136.398 -12.582 -1.207 1.00 0.36 O ATOM 216 CB PRO A 14 139.684 -13.044 -1.028 1.00 0.45 C ATOM 217 CG PRO A 14 140.298 -14.225 -0.341 1.00 0.49 C ATOM 218 CD PRO A 14 139.173 -14.908 0.457 1.00 0.48 C ATOM 0 HA PRO A 14 138.822 -11.856 0.621 1.00 0.40 H new ATOM 0 HB2 PRO A 14 139.320 -13.309 -2.020 1.00 0.45 H new ATOM 0 HB3 PRO A 14 140.410 -12.241 -1.159 1.00 0.45 H new ATOM 0 HG2 PRO A 14 140.730 -14.913 -1.067 1.00 0.49 H new ATOM 0 HG3 PRO A 14 141.106 -13.911 0.320 1.00 0.49 H new ATOM 0 HD2 PRO A 14 138.825 -15.813 -0.041 1.00 0.48 H new ATOM 0 HD3 PRO A 14 139.511 -15.201 1.451 1.00 0.48 H new ATOM 226 N MET A 15 137.571 -10.728 -1.314 1.00 0.35 N ATOM 227 CA MET A 15 136.518 -10.041 -2.122 1.00 0.35 C ATOM 228 C MET A 15 136.824 -10.229 -3.611 1.00 0.36 C ATOM 229 O MET A 15 135.964 -10.089 -4.457 1.00 0.39 O ATOM 230 CB MET A 15 136.523 -8.541 -1.795 1.00 0.37 C ATOM 231 CG MET A 15 137.970 -8.064 -1.616 1.00 0.41 C ATOM 232 SD MET A 15 138.068 -6.273 -1.882 1.00 0.57 S ATOM 233 CE MET A 15 136.647 -5.783 -0.882 1.00 0.43 C ATOM 0 H MET A 15 138.393 -10.161 -1.106 1.00 0.35 H new ATOM 0 HA MET A 15 135.542 -10.465 -1.887 1.00 0.35 H new ATOM 0 HB2 MET A 15 136.040 -7.981 -2.596 1.00 0.37 H new ATOM 0 HB3 MET A 15 135.951 -8.354 -0.886 1.00 0.37 H new ATOM 0 HG2 MET A 15 138.322 -8.311 -0.615 1.00 0.41 H new ATOM 0 HG3 MET A 15 138.622 -8.581 -2.320 1.00 0.41 H new ATOM 0 HE1 MET A 15 136.677 -4.707 -0.710 1.00 0.43 H new ATOM 0 HE2 MET A 15 135.727 -6.041 -1.406 1.00 0.43 H new ATOM 0 HE3 MET A 15 136.678 -6.305 0.075 1.00 0.43 H new ATOM 243 N GLY A 16 138.050 -10.542 -3.931 1.00 0.37 N ATOM 244 CA GLY A 16 138.428 -10.734 -5.362 1.00 0.40 C ATOM 245 C GLY A 16 137.865 -9.580 -6.194 1.00 0.40 C ATOM 246 O GLY A 16 137.864 -8.440 -5.770 1.00 0.38 O ATOM 0 H GLY A 16 138.809 -10.674 -3.262 1.00 0.37 H new ATOM 0 HA2 GLY A 16 139.513 -10.773 -5.461 1.00 0.40 H new ATOM 0 HA3 GLY A 16 138.040 -11.684 -5.728 1.00 0.40 H new ATOM 250 N GLU A 17 137.397 -9.867 -7.383 1.00 0.41 N ATOM 251 CA GLU A 17 136.843 -8.794 -8.269 1.00 0.42 C ATOM 252 C GLU A 17 135.321 -8.913 -8.337 1.00 0.40 C ATOM 253 O GLU A 17 134.712 -8.573 -9.331 1.00 0.40 O ATOM 254 CB GLU A 17 137.418 -8.962 -9.677 1.00 0.47 C ATOM 255 CG GLU A 17 138.918 -8.659 -9.658 1.00 0.52 C ATOM 256 CD GLU A 17 139.490 -8.827 -11.067 1.00 0.57 C ATOM 257 OE1 GLU A 17 138.777 -9.332 -11.918 1.00 0.76 O ATOM 258 OE2 GLU A 17 140.631 -8.447 -11.272 1.00 0.85 O ATOM 0 H GLU A 17 137.374 -10.805 -7.782 1.00 0.41 H new ATOM 0 HA GLU A 17 137.113 -7.818 -7.866 1.00 0.42 H new ATOM 0 HB2 GLU A 17 137.246 -9.978 -10.032 1.00 0.47 H new ATOM 0 HB3 GLU A 17 136.910 -8.292 -10.371 1.00 0.47 H new ATOM 0 HG2 GLU A 17 139.090 -7.643 -9.303 1.00 0.52 H new ATOM 0 HG3 GLU A 17 139.427 -9.329 -8.965 1.00 0.52 H new ATOM 265 N LYS A 18 134.696 -9.397 -7.298 1.00 0.38 N ATOM 266 CA LYS A 18 133.214 -9.537 -7.323 1.00 0.36 C ATOM 267 C LYS A 18 132.586 -8.149 -7.525 1.00 0.32 C ATOM 268 O LYS A 18 133.146 -7.153 -7.109 1.00 0.31 O ATOM 269 CB LYS A 18 132.752 -10.127 -5.987 1.00 0.36 C ATOM 270 CG LYS A 18 133.369 -11.516 -5.804 1.00 0.45 C ATOM 271 CD LYS A 18 133.054 -12.035 -4.399 1.00 1.17 C ATOM 272 CE LYS A 18 133.577 -13.466 -4.255 1.00 1.44 C ATOM 273 NZ LYS A 18 135.063 -13.468 -4.369 1.00 2.01 N ATOM 0 H LYS A 18 135.147 -9.701 -6.435 1.00 0.38 H new ATOM 0 HA LYS A 18 132.908 -10.194 -8.137 1.00 0.36 H new ATOM 0 HB2 LYS A 18 133.049 -9.474 -5.166 1.00 0.36 H new ATOM 0 HB3 LYS A 18 131.664 -10.194 -5.963 1.00 0.36 H new ATOM 0 HG2 LYS A 18 132.974 -12.202 -6.553 1.00 0.45 H new ATOM 0 HG3 LYS A 18 134.448 -11.468 -5.952 1.00 0.45 H new ATOM 0 HD2 LYS A 18 133.515 -11.391 -3.650 1.00 1.17 H new ATOM 0 HD3 LYS A 18 131.979 -12.010 -4.223 1.00 1.17 H new ATOM 0 HE2 LYS A 18 133.275 -13.879 -3.293 1.00 1.44 H new ATOM 0 HE3 LYS A 18 133.142 -14.102 -5.026 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 135.438 -14.369 -4.009 1.00 2.01 H new ATOM 0 HZ2 LYS A 18 135.335 -13.354 -5.366 1.00 2.01 H new ATOM 0 HZ3 LYS A 18 135.455 -12.682 -3.812 1.00 2.01 H new ATOM 287 N PRO A 19 131.446 -8.070 -8.173 1.00 0.31 N ATOM 288 CA PRO A 19 130.769 -6.764 -8.441 1.00 0.29 C ATOM 289 C PRO A 19 130.383 -6.020 -7.156 1.00 0.25 C ATOM 290 O PRO A 19 130.208 -6.607 -6.106 1.00 0.24 O ATOM 291 CB PRO A 19 129.518 -7.149 -9.259 1.00 0.32 C ATOM 292 CG PRO A 19 129.292 -8.601 -8.973 1.00 0.33 C ATOM 293 CD PRO A 19 130.674 -9.201 -8.721 1.00 0.34 C ATOM 0 HA PRO A 19 131.428 -6.074 -8.968 1.00 0.29 H new ATOM 0 HB2 PRO A 19 128.656 -6.551 -8.964 1.00 0.32 H new ATOM 0 HB3 PRO A 19 129.676 -6.978 -10.324 1.00 0.32 H new ATOM 0 HG2 PRO A 19 128.646 -8.732 -8.105 1.00 0.33 H new ATOM 0 HG3 PRO A 19 128.801 -9.092 -9.813 1.00 0.33 H new ATOM 0 HD2 PRO A 19 130.628 -10.033 -8.019 1.00 0.34 H new ATOM 0 HD3 PRO A 19 131.119 -9.583 -9.640 1.00 0.34 H new ATOM 301 N VAL A 20 130.259 -4.724 -7.245 1.00 0.25 N ATOM 302 CA VAL A 20 129.892 -3.911 -6.051 1.00 0.23 C ATOM 303 C VAL A 20 128.566 -4.399 -5.468 1.00 0.21 C ATOM 304 O VAL A 20 128.424 -4.584 -4.276 1.00 0.23 O ATOM 305 CB VAL A 20 129.762 -2.443 -6.464 1.00 0.27 C ATOM 306 CG1 VAL A 20 128.712 -2.303 -7.572 1.00 0.32 C ATOM 307 CG2 VAL A 20 129.338 -1.610 -5.252 1.00 0.29 C ATOM 0 H VAL A 20 130.398 -4.189 -8.102 1.00 0.25 H new ATOM 0 HA VAL A 20 130.668 -4.015 -5.293 1.00 0.23 H new ATOM 0 HB VAL A 20 130.723 -2.088 -6.835 1.00 0.27 H new ATOM 0 HG11 VAL A 20 128.625 -1.256 -7.861 1.00 0.32 H new ATOM 0 HG12 VAL A 20 129.014 -2.894 -8.437 1.00 0.32 H new ATOM 0 HG13 VAL A 20 127.749 -2.660 -7.208 1.00 0.32 H new ATOM 0 HG21 VAL A 20 129.245 -0.564 -5.544 1.00 0.29 H new ATOM 0 HG22 VAL A 20 128.378 -1.970 -4.881 1.00 0.29 H new ATOM 0 HG23 VAL A 20 130.088 -1.702 -4.467 1.00 0.29 H new ATOM 317 N GLY A 21 127.587 -4.593 -6.312 1.00 0.23 N ATOM 318 CA GLY A 21 126.252 -5.051 -5.837 1.00 0.21 C ATOM 319 C GLY A 21 126.393 -6.299 -4.963 1.00 0.20 C ATOM 320 O GLY A 21 125.423 -6.791 -4.421 1.00 0.19 O ATOM 0 H GLY A 21 127.658 -4.452 -7.320 1.00 0.23 H new ATOM 0 HA2 GLY A 21 125.769 -4.255 -5.270 1.00 0.21 H new ATOM 0 HA3 GLY A 21 125.611 -5.269 -6.691 1.00 0.21 H new ATOM 324 N SER A 22 127.582 -6.819 -4.806 1.00 0.20 N ATOM 325 CA SER A 22 127.755 -8.031 -3.956 1.00 0.20 C ATOM 326 C SER A 22 127.857 -7.613 -2.485 1.00 0.19 C ATOM 327 O SER A 22 127.610 -8.396 -1.590 1.00 0.20 O ATOM 328 CB SER A 22 129.037 -8.759 -4.367 1.00 0.23 C ATOM 329 OG SER A 22 129.116 -9.995 -3.671 1.00 1.24 O ATOM 0 H SER A 22 128.437 -6.458 -5.228 1.00 0.20 H new ATOM 0 HA SER A 22 126.899 -8.693 -4.087 1.00 0.20 H new ATOM 0 HB2 SER A 22 129.042 -8.933 -5.443 1.00 0.23 H new ATOM 0 HB3 SER A 22 129.908 -8.144 -4.140 1.00 0.23 H new ATOM 0 HG SER A 22 129.935 -10.466 -3.932 1.00 1.24 H new ATOM 335 N LEU A 23 128.227 -6.386 -2.227 1.00 0.17 N ATOM 336 CA LEU A 23 128.350 -5.929 -0.811 1.00 0.18 C ATOM 337 C LEU A 23 126.984 -5.989 -0.128 1.00 0.18 C ATOM 338 O LEU A 23 125.976 -5.605 -0.686 1.00 0.17 O ATOM 339 CB LEU A 23 128.857 -4.485 -0.773 1.00 0.18 C ATOM 340 CG LEU A 23 130.250 -4.392 -1.404 1.00 0.21 C ATOM 341 CD1 LEU A 23 130.660 -2.920 -1.485 1.00 0.23 C ATOM 342 CD2 LEU A 23 131.275 -5.166 -0.551 1.00 0.24 C ATOM 0 H LEU A 23 128.449 -5.683 -2.932 1.00 0.17 H new ATOM 0 HA LEU A 23 129.053 -6.580 -0.292 1.00 0.18 H new ATOM 0 HB2 LEU A 23 128.164 -3.835 -1.308 1.00 0.18 H new ATOM 0 HB3 LEU A 23 128.893 -4.132 0.258 1.00 0.18 H new ATOM 0 HG LEU A 23 130.224 -4.829 -2.402 1.00 0.21 H new ATOM 0 HD11 LEU A 23 131.651 -2.842 -1.933 1.00 0.23 H new ATOM 0 HD12 LEU A 23 129.941 -2.375 -2.097 1.00 0.23 H new ATOM 0 HD13 LEU A 23 130.681 -2.492 -0.483 1.00 0.23 H new ATOM 0 HD21 LEU A 23 132.261 -5.092 -1.010 1.00 0.24 H new ATOM 0 HD22 LEU A 23 131.309 -4.740 0.452 1.00 0.24 H new ATOM 0 HD23 LEU A 23 130.981 -6.214 -0.491 1.00 0.24 H new ATOM 354 N ALA A 24 126.956 -6.466 1.081 1.00 0.18 N ATOM 355 CA ALA A 24 125.664 -6.549 1.815 1.00 0.19 C ATOM 356 C ALA A 24 125.135 -5.138 2.098 1.00 0.20 C ATOM 357 O ALA A 24 125.857 -4.263 2.534 1.00 0.20 O ATOM 358 CB ALA A 24 125.875 -7.289 3.135 1.00 0.21 C ATOM 0 H ALA A 24 127.771 -6.802 1.594 1.00 0.18 H new ATOM 0 HA ALA A 24 124.939 -7.088 1.206 1.00 0.19 H new ATOM 0 HB1 ALA A 24 124.929 -7.350 3.673 1.00 0.21 H new ATOM 0 HB2 ALA A 24 126.243 -8.295 2.933 1.00 0.21 H new ATOM 0 HB3 ALA A 24 126.603 -6.751 3.742 1.00 0.21 H new ATOM 364 N GLY A 25 123.871 -4.922 1.844 1.00 0.20 N ATOM 365 CA GLY A 25 123.264 -3.574 2.085 1.00 0.21 C ATOM 366 C GLY A 25 123.175 -2.815 0.760 1.00 0.21 C ATOM 367 O GLY A 25 122.409 -1.884 0.617 1.00 0.22 O ATOM 0 H GLY A 25 123.227 -5.624 1.478 1.00 0.20 H new ATOM 0 HA2 GLY A 25 122.272 -3.682 2.522 1.00 0.21 H new ATOM 0 HA3 GLY A 25 123.867 -3.013 2.799 1.00 0.21 H new ATOM 371 N ILE A 26 123.946 -3.213 -0.216 1.00 0.20 N ATOM 372 CA ILE A 26 123.901 -2.530 -1.544 1.00 0.21 C ATOM 373 C ILE A 26 123.045 -3.382 -2.476 1.00 0.23 C ATOM 374 O ILE A 26 123.413 -4.488 -2.818 1.00 0.25 O ATOM 375 CB ILE A 26 125.321 -2.414 -2.106 1.00 0.22 C ATOM 376 CG1 ILE A 26 126.227 -1.690 -1.097 1.00 0.22 C ATOM 377 CG2 ILE A 26 125.294 -1.635 -3.424 1.00 0.25 C ATOM 378 CD1 ILE A 26 125.607 -0.349 -0.678 1.00 0.24 C ATOM 0 H ILE A 26 124.609 -3.986 -0.151 1.00 0.20 H new ATOM 0 HA ILE A 26 123.479 -1.529 -1.449 1.00 0.21 H new ATOM 0 HB ILE A 26 125.714 -3.414 -2.286 1.00 0.22 H new ATOM 0 HG12 ILE A 26 126.376 -2.318 -0.219 1.00 0.22 H new ATOM 0 HG13 ILE A 26 127.209 -1.520 -1.538 1.00 0.22 H new ATOM 0 HG21 ILE A 26 126.306 -1.555 -3.820 1.00 0.25 H new ATOM 0 HG22 ILE A 26 124.663 -2.158 -4.143 1.00 0.25 H new ATOM 0 HG23 ILE A 26 124.893 -0.637 -3.248 1.00 0.25 H new ATOM 0 HD11 ILE A 26 126.263 0.148 0.036 1.00 0.24 H new ATOM 0 HD12 ILE A 26 125.481 0.284 -1.556 1.00 0.24 H new ATOM 0 HD13 ILE A 26 124.636 -0.526 -0.216 1.00 0.24 H new ATOM 390 N GLY A 27 121.906 -2.897 -2.891 1.00 0.24 N ATOM 391 CA GLY A 27 121.042 -3.708 -3.796 1.00 0.28 C ATOM 392 C GLY A 27 121.410 -3.428 -5.252 1.00 0.28 C ATOM 393 O GLY A 27 122.255 -2.607 -5.547 1.00 0.27 O ATOM 0 H GLY A 27 121.538 -1.978 -2.644 1.00 0.24 H new ATOM 0 HA2 GLY A 27 121.166 -4.769 -3.578 1.00 0.28 H new ATOM 0 HA3 GLY A 27 119.993 -3.468 -3.624 1.00 0.28 H new ATOM 397 N GLU A 28 120.789 -4.121 -6.161 1.00 0.30 N ATOM 398 CA GLU A 28 121.113 -3.911 -7.598 1.00 0.32 C ATOM 399 C GLU A 28 120.870 -2.448 -7.973 1.00 0.32 C ATOM 400 O GLU A 28 121.627 -1.856 -8.718 1.00 0.34 O ATOM 401 CB GLU A 28 120.221 -4.810 -8.458 1.00 0.36 C ATOM 402 CG GLU A 28 120.612 -6.273 -8.244 1.00 0.39 C ATOM 403 CD GLU A 28 119.720 -7.171 -9.104 1.00 1.28 C ATOM 404 OE1 GLU A 28 118.788 -6.653 -9.697 1.00 2.01 O ATOM 405 OE2 GLU A 28 119.981 -8.362 -9.151 1.00 1.65 O ATOM 0 H GLU A 28 120.073 -4.822 -5.973 1.00 0.30 H new ATOM 0 HA GLU A 28 122.160 -4.160 -7.771 1.00 0.32 H new ATOM 0 HB2 GLU A 28 119.174 -4.660 -8.194 1.00 0.36 H new ATOM 0 HB3 GLU A 28 120.326 -4.545 -9.510 1.00 0.36 H new ATOM 0 HG2 GLU A 28 121.659 -6.423 -8.508 1.00 0.39 H new ATOM 0 HG3 GLU A 28 120.507 -6.538 -7.192 1.00 0.39 H new ATOM 412 N VAL A 29 119.819 -1.857 -7.475 1.00 0.31 N ATOM 413 CA VAL A 29 119.537 -0.436 -7.820 1.00 0.33 C ATOM 414 C VAL A 29 120.619 0.462 -7.216 1.00 0.33 C ATOM 415 O VAL A 29 121.165 1.322 -7.878 1.00 0.35 O ATOM 416 CB VAL A 29 118.162 -0.045 -7.269 1.00 0.34 C ATOM 417 CG1 VAL A 29 117.956 1.467 -7.397 1.00 0.38 C ATOM 418 CG2 VAL A 29 117.073 -0.777 -8.059 1.00 0.35 C ATOM 0 H VAL A 29 119.146 -2.295 -6.846 1.00 0.31 H new ATOM 0 HA VAL A 29 119.538 -0.313 -8.903 1.00 0.33 H new ATOM 0 HB VAL A 29 118.105 -0.324 -6.217 1.00 0.34 H new ATOM 0 HG11 VAL A 29 116.976 1.735 -7.003 1.00 0.38 H new ATOM 0 HG12 VAL A 29 118.729 1.989 -6.833 1.00 0.38 H new ATOM 0 HG13 VAL A 29 118.016 1.755 -8.447 1.00 0.38 H new ATOM 0 HG21 VAL A 29 116.093 -0.501 -7.669 1.00 0.35 H new ATOM 0 HG22 VAL A 29 117.137 -0.498 -9.111 1.00 0.35 H new ATOM 0 HG23 VAL A 29 117.213 -1.853 -7.960 1.00 0.35 H new ATOM 428 N LEU A 30 120.931 0.275 -5.964 1.00 0.32 N ATOM 429 CA LEU A 30 121.973 1.120 -5.315 1.00 0.32 C ATOM 430 C LEU A 30 123.335 0.800 -5.926 1.00 0.32 C ATOM 431 O LEU A 30 124.145 1.675 -6.159 1.00 0.33 O ATOM 432 CB LEU A 30 122.011 0.835 -3.811 1.00 0.32 C ATOM 433 CG LEU A 30 120.654 1.167 -3.174 1.00 0.35 C ATOM 434 CD1 LEU A 30 120.678 0.749 -1.701 1.00 0.36 C ATOM 435 CD2 LEU A 30 120.374 2.679 -3.276 1.00 0.40 C ATOM 0 H LEU A 30 120.508 -0.429 -5.360 1.00 0.32 H new ATOM 0 HA LEU A 30 121.735 2.172 -5.475 1.00 0.32 H new ATOM 0 HB2 LEU A 30 122.255 -0.213 -3.638 1.00 0.32 H new ATOM 0 HB3 LEU A 30 122.796 1.427 -3.341 1.00 0.32 H new ATOM 0 HG LEU A 30 119.867 0.628 -3.701 1.00 0.35 H new ATOM 0 HD11 LEU A 30 119.718 0.982 -1.241 1.00 0.36 H new ATOM 0 HD12 LEU A 30 120.864 -0.323 -1.630 1.00 0.36 H new ATOM 0 HD13 LEU A 30 121.469 1.290 -1.182 1.00 0.36 H new ATOM 0 HD21 LEU A 30 119.409 2.902 -2.821 1.00 0.40 H new ATOM 0 HD22 LEU A 30 121.157 3.230 -2.755 1.00 0.40 H new ATOM 0 HD23 LEU A 30 120.358 2.976 -4.325 1.00 0.40 H new ATOM 447 N GLY A 31 123.593 -0.449 -6.187 1.00 0.33 N ATOM 448 CA GLY A 31 124.902 -0.822 -6.784 1.00 0.34 C ATOM 449 C GLY A 31 125.063 -0.117 -8.130 1.00 0.35 C ATOM 450 O GLY A 31 126.130 0.346 -8.473 1.00 0.35 O ATOM 0 H GLY A 31 122.955 -1.226 -6.013 1.00 0.33 H new ATOM 0 HA2 GLY A 31 125.714 -0.540 -6.114 1.00 0.34 H new ATOM 0 HA3 GLY A 31 124.959 -1.902 -6.917 1.00 0.34 H new ATOM 454 N LYS A 32 124.010 -0.038 -8.898 1.00 0.35 N ATOM 455 CA LYS A 32 124.098 0.624 -10.230 1.00 0.37 C ATOM 456 C LYS A 32 124.500 2.098 -10.077 1.00 0.36 C ATOM 457 O LYS A 32 125.270 2.615 -10.863 1.00 0.38 O ATOM 458 CB LYS A 32 122.737 0.531 -10.921 1.00 0.39 C ATOM 459 CG LYS A 32 122.864 0.984 -12.378 1.00 1.18 C ATOM 460 CD LYS A 32 121.489 0.946 -13.059 1.00 1.37 C ATOM 461 CE LYS A 32 120.946 -0.489 -13.082 1.00 2.06 C ATOM 462 NZ LYS A 32 119.946 -0.622 -14.179 1.00 2.74 N ATOM 0 H LYS A 32 123.089 -0.405 -8.658 1.00 0.35 H new ATOM 0 HA LYS A 32 124.858 0.121 -10.829 1.00 0.37 H new ATOM 0 HB2 LYS A 32 122.367 -0.493 -10.880 1.00 0.39 H new ATOM 0 HB3 LYS A 32 122.010 1.153 -10.399 1.00 0.39 H new ATOM 0 HG2 LYS A 32 123.272 1.994 -12.420 1.00 1.18 H new ATOM 0 HG3 LYS A 32 123.561 0.336 -12.910 1.00 1.18 H new ATOM 0 HD2 LYS A 32 120.794 1.597 -12.528 1.00 1.37 H new ATOM 0 HD3 LYS A 32 121.569 1.328 -14.077 1.00 1.37 H new ATOM 0 HE2 LYS A 32 121.762 -1.196 -13.231 1.00 2.06 H new ATOM 0 HE3 LYS A 32 120.486 -0.731 -12.124 1.00 2.06 H new ATOM 0 HZ1 LYS A 32 119.577 -1.594 -14.196 1.00 2.74 H new ATOM 0 HZ2 LYS A 32 119.163 0.043 -14.017 1.00 2.74 H new ATOM 0 HZ3 LYS A 32 120.400 -0.408 -15.090 1.00 2.74 H new ATOM 476 N LYS A 33 123.985 2.788 -9.096 1.00 0.35 N ATOM 477 CA LYS A 33 124.351 4.229 -8.946 1.00 0.36 C ATOM 478 C LYS A 33 125.837 4.362 -8.591 1.00 0.34 C ATOM 479 O LYS A 33 126.531 5.213 -9.112 1.00 0.36 O ATOM 480 CB LYS A 33 123.515 4.857 -7.828 1.00 0.36 C ATOM 481 CG LYS A 33 122.056 4.972 -8.273 1.00 0.39 C ATOM 482 CD LYS A 33 121.232 5.602 -7.148 1.00 0.64 C ATOM 483 CE LYS A 33 119.771 5.722 -7.583 1.00 0.65 C ATOM 484 NZ LYS A 33 119.628 6.870 -8.523 1.00 1.54 N ATOM 0 H LYS A 33 123.335 2.424 -8.399 1.00 0.35 H new ATOM 0 HA LYS A 33 124.156 4.740 -9.889 1.00 0.36 H new ATOM 0 HB2 LYS A 33 123.583 4.249 -6.926 1.00 0.36 H new ATOM 0 HB3 LYS A 33 123.907 5.843 -7.578 1.00 0.36 H new ATOM 0 HG2 LYS A 33 121.986 5.580 -9.175 1.00 0.39 H new ATOM 0 HG3 LYS A 33 121.661 3.987 -8.521 1.00 0.39 H new ATOM 0 HD2 LYS A 33 121.304 4.993 -6.247 1.00 0.64 H new ATOM 0 HD3 LYS A 33 121.630 6.586 -6.900 1.00 0.64 H new ATOM 0 HE2 LYS A 33 119.447 4.800 -8.065 1.00 0.65 H new ATOM 0 HE3 LYS A 33 119.132 5.868 -6.713 1.00 0.65 H new ATOM 0 HZ1 LYS A 33 118.621 7.028 -8.727 1.00 1.54 H new ATOM 0 HZ2 LYS A 33 120.032 7.725 -8.090 1.00 1.54 H new ATOM 0 HZ3 LYS A 33 120.132 6.659 -9.408 1.00 1.54 H new ATOM 498 N LEU A 34 126.333 3.528 -7.722 1.00 0.32 N ATOM 499 CA LEU A 34 127.778 3.610 -7.356 1.00 0.31 C ATOM 500 C LEU A 34 128.628 3.395 -8.616 1.00 0.31 C ATOM 501 O LEU A 34 129.642 4.032 -8.815 1.00 0.33 O ATOM 502 CB LEU A 34 128.107 2.540 -6.306 1.00 0.29 C ATOM 503 CG LEU A 34 127.438 2.888 -4.963 1.00 0.30 C ATOM 504 CD1 LEU A 34 127.457 1.653 -4.058 1.00 0.30 C ATOM 505 CD2 LEU A 34 128.190 4.037 -4.260 1.00 0.34 C ATOM 0 H LEU A 34 125.805 2.795 -7.249 1.00 0.32 H new ATOM 0 HA LEU A 34 127.998 4.591 -6.936 1.00 0.31 H new ATOM 0 HB2 LEU A 34 127.763 1.565 -6.650 1.00 0.29 H new ATOM 0 HB3 LEU A 34 129.187 2.469 -6.175 1.00 0.29 H new ATOM 0 HG LEU A 34 126.413 3.204 -5.155 1.00 0.30 H new ATOM 0 HD11 LEU A 34 126.985 1.893 -3.105 1.00 0.30 H new ATOM 0 HD12 LEU A 34 126.912 0.841 -4.539 1.00 0.30 H new ATOM 0 HD13 LEU A 34 128.488 1.345 -3.884 1.00 0.30 H new ATOM 0 HD21 LEU A 34 127.701 4.267 -3.313 1.00 0.34 H new ATOM 0 HD22 LEU A 34 129.221 3.736 -4.072 1.00 0.34 H new ATOM 0 HD23 LEU A 34 128.181 4.921 -4.897 1.00 0.34 H new ATOM 517 N GLU A 35 128.218 2.489 -9.455 1.00 0.32 N ATOM 518 CA GLU A 35 129.010 2.226 -10.695 1.00 0.34 C ATOM 519 C GLU A 35 129.094 3.505 -11.533 1.00 0.37 C ATOM 520 O GLU A 35 130.122 3.824 -12.097 1.00 0.39 O ATOM 521 CB GLU A 35 128.346 1.123 -11.521 1.00 0.35 C ATOM 522 CG GLU A 35 128.448 -0.208 -10.776 1.00 0.93 C ATOM 523 CD GLU A 35 127.783 -1.308 -11.604 1.00 1.02 C ATOM 524 OE1 GLU A 35 127.163 -0.978 -12.602 1.00 1.67 O ATOM 525 OE2 GLU A 35 127.903 -2.462 -11.225 1.00 1.36 O ATOM 0 H GLU A 35 127.378 1.922 -9.342 1.00 0.32 H new ATOM 0 HA GLU A 35 130.013 1.906 -10.411 1.00 0.34 H new ATOM 0 HB2 GLU A 35 127.300 1.370 -11.702 1.00 0.35 H new ATOM 0 HB3 GLU A 35 128.829 1.044 -12.495 1.00 0.35 H new ATOM 0 HG2 GLU A 35 129.494 -0.456 -10.595 1.00 0.93 H new ATOM 0 HG3 GLU A 35 127.966 -0.130 -9.802 1.00 0.93 H new ATOM 532 N GLU A 36 128.021 4.244 -11.612 1.00 0.39 N ATOM 533 CA GLU A 36 128.037 5.506 -12.407 1.00 0.43 C ATOM 534 C GLU A 36 128.928 6.523 -11.698 1.00 0.45 C ATOM 535 O GLU A 36 129.375 7.494 -12.278 1.00 0.49 O ATOM 536 CB GLU A 36 126.617 6.066 -12.517 1.00 0.45 C ATOM 537 CG GLU A 36 125.778 5.155 -13.416 1.00 1.12 C ATOM 538 CD GLU A 36 124.358 5.716 -13.527 1.00 1.39 C ATOM 539 OE1 GLU A 36 124.069 6.680 -12.839 1.00 1.86 O ATOM 540 OE2 GLU A 36 123.585 5.167 -14.294 1.00 2.00 O ATOM 0 H GLU A 36 127.133 4.028 -11.160 1.00 0.39 H new ATOM 0 HA GLU A 36 128.421 5.305 -13.407 1.00 0.43 H new ATOM 0 HB2 GLU A 36 126.164 6.136 -11.528 1.00 0.45 H new ATOM 0 HB3 GLU A 36 126.643 7.075 -12.927 1.00 0.45 H new ATOM 0 HG2 GLU A 36 126.231 5.085 -14.405 1.00 1.12 H new ATOM 0 HG3 GLU A 36 125.751 4.146 -13.005 1.00 1.12 H new ATOM 547 N ARG A 37 129.170 6.311 -10.436 1.00 0.42 N ATOM 548 CA ARG A 37 130.011 7.266 -9.659 1.00 0.45 C ATOM 549 C ARG A 37 131.479 6.840 -9.743 1.00 0.42 C ATOM 550 O ARG A 37 132.350 7.482 -9.189 1.00 0.43 O ATOM 551 CB ARG A 37 129.551 7.263 -8.195 1.00 0.45 C ATOM 552 CG ARG A 37 128.102 7.763 -8.090 1.00 0.53 C ATOM 553 CD ARG A 37 128.058 9.295 -8.151 1.00 0.86 C ATOM 554 NE ARG A 37 126.664 9.757 -7.901 1.00 1.42 N ATOM 555 CZ ARG A 37 126.434 11.008 -7.614 1.00 1.88 C ATOM 556 NH1 ARG A 37 127.428 11.851 -7.536 1.00 2.15 N ATOM 557 NH2 ARG A 37 125.213 11.417 -7.405 1.00 2.69 N ATOM 0 H ARG A 37 128.820 5.513 -9.905 1.00 0.42 H new ATOM 0 HA ARG A 37 129.907 8.270 -10.071 1.00 0.45 H new ATOM 0 HB2 ARG A 37 129.626 6.256 -7.785 1.00 0.45 H new ATOM 0 HB3 ARG A 37 130.206 7.899 -7.600 1.00 0.45 H new ATOM 0 HG2 ARG A 37 127.506 7.343 -8.901 1.00 0.53 H new ATOM 0 HG3 ARG A 37 127.658 7.417 -7.156 1.00 0.53 H new ATOM 0 HD2 ARG A 37 128.733 9.720 -7.408 1.00 0.86 H new ATOM 0 HD3 ARG A 37 128.399 9.642 -9.127 1.00 0.86 H new ATOM 0 HE ARG A 37 125.890 9.095 -7.954 1.00 1.42 H new ATOM 0 HH11 ARG A 37 128.382 11.531 -7.699 1.00 2.15 H new ATOM 0 HH12 ARG A 37 127.250 12.830 -7.312 1.00 2.15 H new ATOM 0 HH21 ARG A 37 124.437 10.758 -7.466 1.00 2.69 H new ATOM 0 HH22 ARG A 37 125.034 12.396 -7.181 1.00 2.69 H new ATOM 571 N GLY A 38 131.767 5.784 -10.462 1.00 0.40 N ATOM 572 CA GLY A 38 133.188 5.339 -10.619 1.00 0.39 C ATOM 573 C GLY A 38 133.504 4.174 -9.680 1.00 0.37 C ATOM 574 O GLY A 38 134.588 4.093 -9.135 1.00 0.48 O ATOM 0 H GLY A 38 131.079 5.209 -10.948 1.00 0.40 H new ATOM 0 HA2 GLY A 38 133.367 5.038 -11.651 1.00 0.39 H new ATOM 0 HA3 GLY A 38 133.859 6.172 -10.410 1.00 0.39 H new ATOM 578 N PHE A 39 132.586 3.261 -9.501 1.00 0.31 N ATOM 579 CA PHE A 39 132.831 2.080 -8.616 1.00 0.28 C ATOM 580 C PHE A 39 132.392 0.819 -9.364 1.00 0.28 C ATOM 581 O PHE A 39 131.371 0.235 -9.059 1.00 0.28 O ATOM 582 CB PHE A 39 131.991 2.218 -7.347 1.00 0.27 C ATOM 583 CG PHE A 39 132.527 3.337 -6.484 1.00 0.28 C ATOM 584 CD1 PHE A 39 132.104 4.650 -6.710 1.00 0.31 C ATOM 585 CD2 PHE A 39 133.429 3.060 -5.451 1.00 0.28 C ATOM 586 CE1 PHE A 39 132.584 5.691 -5.905 1.00 0.33 C ATOM 587 CE2 PHE A 39 133.912 4.101 -4.646 1.00 0.30 C ATOM 588 CZ PHE A 39 133.489 5.415 -4.873 1.00 0.32 C ATOM 0 H PHE A 39 131.664 3.282 -9.936 1.00 0.31 H new ATOM 0 HA PHE A 39 133.887 2.021 -8.352 1.00 0.28 H new ATOM 0 HB2 PHE A 39 130.952 2.418 -7.610 1.00 0.27 H new ATOM 0 HB3 PHE A 39 132.004 1.281 -6.790 1.00 0.27 H new ATOM 0 HD1 PHE A 39 131.406 4.862 -7.506 1.00 0.31 H new ATOM 0 HD2 PHE A 39 133.753 2.045 -5.274 1.00 0.28 H new ATOM 0 HE1 PHE A 39 132.256 6.705 -6.080 1.00 0.33 H new ATOM 0 HE2 PHE A 39 134.611 3.889 -3.850 1.00 0.30 H new ATOM 0 HZ PHE A 39 133.861 6.217 -4.252 1.00 0.32 H new ATOM 598 N ASP A 40 133.129 0.411 -10.362 1.00 0.30 N ATOM 599 CA ASP A 40 132.713 -0.789 -11.141 1.00 0.31 C ATOM 600 C ASP A 40 132.995 -2.068 -10.347 1.00 0.29 C ATOM 601 O ASP A 40 132.528 -3.131 -10.703 1.00 0.30 O ATOM 602 CB ASP A 40 133.492 -0.827 -12.459 1.00 0.35 C ATOM 603 CG ASP A 40 134.990 -0.944 -12.168 1.00 0.37 C ATOM 604 OD1 ASP A 40 135.384 -0.621 -11.060 1.00 0.37 O ATOM 605 OD2 ASP A 40 135.717 -1.353 -13.059 1.00 0.41 O ATOM 0 H ASP A 40 133.995 0.854 -10.669 1.00 0.30 H new ATOM 0 HA ASP A 40 131.643 -0.729 -11.340 1.00 0.31 H new ATOM 0 HB2 ASP A 40 133.162 -1.672 -13.064 1.00 0.35 H new ATOM 0 HB3 ASP A 40 133.293 0.076 -13.037 1.00 0.35 H new ATOM 610 N LYS A 41 133.750 -1.982 -9.276 1.00 0.28 N ATOM 611 CA LYS A 41 134.055 -3.206 -8.462 1.00 0.28 C ATOM 612 C LYS A 41 133.872 -2.887 -6.972 1.00 0.23 C ATOM 613 O LYS A 41 133.925 -1.746 -6.558 1.00 0.23 O ATOM 614 CB LYS A 41 135.501 -3.642 -8.720 1.00 0.34 C ATOM 615 CG LYS A 41 135.703 -3.955 -10.213 1.00 0.48 C ATOM 616 CD LYS A 41 134.958 -5.239 -10.606 1.00 0.74 C ATOM 617 CE LYS A 41 135.517 -5.766 -11.931 1.00 0.71 C ATOM 618 NZ LYS A 41 135.554 -4.659 -12.929 1.00 1.56 N ATOM 0 H LYS A 41 134.168 -1.118 -8.930 1.00 0.28 H new ATOM 0 HA LYS A 41 133.378 -4.011 -8.746 1.00 0.28 H new ATOM 0 HB2 LYS A 41 136.187 -2.854 -8.410 1.00 0.34 H new ATOM 0 HB3 LYS A 41 135.736 -4.522 -8.121 1.00 0.34 H new ATOM 0 HG2 LYS A 41 135.343 -3.121 -10.816 1.00 0.48 H new ATOM 0 HG3 LYS A 41 136.766 -4.067 -10.425 1.00 0.48 H new ATOM 0 HD2 LYS A 41 135.071 -5.992 -9.826 1.00 0.74 H new ATOM 0 HD3 LYS A 41 133.891 -5.038 -10.703 1.00 0.74 H new ATOM 0 HE2 LYS A 41 136.519 -6.169 -11.781 1.00 0.71 H new ATOM 0 HE3 LYS A 41 134.897 -6.583 -12.301 1.00 0.71 H new ATOM 0 HZ1 LYS A 41 135.584 -5.058 -13.889 1.00 1.56 H new ATOM 0 HZ2 LYS A 41 134.704 -4.069 -12.825 1.00 1.56 H new ATOM 0 HZ3 LYS A 41 136.401 -4.076 -12.770 1.00 1.56 H new ATOM 632 N ALA A 42 133.638 -3.892 -6.170 1.00 0.21 N ATOM 633 CA ALA A 42 133.425 -3.668 -4.706 1.00 0.20 C ATOM 634 C ALA A 42 134.692 -3.131 -4.024 1.00 0.18 C ATOM 635 O ALA A 42 134.619 -2.297 -3.143 1.00 0.18 O ATOM 636 CB ALA A 42 133.032 -4.996 -4.050 1.00 0.21 C ATOM 0 H ALA A 42 133.585 -4.866 -6.467 1.00 0.21 H new ATOM 0 HA ALA A 42 132.635 -2.927 -4.588 1.00 0.20 H new ATOM 0 HB1 ALA A 42 132.875 -4.842 -2.982 1.00 0.21 H new ATOM 0 HB2 ALA A 42 132.112 -5.367 -4.502 1.00 0.21 H new ATOM 0 HB3 ALA A 42 133.829 -5.725 -4.198 1.00 0.21 H new ATOM 642 N TYR A 43 135.842 -3.628 -4.379 1.00 0.19 N ATOM 643 CA TYR A 43 137.086 -3.165 -3.695 1.00 0.18 C ATOM 644 C TYR A 43 137.257 -1.648 -3.848 1.00 0.17 C ATOM 645 O TYR A 43 137.993 -1.026 -3.109 1.00 0.17 O ATOM 646 CB TYR A 43 138.314 -3.910 -4.238 1.00 0.20 C ATOM 647 CG TYR A 43 138.794 -3.316 -5.542 1.00 0.21 C ATOM 648 CD1 TYR A 43 139.724 -2.271 -5.524 1.00 0.21 C ATOM 649 CD2 TYR A 43 138.331 -3.819 -6.761 1.00 0.24 C ATOM 650 CE1 TYR A 43 140.192 -1.727 -6.723 1.00 0.25 C ATOM 651 CE2 TYR A 43 138.796 -3.271 -7.962 1.00 0.28 C ATOM 652 CZ TYR A 43 139.728 -2.228 -7.944 1.00 0.28 C ATOM 653 OH TYR A 43 140.188 -1.693 -9.130 1.00 0.32 O ATOM 0 H TYR A 43 135.978 -4.329 -5.107 1.00 0.19 H new ATOM 0 HA TYR A 43 136.995 -3.391 -2.632 1.00 0.18 H new ATOM 0 HB2 TYR A 43 139.118 -3.872 -3.503 1.00 0.20 H new ATOM 0 HB3 TYR A 43 138.067 -4.961 -4.386 1.00 0.20 H new ATOM 0 HD1 TYR A 43 140.081 -1.884 -4.581 1.00 0.21 H new ATOM 0 HD2 TYR A 43 137.616 -4.628 -6.776 1.00 0.24 H new ATOM 0 HE1 TYR A 43 140.911 -0.921 -6.707 1.00 0.25 H new ATOM 0 HE2 TYR A 43 138.434 -3.654 -8.905 1.00 0.28 H new ATOM 0 HH TYR A 43 139.766 -2.156 -9.883 1.00 0.32 H new ATOM 663 N VAL A 44 136.572 -1.041 -4.777 1.00 0.18 N ATOM 664 CA VAL A 44 136.697 0.436 -4.935 1.00 0.18 C ATOM 665 C VAL A 44 135.821 1.100 -3.864 1.00 0.17 C ATOM 666 O VAL A 44 136.121 2.161 -3.348 1.00 0.18 O ATOM 667 CB VAL A 44 136.227 0.843 -6.337 1.00 0.20 C ATOM 668 CG1 VAL A 44 136.445 2.345 -6.545 1.00 0.22 C ATOM 669 CG2 VAL A 44 137.029 0.065 -7.382 1.00 0.24 C ATOM 0 H VAL A 44 135.936 -1.499 -5.429 1.00 0.18 H new ATOM 0 HA VAL A 44 137.733 0.752 -4.816 1.00 0.18 H new ATOM 0 HB VAL A 44 135.166 0.618 -6.441 1.00 0.20 H new ATOM 0 HG11 VAL A 44 136.109 2.627 -7.543 1.00 0.22 H new ATOM 0 HG12 VAL A 44 135.877 2.902 -5.800 1.00 0.22 H new ATOM 0 HG13 VAL A 44 137.505 2.577 -6.440 1.00 0.22 H new ATOM 0 HG21 VAL A 44 136.699 0.351 -8.381 1.00 0.24 H new ATOM 0 HG22 VAL A 44 138.089 0.293 -7.271 1.00 0.24 H new ATOM 0 HG23 VAL A 44 136.871 -1.004 -7.240 1.00 0.24 H new ATOM 679 N VAL A 45 134.747 0.440 -3.522 1.00 0.17 N ATOM 680 CA VAL A 45 133.828 0.971 -2.476 1.00 0.17 C ATOM 681 C VAL A 45 134.486 0.740 -1.118 1.00 0.16 C ATOM 682 O VAL A 45 134.439 1.579 -0.241 1.00 0.16 O ATOM 683 CB VAL A 45 132.488 0.233 -2.533 1.00 0.18 C ATOM 684 CG1 VAL A 45 131.635 0.619 -1.322 1.00 0.22 C ATOM 685 CG2 VAL A 45 131.747 0.614 -3.817 1.00 0.20 C ATOM 0 H VAL A 45 134.465 -0.453 -3.927 1.00 0.17 H new ATOM 0 HA VAL A 45 133.643 2.033 -2.637 1.00 0.17 H new ATOM 0 HB VAL A 45 132.669 -0.842 -2.522 1.00 0.18 H new ATOM 0 HG11 VAL A 45 130.682 0.092 -1.366 1.00 0.22 H new ATOM 0 HG12 VAL A 45 132.159 0.346 -0.406 1.00 0.22 H new ATOM 0 HG13 VAL A 45 131.456 1.694 -1.331 1.00 0.22 H new ATOM 0 HG21 VAL A 45 130.793 0.088 -3.856 1.00 0.20 H new ATOM 0 HG22 VAL A 45 131.569 1.689 -3.829 1.00 0.20 H new ATOM 0 HG23 VAL A 45 132.350 0.336 -4.681 1.00 0.20 H new ATOM 695 N LEU A 46 135.131 -0.381 -0.954 1.00 0.17 N ATOM 696 CA LEU A 46 135.829 -0.655 0.329 1.00 0.18 C ATOM 697 C LEU A 46 136.864 0.447 0.526 1.00 0.17 C ATOM 698 O LEU A 46 137.083 0.931 1.619 1.00 0.18 O ATOM 699 CB LEU A 46 136.515 -2.028 0.245 1.00 0.22 C ATOM 700 CG LEU A 46 137.357 -2.304 1.503 1.00 0.25 C ATOM 701 CD1 LEU A 46 136.457 -2.366 2.742 1.00 0.40 C ATOM 702 CD2 LEU A 46 138.093 -3.638 1.340 1.00 0.35 C ATOM 0 H LEU A 46 135.204 -1.119 -1.655 1.00 0.17 H new ATOM 0 HA LEU A 46 135.132 -0.670 1.167 1.00 0.18 H new ATOM 0 HB2 LEU A 46 135.762 -2.808 0.129 1.00 0.22 H new ATOM 0 HB3 LEU A 46 137.152 -2.066 -0.639 1.00 0.22 H new ATOM 0 HG LEU A 46 138.078 -1.497 1.630 1.00 0.25 H new ATOM 0 HD11 LEU A 46 137.066 -2.562 3.625 1.00 0.40 H new ATOM 0 HD12 LEU A 46 135.938 -1.415 2.863 1.00 0.40 H new ATOM 0 HD13 LEU A 46 135.726 -3.165 2.621 1.00 0.40 H new ATOM 0 HD21 LEU A 46 138.690 -3.835 2.230 1.00 0.35 H new ATOM 0 HD22 LEU A 46 137.367 -4.440 1.205 1.00 0.35 H new ATOM 0 HD23 LEU A 46 138.746 -3.589 0.469 1.00 0.35 H new ATOM 714 N GLY A 47 137.500 0.847 -0.540 1.00 0.17 N ATOM 715 CA GLY A 47 138.524 1.920 -0.455 1.00 0.18 C ATOM 716 C GLY A 47 137.928 3.158 0.212 1.00 0.18 C ATOM 717 O GLY A 47 138.529 3.750 1.085 1.00 0.18 O ATOM 0 H GLY A 47 137.350 0.470 -1.476 1.00 0.17 H new ATOM 0 HA2 GLY A 47 139.385 1.569 0.114 1.00 0.18 H new ATOM 0 HA3 GLY A 47 138.883 2.172 -1.453 1.00 0.18 H new ATOM 721 N GLN A 48 136.751 3.558 -0.188 1.00 0.17 N ATOM 722 CA GLN A 48 136.129 4.765 0.430 1.00 0.18 C ATOM 723 C GLN A 48 135.948 4.545 1.936 1.00 0.17 C ATOM 724 O GLN A 48 136.210 5.422 2.733 1.00 0.18 O ATOM 725 CB GLN A 48 134.762 5.010 -0.213 1.00 0.19 C ATOM 726 CG GLN A 48 134.215 6.368 0.235 1.00 0.22 C ATOM 727 CD GLN A 48 135.020 7.490 -0.423 1.00 0.28 C ATOM 728 OE1 GLN A 48 135.380 7.396 -1.581 1.00 0.98 O ATOM 729 NE2 GLN A 48 135.312 8.559 0.265 1.00 1.09 N ATOM 0 H GLN A 48 136.195 3.104 -0.913 1.00 0.17 H new ATOM 0 HA GLN A 48 136.776 5.627 0.269 1.00 0.18 H new ATOM 0 HB2 GLN A 48 134.851 4.984 -1.299 1.00 0.19 H new ATOM 0 HB3 GLN A 48 134.069 4.217 0.070 1.00 0.19 H new ATOM 0 HG2 GLN A 48 133.163 6.455 -0.036 1.00 0.22 H new ATOM 0 HG3 GLN A 48 134.272 6.454 1.320 1.00 0.22 H new ATOM 0 HE21 GLN A 48 135.010 8.639 1.236 1.00 1.09 H new ATOM 0 HE22 GLN A 48 135.842 9.315 -0.168 1.00 1.09 H new ATOM 738 N PHE A 49 135.508 3.384 2.333 1.00 0.17 N ATOM 739 CA PHE A 49 135.313 3.112 3.788 1.00 0.17 C ATOM 740 C PHE A 49 136.658 3.271 4.501 1.00 0.18 C ATOM 741 O PHE A 49 136.742 3.804 5.590 1.00 0.19 O ATOM 742 CB PHE A 49 134.791 1.681 3.954 1.00 0.17 C ATOM 743 CG PHE A 49 134.580 1.364 5.418 1.00 0.19 C ATOM 744 CD1 PHE A 49 133.547 1.991 6.125 1.00 0.23 C ATOM 745 CD2 PHE A 49 135.401 0.429 6.062 1.00 0.28 C ATOM 746 CE1 PHE A 49 133.337 1.687 7.476 1.00 0.26 C ATOM 747 CE2 PHE A 49 135.193 0.127 7.413 1.00 0.31 C ATOM 748 CZ PHE A 49 134.161 0.753 8.119 1.00 0.26 C ATOM 0 H PHE A 49 135.274 2.609 1.713 1.00 0.17 H new ATOM 0 HA PHE A 49 134.594 3.809 4.219 1.00 0.17 H new ATOM 0 HB2 PHE A 49 133.853 1.564 3.411 1.00 0.17 H new ATOM 0 HB3 PHE A 49 135.500 0.976 3.521 1.00 0.17 H new ATOM 0 HD1 PHE A 49 132.912 2.709 5.628 1.00 0.23 H new ATOM 0 HD2 PHE A 49 136.195 -0.059 5.516 1.00 0.28 H new ATOM 0 HE1 PHE A 49 132.541 2.172 8.022 1.00 0.26 H new ATOM 0 HE2 PHE A 49 135.830 -0.590 7.910 1.00 0.31 H new ATOM 0 HZ PHE A 49 133.999 0.517 9.160 1.00 0.26 H new ATOM 758 N LEU A 50 137.701 2.815 3.887 1.00 0.19 N ATOM 759 CA LEU A 50 139.042 2.938 4.520 1.00 0.21 C ATOM 760 C LEU A 50 139.454 4.421 4.514 1.00 0.21 C ATOM 761 O LEU A 50 140.054 4.910 5.450 1.00 0.23 O ATOM 762 CB LEU A 50 140.050 2.085 3.734 1.00 0.23 C ATOM 763 CG LEU A 50 139.711 0.585 3.880 1.00 0.23 C ATOM 764 CD1 LEU A 50 140.347 -0.206 2.731 1.00 0.28 C ATOM 765 CD2 LEU A 50 140.266 0.037 5.203 1.00 0.28 C ATOM 0 H LEU A 50 137.689 2.361 2.974 1.00 0.19 H new ATOM 0 HA LEU A 50 139.017 2.581 5.550 1.00 0.21 H new ATOM 0 HB2 LEU A 50 140.034 2.368 2.681 1.00 0.23 H new ATOM 0 HB3 LEU A 50 141.060 2.274 4.099 1.00 0.23 H new ATOM 0 HG LEU A 50 138.626 0.478 3.861 1.00 0.23 H new ATOM 0 HD11 LEU A 50 140.105 -1.263 2.839 1.00 0.28 H new ATOM 0 HD12 LEU A 50 139.960 0.160 1.780 1.00 0.28 H new ATOM 0 HD13 LEU A 50 141.429 -0.077 2.756 1.00 0.28 H new ATOM 0 HD21 LEU A 50 140.019 -1.021 5.291 1.00 0.28 H new ATOM 0 HD22 LEU A 50 141.349 0.159 5.222 1.00 0.28 H new ATOM 0 HD23 LEU A 50 139.825 0.583 6.037 1.00 0.28 H new ATOM 777 N VAL A 51 139.146 5.133 3.462 1.00 0.21 N ATOM 778 CA VAL A 51 139.526 6.582 3.381 1.00 0.23 C ATOM 779 C VAL A 51 138.758 7.407 4.432 1.00 0.23 C ATOM 780 O VAL A 51 139.174 8.484 4.809 1.00 0.24 O ATOM 781 CB VAL A 51 139.208 7.114 1.973 1.00 0.25 C ATOM 782 CG1 VAL A 51 139.298 8.645 1.951 1.00 0.28 C ATOM 783 CG2 VAL A 51 140.214 6.540 0.974 1.00 0.27 C ATOM 0 H VAL A 51 138.645 4.775 2.649 1.00 0.21 H new ATOM 0 HA VAL A 51 140.593 6.676 3.581 1.00 0.23 H new ATOM 0 HB VAL A 51 138.197 6.811 1.702 1.00 0.25 H new ATOM 0 HG11 VAL A 51 139.071 9.008 0.949 1.00 0.28 H new ATOM 0 HG12 VAL A 51 138.582 9.062 2.659 1.00 0.28 H new ATOM 0 HG13 VAL A 51 140.305 8.954 2.229 1.00 0.28 H new ATOM 0 HG21 VAL A 51 139.990 6.916 -0.024 1.00 0.27 H new ATOM 0 HG22 VAL A 51 141.222 6.842 1.258 1.00 0.27 H new ATOM 0 HG23 VAL A 51 140.148 5.452 0.975 1.00 0.27 H new ATOM 793 N LEU A 52 137.639 6.918 4.894 1.00 0.22 N ATOM 794 CA LEU A 52 136.845 7.689 5.908 1.00 0.23 C ATOM 795 C LEU A 52 137.279 7.288 7.316 1.00 0.23 C ATOM 796 O LEU A 52 136.576 7.523 8.279 1.00 0.24 O ATOM 797 CB LEU A 52 135.354 7.398 5.734 1.00 0.24 C ATOM 798 CG LEU A 52 134.873 7.907 4.368 1.00 0.25 C ATOM 799 CD1 LEU A 52 133.414 7.493 4.175 1.00 0.31 C ATOM 800 CD2 LEU A 52 134.986 9.444 4.296 1.00 0.27 C ATOM 0 H LEU A 52 137.237 6.022 4.618 1.00 0.22 H new ATOM 0 HA LEU A 52 137.023 8.754 5.762 1.00 0.23 H new ATOM 0 HB2 LEU A 52 135.173 6.326 5.816 1.00 0.24 H new ATOM 0 HB3 LEU A 52 134.786 7.879 6.531 1.00 0.24 H new ATOM 0 HG LEU A 52 135.494 7.476 3.583 1.00 0.25 H new ATOM 0 HD11 LEU A 52 133.060 7.849 3.208 1.00 0.31 H new ATOM 0 HD12 LEU A 52 133.336 6.406 4.213 1.00 0.31 H new ATOM 0 HD13 LEU A 52 132.804 7.928 4.967 1.00 0.31 H new ATOM 0 HD21 LEU A 52 134.641 9.789 3.321 1.00 0.27 H new ATOM 0 HD22 LEU A 52 134.371 9.891 5.077 1.00 0.27 H new ATOM 0 HD23 LEU A 52 136.025 9.739 4.438 1.00 0.27 H new ATOM 812 N LYS A 53 138.421 6.683 7.451 1.00 0.22 N ATOM 813 CA LYS A 53 138.890 6.269 8.799 1.00 0.23 C ATOM 814 C LYS A 53 137.798 5.456 9.495 1.00 0.24 C ATOM 815 O LYS A 53 137.692 5.455 10.705 1.00 0.30 O ATOM 816 CB LYS A 53 139.223 7.504 9.640 1.00 0.29 C ATOM 817 CG LYS A 53 140.454 8.195 9.056 1.00 0.38 C ATOM 818 CD LYS A 53 140.792 9.429 9.890 1.00 0.49 C ATOM 819 CE LYS A 53 142.025 10.119 9.302 1.00 0.90 C ATOM 820 NZ LYS A 53 142.562 11.103 10.285 1.00 1.70 N ATOM 0 H LYS A 53 139.053 6.456 6.683 1.00 0.22 H new ATOM 0 HA LYS A 53 139.786 5.658 8.691 1.00 0.23 H new ATOM 0 HB2 LYS A 53 138.377 8.191 9.650 1.00 0.29 H new ATOM 0 HB3 LYS A 53 139.410 7.214 10.674 1.00 0.29 H new ATOM 0 HG2 LYS A 53 141.300 7.507 9.047 1.00 0.38 H new ATOM 0 HG3 LYS A 53 140.266 8.483 8.022 1.00 0.38 H new ATOM 0 HD2 LYS A 53 139.947 10.117 9.900 1.00 0.49 H new ATOM 0 HD3 LYS A 53 140.981 9.142 10.924 1.00 0.49 H new ATOM 0 HE2 LYS A 53 142.787 9.379 9.059 1.00 0.90 H new ATOM 0 HE3 LYS A 53 141.763 10.624 8.372 1.00 0.90 H new ATOM 0 HZ1 LYS A 53 143.400 11.572 9.885 1.00 1.70 H new ATOM 0 HZ2 LYS A 53 141.834 11.816 10.496 1.00 1.70 H new ATOM 0 HZ3 LYS A 53 142.827 10.609 11.161 1.00 1.70 H new ATOM 834 N LYS A 54 136.988 4.764 8.728 1.00 0.22 N ATOM 835 CA LYS A 54 135.891 3.927 9.304 1.00 0.25 C ATOM 836 C LYS A 54 134.929 4.807 10.106 1.00 0.27 C ATOM 837 O LYS A 54 134.172 4.321 10.922 1.00 0.33 O ATOM 838 CB LYS A 54 136.495 2.852 10.214 1.00 0.35 C ATOM 839 CG LYS A 54 137.509 2.036 9.410 1.00 0.67 C ATOM 840 CD LYS A 54 138.127 0.954 10.300 1.00 0.83 C ATOM 841 CE LYS A 54 139.150 0.146 9.493 1.00 1.41 C ATOM 842 NZ LYS A 54 140.092 -0.533 10.428 1.00 2.24 N ATOM 0 H LYS A 54 137.044 4.745 7.710 1.00 0.22 H new ATOM 0 HA LYS A 54 135.339 3.448 8.495 1.00 0.25 H new ATOM 0 HB2 LYS A 54 136.980 3.315 11.074 1.00 0.35 H new ATOM 0 HB3 LYS A 54 135.711 2.202 10.602 1.00 0.35 H new ATOM 0 HG2 LYS A 54 137.021 1.577 8.550 1.00 0.67 H new ATOM 0 HG3 LYS A 54 138.290 2.690 9.022 1.00 0.67 H new ATOM 0 HD2 LYS A 54 138.610 1.411 11.164 1.00 0.83 H new ATOM 0 HD3 LYS A 54 137.348 0.295 10.682 1.00 0.83 H new ATOM 0 HE2 LYS A 54 138.640 -0.592 8.873 1.00 1.41 H new ATOM 0 HE3 LYS A 54 139.699 0.803 8.819 1.00 1.41 H new ATOM 0 HZ1 LYS A 54 141.060 -0.198 10.249 1.00 2.24 H new ATOM 0 HZ2 LYS A 54 139.825 -0.314 11.409 1.00 2.24 H new ATOM 0 HZ3 LYS A 54 140.049 -1.561 10.279 1.00 2.24 H new ATOM 856 N ASP A 55 134.924 6.092 9.870 1.00 0.29 N ATOM 857 CA ASP A 55 133.972 6.963 10.616 1.00 0.39 C ATOM 858 C ASP A 55 132.554 6.635 10.128 1.00 0.37 C ATOM 859 O ASP A 55 132.220 6.828 8.977 1.00 0.37 O ATOM 860 CB ASP A 55 134.295 8.429 10.337 1.00 0.46 C ATOM 861 CG ASP A 55 133.367 9.328 11.156 1.00 1.18 C ATOM 862 OD1 ASP A 55 132.202 8.988 11.280 1.00 1.80 O ATOM 863 OD2 ASP A 55 133.837 10.344 11.642 1.00 1.55 O ATOM 0 H ASP A 55 135.529 6.570 9.203 1.00 0.29 H new ATOM 0 HA ASP A 55 134.051 6.789 11.689 1.00 0.39 H new ATOM 0 HB2 ASP A 55 135.335 8.637 10.590 1.00 0.46 H new ATOM 0 HB3 ASP A 55 134.177 8.641 9.274 1.00 0.46 H new ATOM 868 N GLU A 56 131.737 6.100 10.991 1.00 0.38 N ATOM 869 CA GLU A 56 130.353 5.700 10.595 1.00 0.37 C ATOM 870 C GLU A 56 129.508 6.885 10.097 1.00 0.38 C ATOM 871 O GLU A 56 128.753 6.755 9.161 1.00 0.37 O ATOM 872 CB GLU A 56 129.655 5.066 11.801 1.00 0.39 C ATOM 873 CG GLU A 56 128.297 4.501 11.374 1.00 0.41 C ATOM 874 CD GLU A 56 127.623 3.830 12.572 1.00 0.62 C ATOM 875 OE1 GLU A 56 128.219 3.827 13.637 1.00 0.87 O ATOM 876 OE2 GLU A 56 126.522 3.330 12.405 1.00 0.85 O ATOM 0 H GLU A 56 131.970 5.919 11.967 1.00 0.38 H new ATOM 0 HA GLU A 56 130.442 4.994 9.770 1.00 0.37 H new ATOM 0 HB2 GLU A 56 130.276 4.272 12.216 1.00 0.39 H new ATOM 0 HB3 GLU A 56 129.520 5.809 12.587 1.00 0.39 H new ATOM 0 HG2 GLU A 56 127.664 5.300 10.988 1.00 0.41 H new ATOM 0 HG3 GLU A 56 128.429 3.780 10.567 1.00 0.41 H new ATOM 883 N ASP A 57 129.608 8.030 10.711 1.00 0.40 N ATOM 884 CA ASP A 57 128.777 9.192 10.263 1.00 0.41 C ATOM 885 C ASP A 57 129.214 9.666 8.874 1.00 0.40 C ATOM 886 O ASP A 57 128.397 10.013 8.043 1.00 0.40 O ATOM 887 CB ASP A 57 128.928 10.344 11.260 1.00 0.45 C ATOM 888 CG ASP A 57 128.235 9.975 12.573 1.00 0.47 C ATOM 889 OD1 ASP A 57 127.408 9.077 12.550 1.00 0.64 O ATOM 890 OD2 ASP A 57 128.539 10.598 13.576 1.00 0.73 O ATOM 0 H ASP A 57 130.226 8.216 11.501 1.00 0.40 H new ATOM 0 HA ASP A 57 127.735 8.875 10.215 1.00 0.41 H new ATOM 0 HB2 ASP A 57 129.984 10.549 11.438 1.00 0.45 H new ATOM 0 HB3 ASP A 57 128.492 11.254 10.849 1.00 0.45 H new ATOM 895 N LEU A 58 130.480 9.683 8.613 1.00 0.40 N ATOM 896 CA LEU A 58 130.935 10.137 7.268 1.00 0.40 C ATOM 897 C LEU A 58 130.545 9.095 6.216 1.00 0.37 C ATOM 898 O LEU A 58 130.124 9.429 5.126 1.00 0.38 O ATOM 899 CB LEU A 58 132.454 10.344 7.253 1.00 0.40 C ATOM 900 CG LEU A 58 132.858 11.408 8.287 1.00 0.47 C ATOM 901 CD1 LEU A 58 134.380 11.589 8.258 1.00 0.45 C ATOM 902 CD2 LEU A 58 132.178 12.752 7.963 1.00 0.55 C ATOM 0 H LEU A 58 131.219 9.407 9.260 1.00 0.40 H new ATOM 0 HA LEU A 58 130.453 11.087 7.038 1.00 0.40 H new ATOM 0 HB2 LEU A 58 132.958 9.403 7.473 1.00 0.40 H new ATOM 0 HB3 LEU A 58 132.776 10.653 6.258 1.00 0.40 H new ATOM 0 HG LEU A 58 132.541 11.080 9.277 1.00 0.47 H new ATOM 0 HD11 LEU A 58 134.671 12.343 8.990 1.00 0.45 H new ATOM 0 HD12 LEU A 58 134.864 10.643 8.500 1.00 0.45 H new ATOM 0 HD13 LEU A 58 134.689 11.911 7.263 1.00 0.45 H new ATOM 0 HD21 LEU A 58 132.473 13.496 8.703 1.00 0.55 H new ATOM 0 HD22 LEU A 58 132.484 13.085 6.971 1.00 0.55 H new ATOM 0 HD23 LEU A 58 131.095 12.627 7.985 1.00 0.55 H new ATOM 914 N PHE A 59 130.653 7.835 6.540 1.00 0.36 N ATOM 915 CA PHE A 59 130.254 6.783 5.561 1.00 0.35 C ATOM 916 C PHE A 59 128.751 6.871 5.286 1.00 0.35 C ATOM 917 O PHE A 59 128.310 6.763 4.158 1.00 0.35 O ATOM 918 CB PHE A 59 130.600 5.401 6.117 1.00 0.34 C ATOM 919 CG PHE A 59 130.157 4.343 5.137 1.00 0.33 C ATOM 920 CD1 PHE A 59 131.017 3.929 4.114 1.00 0.35 C ATOM 921 CD2 PHE A 59 128.884 3.771 5.258 1.00 0.36 C ATOM 922 CE1 PHE A 59 130.604 2.945 3.208 1.00 0.36 C ATOM 923 CE2 PHE A 59 128.472 2.786 4.352 1.00 0.38 C ATOM 924 CZ PHE A 59 129.331 2.373 3.328 1.00 0.36 C ATOM 0 H PHE A 59 130.998 7.489 7.435 1.00 0.36 H new ATOM 0 HA PHE A 59 130.796 6.939 4.628 1.00 0.35 H new ATOM 0 HB2 PHE A 59 131.673 5.325 6.291 1.00 0.34 H new ATOM 0 HB3 PHE A 59 130.110 5.250 7.079 1.00 0.34 H new ATOM 0 HD1 PHE A 59 131.999 4.369 4.023 1.00 0.35 H new ATOM 0 HD2 PHE A 59 128.221 4.089 6.049 1.00 0.36 H new ATOM 0 HE1 PHE A 59 131.267 2.627 2.417 1.00 0.36 H new ATOM 0 HE2 PHE A 59 127.490 2.345 4.444 1.00 0.38 H new ATOM 0 HZ PHE A 59 129.013 1.613 2.630 1.00 0.36 H new ATOM 934 N ARG A 60 127.958 7.044 6.311 1.00 0.37 N ATOM 935 CA ARG A 60 126.482 7.111 6.105 1.00 0.38 C ATOM 936 C ARG A 60 126.112 8.269 5.182 1.00 0.39 C ATOM 937 O ARG A 60 125.375 8.097 4.232 1.00 0.39 O ATOM 938 CB ARG A 60 125.781 7.319 7.454 1.00 0.42 C ATOM 939 CG ARG A 60 125.856 6.040 8.287 1.00 0.43 C ATOM 940 CD ARG A 60 125.302 6.309 9.688 1.00 0.50 C ATOM 941 NE ARG A 60 123.854 6.649 9.592 1.00 1.31 N ATOM 942 CZ ARG A 60 123.103 6.608 10.657 1.00 1.55 C ATOM 943 NH1 ARG A 60 123.619 6.262 11.805 1.00 1.16 N ATOM 944 NH2 ARG A 60 121.837 6.912 10.574 1.00 2.64 N ATOM 0 H ARG A 60 128.268 7.141 7.278 1.00 0.37 H new ATOM 0 HA ARG A 60 126.162 6.174 5.650 1.00 0.38 H new ATOM 0 HB2 ARG A 60 126.250 8.142 7.993 1.00 0.42 H new ATOM 0 HB3 ARG A 60 124.739 7.597 7.292 1.00 0.42 H new ATOM 0 HG2 ARG A 60 125.286 5.246 7.805 1.00 0.43 H new ATOM 0 HG3 ARG A 60 126.888 5.696 8.353 1.00 0.43 H new ATOM 0 HD2 ARG A 60 125.440 5.432 10.320 1.00 0.50 H new ATOM 0 HD3 ARG A 60 125.849 7.128 10.156 1.00 0.50 H new ATOM 0 HE ARG A 60 123.451 6.914 8.693 1.00 1.31 H new ATOM 0 HH11 ARG A 60 124.609 6.024 11.868 1.00 1.16 H new ATOM 0 HH12 ARG A 60 123.032 6.230 12.639 1.00 1.16 H new ATOM 0 HH21 ARG A 60 121.435 7.182 9.676 1.00 2.64 H new ATOM 0 HH22 ARG A 60 121.249 6.880 11.407 1.00 2.64 H new ATOM 958 N GLU A 61 126.603 9.447 5.443 1.00 0.41 N ATOM 959 CA GLU A 61 126.254 10.595 4.567 1.00 0.44 C ATOM 960 C GLU A 61 126.841 10.363 3.174 1.00 0.42 C ATOM 961 O GLU A 61 126.225 10.673 2.175 1.00 0.42 O ATOM 962 CB GLU A 61 126.828 11.881 5.162 1.00 0.48 C ATOM 963 CG GLU A 61 126.108 12.201 6.473 1.00 1.29 C ATOM 964 CD GLU A 61 124.659 12.596 6.182 1.00 1.76 C ATOM 965 OE1 GLU A 61 124.395 13.026 5.071 1.00 2.32 O ATOM 966 OE2 GLU A 61 123.839 12.461 7.074 1.00 2.37 O ATOM 0 H GLU A 61 127.227 9.663 6.220 1.00 0.41 H new ATOM 0 HA GLU A 61 125.170 10.686 4.493 1.00 0.44 H new ATOM 0 HB2 GLU A 61 127.897 11.766 5.340 1.00 0.48 H new ATOM 0 HB3 GLU A 61 126.709 12.705 4.458 1.00 0.48 H new ATOM 0 HG2 GLU A 61 126.133 11.335 7.134 1.00 1.29 H new ATOM 0 HG3 GLU A 61 126.619 13.012 6.991 1.00 1.29 H new ATOM 973 N TRP A 62 128.024 9.826 3.093 1.00 0.40 N ATOM 974 CA TRP A 62 128.632 9.591 1.752 1.00 0.38 C ATOM 975 C TRP A 62 127.817 8.570 0.951 1.00 0.36 C ATOM 976 O TRP A 62 127.491 8.790 -0.196 1.00 0.36 O ATOM 977 CB TRP A 62 130.066 9.068 1.910 1.00 0.38 C ATOM 978 CG TRP A 62 130.587 8.656 0.566 1.00 0.36 C ATOM 979 CD1 TRP A 62 131.152 9.486 -0.338 1.00 0.38 C ATOM 980 CD2 TRP A 62 130.569 7.333 -0.048 1.00 0.34 C ATOM 981 NE1 TRP A 62 131.487 8.758 -1.467 1.00 0.37 N ATOM 982 CE2 TRP A 62 131.148 7.425 -1.337 1.00 0.35 C ATOM 983 CE3 TRP A 62 130.113 6.072 0.386 1.00 0.32 C ATOM 984 CZ2 TRP A 62 131.269 6.306 -2.165 1.00 0.34 C ATOM 985 CZ3 TRP A 62 130.236 4.948 -0.445 1.00 0.31 C ATOM 986 CH2 TRP A 62 130.813 5.064 -1.717 1.00 0.32 C ATOM 0 H TRP A 62 128.594 9.541 3.889 1.00 0.40 H new ATOM 0 HA TRP A 62 128.638 10.540 1.216 1.00 0.38 H new ATOM 0 HB2 TRP A 62 130.703 9.841 2.340 1.00 0.38 H new ATOM 0 HB3 TRP A 62 130.084 8.221 2.596 1.00 0.38 H new ATOM 0 HD1 TRP A 62 131.316 10.545 -0.202 1.00 0.38 H new ATOM 0 HE1 TRP A 62 131.930 9.157 -2.294 1.00 0.37 H new ATOM 0 HE3 TRP A 62 129.666 5.970 1.364 1.00 0.32 H new ATOM 0 HZ2 TRP A 62 131.712 6.401 -3.145 1.00 0.34 H new ATOM 0 HZ3 TRP A 62 129.883 3.987 -0.102 1.00 0.31 H new ATOM 0 HH2 TRP A 62 130.905 4.194 -2.350 1.00 0.32 H new ATOM 997 N LEU A 63 127.499 7.453 1.536 1.00 0.34 N ATOM 998 CA LEU A 63 126.726 6.426 0.787 1.00 0.32 C ATOM 999 C LEU A 63 125.318 6.943 0.493 1.00 0.33 C ATOM 1000 O LEU A 63 124.833 6.852 -0.617 1.00 0.32 O ATOM 1001 CB LEU A 63 126.661 5.138 1.619 1.00 0.31 C ATOM 1002 CG LEU A 63 125.863 4.056 0.877 1.00 0.31 C ATOM 1003 CD1 LEU A 63 126.519 3.736 -0.477 1.00 0.30 C ATOM 1004 CD2 LEU A 63 125.830 2.788 1.741 1.00 0.32 C ATOM 0 H LEU A 63 127.739 7.206 2.496 1.00 0.34 H new ATOM 0 HA LEU A 63 127.220 6.215 -0.162 1.00 0.32 H new ATOM 0 HB2 LEU A 63 127.670 4.779 1.822 1.00 0.31 H new ATOM 0 HB3 LEU A 63 126.196 5.344 2.583 1.00 0.31 H new ATOM 0 HG LEU A 63 124.851 4.417 0.695 1.00 0.31 H new ATOM 0 HD11 LEU A 63 125.940 2.967 -0.989 1.00 0.30 H new ATOM 0 HD12 LEU A 63 126.547 4.637 -1.090 1.00 0.30 H new ATOM 0 HD13 LEU A 63 127.535 3.376 -0.313 1.00 0.30 H new ATOM 0 HD21 LEU A 63 125.266 2.011 1.225 1.00 0.32 H new ATOM 0 HD22 LEU A 63 126.848 2.441 1.917 1.00 0.32 H new ATOM 0 HD23 LEU A 63 125.352 3.010 2.695 1.00 0.32 H new ATOM 1016 N LYS A 64 124.662 7.490 1.475 1.00 0.35 N ATOM 1017 CA LYS A 64 123.288 8.020 1.246 1.00 0.37 C ATOM 1018 C LYS A 64 123.342 9.194 0.267 1.00 0.39 C ATOM 1019 O LYS A 64 122.545 9.297 -0.645 1.00 0.39 O ATOM 1020 CB LYS A 64 122.685 8.479 2.575 1.00 0.41 C ATOM 1021 CG LYS A 64 121.237 8.916 2.350 1.00 0.43 C ATOM 1022 CD LYS A 64 120.621 9.339 3.684 1.00 0.68 C ATOM 1023 CE LYS A 64 119.170 9.779 3.470 1.00 1.25 C ATOM 1024 NZ LYS A 64 118.487 8.827 2.548 1.00 2.11 N ATOM 0 H LYS A 64 125.016 7.594 2.426 1.00 0.35 H new ATOM 0 HA LYS A 64 122.665 7.232 0.823 1.00 0.37 H new ATOM 0 HB2 LYS A 64 122.723 7.669 3.304 1.00 0.41 H new ATOM 0 HB3 LYS A 64 123.266 9.305 2.985 1.00 0.41 H new ATOM 0 HG2 LYS A 64 121.201 9.744 1.642 1.00 0.43 H new ATOM 0 HG3 LYS A 64 120.662 8.099 1.914 1.00 0.43 H new ATOM 0 HD2 LYS A 64 120.659 8.510 4.391 1.00 0.68 H new ATOM 0 HD3 LYS A 64 121.198 10.155 4.119 1.00 0.68 H new ATOM 0 HE2 LYS A 64 118.646 9.814 4.425 1.00 1.25 H new ATOM 0 HE3 LYS A 64 119.143 10.786 3.054 1.00 1.25 H new ATOM 0 HZ1 LYS A 64 117.457 8.911 2.663 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 118.745 9.050 1.565 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 118.782 7.855 2.772 1.00 2.11 H new ATOM 1038 N ASP A 65 124.281 10.079 0.456 1.00 0.41 N ATOM 1039 CA ASP A 65 124.404 11.255 -0.451 1.00 0.45 C ATOM 1040 C ASP A 65 124.878 10.794 -1.830 1.00 0.43 C ATOM 1041 O ASP A 65 124.569 11.398 -2.838 1.00 0.46 O ATOM 1042 CB ASP A 65 125.412 12.250 0.133 1.00 0.49 C ATOM 1043 CG ASP A 65 125.410 13.536 -0.698 1.00 1.17 C ATOM 1044 OD1 ASP A 65 125.312 13.436 -1.909 1.00 1.90 O ATOM 1045 OD2 ASP A 65 125.509 14.598 -0.108 1.00 1.42 O ATOM 0 H ASP A 65 124.973 10.038 1.204 1.00 0.41 H new ATOM 0 HA ASP A 65 123.432 11.739 -0.548 1.00 0.45 H new ATOM 0 HB2 ASP A 65 125.157 12.475 1.169 1.00 0.49 H new ATOM 0 HB3 ASP A 65 126.410 11.811 0.138 1.00 0.49 H new ATOM 1050 N THR A 66 125.654 9.745 -1.880 1.00 0.40 N ATOM 1051 CA THR A 66 126.182 9.269 -3.191 1.00 0.39 C ATOM 1052 C THR A 66 125.128 8.464 -3.957 1.00 0.39 C ATOM 1053 O THR A 66 125.110 8.502 -5.172 1.00 0.41 O ATOM 1054 CB THR A 66 127.421 8.399 -2.957 1.00 0.38 C ATOM 1055 OG1 THR A 66 128.422 9.170 -2.307 1.00 0.37 O ATOM 1056 CG2 THR A 66 127.962 7.900 -4.299 1.00 0.39 C ATOM 0 H THR A 66 125.945 9.197 -1.070 1.00 0.40 H new ATOM 0 HA THR A 66 126.445 10.141 -3.790 1.00 0.39 H new ATOM 0 HB THR A 66 127.150 7.546 -2.335 1.00 0.38 H new ATOM 0 HG1 THR A 66 128.254 9.176 -1.341 1.00 0.37 H new ATOM 0 HG21 THR A 66 128.843 7.282 -4.129 1.00 0.39 H new ATOM 0 HG22 THR A 66 127.197 7.310 -4.803 1.00 0.39 H new ATOM 0 HG23 THR A 66 128.232 8.753 -4.922 1.00 0.39 H new ATOM 1064 N CYS A 67 124.279 7.702 -3.297 1.00 0.37 N ATOM 1065 CA CYS A 67 123.275 6.870 -4.045 1.00 0.38 C ATOM 1066 C CYS A 67 121.855 7.050 -3.497 1.00 0.37 C ATOM 1067 O CYS A 67 120.889 6.916 -4.221 1.00 0.40 O ATOM 1068 CB CYS A 67 123.666 5.397 -3.917 1.00 0.37 C ATOM 1069 SG CYS A 67 123.693 4.931 -2.169 1.00 0.36 S ATOM 0 H CYS A 67 124.238 7.621 -2.281 1.00 0.37 H new ATOM 0 HA CYS A 67 123.278 7.194 -5.086 1.00 0.38 H new ATOM 0 HB2 CYS A 67 122.956 4.773 -4.460 1.00 0.37 H new ATOM 0 HB3 CYS A 67 124.646 5.229 -4.364 1.00 0.37 H new ATOM 0 HG CYS A 67 124.322 5.841 -1.487 1.00 0.36 H new ATOM 1075 N GLY A 68 121.717 7.338 -2.226 1.00 0.36 N ATOM 1076 CA GLY A 68 120.353 7.512 -1.627 1.00 0.36 C ATOM 1077 C GLY A 68 120.015 6.289 -0.766 1.00 0.34 C ATOM 1078 O GLY A 68 118.878 6.080 -0.393 1.00 0.34 O ATOM 0 H GLY A 68 122.492 7.461 -1.574 1.00 0.36 H new ATOM 0 HA2 GLY A 68 120.323 8.417 -1.020 1.00 0.36 H new ATOM 0 HA3 GLY A 68 119.610 7.632 -2.416 1.00 0.36 H new ATOM 1082 N ALA A 69 120.989 5.479 -0.445 1.00 0.33 N ATOM 1083 CA ALA A 69 120.711 4.276 0.395 1.00 0.32 C ATOM 1084 C ALA A 69 119.949 4.702 1.652 1.00 0.31 C ATOM 1085 O ALA A 69 120.030 5.835 2.082 1.00 0.32 O ATOM 1086 CB ALA A 69 122.030 3.615 0.795 1.00 0.32 C ATOM 0 H ALA A 69 121.962 5.597 -0.727 1.00 0.33 H new ATOM 0 HA ALA A 69 120.110 3.566 -0.173 1.00 0.32 H new ATOM 0 HB1 ALA A 69 121.826 2.737 1.408 1.00 0.32 H new ATOM 0 HB2 ALA A 69 122.572 3.314 -0.101 1.00 0.32 H new ATOM 0 HB3 ALA A 69 122.634 4.322 1.364 1.00 0.32 H new ATOM 1092 N ASN A 70 119.193 3.810 2.241 1.00 0.30 N ATOM 1093 CA ASN A 70 118.414 4.177 3.461 1.00 0.30 C ATOM 1094 C ASN A 70 119.252 3.932 4.719 1.00 0.30 C ATOM 1095 O ASN A 70 120.316 3.348 4.672 1.00 0.29 O ATOM 1096 CB ASN A 70 117.146 3.322 3.525 1.00 0.30 C ATOM 1097 CG ASN A 70 116.335 3.702 4.764 1.00 1.06 C ATOM 1098 OD1 ASN A 70 115.942 4.840 4.922 1.00 1.90 O ATOM 1099 ND2 ASN A 70 116.068 2.789 5.658 1.00 1.77 N ATOM 0 H ASN A 70 119.082 2.845 1.930 1.00 0.30 H new ATOM 0 HA ASN A 70 118.151 5.233 3.410 1.00 0.30 H new ATOM 0 HB2 ASN A 70 116.548 3.472 2.626 1.00 0.30 H new ATOM 0 HB3 ASN A 70 117.409 2.265 3.560 1.00 0.30 H new ATOM 0 HD21 ASN A 70 115.529 3.031 6.489 1.00 1.77 H new ATOM 0 HD22 ASN A 70 116.398 1.833 5.525 1.00 1.77 H new ATOM 1106 N ALA A 71 118.776 4.397 5.842 1.00 0.32 N ATOM 1107 CA ALA A 71 119.525 4.226 7.119 1.00 0.34 C ATOM 1108 C ALA A 71 119.706 2.744 7.455 1.00 0.32 C ATOM 1109 O ALA A 71 120.697 2.356 8.030 1.00 0.32 O ATOM 1110 CB ALA A 71 118.758 4.904 8.253 1.00 0.39 C ATOM 0 H ALA A 71 117.890 4.894 5.930 1.00 0.32 H new ATOM 0 HA ALA A 71 120.509 4.681 7.003 1.00 0.34 H new ATOM 0 HB1 ALA A 71 119.305 4.780 9.188 1.00 0.39 H new ATOM 0 HB2 ALA A 71 118.650 5.966 8.035 1.00 0.39 H new ATOM 0 HB3 ALA A 71 117.771 4.450 8.347 1.00 0.39 H new ATOM 1116 N LYS A 72 118.766 1.908 7.114 1.00 0.30 N ATOM 1117 CA LYS A 72 118.920 0.459 7.446 1.00 0.29 C ATOM 1118 C LYS A 72 120.023 -0.152 6.582 1.00 0.27 C ATOM 1119 O LYS A 72 120.806 -0.973 7.026 1.00 0.27 O ATOM 1120 CB LYS A 72 117.603 -0.276 7.190 1.00 0.29 C ATOM 1121 CG LYS A 72 117.712 -1.712 7.707 1.00 1.18 C ATOM 1122 CD LYS A 72 116.395 -2.449 7.452 1.00 1.29 C ATOM 1123 CE LYS A 72 116.500 -3.884 7.975 1.00 2.11 C ATOM 1124 NZ LYS A 72 117.549 -4.619 7.212 1.00 2.58 N ATOM 0 H LYS A 72 117.906 2.158 6.625 1.00 0.30 H new ATOM 0 HA LYS A 72 119.187 0.361 8.498 1.00 0.29 H new ATOM 0 HB2 LYS A 72 116.783 0.240 7.689 1.00 0.29 H new ATOM 0 HB3 LYS A 72 117.377 -0.278 6.124 1.00 0.29 H new ATOM 0 HG2 LYS A 72 118.532 -2.228 7.208 1.00 1.18 H new ATOM 0 HG3 LYS A 72 117.939 -1.710 8.773 1.00 1.18 H new ATOM 0 HD2 LYS A 72 115.574 -1.930 7.947 1.00 1.29 H new ATOM 0 HD3 LYS A 72 116.171 -2.455 6.385 1.00 1.29 H new ATOM 0 HE2 LYS A 72 116.746 -3.878 9.037 1.00 2.11 H new ATOM 0 HE3 LYS A 72 115.540 -4.390 7.873 1.00 2.11 H new ATOM 0 HZ1 LYS A 72 117.607 -5.598 7.557 1.00 2.58 H new ATOM 0 HZ2 LYS A 72 117.305 -4.622 6.201 1.00 2.58 H new ATOM 0 HZ3 LYS A 72 118.468 -4.150 7.345 1.00 2.58 H new ATOM 1138 N GLN A 73 120.070 0.231 5.338 1.00 0.26 N ATOM 1139 CA GLN A 73 121.089 -0.329 4.416 1.00 0.25 C ATOM 1140 C GLN A 73 122.493 0.078 4.857 1.00 0.25 C ATOM 1141 O GLN A 73 123.452 -0.633 4.627 1.00 0.25 O ATOM 1142 CB GLN A 73 120.827 0.193 3.001 1.00 0.26 C ATOM 1143 CG GLN A 73 119.444 -0.268 2.529 1.00 0.29 C ATOM 1144 CD GLN A 73 119.417 -1.795 2.414 1.00 1.24 C ATOM 1145 OE1 GLN A 73 118.537 -2.440 2.948 1.00 2.12 O ATOM 1146 NE2 GLN A 73 120.350 -2.402 1.736 1.00 1.88 N ATOM 0 H GLN A 73 119.439 0.914 4.919 1.00 0.26 H new ATOM 0 HA GLN A 73 121.021 -1.417 4.432 1.00 0.25 H new ATOM 0 HB2 GLN A 73 120.882 1.282 2.988 1.00 0.26 H new ATOM 0 HB3 GLN A 73 121.595 -0.173 2.320 1.00 0.26 H new ATOM 0 HG2 GLN A 73 118.680 0.066 3.231 1.00 0.29 H new ATOM 0 HG3 GLN A 73 119.210 0.183 1.564 1.00 0.29 H new ATOM 0 HE21 GLN A 73 121.089 -1.860 1.288 1.00 1.88 H new ATOM 0 HE22 GLN A 73 120.341 -3.419 1.654 1.00 1.88 H new ATOM 1155 N SER A 74 122.635 1.219 5.477 1.00 0.26 N ATOM 1156 CA SER A 74 123.987 1.656 5.910 1.00 0.27 C ATOM 1157 C SER A 74 124.505 0.764 7.044 1.00 0.26 C ATOM 1158 O SER A 74 125.667 0.411 7.071 1.00 0.26 O ATOM 1159 CB SER A 74 123.930 3.102 6.386 1.00 0.30 C ATOM 1160 OG SER A 74 123.356 3.151 7.686 1.00 1.36 O ATOM 0 H SER A 74 121.875 1.862 5.700 1.00 0.26 H new ATOM 0 HA SER A 74 124.667 1.574 5.062 1.00 0.27 H new ATOM 0 HB2 SER A 74 124.932 3.530 6.403 1.00 0.30 H new ATOM 0 HB3 SER A 74 123.339 3.701 5.693 1.00 0.30 H new ATOM 0 HG SER A 74 122.426 2.845 7.645 1.00 1.36 H new ATOM 1166 N ARG A 75 123.667 0.373 7.976 1.00 0.27 N ATOM 1167 CA ARG A 75 124.160 -0.513 9.070 1.00 0.28 C ATOM 1168 C ARG A 75 124.693 -1.805 8.463 1.00 0.26 C ATOM 1169 O ARG A 75 125.667 -2.356 8.937 1.00 0.27 O ATOM 1170 CB ARG A 75 123.035 -0.822 10.074 1.00 0.30 C ATOM 1171 CG ARG A 75 122.921 0.301 11.115 1.00 0.33 C ATOM 1172 CD ARG A 75 122.853 1.663 10.428 1.00 0.61 C ATOM 1173 NE ARG A 75 122.361 2.696 11.402 1.00 1.34 N ATOM 1174 CZ ARG A 75 121.188 2.601 11.970 1.00 1.81 C ATOM 1175 NH1 ARG A 75 120.328 1.703 11.568 1.00 1.88 N ATOM 1176 NH2 ARG A 75 120.854 3.440 12.913 1.00 2.80 N ATOM 0 H ARG A 75 122.680 0.626 8.024 1.00 0.27 H new ATOM 0 HA ARG A 75 124.959 -0.003 9.608 1.00 0.28 H new ATOM 0 HB2 ARG A 75 122.088 -0.934 9.546 1.00 0.30 H new ATOM 0 HB3 ARG A 75 123.235 -1.770 10.573 1.00 0.30 H new ATOM 0 HG2 ARG A 75 122.030 0.150 11.725 1.00 0.33 H new ATOM 0 HG3 ARG A 75 123.778 0.269 11.788 1.00 0.33 H new ATOM 0 HD2 ARG A 75 123.838 1.942 10.053 1.00 0.61 H new ATOM 0 HD3 ARG A 75 122.187 1.614 9.567 1.00 0.61 H new ATOM 0 HE ARG A 75 122.958 3.492 11.626 1.00 1.34 H new ATOM 0 HH11 ARG A 75 120.570 1.070 10.806 1.00 1.88 H new ATOM 0 HH12 ARG A 75 119.414 1.635 12.016 1.00 1.88 H new ATOM 0 HH21 ARG A 75 121.508 4.167 13.204 1.00 2.80 H new ATOM 0 HH22 ARG A 75 119.939 3.369 13.358 1.00 2.80 H new ATOM 1190 N ASP A 76 124.068 -2.324 7.440 1.00 0.25 N ATOM 1191 CA ASP A 76 124.552 -3.600 6.851 1.00 0.24 C ATOM 1192 C ASP A 76 125.889 -3.386 6.140 1.00 0.23 C ATOM 1193 O ASP A 76 126.783 -4.201 6.242 1.00 0.23 O ATOM 1194 CB ASP A 76 123.521 -4.112 5.844 1.00 0.24 C ATOM 1195 CG ASP A 76 122.272 -4.584 6.590 1.00 0.25 C ATOM 1196 OD1 ASP A 76 122.377 -4.843 7.778 1.00 0.40 O ATOM 1197 OD2 ASP A 76 121.230 -4.679 5.961 1.00 0.39 O ATOM 0 H ASP A 76 123.247 -1.919 6.990 1.00 0.25 H new ATOM 0 HA ASP A 76 124.690 -4.329 7.650 1.00 0.24 H new ATOM 0 HB2 ASP A 76 123.260 -3.322 5.140 1.00 0.24 H new ATOM 0 HB3 ASP A 76 123.941 -4.932 5.261 1.00 0.24 H new ATOM 1202 N CYS A 77 126.056 -2.294 5.443 1.00 0.22 N ATOM 1203 CA CYS A 77 127.359 -2.052 4.766 1.00 0.22 C ATOM 1204 C CYS A 77 128.432 -1.761 5.814 1.00 0.22 C ATOM 1205 O CYS A 77 129.557 -2.202 5.701 1.00 0.21 O ATOM 1206 CB CYS A 77 127.229 -0.860 3.815 1.00 0.23 C ATOM 1207 SG CYS A 77 126.200 -1.325 2.400 1.00 0.24 S ATOM 0 H CYS A 77 125.353 -1.566 5.315 1.00 0.22 H new ATOM 0 HA CYS A 77 127.642 -2.937 4.196 1.00 0.22 H new ATOM 0 HB2 CYS A 77 126.786 -0.012 4.337 1.00 0.23 H new ATOM 0 HB3 CYS A 77 128.215 -0.545 3.473 1.00 0.23 H new ATOM 0 HG CYS A 77 125.996 -2.609 2.415 1.00 0.24 H new ATOM 1213 N PHE A 78 128.102 -1.008 6.830 1.00 0.23 N ATOM 1214 CA PHE A 78 129.121 -0.685 7.866 1.00 0.25 C ATOM 1215 C PHE A 78 129.627 -1.973 8.513 1.00 0.24 C ATOM 1216 O PHE A 78 130.798 -2.292 8.458 1.00 0.23 O ATOM 1217 CB PHE A 78 128.478 0.202 8.933 1.00 0.29 C ATOM 1218 CG PHE A 78 129.480 0.504 10.020 1.00 0.32 C ATOM 1219 CD1 PHE A 78 130.305 1.632 9.923 1.00 0.36 C ATOM 1220 CD2 PHE A 78 129.581 -0.343 11.129 1.00 0.38 C ATOM 1221 CE1 PHE A 78 131.230 1.910 10.935 1.00 0.41 C ATOM 1222 CE2 PHE A 78 130.506 -0.064 12.141 1.00 0.43 C ATOM 1223 CZ PHE A 78 131.332 1.062 12.045 1.00 0.43 C ATOM 0 H PHE A 78 127.177 -0.606 6.985 1.00 0.23 H new ATOM 0 HA PHE A 78 129.960 -0.164 7.405 1.00 0.25 H new ATOM 0 HB2 PHE A 78 128.125 1.130 8.483 1.00 0.29 H new ATOM 0 HB3 PHE A 78 127.607 -0.297 9.357 1.00 0.29 H new ATOM 0 HD1 PHE A 78 130.227 2.287 9.068 1.00 0.36 H new ATOM 0 HD2 PHE A 78 128.945 -1.212 11.204 1.00 0.38 H new ATOM 0 HE1 PHE A 78 131.866 2.780 10.860 1.00 0.41 H new ATOM 0 HE2 PHE A 78 130.583 -0.718 12.997 1.00 0.43 H new ATOM 0 HZ PHE A 78 132.047 1.277 12.826 1.00 0.43 H new ATOM 1233 N GLY A 79 128.750 -2.712 9.136 1.00 0.25 N ATOM 1234 CA GLY A 79 129.166 -3.977 9.801 1.00 0.26 C ATOM 1235 C GLY A 79 129.736 -4.953 8.770 1.00 0.24 C ATOM 1236 O GLY A 79 130.633 -5.717 9.053 1.00 0.24 O ATOM 0 H GLY A 79 127.757 -2.491 9.213 1.00 0.25 H new ATOM 0 HA2 GLY A 79 129.914 -3.766 10.565 1.00 0.26 H new ATOM 0 HA3 GLY A 79 128.312 -4.428 10.307 1.00 0.26 H new ATOM 1240 N CYS A 80 129.232 -4.929 7.572 1.00 0.22 N ATOM 1241 CA CYS A 80 129.764 -5.858 6.538 1.00 0.22 C ATOM 1242 C CYS A 80 131.170 -5.421 6.123 1.00 0.22 C ATOM 1243 O CYS A 80 132.081 -6.221 6.063 1.00 0.23 O ATOM 1244 CB CYS A 80 128.842 -5.854 5.320 1.00 0.22 C ATOM 1245 SG CYS A 80 129.511 -6.963 4.054 1.00 0.25 S ATOM 0 H CYS A 80 128.480 -4.312 7.263 1.00 0.22 H new ATOM 0 HA CYS A 80 129.810 -6.866 6.951 1.00 0.22 H new ATOM 0 HB2 CYS A 80 127.841 -6.175 5.607 1.00 0.22 H new ATOM 0 HB3 CYS A 80 128.751 -4.843 4.922 1.00 0.22 H new ATOM 0 HG CYS A 80 129.356 -6.426 2.880 1.00 0.25 H new ATOM 1251 N LEU A 81 131.366 -4.157 5.857 1.00 0.21 N ATOM 1252 CA LEU A 81 132.734 -3.702 5.474 1.00 0.21 C ATOM 1253 C LEU A 81 133.639 -3.738 6.712 1.00 0.22 C ATOM 1254 O LEU A 81 134.788 -4.126 6.642 1.00 0.22 O ATOM 1255 CB LEU A 81 132.664 -2.265 4.942 1.00 0.22 C ATOM 1256 CG LEU A 81 131.747 -2.195 3.706 1.00 0.24 C ATOM 1257 CD1 LEU A 81 131.290 -0.750 3.492 1.00 0.30 C ATOM 1258 CD2 LEU A 81 132.506 -2.655 2.456 1.00 0.28 C ATOM 0 H LEU A 81 130.651 -3.430 5.887 1.00 0.21 H new ATOM 0 HA LEU A 81 133.136 -4.358 4.701 1.00 0.21 H new ATOM 0 HB2 LEU A 81 132.288 -1.600 5.720 1.00 0.22 H new ATOM 0 HB3 LEU A 81 133.664 -1.918 4.681 1.00 0.22 H new ATOM 0 HG LEU A 81 130.888 -2.845 3.872 1.00 0.24 H new ATOM 0 HD11 LEU A 81 130.641 -0.699 2.618 1.00 0.30 H new ATOM 0 HD12 LEU A 81 130.743 -0.408 4.370 1.00 0.30 H new ATOM 0 HD13 LEU A 81 132.160 -0.113 3.335 1.00 0.30 H new ATOM 0 HD21 LEU A 81 131.847 -2.601 1.590 1.00 0.28 H new ATOM 0 HD22 LEU A 81 133.369 -2.009 2.296 1.00 0.28 H new ATOM 0 HD23 LEU A 81 132.842 -3.683 2.592 1.00 0.28 H new ATOM 1270 N ARG A 82 133.132 -3.324 7.847 1.00 0.22 N ATOM 1271 CA ARG A 82 133.971 -3.321 9.083 1.00 0.24 C ATOM 1272 C ARG A 82 134.391 -4.748 9.438 1.00 0.25 C ATOM 1273 O ARG A 82 135.509 -4.994 9.844 1.00 0.26 O ATOM 1274 CB ARG A 82 133.175 -2.726 10.249 1.00 0.28 C ATOM 1275 CG ARG A 82 134.059 -2.669 11.502 1.00 0.33 C ATOM 1276 CD ARG A 82 133.268 -2.077 12.668 1.00 0.84 C ATOM 1277 NE ARG A 82 134.165 -1.927 13.848 1.00 1.41 N ATOM 1278 CZ ARG A 82 133.806 -1.173 14.849 1.00 1.95 C ATOM 1279 NH1 ARG A 82 132.655 -0.559 14.823 1.00 2.25 N ATOM 1280 NH2 ARG A 82 134.598 -1.033 15.877 1.00 2.73 N ATOM 0 H ARG A 82 132.176 -2.989 7.970 1.00 0.22 H new ATOM 0 HA ARG A 82 134.860 -2.718 8.900 1.00 0.24 H new ATOM 0 HB2 ARG A 82 132.827 -1.726 9.992 1.00 0.28 H new ATOM 0 HB3 ARG A 82 132.290 -3.331 10.444 1.00 0.28 H new ATOM 0 HG2 ARG A 82 134.408 -3.670 11.758 1.00 0.33 H new ATOM 0 HG3 ARG A 82 134.944 -2.063 11.306 1.00 0.33 H new ATOM 0 HD2 ARG A 82 132.854 -1.109 12.387 1.00 0.84 H new ATOM 0 HD3 ARG A 82 132.426 -2.724 12.917 1.00 0.84 H new ATOM 0 HE ARG A 82 135.061 -2.415 13.873 1.00 1.41 H new ATOM 0 HH11 ARG A 82 132.036 -0.669 14.020 1.00 2.25 H new ATOM 0 HH12 ARG A 82 132.374 0.031 15.606 1.00 2.25 H new ATOM 0 HH21 ARG A 82 135.498 -1.513 15.897 1.00 2.73 H new ATOM 0 HH22 ARG A 82 134.317 -0.443 16.660 1.00 2.73 H new ATOM 1294 N GLU A 83 133.502 -5.688 9.296 1.00 0.25 N ATOM 1295 CA GLU A 83 133.845 -7.097 9.635 1.00 0.28 C ATOM 1296 C GLU A 83 134.832 -7.665 8.619 1.00 0.27 C ATOM 1297 O GLU A 83 135.749 -8.376 8.980 1.00 0.29 O ATOM 1298 CB GLU A 83 132.575 -7.950 9.670 1.00 0.30 C ATOM 1299 CG GLU A 83 131.797 -7.652 10.957 1.00 0.33 C ATOM 1300 CD GLU A 83 130.531 -8.503 10.991 1.00 1.19 C ATOM 1301 OE1 GLU A 83 130.228 -9.111 9.980 1.00 1.91 O ATOM 1302 OE2 GLU A 83 129.885 -8.531 12.025 1.00 1.56 O ATOM 0 H GLU A 83 132.550 -5.542 8.959 1.00 0.25 H new ATOM 0 HA GLU A 83 134.313 -7.116 10.619 1.00 0.28 H new ATOM 0 HB2 GLU A 83 131.955 -7.735 8.799 1.00 0.30 H new ATOM 0 HB3 GLU A 83 132.833 -9.008 9.625 1.00 0.30 H new ATOM 0 HG2 GLU A 83 132.417 -7.867 11.828 1.00 0.33 H new ATOM 0 HG3 GLU A 83 131.539 -6.594 11.003 1.00 0.33 H new ATOM 1309 N TRP A 84 134.695 -7.347 7.359 1.00 0.25 N ATOM 1310 CA TRP A 84 135.670 -7.863 6.366 1.00 0.25 C ATOM 1311 C TRP A 84 137.051 -7.327 6.735 1.00 0.27 C ATOM 1312 O TRP A 84 138.026 -8.048 6.773 1.00 0.28 O ATOM 1313 CB TRP A 84 135.295 -7.377 4.967 1.00 0.25 C ATOM 1314 CG TRP A 84 136.251 -7.956 3.972 1.00 0.27 C ATOM 1315 CD1 TRP A 84 136.068 -9.123 3.313 1.00 0.30 C ATOM 1316 CD2 TRP A 84 137.533 -7.430 3.522 1.00 0.30 C ATOM 1317 NE1 TRP A 84 137.150 -9.344 2.484 1.00 0.33 N ATOM 1318 CE2 TRP A 84 138.082 -8.330 2.576 1.00 0.32 C ATOM 1319 CE3 TRP A 84 138.266 -6.271 3.836 1.00 0.31 C ATOM 1320 CZ2 TRP A 84 139.314 -8.087 1.965 1.00 0.36 C ATOM 1321 CZ3 TRP A 84 139.507 -6.025 3.224 1.00 0.35 C ATOM 1322 CH2 TRP A 84 140.029 -6.932 2.291 1.00 0.37 C ATOM 0 H TRP A 84 133.954 -6.756 6.980 1.00 0.25 H new ATOM 0 HA TRP A 84 135.668 -8.953 6.371 1.00 0.25 H new ATOM 0 HB2 TRP A 84 134.275 -7.677 4.726 1.00 0.25 H new ATOM 0 HB3 TRP A 84 135.325 -6.288 4.927 1.00 0.25 H new ATOM 0 HD1 TRP A 84 135.214 -9.776 3.418 1.00 0.30 H new ATOM 0 HE1 TRP A 84 137.249 -10.158 1.877 1.00 0.33 H new ATOM 0 HE3 TRP A 84 137.872 -5.565 4.552 1.00 0.31 H new ATOM 0 HZ2 TRP A 84 139.711 -8.787 1.245 1.00 0.36 H new ATOM 0 HZ3 TRP A 84 140.062 -5.133 3.474 1.00 0.35 H new ATOM 0 HH2 TRP A 84 140.984 -6.738 1.825 1.00 0.37 H new ATOM 1333 N CYS A 85 137.136 -6.053 6.994 1.00 0.27 N ATOM 1334 CA CYS A 85 138.448 -5.451 7.343 1.00 0.30 C ATOM 1335 C CYS A 85 139.005 -6.115 8.602 1.00 0.33 C ATOM 1336 O CYS A 85 140.183 -6.384 8.705 1.00 0.36 O ATOM 1337 CB CYS A 85 138.259 -3.953 7.595 1.00 0.33 C ATOM 1338 SG CYS A 85 138.041 -3.096 6.014 1.00 0.33 S ATOM 0 H CYS A 85 136.350 -5.402 6.979 1.00 0.27 H new ATOM 0 HA CYS A 85 139.148 -5.602 6.522 1.00 0.30 H new ATOM 0 HB2 CYS A 85 137.391 -3.788 8.233 1.00 0.33 H new ATOM 0 HB3 CYS A 85 139.124 -3.550 8.123 1.00 0.33 H new ATOM 0 HG CYS A 85 136.827 -3.277 5.586 1.00 0.33 H new ATOM 1344 N ASP A 86 138.168 -6.387 9.559 1.00 0.34 N ATOM 1345 CA ASP A 86 138.655 -7.036 10.804 1.00 0.39 C ATOM 1346 C ASP A 86 139.293 -8.382 10.458 1.00 0.41 C ATOM 1347 O ASP A 86 140.187 -8.852 11.136 1.00 0.43 O ATOM 1348 CB ASP A 86 137.481 -7.255 11.762 1.00 0.41 C ATOM 1349 CG ASP A 86 137.005 -5.904 12.300 1.00 0.42 C ATOM 1350 OD1 ASP A 86 137.774 -4.961 12.238 1.00 0.55 O ATOM 1351 OD2 ASP A 86 135.879 -5.838 12.767 1.00 0.51 O ATOM 0 H ASP A 86 137.168 -6.188 9.534 1.00 0.34 H new ATOM 0 HA ASP A 86 139.395 -6.395 11.283 1.00 0.39 H new ATOM 0 HB2 ASP A 86 136.665 -7.761 11.245 1.00 0.41 H new ATOM 0 HB3 ASP A 86 137.785 -7.900 12.586 1.00 0.41 H new ATOM 1356 N ALA A 87 138.829 -9.015 9.412 1.00 0.41 N ATOM 1357 CA ALA A 87 139.395 -10.343 9.021 1.00 0.43 C ATOM 1358 C ALA A 87 140.496 -10.174 7.966 1.00 0.43 C ATOM 1359 O ALA A 87 141.432 -10.947 7.917 1.00 0.48 O ATOM 1360 CB ALA A 87 138.277 -11.214 8.446 1.00 0.41 C ATOM 0 H ALA A 87 138.081 -8.670 8.810 1.00 0.41 H new ATOM 0 HA ALA A 87 139.826 -10.815 9.904 1.00 0.43 H new ATOM 0 HB1 ALA A 87 138.683 -12.184 8.159 1.00 0.41 H new ATOM 0 HB2 ALA A 87 137.501 -11.354 9.199 1.00 0.41 H new ATOM 0 HB3 ALA A 87 137.849 -10.726 7.570 1.00 0.41 H new ATOM 1366 N PHE A 88 140.370 -9.199 7.094 1.00 0.40 N ATOM 1367 CA PHE A 88 141.388 -9.013 6.002 1.00 0.44 C ATOM 1368 C PHE A 88 142.264 -7.770 6.222 1.00 0.54 C ATOM 1369 O PHE A 88 143.199 -7.545 5.479 1.00 1.24 O ATOM 1370 CB PHE A 88 140.661 -8.857 4.662 1.00 0.41 C ATOM 1371 CG PHE A 88 140.040 -10.172 4.250 1.00 0.39 C ATOM 1372 CD1 PHE A 88 138.732 -10.490 4.643 1.00 0.35 C ATOM 1373 CD2 PHE A 88 140.771 -11.071 3.464 1.00 0.44 C ATOM 1374 CE1 PHE A 88 138.159 -11.704 4.248 1.00 0.40 C ATOM 1375 CE2 PHE A 88 140.197 -12.287 3.071 1.00 0.47 C ATOM 1376 CZ PHE A 88 138.891 -12.601 3.462 1.00 0.45 C ATOM 0 H PHE A 88 139.606 -8.523 7.090 1.00 0.40 H new ATOM 0 HA PHE A 88 142.035 -9.890 6.008 1.00 0.44 H new ATOM 0 HB2 PHE A 88 139.889 -8.092 4.745 1.00 0.41 H new ATOM 0 HB3 PHE A 88 141.361 -8.521 3.897 1.00 0.41 H new ATOM 0 HD1 PHE A 88 138.167 -9.798 5.250 1.00 0.35 H new ATOM 0 HD2 PHE A 88 141.778 -10.827 3.160 1.00 0.44 H new ATOM 0 HE1 PHE A 88 137.151 -11.949 4.550 1.00 0.40 H new ATOM 0 HE2 PHE A 88 140.762 -12.981 2.467 1.00 0.47 H new ATOM 0 HZ PHE A 88 138.447 -13.537 3.157 1.00 0.45 H new ATOM 1386 N LEU A 89 141.992 -6.955 7.215 1.00 0.39 N ATOM 1387 CA LEU A 89 142.841 -5.734 7.436 1.00 0.36 C ATOM 1388 C LEU A 89 143.867 -6.017 8.536 1.00 0.87 C ATOM 1389 O LEU A 89 143.459 -6.436 9.606 1.00 1.43 O ATOM 1390 CB LEU A 89 141.945 -4.556 7.850 1.00 0.74 C ATOM 1391 CG LEU A 89 142.659 -3.215 7.587 1.00 0.47 C ATOM 1392 CD1 LEU A 89 142.555 -2.822 6.101 1.00 1.00 C ATOM 1393 CD2 LEU A 89 142.012 -2.119 8.442 1.00 1.28 C ATOM 1394 OXT LEU A 89 145.043 -5.807 8.289 1.00 1.66 O ATOM 0 H LEU A 89 141.227 -7.079 7.878 1.00 0.39 H new ATOM 0 HA LEU A 89 143.364 -5.481 6.514 1.00 0.36 H new ATOM 0 HB2 LEU A 89 141.008 -4.591 7.294 1.00 0.74 H new ATOM 0 HB3 LEU A 89 141.691 -4.638 8.907 1.00 0.74 H new ATOM 0 HG LEU A 89 143.711 -3.326 7.848 1.00 0.47 H new ATOM 0 HD11 LEU A 89 143.066 -1.873 5.939 1.00 1.00 H new ATOM 0 HD12 LEU A 89 143.020 -3.594 5.487 1.00 1.00 H new ATOM 0 HD13 LEU A 89 141.506 -2.721 5.824 1.00 1.00 H new ATOM 0 HD21 LEU A 89 142.515 -1.170 8.258 1.00 1.28 H new ATOM 0 HD22 LEU A 89 140.958 -2.028 8.180 1.00 1.28 H new ATOM 0 HD23 LEU A 89 142.103 -2.379 9.497 1.00 1.28 H new TER 1406 LEU A 89 ATOM 1407 N MET B 1 163.424 0.870 -6.615 1.00 3.74 N ATOM 1408 CA MET B 1 162.799 -0.482 -6.584 1.00 3.26 C ATOM 1409 C MET B 1 163.379 -1.290 -5.422 1.00 2.28 C ATOM 1410 O MET B 1 162.960 -2.398 -5.157 1.00 2.68 O ATOM 1411 CB MET B 1 163.086 -1.211 -7.898 1.00 3.75 C ATOM 1412 CG MET B 1 162.300 -0.552 -9.032 1.00 4.33 C ATOM 1413 SD MET B 1 162.618 -1.432 -10.583 1.00 5.04 S ATOM 1414 CE MET B 1 164.373 -1.015 -10.743 1.00 5.66 C ATOM 0 H1 MET B 1 163.118 1.374 -7.472 1.00 3.74 H new ATOM 0 H2 MET B 1 163.131 1.407 -5.774 1.00 3.74 H new ATOM 0 H3 MET B 1 164.460 0.774 -6.621 1.00 3.74 H new ATOM 0 HA MET B 1 161.722 -0.376 -6.453 1.00 3.26 H new ATOM 0 HB2 MET B 1 164.153 -1.181 -8.117 1.00 3.75 H new ATOM 0 HB3 MET B 1 162.808 -2.261 -7.811 1.00 3.75 H new ATOM 0 HG2 MET B 1 161.234 -0.567 -8.806 1.00 4.33 H new ATOM 0 HG3 MET B 1 162.591 0.494 -9.129 1.00 4.33 H new ATOM 0 HE1 MET B 1 164.606 -0.816 -11.789 1.00 5.66 H new ATOM 0 HE2 MET B 1 164.592 -0.129 -10.148 1.00 5.66 H new ATOM 0 HE3 MET B 1 164.979 -1.849 -10.389 1.00 5.66 H new ATOM 1426 N THR B 2 164.339 -0.745 -4.723 1.00 1.63 N ATOM 1427 CA THR B 2 164.934 -1.495 -3.582 1.00 1.44 C ATOM 1428 C THR B 2 163.896 -1.604 -2.464 1.00 1.17 C ATOM 1429 O THR B 2 163.348 -0.616 -2.016 1.00 1.22 O ATOM 1430 CB THR B 2 166.167 -0.748 -3.068 1.00 2.22 C ATOM 1431 OG1 THR B 2 167.046 -0.487 -4.153 1.00 2.78 O ATOM 1432 CG2 THR B 2 166.886 -1.601 -2.020 1.00 3.02 C ATOM 0 H THR B 2 164.734 0.180 -4.892 1.00 1.63 H new ATOM 0 HA THR B 2 165.229 -2.492 -3.908 1.00 1.44 H new ATOM 0 HB THR B 2 165.858 0.194 -2.614 1.00 2.22 H new ATOM 0 HG1 THR B 2 167.836 -0.007 -3.826 1.00 2.78 H new ATOM 0 HG21 THR B 2 167.763 -1.067 -1.656 1.00 3.02 H new ATOM 0 HG22 THR B 2 166.211 -1.800 -1.188 1.00 3.02 H new ATOM 0 HG23 THR B 2 167.196 -2.544 -2.469 1.00 3.02 H new ATOM 1440 N THR B 3 163.614 -2.804 -2.021 1.00 0.96 N ATOM 1441 CA THR B 3 162.599 -3.000 -0.939 1.00 0.76 C ATOM 1442 C THR B 3 163.296 -3.360 0.375 1.00 0.69 C ATOM 1443 O THR B 3 164.181 -4.193 0.414 1.00 0.75 O ATOM 1444 CB THR B 3 161.660 -4.141 -1.337 1.00 0.69 C ATOM 1445 OG1 THR B 3 162.293 -5.386 -1.080 1.00 0.80 O ATOM 1446 CG2 THR B 3 161.326 -4.035 -2.826 1.00 0.76 C ATOM 0 H THR B 3 164.046 -3.662 -2.364 1.00 0.96 H new ATOM 0 HA THR B 3 162.034 -2.077 -0.804 1.00 0.76 H new ATOM 0 HB THR B 3 160.741 -4.073 -0.755 1.00 0.69 H new ATOM 0 HG1 THR B 3 163.209 -5.229 -0.770 1.00 0.80 H new ATOM 0 HG21 THR B 3 160.657 -4.848 -3.108 1.00 0.76 H new ATOM 0 HG22 THR B 3 160.839 -3.080 -3.022 1.00 0.76 H new ATOM 0 HG23 THR B 3 162.244 -4.101 -3.410 1.00 0.76 H new ATOM 1454 N SER B 4 162.889 -2.750 1.455 1.00 0.63 N ATOM 1455 CA SER B 4 163.506 -3.062 2.779 1.00 0.62 C ATOM 1456 C SER B 4 162.743 -4.227 3.412 1.00 0.60 C ATOM 1457 O SER B 4 161.789 -4.736 2.859 1.00 0.58 O ATOM 1458 CB SER B 4 163.406 -1.835 3.688 1.00 0.63 C ATOM 1459 OG SER B 4 164.269 -0.816 3.199 1.00 1.50 O ATOM 0 H SER B 4 162.152 -2.045 1.479 1.00 0.63 H new ATOM 0 HA SER B 4 164.555 -3.329 2.649 1.00 0.62 H new ATOM 0 HB2 SER B 4 162.378 -1.473 3.718 1.00 0.63 H new ATOM 0 HB3 SER B 4 163.680 -2.101 4.709 1.00 0.63 H new ATOM 0 HG SER B 4 164.206 -0.028 3.778 1.00 1.50 H new ATOM 1465 N GLN B 5 163.171 -4.656 4.567 1.00 0.63 N ATOM 1466 CA GLN B 5 162.495 -5.795 5.252 1.00 0.64 C ATOM 1467 C GLN B 5 161.036 -5.432 5.517 1.00 0.60 C ATOM 1468 O GLN B 5 160.184 -6.290 5.638 1.00 0.60 O ATOM 1469 CB GLN B 5 163.200 -6.074 6.583 1.00 0.71 C ATOM 1470 CG GLN B 5 164.609 -6.611 6.317 1.00 1.34 C ATOM 1471 CD GLN B 5 164.528 -8.007 5.693 1.00 1.59 C ATOM 1472 OE1 GLN B 5 165.381 -8.386 4.917 1.00 2.09 O ATOM 1473 NE2 GLN B 5 163.539 -8.797 6.010 1.00 2.18 N ATOM 0 H GLN B 5 163.967 -4.263 5.070 1.00 0.63 H new ATOM 0 HA GLN B 5 162.541 -6.682 4.621 1.00 0.64 H new ATOM 0 HB2 GLN B 5 163.254 -5.161 7.176 1.00 0.71 H new ATOM 0 HB3 GLN B 5 162.628 -6.798 7.164 1.00 0.71 H new ATOM 0 HG2 GLN B 5 165.144 -5.936 5.650 1.00 1.34 H new ATOM 0 HG3 GLN B 5 165.173 -6.652 7.249 1.00 1.34 H new ATOM 0 HE21 GLN B 5 162.822 -8.480 6.662 1.00 2.18 H new ATOM 0 HE22 GLN B 5 163.483 -9.732 5.606 1.00 2.18 H new ATOM 1482 N LYS B 6 160.739 -4.164 5.609 1.00 0.59 N ATOM 1483 CA LYS B 6 159.337 -3.738 5.865 1.00 0.57 C ATOM 1484 C LYS B 6 158.445 -4.219 4.720 1.00 0.51 C ATOM 1485 O LYS B 6 157.305 -4.588 4.921 1.00 0.50 O ATOM 1486 CB LYS B 6 159.278 -2.211 5.935 1.00 0.58 C ATOM 1487 CG LYS B 6 159.986 -1.731 7.204 1.00 0.66 C ATOM 1488 CD LYS B 6 159.928 -0.204 7.275 1.00 0.80 C ATOM 1489 CE LYS B 6 160.636 0.274 8.544 1.00 1.25 C ATOM 1490 NZ LYS B 6 160.566 1.760 8.623 1.00 2.01 N ATOM 0 H LYS B 6 161.412 -3.403 5.517 1.00 0.59 H new ATOM 0 HA LYS B 6 158.992 -4.165 6.807 1.00 0.57 H new ATOM 0 HB2 LYS B 6 159.753 -1.777 5.055 1.00 0.58 H new ATOM 0 HB3 LYS B 6 158.241 -1.876 5.936 1.00 0.58 H new ATOM 0 HG2 LYS B 6 159.511 -2.165 8.084 1.00 0.66 H new ATOM 0 HG3 LYS B 6 161.023 -2.066 7.203 1.00 0.66 H new ATOM 0 HD2 LYS B 6 160.403 0.230 6.395 1.00 0.80 H new ATOM 0 HD3 LYS B 6 158.891 0.132 7.276 1.00 0.80 H new ATOM 0 HE2 LYS B 6 160.169 -0.170 9.423 1.00 1.25 H new ATOM 0 HE3 LYS B 6 161.676 -0.052 8.537 1.00 1.25 H new ATOM 0 HZ1 LYS B 6 161.047 2.085 9.486 1.00 2.01 H new ATOM 0 HZ2 LYS B 6 161.031 2.174 7.790 1.00 2.01 H new ATOM 0 HZ3 LYS B 6 159.570 2.060 8.648 1.00 2.01 H new ATOM 1504 N HIS B 7 158.947 -4.196 3.517 1.00 0.49 N ATOM 1505 CA HIS B 7 158.118 -4.624 2.356 1.00 0.45 C ATOM 1506 C HIS B 7 157.665 -6.078 2.518 1.00 0.45 C ATOM 1507 O HIS B 7 156.490 -6.378 2.452 1.00 0.43 O ATOM 1508 CB HIS B 7 158.952 -4.485 1.078 1.00 0.45 C ATOM 1509 CG HIS B 7 158.205 -5.060 -0.094 1.00 0.42 C ATOM 1510 ND1 HIS B 7 157.348 -4.300 -0.877 1.00 0.39 N ATOM 1511 CD2 HIS B 7 158.187 -6.323 -0.633 1.00 0.45 C ATOM 1512 CE1 HIS B 7 156.855 -5.105 -1.837 1.00 0.38 C ATOM 1513 NE2 HIS B 7 157.336 -6.344 -1.731 1.00 0.42 N ATOM 0 H HIS B 7 159.896 -3.899 3.288 1.00 0.49 H new ATOM 0 HA HIS B 7 157.230 -3.994 2.299 1.00 0.45 H new ATOM 0 HB2 HIS B 7 159.178 -3.435 0.895 1.00 0.45 H new ATOM 0 HB3 HIS B 7 159.905 -5.000 1.199 1.00 0.45 H new ATOM 0 HD2 HIS B 7 158.747 -7.168 -0.261 1.00 0.45 H new ATOM 0 HE1 HIS B 7 156.157 -4.787 -2.598 1.00 0.38 H new ATOM 0 HE2 HIS B 7 157.124 -7.141 -2.331 1.00 0.42 H new ATOM 1521 N ARG B 8 158.583 -6.988 2.730 1.00 0.48 N ATOM 1522 CA ARG B 8 158.201 -8.418 2.896 1.00 0.50 C ATOM 1523 C ARG B 8 157.473 -8.616 4.220 1.00 0.51 C ATOM 1524 O ARG B 8 156.581 -9.433 4.337 1.00 0.51 O ATOM 1525 CB ARG B 8 159.457 -9.287 2.864 1.00 0.55 C ATOM 1526 CG ARG B 8 160.006 -9.326 1.438 1.00 0.57 C ATOM 1527 CD ARG B 8 161.262 -10.193 1.399 1.00 1.00 C ATOM 1528 NE ARG B 8 161.796 -10.232 0.009 1.00 1.70 N ATOM 1529 CZ ARG B 8 163.016 -10.634 -0.208 1.00 2.29 C ATOM 1530 NH1 ARG B 8 163.779 -10.969 0.796 1.00 2.43 N ATOM 1531 NH2 ARG B 8 163.477 -10.693 -1.427 1.00 3.23 N ATOM 0 H ARG B 8 159.583 -6.798 2.795 1.00 0.48 H new ATOM 0 HA ARG B 8 157.537 -8.707 2.082 1.00 0.50 H new ATOM 0 HB2 ARG B 8 160.208 -8.886 3.545 1.00 0.55 H new ATOM 0 HB3 ARG B 8 159.224 -10.296 3.204 1.00 0.55 H new ATOM 0 HG2 ARG B 8 159.254 -9.726 0.758 1.00 0.57 H new ATOM 0 HG3 ARG B 8 160.238 -8.316 1.098 1.00 0.57 H new ATOM 0 HD2 ARG B 8 162.015 -9.792 2.078 1.00 1.00 H new ATOM 0 HD3 ARG B 8 161.031 -11.202 1.740 1.00 1.00 H new ATOM 0 HE ARG B 8 161.207 -9.944 -0.772 1.00 1.70 H new ATOM 0 HH11 ARG B 8 163.420 -10.916 1.749 1.00 2.43 H new ATOM 0 HH12 ARG B 8 164.734 -11.284 0.628 1.00 2.43 H new ATOM 0 HH21 ARG B 8 162.882 -10.424 -2.211 1.00 3.23 H new ATOM 0 HH22 ARG B 8 164.432 -11.008 -1.596 1.00 3.23 H new ATOM 1545 N ASP B 9 157.842 -7.872 5.217 1.00 0.52 N ATOM 1546 CA ASP B 9 157.172 -8.008 6.534 1.00 0.54 C ATOM 1547 C ASP B 9 155.746 -7.469 6.435 1.00 0.49 C ATOM 1548 O ASP B 9 154.823 -8.013 7.003 1.00 0.48 O ATOM 1549 CB ASP B 9 157.947 -7.218 7.588 1.00 0.61 C ATOM 1550 CG ASP B 9 159.282 -7.912 7.866 1.00 0.68 C ATOM 1551 OD1 ASP B 9 159.365 -9.106 7.634 1.00 0.67 O ATOM 1552 OD2 ASP B 9 160.199 -7.236 8.300 1.00 0.76 O ATOM 0 H ASP B 9 158.582 -7.172 5.177 1.00 0.52 H new ATOM 0 HA ASP B 9 157.144 -9.059 6.821 1.00 0.54 H new ATOM 0 HB2 ASP B 9 158.120 -6.200 7.240 1.00 0.61 H new ATOM 0 HB3 ASP B 9 157.364 -7.147 8.506 1.00 0.61 H new ATOM 1557 N PHE B 10 155.566 -6.390 5.723 1.00 0.46 N ATOM 1558 CA PHE B 10 154.205 -5.795 5.597 1.00 0.43 C ATOM 1559 C PHE B 10 153.264 -6.767 4.878 1.00 0.37 C ATOM 1560 O PHE B 10 152.156 -7.007 5.317 1.00 0.36 O ATOM 1561 CB PHE B 10 154.312 -4.491 4.802 1.00 0.45 C ATOM 1562 CG PHE B 10 152.995 -3.757 4.847 1.00 0.43 C ATOM 1563 CD1 PHE B 10 152.746 -2.837 5.872 1.00 0.44 C ATOM 1564 CD2 PHE B 10 152.029 -3.983 3.860 1.00 0.43 C ATOM 1565 CE1 PHE B 10 151.532 -2.144 5.912 1.00 0.44 C ATOM 1566 CE2 PHE B 10 150.813 -3.291 3.902 1.00 0.43 C ATOM 1567 CZ PHE B 10 150.566 -2.372 4.927 1.00 0.43 C ATOM 0 H PHE B 10 156.304 -5.894 5.222 1.00 0.46 H new ATOM 0 HA PHE B 10 153.800 -5.595 6.589 1.00 0.43 H new ATOM 0 HB2 PHE B 10 155.102 -3.865 5.217 1.00 0.45 H new ATOM 0 HB3 PHE B 10 154.584 -4.705 3.769 1.00 0.45 H new ATOM 0 HD1 PHE B 10 153.492 -2.662 6.633 1.00 0.44 H new ATOM 0 HD2 PHE B 10 152.221 -4.690 3.067 1.00 0.43 H new ATOM 0 HE1 PHE B 10 151.341 -1.434 6.703 1.00 0.44 H new ATOM 0 HE2 PHE B 10 150.065 -3.467 3.143 1.00 0.43 H new ATOM 0 HZ PHE B 10 149.628 -1.838 4.958 1.00 0.43 H new ATOM 1577 N VAL B 11 153.688 -7.327 3.777 1.00 0.37 N ATOM 1578 CA VAL B 11 152.808 -8.278 3.035 1.00 0.35 C ATOM 1579 C VAL B 11 152.874 -9.661 3.691 1.00 0.36 C ATOM 1580 O VAL B 11 152.455 -10.646 3.118 1.00 0.37 O ATOM 1581 CB VAL B 11 153.282 -8.383 1.584 1.00 0.37 C ATOM 1582 CG1 VAL B 11 153.249 -6.998 0.931 1.00 0.44 C ATOM 1583 CG2 VAL B 11 154.711 -8.928 1.557 1.00 0.40 C ATOM 0 H VAL B 11 154.605 -7.168 3.359 1.00 0.37 H new ATOM 0 HA VAL B 11 151.781 -7.914 3.060 1.00 0.35 H new ATOM 0 HB VAL B 11 152.624 -9.056 1.034 1.00 0.37 H new ATOM 0 HG11 VAL B 11 153.587 -7.075 -0.102 1.00 0.44 H new ATOM 0 HG12 VAL B 11 152.231 -6.610 0.952 1.00 0.44 H new ATOM 0 HG13 VAL B 11 153.906 -6.322 1.478 1.00 0.44 H new ATOM 0 HG21 VAL B 11 155.052 -9.004 0.524 1.00 0.40 H new ATOM 0 HG22 VAL B 11 155.368 -8.254 2.107 1.00 0.40 H new ATOM 0 HG23 VAL B 11 154.733 -9.915 2.020 1.00 0.40 H new ATOM 1593 N ALA B 12 153.392 -9.735 4.895 1.00 0.41 N ATOM 1594 CA ALA B 12 153.488 -11.048 5.614 1.00 0.47 C ATOM 1595 C ALA B 12 152.549 -11.056 6.824 1.00 0.45 C ATOM 1596 O ALA B 12 152.310 -12.086 7.425 1.00 0.48 O ATOM 1597 CB ALA B 12 154.925 -11.256 6.095 1.00 0.53 C ATOM 0 H ALA B 12 153.755 -8.936 5.415 1.00 0.41 H new ATOM 0 HA ALA B 12 153.202 -11.849 4.932 1.00 0.47 H new ATOM 0 HB1 ALA B 12 154.999 -12.209 6.618 1.00 0.53 H new ATOM 0 HB2 ALA B 12 155.599 -11.259 5.238 1.00 0.53 H new ATOM 0 HB3 ALA B 12 155.203 -10.448 6.772 1.00 0.53 H new ATOM 1603 N GLU B 13 152.003 -9.924 7.184 1.00 0.42 N ATOM 1604 CA GLU B 13 151.069 -9.883 8.351 1.00 0.43 C ATOM 1605 C GLU B 13 150.105 -8.697 8.180 1.00 0.39 C ATOM 1606 O GLU B 13 150.460 -7.702 7.579 1.00 0.36 O ATOM 1607 CB GLU B 13 151.877 -9.713 9.645 1.00 0.46 C ATOM 1608 CG GLU B 13 152.664 -8.402 9.603 1.00 0.48 C ATOM 1609 CD GLU B 13 153.542 -8.296 10.851 1.00 0.62 C ATOM 1610 OE1 GLU B 13 154.499 -9.047 10.943 1.00 1.27 O ATOM 1611 OE2 GLU B 13 153.242 -7.466 11.693 1.00 1.04 O ATOM 0 H GLU B 13 152.162 -9.028 6.723 1.00 0.42 H new ATOM 0 HA GLU B 13 150.500 -10.811 8.404 1.00 0.43 H new ATOM 0 HB2 GLU B 13 151.207 -9.717 10.505 1.00 0.46 H new ATOM 0 HB3 GLU B 13 152.560 -10.553 9.770 1.00 0.46 H new ATOM 0 HG2 GLU B 13 153.282 -8.365 8.706 1.00 0.48 H new ATOM 0 HG3 GLU B 13 151.979 -7.555 9.554 1.00 0.48 H new ATOM 1618 N PRO B 14 148.904 -8.777 8.709 1.00 0.42 N ATOM 1619 CA PRO B 14 147.921 -7.663 8.605 1.00 0.40 C ATOM 1620 C PRO B 14 148.583 -6.290 8.791 1.00 0.36 C ATOM 1621 O PRO B 14 149.710 -6.189 9.234 1.00 0.36 O ATOM 1622 CB PRO B 14 146.940 -7.952 9.745 1.00 0.45 C ATOM 1623 CG PRO B 14 146.943 -9.443 9.888 1.00 0.49 C ATOM 1624 CD PRO B 14 148.340 -9.923 9.456 1.00 0.48 C ATOM 0 HA PRO B 14 147.448 -7.618 7.624 1.00 0.40 H new ATOM 0 HB2 PRO B 14 147.254 -7.466 10.669 1.00 0.45 H new ATOM 0 HB3 PRO B 14 145.943 -7.580 9.512 1.00 0.45 H new ATOM 0 HG2 PRO B 14 146.735 -9.734 10.918 1.00 0.49 H new ATOM 0 HG3 PRO B 14 146.169 -9.893 9.266 1.00 0.49 H new ATOM 0 HD2 PRO B 14 148.957 -10.179 10.317 1.00 0.48 H new ATOM 0 HD3 PRO B 14 148.279 -10.814 8.831 1.00 0.48 H new ATOM 1632 N MET B 15 147.887 -5.233 8.467 1.00 0.35 N ATOM 1633 CA MET B 15 148.466 -3.866 8.633 1.00 0.34 C ATOM 1634 C MET B 15 148.074 -3.320 10.009 1.00 0.35 C ATOM 1635 O MET B 15 148.689 -2.410 10.529 1.00 0.37 O ATOM 1636 CB MET B 15 147.901 -2.943 7.544 1.00 0.36 C ATOM 1637 CG MET B 15 146.423 -3.278 7.308 1.00 0.40 C ATOM 1638 SD MET B 15 145.574 -1.841 6.601 1.00 0.56 S ATOM 1639 CE MET B 15 146.783 -1.446 5.314 1.00 0.42 C ATOM 0 H MET B 15 146.938 -5.257 8.093 1.00 0.35 H new ATOM 0 HA MET B 15 149.552 -3.912 8.549 1.00 0.34 H new ATOM 0 HB2 MET B 15 148.005 -1.901 7.845 1.00 0.36 H new ATOM 0 HB3 MET B 15 148.465 -3.066 6.619 1.00 0.36 H new ATOM 0 HG2 MET B 15 146.337 -4.131 6.635 1.00 0.40 H new ATOM 0 HG3 MET B 15 145.951 -3.565 8.248 1.00 0.40 H new ATOM 0 HE1 MET B 15 146.342 -0.748 4.602 1.00 0.42 H new ATOM 0 HE2 MET B 15 147.664 -0.993 5.769 1.00 0.42 H new ATOM 0 HE3 MET B 15 147.073 -2.359 4.794 1.00 0.42 H new ATOM 1649 N GLY B 16 147.047 -3.871 10.596 1.00 0.36 N ATOM 1650 CA GLY B 16 146.599 -3.390 11.935 1.00 0.39 C ATOM 1651 C GLY B 16 146.537 -1.861 11.932 1.00 0.38 C ATOM 1652 O GLY B 16 146.129 -1.251 10.963 1.00 0.37 O ATOM 0 H GLY B 16 146.497 -4.636 10.205 1.00 0.36 H new ATOM 0 HA2 GLY B 16 145.619 -3.804 12.173 1.00 0.39 H new ATOM 0 HA3 GLY B 16 147.287 -3.735 12.707 1.00 0.39 H new ATOM 1656 N GLU B 17 146.926 -1.241 13.017 1.00 0.40 N ATOM 1657 CA GLU B 17 146.882 0.253 13.104 1.00 0.41 C ATOM 1658 C GLU B 17 148.300 0.817 13.035 1.00 0.38 C ATOM 1659 O GLU B 17 148.589 1.853 13.599 1.00 0.39 O ATOM 1660 CB GLU B 17 146.249 0.660 14.435 1.00 0.46 C ATOM 1661 CG GLU B 17 144.770 0.269 14.438 1.00 0.50 C ATOM 1662 CD GLU B 17 144.137 0.676 15.770 1.00 0.55 C ATOM 1663 OE1 GLU B 17 144.877 1.050 16.665 1.00 0.73 O ATOM 1664 OE2 GLU B 17 142.923 0.608 15.872 1.00 0.84 O ATOM 0 H GLU B 17 147.275 -1.708 13.854 1.00 0.40 H new ATOM 0 HA GLU B 17 146.294 0.645 12.274 1.00 0.41 H new ATOM 0 HB2 GLU B 17 146.767 0.171 15.260 1.00 0.46 H new ATOM 0 HB3 GLU B 17 146.352 1.735 14.585 1.00 0.46 H new ATOM 0 HG2 GLU B 17 144.252 0.758 13.613 1.00 0.50 H new ATOM 0 HG3 GLU B 17 144.667 -0.806 14.287 1.00 0.50 H new ATOM 1671 N LYS B 18 149.196 0.150 12.356 1.00 0.36 N ATOM 1672 CA LYS B 18 150.593 0.656 12.270 1.00 0.35 C ATOM 1673 C LYS B 18 150.578 2.042 11.607 1.00 0.31 C ATOM 1674 O LYS B 18 149.723 2.328 10.791 1.00 0.30 O ATOM 1675 CB LYS B 18 151.419 -0.317 11.423 1.00 0.35 C ATOM 1676 CG LYS B 18 151.438 -1.689 12.100 1.00 0.45 C ATOM 1677 CD LYS B 18 152.117 -2.706 11.178 1.00 1.16 C ATOM 1678 CE LYS B 18 152.235 -4.049 11.898 1.00 1.44 C ATOM 1679 NZ LYS B 18 150.872 -4.586 12.176 1.00 2.02 N ATOM 0 H LYS B 18 149.019 -0.723 11.858 1.00 0.36 H new ATOM 0 HA LYS B 18 151.032 0.734 13.265 1.00 0.35 H new ATOM 0 HB2 LYS B 18 150.993 -0.398 10.423 1.00 0.35 H new ATOM 0 HB3 LYS B 18 152.436 0.058 11.307 1.00 0.35 H new ATOM 0 HG2 LYS B 18 151.971 -1.630 13.049 1.00 0.45 H new ATOM 0 HG3 LYS B 18 150.421 -2.009 12.325 1.00 0.45 H new ATOM 0 HD2 LYS B 18 151.540 -2.823 10.261 1.00 1.16 H new ATOM 0 HD3 LYS B 18 153.105 -2.348 10.890 1.00 1.16 H new ATOM 0 HE2 LYS B 18 152.797 -4.754 11.285 1.00 1.44 H new ATOM 0 HE3 LYS B 18 152.786 -3.927 12.830 1.00 1.44 H new ATOM 0 HZ1 LYS B 18 150.937 -5.601 12.395 1.00 2.02 H new ATOM 0 HZ2 LYS B 18 150.459 -4.083 12.987 1.00 2.02 H new ATOM 0 HZ3 LYS B 18 150.268 -4.450 11.340 1.00 2.02 H new ATOM 1693 N PRO B 19 151.498 2.912 11.962 1.00 0.31 N ATOM 1694 CA PRO B 19 151.551 4.294 11.392 1.00 0.29 C ATOM 1695 C PRO B 19 151.764 4.302 9.873 1.00 0.25 C ATOM 1696 O PRO B 19 152.293 3.372 9.298 1.00 0.23 O ATOM 1697 CB PRO B 19 152.737 4.958 12.126 1.00 0.32 C ATOM 1698 CG PRO B 19 153.561 3.823 12.647 1.00 0.32 C ATOM 1699 CD PRO B 19 152.583 2.687 12.934 1.00 0.34 C ATOM 0 HA PRO B 19 150.609 4.823 11.537 1.00 0.29 H new ATOM 0 HB2 PRO B 19 153.316 5.587 11.450 1.00 0.32 H new ATOM 0 HB3 PRO B 19 152.390 5.597 12.938 1.00 0.32 H new ATOM 0 HG2 PRO B 19 154.310 3.517 11.916 1.00 0.32 H new ATOM 0 HG3 PRO B 19 154.097 4.113 13.550 1.00 0.32 H new ATOM 0 HD2 PRO B 19 153.049 1.712 12.796 1.00 0.34 H new ATOM 0 HD3 PRO B 19 152.216 2.723 13.960 1.00 0.34 H new ATOM 1707 N VAL B 20 151.345 5.357 9.229 1.00 0.24 N ATOM 1708 CA VAL B 20 151.504 5.459 7.752 1.00 0.22 C ATOM 1709 C VAL B 20 152.977 5.317 7.368 1.00 0.21 C ATOM 1710 O VAL B 20 153.332 4.595 6.459 1.00 0.22 O ATOM 1711 CB VAL B 20 150.981 6.819 7.282 1.00 0.26 C ATOM 1712 CG1 VAL B 20 151.735 7.944 7.998 1.00 0.32 C ATOM 1713 CG2 VAL B 20 151.183 6.950 5.771 1.00 0.28 C ATOM 0 H VAL B 20 150.895 6.160 9.668 1.00 0.24 H new ATOM 0 HA VAL B 20 150.937 4.659 7.275 1.00 0.22 H new ATOM 0 HB VAL B 20 149.919 6.894 7.516 1.00 0.26 H new ATOM 0 HG11 VAL B 20 151.357 8.909 7.659 1.00 0.32 H new ATOM 0 HG12 VAL B 20 151.586 7.854 9.074 1.00 0.32 H new ATOM 0 HG13 VAL B 20 152.799 7.871 7.772 1.00 0.32 H new ATOM 0 HG21 VAL B 20 150.811 7.918 5.437 1.00 0.28 H new ATOM 0 HG22 VAL B 20 152.245 6.869 5.537 1.00 0.28 H new ATOM 0 HG23 VAL B 20 150.638 6.156 5.261 1.00 0.28 H new ATOM 1723 N GLY B 21 153.834 6.025 8.056 1.00 0.22 N ATOM 1724 CA GLY B 21 155.290 5.967 7.743 1.00 0.21 C ATOM 1725 C GLY B 21 155.775 4.517 7.709 1.00 0.19 C ATOM 1726 O GLY B 21 156.922 4.252 7.405 1.00 0.19 O ATOM 0 H GLY B 21 153.584 6.645 8.827 1.00 0.22 H new ATOM 0 HA2 GLY B 21 155.480 6.443 6.781 1.00 0.21 H new ATOM 0 HA3 GLY B 21 155.851 6.527 8.491 1.00 0.21 H new ATOM 1730 N SER B 22 154.926 3.569 8.010 1.00 0.20 N ATOM 1731 CA SER B 22 155.365 2.144 7.981 1.00 0.20 C ATOM 1732 C SER B 22 155.292 1.616 6.545 1.00 0.19 C ATOM 1733 O SER B 22 155.945 0.654 6.195 1.00 0.20 O ATOM 1734 CB SER B 22 154.445 1.312 8.875 1.00 0.23 C ATOM 1735 OG SER B 22 154.955 -0.011 8.973 1.00 1.24 O ATOM 0 H SER B 22 153.952 3.720 8.273 1.00 0.20 H new ATOM 0 HA SER B 22 156.390 2.072 8.343 1.00 0.20 H new ATOM 0 HB2 SER B 22 154.377 1.762 9.865 1.00 0.23 H new ATOM 0 HB3 SER B 22 153.436 1.295 8.463 1.00 0.23 H new ATOM 0 HG SER B 22 154.368 -0.546 9.547 1.00 1.24 H new ATOM 1741 N LEU B 23 154.497 2.234 5.709 1.00 0.18 N ATOM 1742 CA LEU B 23 154.383 1.756 4.300 1.00 0.18 C ATOM 1743 C LEU B 23 155.732 1.891 3.597 1.00 0.18 C ATOM 1744 O LEU B 23 156.422 2.884 3.727 1.00 0.18 O ATOM 1745 CB LEU B 23 153.350 2.597 3.548 1.00 0.19 C ATOM 1746 CG LEU B 23 151.968 2.447 4.192 1.00 0.21 C ATOM 1747 CD1 LEU B 23 150.997 3.414 3.512 1.00 0.23 C ATOM 1748 CD2 LEU B 23 151.455 1.003 4.030 1.00 0.24 C ATOM 0 H LEU B 23 153.924 3.046 5.941 1.00 0.18 H new ATOM 0 HA LEU B 23 154.073 0.711 4.308 1.00 0.18 H new ATOM 0 HB2 LEU B 23 153.650 3.645 3.555 1.00 0.19 H new ATOM 0 HB3 LEU B 23 153.308 2.285 2.504 1.00 0.19 H new ATOM 0 HG LEU B 23 152.040 2.674 5.256 1.00 0.21 H new ATOM 0 HD11 LEU B 23 150.010 3.315 3.963 1.00 0.23 H new ATOM 0 HD12 LEU B 23 151.353 4.436 3.639 1.00 0.23 H new ATOM 0 HD13 LEU B 23 150.935 3.180 2.449 1.00 0.23 H new ATOM 0 HD21 LEU B 23 150.472 0.912 4.493 1.00 0.24 H new ATOM 0 HD22 LEU B 23 151.381 0.760 2.970 1.00 0.24 H new ATOM 0 HD23 LEU B 23 152.148 0.314 4.513 1.00 0.24 H new ATOM 1760 N ALA B 24 156.105 0.896 2.847 1.00 0.18 N ATOM 1761 CA ALA B 24 157.404 0.958 2.123 1.00 0.19 C ATOM 1762 C ALA B 24 157.352 2.058 1.057 1.00 0.19 C ATOM 1763 O ALA B 24 156.401 2.176 0.310 1.00 0.20 O ATOM 1764 CB ALA B 24 157.678 -0.389 1.453 1.00 0.21 C ATOM 0 H ALA B 24 155.567 0.041 2.703 1.00 0.18 H new ATOM 0 HA ALA B 24 158.201 1.182 2.832 1.00 0.19 H new ATOM 0 HB1 ALA B 24 158.629 -0.345 0.922 1.00 0.21 H new ATOM 0 HB2 ALA B 24 157.722 -1.170 2.212 1.00 0.21 H new ATOM 0 HB3 ALA B 24 156.879 -0.613 0.747 1.00 0.21 H new ATOM 1770 N GLY B 25 158.378 2.863 0.994 1.00 0.20 N ATOM 1771 CA GLY B 25 158.416 3.972 -0.013 1.00 0.21 C ATOM 1772 C GLY B 25 158.023 5.287 0.664 1.00 0.20 C ATOM 1773 O GLY B 25 158.325 6.360 0.183 1.00 0.22 O ATOM 0 H GLY B 25 159.198 2.803 1.598 1.00 0.20 H new ATOM 0 HA2 GLY B 25 159.415 4.055 -0.441 1.00 0.21 H new ATOM 0 HA3 GLY B 25 157.734 3.755 -0.835 1.00 0.21 H new ATOM 1777 N ILE B 26 157.359 5.211 1.787 1.00 0.20 N ATOM 1778 CA ILE B 26 156.955 6.453 2.514 1.00 0.21 C ATOM 1779 C ILE B 26 157.956 6.673 3.644 1.00 0.23 C ATOM 1780 O ILE B 26 158.024 5.894 4.574 1.00 0.25 O ATOM 1781 CB ILE B 26 155.550 6.270 3.094 1.00 0.22 C ATOM 1782 CG1 ILE B 26 154.567 5.892 1.973 1.00 0.22 C ATOM 1783 CG2 ILE B 26 155.093 7.568 3.763 1.00 0.24 C ATOM 1784 CD1 ILE B 26 154.641 6.906 0.823 1.00 0.24 C ATOM 0 H ILE B 26 157.077 4.339 2.235 1.00 0.20 H new ATOM 0 HA ILE B 26 156.946 7.310 1.841 1.00 0.21 H new ATOM 0 HB ILE B 26 155.572 5.471 3.835 1.00 0.22 H new ATOM 0 HG12 ILE B 26 154.799 4.894 1.600 1.00 0.22 H new ATOM 0 HG13 ILE B 26 153.552 5.857 2.369 1.00 0.22 H new ATOM 0 HG21 ILE B 26 154.093 7.433 4.174 1.00 0.24 H new ATOM 0 HG22 ILE B 26 155.784 7.826 4.566 1.00 0.24 H new ATOM 0 HG23 ILE B 26 155.077 8.371 3.026 1.00 0.24 H new ATOM 0 HD11 ILE B 26 153.938 6.620 0.040 1.00 0.24 H new ATOM 0 HD12 ILE B 26 154.386 7.898 1.196 1.00 0.24 H new ATOM 0 HD13 ILE B 26 155.652 6.921 0.415 1.00 0.24 H new ATOM 1796 N GLY B 27 158.742 7.715 3.587 1.00 0.24 N ATOM 1797 CA GLY B 27 159.735 7.954 4.671 1.00 0.27 C ATOM 1798 C GLY B 27 159.104 8.800 5.774 1.00 0.28 C ATOM 1799 O GLY B 27 157.970 9.226 5.678 1.00 0.27 O ATOM 0 H GLY B 27 158.739 8.408 2.839 1.00 0.24 H new ATOM 0 HA2 GLY B 27 160.076 7.003 5.080 1.00 0.27 H new ATOM 0 HA3 GLY B 27 160.612 8.461 4.268 1.00 0.27 H new ATOM 1803 N GLU B 28 159.829 9.031 6.830 1.00 0.30 N ATOM 1804 CA GLU B 28 159.269 9.832 7.951 1.00 0.32 C ATOM 1805 C GLU B 28 158.853 11.213 7.440 1.00 0.32 C ATOM 1806 O GLU B 28 157.834 11.746 7.832 1.00 0.35 O ATOM 1807 CB GLU B 28 160.329 9.994 9.042 1.00 0.36 C ATOM 1808 CG GLU B 28 160.589 8.640 9.706 1.00 0.39 C ATOM 1809 CD GLU B 28 161.650 8.803 10.796 1.00 1.27 C ATOM 1810 OE1 GLU B 28 162.210 9.882 10.894 1.00 2.00 O ATOM 1811 OE2 GLU B 28 161.887 7.843 11.511 1.00 1.64 O ATOM 0 H GLU B 28 160.784 8.700 6.966 1.00 0.30 H new ATOM 0 HA GLU B 28 158.398 9.319 8.360 1.00 0.32 H new ATOM 0 HB2 GLU B 28 161.252 10.383 8.612 1.00 0.36 H new ATOM 0 HB3 GLU B 28 159.994 10.717 9.785 1.00 0.36 H new ATOM 0 HG2 GLU B 28 159.666 8.251 10.137 1.00 0.39 H new ATOM 0 HG3 GLU B 28 160.924 7.917 8.963 1.00 0.39 H new ATOM 1818 N VAL B 29 159.631 11.803 6.576 1.00 0.31 N ATOM 1819 CA VAL B 29 159.271 13.152 6.058 1.00 0.33 C ATOM 1820 C VAL B 29 158.008 13.051 5.200 1.00 0.33 C ATOM 1821 O VAL B 29 157.083 13.824 5.349 1.00 0.35 O ATOM 1822 CB VAL B 29 160.433 13.697 5.219 1.00 0.34 C ATOM 1823 CG1 VAL B 29 159.996 14.966 4.480 1.00 0.38 C ATOM 1824 CG2 VAL B 29 161.611 14.023 6.139 1.00 0.35 C ATOM 0 H VAL B 29 160.498 11.411 6.207 1.00 0.31 H new ATOM 0 HA VAL B 29 159.080 13.828 6.891 1.00 0.33 H new ATOM 0 HB VAL B 29 160.732 12.945 4.489 1.00 0.34 H new ATOM 0 HG11 VAL B 29 160.828 15.346 3.887 1.00 0.38 H new ATOM 0 HG12 VAL B 29 159.158 14.734 3.823 1.00 0.38 H new ATOM 0 HG13 VAL B 29 159.691 15.722 5.204 1.00 0.38 H new ATOM 0 HG21 VAL B 29 162.439 14.411 5.546 1.00 0.35 H new ATOM 0 HG22 VAL B 29 161.306 14.772 6.870 1.00 0.35 H new ATOM 0 HG23 VAL B 29 161.929 13.119 6.658 1.00 0.35 H new ATOM 1834 N LEU B 30 157.961 12.108 4.301 1.00 0.32 N ATOM 1835 CA LEU B 30 156.759 11.961 3.432 1.00 0.33 C ATOM 1836 C LEU B 30 155.574 11.507 4.282 1.00 0.32 C ATOM 1837 O LEU B 30 154.458 11.953 4.101 1.00 0.33 O ATOM 1838 CB LEU B 30 157.032 10.922 2.340 1.00 0.33 C ATOM 1839 CG LEU B 30 158.208 11.373 1.462 1.00 0.35 C ATOM 1840 CD1 LEU B 30 158.544 10.258 0.466 1.00 0.36 C ATOM 1841 CD2 LEU B 30 157.839 12.656 0.693 1.00 0.40 C ATOM 0 H LEU B 30 158.705 11.431 4.130 1.00 0.32 H new ATOM 0 HA LEU B 30 156.531 12.919 2.966 1.00 0.33 H new ATOM 0 HB2 LEU B 30 157.257 9.957 2.794 1.00 0.33 H new ATOM 0 HB3 LEU B 30 156.142 10.786 1.726 1.00 0.33 H new ATOM 0 HG LEU B 30 159.071 11.580 2.095 1.00 0.35 H new ATOM 0 HD11 LEU B 30 159.379 10.570 -0.162 1.00 0.36 H new ATOM 0 HD12 LEU B 30 158.818 9.354 1.010 1.00 0.36 H new ATOM 0 HD13 LEU B 30 157.675 10.055 -0.160 1.00 0.36 H new ATOM 0 HD21 LEU B 30 158.682 12.965 0.075 1.00 0.40 H new ATOM 0 HD22 LEU B 30 156.974 12.464 0.058 1.00 0.40 H new ATOM 0 HD23 LEU B 30 157.600 13.449 1.402 1.00 0.40 H new ATOM 1853 N GLY B 31 155.809 10.623 5.206 1.00 0.33 N ATOM 1854 CA GLY B 31 154.696 10.143 6.067 1.00 0.34 C ATOM 1855 C GLY B 31 154.094 11.327 6.823 1.00 0.35 C ATOM 1856 O GLY B 31 152.897 11.423 6.989 1.00 0.36 O ATOM 0 H GLY B 31 156.722 10.212 5.403 1.00 0.33 H new ATOM 0 HA2 GLY B 31 153.932 9.660 5.458 1.00 0.34 H new ATOM 0 HA3 GLY B 31 155.062 9.396 6.771 1.00 0.34 H new ATOM 1860 N LYS B 32 154.918 12.225 7.287 1.00 0.35 N ATOM 1861 CA LYS B 32 154.401 13.399 8.047 1.00 0.37 C ATOM 1862 C LYS B 32 153.464 14.241 7.171 1.00 0.37 C ATOM 1863 O LYS B 32 152.458 14.738 7.638 1.00 0.38 O ATOM 1864 CB LYS B 32 155.584 14.254 8.503 1.00 0.40 C ATOM 1865 CG LYS B 32 155.101 15.327 9.482 1.00 1.18 C ATOM 1866 CD LYS B 32 156.275 16.223 9.899 1.00 1.36 C ATOM 1867 CE LYS B 32 157.341 15.397 10.634 1.00 2.07 C ATOM 1868 NZ LYS B 32 158.159 16.301 11.492 1.00 2.75 N ATOM 0 H LYS B 32 155.931 12.197 7.172 1.00 0.35 H new ATOM 0 HA LYS B 32 153.838 13.045 8.911 1.00 0.37 H new ATOM 0 HB2 LYS B 32 156.336 13.626 8.980 1.00 0.40 H new ATOM 0 HB3 LYS B 32 156.060 14.722 7.641 1.00 0.40 H new ATOM 0 HG2 LYS B 32 154.320 15.929 9.018 1.00 1.18 H new ATOM 0 HG3 LYS B 32 154.661 14.857 10.362 1.00 1.18 H new ATOM 0 HD2 LYS B 32 156.713 16.693 9.019 1.00 1.36 H new ATOM 0 HD3 LYS B 32 155.918 17.025 10.545 1.00 1.36 H new ATOM 0 HE2 LYS B 32 156.866 14.629 11.244 1.00 2.07 H new ATOM 0 HE3 LYS B 32 157.979 14.883 9.915 1.00 2.07 H new ATOM 0 HZ1 LYS B 32 158.882 15.745 11.991 1.00 2.75 H new ATOM 0 HZ2 LYS B 32 158.622 17.018 10.898 1.00 2.75 H new ATOM 0 HZ3 LYS B 32 157.544 16.772 12.186 1.00 2.75 H new ATOM 1882 N LYS B 33 153.779 14.426 5.917 1.00 0.35 N ATOM 1883 CA LYS B 33 152.887 15.261 5.056 1.00 0.36 C ATOM 1884 C LYS B 33 151.532 14.569 4.872 1.00 0.34 C ATOM 1885 O LYS B 33 150.495 15.200 4.931 1.00 0.36 O ATOM 1886 CB LYS B 33 153.535 15.457 3.684 1.00 0.36 C ATOM 1887 CG LYS B 33 154.754 16.371 3.811 1.00 0.39 C ATOM 1888 CD LYS B 33 155.391 16.558 2.433 1.00 0.64 C ATOM 1889 CE LYS B 33 156.612 17.473 2.550 1.00 0.66 C ATOM 1890 NZ LYS B 33 156.160 18.886 2.694 1.00 1.56 N ATOM 0 H LYS B 33 154.603 14.042 5.455 1.00 0.35 H new ATOM 0 HA LYS B 33 152.738 16.227 5.539 1.00 0.36 H new ATOM 0 HB2 LYS B 33 153.834 14.493 3.272 1.00 0.36 H new ATOM 0 HB3 LYS B 33 152.815 15.891 2.990 1.00 0.36 H new ATOM 0 HG2 LYS B 33 154.458 17.336 4.222 1.00 0.39 H new ATOM 0 HG3 LYS B 33 155.477 15.938 4.503 1.00 0.39 H new ATOM 0 HD2 LYS B 33 155.686 15.592 2.024 1.00 0.64 H new ATOM 0 HD3 LYS B 33 154.666 16.989 1.742 1.00 0.64 H new ATOM 0 HE2 LYS B 33 157.216 17.183 3.410 1.00 0.66 H new ATOM 0 HE3 LYS B 33 157.243 17.370 1.668 1.00 0.66 H new ATOM 0 HZ1 LYS B 33 156.982 19.521 2.637 1.00 1.56 H new ATOM 0 HZ2 LYS B 33 155.492 19.116 1.931 1.00 1.56 H new ATOM 0 HZ3 LYS B 33 155.691 19.008 3.614 1.00 1.56 H new ATOM 1904 N LEU B 34 151.526 13.282 4.663 1.00 0.32 N ATOM 1905 CA LEU B 34 150.230 12.562 4.493 1.00 0.31 C ATOM 1906 C LEU B 34 149.385 12.743 5.762 1.00 0.31 C ATOM 1907 O LEU B 34 148.184 12.914 5.708 1.00 0.32 O ATOM 1908 CB LEU B 34 150.495 11.071 4.241 1.00 0.28 C ATOM 1909 CG LEU B 34 151.135 10.870 2.856 1.00 0.29 C ATOM 1910 CD1 LEU B 34 151.731 9.461 2.774 1.00 0.29 C ATOM 1911 CD2 LEU B 34 150.083 11.035 1.739 1.00 0.33 C ATOM 0 H LEU B 34 152.360 12.697 4.602 1.00 0.32 H new ATOM 0 HA LEU B 34 149.690 12.970 3.639 1.00 0.31 H new ATOM 0 HB2 LEU B 34 151.153 10.676 5.014 1.00 0.28 H new ATOM 0 HB3 LEU B 34 149.561 10.513 4.302 1.00 0.28 H new ATOM 0 HG LEU B 34 151.914 11.620 2.721 1.00 0.29 H new ATOM 0 HD11 LEU B 34 152.185 9.315 1.794 1.00 0.29 H new ATOM 0 HD12 LEU B 34 152.490 9.341 3.547 1.00 0.29 H new ATOM 0 HD13 LEU B 34 150.942 8.723 2.922 1.00 0.29 H new ATOM 0 HD21 LEU B 34 150.557 10.889 0.768 1.00 0.33 H new ATOM 0 HD22 LEU B 34 149.292 10.296 1.872 1.00 0.33 H new ATOM 0 HD23 LEU B 34 149.655 12.037 1.787 1.00 0.33 H new ATOM 1923 N GLU B 35 150.016 12.695 6.899 1.00 0.31 N ATOM 1924 CA GLU B 35 149.243 12.852 8.170 1.00 0.34 C ATOM 1925 C GLU B 35 148.547 14.216 8.183 1.00 0.37 C ATOM 1926 O GLU B 35 147.415 14.341 8.607 1.00 0.39 O ATOM 1927 CB GLU B 35 150.183 12.755 9.375 1.00 0.35 C ATOM 1928 CG GLU B 35 150.723 11.331 9.489 1.00 0.92 C ATOM 1929 CD GLU B 35 151.662 11.235 10.692 1.00 1.02 C ATOM 1930 OE1 GLU B 35 151.965 12.268 11.266 1.00 1.68 O ATOM 1931 OE2 GLU B 35 152.065 10.131 11.017 1.00 1.35 O ATOM 0 H GLU B 35 151.020 12.556 7.009 1.00 0.31 H new ATOM 0 HA GLU B 35 148.499 12.057 8.230 1.00 0.34 H new ATOM 0 HB2 GLU B 35 151.007 13.460 9.264 1.00 0.35 H new ATOM 0 HB3 GLU B 35 149.651 13.027 10.287 1.00 0.35 H new ATOM 0 HG2 GLU B 35 149.899 10.626 9.601 1.00 0.92 H new ATOM 0 HG3 GLU B 35 151.254 11.058 8.577 1.00 0.92 H new ATOM 1938 N GLU B 36 149.212 15.236 7.716 1.00 0.39 N ATOM 1939 CA GLU B 36 148.590 16.592 7.693 1.00 0.44 C ATOM 1940 C GLU B 36 147.462 16.600 6.663 1.00 0.45 C ATOM 1941 O GLU B 36 146.594 17.450 6.673 1.00 0.49 O ATOM 1942 CB GLU B 36 149.640 17.636 7.307 1.00 0.46 C ATOM 1943 CG GLU B 36 150.651 17.792 8.444 1.00 1.11 C ATOM 1944 CD GLU B 36 151.699 18.835 8.055 1.00 1.38 C ATOM 1945 OE1 GLU B 36 151.661 19.292 6.925 1.00 1.85 O ATOM 1946 OE2 GLU B 36 152.524 19.158 8.893 1.00 1.99 O ATOM 0 H GLU B 36 150.162 15.190 7.348 1.00 0.39 H new ATOM 0 HA GLU B 36 148.195 16.832 8.680 1.00 0.44 H new ATOM 0 HB2 GLU B 36 150.150 17.333 6.393 1.00 0.46 H new ATOM 0 HB3 GLU B 36 149.158 18.592 7.101 1.00 0.46 H new ATOM 0 HG2 GLU B 36 150.142 18.096 9.358 1.00 1.11 H new ATOM 0 HG3 GLU B 36 151.133 16.836 8.650 1.00 1.11 H new ATOM 1953 N ARG B 37 147.490 15.662 5.760 1.00 0.42 N ATOM 1954 CA ARG B 37 146.442 15.607 4.701 1.00 0.45 C ATOM 1955 C ARG B 37 145.271 14.746 5.184 1.00 0.42 C ATOM 1956 O ARG B 37 144.295 14.566 4.482 1.00 0.43 O ATOM 1957 CB ARG B 37 147.047 14.997 3.429 1.00 0.45 C ATOM 1958 CG ARG B 37 148.172 15.895 2.890 1.00 0.52 C ATOM 1959 CD ARG B 37 147.588 17.075 2.105 1.00 0.86 C ATOM 1960 NE ARG B 37 148.698 17.843 1.473 1.00 1.42 N ATOM 1961 CZ ARG B 37 148.438 18.703 0.528 1.00 1.87 C ATOM 1962 NH1 ARG B 37 147.208 18.883 0.130 1.00 2.15 N ATOM 1963 NH2 ARG B 37 149.408 19.383 -0.019 1.00 2.68 N ATOM 0 H ARG B 37 148.196 14.927 5.708 1.00 0.42 H new ATOM 0 HA ARG B 37 146.080 16.612 4.486 1.00 0.45 H new ATOM 0 HB2 ARG B 37 147.438 14.003 3.645 1.00 0.45 H new ATOM 0 HB3 ARG B 37 146.273 14.878 2.671 1.00 0.45 H new ATOM 0 HG2 ARG B 37 148.778 16.265 3.717 1.00 0.52 H new ATOM 0 HG3 ARG B 37 148.832 15.314 2.246 1.00 0.52 H new ATOM 0 HD2 ARG B 37 146.899 16.714 1.341 1.00 0.86 H new ATOM 0 HD3 ARG B 37 147.015 17.722 2.770 1.00 0.86 H new ATOM 0 HE ARG B 37 149.660 17.696 1.779 1.00 1.42 H new ATOM 0 HH11 ARG B 37 146.450 18.351 0.558 1.00 2.15 H new ATOM 0 HH12 ARG B 37 147.004 19.556 -0.609 1.00 2.15 H new ATOM 0 HH21 ARG B 37 150.369 19.242 0.293 1.00 2.68 H new ATOM 0 HH22 ARG B 37 149.205 20.056 -0.758 1.00 2.68 H new ATOM 1977 N GLY B 38 145.342 14.242 6.390 1.00 0.41 N ATOM 1978 CA GLY B 38 144.214 13.425 6.939 1.00 0.39 C ATOM 1979 C GLY B 38 144.515 11.930 6.829 1.00 0.37 C ATOM 1980 O GLY B 38 143.636 11.138 6.553 1.00 0.49 O ATOM 0 H GLY B 38 146.135 14.361 7.021 1.00 0.41 H new ATOM 0 HA2 GLY B 38 144.043 13.689 7.983 1.00 0.39 H new ATOM 0 HA3 GLY B 38 143.296 13.656 6.398 1.00 0.39 H new ATOM 1984 N PHE B 39 145.738 11.529 7.062 1.00 0.31 N ATOM 1985 CA PHE B 39 146.103 10.079 6.997 1.00 0.28 C ATOM 1986 C PHE B 39 146.915 9.731 8.246 1.00 0.28 C ATOM 1987 O PHE B 39 148.113 9.548 8.184 1.00 0.28 O ATOM 1988 CB PHE B 39 146.972 9.833 5.762 1.00 0.27 C ATOM 1989 CG PHE B 39 146.146 9.976 4.506 1.00 0.28 C ATOM 1990 CD1 PHE B 39 145.971 11.237 3.928 1.00 0.31 C ATOM 1991 CD2 PHE B 39 145.571 8.849 3.909 1.00 0.27 C ATOM 1992 CE1 PHE B 39 145.219 11.374 2.756 1.00 0.33 C ATOM 1993 CE2 PHE B 39 144.817 8.985 2.737 1.00 0.30 C ATOM 1994 CZ PHE B 39 144.641 10.248 2.160 1.00 0.32 C ATOM 0 H PHE B 39 146.511 12.152 7.298 1.00 0.31 H new ATOM 0 HA PHE B 39 145.202 9.467 6.942 1.00 0.28 H new ATOM 0 HB2 PHE B 39 147.800 10.542 5.744 1.00 0.27 H new ATOM 0 HB3 PHE B 39 147.408 8.835 5.808 1.00 0.27 H new ATOM 0 HD1 PHE B 39 146.417 12.107 4.387 1.00 0.31 H new ATOM 0 HD2 PHE B 39 145.709 7.874 4.352 1.00 0.27 H new ATOM 0 HE1 PHE B 39 145.085 12.349 2.311 1.00 0.33 H new ATOM 0 HE2 PHE B 39 144.371 8.115 2.278 1.00 0.30 H new ATOM 0 HZ PHE B 39 144.060 10.353 1.256 1.00 0.32 H new ATOM 2004 N ASP B 40 146.284 9.674 9.390 1.00 0.30 N ATOM 2005 CA ASP B 40 147.045 9.380 10.637 1.00 0.31 C ATOM 2006 C ASP B 40 147.405 7.892 10.705 1.00 0.29 C ATOM 2007 O ASP B 40 148.211 7.488 11.518 1.00 0.30 O ATOM 2008 CB ASP B 40 146.185 9.750 11.850 1.00 0.35 C ATOM 2009 CG ASP B 40 144.911 8.903 11.855 1.00 0.37 C ATOM 2010 OD1 ASP B 40 144.565 8.382 10.807 1.00 0.36 O ATOM 2011 OD2 ASP B 40 144.305 8.789 12.908 1.00 0.41 O ATOM 0 H ASP B 40 145.282 9.817 9.513 1.00 0.30 H new ATOM 0 HA ASP B 40 147.965 9.965 10.638 1.00 0.31 H new ATOM 0 HB2 ASP B 40 146.746 9.586 12.770 1.00 0.35 H new ATOM 0 HB3 ASP B 40 145.929 10.809 11.817 1.00 0.35 H new ATOM 2016 N LYS B 41 146.823 7.073 9.861 1.00 0.28 N ATOM 2017 CA LYS B 41 147.141 5.605 9.886 1.00 0.28 C ATOM 2018 C LYS B 41 147.368 5.108 8.451 1.00 0.23 C ATOM 2019 O LYS B 41 146.915 5.705 7.495 1.00 0.23 O ATOM 2020 CB LYS B 41 145.972 4.840 10.516 1.00 0.33 C ATOM 2021 CG LYS B 41 145.724 5.334 11.951 1.00 0.47 C ATOM 2022 CD LYS B 41 146.866 4.900 12.881 1.00 0.74 C ATOM 2023 CE LYS B 41 146.402 5.004 14.338 1.00 0.71 C ATOM 2024 NZ LYS B 41 145.796 6.346 14.572 1.00 1.56 N ATOM 0 H LYS B 41 146.142 7.355 9.156 1.00 0.28 H new ATOM 0 HA LYS B 41 148.043 5.437 10.475 1.00 0.28 H new ATOM 0 HB2 LYS B 41 145.073 4.978 9.916 1.00 0.33 H new ATOM 0 HB3 LYS B 41 146.189 3.772 10.524 1.00 0.33 H new ATOM 0 HG2 LYS B 41 145.637 6.421 11.957 1.00 0.47 H new ATOM 0 HG3 LYS B 41 144.778 4.937 12.319 1.00 0.47 H new ATOM 0 HD2 LYS B 41 147.165 3.876 12.655 1.00 0.74 H new ATOM 0 HD3 LYS B 41 147.741 5.530 12.720 1.00 0.74 H new ATOM 0 HE2 LYS B 41 145.675 4.222 14.556 1.00 0.71 H new ATOM 0 HE3 LYS B 41 147.246 4.852 15.011 1.00 0.71 H new ATOM 0 HZ1 LYS B 41 145.777 6.545 15.593 1.00 1.56 H new ATOM 0 HZ2 LYS B 41 146.363 7.072 14.088 1.00 1.56 H new ATOM 0 HZ3 LYS B 41 144.826 6.359 14.198 1.00 1.56 H new ATOM 2038 N ALA B 42 148.087 4.026 8.301 1.00 0.21 N ATOM 2039 CA ALA B 42 148.378 3.485 6.935 1.00 0.20 C ATOM 2040 C ALA B 42 147.100 2.999 6.235 1.00 0.18 C ATOM 2041 O ALA B 42 146.940 3.171 5.043 1.00 0.18 O ATOM 2042 CB ALA B 42 149.352 2.309 7.061 1.00 0.21 C ATOM 0 H ALA B 42 148.489 3.489 9.070 1.00 0.21 H new ATOM 0 HA ALA B 42 148.811 4.287 6.337 1.00 0.20 H new ATOM 0 HB1 ALA B 42 149.569 1.909 6.071 1.00 0.21 H new ATOM 0 HB2 ALA B 42 150.277 2.651 7.525 1.00 0.21 H new ATOM 0 HB3 ALA B 42 148.903 1.529 7.677 1.00 0.21 H new ATOM 2048 N TYR B 43 146.212 2.359 6.942 1.00 0.18 N ATOM 2049 CA TYR B 43 144.983 1.828 6.279 1.00 0.18 C ATOM 2050 C TYR B 43 144.197 2.962 5.607 1.00 0.17 C ATOM 2051 O TYR B 43 143.372 2.724 4.747 1.00 0.17 O ATOM 2052 CB TYR B 43 144.107 1.074 7.291 1.00 0.20 C ATOM 2053 CG TYR B 43 143.264 2.023 8.109 1.00 0.21 C ATOM 2054 CD1 TYR B 43 142.000 2.400 7.644 1.00 0.21 C ATOM 2055 CD2 TYR B 43 143.730 2.501 9.337 1.00 0.24 C ATOM 2056 CE1 TYR B 43 141.203 3.257 8.405 1.00 0.25 C ATOM 2057 CE2 TYR B 43 142.932 3.362 10.098 1.00 0.28 C ATOM 2058 CZ TYR B 43 141.670 3.740 9.635 1.00 0.27 C ATOM 2059 OH TYR B 43 140.885 4.584 10.395 1.00 0.32 O ATOM 0 H TYR B 43 146.280 2.180 7.944 1.00 0.18 H new ATOM 0 HA TYR B 43 145.286 1.124 5.504 1.00 0.18 H new ATOM 0 HB2 TYR B 43 143.460 0.374 6.763 1.00 0.20 H new ATOM 0 HB3 TYR B 43 144.740 0.485 7.954 1.00 0.20 H new ATOM 0 HD1 TYR B 43 141.640 2.028 6.696 1.00 0.21 H new ATOM 0 HD2 TYR B 43 144.704 2.206 9.698 1.00 0.24 H new ATOM 0 HE1 TYR B 43 140.227 3.548 8.046 1.00 0.25 H new ATOM 0 HE2 TYR B 43 143.293 3.735 11.045 1.00 0.28 H new ATOM 0 HH TYR B 43 141.362 4.822 11.218 1.00 0.32 H new ATOM 2069 N VAL B 44 144.456 4.189 5.964 1.00 0.18 N ATOM 2070 CA VAL B 44 143.730 5.314 5.308 1.00 0.18 C ATOM 2071 C VAL B 44 144.393 5.576 3.949 1.00 0.17 C ATOM 2072 O VAL B 44 143.760 5.958 2.981 1.00 0.17 O ATOM 2073 CB VAL B 44 143.816 6.563 6.191 1.00 0.20 C ATOM 2074 CG1 VAL B 44 142.986 7.695 5.577 1.00 0.21 C ATOM 2075 CG2 VAL B 44 143.267 6.232 7.580 1.00 0.24 C ATOM 0 H VAL B 44 145.134 4.461 6.676 1.00 0.18 H new ATOM 0 HA VAL B 44 142.678 5.064 5.167 1.00 0.18 H new ATOM 0 HB VAL B 44 144.856 6.881 6.266 1.00 0.20 H new ATOM 0 HG11 VAL B 44 143.052 8.580 6.211 1.00 0.21 H new ATOM 0 HG12 VAL B 44 143.370 7.930 4.584 1.00 0.21 H new ATOM 0 HG13 VAL B 44 141.945 7.382 5.499 1.00 0.21 H new ATOM 0 HG21 VAL B 44 143.325 7.116 8.214 1.00 0.24 H new ATOM 0 HG22 VAL B 44 142.228 5.914 7.494 1.00 0.24 H new ATOM 0 HG23 VAL B 44 143.857 5.429 8.022 1.00 0.24 H new ATOM 2085 N VAL B 45 145.675 5.340 3.888 1.00 0.17 N ATOM 2086 CA VAL B 45 146.427 5.535 2.618 1.00 0.17 C ATOM 2087 C VAL B 45 146.099 4.364 1.696 1.00 0.15 C ATOM 2088 O VAL B 45 145.916 4.525 0.506 1.00 0.15 O ATOM 2089 CB VAL B 45 147.931 5.564 2.900 1.00 0.18 C ATOM 2090 CG1 VAL B 45 148.705 5.536 1.580 1.00 0.22 C ATOM 2091 CG2 VAL B 45 148.285 6.839 3.668 1.00 0.20 C ATOM 0 H VAL B 45 146.239 5.017 4.674 1.00 0.17 H new ATOM 0 HA VAL B 45 146.145 6.479 2.153 1.00 0.17 H new ATOM 0 HB VAL B 45 148.200 4.692 3.497 1.00 0.18 H new ATOM 0 HG11 VAL B 45 149.775 5.557 1.785 1.00 0.22 H new ATOM 0 HG12 VAL B 45 148.458 4.626 1.033 1.00 0.22 H new ATOM 0 HG13 VAL B 45 148.434 6.405 0.981 1.00 0.22 H new ATOM 0 HG21 VAL B 45 149.356 6.858 3.868 1.00 0.20 H new ATOM 0 HG22 VAL B 45 148.012 7.710 3.073 1.00 0.20 H new ATOM 0 HG23 VAL B 45 147.740 6.859 4.611 1.00 0.20 H new ATOM 2101 N LEU B 46 145.985 3.189 2.249 1.00 0.17 N ATOM 2102 CA LEU B 46 145.627 2.009 1.419 1.00 0.17 C ATOM 2103 C LEU B 46 144.270 2.296 0.785 1.00 0.17 C ATOM 2104 O LEU B 46 144.016 1.972 -0.358 1.00 0.17 O ATOM 2105 CB LEU B 46 145.545 0.766 2.318 1.00 0.22 C ATOM 2106 CG LEU B 46 145.052 -0.458 1.527 1.00 0.25 C ATOM 2107 CD1 LEU B 46 146.051 -0.812 0.420 1.00 0.40 C ATOM 2108 CD2 LEU B 46 144.900 -1.651 2.478 1.00 0.35 C ATOM 0 H LEU B 46 146.125 2.996 3.241 1.00 0.17 H new ATOM 0 HA LEU B 46 146.373 1.825 0.646 1.00 0.17 H new ATOM 0 HB2 LEU B 46 146.526 0.556 2.744 1.00 0.22 H new ATOM 0 HB3 LEU B 46 144.870 0.960 3.152 1.00 0.22 H new ATOM 0 HG LEU B 46 144.090 -0.223 1.073 1.00 0.25 H new ATOM 0 HD11 LEU B 46 145.690 -1.680 -0.132 1.00 0.40 H new ATOM 0 HD12 LEU B 46 146.155 0.033 -0.260 1.00 0.40 H new ATOM 0 HD13 LEU B 46 147.020 -1.042 0.864 1.00 0.40 H new ATOM 0 HD21 LEU B 46 144.551 -2.519 1.919 1.00 0.35 H new ATOM 0 HD22 LEU B 46 145.863 -1.877 2.935 1.00 0.35 H new ATOM 0 HD23 LEU B 46 144.178 -1.406 3.257 1.00 0.35 H new ATOM 2120 N GLY B 47 143.398 2.911 1.533 1.00 0.17 N ATOM 2121 CA GLY B 47 142.048 3.241 1.009 1.00 0.18 C ATOM 2122 C GLY B 47 142.173 4.039 -0.291 1.00 0.17 C ATOM 2123 O GLY B 47 141.501 3.763 -1.263 1.00 0.18 O ATOM 0 H GLY B 47 143.567 3.202 2.496 1.00 0.17 H new ATOM 0 HA2 GLY B 47 141.484 2.325 0.831 1.00 0.18 H new ATOM 0 HA3 GLY B 47 141.493 3.819 1.748 1.00 0.18 H new ATOM 2127 N GLN B 48 143.030 5.025 -0.321 1.00 0.17 N ATOM 2128 CA GLN B 48 143.187 5.834 -1.566 1.00 0.18 C ATOM 2129 C GLN B 48 143.630 4.930 -2.723 1.00 0.17 C ATOM 2130 O GLN B 48 143.141 5.039 -3.827 1.00 0.18 O ATOM 2131 CB GLN B 48 144.246 6.913 -1.335 1.00 0.18 C ATOM 2132 CG GLN B 48 144.255 7.893 -2.511 1.00 0.22 C ATOM 2133 CD GLN B 48 142.990 8.753 -2.473 1.00 0.28 C ATOM 2134 OE1 GLN B 48 142.553 9.165 -1.417 1.00 0.97 O ATOM 2135 NE2 GLN B 48 142.384 9.052 -3.590 1.00 1.09 N ATOM 0 H GLN B 48 143.626 5.305 0.458 1.00 0.17 H new ATOM 0 HA GLN B 48 142.233 6.298 -1.817 1.00 0.18 H new ATOM 0 HB2 GLN B 48 144.038 7.446 -0.407 1.00 0.18 H new ATOM 0 HB3 GLN B 48 145.228 6.453 -1.225 1.00 0.18 H new ATOM 0 HG2 GLN B 48 145.140 8.528 -2.462 1.00 0.22 H new ATOM 0 HG3 GLN B 48 144.307 7.346 -3.453 1.00 0.22 H new ATOM 0 HE21 GLN B 48 142.750 8.707 -4.477 1.00 1.09 H new ATOM 0 HE22 GLN B 48 141.544 9.631 -3.576 1.00 1.09 H new ATOM 2144 N PHE B 49 144.548 4.036 -2.477 1.00 0.17 N ATOM 2145 CA PHE B 49 145.019 3.126 -3.565 1.00 0.17 C ATOM 2146 C PHE B 49 143.829 2.314 -4.077 1.00 0.18 C ATOM 2147 O PHE B 49 143.676 2.084 -5.259 1.00 0.19 O ATOM 2148 CB PHE B 49 146.088 2.190 -2.991 1.00 0.18 C ATOM 2149 CG PHE B 49 146.595 1.249 -4.061 1.00 0.20 C ATOM 2150 CD1 PHE B 49 147.367 1.745 -5.118 1.00 0.24 C ATOM 2151 CD2 PHE B 49 146.310 -0.122 -3.987 1.00 0.27 C ATOM 2152 CE1 PHE B 49 147.851 0.874 -6.101 1.00 0.27 C ATOM 2153 CE2 PHE B 49 146.793 -0.992 -4.971 1.00 0.31 C ATOM 2154 CZ PHE B 49 147.565 -0.496 -6.027 1.00 0.27 C ATOM 0 H PHE B 49 144.994 3.895 -1.570 1.00 0.17 H new ATOM 0 HA PHE B 49 145.444 3.698 -4.389 1.00 0.17 H new ATOM 0 HB2 PHE B 49 146.916 2.775 -2.591 1.00 0.18 H new ATOM 0 HB3 PHE B 49 145.672 1.618 -2.162 1.00 0.18 H new ATOM 0 HD1 PHE B 49 147.589 2.800 -5.175 1.00 0.24 H new ATOM 0 HD2 PHE B 49 145.717 -0.507 -3.170 1.00 0.27 H new ATOM 0 HE1 PHE B 49 148.445 1.258 -6.917 1.00 0.27 H new ATOM 0 HE2 PHE B 49 146.570 -2.047 -4.915 1.00 0.31 H new ATOM 0 HZ PHE B 49 147.940 -1.168 -6.784 1.00 0.27 H new ATOM 2164 N LEU B 50 142.990 1.889 -3.189 1.00 0.18 N ATOM 2165 CA LEU B 50 141.805 1.096 -3.616 1.00 0.20 C ATOM 2166 C LEU B 50 140.834 2.025 -4.366 1.00 0.21 C ATOM 2167 O LEU B 50 140.212 1.637 -5.335 1.00 0.23 O ATOM 2168 CB LEU B 50 141.133 0.484 -2.377 1.00 0.22 C ATOM 2169 CG LEU B 50 142.060 -0.568 -1.728 1.00 0.23 C ATOM 2170 CD1 LEU B 50 141.656 -0.782 -0.263 1.00 0.27 C ATOM 2171 CD2 LEU B 50 141.941 -1.911 -2.461 1.00 0.27 C ATOM 0 H LEU B 50 143.068 2.053 -2.185 1.00 0.18 H new ATOM 0 HA LEU B 50 142.104 0.286 -4.281 1.00 0.20 H new ATOM 0 HB2 LEU B 50 140.901 1.268 -1.656 1.00 0.22 H new ATOM 0 HB3 LEU B 50 140.188 0.021 -2.659 1.00 0.22 H new ATOM 0 HG LEU B 50 143.086 -0.204 -1.790 1.00 0.23 H new ATOM 0 HD11 LEU B 50 142.312 -1.525 0.191 1.00 0.27 H new ATOM 0 HD12 LEU B 50 141.743 0.159 0.280 1.00 0.27 H new ATOM 0 HD13 LEU B 50 140.625 -1.133 -0.217 1.00 0.27 H new ATOM 0 HD21 LEU B 50 142.600 -2.641 -1.992 1.00 0.27 H new ATOM 0 HD22 LEU B 50 140.911 -2.265 -2.408 1.00 0.27 H new ATOM 0 HD23 LEU B 50 142.227 -1.782 -3.505 1.00 0.27 H new ATOM 2183 N VAL B 51 140.692 3.245 -3.916 1.00 0.21 N ATOM 2184 CA VAL B 51 139.753 4.204 -4.588 1.00 0.23 C ATOM 2185 C VAL B 51 140.251 4.553 -6.002 1.00 0.23 C ATOM 2186 O VAL B 51 139.489 4.973 -6.850 1.00 0.25 O ATOM 2187 CB VAL B 51 139.647 5.484 -3.745 1.00 0.25 C ATOM 2188 CG1 VAL B 51 138.945 6.589 -4.544 1.00 0.28 C ATOM 2189 CG2 VAL B 51 138.837 5.191 -2.480 1.00 0.27 C ATOM 0 H VAL B 51 141.187 3.624 -3.108 1.00 0.21 H new ATOM 0 HA VAL B 51 138.773 3.735 -4.675 1.00 0.23 H new ATOM 0 HB VAL B 51 140.650 5.816 -3.479 1.00 0.25 H new ATOM 0 HG11 VAL B 51 138.876 7.491 -3.935 1.00 0.28 H new ATOM 0 HG12 VAL B 51 139.516 6.804 -5.447 1.00 0.28 H new ATOM 0 HG13 VAL B 51 137.943 6.259 -4.818 1.00 0.28 H new ATOM 0 HG21 VAL B 51 138.760 6.097 -1.879 1.00 0.27 H new ATOM 0 HG22 VAL B 51 137.838 4.853 -2.757 1.00 0.27 H new ATOM 0 HG23 VAL B 51 139.335 4.413 -1.901 1.00 0.27 H new ATOM 2199 N LEU B 52 141.521 4.393 -6.259 1.00 0.22 N ATOM 2200 CA LEU B 52 142.059 4.732 -7.619 1.00 0.23 C ATOM 2201 C LEU B 52 142.007 3.497 -8.517 1.00 0.23 C ATOM 2202 O LEU B 52 142.669 3.433 -9.533 1.00 0.24 O ATOM 2203 CB LEU B 52 143.506 5.214 -7.502 1.00 0.24 C ATOM 2204 CG LEU B 52 143.563 6.524 -6.703 1.00 0.25 C ATOM 2205 CD1 LEU B 52 145.028 6.910 -6.496 1.00 0.30 C ATOM 2206 CD2 LEU B 52 142.837 7.652 -7.465 1.00 0.27 C ATOM 0 H LEU B 52 142.211 4.044 -5.593 1.00 0.22 H new ATOM 0 HA LEU B 52 141.449 5.524 -8.054 1.00 0.23 H new ATOM 0 HB2 LEU B 52 144.112 4.453 -7.011 1.00 0.24 H new ATOM 0 HB3 LEU B 52 143.928 5.366 -8.495 1.00 0.24 H new ATOM 0 HG LEU B 52 143.070 6.381 -5.741 1.00 0.25 H new ATOM 0 HD11 LEU B 52 145.083 7.840 -5.929 1.00 0.30 H new ATOM 0 HD12 LEU B 52 145.538 6.119 -5.946 1.00 0.30 H new ATOM 0 HD13 LEU B 52 145.509 7.047 -7.465 1.00 0.30 H new ATOM 0 HD21 LEU B 52 142.887 8.573 -6.885 1.00 0.27 H new ATOM 0 HD22 LEU B 52 143.317 7.805 -8.432 1.00 0.27 H new ATOM 0 HD23 LEU B 52 141.794 7.375 -7.618 1.00 0.27 H new ATOM 2218 N LYS B 53 141.232 2.513 -8.157 1.00 0.23 N ATOM 2219 CA LYS B 53 141.146 1.288 -8.995 1.00 0.24 C ATOM 2220 C LYS B 53 142.552 0.758 -9.269 1.00 0.24 C ATOM 2221 O LYS B 53 142.803 0.148 -10.288 1.00 0.30 O ATOM 2222 CB LYS B 53 140.453 1.610 -10.321 1.00 0.29 C ATOM 2223 CG LYS B 53 138.985 1.944 -10.057 1.00 0.39 C ATOM 2224 CD LYS B 53 138.289 2.267 -11.380 1.00 0.48 C ATOM 2225 CE LYS B 53 136.820 2.601 -11.117 1.00 0.92 C ATOM 2226 NZ LYS B 53 136.065 2.581 -12.402 1.00 1.71 N ATOM 0 H LYS B 53 140.654 2.505 -7.317 1.00 0.23 H new ATOM 0 HA LYS B 53 140.568 0.532 -8.464 1.00 0.24 H new ATOM 0 HB2 LYS B 53 140.947 2.451 -10.808 1.00 0.29 H new ATOM 0 HB3 LYS B 53 140.528 0.760 -10.999 1.00 0.29 H new ATOM 0 HG2 LYS B 53 138.492 1.103 -9.570 1.00 0.39 H new ATOM 0 HG3 LYS B 53 138.911 2.793 -9.378 1.00 0.39 H new ATOM 0 HD2 LYS B 53 138.783 3.108 -11.867 1.00 0.48 H new ATOM 0 HD3 LYS B 53 138.364 1.418 -12.059 1.00 0.48 H new ATOM 0 HE2 LYS B 53 136.392 1.880 -10.421 1.00 0.92 H new ATOM 0 HE3 LYS B 53 136.738 3.583 -10.650 1.00 0.92 H new ATOM 0 HZ1 LYS B 53 135.066 2.808 -12.221 1.00 1.71 H new ATOM 0 HZ2 LYS B 53 136.468 3.285 -13.053 1.00 1.71 H new ATOM 0 HZ3 LYS B 53 136.133 1.636 -12.830 1.00 1.71 H new ATOM 2240 N LYS B 54 143.467 0.988 -8.358 1.00 0.23 N ATOM 2241 CA LYS B 54 144.871 0.505 -8.518 1.00 0.26 C ATOM 2242 C LYS B 54 145.491 1.108 -9.781 1.00 0.28 C ATOM 2243 O LYS B 54 146.478 0.613 -10.288 1.00 0.34 O ATOM 2244 CB LYS B 54 144.871 -1.025 -8.616 1.00 0.36 C ATOM 2245 CG LYS B 54 144.179 -1.600 -7.379 1.00 0.67 C ATOM 2246 CD LYS B 54 144.165 -3.130 -7.454 1.00 0.83 C ATOM 2247 CE LYS B 54 143.463 -3.700 -6.218 1.00 1.41 C ATOM 2248 NZ LYS B 54 143.003 -5.087 -6.509 1.00 2.25 N ATOM 0 H LYS B 54 143.294 1.501 -7.494 1.00 0.23 H new ATOM 0 HA LYS B 54 145.461 0.815 -7.656 1.00 0.26 H new ATOM 0 HB2 LYS B 54 144.354 -1.345 -9.520 1.00 0.36 H new ATOM 0 HB3 LYS B 54 145.893 -1.398 -8.684 1.00 0.36 H new ATOM 0 HG2 LYS B 54 144.699 -1.276 -6.477 1.00 0.67 H new ATOM 0 HG3 LYS B 54 143.159 -1.221 -7.313 1.00 0.67 H new ATOM 0 HD2 LYS B 54 143.651 -3.455 -8.359 1.00 0.83 H new ATOM 0 HD3 LYS B 54 145.185 -3.510 -7.513 1.00 0.83 H new ATOM 0 HE2 LYS B 54 144.144 -3.701 -5.367 1.00 1.41 H new ATOM 0 HE3 LYS B 54 142.614 -3.073 -5.946 1.00 1.41 H new ATOM 0 HZ1 LYS B 54 141.982 -5.160 -6.323 1.00 2.25 H new ATOM 0 HZ2 LYS B 54 143.190 -5.313 -7.507 1.00 2.25 H new ATOM 0 HZ3 LYS B 54 143.515 -5.757 -5.901 1.00 2.25 H new ATOM 2262 N ASP B 55 144.950 2.186 -10.282 1.00 0.30 N ATOM 2263 CA ASP B 55 145.558 2.810 -11.491 1.00 0.39 C ATOM 2264 C ASP B 55 146.913 3.404 -11.085 1.00 0.38 C ATOM 2265 O ASP B 55 146.991 4.306 -10.274 1.00 0.37 O ATOM 2266 CB ASP B 55 144.635 3.909 -12.017 1.00 0.47 C ATOM 2267 CG ASP B 55 145.222 4.506 -13.297 1.00 1.18 C ATOM 2268 OD1 ASP B 55 146.434 4.626 -13.371 1.00 1.80 O ATOM 2269 OD2 ASP B 55 144.450 4.828 -14.185 1.00 1.54 O ATOM 0 H ASP B 55 144.124 2.656 -9.912 1.00 0.30 H new ATOM 0 HA ASP B 55 145.697 2.070 -12.279 1.00 0.39 H new ATOM 0 HB2 ASP B 55 143.644 3.501 -12.216 1.00 0.47 H new ATOM 0 HB3 ASP B 55 144.514 4.687 -11.263 1.00 0.47 H new ATOM 2274 N GLU B 56 147.980 2.871 -11.613 1.00 0.39 N ATOM 2275 CA GLU B 56 149.346 3.349 -11.238 1.00 0.38 C ATOM 2276 C GLU B 56 149.570 4.834 -11.572 1.00 0.38 C ATOM 2277 O GLU B 56 150.191 5.548 -10.817 1.00 0.38 O ATOM 2278 CB GLU B 56 150.385 2.509 -11.982 1.00 0.40 C ATOM 2279 CG GLU B 56 151.790 2.871 -11.489 1.00 0.41 C ATOM 2280 CD GLU B 56 152.823 1.998 -12.202 1.00 0.63 C ATOM 2281 OE1 GLU B 56 152.420 1.179 -13.011 1.00 0.88 O ATOM 2282 OE2 GLU B 56 154.000 2.163 -11.927 1.00 0.85 O ATOM 0 H GLU B 56 147.966 2.115 -12.297 1.00 0.39 H new ATOM 0 HA GLU B 56 149.446 3.240 -10.158 1.00 0.38 H new ATOM 0 HB2 GLU B 56 150.194 1.448 -11.819 1.00 0.40 H new ATOM 0 HB3 GLU B 56 150.309 2.685 -13.055 1.00 0.40 H new ATOM 0 HG2 GLU B 56 151.994 3.924 -11.681 1.00 0.41 H new ATOM 0 HG3 GLU B 56 151.857 2.725 -10.411 1.00 0.41 H new ATOM 2289 N ASP B 57 149.097 5.306 -12.690 1.00 0.40 N ATOM 2290 CA ASP B 57 149.328 6.742 -13.050 1.00 0.42 C ATOM 2291 C ASP B 57 148.564 7.666 -12.099 1.00 0.41 C ATOM 2292 O ASP B 57 149.058 8.701 -11.697 1.00 0.41 O ATOM 2293 CB ASP B 57 148.856 6.990 -14.484 1.00 0.45 C ATOM 2294 CG ASP B 57 149.801 6.286 -15.460 1.00 0.47 C ATOM 2295 OD1 ASP B 57 150.908 5.968 -15.058 1.00 0.65 O ATOM 2296 OD2 ASP B 57 149.403 6.082 -16.595 1.00 0.74 O ATOM 0 H ASP B 57 148.562 4.767 -13.371 1.00 0.40 H new ATOM 0 HA ASP B 57 150.394 6.955 -12.966 1.00 0.42 H new ATOM 0 HB2 ASP B 57 147.839 6.618 -14.613 1.00 0.45 H new ATOM 0 HB3 ASP B 57 148.833 8.060 -14.691 1.00 0.45 H new ATOM 2301 N LEU B 58 147.375 7.309 -11.735 1.00 0.40 N ATOM 2302 CA LEU B 58 146.608 8.188 -10.807 1.00 0.40 C ATOM 2303 C LEU B 58 147.247 8.145 -9.415 1.00 0.38 C ATOM 2304 O LEU B 58 147.355 9.152 -8.743 1.00 0.38 O ATOM 2305 CB LEU B 58 145.146 7.734 -10.721 1.00 0.41 C ATOM 2306 CG LEU B 58 144.485 7.797 -12.108 1.00 0.47 C ATOM 2307 CD1 LEU B 58 143.029 7.335 -11.993 1.00 0.45 C ATOM 2308 CD2 LEU B 58 144.521 9.238 -12.652 1.00 0.55 C ATOM 0 H LEU B 58 146.898 6.457 -12.032 1.00 0.40 H new ATOM 0 HA LEU B 58 146.633 9.209 -11.189 1.00 0.40 H new ATOM 0 HB2 LEU B 58 145.096 6.717 -10.333 1.00 0.41 H new ATOM 0 HB3 LEU B 58 144.601 8.369 -10.022 1.00 0.41 H new ATOM 0 HG LEU B 58 145.030 7.147 -12.792 1.00 0.47 H new ATOM 0 HD11 LEU B 58 142.555 7.378 -12.974 1.00 0.45 H new ATOM 0 HD12 LEU B 58 143.001 6.311 -11.620 1.00 0.45 H new ATOM 0 HD13 LEU B 58 142.494 7.987 -11.303 1.00 0.45 H new ATOM 0 HD21 LEU B 58 144.050 9.268 -13.634 1.00 0.55 H new ATOM 0 HD22 LEU B 58 143.983 9.897 -11.971 1.00 0.55 H new ATOM 0 HD23 LEU B 58 145.556 9.570 -12.736 1.00 0.55 H new ATOM 2320 N PHE B 59 147.695 6.998 -8.988 1.00 0.37 N ATOM 2321 CA PHE B 59 148.355 6.912 -7.652 1.00 0.35 C ATOM 2322 C PHE B 59 149.647 7.732 -7.658 1.00 0.36 C ATOM 2323 O PHE B 59 149.947 8.441 -6.718 1.00 0.35 O ATOM 2324 CB PHE B 59 148.667 5.452 -7.324 1.00 0.35 C ATOM 2325 CG PHE B 59 149.371 5.380 -5.990 1.00 0.34 C ATOM 2326 CD1 PHE B 59 148.627 5.281 -4.809 1.00 0.35 C ATOM 2327 CD2 PHE B 59 150.770 5.408 -5.937 1.00 0.37 C ATOM 2328 CE1 PHE B 59 149.283 5.212 -3.574 1.00 0.37 C ATOM 2329 CE2 PHE B 59 151.425 5.339 -4.702 1.00 0.38 C ATOM 2330 CZ PHE B 59 150.682 5.241 -3.520 1.00 0.37 C ATOM 0 H PHE B 59 147.634 6.119 -9.502 1.00 0.37 H new ATOM 0 HA PHE B 59 147.683 7.313 -6.893 1.00 0.35 H new ATOM 0 HB2 PHE B 59 147.746 4.869 -7.294 1.00 0.35 H new ATOM 0 HB3 PHE B 59 149.294 5.018 -8.103 1.00 0.35 H new ATOM 0 HD1 PHE B 59 147.548 5.258 -4.850 1.00 0.35 H new ATOM 0 HD2 PHE B 59 151.344 5.483 -6.849 1.00 0.37 H new ATOM 0 HE1 PHE B 59 148.709 5.136 -2.662 1.00 0.37 H new ATOM 0 HE2 PHE B 59 152.504 5.361 -4.661 1.00 0.38 H new ATOM 0 HZ PHE B 59 151.187 5.188 -2.567 1.00 0.37 H new ATOM 2340 N ARG B 60 150.428 7.624 -8.703 1.00 0.38 N ATOM 2341 CA ARG B 60 151.713 8.380 -8.752 1.00 0.39 C ATOM 2342 C ARG B 60 151.466 9.883 -8.658 1.00 0.40 C ATOM 2343 O ARG B 60 152.084 10.569 -7.869 1.00 0.39 O ATOM 2344 CB ARG B 60 152.437 8.085 -10.070 1.00 0.43 C ATOM 2345 CG ARG B 60 152.990 6.660 -10.058 1.00 0.44 C ATOM 2346 CD ARG B 60 153.561 6.323 -11.436 1.00 0.51 C ATOM 2347 NE ARG B 60 154.726 7.208 -11.721 1.00 1.31 N ATOM 2348 CZ ARG B 60 155.559 6.903 -12.677 1.00 1.54 C ATOM 2349 NH1 ARG B 60 155.377 5.818 -13.379 1.00 1.15 N ATOM 2350 NH2 ARG B 60 156.576 7.681 -12.930 1.00 2.64 N ATOM 0 H ARG B 60 150.231 7.047 -9.521 1.00 0.38 H new ATOM 0 HA ARG B 60 152.322 8.064 -7.905 1.00 0.39 H new ATOM 0 HB2 ARG B 60 151.750 8.210 -10.907 1.00 0.43 H new ATOM 0 HB3 ARG B 60 153.249 8.797 -10.215 1.00 0.43 H new ATOM 0 HG2 ARG B 60 153.766 6.566 -9.298 1.00 0.44 H new ATOM 0 HG3 ARG B 60 152.201 5.955 -9.797 1.00 0.44 H new ATOM 0 HD2 ARG B 60 153.868 5.278 -11.468 1.00 0.51 H new ATOM 0 HD3 ARG B 60 152.795 6.454 -12.201 1.00 0.51 H new ATOM 0 HE ARG B 60 154.872 8.053 -11.168 1.00 1.31 H new ATOM 0 HH11 ARG B 60 154.583 5.209 -13.180 1.00 1.15 H new ATOM 0 HH12 ARG B 60 156.028 5.579 -14.127 1.00 1.15 H new ATOM 0 HH21 ARG B 60 156.720 8.528 -12.380 1.00 2.64 H new ATOM 0 HH22 ARG B 60 157.227 7.442 -13.678 1.00 2.64 H new ATOM 2364 N GLU B 61 150.580 10.414 -9.452 1.00 0.42 N ATOM 2365 CA GLU B 61 150.325 11.876 -9.389 1.00 0.44 C ATOM 2366 C GLU B 61 149.710 12.223 -8.033 1.00 0.42 C ATOM 2367 O GLU B 61 150.017 13.241 -7.447 1.00 0.43 O ATOM 2368 CB GLU B 61 149.363 12.274 -10.510 1.00 0.48 C ATOM 2369 CG GLU B 61 150.055 12.089 -11.862 1.00 1.30 C ATOM 2370 CD GLU B 61 151.176 13.118 -12.014 1.00 1.77 C ATOM 2371 OE1 GLU B 61 151.104 14.145 -11.359 1.00 2.33 O ATOM 2372 OE2 GLU B 61 152.089 12.862 -12.781 1.00 2.38 O ATOM 0 H GLU B 61 150.025 9.901 -10.137 1.00 0.42 H new ATOM 0 HA GLU B 61 151.263 12.418 -9.511 1.00 0.44 H new ATOM 0 HB2 GLU B 61 148.461 11.664 -10.464 1.00 0.48 H new ATOM 0 HB3 GLU B 61 149.053 13.312 -10.387 1.00 0.48 H new ATOM 0 HG2 GLU B 61 150.462 11.081 -11.938 1.00 1.30 H new ATOM 0 HG3 GLU B 61 149.332 12.203 -12.670 1.00 1.30 H new ATOM 2379 N TRP B 62 148.843 11.394 -7.528 1.00 0.40 N ATOM 2380 CA TRP B 62 148.215 11.700 -6.212 1.00 0.39 C ATOM 2381 C TRP B 62 149.261 11.709 -5.094 1.00 0.36 C ATOM 2382 O TRP B 62 149.322 12.623 -4.300 1.00 0.36 O ATOM 2383 CB TRP B 62 147.144 10.650 -5.883 1.00 0.38 C ATOM 2384 CG TRP B 62 146.666 10.866 -4.478 1.00 0.36 C ATOM 2385 CD1 TRP B 62 145.704 11.740 -4.109 1.00 0.39 C ATOM 2386 CD2 TRP B 62 147.135 10.230 -3.253 1.00 0.34 C ATOM 2387 NE1 TRP B 62 145.549 11.681 -2.734 1.00 0.37 N ATOM 2388 CE2 TRP B 62 146.409 10.763 -2.161 1.00 0.34 C ATOM 2389 CE3 TRP B 62 148.109 9.250 -2.985 1.00 0.32 C ATOM 2390 CZ2 TRP B 62 146.643 10.339 -0.850 1.00 0.34 C ATOM 2391 CZ3 TRP B 62 148.344 8.821 -1.668 1.00 0.31 C ATOM 2392 CH2 TRP B 62 147.612 9.365 -0.605 1.00 0.32 C ATOM 0 H TRP B 62 148.542 10.523 -7.965 1.00 0.40 H new ATOM 0 HA TRP B 62 147.760 12.688 -6.280 1.00 0.39 H new ATOM 0 HB2 TRP B 62 146.311 10.730 -6.581 1.00 0.38 H new ATOM 0 HB3 TRP B 62 147.555 9.646 -5.991 1.00 0.38 H new ATOM 0 HD1 TRP B 62 145.147 12.380 -4.777 1.00 0.39 H new ATOM 0 HE1 TRP B 62 144.882 12.246 -2.208 1.00 0.37 H new ATOM 0 HE3 TRP B 62 148.680 8.825 -3.797 1.00 0.32 H new ATOM 0 HZ2 TRP B 62 146.078 10.762 -0.032 1.00 0.34 H new ATOM 0 HZ3 TRP B 62 149.093 8.068 -1.474 1.00 0.31 H new ATOM 0 HH2 TRP B 62 147.798 9.030 0.405 1.00 0.32 H new ATOM 2403 N LEU B 63 150.074 10.697 -5.015 1.00 0.34 N ATOM 2404 CA LEU B 63 151.091 10.657 -3.930 1.00 0.32 C ATOM 2405 C LEU B 63 152.123 11.764 -4.140 1.00 0.33 C ATOM 2406 O LEU B 63 152.457 12.492 -3.227 1.00 0.32 O ATOM 2407 CB LEU B 63 151.774 9.282 -3.933 1.00 0.31 C ATOM 2408 CG LEU B 63 152.839 9.205 -2.829 1.00 0.30 C ATOM 2409 CD1 LEU B 63 152.200 9.436 -1.449 1.00 0.30 C ATOM 2410 CD2 LEU B 63 153.489 7.815 -2.864 1.00 0.32 C ATOM 0 H LEU B 63 150.080 9.899 -5.650 1.00 0.34 H new ATOM 0 HA LEU B 63 150.607 10.817 -2.967 1.00 0.32 H new ATOM 0 HB2 LEU B 63 151.030 8.500 -3.783 1.00 0.31 H new ATOM 0 HB3 LEU B 63 152.235 9.101 -4.904 1.00 0.31 H new ATOM 0 HG LEU B 63 153.589 9.977 -2.999 1.00 0.30 H new ATOM 0 HD11 LEU B 63 152.968 9.378 -0.678 1.00 0.30 H new ATOM 0 HD12 LEU B 63 151.734 10.421 -1.424 1.00 0.30 H new ATOM 0 HD13 LEU B 63 151.444 8.673 -1.266 1.00 0.30 H new ATOM 0 HD21 LEU B 63 154.247 7.748 -2.084 1.00 0.32 H new ATOM 0 HD22 LEU B 63 152.728 7.053 -2.696 1.00 0.32 H new ATOM 0 HD23 LEU B 63 153.954 7.655 -3.837 1.00 0.32 H new ATOM 2422 N LYS B 64 152.622 11.903 -5.333 1.00 0.35 N ATOM 2423 CA LYS B 64 153.625 12.970 -5.601 1.00 0.37 C ATOM 2424 C LYS B 64 152.980 14.346 -5.417 1.00 0.38 C ATOM 2425 O LYS B 64 153.545 15.237 -4.815 1.00 0.38 O ATOM 2426 CB LYS B 64 154.156 12.832 -7.027 1.00 0.41 C ATOM 2427 CG LYS B 64 155.265 13.861 -7.258 1.00 0.43 C ATOM 2428 CD LYS B 64 155.824 13.696 -8.672 1.00 0.68 C ATOM 2429 CE LYS B 64 156.936 14.721 -8.913 1.00 1.24 C ATOM 2430 NZ LYS B 64 157.822 14.795 -7.715 1.00 2.10 N ATOM 0 H LYS B 64 152.379 11.324 -6.137 1.00 0.35 H new ATOM 0 HA LYS B 64 154.453 12.868 -4.900 1.00 0.37 H new ATOM 0 HB2 LYS B 64 154.540 11.825 -7.188 1.00 0.41 H new ATOM 0 HB3 LYS B 64 153.349 12.984 -7.744 1.00 0.41 H new ATOM 0 HG2 LYS B 64 154.874 14.870 -7.125 1.00 0.43 H new ATOM 0 HG3 LYS B 64 156.059 13.728 -6.523 1.00 0.43 H new ATOM 0 HD2 LYS B 64 156.213 12.686 -8.804 1.00 0.68 H new ATOM 0 HD3 LYS B 64 155.029 13.829 -9.405 1.00 0.68 H new ATOM 0 HE2 LYS B 64 157.518 14.440 -9.791 1.00 1.24 H new ATOM 0 HE3 LYS B 64 156.503 15.700 -9.118 1.00 1.24 H new ATOM 0 HZ1 LYS B 64 158.759 15.147 -7.997 1.00 2.10 H new ATOM 0 HZ2 LYS B 64 157.406 15.442 -7.015 1.00 2.10 H new ATOM 0 HZ3 LYS B 64 157.919 13.848 -7.296 1.00 2.10 H new ATOM 2444 N ASP B 65 151.795 14.518 -5.936 1.00 0.41 N ATOM 2445 CA ASP B 65 151.096 15.826 -5.803 1.00 0.44 C ATOM 2446 C ASP B 65 150.676 16.041 -4.349 1.00 0.43 C ATOM 2447 O ASP B 65 150.585 17.157 -3.877 1.00 0.45 O ATOM 2448 CB ASP B 65 149.858 15.838 -6.706 1.00 0.48 C ATOM 2449 CG ASP B 65 149.233 17.234 -6.711 1.00 1.17 C ATOM 2450 OD1 ASP B 65 149.227 17.864 -5.667 1.00 1.90 O ATOM 2451 OD2 ASP B 65 148.774 17.653 -7.761 1.00 1.41 O ATOM 0 H ASP B 65 151.279 13.804 -6.449 1.00 0.41 H new ATOM 0 HA ASP B 65 151.770 16.628 -6.103 1.00 0.44 H new ATOM 0 HB2 ASP B 65 150.134 15.550 -7.720 1.00 0.48 H new ATOM 0 HB3 ASP B 65 149.132 15.106 -6.353 1.00 0.48 H new ATOM 2456 N THR B 66 150.387 14.982 -3.643 1.00 0.39 N ATOM 2457 CA THR B 66 149.934 15.127 -2.231 1.00 0.39 C ATOM 2458 C THR B 66 151.116 15.373 -1.287 1.00 0.38 C ATOM 2459 O THR B 66 150.965 16.067 -0.303 1.00 0.40 O ATOM 2460 CB THR B 66 149.191 13.859 -1.800 1.00 0.37 C ATOM 2461 OG1 THR B 66 148.058 13.671 -2.636 1.00 0.37 O ATOM 2462 CG2 THR B 66 148.729 13.998 -0.348 1.00 0.38 C ATOM 0 H THR B 66 150.445 14.022 -3.983 1.00 0.39 H new ATOM 0 HA THR B 66 149.269 15.989 -2.174 1.00 0.39 H new ATOM 0 HB THR B 66 149.860 13.003 -1.886 1.00 0.37 H new ATOM 0 HG1 THR B 66 148.354 13.510 -3.556 1.00 0.37 H new ATOM 0 HG21 THR B 66 148.201 13.094 -0.046 1.00 0.38 H new ATOM 0 HG22 THR B 66 149.595 14.145 0.297 1.00 0.38 H new ATOM 0 HG23 THR B 66 148.061 14.855 -0.259 1.00 0.38 H new ATOM 2470 N CYS B 67 152.276 14.794 -1.528 1.00 0.36 N ATOM 2471 CA CYS B 67 153.427 14.989 -0.580 1.00 0.37 C ATOM 2472 C CYS B 67 154.711 15.398 -1.309 1.00 0.37 C ATOM 2473 O CYS B 67 155.549 16.083 -0.755 1.00 0.39 O ATOM 2474 CB CYS B 67 153.680 13.676 0.160 1.00 0.36 C ATOM 2475 SG CYS B 67 154.071 12.375 -1.036 1.00 0.36 S ATOM 0 H CYS B 67 152.473 14.200 -2.333 1.00 0.36 H new ATOM 0 HA CYS B 67 153.163 15.790 0.110 1.00 0.37 H new ATOM 0 HB2 CYS B 67 154.503 13.796 0.865 1.00 0.36 H new ATOM 0 HB3 CYS B 67 152.801 13.398 0.741 1.00 0.36 H new ATOM 0 HG CYS B 67 153.444 12.608 -2.151 1.00 0.36 H new ATOM 2481 N GLY B 68 154.882 14.977 -2.539 1.00 0.35 N ATOM 2482 CA GLY B 68 156.125 15.332 -3.300 1.00 0.36 C ATOM 2483 C GLY B 68 157.032 14.100 -3.395 1.00 0.34 C ATOM 2484 O GLY B 68 158.195 14.203 -3.735 1.00 0.33 O ATOM 0 H GLY B 68 154.214 14.401 -3.051 1.00 0.35 H new ATOM 0 HA2 GLY B 68 155.865 15.684 -4.298 1.00 0.36 H new ATOM 0 HA3 GLY B 68 156.650 16.146 -2.801 1.00 0.36 H new ATOM 2488 N ALA B 69 156.517 12.935 -3.100 1.00 0.32 N ATOM 2489 CA ALA B 69 157.359 11.705 -3.181 1.00 0.31 C ATOM 2490 C ALA B 69 158.038 11.645 -4.551 1.00 0.31 C ATOM 2491 O ALA B 69 157.563 12.215 -5.512 1.00 0.32 O ATOM 2492 CB ALA B 69 156.479 10.467 -2.992 1.00 0.31 C ATOM 0 H ALA B 69 155.552 12.782 -2.807 1.00 0.32 H new ATOM 0 HA ALA B 69 158.117 11.731 -2.398 1.00 0.31 H new ATOM 0 HB1 ALA B 69 157.095 9.570 -3.051 1.00 0.31 H new ATOM 0 HB2 ALA B 69 155.995 10.510 -2.017 1.00 0.31 H new ATOM 0 HB3 ALA B 69 155.719 10.438 -3.773 1.00 0.31 H new ATOM 2498 N ASN B 70 159.157 10.974 -4.649 1.00 0.29 N ATOM 2499 CA ASN B 70 159.872 10.900 -5.959 1.00 0.29 C ATOM 2500 C ASN B 70 159.371 9.701 -6.769 1.00 0.29 C ATOM 2501 O ASN B 70 158.635 8.867 -6.283 1.00 0.29 O ATOM 2502 CB ASN B 70 161.373 10.746 -5.706 1.00 0.29 C ATOM 2503 CG ASN B 70 162.114 10.683 -7.042 1.00 1.07 C ATOM 2504 OD1 ASN B 70 162.033 11.597 -7.840 1.00 1.91 O ATOM 2505 ND2 ASN B 70 162.838 9.634 -7.323 1.00 1.78 N ATOM 0 H ASN B 70 159.606 10.475 -3.881 1.00 0.29 H new ATOM 0 HA ASN B 70 159.680 11.814 -6.521 1.00 0.29 H new ATOM 0 HB2 ASN B 70 161.740 11.584 -5.114 1.00 0.29 H new ATOM 0 HB3 ASN B 70 161.564 9.841 -5.130 1.00 0.29 H new ATOM 0 HD21 ASN B 70 163.336 9.581 -8.212 1.00 1.78 H new ATOM 0 HD22 ASN B 70 162.906 8.867 -6.654 1.00 1.78 H new ATOM 2512 N ALA B 71 159.761 9.629 -8.014 1.00 0.31 N ATOM 2513 CA ALA B 71 159.312 8.510 -8.890 1.00 0.33 C ATOM 2514 C ALA B 71 159.787 7.162 -8.344 1.00 0.31 C ATOM 2515 O ALA B 71 159.116 6.166 -8.490 1.00 0.31 O ATOM 2516 CB ALA B 71 159.881 8.706 -10.295 1.00 0.38 C ATOM 0 H ALA B 71 160.378 10.305 -8.465 1.00 0.31 H new ATOM 0 HA ALA B 71 158.222 8.512 -8.918 1.00 0.33 H new ATOM 0 HB1 ALA B 71 159.554 7.888 -10.937 1.00 0.38 H new ATOM 0 HB2 ALA B 71 159.526 9.652 -10.703 1.00 0.38 H new ATOM 0 HB3 ALA B 71 160.970 8.717 -10.248 1.00 0.38 H new ATOM 2522 N LYS B 72 160.931 7.108 -7.724 1.00 0.29 N ATOM 2523 CA LYS B 72 161.415 5.797 -7.196 1.00 0.28 C ATOM 2524 C LYS B 72 160.553 5.370 -6.010 1.00 0.26 C ATOM 2525 O LYS B 72 160.229 4.208 -5.836 1.00 0.26 O ATOM 2526 CB LYS B 72 162.874 5.924 -6.749 1.00 0.28 C ATOM 2527 CG LYS B 72 163.419 4.540 -6.383 1.00 1.18 C ATOM 2528 CD LYS B 72 164.876 4.666 -5.936 1.00 1.28 C ATOM 2529 CE LYS B 72 165.425 3.283 -5.580 1.00 2.10 C ATOM 2530 NZ LYS B 72 164.673 2.731 -4.418 1.00 2.57 N ATOM 0 H LYS B 72 161.548 7.903 -7.560 1.00 0.29 H new ATOM 0 HA LYS B 72 161.344 5.047 -7.984 1.00 0.28 H new ATOM 0 HB2 LYS B 72 163.473 6.363 -7.547 1.00 0.28 H new ATOM 0 HB3 LYS B 72 162.946 6.593 -5.892 1.00 0.28 H new ATOM 0 HG2 LYS B 72 162.820 4.101 -5.585 1.00 1.18 H new ATOM 0 HG3 LYS B 72 163.347 3.871 -7.241 1.00 1.18 H new ATOM 0 HD2 LYS B 72 165.474 5.112 -6.731 1.00 1.28 H new ATOM 0 HD3 LYS B 72 164.946 5.329 -5.074 1.00 1.28 H new ATOM 0 HE2 LYS B 72 165.335 2.614 -6.436 1.00 2.10 H new ATOM 0 HE3 LYS B 72 166.486 3.352 -5.340 1.00 2.10 H new ATOM 0 HZ1 LYS B 72 165.036 1.784 -4.188 1.00 2.57 H new ATOM 0 HZ2 LYS B 72 164.794 3.357 -3.597 1.00 2.57 H new ATOM 0 HZ3 LYS B 72 163.663 2.666 -4.657 1.00 2.57 H new ATOM 2544 N GLN B 73 160.198 6.306 -5.178 1.00 0.25 N ATOM 2545 CA GLN B 73 159.385 5.981 -3.980 1.00 0.24 C ATOM 2546 C GLN B 73 158.004 5.477 -4.392 1.00 0.25 C ATOM 2547 O GLN B 73 157.393 4.691 -3.696 1.00 0.25 O ATOM 2548 CB GLN B 73 159.231 7.240 -3.121 1.00 0.26 C ATOM 2549 CG GLN B 73 160.609 7.712 -2.649 1.00 0.28 C ATOM 2550 CD GLN B 73 161.232 6.659 -1.728 1.00 1.25 C ATOM 2551 OE1 GLN B 73 162.357 6.248 -1.929 1.00 2.12 O ATOM 2552 NE2 GLN B 73 160.544 6.204 -0.718 1.00 1.89 N ATOM 0 H GLN B 73 160.440 7.292 -5.279 1.00 0.25 H new ATOM 0 HA GLN B 73 159.888 5.199 -3.412 1.00 0.24 H new ATOM 0 HB2 GLN B 73 158.743 8.027 -3.696 1.00 0.26 H new ATOM 0 HB3 GLN B 73 158.593 7.031 -2.262 1.00 0.26 H new ATOM 0 HG2 GLN B 73 161.257 7.886 -3.508 1.00 0.28 H new ATOM 0 HG3 GLN B 73 160.517 8.661 -2.121 1.00 0.28 H new ATOM 0 HE21 GLN B 73 159.599 6.548 -0.548 1.00 1.89 H new ATOM 0 HE22 GLN B 73 160.951 5.504 -0.098 1.00 1.89 H new ATOM 2561 N SER B 74 157.495 5.924 -5.507 1.00 0.26 N ATOM 2562 CA SER B 74 156.148 5.467 -5.934 1.00 0.27 C ATOM 2563 C SER B 74 156.180 3.987 -6.327 1.00 0.26 C ATOM 2564 O SER B 74 155.267 3.246 -6.023 1.00 0.26 O ATOM 2565 CB SER B 74 155.678 6.299 -7.122 1.00 0.30 C ATOM 2566 OG SER B 74 156.342 5.859 -8.302 1.00 1.36 O ATOM 0 H SER B 74 157.953 6.583 -6.137 1.00 0.26 H new ATOM 0 HA SER B 74 155.457 5.593 -5.100 1.00 0.27 H new ATOM 0 HB2 SER B 74 154.599 6.204 -7.242 1.00 0.30 H new ATOM 0 HB3 SER B 74 155.887 7.354 -6.946 1.00 0.30 H new ATOM 0 HG SER B 74 157.301 6.048 -8.228 1.00 1.36 H new ATOM 2572 N ARG B 75 157.216 3.532 -6.992 1.00 0.27 N ATOM 2573 CA ARG B 75 157.263 2.091 -7.371 1.00 0.27 C ATOM 2574 C ARG B 75 157.220 1.248 -6.101 1.00 0.26 C ATOM 2575 O ARG B 75 156.619 0.192 -6.077 1.00 0.26 O ATOM 2576 CB ARG B 75 158.544 1.784 -8.170 1.00 0.29 C ATOM 2577 CG ARG B 75 158.320 2.075 -9.662 1.00 0.32 C ATOM 2578 CD ARG B 75 157.743 3.482 -9.842 1.00 0.61 C ATOM 2579 NE ARG B 75 157.899 3.910 -11.273 1.00 1.35 N ATOM 2580 CZ ARG B 75 159.074 4.009 -11.837 1.00 1.82 C ATOM 2581 NH1 ARG B 75 160.162 3.914 -11.123 1.00 1.89 N ATOM 2582 NH2 ARG B 75 159.159 4.253 -13.116 1.00 2.81 N ATOM 0 H ARG B 75 158.019 4.090 -7.284 1.00 0.27 H new ATOM 0 HA ARG B 75 156.407 1.853 -8.002 1.00 0.27 H new ATOM 0 HB2 ARG B 75 159.370 2.388 -7.794 1.00 0.29 H new ATOM 0 HB3 ARG B 75 158.825 0.740 -8.034 1.00 0.29 H new ATOM 0 HG2 ARG B 75 159.262 1.988 -10.203 1.00 0.32 H new ATOM 0 HG3 ARG B 75 157.639 1.337 -10.086 1.00 0.32 H new ATOM 0 HD2 ARG B 75 156.690 3.493 -9.561 1.00 0.61 H new ATOM 0 HD3 ARG B 75 158.256 4.183 -9.184 1.00 0.61 H new ATOM 0 HE ARG B 75 157.066 4.129 -11.819 1.00 1.35 H new ATOM 0 HH11 ARG B 75 160.100 3.761 -10.116 1.00 1.89 H new ATOM 0 HH12 ARG B 75 161.075 3.992 -11.571 1.00 1.89 H new ATOM 0 HH21 ARG B 75 158.311 4.366 -13.671 1.00 2.81 H new ATOM 0 HH22 ARG B 75 160.074 4.331 -13.561 1.00 2.81 H new ATOM 2596 N ASP B 76 157.865 1.671 -5.045 1.00 0.24 N ATOM 2597 CA ASP B 76 157.863 0.854 -3.802 1.00 0.24 C ATOM 2598 C ASP B 76 156.476 0.859 -3.163 1.00 0.22 C ATOM 2599 O ASP B 76 156.006 -0.158 -2.692 1.00 0.22 O ATOM 2600 CB ASP B 76 158.878 1.437 -2.816 1.00 0.23 C ATOM 2601 CG ASP B 76 160.296 1.190 -3.336 1.00 0.25 C ATOM 2602 OD1 ASP B 76 160.456 0.313 -4.168 1.00 0.40 O ATOM 2603 OD2 ASP B 76 161.198 1.879 -2.889 1.00 0.39 O ATOM 0 H ASP B 76 158.390 2.544 -4.992 1.00 0.24 H new ATOM 0 HA ASP B 76 158.131 -0.173 -4.052 1.00 0.24 H new ATOM 0 HB2 ASP B 76 158.706 2.506 -2.691 1.00 0.23 H new ATOM 0 HB3 ASP B 76 158.754 0.977 -1.836 1.00 0.23 H new ATOM 2608 N CYS B 77 155.797 1.974 -3.154 1.00 0.22 N ATOM 2609 CA CYS B 77 154.433 1.994 -2.560 1.00 0.21 C ATOM 2610 C CYS B 77 153.477 1.208 -3.459 1.00 0.22 C ATOM 2611 O CYS B 77 152.619 0.490 -2.986 1.00 0.21 O ATOM 2612 CB CYS B 77 153.951 3.440 -2.433 1.00 0.22 C ATOM 2613 SG CYS B 77 154.887 4.276 -1.128 1.00 0.23 S ATOM 0 H CYS B 77 156.125 2.864 -3.529 1.00 0.22 H new ATOM 0 HA CYS B 77 154.459 1.536 -1.571 1.00 0.21 H new ATOM 0 HB2 CYS B 77 154.081 3.963 -3.381 1.00 0.22 H new ATOM 0 HB3 CYS B 77 152.886 3.461 -2.202 1.00 0.22 H new ATOM 0 HG CYS B 77 155.261 3.406 -0.237 1.00 0.23 H new ATOM 2619 N PHE B 78 153.603 1.345 -4.751 1.00 0.23 N ATOM 2620 CA PHE B 78 152.681 0.613 -5.661 1.00 0.25 C ATOM 2621 C PHE B 78 152.823 -0.892 -5.437 1.00 0.24 C ATOM 2622 O PHE B 78 151.883 -1.569 -5.073 1.00 0.23 O ATOM 2623 CB PHE B 78 153.043 0.948 -7.110 1.00 0.28 C ATOM 2624 CG PHE B 78 152.151 0.178 -8.052 1.00 0.32 C ATOM 2625 CD1 PHE B 78 150.937 0.728 -8.480 1.00 0.36 C ATOM 2626 CD2 PHE B 78 152.542 -1.089 -8.502 1.00 0.38 C ATOM 2627 CE1 PHE B 78 150.115 0.012 -9.358 1.00 0.40 C ATOM 2628 CE2 PHE B 78 151.721 -1.805 -9.379 1.00 0.43 C ATOM 2629 CZ PHE B 78 150.507 -1.255 -9.807 1.00 0.42 C ATOM 0 H PHE B 78 154.301 1.929 -5.212 1.00 0.23 H new ATOM 0 HA PHE B 78 151.652 0.910 -5.457 1.00 0.25 H new ATOM 0 HB2 PHE B 78 152.932 2.018 -7.284 1.00 0.28 H new ATOM 0 HB3 PHE B 78 154.087 0.700 -7.300 1.00 0.28 H new ATOM 0 HD1 PHE B 78 150.635 1.705 -8.133 1.00 0.36 H new ATOM 0 HD2 PHE B 78 153.478 -1.514 -8.172 1.00 0.38 H new ATOM 0 HE1 PHE B 78 149.179 0.437 -9.689 1.00 0.40 H new ATOM 0 HE2 PHE B 78 152.024 -2.782 -9.726 1.00 0.43 H new ATOM 0 HZ PHE B 78 149.873 -1.808 -10.484 1.00 0.42 H new ATOM 2639 N GLY B 79 153.994 -1.420 -5.662 1.00 0.25 N ATOM 2640 CA GLY B 79 154.208 -2.882 -5.476 1.00 0.25 C ATOM 2641 C GLY B 79 153.952 -3.273 -4.020 1.00 0.23 C ATOM 2642 O GLY B 79 153.483 -4.353 -3.729 1.00 0.24 O ATOM 0 H GLY B 79 154.816 -0.899 -5.968 1.00 0.25 H new ATOM 0 HA2 GLY B 79 153.541 -3.441 -6.133 1.00 0.25 H new ATOM 0 HA3 GLY B 79 155.227 -3.146 -5.757 1.00 0.25 H new ATOM 2646 N CYS B 80 154.248 -2.403 -3.100 1.00 0.22 N ATOM 2647 CA CYS B 80 154.009 -2.741 -1.671 1.00 0.21 C ATOM 2648 C CYS B 80 152.504 -2.761 -1.390 1.00 0.21 C ATOM 2649 O CYS B 80 151.993 -3.687 -0.793 1.00 0.22 O ATOM 2650 CB CYS B 80 154.688 -1.706 -0.775 1.00 0.22 C ATOM 2651 SG CYS B 80 154.360 -2.105 0.959 1.00 0.24 S ATOM 0 H CYS B 80 154.642 -1.478 -3.272 1.00 0.22 H new ATOM 0 HA CYS B 80 154.426 -3.726 -1.460 1.00 0.21 H new ATOM 0 HB2 CYS B 80 155.762 -1.697 -0.961 1.00 0.22 H new ATOM 0 HB3 CYS B 80 154.316 -0.708 -1.007 1.00 0.22 H new ATOM 0 HG CYS B 80 154.135 -1.009 1.621 1.00 0.24 H new ATOM 2657 N LEU B 81 151.785 -1.764 -1.831 1.00 0.21 N ATOM 2658 CA LEU B 81 150.313 -1.773 -1.590 1.00 0.21 C ATOM 2659 C LEU B 81 149.664 -2.836 -2.487 1.00 0.21 C ATOM 2660 O LEU B 81 148.771 -3.547 -2.075 1.00 0.22 O ATOM 2661 CB LEU B 81 149.731 -0.396 -1.937 1.00 0.22 C ATOM 2662 CG LEU B 81 150.376 0.694 -1.062 1.00 0.24 C ATOM 2663 CD1 LEU B 81 150.184 2.061 -1.724 1.00 0.29 C ATOM 2664 CD2 LEU B 81 149.714 0.727 0.321 1.00 0.28 C ATOM 0 H LEU B 81 152.145 -0.956 -2.339 1.00 0.21 H new ATOM 0 HA LEU B 81 150.114 -2.000 -0.543 1.00 0.21 H new ATOM 0 HB2 LEU B 81 149.904 -0.176 -2.990 1.00 0.22 H new ATOM 0 HB3 LEU B 81 148.652 -0.402 -1.786 1.00 0.22 H new ATOM 0 HG LEU B 81 151.437 0.470 -0.954 1.00 0.24 H new ATOM 0 HD11 LEU B 81 150.641 2.833 -1.104 1.00 0.29 H new ATOM 0 HD12 LEU B 81 150.655 2.059 -2.707 1.00 0.29 H new ATOM 0 HD13 LEU B 81 149.119 2.266 -1.833 1.00 0.29 H new ATOM 0 HD21 LEU B 81 150.180 1.502 0.929 1.00 0.28 H new ATOM 0 HD22 LEU B 81 148.651 0.942 0.211 1.00 0.28 H new ATOM 0 HD23 LEU B 81 149.840 -0.240 0.808 1.00 0.28 H new ATOM 2676 N ARG B 82 150.101 -2.941 -3.718 1.00 0.22 N ATOM 2677 CA ARG B 82 149.499 -3.947 -4.642 1.00 0.24 C ATOM 2678 C ARG B 82 149.737 -5.360 -4.109 1.00 0.25 C ATOM 2679 O ARG B 82 148.873 -6.212 -4.175 1.00 0.26 O ATOM 2680 CB ARG B 82 150.130 -3.819 -6.033 1.00 0.28 C ATOM 2681 CG ARG B 82 149.465 -4.813 -6.994 1.00 0.32 C ATOM 2682 CD ARG B 82 150.092 -4.689 -8.382 1.00 0.85 C ATOM 2683 NE ARG B 82 149.369 -5.579 -9.333 1.00 1.42 N ATOM 2684 CZ ARG B 82 149.518 -5.420 -10.619 1.00 1.96 C ATOM 2685 NH1 ARG B 82 150.312 -4.489 -11.072 1.00 2.26 N ATOM 2686 NH2 ARG B 82 148.874 -6.192 -11.451 1.00 2.74 N ATOM 0 H ARG B 82 150.847 -2.374 -4.121 1.00 0.22 H new ATOM 0 HA ARG B 82 148.427 -3.763 -4.708 1.00 0.24 H new ATOM 0 HB2 ARG B 82 150.010 -2.802 -6.406 1.00 0.28 H new ATOM 0 HB3 ARG B 82 151.201 -4.013 -5.977 1.00 0.28 H new ATOM 0 HG2 ARG B 82 149.585 -5.830 -6.620 1.00 0.32 H new ATOM 0 HG3 ARG B 82 148.394 -4.618 -7.050 1.00 0.32 H new ATOM 0 HD2 ARG B 82 150.042 -3.655 -8.725 1.00 0.85 H new ATOM 0 HD3 ARG B 82 151.147 -4.961 -8.342 1.00 0.85 H new ATOM 0 HE ARG B 82 148.757 -6.314 -8.978 1.00 1.42 H new ATOM 0 HH11 ARG B 82 150.815 -3.887 -10.421 1.00 2.26 H new ATOM 0 HH12 ARG B 82 150.429 -4.364 -12.077 1.00 2.26 H new ATOM 0 HH21 ARG B 82 148.254 -6.920 -11.096 1.00 2.74 H new ATOM 0 HH22 ARG B 82 148.991 -6.068 -12.457 1.00 2.74 H new ATOM 2700 N GLU B 83 150.903 -5.618 -3.592 1.00 0.25 N ATOM 2701 CA GLU B 83 151.200 -6.980 -3.067 1.00 0.27 C ATOM 2702 C GLU B 83 150.404 -7.247 -1.794 1.00 0.27 C ATOM 2703 O GLU B 83 149.906 -8.337 -1.594 1.00 0.28 O ATOM 2704 CB GLU B 83 152.700 -7.117 -2.792 1.00 0.29 C ATOM 2705 CG GLU B 83 153.448 -7.281 -4.118 1.00 0.33 C ATOM 2706 CD GLU B 83 154.943 -7.418 -3.841 1.00 1.20 C ATOM 2707 OE1 GLU B 83 155.333 -7.196 -2.710 1.00 1.91 O ATOM 2708 OE2 GLU B 83 155.671 -7.741 -4.765 1.00 1.57 O ATOM 0 H GLU B 83 151.665 -4.945 -3.509 1.00 0.25 H new ATOM 0 HA GLU B 83 150.908 -7.716 -3.816 1.00 0.27 H new ATOM 0 HB2 GLU B 83 153.065 -6.237 -2.262 1.00 0.29 H new ATOM 0 HB3 GLU B 83 152.886 -7.977 -2.148 1.00 0.29 H new ATOM 0 HG2 GLU B 83 153.083 -8.160 -4.648 1.00 0.33 H new ATOM 0 HG3 GLU B 83 153.263 -6.421 -4.762 1.00 0.33 H new ATOM 2715 N TRP B 84 150.240 -6.274 -0.936 1.00 0.25 N ATOM 2716 CA TRP B 84 149.437 -6.510 0.290 1.00 0.25 C ATOM 2717 C TRP B 84 148.017 -6.872 -0.136 1.00 0.26 C ATOM 2718 O TRP B 84 147.426 -7.818 0.343 1.00 0.28 O ATOM 2719 CB TRP B 84 149.404 -5.243 1.144 1.00 0.25 C ATOM 2720 CG TRP B 84 148.644 -5.517 2.402 1.00 0.27 C ATOM 2721 CD1 TRP B 84 149.195 -5.947 3.559 1.00 0.30 C ATOM 2722 CD2 TRP B 84 147.211 -5.402 2.649 1.00 0.29 C ATOM 2723 NE1 TRP B 84 148.196 -6.098 4.503 1.00 0.32 N ATOM 2724 CE2 TRP B 84 146.955 -5.776 3.991 1.00 0.32 C ATOM 2725 CE3 TRP B 84 146.122 -5.013 1.850 1.00 0.31 C ATOM 2726 CZ2 TRP B 84 145.664 -5.764 4.520 1.00 0.35 C ATOM 2727 CZ3 TRP B 84 144.820 -5.001 2.379 1.00 0.35 C ATOM 2728 CH2 TRP B 84 144.591 -5.376 3.710 1.00 0.36 C ATOM 0 H TRP B 84 150.626 -5.335 -1.034 1.00 0.25 H new ATOM 0 HA TRP B 84 149.878 -7.316 0.876 1.00 0.25 H new ATOM 0 HB2 TRP B 84 150.419 -4.923 1.381 1.00 0.25 H new ATOM 0 HB3 TRP B 84 148.934 -4.430 0.591 1.00 0.25 H new ATOM 0 HD1 TRP B 84 150.245 -6.141 3.720 1.00 0.30 H new ATOM 0 HE1 TRP B 84 148.356 -6.409 5.461 1.00 0.32 H new ATOM 0 HE3 TRP B 84 146.287 -4.722 0.823 1.00 0.31 H new ATOM 0 HZ2 TRP B 84 145.494 -6.052 5.547 1.00 0.35 H new ATOM 0 HZ3 TRP B 84 143.991 -4.701 1.756 1.00 0.35 H new ATOM 0 HH2 TRP B 84 143.588 -5.365 4.110 1.00 0.36 H new ATOM 2739 N CYS B 85 147.459 -6.106 -1.032 1.00 0.27 N ATOM 2740 CA CYS B 85 146.072 -6.380 -1.486 1.00 0.30 C ATOM 2741 C CYS B 85 145.995 -7.776 -2.104 1.00 0.33 C ATOM 2742 O CYS B 85 145.048 -8.505 -1.898 1.00 0.36 O ATOM 2743 CB CYS B 85 145.673 -5.335 -2.531 1.00 0.33 C ATOM 2744 SG CYS B 85 145.323 -3.761 -1.709 1.00 0.33 S ATOM 0 H CYS B 85 147.907 -5.301 -1.469 1.00 0.27 H new ATOM 0 HA CYS B 85 145.393 -6.330 -0.635 1.00 0.30 H new ATOM 0 HB2 CYS B 85 146.475 -5.207 -3.258 1.00 0.33 H new ATOM 0 HB3 CYS B 85 144.795 -5.673 -3.082 1.00 0.33 H new ATOM 0 HG CYS B 85 144.986 -2.873 -2.597 1.00 0.33 H new ATOM 2750 N ASP B 86 146.985 -8.158 -2.856 1.00 0.34 N ATOM 2751 CA ASP B 86 146.962 -9.509 -3.477 1.00 0.40 C ATOM 2752 C ASP B 86 146.880 -10.571 -2.380 1.00 0.41 C ATOM 2753 O ASP B 86 146.343 -11.644 -2.578 1.00 0.43 O ATOM 2754 CB ASP B 86 148.236 -9.716 -4.299 1.00 0.42 C ATOM 2755 CG ASP B 86 148.196 -8.821 -5.539 1.00 0.43 C ATOM 2756 OD1 ASP B 86 147.112 -8.400 -5.905 1.00 0.55 O ATOM 2757 OD2 ASP B 86 149.249 -8.571 -6.099 1.00 0.52 O ATOM 0 H ASP B 86 147.809 -7.595 -3.068 1.00 0.34 H new ATOM 0 HA ASP B 86 146.094 -9.595 -4.130 1.00 0.40 H new ATOM 0 HB2 ASP B 86 149.113 -9.480 -3.696 1.00 0.42 H new ATOM 0 HB3 ASP B 86 148.324 -10.761 -4.595 1.00 0.42 H new ATOM 2762 N ALA B 87 147.422 -10.285 -1.225 1.00 0.40 N ATOM 2763 CA ALA B 87 147.392 -11.281 -0.112 1.00 0.43 C ATOM 2764 C ALA B 87 146.192 -11.029 0.811 1.00 0.43 C ATOM 2765 O ALA B 87 145.642 -11.950 1.383 1.00 0.47 O ATOM 2766 CB ALA B 87 148.683 -11.163 0.701 1.00 0.40 C ATOM 0 H ALA B 87 147.885 -9.403 -1.004 1.00 0.40 H new ATOM 0 HA ALA B 87 147.302 -12.280 -0.539 1.00 0.43 H new ATOM 0 HB1 ALA B 87 148.668 -11.887 1.515 1.00 0.40 H new ATOM 0 HB2 ALA B 87 149.539 -11.361 0.056 1.00 0.40 H new ATOM 0 HB3 ALA B 87 148.763 -10.157 1.112 1.00 0.40 H new ATOM 2772 N PHE B 88 145.807 -9.785 0.994 1.00 0.39 N ATOM 2773 CA PHE B 88 144.668 -9.464 1.924 1.00 0.44 C ATOM 2774 C PHE B 88 143.401 -9.023 1.175 1.00 0.54 C ATOM 2775 O PHE B 88 142.369 -8.833 1.788 1.00 1.24 O ATOM 2776 CB PHE B 88 145.095 -8.331 2.863 1.00 0.41 C ATOM 2777 CG PHE B 88 146.135 -8.829 3.841 1.00 0.38 C ATOM 2778 CD1 PHE B 88 147.497 -8.751 3.525 1.00 0.35 C ATOM 2779 CD2 PHE B 88 145.733 -9.361 5.071 1.00 0.43 C ATOM 2780 CE1 PHE B 88 148.456 -9.204 4.440 1.00 0.39 C ATOM 2781 CE2 PHE B 88 146.691 -9.816 5.985 1.00 0.46 C ATOM 2782 CZ PHE B 88 148.053 -9.736 5.669 1.00 0.44 C ATOM 0 H PHE B 88 146.232 -8.976 0.540 1.00 0.39 H new ATOM 0 HA PHE B 88 144.432 -10.374 2.475 1.00 0.44 H new ATOM 0 HB2 PHE B 88 145.498 -7.501 2.283 1.00 0.41 H new ATOM 0 HB3 PHE B 88 144.228 -7.951 3.404 1.00 0.41 H new ATOM 0 HD1 PHE B 88 147.808 -8.341 2.575 1.00 0.35 H new ATOM 0 HD2 PHE B 88 144.683 -9.421 5.316 1.00 0.43 H new ATOM 0 HE1 PHE B 88 149.506 -9.142 4.196 1.00 0.39 H new ATOM 0 HE2 PHE B 88 146.380 -10.229 6.933 1.00 0.46 H new ATOM 0 HZ PHE B 88 148.792 -10.085 6.375 1.00 0.44 H new ATOM 2792 N LEU B 89 143.447 -8.852 -0.124 1.00 0.39 N ATOM 2793 CA LEU B 89 142.214 -8.418 -0.866 1.00 0.36 C ATOM 2794 C LEU B 89 141.540 -9.639 -1.498 1.00 0.87 C ATOM 2795 O LEU B 89 142.214 -10.357 -2.217 1.00 1.43 O ATOM 2796 CB LEU B 89 142.605 -7.412 -1.961 1.00 0.74 C ATOM 2797 CG LEU B 89 141.385 -6.569 -2.381 1.00 0.47 C ATOM 2798 CD1 LEU B 89 141.134 -5.430 -1.372 1.00 1.00 C ATOM 2799 CD2 LEU B 89 141.643 -5.962 -3.767 1.00 1.27 C ATOM 2800 OXT LEU B 89 140.361 -9.833 -1.254 1.00 1.67 O ATOM 0 H LEU B 89 144.276 -8.992 -0.702 1.00 0.39 H new ATOM 0 HA LEU B 89 141.518 -7.944 -0.174 1.00 0.36 H new ATOM 0 HB2 LEU B 89 143.398 -6.759 -1.596 1.00 0.74 H new ATOM 0 HB3 LEU B 89 143.002 -7.943 -2.826 1.00 0.74 H new ATOM 0 HG LEU B 89 140.508 -7.215 -2.407 1.00 0.47 H new ATOM 0 HD11 LEU B 89 140.268 -4.848 -1.688 1.00 1.00 H new ATOM 0 HD12 LEU B 89 140.946 -5.853 -0.385 1.00 1.00 H new ATOM 0 HD13 LEU B 89 142.010 -4.783 -1.328 1.00 1.00 H new ATOM 0 HD21 LEU B 89 140.783 -5.365 -4.069 1.00 1.27 H new ATOM 0 HD22 LEU B 89 142.529 -5.328 -3.727 1.00 1.27 H new ATOM 0 HD23 LEU B 89 141.801 -6.762 -4.491 1.00 1.27 H new TER 2812 LEU B 89