USER MOD reduce.3.24.130724 H: found=0, std=0, add=1402, rem=0, adj=41 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 3 THR OG1 : rot -130:sc= -0.133 USER MOD Set 1.2: B 7 HIS : no HE2:sc= -2.6 K(o=-2.7,f=-6.9!) USER MOD Set 2.1: A 54 LYS NZ :NH3+ -142:sc= -0.925 (180deg=-2.05!) USER MOD Set 2.2: B 43 TYR OH : rot 180:sc= 0.0514 USER MOD Set 3.1: A 43 TYR OH : rot 180:sc= -0.0207 USER MOD Set 3.2: B 54 LYS NZ :NH3+ -143:sc= -0.719 (180deg=-1.64!) USER MOD Set 4.1: A 3 THR OG1 : rot -130:sc= -0.127 USER MOD Set 4.2: A 7 HIS : no HE2:sc= -2.59 K(o=-2.7,f=-6.8!) USER MOD Single : A 1 MET CE :methyl -152:sc= -0.141 (180deg=-1.12) USER MOD Single : A 1 MET N :NH3+ -163:sc= 0 (180deg=-0.281) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= -0.0951 USER MOD Single : A 5 GLN : amide:sc=-0.00046 K(o=-0.00046,f=-1.7!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 180:sc= -0.367 (180deg=-0.367) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -97:sc= 0.703 USER MOD Single : A 32 LYS NZ :NH3+ -131:sc= 0.641 (180deg=-1.58!) USER MOD Single : A 33 LYS NZ :NH3+ -114:sc= 0.309 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 165:sc= 0.269 (180deg=0.196) USER MOD Single : A 48 GLN : amide:sc= -0.183 K(o=-0.18,f=-1.3!) USER MOD Single : A 53 LYS NZ :NH3+ -173:sc= 0.912 (180deg=0.533) USER MOD Single : A 64 LYS NZ :NH3+ 160:sc= -0.0417 (180deg=-0.515) USER MOD Single : A 66 THR OG1 : rot 65:sc= 0.824 USER MOD Single : A 67 CYS SG : rot -31:sc= 0.952 USER MOD Single : A 70 ASN : amide:sc=-0.00564 X(o=-0.0056,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -1.13! K(o=-1.1!,f=-1.7) USER MOD Single : A 74 SER OG : rot 108:sc= -0.957 USER MOD Single : A 77 CYS SG : rot -22:sc= -1.23 USER MOD Single : A 80 CYS SG : rot 83:sc= -0.727 USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl -154:sc= -0.187 (180deg=-1.11) USER MOD Single : B 1 MET N :NH3+ -164:sc= -0.0101 (180deg=-0.262) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0 USER MOD Single : B 4 SER OG : rot 180:sc= -0.0727 USER MOD Single : B 5 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 MET CE :methyl -173:sc= -0.399 (180deg=-0.417) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 SER OG : rot -96:sc= 0.677 USER MOD Single : B 32 LYS NZ :NH3+ -138:sc= 0.718 (180deg=-1.32!) USER MOD Single : B 33 LYS NZ :NH3+ -115:sc= 0.316 (180deg=0) USER MOD Single : B 41 LYS NZ :NH3+ 164:sc= 0.273 (180deg=0.205) USER MOD Single : B 48 GLN : amide:sc= -0.203 K(o=-0.2,f=-1.3!) USER MOD Single : B 53 LYS NZ :NH3+ -165:sc= 0.966 (180deg=0.633) USER MOD Single : B 64 LYS NZ :NH3+ 161:sc= -0.0609 (180deg=-0.472) USER MOD Single : B 66 THR OG1 : rot 97:sc= 0.811 USER MOD Single : B 67 CYS SG : rot -66:sc= 1.03 USER MOD Single : B 70 ASN : amide:sc=-0.00465 X(o=-0.0046,f=0) USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 73 GLN : amide:sc= -0.911! K(o=-0.91!,f=-1.7) USER MOD Single : B 74 SER OG : rot 109:sc= -1 USER MOD Single : B 77 CYS SG : rot -20:sc= -1.44 USER MOD Single : B 80 CYS SG : rot 83:sc= -0.739 USER MOD Single : B 85 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 119.802 -9.641 14.297 1.00 3.75 N ATOM 2 CA MET A 1 120.089 -8.996 12.984 1.00 3.27 C ATOM 3 C MET A 1 120.312 -10.075 11.922 1.00 2.28 C ATOM 4 O MET A 1 121.416 -10.537 11.720 1.00 2.68 O ATOM 5 CB MET A 1 121.351 -8.139 13.111 1.00 3.76 C ATOM 6 CG MET A 1 121.055 -6.919 13.985 1.00 4.33 C ATOM 7 SD MET A 1 122.550 -5.909 14.136 1.00 5.05 S ATOM 8 CE MET A 1 123.523 -7.070 15.131 1.00 5.68 C ATOM 0 H1 MET A 1 119.374 -8.944 14.940 1.00 3.75 H new ATOM 0 H2 MET A 1 119.144 -10.434 14.158 1.00 3.75 H new ATOM 0 H3 MET A 1 120.688 -9.995 14.711 1.00 3.75 H new ATOM 0 HA MET A 1 119.246 -8.370 12.692 1.00 3.27 H new ATOM 0 HB2 MET A 1 122.159 -8.725 13.549 1.00 3.76 H new ATOM 0 HB3 MET A 1 121.687 -7.820 12.125 1.00 3.76 H new ATOM 0 HG2 MET A 1 120.249 -6.331 13.547 1.00 4.33 H new ATOM 0 HG3 MET A 1 120.717 -7.238 14.971 1.00 4.33 H new ATOM 0 HE1 MET A 1 124.234 -6.516 15.744 1.00 5.68 H new ATOM 0 HE2 MET A 1 122.857 -7.643 15.776 1.00 5.68 H new ATOM 0 HE3 MET A 1 124.064 -7.749 14.472 1.00 5.68 H new ATOM 20 N THR A 2 119.273 -10.481 11.240 1.00 1.63 N ATOM 21 CA THR A 2 119.436 -11.533 10.193 1.00 1.44 C ATOM 22 C THR A 2 119.834 -10.877 8.870 1.00 1.17 C ATOM 23 O THR A 2 119.047 -10.197 8.243 1.00 1.22 O ATOM 24 CB THR A 2 118.113 -12.278 10.002 1.00 2.22 C ATOM 25 OG1 THR A 2 117.721 -12.872 11.231 1.00 2.76 O ATOM 26 CG2 THR A 2 118.290 -13.365 8.940 1.00 3.02 C ATOM 0 H THR A 2 118.323 -10.131 11.362 1.00 1.63 H new ATOM 0 HA THR A 2 120.210 -12.234 10.506 1.00 1.44 H new ATOM 0 HB THR A 2 117.344 -11.577 9.679 1.00 2.22 H new ATOM 0 HG1 THR A 2 116.873 -13.348 11.109 1.00 2.76 H new ATOM 0 HG21 THR A 2 117.348 -13.897 8.803 1.00 3.02 H new ATOM 0 HG22 THR A 2 118.589 -12.907 7.997 1.00 3.02 H new ATOM 0 HG23 THR A 2 119.059 -14.067 9.262 1.00 3.02 H new ATOM 34 N THR A 3 121.053 -11.079 8.440 1.00 0.96 N ATOM 35 CA THR A 3 121.512 -10.475 7.152 1.00 0.75 C ATOM 36 C THR A 3 121.426 -11.525 6.043 1.00 0.69 C ATOM 37 O THR A 3 121.307 -12.706 6.302 1.00 0.74 O ATOM 38 CB THR A 3 122.961 -10.004 7.300 1.00 0.68 C ATOM 39 OG1 THR A 3 123.790 -11.116 7.609 1.00 0.79 O ATOM 40 CG2 THR A 3 123.049 -8.973 8.426 1.00 0.75 C ATOM 0 H THR A 3 121.753 -11.638 8.927 1.00 0.96 H new ATOM 0 HA THR A 3 120.879 -9.625 6.899 1.00 0.75 H new ATOM 0 HB THR A 3 123.294 -9.551 6.366 1.00 0.68 H new ATOM 0 HG1 THR A 3 124.349 -10.902 8.385 1.00 0.79 H new ATOM 0 HG21 THR A 3 124.081 -8.637 8.532 1.00 0.75 H new ATOM 0 HG22 THR A 3 122.412 -8.121 8.189 1.00 0.75 H new ATOM 0 HG23 THR A 3 122.717 -9.425 9.360 1.00 0.75 H new ATOM 48 N SER A 4 121.489 -11.108 4.809 1.00 0.63 N ATOM 49 CA SER A 4 121.414 -12.086 3.688 1.00 0.61 C ATOM 50 C SER A 4 122.695 -12.920 3.658 1.00 0.60 C ATOM 51 O SER A 4 123.682 -12.598 4.290 1.00 0.57 O ATOM 52 CB SER A 4 121.259 -11.340 2.363 1.00 0.63 C ATOM 53 OG SER A 4 121.100 -12.284 1.312 1.00 1.51 O ATOM 0 H SER A 4 121.589 -10.132 4.528 1.00 0.63 H new ATOM 0 HA SER A 4 120.555 -12.740 3.834 1.00 0.61 H new ATOM 0 HB2 SER A 4 120.396 -10.675 2.405 1.00 0.63 H new ATOM 0 HB3 SER A 4 122.133 -10.716 2.179 1.00 0.63 H new ATOM 0 HG SER A 4 120.998 -11.811 0.460 1.00 1.51 H new ATOM 59 N GLN A 5 122.665 -14.010 2.943 1.00 0.63 N ATOM 60 CA GLN A 5 123.848 -14.912 2.869 1.00 0.64 C ATOM 61 C GLN A 5 125.058 -14.148 2.326 1.00 0.60 C ATOM 62 O GLN A 5 126.191 -14.487 2.609 1.00 0.59 O ATOM 63 CB GLN A 5 123.519 -16.088 1.946 1.00 0.71 C ATOM 64 CG GLN A 5 124.681 -17.081 1.935 1.00 1.34 C ATOM 65 CD GLN A 5 124.304 -18.290 1.076 1.00 1.60 C ATOM 66 OE1 GLN A 5 123.164 -18.436 0.682 1.00 2.09 O ATOM 67 NE2 GLN A 5 125.216 -19.173 0.772 1.00 2.18 N ATOM 0 H GLN A 5 121.859 -14.318 2.399 1.00 0.63 H new ATOM 0 HA GLN A 5 124.088 -15.281 3.866 1.00 0.64 H new ATOM 0 HB2 GLN A 5 122.609 -16.583 2.284 1.00 0.71 H new ATOM 0 HB3 GLN A 5 123.329 -15.726 0.936 1.00 0.71 H new ATOM 0 HG2 GLN A 5 125.578 -16.605 1.539 1.00 1.34 H new ATOM 0 HG3 GLN A 5 124.912 -17.400 2.951 1.00 1.34 H new ATOM 0 HE21 GLN A 5 126.173 -19.052 1.102 1.00 2.18 H new ATOM 0 HE22 GLN A 5 124.971 -19.984 0.204 1.00 2.18 H new ATOM 76 N LYS A 6 124.837 -13.120 1.550 1.00 0.59 N ATOM 77 CA LYS A 6 125.986 -12.348 1.001 1.00 0.57 C ATOM 78 C LYS A 6 126.813 -11.772 2.152 1.00 0.51 C ATOM 79 O LYS A 6 128.021 -11.679 2.074 1.00 0.50 O ATOM 80 CB LYS A 6 125.480 -11.207 0.116 1.00 0.58 C ATOM 81 CG LYS A 6 124.884 -11.790 -1.165 1.00 0.65 C ATOM 82 CD LYS A 6 124.374 -10.657 -2.056 1.00 0.81 C ATOM 83 CE LYS A 6 123.779 -11.246 -3.336 1.00 1.26 C ATOM 84 NZ LYS A 6 123.212 -10.150 -4.170 1.00 2.02 N ATOM 0 H LYS A 6 123.914 -12.784 1.274 1.00 0.59 H new ATOM 0 HA LYS A 6 126.606 -13.015 0.402 1.00 0.57 H new ATOM 0 HB2 LYS A 6 124.728 -10.624 0.648 1.00 0.58 H new ATOM 0 HB3 LYS A 6 126.298 -10.528 -0.126 1.00 0.58 H new ATOM 0 HG2 LYS A 6 125.637 -12.373 -1.696 1.00 0.65 H new ATOM 0 HG3 LYS A 6 124.068 -12.470 -0.921 1.00 0.65 H new ATOM 0 HD2 LYS A 6 123.621 -10.074 -1.526 1.00 0.81 H new ATOM 0 HD3 LYS A 6 125.190 -9.977 -2.301 1.00 0.81 H new ATOM 0 HE2 LYS A 6 124.547 -11.782 -3.894 1.00 1.26 H new ATOM 0 HE3 LYS A 6 123.002 -11.969 -3.089 1.00 1.26 H new ATOM 0 HZ1 LYS A 6 122.807 -10.550 -5.041 1.00 2.02 H new ATOM 0 HZ2 LYS A 6 122.467 -9.657 -3.637 1.00 2.02 H new ATOM 0 HZ3 LYS A 6 123.965 -9.476 -4.416 1.00 2.02 H new ATOM 98 N HIS A 7 126.174 -11.371 3.216 1.00 0.49 N ATOM 99 CA HIS A 7 126.930 -10.789 4.360 1.00 0.45 C ATOM 100 C HIS A 7 127.951 -11.801 4.886 1.00 0.45 C ATOM 101 O HIS A 7 129.112 -11.487 5.057 1.00 0.43 O ATOM 102 CB HIS A 7 125.936 -10.416 5.469 1.00 0.45 C ATOM 103 CG HIS A 7 126.670 -10.041 6.731 1.00 0.42 C ATOM 104 ND1 HIS A 7 127.148 -8.759 6.967 1.00 0.38 N ATOM 105 CD2 HIS A 7 126.998 -10.774 7.845 1.00 0.45 C ATOM 106 CE1 HIS A 7 127.731 -8.761 8.184 1.00 0.38 C ATOM 107 NE2 HIS A 7 127.665 -9.963 8.755 1.00 0.42 N ATOM 0 H HIS A 7 125.163 -11.421 3.343 1.00 0.49 H new ATOM 0 HA HIS A 7 127.467 -9.899 4.032 1.00 0.45 H new ATOM 0 HB2 HIS A 7 125.313 -9.583 5.142 1.00 0.45 H new ATOM 0 HB3 HIS A 7 125.269 -11.255 5.665 1.00 0.45 H new ATOM 0 HD1 HIS A 7 127.072 -7.961 6.336 1.00 0.38 H new ATOM 0 HD2 HIS A 7 126.772 -11.820 7.991 1.00 0.45 H new ATOM 0 HE1 HIS A 7 128.193 -7.897 8.638 1.00 0.38 H new ATOM 115 N ARG A 8 127.535 -13.014 5.145 1.00 0.48 N ATOM 116 CA ARG A 8 128.482 -14.043 5.657 1.00 0.50 C ATOM 117 C ARG A 8 129.463 -14.439 4.551 1.00 0.51 C ATOM 118 O ARG A 8 130.605 -14.756 4.805 1.00 0.51 O ATOM 119 CB ARG A 8 127.693 -15.277 6.105 1.00 0.55 C ATOM 120 CG ARG A 8 126.890 -14.954 7.378 1.00 0.57 C ATOM 121 CD ARG A 8 127.812 -14.874 8.612 1.00 1.00 C ATOM 122 NE ARG A 8 128.322 -13.483 8.762 1.00 1.69 N ATOM 123 CZ ARG A 8 128.862 -13.101 9.887 1.00 2.27 C ATOM 124 NH1 ARG A 8 128.957 -13.937 10.885 1.00 2.42 N ATOM 125 NH2 ARG A 8 129.309 -11.881 10.015 1.00 3.21 N ATOM 0 H ARG A 8 126.575 -13.335 5.022 1.00 0.48 H new ATOM 0 HA ARG A 8 129.038 -13.636 6.501 1.00 0.50 H new ATOM 0 HB2 ARG A 8 127.018 -15.596 5.310 1.00 0.55 H new ATOM 0 HB3 ARG A 8 128.375 -16.106 6.296 1.00 0.55 H new ATOM 0 HG2 ARG A 8 126.366 -14.007 7.250 1.00 0.57 H new ATOM 0 HG3 ARG A 8 126.131 -15.720 7.537 1.00 0.57 H new ATOM 0 HD2 ARG A 8 127.266 -15.171 9.507 1.00 1.00 H new ATOM 0 HD3 ARG A 8 128.645 -15.568 8.502 1.00 1.00 H new ATOM 0 HE ARG A 8 128.249 -12.827 7.984 1.00 1.69 H new ATOM 0 HH11 ARG A 8 128.609 -14.891 10.786 1.00 2.42 H new ATOM 0 HH12 ARG A 8 129.379 -13.637 11.763 1.00 2.42 H new ATOM 0 HH21 ARG A 8 129.236 -11.227 9.236 1.00 3.21 H new ATOM 0 HH22 ARG A 8 129.731 -11.582 10.894 1.00 3.21 H new ATOM 139 N ASP A 9 129.024 -14.424 3.328 1.00 0.52 N ATOM 140 CA ASP A 9 129.938 -14.809 2.212 1.00 0.54 C ATOM 141 C ASP A 9 131.055 -13.777 2.085 1.00 0.49 C ATOM 142 O ASP A 9 132.197 -14.112 1.838 1.00 0.49 O ATOM 143 CB ASP A 9 129.173 -14.861 0.893 1.00 0.61 C ATOM 144 CG ASP A 9 128.217 -16.053 0.895 1.00 0.68 C ATOM 145 OD1 ASP A 9 128.411 -16.944 1.706 1.00 0.67 O ATOM 146 OD2 ASP A 9 127.311 -16.059 0.079 1.00 0.76 O ATOM 0 H ASP A 9 128.078 -14.164 3.049 1.00 0.52 H new ATOM 0 HA ASP A 9 130.355 -15.792 2.431 1.00 0.54 H new ATOM 0 HB2 ASP A 9 128.615 -13.936 0.749 1.00 0.61 H new ATOM 0 HB3 ASP A 9 129.871 -14.945 0.060 1.00 0.61 H new ATOM 151 N PHE A 10 130.737 -12.526 2.235 1.00 0.46 N ATOM 152 CA PHE A 10 131.787 -11.480 2.104 1.00 0.43 C ATOM 153 C PHE A 10 132.848 -11.668 3.199 1.00 0.38 C ATOM 154 O PHE A 10 134.031 -11.662 2.933 1.00 0.36 O ATOM 155 CB PHE A 10 131.121 -10.104 2.242 1.00 0.45 C ATOM 156 CG PHE A 10 132.072 -9.012 1.803 1.00 0.43 C ATOM 157 CD1 PHE A 10 132.379 -8.862 0.445 1.00 0.44 C ATOM 158 CD2 PHE A 10 132.631 -8.141 2.747 1.00 0.43 C ATOM 159 CE1 PHE A 10 133.246 -7.843 0.032 1.00 0.44 C ATOM 160 CE2 PHE A 10 133.500 -7.124 2.332 1.00 0.43 C ATOM 161 CZ PHE A 10 133.806 -6.974 0.975 1.00 0.43 C ATOM 0 H PHE A 10 129.800 -12.181 2.442 1.00 0.46 H new ATOM 0 HA PHE A 10 132.276 -11.557 1.133 1.00 0.43 H new ATOM 0 HB2 PHE A 10 130.214 -10.070 1.638 1.00 0.45 H new ATOM 0 HB3 PHE A 10 130.821 -9.940 3.277 1.00 0.45 H new ATOM 0 HD1 PHE A 10 131.947 -9.532 -0.284 1.00 0.44 H new ATOM 0 HD2 PHE A 10 132.392 -8.254 3.794 1.00 0.43 H new ATOM 0 HE1 PHE A 10 133.483 -7.728 -1.015 1.00 0.44 H new ATOM 0 HE2 PHE A 10 133.934 -6.455 3.060 1.00 0.43 H new ATOM 0 HZ PHE A 10 134.474 -6.188 0.656 1.00 0.43 H new ATOM 171 N VAL A 11 132.430 -11.819 4.430 1.00 0.37 N ATOM 172 CA VAL A 11 133.406 -11.988 5.556 1.00 0.35 C ATOM 173 C VAL A 11 133.781 -13.466 5.773 1.00 0.37 C ATOM 174 O VAL A 11 134.511 -13.787 6.690 1.00 0.38 O ATOM 175 CB VAL A 11 132.772 -11.440 6.835 1.00 0.37 C ATOM 176 CG1 VAL A 11 132.381 -9.975 6.619 1.00 0.44 C ATOM 177 CG2 VAL A 11 131.522 -12.255 7.170 1.00 0.40 C ATOM 0 H VAL A 11 131.449 -11.833 4.708 1.00 0.37 H new ATOM 0 HA VAL A 11 134.318 -11.446 5.305 1.00 0.35 H new ATOM 0 HB VAL A 11 133.485 -11.511 7.657 1.00 0.37 H new ATOM 0 HG11 VAL A 11 131.929 -9.581 7.529 1.00 0.44 H new ATOM 0 HG12 VAL A 11 133.270 -9.393 6.375 1.00 0.44 H new ATOM 0 HG13 VAL A 11 131.666 -9.906 5.799 1.00 0.44 H new ATOM 0 HG21 VAL A 11 131.068 -11.867 8.082 1.00 0.40 H new ATOM 0 HG22 VAL A 11 130.809 -12.181 6.349 1.00 0.40 H new ATOM 0 HG23 VAL A 11 131.797 -13.299 7.318 1.00 0.40 H new ATOM 187 N ALA A 12 133.317 -14.366 4.941 1.00 0.41 N ATOM 188 CA ALA A 12 133.686 -15.814 5.117 1.00 0.48 C ATOM 189 C ALA A 12 134.849 -16.184 4.191 1.00 0.46 C ATOM 190 O ALA A 12 135.528 -17.170 4.397 1.00 0.49 O ATOM 191 CB ALA A 12 132.488 -16.704 4.786 1.00 0.54 C ATOM 0 H ALA A 12 132.703 -14.167 4.151 1.00 0.41 H new ATOM 0 HA ALA A 12 133.984 -15.967 6.154 1.00 0.48 H new ATOM 0 HB1 ALA A 12 132.765 -17.750 4.916 1.00 0.54 H new ATOM 0 HB2 ALA A 12 131.660 -16.462 5.452 1.00 0.54 H new ATOM 0 HB3 ALA A 12 132.184 -16.535 3.753 1.00 0.54 H new ATOM 197 N GLU A 13 135.088 -15.402 3.175 1.00 0.43 N ATOM 198 CA GLU A 13 136.210 -15.707 2.237 1.00 0.43 C ATOM 199 C GLU A 13 136.646 -14.404 1.556 1.00 0.40 C ATOM 200 O GLU A 13 135.846 -13.505 1.392 1.00 0.37 O ATOM 201 CB GLU A 13 135.737 -16.725 1.185 1.00 0.46 C ATOM 202 CG GLU A 13 134.426 -16.258 0.538 1.00 0.48 C ATOM 203 CD GLU A 13 134.705 -15.100 -0.421 1.00 0.61 C ATOM 204 OE1 GLU A 13 135.545 -15.266 -1.291 1.00 1.26 O ATOM 205 OE2 GLU A 13 134.078 -14.066 -0.268 1.00 1.05 O ATOM 0 H GLU A 13 134.554 -14.562 2.952 1.00 0.43 H new ATOM 0 HA GLU A 13 137.053 -16.134 2.781 1.00 0.43 H new ATOM 0 HB2 GLU A 13 136.503 -16.849 0.420 1.00 0.46 H new ATOM 0 HB3 GLU A 13 135.592 -17.699 1.652 1.00 0.46 H new ATOM 0 HG2 GLU A 13 133.961 -17.084 -0.000 1.00 0.48 H new ATOM 0 HG3 GLU A 13 133.722 -15.943 1.308 1.00 0.48 H new ATOM 212 N PRO A 14 137.892 -14.292 1.146 1.00 0.42 N ATOM 213 CA PRO A 14 138.395 -13.068 0.462 1.00 0.40 C ATOM 214 C PRO A 14 137.329 -12.433 -0.438 1.00 0.36 C ATOM 215 O PRO A 14 136.410 -13.089 -0.886 1.00 0.36 O ATOM 216 CB PRO A 14 139.569 -13.601 -0.356 1.00 0.45 C ATOM 217 CG PRO A 14 140.139 -14.705 0.484 1.00 0.49 C ATOM 218 CD PRO A 14 138.962 -15.299 1.286 1.00 0.48 C ATOM 0 HA PRO A 14 138.672 -12.276 1.157 1.00 0.40 H new ATOM 0 HB2 PRO A 14 139.241 -13.970 -1.328 1.00 0.45 H new ATOM 0 HB3 PRO A 14 140.308 -12.822 -0.544 1.00 0.45 H new ATOM 0 HG2 PRO A 14 140.606 -15.466 -0.141 1.00 0.49 H new ATOM 0 HG3 PRO A 14 140.911 -14.324 1.153 1.00 0.49 H new ATOM 0 HD2 PRO A 14 138.655 -16.266 0.888 1.00 0.48 H new ATOM 0 HD3 PRO A 14 139.229 -15.455 2.331 1.00 0.48 H new ATOM 226 N MET A 15 137.433 -11.156 -0.690 1.00 0.35 N ATOM 227 CA MET A 15 136.412 -10.472 -1.544 1.00 0.35 C ATOM 228 C MET A 15 136.838 -10.501 -3.017 1.00 0.36 C ATOM 229 O MET A 15 136.019 -10.408 -3.909 1.00 0.39 O ATOM 230 CB MET A 15 136.232 -9.022 -1.070 1.00 0.37 C ATOM 231 CG MET A 15 137.583 -8.302 -1.019 1.00 0.41 C ATOM 232 SD MET A 15 137.450 -6.857 0.063 1.00 0.57 S ATOM 233 CE MET A 15 136.641 -5.755 -1.117 1.00 0.43 C ATOM 0 H MET A 15 138.180 -10.554 -0.343 1.00 0.35 H new ATOM 0 HA MET A 15 135.462 -10.999 -1.452 1.00 0.35 H new ATOM 0 HB2 MET A 15 135.557 -8.494 -1.744 1.00 0.37 H new ATOM 0 HB3 MET A 15 135.770 -9.011 -0.083 1.00 0.37 H new ATOM 0 HG2 MET A 15 138.354 -8.978 -0.649 1.00 0.41 H new ATOM 0 HG3 MET A 15 137.882 -7.994 -2.021 1.00 0.41 H new ATOM 0 HE1 MET A 15 136.462 -4.788 -0.648 1.00 0.43 H new ATOM 0 HE2 MET A 15 137.281 -5.622 -1.989 1.00 0.43 H new ATOM 0 HE3 MET A 15 135.691 -6.189 -1.428 1.00 0.43 H new ATOM 243 N GLY A 16 138.108 -10.645 -3.283 1.00 0.37 N ATOM 244 CA GLY A 16 138.575 -10.702 -4.700 1.00 0.40 C ATOM 245 C GLY A 16 137.981 -9.548 -5.513 1.00 0.40 C ATOM 246 O GLY A 16 137.966 -8.412 -5.081 1.00 0.38 O ATOM 0 H GLY A 16 138.843 -10.726 -2.581 1.00 0.37 H new ATOM 0 HA2 GLY A 16 139.663 -10.653 -4.732 1.00 0.40 H new ATOM 0 HA3 GLY A 16 138.286 -11.654 -5.145 1.00 0.40 H new ATOM 250 N GLU A 17 137.521 -9.834 -6.711 1.00 0.41 N ATOM 251 CA GLU A 17 136.956 -8.767 -7.601 1.00 0.42 C ATOM 252 C GLU A 17 135.439 -8.925 -7.754 1.00 0.40 C ATOM 253 O GLU A 17 134.875 -8.544 -8.759 1.00 0.40 O ATOM 254 CB GLU A 17 137.604 -8.881 -8.981 1.00 0.47 C ATOM 255 CG GLU A 17 139.071 -8.459 -8.893 1.00 0.52 C ATOM 256 CD GLU A 17 139.728 -8.606 -10.268 1.00 0.57 C ATOM 257 OE1 GLU A 17 139.616 -7.684 -11.058 1.00 0.76 O ATOM 258 OE2 GLU A 17 140.331 -9.640 -10.504 1.00 0.85 O ATOM 0 H GLU A 17 137.513 -10.771 -7.113 1.00 0.41 H new ATOM 0 HA GLU A 17 137.163 -7.795 -7.154 1.00 0.42 H new ATOM 0 HB2 GLU A 17 137.531 -9.906 -9.345 1.00 0.47 H new ATOM 0 HB3 GLU A 17 137.075 -8.250 -9.696 1.00 0.47 H new ATOM 0 HG2 GLU A 17 139.144 -7.426 -8.552 1.00 0.52 H new ATOM 0 HG3 GLU A 17 139.594 -9.074 -8.161 1.00 0.52 H new ATOM 265 N LYS A 18 134.767 -9.477 -6.781 1.00 0.38 N ATOM 266 CA LYS A 18 133.290 -9.630 -6.931 1.00 0.36 C ATOM 267 C LYS A 18 132.694 -8.228 -7.173 1.00 0.32 C ATOM 268 O LYS A 18 133.232 -7.241 -6.711 1.00 0.31 O ATOM 269 CB LYS A 18 132.678 -10.253 -5.661 1.00 0.36 C ATOM 270 CG LYS A 18 132.840 -11.788 -5.662 1.00 0.45 C ATOM 271 CD LYS A 18 134.237 -12.182 -5.174 1.00 1.17 C ATOM 272 CE LYS A 18 134.465 -13.674 -5.433 1.00 1.44 C ATOM 273 NZ LYS A 18 135.876 -14.030 -5.106 1.00 2.01 N ATOM 0 H LYS A 18 135.164 -9.822 -5.907 1.00 0.38 H new ATOM 0 HA LYS A 18 133.065 -10.292 -7.768 1.00 0.36 H new ATOM 0 HB2 LYS A 18 133.160 -9.834 -4.778 1.00 0.36 H new ATOM 0 HB3 LYS A 18 131.621 -9.996 -5.599 1.00 0.36 H new ATOM 0 HG2 LYS A 18 132.084 -12.239 -5.020 1.00 0.45 H new ATOM 0 HG3 LYS A 18 132.677 -12.176 -6.668 1.00 0.45 H new ATOM 0 HD2 LYS A 18 134.994 -11.592 -5.691 1.00 1.17 H new ATOM 0 HD3 LYS A 18 134.336 -11.967 -4.110 1.00 1.17 H new ATOM 0 HE2 LYS A 18 133.780 -14.267 -4.827 1.00 1.44 H new ATOM 0 HE3 LYS A 18 134.253 -13.909 -6.476 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 136.028 -15.044 -5.283 1.00 2.01 H new ATOM 0 HZ2 LYS A 18 136.521 -13.474 -5.702 1.00 2.01 H new ATOM 0 HZ3 LYS A 18 136.064 -13.821 -4.105 1.00 2.01 H new ATOM 287 N PRO A 19 131.618 -8.132 -7.926 1.00 0.31 N ATOM 288 CA PRO A 19 130.984 -6.815 -8.267 1.00 0.29 C ATOM 289 C PRO A 19 130.558 -6.010 -7.029 1.00 0.25 C ATOM 290 O PRO A 19 130.392 -6.542 -5.949 1.00 0.24 O ATOM 291 CB PRO A 19 129.764 -7.200 -9.133 1.00 0.32 C ATOM 292 CG PRO A 19 129.517 -8.649 -8.846 1.00 0.33 C ATOM 293 CD PRO A 19 130.880 -9.254 -8.529 1.00 0.34 C ATOM 0 HA PRO A 19 131.686 -6.158 -8.781 1.00 0.29 H new ATOM 0 HB2 PRO A 19 128.894 -6.595 -8.878 1.00 0.32 H new ATOM 0 HB3 PRO A 19 129.966 -7.038 -10.192 1.00 0.32 H new ATOM 0 HG2 PRO A 19 128.832 -8.769 -8.006 1.00 0.33 H new ATOM 0 HG3 PRO A 19 129.060 -9.144 -9.703 1.00 0.33 H new ATOM 0 HD2 PRO A 19 130.796 -10.096 -7.842 1.00 0.34 H new ATOM 0 HD3 PRO A 19 131.374 -9.624 -9.427 1.00 0.34 H new ATOM 301 N VAL A 20 130.392 -4.721 -7.191 1.00 0.25 N ATOM 302 CA VAL A 20 129.987 -3.856 -6.046 1.00 0.23 C ATOM 303 C VAL A 20 128.641 -4.312 -5.477 1.00 0.21 C ATOM 304 O VAL A 20 128.473 -4.461 -4.283 1.00 0.23 O ATOM 305 CB VAL A 20 129.892 -2.393 -6.509 1.00 0.27 C ATOM 306 CG1 VAL A 20 128.979 -2.282 -7.734 1.00 0.32 C ATOM 307 CG2 VAL A 20 129.325 -1.532 -5.376 1.00 0.29 C ATOM 0 H VAL A 20 130.521 -4.229 -8.075 1.00 0.25 H new ATOM 0 HA VAL A 20 130.740 -3.939 -5.262 1.00 0.23 H new ATOM 0 HB VAL A 20 130.890 -2.043 -6.775 1.00 0.27 H new ATOM 0 HG11 VAL A 20 128.921 -1.241 -8.051 1.00 0.32 H new ATOM 0 HG12 VAL A 20 129.384 -2.886 -8.546 1.00 0.32 H new ATOM 0 HG13 VAL A 20 127.982 -2.640 -7.478 1.00 0.32 H new ATOM 0 HG21 VAL A 20 129.258 -0.495 -5.705 1.00 0.29 H new ATOM 0 HG22 VAL A 20 128.332 -1.892 -5.107 1.00 0.29 H new ATOM 0 HG23 VAL A 20 129.981 -1.595 -4.508 1.00 0.29 H new ATOM 317 N GLY A 21 127.674 -4.518 -6.332 1.00 0.23 N ATOM 318 CA GLY A 21 126.325 -4.945 -5.861 1.00 0.21 C ATOM 319 C GLY A 21 126.438 -6.183 -4.967 1.00 0.20 C ATOM 320 O GLY A 21 125.452 -6.672 -4.452 1.00 0.19 O ATOM 0 H GLY A 21 127.762 -4.408 -7.342 1.00 0.23 H new ATOM 0 HA2 GLY A 21 125.852 -4.133 -5.310 1.00 0.21 H new ATOM 0 HA3 GLY A 21 125.687 -5.164 -6.717 1.00 0.21 H new ATOM 324 N SER A 22 127.622 -6.701 -4.773 1.00 0.20 N ATOM 325 CA SER A 22 127.779 -7.908 -3.912 1.00 0.20 C ATOM 326 C SER A 22 127.848 -7.495 -2.441 1.00 0.19 C ATOM 327 O SER A 22 127.523 -8.261 -1.554 1.00 0.20 O ATOM 328 CB SER A 22 129.082 -8.609 -4.284 1.00 0.23 C ATOM 329 OG SER A 22 130.161 -7.987 -3.599 1.00 1.24 O ATOM 0 H SER A 22 128.487 -6.340 -5.174 1.00 0.20 H new ATOM 0 HA SER A 22 126.928 -8.573 -4.063 1.00 0.20 H new ATOM 0 HB2 SER A 22 129.029 -9.665 -4.020 1.00 0.23 H new ATOM 0 HB3 SER A 22 129.242 -8.558 -5.361 1.00 0.23 H new ATOM 0 HG SER A 22 130.591 -7.334 -4.190 1.00 1.24 H new ATOM 335 N LEU A 23 128.287 -6.300 -2.174 1.00 0.17 N ATOM 336 CA LEU A 23 128.402 -5.844 -0.757 1.00 0.18 C ATOM 337 C LEU A 23 127.032 -5.864 -0.081 1.00 0.18 C ATOM 338 O LEU A 23 126.032 -5.463 -0.644 1.00 0.17 O ATOM 339 CB LEU A 23 128.971 -4.426 -0.718 1.00 0.18 C ATOM 340 CG LEU A 23 130.358 -4.406 -1.370 1.00 0.21 C ATOM 341 CD1 LEU A 23 130.876 -2.967 -1.407 1.00 0.23 C ATOM 342 CD2 LEU A 23 131.336 -5.290 -0.567 1.00 0.24 C ATOM 0 H LEU A 23 128.573 -5.616 -2.874 1.00 0.17 H new ATOM 0 HA LEU A 23 129.070 -6.520 -0.223 1.00 0.18 H new ATOM 0 HB2 LEU A 23 128.303 -3.742 -1.241 1.00 0.18 H new ATOM 0 HB3 LEU A 23 129.039 -4.079 0.313 1.00 0.18 H new ATOM 0 HG LEU A 23 130.284 -4.797 -2.385 1.00 0.21 H new ATOM 0 HD11 LEU A 23 131.863 -2.947 -1.870 1.00 0.23 H new ATOM 0 HD12 LEU A 23 130.191 -2.348 -1.987 1.00 0.23 H new ATOM 0 HD13 LEU A 23 130.944 -2.579 -0.391 1.00 0.23 H new ATOM 0 HD21 LEU A 23 132.318 -5.268 -1.040 1.00 0.24 H new ATOM 0 HD22 LEU A 23 131.415 -4.912 0.452 1.00 0.24 H new ATOM 0 HD23 LEU A 23 130.966 -6.315 -0.546 1.00 0.24 H new ATOM 354 N ALA A 24 126.995 -6.335 1.131 1.00 0.18 N ATOM 355 CA ALA A 24 125.707 -6.397 1.874 1.00 0.19 C ATOM 356 C ALA A 24 125.187 -4.984 2.151 1.00 0.20 C ATOM 357 O ALA A 24 125.908 -4.112 2.592 1.00 0.20 O ATOM 358 CB ALA A 24 125.918 -7.132 3.197 1.00 0.21 C ATOM 0 H ALA A 24 127.806 -6.682 1.643 1.00 0.18 H new ATOM 0 HA ALA A 24 124.974 -6.931 1.269 1.00 0.19 H new ATOM 0 HB1 ALA A 24 124.975 -7.178 3.742 1.00 0.21 H new ATOM 0 HB2 ALA A 24 126.272 -8.144 2.999 1.00 0.21 H new ATOM 0 HB3 ALA A 24 126.657 -6.599 3.795 1.00 0.21 H new ATOM 364 N GLY A 25 123.930 -4.766 1.879 1.00 0.20 N ATOM 365 CA GLY A 25 123.324 -3.416 2.101 1.00 0.21 C ATOM 366 C GLY A 25 123.255 -2.676 0.766 1.00 0.21 C ATOM 367 O GLY A 25 122.517 -1.725 0.609 1.00 0.22 O ATOM 0 H GLY A 25 123.289 -5.468 1.510 1.00 0.20 H new ATOM 0 HA2 GLY A 25 122.326 -3.517 2.528 1.00 0.21 H new ATOM 0 HA3 GLY A 25 123.920 -2.849 2.816 1.00 0.21 H new ATOM 371 N ILE A 26 124.012 -3.117 -0.205 1.00 0.20 N ATOM 372 CA ILE A 26 123.986 -2.462 -1.549 1.00 0.21 C ATOM 373 C ILE A 26 123.144 -3.333 -2.477 1.00 0.23 C ATOM 374 O ILE A 26 123.510 -4.451 -2.781 1.00 0.25 O ATOM 375 CB ILE A 26 125.410 -2.360 -2.105 1.00 0.22 C ATOM 376 CG1 ILE A 26 126.326 -1.660 -1.090 1.00 0.22 C ATOM 377 CG2 ILE A 26 125.390 -1.564 -3.410 1.00 0.25 C ATOM 378 CD1 ILE A 26 125.710 -0.331 -0.639 1.00 0.24 C ATOM 0 H ILE A 26 124.651 -3.908 -0.125 1.00 0.20 H new ATOM 0 HA ILE A 26 123.566 -1.459 -1.472 1.00 0.21 H new ATOM 0 HB ILE A 26 125.792 -3.364 -2.293 1.00 0.22 H new ATOM 0 HG12 ILE A 26 126.483 -2.306 -0.227 1.00 0.22 H new ATOM 0 HG13 ILE A 26 127.304 -1.481 -1.537 1.00 0.22 H new ATOM 0 HG21 ILE A 26 126.403 -1.490 -3.807 1.00 0.25 H new ATOM 0 HG22 ILE A 26 124.752 -2.070 -4.135 1.00 0.25 H new ATOM 0 HG23 ILE A 26 125.001 -0.564 -3.220 1.00 0.25 H new ATOM 0 HD11 ILE A 26 126.372 0.152 0.080 1.00 0.24 H new ATOM 0 HD12 ILE A 26 125.576 0.320 -1.503 1.00 0.24 H new ATOM 0 HD13 ILE A 26 124.743 -0.518 -0.173 1.00 0.24 H new ATOM 390 N GLY A 27 122.021 -2.849 -2.938 1.00 0.24 N ATOM 391 CA GLY A 27 121.176 -3.673 -3.850 1.00 0.28 C ATOM 392 C GLY A 27 121.535 -3.356 -5.302 1.00 0.28 C ATOM 393 O GLY A 27 122.370 -2.517 -5.577 1.00 0.27 O ATOM 0 H GLY A 27 121.654 -1.922 -2.723 1.00 0.24 H new ATOM 0 HA2 GLY A 27 121.332 -4.733 -3.649 1.00 0.28 H new ATOM 0 HA3 GLY A 27 120.121 -3.466 -3.672 1.00 0.28 H new ATOM 397 N GLU A 28 120.920 -4.028 -6.232 1.00 0.30 N ATOM 398 CA GLU A 28 121.241 -3.766 -7.663 1.00 0.32 C ATOM 399 C GLU A 28 120.966 -2.297 -7.987 1.00 0.32 C ATOM 400 O GLU A 28 121.714 -1.662 -8.702 1.00 0.34 O ATOM 401 CB GLU A 28 120.381 -4.658 -8.559 1.00 0.36 C ATOM 402 CG GLU A 28 120.834 -6.114 -8.420 1.00 0.39 C ATOM 403 CD GLU A 28 122.221 -6.285 -9.043 1.00 1.28 C ATOM 404 OE1 GLU A 28 122.565 -5.492 -9.903 1.00 2.01 O ATOM 405 OE2 GLU A 28 122.917 -7.205 -8.647 1.00 1.65 O ATOM 0 H GLU A 28 120.213 -4.744 -6.066 1.00 0.30 H new ATOM 0 HA GLU A 28 122.293 -3.987 -7.842 1.00 0.32 H new ATOM 0 HB2 GLU A 28 119.331 -4.565 -8.282 1.00 0.36 H new ATOM 0 HB3 GLU A 28 120.466 -4.338 -9.597 1.00 0.36 H new ATOM 0 HG2 GLU A 28 120.860 -6.398 -7.368 1.00 0.39 H new ATOM 0 HG3 GLU A 28 120.120 -6.775 -8.911 1.00 0.39 H new ATOM 412 N VAL A 29 119.900 -1.748 -7.472 1.00 0.31 N ATOM 413 CA VAL A 29 119.597 -0.318 -7.760 1.00 0.33 C ATOM 414 C VAL A 29 120.671 0.567 -7.126 1.00 0.33 C ATOM 415 O VAL A 29 121.220 1.443 -7.765 1.00 0.35 O ATOM 416 CB VAL A 29 118.215 0.041 -7.202 1.00 0.34 C ATOM 417 CG1 VAL A 29 118.005 1.558 -7.258 1.00 0.38 C ATOM 418 CG2 VAL A 29 117.137 -0.645 -8.046 1.00 0.35 C ATOM 0 H VAL A 29 119.230 -2.224 -6.868 1.00 0.31 H new ATOM 0 HA VAL A 29 119.592 -0.155 -8.838 1.00 0.33 H new ATOM 0 HB VAL A 29 118.149 -0.294 -6.167 1.00 0.34 H new ATOM 0 HG11 VAL A 29 117.021 1.804 -6.860 1.00 0.38 H new ATOM 0 HG12 VAL A 29 118.772 2.054 -6.663 1.00 0.38 H new ATOM 0 HG13 VAL A 29 118.073 1.897 -8.292 1.00 0.38 H new ATOM 0 HG21 VAL A 29 116.152 -0.393 -7.653 1.00 0.35 H new ATOM 0 HG22 VAL A 29 117.213 -0.306 -9.079 1.00 0.35 H new ATOM 0 HG23 VAL A 29 117.277 -1.725 -8.007 1.00 0.35 H new ATOM 428 N LEU A 30 120.976 0.348 -5.877 1.00 0.32 N ATOM 429 CA LEU A 30 122.015 1.180 -5.209 1.00 0.32 C ATOM 430 C LEU A 30 123.379 0.863 -5.816 1.00 0.32 C ATOM 431 O LEU A 30 124.190 1.739 -6.038 1.00 0.33 O ATOM 432 CB LEU A 30 122.042 0.878 -3.707 1.00 0.32 C ATOM 433 CG LEU A 30 120.699 1.253 -3.063 1.00 0.35 C ATOM 434 CD1 LEU A 30 120.742 0.889 -1.575 1.00 0.36 C ATOM 435 CD2 LEU A 30 120.436 2.764 -3.218 1.00 0.40 C ATOM 0 H LEU A 30 120.551 -0.370 -5.291 1.00 0.32 H new ATOM 0 HA LEU A 30 121.781 2.234 -5.356 1.00 0.32 H new ATOM 0 HB2 LEU A 30 122.247 -0.180 -3.546 1.00 0.32 H new ATOM 0 HB3 LEU A 30 122.849 1.435 -3.232 1.00 0.32 H new ATOM 0 HG LEU A 30 119.896 0.706 -3.558 1.00 0.35 H new ATOM 0 HD11 LEU A 30 119.792 1.152 -1.109 1.00 0.36 H new ATOM 0 HD12 LEU A 30 120.915 -0.182 -1.467 1.00 0.36 H new ATOM 0 HD13 LEU A 30 121.549 1.438 -1.089 1.00 0.36 H new ATOM 0 HD21 LEU A 30 119.481 3.016 -2.757 1.00 0.40 H new ATOM 0 HD22 LEU A 30 121.234 3.324 -2.730 1.00 0.40 H new ATOM 0 HD23 LEU A 30 120.407 3.022 -4.277 1.00 0.40 H new ATOM 447 N GLY A 31 123.635 -0.383 -6.090 1.00 0.33 N ATOM 448 CA GLY A 31 124.944 -0.750 -6.688 1.00 0.34 C ATOM 449 C GLY A 31 125.107 -0.028 -8.024 1.00 0.35 C ATOM 450 O GLY A 31 126.172 0.440 -8.359 1.00 0.35 O ATOM 0 H GLY A 31 122.996 -1.161 -5.926 1.00 0.33 H new ATOM 0 HA2 GLY A 31 125.755 -0.477 -6.013 1.00 0.34 H new ATOM 0 HA3 GLY A 31 125.000 -1.829 -6.835 1.00 0.34 H new ATOM 454 N LYS A 32 124.055 0.060 -8.792 1.00 0.35 N ATOM 455 CA LYS A 32 124.147 0.739 -10.118 1.00 0.37 C ATOM 456 C LYS A 32 124.544 2.212 -9.949 1.00 0.36 C ATOM 457 O LYS A 32 125.308 2.741 -10.731 1.00 0.38 O ATOM 458 CB LYS A 32 122.778 0.645 -10.807 1.00 0.39 C ATOM 459 CG LYS A 32 122.839 1.224 -12.245 1.00 1.18 C ATOM 460 CD LYS A 32 122.340 2.678 -12.272 1.00 1.37 C ATOM 461 CE LYS A 32 122.199 3.138 -13.724 1.00 2.06 C ATOM 462 NZ LYS A 32 121.623 4.511 -13.754 1.00 2.74 N ATOM 0 H LYS A 32 123.133 -0.310 -8.558 1.00 0.35 H new ATOM 0 HA LYS A 32 124.911 0.251 -10.723 1.00 0.37 H new ATOM 0 HB2 LYS A 32 122.456 -0.396 -10.843 1.00 0.39 H new ATOM 0 HB3 LYS A 32 122.035 1.188 -10.223 1.00 0.39 H new ATOM 0 HG2 LYS A 32 123.863 1.180 -12.616 1.00 1.18 H new ATOM 0 HG3 LYS A 32 122.231 0.614 -12.913 1.00 1.18 H new ATOM 0 HD2 LYS A 32 121.381 2.755 -11.760 1.00 1.37 H new ATOM 0 HD3 LYS A 32 123.038 3.324 -11.740 1.00 1.37 H new ATOM 0 HE2 LYS A 32 123.172 3.129 -14.216 1.00 2.06 H new ATOM 0 HE3 LYS A 32 121.557 2.450 -14.274 1.00 2.06 H new ATOM 0 HZ1 LYS A 32 120.832 4.541 -14.428 1.00 2.74 H new ATOM 0 HZ2 LYS A 32 121.280 4.764 -12.806 1.00 2.74 H new ATOM 0 HZ3 LYS A 32 122.355 5.188 -14.049 1.00 2.74 H new ATOM 476 N LYS A 33 124.023 2.890 -8.964 1.00 0.35 N ATOM 477 CA LYS A 33 124.378 4.333 -8.808 1.00 0.36 C ATOM 478 C LYS A 33 125.859 4.471 -8.433 1.00 0.34 C ATOM 479 O LYS A 33 126.551 5.337 -8.929 1.00 0.36 O ATOM 480 CB LYS A 33 123.514 4.950 -7.710 1.00 0.36 C ATOM 481 CG LYS A 33 122.066 5.040 -8.196 1.00 0.39 C ATOM 482 CD LYS A 33 121.196 5.657 -7.101 1.00 0.64 C ATOM 483 CE LYS A 33 119.750 5.746 -7.592 1.00 0.65 C ATOM 484 NZ LYS A 33 118.880 6.237 -6.486 1.00 1.54 N ATOM 0 H LYS A 33 123.376 2.517 -8.269 1.00 0.35 H new ATOM 0 HA LYS A 33 124.200 4.851 -9.751 1.00 0.36 H new ATOM 0 HB2 LYS A 33 123.569 4.345 -6.805 1.00 0.36 H new ATOM 0 HB3 LYS A 33 123.886 5.942 -7.453 1.00 0.36 H new ATOM 0 HG2 LYS A 33 122.012 5.645 -9.101 1.00 0.39 H new ATOM 0 HG3 LYS A 33 121.696 4.048 -8.453 1.00 0.39 H new ATOM 0 HD2 LYS A 33 121.248 5.052 -6.196 1.00 0.64 H new ATOM 0 HD3 LYS A 33 121.566 6.649 -6.843 1.00 0.64 H new ATOM 0 HE2 LYS A 33 119.685 6.420 -8.446 1.00 0.65 H new ATOM 0 HE3 LYS A 33 119.409 4.768 -7.931 1.00 0.65 H new ATOM 0 HZ1 LYS A 33 118.218 5.485 -6.205 1.00 1.54 H new ATOM 0 HZ2 LYS A 33 119.470 6.501 -5.671 1.00 1.54 H new ATOM 0 HZ3 LYS A 33 118.344 7.067 -6.809 1.00 1.54 H new ATOM 498 N LEU A 34 126.360 3.617 -7.584 1.00 0.32 N ATOM 499 CA LEU A 34 127.804 3.701 -7.213 1.00 0.31 C ATOM 500 C LEU A 34 128.653 3.512 -8.476 1.00 0.31 C ATOM 501 O LEU A 34 129.680 4.136 -8.650 1.00 0.33 O ATOM 502 CB LEU A 34 128.142 2.621 -6.179 1.00 0.29 C ATOM 503 CG LEU A 34 127.484 2.951 -4.828 1.00 0.30 C ATOM 504 CD1 LEU A 34 127.505 1.703 -3.942 1.00 0.30 C ATOM 505 CD2 LEU A 34 128.250 4.088 -4.116 1.00 0.34 C ATOM 0 H LEU A 34 125.836 2.867 -7.132 1.00 0.32 H new ATOM 0 HA LEU A 34 128.017 4.676 -6.775 1.00 0.31 H new ATOM 0 HB2 LEU A 34 127.797 1.649 -6.532 1.00 0.29 H new ATOM 0 HB3 LEU A 34 129.223 2.550 -6.057 1.00 0.29 H new ATOM 0 HG LEU A 34 126.458 3.273 -5.005 1.00 0.30 H new ATOM 0 HD11 LEU A 34 127.040 1.930 -2.983 1.00 0.30 H new ATOM 0 HD12 LEU A 34 126.954 0.900 -4.431 1.00 0.30 H new ATOM 0 HD13 LEU A 34 128.536 1.389 -3.780 1.00 0.30 H new ATOM 0 HD21 LEU A 34 127.771 4.308 -3.162 1.00 0.34 H new ATOM 0 HD22 LEU A 34 129.280 3.779 -3.941 1.00 0.34 H new ATOM 0 HD23 LEU A 34 128.240 4.981 -4.741 1.00 0.34 H new ATOM 517 N GLU A 35 128.229 2.640 -9.345 1.00 0.32 N ATOM 518 CA GLU A 35 129.022 2.397 -10.588 1.00 0.34 C ATOM 519 C GLU A 35 129.128 3.704 -11.374 1.00 0.37 C ATOM 520 O GLU A 35 130.168 4.038 -11.907 1.00 0.39 O ATOM 521 CB GLU A 35 128.320 1.352 -11.459 1.00 0.35 C ATOM 522 CG GLU A 35 128.371 -0.017 -10.780 1.00 0.93 C ATOM 523 CD GLU A 35 127.634 -1.039 -11.646 1.00 1.02 C ATOM 524 OE1 GLU A 35 127.148 -0.654 -12.698 1.00 1.67 O ATOM 525 OE2 GLU A 35 127.566 -2.188 -11.244 1.00 1.36 O ATOM 0 H GLU A 35 127.376 2.088 -9.254 1.00 0.32 H new ATOM 0 HA GLU A 35 130.014 2.036 -10.317 1.00 0.34 H new ATOM 0 HB2 GLU A 35 127.284 1.645 -11.628 1.00 0.35 H new ATOM 0 HB3 GLU A 35 128.800 1.300 -12.436 1.00 0.35 H new ATOM 0 HG2 GLU A 35 129.406 -0.325 -10.635 1.00 0.93 H new ATOM 0 HG3 GLU A 35 127.913 0.037 -9.792 1.00 0.93 H new ATOM 532 N GLU A 36 128.064 4.454 -11.433 1.00 0.39 N ATOM 533 CA GLU A 36 128.101 5.750 -12.166 1.00 0.43 C ATOM 534 C GLU A 36 129.009 6.717 -11.411 1.00 0.45 C ATOM 535 O GLU A 36 129.459 7.712 -11.945 1.00 0.49 O ATOM 536 CB GLU A 36 126.693 6.340 -12.264 1.00 0.45 C ATOM 537 CG GLU A 36 125.849 5.496 -13.220 1.00 1.12 C ATOM 538 CD GLU A 36 124.442 6.088 -13.313 1.00 1.39 C ATOM 539 OE1 GLU A 36 124.138 6.970 -12.526 1.00 1.86 O ATOM 540 OE2 GLU A 36 123.697 5.659 -14.179 1.00 2.00 O ATOM 0 H GLU A 36 127.167 4.225 -11.004 1.00 0.39 H new ATOM 0 HA GLU A 36 128.484 5.587 -13.174 1.00 0.43 H new ATOM 0 HB2 GLU A 36 126.229 6.365 -11.278 1.00 0.45 H new ATOM 0 HB3 GLU A 36 126.743 7.369 -12.619 1.00 0.45 H new ATOM 0 HG2 GLU A 36 126.311 5.472 -14.207 1.00 1.12 H new ATOM 0 HG3 GLU A 36 125.800 4.466 -12.866 1.00 1.12 H new ATOM 547 N ARG A 37 129.266 6.439 -10.163 1.00 0.42 N ATOM 548 CA ARG A 37 130.130 7.351 -9.359 1.00 0.45 C ATOM 549 C ARG A 37 131.597 6.924 -9.485 1.00 0.42 C ATOM 550 O ARG A 37 132.473 7.539 -8.912 1.00 0.43 O ATOM 551 CB ARG A 37 129.699 7.304 -7.886 1.00 0.45 C ATOM 552 CG ARG A 37 128.325 7.971 -7.704 1.00 0.53 C ATOM 553 CD ARG A 37 128.463 9.501 -7.638 1.00 0.86 C ATOM 554 NE ARG A 37 129.410 9.872 -6.547 1.00 1.42 N ATOM 555 CZ ARG A 37 129.891 11.084 -6.483 1.00 1.88 C ATOM 556 NH1 ARG A 37 129.557 11.969 -7.384 1.00 2.15 N ATOM 557 NH2 ARG A 37 130.707 11.412 -5.519 1.00 2.69 N ATOM 0 H ARG A 37 128.916 5.621 -9.665 1.00 0.42 H new ATOM 0 HA ARG A 37 130.023 8.369 -9.733 1.00 0.45 H new ATOM 0 HB2 ARG A 37 129.655 6.269 -7.547 1.00 0.45 H new ATOM 0 HB3 ARG A 37 130.440 7.811 -7.268 1.00 0.45 H new ATOM 0 HG2 ARG A 37 127.670 7.696 -8.531 1.00 0.53 H new ATOM 0 HG3 ARG A 37 127.856 7.604 -6.791 1.00 0.53 H new ATOM 0 HD2 ARG A 37 128.823 9.885 -8.592 1.00 0.86 H new ATOM 0 HD3 ARG A 37 127.489 9.957 -7.458 1.00 0.86 H new ATOM 0 HE ARG A 37 129.682 9.178 -5.850 1.00 1.42 H new ATOM 0 HH11 ARG A 37 128.920 11.713 -8.138 1.00 2.15 H new ATOM 0 HH12 ARG A 37 129.933 12.916 -7.333 1.00 2.15 H new ATOM 0 HH21 ARG A 37 130.969 10.721 -4.816 1.00 2.69 H new ATOM 0 HH22 ARG A 37 131.083 12.359 -5.469 1.00 2.69 H new ATOM 571 N GLY A 38 131.882 5.904 -10.268 1.00 0.40 N ATOM 572 CA GLY A 38 133.309 5.481 -10.471 1.00 0.39 C ATOM 573 C GLY A 38 133.651 4.206 -9.692 1.00 0.37 C ATOM 574 O GLY A 38 134.789 3.780 -9.686 1.00 0.48 O ATOM 0 H GLY A 38 131.191 5.349 -10.773 1.00 0.40 H new ATOM 0 HA2 GLY A 38 133.490 5.315 -11.533 1.00 0.39 H new ATOM 0 HA3 GLY A 38 133.973 6.286 -10.157 1.00 0.39 H new ATOM 578 N PHE A 39 132.699 3.579 -9.047 1.00 0.31 N ATOM 579 CA PHE A 39 133.004 2.320 -8.289 1.00 0.28 C ATOM 580 C PHE A 39 132.477 1.119 -9.078 1.00 0.28 C ATOM 581 O PHE A 39 131.436 0.573 -8.772 1.00 0.28 O ATOM 582 CB PHE A 39 132.300 2.362 -6.935 1.00 0.27 C ATOM 583 CG PHE A 39 132.745 3.579 -6.162 1.00 0.28 C ATOM 584 CD1 PHE A 39 132.217 4.833 -6.474 1.00 0.31 C ATOM 585 CD2 PHE A 39 133.677 3.452 -5.127 1.00 0.28 C ATOM 586 CE1 PHE A 39 132.621 5.964 -5.754 1.00 0.33 C ATOM 587 CE2 PHE A 39 134.084 4.581 -4.406 1.00 0.30 C ATOM 588 CZ PHE A 39 133.555 5.838 -4.719 1.00 0.32 C ATOM 0 H PHE A 39 131.725 3.881 -9.011 1.00 0.31 H new ATOM 0 HA PHE A 39 134.081 2.233 -8.146 1.00 0.28 H new ATOM 0 HB2 PHE A 39 131.220 2.386 -7.078 1.00 0.27 H new ATOM 0 HB3 PHE A 39 132.527 1.458 -6.369 1.00 0.27 H new ATOM 0 HD1 PHE A 39 131.496 4.931 -7.272 1.00 0.31 H new ATOM 0 HD2 PHE A 39 134.083 2.481 -4.884 1.00 0.28 H new ATOM 0 HE1 PHE A 39 132.212 6.934 -5.997 1.00 0.33 H new ATOM 0 HE2 PHE A 39 134.806 4.482 -3.609 1.00 0.30 H new ATOM 0 HZ PHE A 39 133.867 6.710 -4.163 1.00 0.32 H new ATOM 598 N ASP A 40 133.170 0.724 -10.109 1.00 0.30 N ATOM 599 CA ASP A 40 132.677 -0.419 -10.931 1.00 0.31 C ATOM 600 C ASP A 40 132.914 -1.744 -10.201 1.00 0.29 C ATOM 601 O ASP A 40 132.441 -2.779 -10.628 1.00 0.30 O ATOM 602 CB ASP A 40 133.414 -0.441 -12.273 1.00 0.35 C ATOM 603 CG ASP A 40 134.915 -0.614 -12.035 1.00 0.37 C ATOM 604 OD1 ASP A 40 135.386 -0.168 -11.002 1.00 0.37 O ATOM 605 OD2 ASP A 40 135.566 -1.194 -12.888 1.00 0.41 O ATOM 0 H ASP A 40 134.050 1.138 -10.417 1.00 0.30 H new ATOM 0 HA ASP A 40 131.607 -0.293 -11.099 1.00 0.31 H new ATOM 0 HB2 ASP A 40 133.038 -1.256 -12.892 1.00 0.35 H new ATOM 0 HB3 ASP A 40 133.227 0.485 -12.817 1.00 0.35 H new ATOM 610 N LYS A 41 133.638 -1.731 -9.108 1.00 0.28 N ATOM 611 CA LYS A 41 133.899 -3.004 -8.355 1.00 0.28 C ATOM 612 C LYS A 41 133.801 -2.757 -6.843 1.00 0.23 C ATOM 613 O LYS A 41 133.863 -1.636 -6.375 1.00 0.23 O ATOM 614 CB LYS A 41 135.274 -3.552 -8.748 1.00 0.34 C ATOM 615 CG LYS A 41 135.200 -4.058 -10.196 1.00 0.48 C ATOM 616 CD LYS A 41 136.554 -4.618 -10.632 1.00 0.74 C ATOM 617 CE LYS A 41 136.458 -5.120 -12.074 1.00 0.71 C ATOM 618 NZ LYS A 41 137.746 -5.765 -12.460 1.00 1.56 N ATOM 0 H LYS A 41 134.060 -0.896 -8.703 1.00 0.28 H new ATOM 0 HA LYS A 41 133.145 -3.747 -8.614 1.00 0.28 H new ATOM 0 HB2 LYS A 41 136.032 -2.774 -8.657 1.00 0.34 H new ATOM 0 HB3 LYS A 41 135.565 -4.361 -8.078 1.00 0.34 H new ATOM 0 HG2 LYS A 41 134.435 -4.830 -10.280 1.00 0.48 H new ATOM 0 HG3 LYS A 41 134.905 -3.244 -10.858 1.00 0.48 H new ATOM 0 HD2 LYS A 41 137.320 -3.847 -10.554 1.00 0.74 H new ATOM 0 HD3 LYS A 41 136.853 -5.432 -9.971 1.00 0.74 H new ATOM 0 HE2 LYS A 41 135.639 -5.833 -12.169 1.00 0.71 H new ATOM 0 HE3 LYS A 41 136.238 -4.290 -12.746 1.00 0.71 H new ATOM 0 HZ1 LYS A 41 137.608 -6.324 -13.326 1.00 1.56 H new ATOM 0 HZ2 LYS A 41 138.464 -5.032 -12.631 1.00 1.56 H new ATOM 0 HZ3 LYS A 41 138.065 -6.390 -11.692 1.00 1.56 H new ATOM 632 N ALA A 42 133.603 -3.806 -6.085 1.00 0.21 N ATOM 633 CA ALA A 42 133.442 -3.672 -4.601 1.00 0.20 C ATOM 634 C ALA A 42 134.718 -3.169 -3.915 1.00 0.18 C ATOM 635 O ALA A 42 134.654 -2.372 -2.999 1.00 0.18 O ATOM 636 CB ALA A 42 133.070 -5.038 -4.018 1.00 0.21 C ATOM 0 H ALA A 42 133.545 -4.763 -6.434 1.00 0.21 H new ATOM 0 HA ALA A 42 132.658 -2.937 -4.419 1.00 0.20 H new ATOM 0 HB1 ALA A 42 132.950 -4.952 -2.938 1.00 0.21 H new ATOM 0 HB2 ALA A 42 132.135 -5.380 -4.461 1.00 0.21 H new ATOM 0 HB3 ALA A 42 133.860 -5.756 -4.240 1.00 0.21 H new ATOM 642 N TYR A 43 135.867 -3.647 -4.296 1.00 0.19 N ATOM 643 CA TYR A 43 137.106 -3.205 -3.595 1.00 0.18 C ATOM 644 C TYR A 43 137.266 -1.687 -3.693 1.00 0.17 C ATOM 645 O TYR A 43 137.991 -1.087 -2.926 1.00 0.17 O ATOM 646 CB TYR A 43 138.342 -3.927 -4.153 1.00 0.20 C ATOM 647 CG TYR A 43 138.750 -3.363 -5.494 1.00 0.21 C ATOM 648 CD1 TYR A 43 139.417 -2.134 -5.563 1.00 0.21 C ATOM 649 CD2 TYR A 43 138.482 -4.078 -6.667 1.00 0.24 C ATOM 650 CE1 TYR A 43 139.812 -1.620 -6.800 1.00 0.25 C ATOM 651 CE2 TYR A 43 138.879 -3.564 -7.904 1.00 0.28 C ATOM 652 CZ TYR A 43 139.544 -2.334 -7.972 1.00 0.28 C ATOM 653 OH TYR A 43 139.932 -1.827 -9.195 1.00 0.32 O ATOM 0 H TYR A 43 136.004 -4.317 -5.053 1.00 0.19 H new ATOM 0 HA TYR A 43 137.015 -3.470 -2.542 1.00 0.18 H new ATOM 0 HB2 TYR A 43 139.169 -3.832 -3.450 1.00 0.20 H new ATOM 0 HB3 TYR A 43 138.129 -4.991 -4.253 1.00 0.20 H new ATOM 0 HD1 TYR A 43 139.626 -1.583 -4.658 1.00 0.21 H new ATOM 0 HD2 TYR A 43 137.968 -5.027 -6.616 1.00 0.24 H new ATOM 0 HE1 TYR A 43 140.325 -0.671 -6.851 1.00 0.25 H new ATOM 0 HE2 TYR A 43 138.673 -4.116 -8.809 1.00 0.28 H new ATOM 0 HH TYR A 43 139.670 -2.449 -9.905 1.00 0.32 H new ATOM 663 N VAL A 44 136.585 -1.050 -4.604 1.00 0.18 N ATOM 664 CA VAL A 44 136.701 0.434 -4.702 1.00 0.18 C ATOM 665 C VAL A 44 135.810 1.059 -3.623 1.00 0.17 C ATOM 666 O VAL A 44 136.098 2.101 -3.066 1.00 0.18 O ATOM 667 CB VAL A 44 136.238 0.910 -6.082 1.00 0.20 C ATOM 668 CG1 VAL A 44 136.616 2.382 -6.260 1.00 0.22 C ATOM 669 CG2 VAL A 44 136.917 0.079 -7.176 1.00 0.24 C ATOM 0 H VAL A 44 135.958 -1.487 -5.280 1.00 0.18 H new ATOM 0 HA VAL A 44 137.740 0.732 -4.560 1.00 0.18 H new ATOM 0 HB VAL A 44 135.157 0.791 -6.159 1.00 0.20 H new ATOM 0 HG11 VAL A 44 136.288 2.726 -7.241 1.00 0.22 H new ATOM 0 HG12 VAL A 44 136.132 2.978 -5.486 1.00 0.22 H new ATOM 0 HG13 VAL A 44 137.697 2.492 -6.179 1.00 0.22 H new ATOM 0 HG21 VAL A 44 136.583 0.423 -8.155 1.00 0.24 H new ATOM 0 HG22 VAL A 44 137.998 0.193 -7.101 1.00 0.24 H new ATOM 0 HG23 VAL A 44 136.653 -0.971 -7.051 1.00 0.24 H new ATOM 679 N VAL A 45 134.721 0.397 -3.333 1.00 0.17 N ATOM 680 CA VAL A 45 133.774 0.903 -2.298 1.00 0.17 C ATOM 681 C VAL A 45 134.377 0.625 -0.921 1.00 0.16 C ATOM 682 O VAL A 45 134.310 1.444 -0.026 1.00 0.16 O ATOM 683 CB VAL A 45 132.423 0.190 -2.431 1.00 0.18 C ATOM 684 CG1 VAL A 45 131.522 0.573 -1.253 1.00 0.22 C ATOM 685 CG2 VAL A 45 131.747 0.596 -3.750 1.00 0.20 C ATOM 0 H VAL A 45 134.445 -0.481 -3.774 1.00 0.17 H new ATOM 0 HA VAL A 45 133.613 1.973 -2.428 1.00 0.17 H new ATOM 0 HB VAL A 45 132.585 -0.888 -2.428 1.00 0.18 H new ATOM 0 HG11 VAL A 45 130.562 0.065 -1.349 1.00 0.22 H new ATOM 0 HG12 VAL A 45 131.998 0.275 -0.319 1.00 0.22 H new ATOM 0 HG13 VAL A 45 131.364 1.651 -1.252 1.00 0.22 H new ATOM 0 HG21 VAL A 45 130.788 0.086 -3.839 1.00 0.20 H new ATOM 0 HG22 VAL A 45 131.587 1.674 -3.760 1.00 0.20 H new ATOM 0 HG23 VAL A 45 132.386 0.316 -4.588 1.00 0.20 H new ATOM 695 N LEU A 46 135.000 -0.510 -0.755 1.00 0.17 N ATOM 696 CA LEU A 46 135.643 -0.819 0.550 1.00 0.18 C ATOM 697 C LEU A 46 136.697 0.256 0.820 1.00 0.17 C ATOM 698 O LEU A 46 136.911 0.673 1.941 1.00 0.18 O ATOM 699 CB LEU A 46 136.302 -2.207 0.479 1.00 0.22 C ATOM 700 CG LEU A 46 137.205 -2.449 1.701 1.00 0.25 C ATOM 701 CD1 LEU A 46 136.410 -2.268 2.997 1.00 0.40 C ATOM 702 CD2 LEU A 46 137.751 -3.877 1.648 1.00 0.35 C ATOM 0 H LEU A 46 135.090 -1.235 -1.467 1.00 0.17 H new ATOM 0 HA LEU A 46 134.906 -0.828 1.353 1.00 0.18 H new ATOM 0 HB2 LEU A 46 135.532 -2.977 0.432 1.00 0.22 H new ATOM 0 HB3 LEU A 46 136.890 -2.288 -0.435 1.00 0.22 H new ATOM 0 HG LEU A 46 138.024 -1.730 1.682 1.00 0.25 H new ATOM 0 HD11 LEU A 46 137.063 -2.443 3.852 1.00 0.40 H new ATOM 0 HD12 LEU A 46 136.016 -1.253 3.043 1.00 0.40 H new ATOM 0 HD13 LEU A 46 135.584 -2.979 3.020 1.00 0.40 H new ATOM 0 HD21 LEU A 46 138.392 -4.054 2.512 1.00 0.35 H new ATOM 0 HD22 LEU A 46 136.922 -4.584 1.660 1.00 0.35 H new ATOM 0 HD23 LEU A 46 138.329 -4.012 0.734 1.00 0.35 H new ATOM 714 N GLY A 47 137.359 0.703 -0.212 1.00 0.17 N ATOM 715 CA GLY A 47 138.406 1.748 -0.044 1.00 0.18 C ATOM 716 C GLY A 47 137.791 3.014 0.557 1.00 0.18 C ATOM 717 O GLY A 47 138.378 3.657 1.403 1.00 0.18 O ATOM 0 H GLY A 47 137.218 0.386 -1.171 1.00 0.17 H new ATOM 0 HA2 GLY A 47 139.201 1.377 0.603 1.00 0.18 H new ATOM 0 HA3 GLY A 47 138.861 1.977 -1.008 1.00 0.18 H new ATOM 721 N GLN A 48 136.613 3.383 0.125 1.00 0.17 N ATOM 722 CA GLN A 48 135.975 4.614 0.677 1.00 0.18 C ATOM 723 C GLN A 48 135.792 4.447 2.188 1.00 0.17 C ATOM 724 O GLN A 48 136.006 5.362 2.953 1.00 0.18 O ATOM 725 CB GLN A 48 134.608 4.825 0.023 1.00 0.19 C ATOM 726 CG GLN A 48 134.093 6.227 0.358 1.00 0.22 C ATOM 727 CD GLN A 48 134.900 7.265 -0.424 1.00 0.28 C ATOM 728 OE1 GLN A 48 135.263 7.037 -1.561 1.00 0.98 O ATOM 729 NE2 GLN A 48 135.191 8.407 0.135 1.00 1.09 N ATOM 0 H GLN A 48 136.068 2.888 -0.582 1.00 0.17 H new ATOM 0 HA GLN A 48 136.609 5.476 0.472 1.00 0.18 H new ATOM 0 HB2 GLN A 48 134.687 4.704 -1.057 1.00 0.19 H new ATOM 0 HB3 GLN A 48 133.903 4.073 0.378 1.00 0.19 H new ATOM 0 HG2 GLN A 48 133.035 6.308 0.107 1.00 0.22 H new ATOM 0 HG3 GLN A 48 134.181 6.413 1.428 1.00 0.22 H new ATOM 0 HE21 GLN A 48 134.887 8.600 1.089 1.00 1.09 H new ATOM 0 HE22 GLN A 48 135.723 9.107 -0.382 1.00 1.09 H new ATOM 738 N PHE A 49 135.412 3.279 2.622 1.00 0.17 N ATOM 739 CA PHE A 49 135.222 3.036 4.082 1.00 0.17 C ATOM 740 C PHE A 49 136.555 3.290 4.791 1.00 0.18 C ATOM 741 O PHE A 49 136.612 3.854 5.867 1.00 0.19 O ATOM 742 CB PHE A 49 134.782 1.580 4.278 1.00 0.17 C ATOM 743 CG PHE A 49 134.573 1.278 5.746 1.00 0.19 C ATOM 744 CD1 PHE A 49 133.516 1.879 6.436 1.00 0.23 C ATOM 745 CD2 PHE A 49 135.420 0.380 6.411 1.00 0.28 C ATOM 746 CE1 PHE A 49 133.304 1.588 7.789 1.00 0.26 C ATOM 747 CE2 PHE A 49 135.211 0.090 7.764 1.00 0.31 C ATOM 748 CZ PHE A 49 134.152 0.693 8.453 1.00 0.26 C ATOM 0 H PHE A 49 135.223 2.474 2.024 1.00 0.17 H new ATOM 0 HA PHE A 49 134.462 3.699 4.496 1.00 0.17 H new ATOM 0 HB2 PHE A 49 133.858 1.397 3.729 1.00 0.17 H new ATOM 0 HB3 PHE A 49 135.536 0.908 3.867 1.00 0.17 H new ATOM 0 HD1 PHE A 49 132.862 2.569 5.924 1.00 0.23 H new ATOM 0 HD2 PHE A 49 136.235 -0.088 5.878 1.00 0.28 H new ATOM 0 HE1 PHE A 49 132.487 2.053 8.320 1.00 0.26 H new ATOM 0 HE2 PHE A 49 135.866 -0.599 8.276 1.00 0.31 H new ATOM 0 HZ PHE A 49 133.989 0.468 9.497 1.00 0.26 H new ATOM 758 N LEU A 50 137.618 2.873 4.184 1.00 0.19 N ATOM 759 CA LEU A 50 138.960 3.079 4.800 1.00 0.21 C ATOM 760 C LEU A 50 139.286 4.579 4.801 1.00 0.21 C ATOM 761 O LEU A 50 139.857 5.102 5.739 1.00 0.23 O ATOM 762 CB LEU A 50 140.005 2.322 3.978 1.00 0.23 C ATOM 763 CG LEU A 50 139.674 0.822 3.962 1.00 0.23 C ATOM 764 CD1 LEU A 50 140.721 0.085 3.122 1.00 0.28 C ATOM 765 CD2 LEU A 50 139.670 0.257 5.394 1.00 0.28 C ATOM 0 H LEU A 50 137.623 2.395 3.283 1.00 0.19 H new ATOM 0 HA LEU A 50 138.965 2.708 5.825 1.00 0.21 H new ATOM 0 HB2 LEU A 50 140.028 2.709 2.959 1.00 0.23 H new ATOM 0 HB3 LEU A 50 140.997 2.480 4.402 1.00 0.23 H new ATOM 0 HG LEU A 50 138.684 0.680 3.529 1.00 0.23 H new ATOM 0 HD11 LEU A 50 140.491 -0.980 3.107 1.00 0.28 H new ATOM 0 HD12 LEU A 50 140.709 0.473 2.104 1.00 0.28 H new ATOM 0 HD13 LEU A 50 141.709 0.237 3.557 1.00 0.28 H new ATOM 0 HD21 LEU A 50 139.434 -0.807 5.365 1.00 0.28 H new ATOM 0 HD22 LEU A 50 140.653 0.398 5.844 1.00 0.28 H new ATOM 0 HD23 LEU A 50 138.921 0.779 5.989 1.00 0.28 H new ATOM 777 N VAL A 51 138.948 5.266 3.748 1.00 0.21 N ATOM 778 CA VAL A 51 139.251 6.727 3.659 1.00 0.23 C ATOM 779 C VAL A 51 138.466 7.518 4.718 1.00 0.23 C ATOM 780 O VAL A 51 138.849 8.606 5.098 1.00 0.24 O ATOM 781 CB VAL A 51 138.880 7.228 2.261 1.00 0.25 C ATOM 782 CG1 VAL A 51 139.063 8.746 2.186 1.00 0.28 C ATOM 783 CG2 VAL A 51 139.789 6.555 1.230 1.00 0.27 C ATOM 0 H VAL A 51 138.470 4.877 2.935 1.00 0.21 H new ATOM 0 HA VAL A 51 140.315 6.878 3.843 1.00 0.23 H new ATOM 0 HB VAL A 51 137.838 6.983 2.053 1.00 0.25 H new ATOM 0 HG11 VAL A 51 138.797 9.096 1.188 1.00 0.28 H new ATOM 0 HG12 VAL A 51 138.419 9.227 2.923 1.00 0.28 H new ATOM 0 HG13 VAL A 51 140.103 8.998 2.394 1.00 0.28 H new ATOM 0 HG21 VAL A 51 139.530 6.907 0.232 1.00 0.27 H new ATOM 0 HG22 VAL A 51 140.828 6.803 1.444 1.00 0.27 H new ATOM 0 HG23 VAL A 51 139.657 5.474 1.279 1.00 0.27 H new ATOM 793 N LEU A 52 137.363 6.991 5.183 1.00 0.22 N ATOM 794 CA LEU A 52 136.548 7.729 6.202 1.00 0.23 C ATOM 795 C LEU A 52 136.951 7.294 7.617 1.00 0.23 C ATOM 796 O LEU A 52 136.227 7.513 8.567 1.00 0.24 O ATOM 797 CB LEU A 52 135.066 7.427 5.969 1.00 0.24 C ATOM 798 CG LEU A 52 134.665 7.875 4.555 1.00 0.25 C ATOM 799 CD1 LEU A 52 133.206 7.490 4.290 1.00 0.31 C ATOM 800 CD2 LEU A 52 134.836 9.400 4.409 1.00 0.27 C ATOM 0 H LEU A 52 136.990 6.084 4.904 1.00 0.22 H new ATOM 0 HA LEU A 52 136.726 8.800 6.103 1.00 0.23 H new ATOM 0 HB2 LEU A 52 134.878 6.360 6.090 1.00 0.24 H new ATOM 0 HB3 LEU A 52 134.458 7.944 6.711 1.00 0.24 H new ATOM 0 HG LEU A 52 135.310 7.379 3.830 1.00 0.25 H new ATOM 0 HD11 LEU A 52 132.922 7.808 3.287 1.00 0.31 H new ATOM 0 HD12 LEU A 52 133.094 6.409 4.373 1.00 0.31 H new ATOM 0 HD13 LEU A 52 132.562 7.979 5.021 1.00 0.31 H new ATOM 0 HD21 LEU A 52 134.548 9.704 3.402 1.00 0.27 H new ATOM 0 HD22 LEU A 52 134.203 9.908 5.136 1.00 0.27 H new ATOM 0 HD23 LEU A 52 135.878 9.668 4.585 1.00 0.27 H new ATOM 812 N LYS A 53 138.094 6.682 7.771 1.00 0.22 N ATOM 813 CA LYS A 53 138.534 6.239 9.129 1.00 0.23 C ATOM 814 C LYS A 53 137.432 5.404 9.785 1.00 0.24 C ATOM 815 O LYS A 53 137.302 5.378 10.991 1.00 0.30 O ATOM 816 CB LYS A 53 138.825 7.465 10.008 1.00 0.29 C ATOM 817 CG LYS A 53 140.170 8.091 9.618 1.00 0.38 C ATOM 818 CD LYS A 53 140.063 8.743 8.234 1.00 0.49 C ATOM 819 CE LYS A 53 141.219 9.730 8.043 1.00 0.90 C ATOM 820 NZ LYS A 53 141.173 10.286 6.660 1.00 1.70 N ATOM 0 H LYS A 53 138.744 6.469 7.015 1.00 0.22 H new ATOM 0 HA LYS A 53 139.438 5.638 9.028 1.00 0.23 H new ATOM 0 HB2 LYS A 53 138.028 8.200 9.895 1.00 0.29 H new ATOM 0 HB3 LYS A 53 138.843 7.173 11.058 1.00 0.29 H new ATOM 0 HG2 LYS A 53 140.462 8.836 10.358 1.00 0.38 H new ATOM 0 HG3 LYS A 53 140.947 7.327 9.610 1.00 0.38 H new ATOM 0 HD2 LYS A 53 140.091 7.979 7.457 1.00 0.49 H new ATOM 0 HD3 LYS A 53 139.109 9.261 8.137 1.00 0.49 H new ATOM 0 HE2 LYS A 53 141.148 10.536 8.773 1.00 0.90 H new ATOM 0 HE3 LYS A 53 142.172 9.229 8.214 1.00 0.90 H new ATOM 0 HZ1 LYS A 53 142.021 10.863 6.489 1.00 1.70 H new ATOM 0 HZ2 LYS A 53 141.141 9.506 5.973 1.00 1.70 H new ATOM 0 HZ3 LYS A 53 140.324 10.878 6.552 1.00 1.70 H new ATOM 834 N LYS A 54 136.638 4.721 8.998 1.00 0.22 N ATOM 835 CA LYS A 54 135.538 3.875 9.553 1.00 0.25 C ATOM 836 C LYS A 54 134.560 4.737 10.356 1.00 0.27 C ATOM 837 O LYS A 54 133.801 4.227 11.157 1.00 0.33 O ATOM 838 CB LYS A 54 136.125 2.796 10.470 1.00 0.35 C ATOM 839 CG LYS A 54 137.268 2.072 9.748 1.00 0.67 C ATOM 840 CD LYS A 54 137.718 0.841 10.555 1.00 0.83 C ATOM 841 CE LYS A 54 138.666 1.266 11.681 1.00 1.41 C ATOM 842 NZ LYS A 54 139.871 1.918 11.096 1.00 2.24 N ATOM 0 H LYS A 54 136.707 4.714 7.980 1.00 0.22 H new ATOM 0 HA LYS A 54 135.008 3.406 8.724 1.00 0.25 H new ATOM 0 HB2 LYS A 54 136.492 3.248 11.391 1.00 0.35 H new ATOM 0 HB3 LYS A 54 135.350 2.083 10.752 1.00 0.35 H new ATOM 0 HG2 LYS A 54 136.942 1.764 8.755 1.00 0.67 H new ATOM 0 HG3 LYS A 54 138.109 2.752 9.611 1.00 0.67 H new ATOM 0 HD2 LYS A 54 136.849 0.333 10.973 1.00 0.83 H new ATOM 0 HD3 LYS A 54 138.218 0.129 9.898 1.00 0.83 H new ATOM 0 HE2 LYS A 54 138.159 1.954 12.357 1.00 1.41 H new ATOM 0 HE3 LYS A 54 138.959 0.398 12.271 1.00 1.41 H new ATOM 0 HZ1 LYS A 54 140.714 1.642 11.639 1.00 2.24 H new ATOM 0 HZ2 LYS A 54 139.983 1.617 10.107 1.00 2.24 H new ATOM 0 HZ3 LYS A 54 139.759 2.951 11.133 1.00 2.24 H new ATOM 856 N ASP A 55 134.536 6.024 10.148 1.00 0.29 N ATOM 857 CA ASP A 55 133.562 6.859 10.908 1.00 0.39 C ATOM 858 C ASP A 55 132.153 6.482 10.431 1.00 0.37 C ATOM 859 O ASP A 55 131.822 6.613 9.269 1.00 0.37 O ATOM 860 CB ASP A 55 133.842 8.338 10.640 1.00 0.46 C ATOM 861 CG ASP A 55 135.140 8.744 11.340 1.00 1.18 C ATOM 862 OD1 ASP A 55 135.310 8.376 12.491 1.00 1.80 O ATOM 863 OD2 ASP A 55 135.944 9.414 10.713 1.00 1.55 O ATOM 0 H ASP A 55 135.137 6.528 9.496 1.00 0.29 H new ATOM 0 HA ASP A 55 133.650 6.685 11.980 1.00 0.39 H new ATOM 0 HB2 ASP A 55 133.923 8.516 9.568 1.00 0.46 H new ATOM 0 HB3 ASP A 55 133.014 8.948 11.002 1.00 0.46 H new ATOM 868 N GLU A 56 131.338 5.971 11.316 1.00 0.38 N ATOM 869 CA GLU A 56 129.963 5.525 10.931 1.00 0.37 C ATOM 870 C GLU A 56 129.069 6.681 10.450 1.00 0.38 C ATOM 871 O GLU A 56 128.318 6.532 9.511 1.00 0.37 O ATOM 872 CB GLU A 56 129.313 4.857 12.145 1.00 0.39 C ATOM 873 CG GLU A 56 127.977 4.230 11.738 1.00 0.41 C ATOM 874 CD GLU A 56 127.334 3.566 12.956 1.00 0.62 C ATOM 875 OE1 GLU A 56 127.999 3.468 13.974 1.00 0.87 O ATOM 876 OE2 GLU A 56 126.188 3.162 12.848 1.00 0.85 O ATOM 0 H GLU A 56 131.568 5.842 12.301 1.00 0.38 H new ATOM 0 HA GLU A 56 130.061 4.831 10.096 1.00 0.37 H new ATOM 0 HB2 GLU A 56 129.976 4.092 12.549 1.00 0.39 H new ATOM 0 HB3 GLU A 56 129.155 5.592 12.935 1.00 0.39 H new ATOM 0 HG2 GLU A 56 127.313 4.994 11.334 1.00 0.41 H new ATOM 0 HG3 GLU A 56 128.134 3.494 10.949 1.00 0.41 H new ATOM 883 N ASP A 57 129.122 7.818 11.085 1.00 0.40 N ATOM 884 CA ASP A 57 128.246 8.952 10.651 1.00 0.41 C ATOM 885 C ASP A 57 128.712 9.488 9.299 1.00 0.40 C ATOM 886 O ASP A 57 127.915 9.812 8.441 1.00 0.40 O ATOM 887 CB ASP A 57 128.302 10.070 11.696 1.00 0.45 C ATOM 888 CG ASP A 57 127.575 9.622 12.967 1.00 0.47 C ATOM 889 OD1 ASP A 57 128.224 9.044 13.823 1.00 0.64 O ATOM 890 OD2 ASP A 57 126.385 9.874 13.065 1.00 0.73 O ATOM 0 H ASP A 57 129.728 8.015 11.881 1.00 0.40 H new ATOM 0 HA ASP A 57 127.221 8.594 10.555 1.00 0.41 H new ATOM 0 HB2 ASP A 57 129.339 10.315 11.925 1.00 0.45 H new ATOM 0 HB3 ASP A 57 127.840 10.975 11.301 1.00 0.45 H new ATOM 895 N LEU A 58 129.985 9.577 9.098 1.00 0.40 N ATOM 896 CA LEU A 58 130.475 10.086 7.788 1.00 0.40 C ATOM 897 C LEU A 58 130.183 9.045 6.708 1.00 0.37 C ATOM 898 O LEU A 58 129.779 9.372 5.610 1.00 0.38 O ATOM 899 CB LEU A 58 131.982 10.347 7.837 1.00 0.40 C ATOM 900 CG LEU A 58 132.314 11.390 8.914 1.00 0.47 C ATOM 901 CD1 LEU A 58 133.825 11.647 8.907 1.00 0.45 C ATOM 902 CD2 LEU A 58 131.567 12.706 8.635 1.00 0.55 C ATOM 0 H LEU A 58 130.708 9.324 9.772 1.00 0.40 H new ATOM 0 HA LEU A 58 129.965 11.022 7.562 1.00 0.40 H new ATOM 0 HB2 LEU A 58 132.511 9.418 8.048 1.00 0.40 H new ATOM 0 HB3 LEU A 58 132.328 10.697 6.865 1.00 0.40 H new ATOM 0 HG LEU A 58 132.002 11.013 9.888 1.00 0.47 H new ATOM 0 HD11 LEU A 58 134.072 12.387 9.669 1.00 0.45 H new ATOM 0 HD12 LEU A 58 134.353 10.717 9.119 1.00 0.45 H new ATOM 0 HD13 LEU A 58 134.126 12.020 7.928 1.00 0.45 H new ATOM 0 HD21 LEU A 58 131.813 13.435 9.407 1.00 0.55 H new ATOM 0 HD22 LEU A 58 131.865 13.094 7.661 1.00 0.55 H new ATOM 0 HD23 LEU A 58 130.493 12.522 8.639 1.00 0.55 H new ATOM 914 N PHE A 59 130.363 7.789 7.018 1.00 0.36 N ATOM 915 CA PHE A 59 130.071 6.731 6.012 1.00 0.35 C ATOM 916 C PHE A 59 128.587 6.763 5.646 1.00 0.35 C ATOM 917 O PHE A 59 128.220 6.770 4.488 1.00 0.35 O ATOM 918 CB PHE A 59 130.432 5.361 6.590 1.00 0.34 C ATOM 919 CG PHE A 59 130.072 4.284 5.596 1.00 0.33 C ATOM 920 CD1 PHE A 59 131.008 3.869 4.642 1.00 0.35 C ATOM 921 CD2 PHE A 59 128.804 3.693 5.635 1.00 0.36 C ATOM 922 CE1 PHE A 59 130.675 2.864 3.725 1.00 0.36 C ATOM 923 CE2 PHE A 59 128.470 2.689 4.718 1.00 0.38 C ATOM 924 CZ PHE A 59 129.406 2.275 3.763 1.00 0.36 C ATOM 0 H PHE A 59 130.698 7.452 7.921 1.00 0.36 H new ATOM 0 HA PHE A 59 130.664 6.911 5.116 1.00 0.35 H new ATOM 0 HB2 PHE A 59 131.497 5.320 6.817 1.00 0.34 H new ATOM 0 HB3 PHE A 59 129.900 5.198 7.527 1.00 0.34 H new ATOM 0 HD1 PHE A 59 131.987 4.324 4.613 1.00 0.35 H new ATOM 0 HD2 PHE A 59 128.083 4.012 6.373 1.00 0.36 H new ATOM 0 HE1 PHE A 59 131.397 2.544 2.989 1.00 0.36 H new ATOM 0 HE2 PHE A 59 127.491 2.234 4.747 1.00 0.38 H new ATOM 0 HZ PHE A 59 129.149 1.501 3.055 1.00 0.36 H new ATOM 934 N ARG A 60 127.729 6.771 6.631 1.00 0.37 N ATOM 935 CA ARG A 60 126.268 6.788 6.350 1.00 0.38 C ATOM 936 C ARG A 60 125.888 8.034 5.558 1.00 0.39 C ATOM 937 O ARG A 60 125.161 7.960 4.587 1.00 0.39 O ATOM 938 CB ARG A 60 125.497 6.768 7.672 1.00 0.42 C ATOM 939 CG ARG A 60 125.657 5.397 8.332 1.00 0.43 C ATOM 940 CD ARG A 60 124.930 5.381 9.675 1.00 0.50 C ATOM 941 NE ARG A 60 125.550 6.396 10.572 1.00 1.31 N ATOM 942 CZ ARG A 60 124.973 6.719 11.695 1.00 1.55 C ATOM 943 NH1 ARG A 60 123.850 6.154 12.040 1.00 1.16 N ATOM 944 NH2 ARG A 60 125.526 7.604 12.479 1.00 2.64 N ATOM 0 H ARG A 60 127.980 6.766 7.620 1.00 0.37 H new ATOM 0 HA ARG A 60 126.014 5.908 5.759 1.00 0.38 H new ATOM 0 HB2 ARG A 60 125.870 7.549 8.335 1.00 0.42 H new ATOM 0 HB3 ARG A 60 124.442 6.977 7.494 1.00 0.42 H new ATOM 0 HG2 ARG A 60 125.255 4.621 7.681 1.00 0.43 H new ATOM 0 HG3 ARG A 60 126.714 5.175 8.478 1.00 0.43 H new ATOM 0 HD2 ARG A 60 123.872 5.600 9.533 1.00 0.50 H new ATOM 0 HD3 ARG A 60 124.993 4.391 10.126 1.00 0.50 H new ATOM 0 HE ARG A 60 126.429 6.840 10.306 1.00 1.31 H new ATOM 0 HH11 ARG A 60 123.421 5.458 11.431 1.00 1.16 H new ATOM 0 HH12 ARG A 60 123.400 6.408 12.919 1.00 1.16 H new ATOM 0 HH21 ARG A 60 126.408 8.041 12.212 1.00 2.64 H new ATOM 0 HH22 ARG A 60 125.076 7.858 13.358 1.00 2.64 H new ATOM 958 N GLU A 61 126.370 9.180 5.948 1.00 0.41 N ATOM 959 CA GLU A 61 126.028 10.413 5.194 1.00 0.44 C ATOM 960 C GLU A 61 126.615 10.308 3.786 1.00 0.42 C ATOM 961 O GLU A 61 125.996 10.697 2.817 1.00 0.42 O ATOM 962 CB GLU A 61 126.622 11.629 5.910 1.00 0.48 C ATOM 963 CG GLU A 61 125.891 11.847 7.238 1.00 1.29 C ATOM 964 CD GLU A 61 124.460 12.314 6.968 1.00 1.76 C ATOM 965 OE1 GLU A 61 124.249 12.961 5.955 1.00 2.32 O ATOM 966 OE2 GLU A 61 123.599 12.015 7.778 1.00 2.37 O ATOM 0 H GLU A 61 126.983 9.314 6.752 1.00 0.41 H new ATOM 0 HA GLU A 61 124.945 10.526 5.135 1.00 0.44 H new ATOM 0 HB2 GLU A 61 127.686 11.475 6.089 1.00 0.48 H new ATOM 0 HB3 GLU A 61 126.530 12.515 5.282 1.00 0.48 H new ATOM 0 HG2 GLU A 61 125.879 10.922 7.814 1.00 1.29 H new ATOM 0 HG3 GLU A 61 126.419 12.589 7.837 1.00 1.29 H new ATOM 973 N TRP A 62 127.802 9.785 3.665 1.00 0.40 N ATOM 974 CA TRP A 62 128.428 9.658 2.316 1.00 0.38 C ATOM 975 C TRP A 62 127.649 8.677 1.428 1.00 0.36 C ATOM 976 O TRP A 62 127.350 8.970 0.288 1.00 0.36 O ATOM 977 CB TRP A 62 129.878 9.163 2.463 1.00 0.38 C ATOM 978 CG TRP A 62 130.410 8.785 1.112 1.00 0.36 C ATOM 979 CD1 TRP A 62 130.999 9.627 0.235 1.00 0.38 C ATOM 980 CD2 TRP A 62 130.376 7.479 0.468 1.00 0.34 C ATOM 981 NE1 TRP A 62 131.329 8.918 -0.910 1.00 0.37 N ATOM 982 CE2 TRP A 62 130.966 7.588 -0.811 1.00 0.35 C ATOM 983 CE3 TRP A 62 129.895 6.222 0.874 1.00 0.32 C ATOM 984 CZ2 TRP A 62 131.071 6.483 -1.664 1.00 0.34 C ATOM 985 CZ3 TRP A 62 130.000 5.111 0.021 1.00 0.31 C ATOM 986 CH2 TRP A 62 130.586 5.242 -1.244 1.00 0.32 C ATOM 0 H TRP A 62 128.368 9.439 4.440 1.00 0.40 H new ATOM 0 HA TRP A 62 128.411 10.640 1.844 1.00 0.38 H new ATOM 0 HB2 TRP A 62 130.498 9.943 2.906 1.00 0.38 H new ATOM 0 HB3 TRP A 62 129.916 8.306 3.135 1.00 0.38 H new ATOM 0 HD1 TRP A 62 131.183 10.679 0.399 1.00 0.38 H new ATOM 0 HE1 TRP A 62 131.784 9.328 -1.726 1.00 0.37 H new ATOM 0 HE3 TRP A 62 129.442 6.110 1.848 1.00 0.32 H new ATOM 0 HZ2 TRP A 62 131.523 6.589 -2.639 1.00 0.34 H new ATOM 0 HZ3 TRP A 62 129.627 4.150 0.343 1.00 0.31 H new ATOM 0 HH2 TRP A 62 130.663 4.384 -1.895 1.00 0.32 H new ATOM 997 N LEU A 63 127.336 7.514 1.925 1.00 0.34 N ATOM 998 CA LEU A 63 126.601 6.525 1.084 1.00 0.32 C ATOM 999 C LEU A 63 125.187 7.028 0.797 1.00 0.33 C ATOM 1000 O LEU A 63 124.722 6.998 -0.325 1.00 0.32 O ATOM 1001 CB LEU A 63 126.539 5.176 1.819 1.00 0.31 C ATOM 1002 CG LEU A 63 125.714 4.158 1.020 1.00 0.31 C ATOM 1003 CD1 LEU A 63 126.323 3.955 -0.376 1.00 0.30 C ATOM 1004 CD2 LEU A 63 125.715 2.823 1.772 1.00 0.32 C ATOM 0 H LEU A 63 127.555 7.205 2.872 1.00 0.34 H new ATOM 0 HA LEU A 63 127.126 6.398 0.137 1.00 0.32 H new ATOM 0 HB2 LEU A 63 127.548 4.793 1.972 1.00 0.31 H new ATOM 0 HB3 LEU A 63 126.098 5.314 2.806 1.00 0.31 H new ATOM 0 HG LEU A 63 124.695 4.529 0.908 1.00 0.31 H new ATOM 0 HD11 LEU A 63 125.727 3.230 -0.931 1.00 0.30 H new ATOM 0 HD12 LEU A 63 126.331 4.905 -0.911 1.00 0.30 H new ATOM 0 HD13 LEU A 63 127.344 3.586 -0.277 1.00 0.30 H new ATOM 0 HD21 LEU A 63 125.132 2.091 1.214 1.00 0.32 H new ATOM 0 HD22 LEU A 63 126.739 2.466 1.878 1.00 0.32 H new ATOM 0 HD23 LEU A 63 125.275 2.961 2.759 1.00 0.32 H new ATOM 1016 N LYS A 64 124.503 7.487 1.800 1.00 0.35 N ATOM 1017 CA LYS A 64 123.120 7.992 1.590 1.00 0.37 C ATOM 1018 C LYS A 64 123.144 9.173 0.619 1.00 0.39 C ATOM 1019 O LYS A 64 122.350 9.256 -0.296 1.00 0.39 O ATOM 1020 CB LYS A 64 122.523 8.425 2.932 1.00 0.41 C ATOM 1021 CG LYS A 64 121.100 8.944 2.718 1.00 0.43 C ATOM 1022 CD LYS A 64 120.469 9.272 4.071 1.00 0.68 C ATOM 1023 CE LYS A 64 119.064 9.835 3.856 1.00 1.25 C ATOM 1024 NZ LYS A 64 118.206 8.797 3.217 1.00 2.11 N ATOM 0 H LYS A 64 124.841 7.535 2.761 1.00 0.35 H new ATOM 0 HA LYS A 64 122.504 7.199 1.166 1.00 0.37 H new ATOM 0 HB2 LYS A 64 122.514 7.584 3.625 1.00 0.41 H new ATOM 0 HB3 LYS A 64 123.140 9.202 3.382 1.00 0.41 H new ATOM 0 HG2 LYS A 64 121.117 9.833 2.087 1.00 0.43 H new ATOM 0 HG3 LYS A 64 120.503 8.195 2.198 1.00 0.43 H new ATOM 0 HD2 LYS A 64 120.422 8.375 4.689 1.00 0.68 H new ATOM 0 HD3 LYS A 64 121.084 9.996 4.605 1.00 0.68 H new ATOM 0 HE2 LYS A 64 118.634 10.142 4.809 1.00 1.25 H new ATOM 0 HE3 LYS A 64 119.109 10.723 3.226 1.00 1.25 H new ATOM 0 HZ1 LYS A 64 117.205 9.030 3.373 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 118.399 8.767 2.196 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 118.415 7.868 3.636 1.00 2.11 H new ATOM 1038 N ASP A 65 124.049 10.088 0.821 1.00 0.41 N ATOM 1039 CA ASP A 65 124.131 11.273 -0.080 1.00 0.45 C ATOM 1040 C ASP A 65 124.637 10.846 -1.459 1.00 0.43 C ATOM 1041 O ASP A 65 124.368 11.489 -2.454 1.00 0.46 O ATOM 1042 CB ASP A 65 125.099 12.297 0.517 1.00 0.49 C ATOM 1043 CG ASP A 65 124.486 12.898 1.783 1.00 1.17 C ATOM 1044 OD1 ASP A 65 123.297 13.171 1.770 1.00 1.90 O ATOM 1045 OD2 ASP A 65 125.214 13.070 2.746 1.00 1.42 O ATOM 0 H ASP A 65 124.738 10.067 1.573 1.00 0.41 H new ATOM 0 HA ASP A 65 123.140 11.715 -0.181 1.00 0.45 H new ATOM 0 HB2 ASP A 65 126.051 11.820 0.752 1.00 0.49 H new ATOM 0 HB3 ASP A 65 125.307 13.084 -0.208 1.00 0.49 H new ATOM 1050 N THR A 66 125.401 9.788 -1.522 1.00 0.40 N ATOM 1051 CA THR A 66 125.961 9.346 -2.831 1.00 0.39 C ATOM 1052 C THR A 66 124.934 8.553 -3.642 1.00 0.39 C ATOM 1053 O THR A 66 124.953 8.607 -4.856 1.00 0.41 O ATOM 1054 CB THR A 66 127.196 8.473 -2.591 1.00 0.38 C ATOM 1055 OG1 THR A 66 128.180 9.229 -1.898 1.00 0.37 O ATOM 1056 CG2 THR A 66 127.765 8.007 -3.933 1.00 0.39 C ATOM 0 H THR A 66 125.661 9.211 -0.722 1.00 0.40 H new ATOM 0 HA THR A 66 126.231 10.236 -3.399 1.00 0.39 H new ATOM 0 HB THR A 66 126.915 7.604 -1.996 1.00 0.38 H new ATOM 0 HG1 THR A 66 127.848 9.457 -1.005 1.00 0.37 H new ATOM 0 HG21 THR A 66 128.644 7.386 -3.760 1.00 0.39 H new ATOM 0 HG22 THR A 66 127.011 7.428 -4.467 1.00 0.39 H new ATOM 0 HG23 THR A 66 128.046 8.875 -4.530 1.00 0.39 H new ATOM 1064 N CYS A 67 124.065 7.782 -3.019 1.00 0.37 N ATOM 1065 CA CYS A 67 123.087 6.959 -3.808 1.00 0.38 C ATOM 1066 C CYS A 67 121.653 7.127 -3.301 1.00 0.37 C ATOM 1067 O CYS A 67 120.706 6.958 -4.044 1.00 0.40 O ATOM 1068 CB CYS A 67 123.480 5.488 -3.686 1.00 0.37 C ATOM 1069 SG CYS A 67 123.410 4.989 -1.947 1.00 0.36 S ATOM 0 H CYS A 67 123.992 7.689 -2.006 1.00 0.37 H new ATOM 0 HA CYS A 67 123.119 7.297 -4.844 1.00 0.38 H new ATOM 0 HB2 CYS A 67 122.807 4.870 -4.280 1.00 0.37 H new ATOM 0 HB3 CYS A 67 124.485 5.335 -4.080 1.00 0.37 H new ATOM 0 HG CYS A 67 123.703 6.006 -1.192 1.00 0.36 H new ATOM 1075 N GLY A 68 121.479 7.443 -2.043 1.00 0.36 N ATOM 1076 CA GLY A 68 120.099 7.607 -1.479 1.00 0.36 C ATOM 1077 C GLY A 68 119.764 6.393 -0.609 1.00 0.34 C ATOM 1078 O GLY A 68 118.624 6.171 -0.252 1.00 0.34 O ATOM 0 H GLY A 68 122.236 7.596 -1.376 1.00 0.36 H new ATOM 0 HA2 GLY A 68 120.041 8.521 -0.887 1.00 0.36 H new ATOM 0 HA3 GLY A 68 119.372 7.703 -2.286 1.00 0.36 H new ATOM 1082 N ALA A 69 120.747 5.604 -0.263 1.00 0.33 N ATOM 1083 CA ALA A 69 120.486 4.406 0.588 1.00 0.32 C ATOM 1084 C ALA A 69 119.706 4.823 1.837 1.00 0.31 C ATOM 1085 O ALA A 69 119.789 5.949 2.283 1.00 0.32 O ATOM 1086 CB ALA A 69 121.819 3.782 1.003 1.00 0.32 C ATOM 0 H ALA A 69 121.721 5.738 -0.534 1.00 0.33 H new ATOM 0 HA ALA A 69 119.901 3.679 0.024 1.00 0.32 H new ATOM 0 HB1 ALA A 69 121.633 2.906 1.625 1.00 0.32 H new ATOM 0 HB2 ALA A 69 122.374 3.484 0.113 1.00 0.32 H new ATOM 0 HB3 ALA A 69 122.402 4.510 1.567 1.00 0.32 H new ATOM 1092 N ASN A 70 118.941 3.926 2.404 1.00 0.30 N ATOM 1093 CA ASN A 70 118.149 4.276 3.622 1.00 0.30 C ATOM 1094 C ASN A 70 118.961 3.948 4.878 1.00 0.30 C ATOM 1095 O ASN A 70 120.031 3.375 4.809 1.00 0.29 O ATOM 1096 CB ASN A 70 116.848 3.467 3.635 1.00 0.30 C ATOM 1097 CG ASN A 70 115.976 3.879 2.446 1.00 1.06 C ATOM 1098 OD1 ASN A 70 115.679 3.071 1.588 1.00 1.90 O ATOM 1099 ND2 ASN A 70 115.547 5.109 2.360 1.00 1.77 N ATOM 0 H ASN A 70 118.830 2.966 2.077 1.00 0.30 H new ATOM 0 HA ASN A 70 117.919 5.341 3.607 1.00 0.30 H new ATOM 0 HB2 ASN A 70 117.070 2.401 3.584 1.00 0.30 H new ATOM 0 HB3 ASN A 70 116.312 3.637 4.569 1.00 0.30 H new ATOM 0 HD21 ASN A 70 114.963 5.392 1.573 1.00 1.77 H new ATOM 0 HD22 ASN A 70 115.796 5.787 3.080 1.00 1.77 H new ATOM 1106 N ALA A 71 118.464 4.327 6.024 1.00 0.32 N ATOM 1107 CA ALA A 71 119.198 4.065 7.296 1.00 0.34 C ATOM 1108 C ALA A 71 119.406 2.563 7.511 1.00 0.32 C ATOM 1109 O ALA A 71 120.394 2.149 8.079 1.00 0.32 O ATOM 1110 CB ALA A 71 118.396 4.629 8.470 1.00 0.39 C ATOM 0 H ALA A 71 117.573 4.811 6.135 1.00 0.32 H new ATOM 0 HA ALA A 71 120.173 4.548 7.235 1.00 0.34 H new ATOM 0 HB1 ALA A 71 118.931 4.439 9.401 1.00 0.39 H new ATOM 0 HB2 ALA A 71 118.266 5.703 8.339 1.00 0.39 H new ATOM 0 HB3 ALA A 71 117.419 4.147 8.508 1.00 0.39 H new ATOM 1116 N LYS A 72 118.491 1.741 7.084 1.00 0.30 N ATOM 1117 CA LYS A 72 118.671 0.275 7.307 1.00 0.29 C ATOM 1118 C LYS A 72 119.736 -0.274 6.354 1.00 0.27 C ATOM 1119 O LYS A 72 120.531 -1.121 6.714 1.00 0.27 O ATOM 1120 CB LYS A 72 117.339 -0.452 7.083 1.00 0.29 C ATOM 1121 CG LYS A 72 116.988 -0.449 5.590 1.00 1.18 C ATOM 1122 CD LYS A 72 115.530 -0.883 5.382 1.00 1.29 C ATOM 1123 CE LYS A 72 115.412 -2.404 5.527 1.00 2.11 C ATOM 1124 NZ LYS A 72 114.014 -2.820 5.221 1.00 2.58 N ATOM 0 H LYS A 72 117.637 2.012 6.597 1.00 0.30 H new ATOM 0 HA LYS A 72 118.999 0.109 8.333 1.00 0.29 H new ATOM 0 HB2 LYS A 72 117.408 -1.477 7.447 1.00 0.29 H new ATOM 0 HB3 LYS A 72 116.548 0.036 7.653 1.00 0.29 H new ATOM 0 HG2 LYS A 72 117.140 0.548 5.176 1.00 1.18 H new ATOM 0 HG3 LYS A 72 117.655 -1.123 5.052 1.00 1.18 H new ATOM 0 HD2 LYS A 72 114.887 -0.389 6.110 1.00 1.29 H new ATOM 0 HD3 LYS A 72 115.188 -0.576 4.394 1.00 1.29 H new ATOM 0 HE2 LYS A 72 116.108 -2.901 4.851 1.00 2.11 H new ATOM 0 HE3 LYS A 72 115.681 -2.706 6.539 1.00 2.11 H new ATOM 0 HZ1 LYS A 72 113.930 -3.852 5.318 1.00 2.58 H new ATOM 0 HZ2 LYS A 72 113.361 -2.355 5.883 1.00 2.58 H new ATOM 0 HZ3 LYS A 72 113.775 -2.543 4.247 1.00 2.58 H new ATOM 1138 N GLN A 73 119.740 0.186 5.132 1.00 0.26 N ATOM 1139 CA GLN A 73 120.726 -0.313 4.134 1.00 0.25 C ATOM 1140 C GLN A 73 122.141 0.119 4.511 1.00 0.25 C ATOM 1141 O GLN A 73 123.089 -0.626 4.361 1.00 0.25 O ATOM 1142 CB GLN A 73 120.378 0.254 2.755 1.00 0.26 C ATOM 1143 CG GLN A 73 119.072 -0.370 2.255 1.00 0.29 C ATOM 1144 CD GLN A 73 119.294 -1.848 1.936 1.00 1.24 C ATOM 1145 OE1 GLN A 73 118.621 -2.705 2.474 1.00 2.12 O ATOM 1146 NE2 GLN A 73 120.211 -2.187 1.074 1.00 1.88 N ATOM 0 H GLN A 73 119.095 0.894 4.780 1.00 0.26 H new ATOM 0 HA GLN A 73 120.685 -1.402 4.116 1.00 0.25 H new ATOM 0 HB2 GLN A 73 120.276 1.338 2.812 1.00 0.26 H new ATOM 0 HB3 GLN A 73 121.184 0.046 2.052 1.00 0.26 H new ATOM 0 HG2 GLN A 73 118.295 -0.265 3.012 1.00 0.29 H new ATOM 0 HG3 GLN A 73 118.724 0.155 1.366 1.00 0.29 H new ATOM 0 HE21 GLN A 73 120.776 -1.469 0.622 1.00 1.88 H new ATOM 0 HE22 GLN A 73 120.363 -3.171 0.852 1.00 1.88 H new ATOM 1155 N SER A 74 122.295 1.323 4.983 1.00 0.26 N ATOM 1156 CA SER A 74 123.653 1.806 5.348 1.00 0.27 C ATOM 1157 C SER A 74 124.176 1.029 6.559 1.00 0.26 C ATOM 1158 O SER A 74 125.347 0.716 6.644 1.00 0.26 O ATOM 1159 CB SER A 74 123.596 3.301 5.667 1.00 0.30 C ATOM 1160 OG SER A 74 124.894 3.858 5.516 1.00 1.36 O ATOM 0 H SER A 74 121.540 1.993 5.132 1.00 0.26 H new ATOM 0 HA SER A 74 124.330 1.645 4.509 1.00 0.27 H new ATOM 0 HB2 SER A 74 122.892 3.801 5.001 1.00 0.30 H new ATOM 0 HB3 SER A 74 123.237 3.455 6.684 1.00 0.30 H new ATOM 0 HG SER A 74 124.919 4.415 4.710 1.00 1.36 H new ATOM 1166 N ARG A 75 123.325 0.709 7.499 1.00 0.27 N ATOM 1167 CA ARG A 75 123.791 -0.050 8.693 1.00 0.28 C ATOM 1168 C ARG A 75 124.366 -1.394 8.254 1.00 0.26 C ATOM 1169 O ARG A 75 125.321 -1.877 8.828 1.00 0.27 O ATOM 1170 CB ARG A 75 122.626 -0.259 9.664 1.00 0.30 C ATOM 1171 CG ARG A 75 122.324 1.066 10.374 1.00 0.33 C ATOM 1172 CD ARG A 75 121.157 0.882 11.350 1.00 0.61 C ATOM 1173 NE ARG A 75 120.520 2.212 11.630 1.00 1.34 N ATOM 1174 CZ ARG A 75 121.225 3.242 12.022 1.00 1.81 C ATOM 1175 NH1 ARG A 75 122.471 3.099 12.383 1.00 1.88 N ATOM 1176 NH2 ARG A 75 120.660 4.415 12.108 1.00 2.80 N ATOM 0 H ARG A 75 122.332 0.940 7.490 1.00 0.27 H new ATOM 0 HA ARG A 75 124.570 0.517 9.202 1.00 0.28 H new ATOM 0 HB2 ARG A 75 121.745 -0.607 9.125 1.00 0.30 H new ATOM 0 HB3 ARG A 75 122.878 -1.028 10.394 1.00 0.30 H new ATOM 0 HG2 ARG A 75 123.208 1.410 10.911 1.00 0.33 H new ATOM 0 HG3 ARG A 75 122.078 1.834 9.640 1.00 0.33 H new ATOM 0 HD2 ARG A 75 120.422 0.197 10.928 1.00 0.61 H new ATOM 0 HD3 ARG A 75 121.513 0.435 12.278 1.00 0.61 H new ATOM 0 HE ARG A 75 119.512 2.315 11.512 1.00 1.34 H new ATOM 0 HH11 ARG A 75 122.906 2.176 12.361 1.00 1.88 H new ATOM 0 HH12 ARG A 75 123.010 3.910 12.687 1.00 1.88 H new ATOM 0 HH21 ARG A 75 119.674 4.525 11.870 1.00 2.80 H new ATOM 0 HH22 ARG A 75 121.204 5.222 12.413 1.00 2.80 H new ATOM 1190 N ASP A 76 123.794 -2.029 7.264 1.00 0.25 N ATOM 1191 CA ASP A 76 124.305 -3.356 6.824 1.00 0.24 C ATOM 1192 C ASP A 76 125.690 -3.215 6.191 1.00 0.23 C ATOM 1193 O ASP A 76 126.562 -4.032 6.410 1.00 0.23 O ATOM 1194 CB ASP A 76 123.338 -3.948 5.796 1.00 0.24 C ATOM 1195 CG ASP A 76 122.034 -4.346 6.489 1.00 0.25 C ATOM 1196 OD1 ASP A 76 122.063 -4.552 7.691 1.00 0.40 O ATOM 1197 OD2 ASP A 76 121.026 -4.435 5.805 1.00 0.39 O ATOM 0 H ASP A 76 122.991 -1.681 6.740 1.00 0.25 H new ATOM 0 HA ASP A 76 124.381 -4.011 7.692 1.00 0.24 H new ATOM 0 HB2 ASP A 76 123.137 -3.220 5.010 1.00 0.24 H new ATOM 0 HB3 ASP A 76 123.788 -4.818 5.317 1.00 0.24 H new ATOM 1202 N CYS A 77 125.913 -2.190 5.417 1.00 0.22 N ATOM 1203 CA CYS A 77 127.255 -2.021 4.791 1.00 0.22 C ATOM 1204 C CYS A 77 128.293 -1.707 5.868 1.00 0.22 C ATOM 1205 O CYS A 77 129.409 -2.183 5.817 1.00 0.21 O ATOM 1206 CB CYS A 77 127.204 -0.872 3.782 1.00 0.23 C ATOM 1207 SG CYS A 77 126.220 -1.373 2.349 1.00 0.24 S ATOM 0 H CYS A 77 125.230 -1.467 5.192 1.00 0.22 H new ATOM 0 HA CYS A 77 127.534 -2.944 4.282 1.00 0.22 H new ATOM 0 HB2 CYS A 77 126.768 0.014 4.245 1.00 0.23 H new ATOM 0 HB3 CYS A 77 128.213 -0.604 3.468 1.00 0.23 H new ATOM 0 HG CYS A 77 126.186 -2.671 2.278 1.00 0.24 H new ATOM 1213 N PHE A 78 127.953 -0.898 6.835 1.00 0.23 N ATOM 1214 CA PHE A 78 128.951 -0.560 7.885 1.00 0.25 C ATOM 1215 C PHE A 78 129.412 -1.832 8.595 1.00 0.24 C ATOM 1216 O PHE A 78 130.581 -2.163 8.595 1.00 0.23 O ATOM 1217 CB PHE A 78 128.311 0.396 8.895 1.00 0.29 C ATOM 1218 CG PHE A 78 129.302 0.730 9.983 1.00 0.32 C ATOM 1219 CD1 PHE A 78 130.162 1.826 9.839 1.00 0.36 C ATOM 1220 CD2 PHE A 78 129.353 -0.050 11.144 1.00 0.38 C ATOM 1221 CE1 PHE A 78 131.072 2.139 10.854 1.00 0.41 C ATOM 1222 CE2 PHE A 78 130.265 0.263 12.159 1.00 0.43 C ATOM 1223 CZ PHE A 78 131.124 1.358 12.014 1.00 0.43 C ATOM 0 H PHE A 78 127.037 -0.462 6.942 1.00 0.23 H new ATOM 0 HA PHE A 78 129.816 -0.082 7.425 1.00 0.25 H new ATOM 0 HB2 PHE A 78 127.988 1.308 8.392 1.00 0.29 H new ATOM 0 HB3 PHE A 78 127.421 -0.061 9.329 1.00 0.29 H new ATOM 0 HD1 PHE A 78 130.123 2.429 8.944 1.00 0.36 H new ATOM 0 HD2 PHE A 78 128.688 -0.894 11.257 1.00 0.38 H new ATOM 0 HE1 PHE A 78 131.735 2.984 10.742 1.00 0.41 H new ATOM 0 HE2 PHE A 78 130.306 -0.341 13.054 1.00 0.43 H new ATOM 0 HZ PHE A 78 131.827 1.600 12.797 1.00 0.43 H new ATOM 1233 N GLY A 79 128.508 -2.544 9.208 1.00 0.25 N ATOM 1234 CA GLY A 79 128.891 -3.792 9.927 1.00 0.26 C ATOM 1235 C GLY A 79 129.488 -4.810 8.951 1.00 0.24 C ATOM 1236 O GLY A 79 130.379 -5.561 9.291 1.00 0.24 O ATOM 0 H GLY A 79 127.515 -2.314 9.242 1.00 0.25 H new ATOM 0 HA2 GLY A 79 129.614 -3.561 10.709 1.00 0.26 H new ATOM 0 HA3 GLY A 79 128.017 -4.219 10.418 1.00 0.26 H new ATOM 1240 N CYS A 80 129.007 -4.839 7.740 1.00 0.22 N ATOM 1241 CA CYS A 80 129.557 -5.811 6.753 1.00 0.22 C ATOM 1242 C CYS A 80 130.965 -5.389 6.341 1.00 0.22 C ATOM 1243 O CYS A 80 131.883 -6.185 6.340 1.00 0.23 O ATOM 1244 CB CYS A 80 128.654 -5.860 5.521 1.00 0.22 C ATOM 1245 SG CYS A 80 129.224 -7.171 4.409 1.00 0.25 S ATOM 0 H CYS A 80 128.262 -4.236 7.392 1.00 0.22 H new ATOM 0 HA CYS A 80 129.598 -6.800 7.209 1.00 0.22 H new ATOM 0 HB2 CYS A 80 127.622 -6.045 5.820 1.00 0.22 H new ATOM 0 HB3 CYS A 80 128.670 -4.899 5.007 1.00 0.22 H new ATOM 0 HG CYS A 80 128.753 -8.315 4.809 1.00 0.25 H new ATOM 1251 N LEU A 81 131.160 -4.141 6.016 1.00 0.21 N ATOM 1252 CA LEU A 81 132.531 -3.707 5.642 1.00 0.21 C ATOM 1253 C LEU A 81 133.400 -3.715 6.904 1.00 0.22 C ATOM 1254 O LEU A 81 134.550 -4.106 6.877 1.00 0.22 O ATOM 1255 CB LEU A 81 132.471 -2.288 5.062 1.00 0.22 C ATOM 1256 CG LEU A 81 131.571 -2.265 3.813 1.00 0.24 C ATOM 1257 CD1 LEU A 81 131.116 -0.831 3.533 1.00 0.30 C ATOM 1258 CD2 LEU A 81 132.341 -2.782 2.591 1.00 0.28 C ATOM 0 H LEU A 81 130.443 -3.416 5.994 1.00 0.21 H new ATOM 0 HA LEU A 81 132.954 -4.379 4.895 1.00 0.21 H new ATOM 0 HB2 LEU A 81 132.085 -1.597 5.811 1.00 0.22 H new ATOM 0 HB3 LEU A 81 133.474 -1.950 4.803 1.00 0.22 H new ATOM 0 HG LEU A 81 130.708 -2.905 3.997 1.00 0.24 H new ATOM 0 HD11 LEU A 81 130.479 -0.817 2.648 1.00 0.30 H new ATOM 0 HD12 LEU A 81 130.557 -0.453 4.389 1.00 0.30 H new ATOM 0 HD13 LEU A 81 131.988 -0.199 3.362 1.00 0.30 H new ATOM 0 HD21 LEU A 81 131.692 -2.760 1.716 1.00 0.28 H new ATOM 0 HD22 LEU A 81 133.210 -2.149 2.414 1.00 0.28 H new ATOM 0 HD23 LEU A 81 132.669 -3.805 2.774 1.00 0.28 H new ATOM 1270 N ARG A 82 132.856 -3.282 8.013 1.00 0.22 N ATOM 1271 CA ARG A 82 133.644 -3.260 9.281 1.00 0.24 C ATOM 1272 C ARG A 82 134.037 -4.683 9.677 1.00 0.25 C ATOM 1273 O ARG A 82 135.132 -4.924 10.145 1.00 0.26 O ATOM 1274 CB ARG A 82 132.807 -2.624 10.398 1.00 0.28 C ATOM 1275 CG ARG A 82 133.612 -2.588 11.704 1.00 0.33 C ATOM 1276 CD ARG A 82 132.770 -1.934 12.802 1.00 0.84 C ATOM 1277 NE ARG A 82 133.551 -1.895 14.084 1.00 1.41 N ATOM 1278 CZ ARG A 82 133.965 -2.987 14.669 1.00 1.95 C ATOM 1279 NH1 ARG A 82 133.572 -4.155 14.242 1.00 2.25 N ATOM 1280 NH2 ARG A 82 134.737 -2.909 15.718 1.00 2.73 N ATOM 0 H ARG A 82 131.898 -2.942 8.094 1.00 0.22 H new ATOM 0 HA ARG A 82 134.549 -2.671 9.128 1.00 0.24 H new ATOM 0 HB2 ARG A 82 132.515 -1.613 10.114 1.00 0.28 H new ATOM 0 HB3 ARG A 82 131.888 -3.192 10.543 1.00 0.28 H new ATOM 0 HG2 ARG A 82 133.893 -3.599 11.999 1.00 0.33 H new ATOM 0 HG3 ARG A 82 134.537 -2.030 11.559 1.00 0.33 H new ATOM 0 HD2 ARG A 82 132.489 -0.923 12.505 1.00 0.84 H new ATOM 0 HD3 ARG A 82 131.845 -2.492 12.945 1.00 0.84 H new ATOM 0 HE ARG A 82 133.764 -0.992 14.509 1.00 1.41 H new ATOM 0 HH11 ARG A 82 132.937 -4.220 13.446 1.00 2.25 H new ATOM 0 HH12 ARG A 82 133.899 -5.003 14.704 1.00 2.25 H new ATOM 0 HH21 ARG A 82 135.016 -1.997 16.079 1.00 2.73 H new ATOM 0 HH22 ARG A 82 135.062 -3.760 16.177 1.00 2.73 H new ATOM 1294 N GLU A 83 133.153 -5.629 9.512 1.00 0.25 N ATOM 1295 CA GLU A 83 133.481 -7.029 9.898 1.00 0.28 C ATOM 1296 C GLU A 83 134.531 -7.612 8.953 1.00 0.27 C ATOM 1297 O GLU A 83 135.415 -8.329 9.379 1.00 0.29 O ATOM 1298 CB GLU A 83 132.212 -7.892 9.878 1.00 0.30 C ATOM 1299 CG GLU A 83 131.380 -7.604 11.135 1.00 0.33 C ATOM 1300 CD GLU A 83 130.023 -8.303 11.028 1.00 1.19 C ATOM 1301 OE1 GLU A 83 129.788 -8.946 10.020 1.00 1.91 O ATOM 1302 OE2 GLU A 83 129.247 -8.188 11.963 1.00 1.56 O ATOM 0 H GLU A 83 132.219 -5.492 9.127 1.00 0.25 H new ATOM 0 HA GLU A 83 133.890 -7.025 10.909 1.00 0.28 H new ATOM 0 HB2 GLU A 83 131.627 -7.677 8.984 1.00 0.30 H new ATOM 0 HB3 GLU A 83 132.478 -8.948 9.839 1.00 0.30 H new ATOM 0 HG2 GLU A 83 131.910 -7.952 12.021 1.00 0.33 H new ATOM 0 HG3 GLU A 83 131.238 -6.529 11.250 1.00 0.33 H new ATOM 1309 N TRP A 84 134.478 -7.312 7.683 1.00 0.25 N ATOM 1310 CA TRP A 84 135.517 -7.860 6.770 1.00 0.25 C ATOM 1311 C TRP A 84 136.870 -7.353 7.263 1.00 0.27 C ATOM 1312 O TRP A 84 137.834 -8.087 7.349 1.00 0.28 O ATOM 1313 CB TRP A 84 135.266 -7.370 5.342 1.00 0.25 C ATOM 1314 CG TRP A 84 136.221 -8.045 4.412 1.00 0.27 C ATOM 1315 CD1 TRP A 84 135.980 -9.215 3.780 1.00 0.30 C ATOM 1316 CD2 TRP A 84 137.554 -7.623 3.998 1.00 0.30 C ATOM 1317 NE1 TRP A 84 137.078 -9.542 3.007 1.00 0.33 N ATOM 1318 CE2 TRP A 84 138.074 -8.594 3.107 1.00 0.32 C ATOM 1319 CE3 TRP A 84 138.354 -6.510 4.305 1.00 0.31 C ATOM 1320 CZ2 TRP A 84 139.340 -8.464 2.542 1.00 0.36 C ATOM 1321 CZ3 TRP A 84 139.633 -6.376 3.737 1.00 0.35 C ATOM 1322 CH2 TRP A 84 140.124 -7.351 2.858 1.00 0.37 C ATOM 0 H TRP A 84 133.772 -6.721 7.245 1.00 0.25 H new ATOM 0 HA TRP A 84 135.492 -8.950 6.766 1.00 0.25 H new ATOM 0 HB2 TRP A 84 134.239 -7.586 5.047 1.00 0.25 H new ATOM 0 HB3 TRP A 84 135.392 -6.289 5.289 1.00 0.25 H new ATOM 0 HD1 TRP A 84 135.076 -9.800 3.865 1.00 0.30 H new ATOM 0 HE1 TRP A 84 137.143 -10.382 2.433 1.00 0.33 H new ATOM 0 HE3 TRP A 84 137.985 -5.753 4.981 1.00 0.31 H new ATOM 0 HZ2 TRP A 84 139.713 -9.218 1.865 1.00 0.36 H new ATOM 0 HZ3 TRP A 84 140.241 -5.517 3.979 1.00 0.35 H new ATOM 0 HH2 TRP A 84 141.107 -7.242 2.425 1.00 0.37 H new ATOM 1333 N CYS A 85 136.935 -6.095 7.605 1.00 0.27 N ATOM 1334 CA CYS A 85 138.208 -5.519 8.117 1.00 0.30 C ATOM 1335 C CYS A 85 138.611 -6.263 9.393 1.00 0.33 C ATOM 1336 O CYS A 85 139.766 -6.569 9.614 1.00 0.36 O ATOM 1337 CB CYS A 85 137.981 -4.038 8.437 1.00 0.33 C ATOM 1338 SG CYS A 85 137.941 -3.086 6.899 1.00 0.33 S ATOM 0 H CYS A 85 136.156 -5.439 7.551 1.00 0.27 H new ATOM 0 HA CYS A 85 138.998 -5.619 7.372 1.00 0.30 H new ATOM 0 HB2 CYS A 85 137.044 -3.912 8.979 1.00 0.33 H new ATOM 0 HB3 CYS A 85 138.776 -3.669 9.085 1.00 0.33 H new ATOM 0 HG CYS A 85 137.746 -1.830 7.171 1.00 0.33 H new ATOM 1344 N ASP A 86 137.655 -6.557 10.227 1.00 0.34 N ATOM 1345 CA ASP A 86 137.949 -7.286 11.492 1.00 0.39 C ATOM 1346 C ASP A 86 138.550 -8.656 11.170 1.00 0.41 C ATOM 1347 O ASP A 86 139.429 -9.139 11.856 1.00 0.43 O ATOM 1348 CB ASP A 86 136.654 -7.476 12.281 1.00 0.41 C ATOM 1349 CG ASP A 86 136.180 -6.123 12.813 1.00 0.42 C ATOM 1350 OD1 ASP A 86 137.019 -5.260 13.018 1.00 0.55 O ATOM 1351 OD2 ASP A 86 134.984 -5.969 12.999 1.00 0.51 O ATOM 0 H ASP A 86 136.673 -6.321 10.086 1.00 0.34 H new ATOM 0 HA ASP A 86 138.659 -6.709 12.084 1.00 0.39 H new ATOM 0 HB2 ASP A 86 135.888 -7.917 11.643 1.00 0.41 H new ATOM 0 HB3 ASP A 86 136.817 -8.167 13.108 1.00 0.41 H new ATOM 1356 N ALA A 87 138.063 -9.298 10.138 1.00 0.41 N ATOM 1357 CA ALA A 87 138.581 -10.650 9.777 1.00 0.43 C ATOM 1358 C ALA A 87 139.787 -10.520 8.846 1.00 0.43 C ATOM 1359 O ALA A 87 140.720 -11.295 8.920 1.00 0.48 O ATOM 1360 CB ALA A 87 137.478 -11.437 9.066 1.00 0.41 C ATOM 0 H ALA A 87 137.327 -8.942 9.529 1.00 0.41 H new ATOM 0 HA ALA A 87 138.886 -11.171 10.685 1.00 0.43 H new ATOM 0 HB1 ALA A 87 137.851 -12.426 8.800 1.00 0.41 H new ATOM 0 HB2 ALA A 87 136.619 -11.539 9.729 1.00 0.41 H new ATOM 0 HB3 ALA A 87 137.178 -10.907 8.162 1.00 0.41 H new ATOM 1366 N PHE A 88 139.769 -9.559 7.958 1.00 0.40 N ATOM 1367 CA PHE A 88 140.904 -9.392 6.998 1.00 0.44 C ATOM 1368 C PHE A 88 141.756 -8.193 7.400 1.00 0.54 C ATOM 1369 O PHE A 88 142.736 -8.321 8.109 1.00 1.24 O ATOM 1370 CB PHE A 88 140.343 -9.137 5.597 1.00 0.41 C ATOM 1371 CG PHE A 88 139.715 -10.394 5.051 1.00 0.39 C ATOM 1372 CD1 PHE A 88 138.360 -10.659 5.279 1.00 0.35 C ATOM 1373 CD2 PHE A 88 140.487 -11.290 4.302 1.00 0.44 C ATOM 1374 CE1 PHE A 88 137.777 -11.820 4.759 1.00 0.40 C ATOM 1375 CE2 PHE A 88 139.905 -12.452 3.784 1.00 0.47 C ATOM 1376 CZ PHE A 88 138.550 -12.717 4.011 1.00 0.45 C ATOM 0 H PHE A 88 139.015 -8.880 7.855 1.00 0.40 H new ATOM 0 HA PHE A 88 141.513 -10.296 7.009 1.00 0.44 H new ATOM 0 HB2 PHE A 88 139.602 -8.338 5.634 1.00 0.41 H new ATOM 0 HB3 PHE A 88 141.140 -8.802 4.933 1.00 0.41 H new ATOM 0 HD1 PHE A 88 137.764 -9.967 5.856 1.00 0.35 H new ATOM 0 HD2 PHE A 88 141.532 -11.084 4.124 1.00 0.44 H new ATOM 0 HE1 PHE A 88 136.731 -12.024 4.934 1.00 0.40 H new ATOM 0 HE2 PHE A 88 140.502 -13.145 3.209 1.00 0.47 H new ATOM 0 HZ PHE A 88 138.100 -13.613 3.609 1.00 0.45 H new ATOM 1386 N LEU A 89 141.408 -7.029 6.927 1.00 0.39 N ATOM 1387 CA LEU A 89 142.196 -5.805 7.236 1.00 0.36 C ATOM 1388 C LEU A 89 141.838 -5.298 8.635 1.00 0.87 C ATOM 1389 O LEU A 89 140.856 -4.592 8.754 1.00 1.43 O ATOM 1390 CB LEU A 89 141.833 -4.751 6.183 1.00 0.74 C ATOM 1391 CG LEU A 89 142.401 -3.377 6.553 1.00 0.47 C ATOM 1392 CD1 LEU A 89 143.892 -3.498 6.876 1.00 1.00 C ATOM 1393 CD2 LEU A 89 142.206 -2.419 5.365 1.00 1.28 C ATOM 1394 OXT LEU A 89 142.554 -5.631 9.564 1.00 1.66 O ATOM 0 H LEU A 89 140.597 -6.873 6.329 1.00 0.39 H new ATOM 0 HA LEU A 89 143.265 -6.015 7.215 1.00 0.36 H new ATOM 0 HB2 LEU A 89 142.219 -5.057 5.211 1.00 0.74 H new ATOM 0 HB3 LEU A 89 140.749 -4.686 6.089 1.00 0.74 H new ATOM 0 HG LEU A 89 141.880 -2.991 7.429 1.00 0.47 H new ATOM 0 HD11 LEU A 89 144.288 -2.517 7.138 1.00 1.00 H new ATOM 0 HD12 LEU A 89 144.028 -4.180 7.715 1.00 1.00 H new ATOM 0 HD13 LEU A 89 144.423 -3.883 6.005 1.00 1.00 H new ATOM 0 HD21 LEU A 89 142.607 -1.438 5.619 1.00 1.28 H new ATOM 0 HD22 LEU A 89 142.729 -2.810 4.492 1.00 1.28 H new ATOM 0 HD23 LEU A 89 141.143 -2.329 5.141 1.00 1.28 H new TER 1406 LEU A 89 ATOM 1407 N MET B 1 165.584 -5.695 -7.307 1.00 3.74 N ATOM 1408 CA MET B 1 164.893 -4.627 -6.530 1.00 3.26 C ATOM 1409 C MET B 1 164.993 -4.938 -5.035 1.00 2.28 C ATOM 1410 O MET B 1 164.155 -5.619 -4.478 1.00 2.68 O ATOM 1411 CB MET B 1 163.421 -4.579 -6.943 1.00 3.75 C ATOM 1412 CG MET B 1 163.305 -4.033 -8.368 1.00 4.33 C ATOM 1413 SD MET B 1 161.561 -3.980 -8.853 1.00 5.04 S ATOM 1414 CE MET B 1 161.278 -5.769 -8.929 1.00 5.66 C ATOM 0 H1 MET B 1 165.756 -5.362 -8.277 1.00 3.74 H new ATOM 0 H2 MET B 1 166.491 -5.923 -6.853 1.00 3.74 H new ATOM 0 H3 MET B 1 164.987 -6.546 -7.334 1.00 3.74 H new ATOM 0 HA MET B 1 165.363 -3.664 -6.731 1.00 3.26 H new ATOM 0 HB2 MET B 1 162.985 -5.576 -6.888 1.00 3.75 H new ATOM 0 HB3 MET B 1 162.860 -3.948 -6.254 1.00 3.75 H new ATOM 0 HG2 MET B 1 163.739 -3.035 -8.423 1.00 4.33 H new ATOM 0 HG3 MET B 1 163.866 -4.664 -9.057 1.00 4.33 H new ATOM 0 HE1 MET B 1 160.464 -5.979 -9.623 1.00 5.66 H new ATOM 0 HE2 MET B 1 162.185 -6.267 -9.272 1.00 5.66 H new ATOM 0 HE3 MET B 1 161.015 -6.138 -7.938 1.00 5.66 H new ATOM 1426 N THR B 2 166.009 -4.445 -4.376 1.00 1.63 N ATOM 1427 CA THR B 2 166.152 -4.719 -2.914 1.00 1.44 C ATOM 1428 C THR B 2 165.356 -3.682 -2.122 1.00 1.17 C ATOM 1429 O THR B 2 165.714 -2.522 -2.065 1.00 1.22 O ATOM 1430 CB THR B 2 167.627 -4.629 -2.517 1.00 2.22 C ATOM 1431 OG1 THR B 2 168.382 -5.572 -3.266 1.00 2.78 O ATOM 1432 CG2 THR B 2 167.771 -4.927 -1.023 1.00 3.02 C ATOM 0 H THR B 2 166.743 -3.867 -4.784 1.00 1.63 H new ATOM 0 HA THR B 2 165.775 -5.718 -2.696 1.00 1.44 H new ATOM 0 HB THR B 2 167.998 -3.625 -2.725 1.00 2.22 H new ATOM 0 HG1 THR B 2 169.326 -5.511 -3.011 1.00 2.78 H new ATOM 0 HG21 THR B 2 168.821 -4.863 -0.739 1.00 3.02 H new ATOM 0 HG22 THR B 2 167.195 -4.200 -0.450 1.00 3.02 H new ATOM 0 HG23 THR B 2 167.399 -5.930 -0.815 1.00 3.02 H new ATOM 1440 N THR B 3 164.280 -4.092 -1.504 1.00 0.96 N ATOM 1441 CA THR B 3 163.453 -3.138 -0.703 1.00 0.76 C ATOM 1442 C THR B 3 163.815 -3.277 0.778 1.00 0.69 C ATOM 1443 O THR B 3 164.434 -4.239 1.187 1.00 0.75 O ATOM 1444 CB THR B 3 161.972 -3.465 -0.900 1.00 0.69 C ATOM 1445 OG1 THR B 3 161.716 -4.788 -0.452 1.00 0.80 O ATOM 1446 CG2 THR B 3 161.617 -3.349 -2.383 1.00 0.76 C ATOM 0 H THR B 3 163.935 -5.052 -1.519 1.00 0.96 H new ATOM 0 HA THR B 3 163.647 -2.117 -1.031 1.00 0.76 H new ATOM 0 HB THR B 3 161.365 -2.764 -0.327 1.00 0.69 H new ATOM 0 HG1 THR B 3 161.224 -5.278 -1.144 1.00 0.80 H new ATOM 0 HG21 THR B 3 160.562 -3.582 -2.524 1.00 0.76 H new ATOM 0 HG22 THR B 3 161.813 -2.333 -2.726 1.00 0.76 H new ATOM 0 HG23 THR B 3 162.223 -4.049 -2.958 1.00 0.76 H new ATOM 1454 N SER B 4 163.429 -2.328 1.585 1.00 0.63 N ATOM 1455 CA SER B 4 163.750 -2.411 3.038 1.00 0.62 C ATOM 1456 C SER B 4 162.926 -3.532 3.672 1.00 0.60 C ATOM 1457 O SER B 4 161.983 -4.037 3.096 1.00 0.58 O ATOM 1458 CB SER B 4 163.418 -1.082 3.718 1.00 0.63 C ATOM 1459 OG SER B 4 163.809 -1.144 5.083 1.00 1.50 O ATOM 0 H SER B 4 162.906 -1.499 1.302 1.00 0.63 H new ATOM 0 HA SER B 4 164.812 -2.620 3.164 1.00 0.62 H new ATOM 0 HB2 SER B 4 163.935 -0.264 3.216 1.00 0.63 H new ATOM 0 HB3 SER B 4 162.350 -0.878 3.642 1.00 0.63 H new ATOM 0 HG SER B 4 163.600 -0.293 5.522 1.00 1.50 H new ATOM 1465 N GLN B 5 163.303 -3.935 4.854 1.00 0.63 N ATOM 1466 CA GLN B 5 162.588 -5.040 5.550 1.00 0.64 C ATOM 1467 C GLN B 5 161.114 -4.676 5.738 1.00 0.60 C ATOM 1468 O GLN B 5 160.262 -5.538 5.826 1.00 0.60 O ATOM 1469 CB GLN B 5 163.243 -5.273 6.913 1.00 0.71 C ATOM 1470 CG GLN B 5 162.593 -6.472 7.606 1.00 1.34 C ATOM 1471 CD GLN B 5 163.315 -6.742 8.928 1.00 1.59 C ATOM 1472 OE1 GLN B 5 164.354 -6.172 9.193 1.00 2.09 O ATOM 1473 NE2 GLN B 5 162.809 -7.599 9.774 1.00 2.18 N ATOM 0 H GLN B 5 164.087 -3.540 5.373 1.00 0.63 H new ATOM 0 HA GLN B 5 162.649 -5.948 4.951 1.00 0.64 H new ATOM 0 HB2 GLN B 5 164.311 -5.450 6.787 1.00 0.71 H new ATOM 0 HB3 GLN B 5 163.138 -4.383 7.533 1.00 0.71 H new ATOM 0 HG2 GLN B 5 161.537 -6.273 7.789 1.00 1.34 H new ATOM 0 HG3 GLN B 5 162.645 -7.351 6.963 1.00 1.34 H new ATOM 0 HE21 GLN B 5 161.936 -8.079 9.553 1.00 2.18 H new ATOM 0 HE22 GLN B 5 163.286 -7.788 10.655 1.00 2.18 H new ATOM 1482 N LYS B 6 160.798 -3.409 5.801 1.00 0.59 N ATOM 1483 CA LYS B 6 159.374 -3.012 5.983 1.00 0.57 C ATOM 1484 C LYS B 6 158.541 -3.543 4.816 1.00 0.51 C ATOM 1485 O LYS B 6 157.399 -3.924 4.981 1.00 0.50 O ATOM 1486 CB LYS B 6 159.257 -1.487 6.037 1.00 0.58 C ATOM 1487 CG LYS B 6 159.867 -0.981 7.344 1.00 0.66 C ATOM 1488 CD LYS B 6 159.755 0.543 7.406 1.00 0.80 C ATOM 1489 CE LYS B 6 160.367 1.044 8.716 1.00 1.25 C ATOM 1490 NZ LYS B 6 160.330 2.533 8.742 1.00 2.01 N ATOM 0 H LYS B 6 161.461 -2.637 5.735 1.00 0.59 H new ATOM 0 HA LYS B 6 159.006 -3.433 6.918 1.00 0.57 H new ATOM 0 HB2 LYS B 6 159.771 -1.041 5.185 1.00 0.58 H new ATOM 0 HB3 LYS B 6 158.211 -1.188 5.971 1.00 0.58 H new ATOM 0 HG2 LYS B 6 159.353 -1.428 8.194 1.00 0.66 H new ATOM 0 HG3 LYS B 6 160.913 -1.282 7.410 1.00 0.66 H new ATOM 0 HD2 LYS B 6 160.270 0.991 6.556 1.00 0.80 H new ATOM 0 HD3 LYS B 6 158.710 0.845 7.341 1.00 0.80 H new ATOM 0 HE2 LYS B 6 159.816 0.641 9.565 1.00 1.25 H new ATOM 0 HE3 LYS B 6 161.395 0.693 8.808 1.00 1.25 H new ATOM 0 HZ1 LYS B 6 160.746 2.875 9.632 1.00 2.01 H new ATOM 0 HZ2 LYS B 6 160.874 2.908 7.939 1.00 2.01 H new ATOM 0 HZ3 LYS B 6 159.344 2.857 8.673 1.00 2.01 H new ATOM 1504 N HIS B 7 159.094 -3.565 3.636 1.00 0.49 N ATOM 1505 CA HIS B 7 158.321 -4.062 2.464 1.00 0.45 C ATOM 1506 C HIS B 7 157.873 -5.508 2.700 1.00 0.45 C ATOM 1507 O HIS B 7 156.716 -5.841 2.534 1.00 0.43 O ATOM 1508 CB HIS B 7 159.210 -3.985 1.214 1.00 0.45 C ATOM 1509 CG HIS B 7 158.555 -4.690 0.055 1.00 0.42 C ATOM 1510 ND1 HIS B 7 157.633 -4.067 -0.778 1.00 0.39 N ATOM 1511 CD2 HIS B 7 158.696 -5.966 -0.433 1.00 0.45 C ATOM 1512 CE1 HIS B 7 157.261 -4.965 -1.713 1.00 0.38 C ATOM 1513 NE2 HIS B 7 157.880 -6.133 -1.544 1.00 0.42 N ATOM 0 H HIS B 7 160.046 -3.261 3.432 1.00 0.49 H new ATOM 0 HA HIS B 7 157.433 -3.445 2.324 1.00 0.45 H new ATOM 0 HB2 HIS B 7 159.394 -2.942 0.956 1.00 0.45 H new ATOM 0 HB3 HIS B 7 160.179 -4.438 1.422 1.00 0.45 H new ATOM 0 HD1 HIS B 7 157.299 -3.107 -0.697 1.00 0.39 H new ATOM 0 HD2 HIS B 7 159.343 -6.724 -0.016 1.00 0.45 H new ATOM 0 HE1 HIS B 7 156.550 -4.763 -2.500 1.00 0.38 H new ATOM 1521 N ARG B 8 158.775 -6.373 3.091 1.00 0.48 N ATOM 1522 CA ARG B 8 158.400 -7.793 3.341 1.00 0.50 C ATOM 1523 C ARG B 8 157.532 -7.885 4.598 1.00 0.51 C ATOM 1524 O ARG B 8 156.659 -8.720 4.700 1.00 0.51 O ATOM 1525 CB ARG B 8 159.674 -8.624 3.539 1.00 0.55 C ATOM 1526 CG ARG B 8 160.433 -8.749 2.207 1.00 0.57 C ATOM 1527 CD ARG B 8 159.722 -9.730 1.253 1.00 1.00 C ATOM 1528 NE ARG B 8 158.717 -8.993 0.438 1.00 1.70 N ATOM 1529 CZ ARG B 8 158.217 -9.540 -0.636 1.00 2.29 C ATOM 1530 NH1 ARG B 8 158.600 -10.733 -1.002 1.00 2.43 N ATOM 1531 NH2 ARG B 8 157.333 -8.893 -1.345 1.00 3.23 N ATOM 0 H ARG B 8 159.759 -6.153 3.248 1.00 0.48 H new ATOM 0 HA ARG B 8 157.839 -8.176 2.488 1.00 0.50 H new ATOM 0 HB2 ARG B 8 160.312 -8.154 4.288 1.00 0.55 H new ATOM 0 HB3 ARG B 8 159.417 -9.614 3.915 1.00 0.55 H new ATOM 0 HG2 ARG B 8 160.510 -7.769 1.735 1.00 0.57 H new ATOM 0 HG3 ARG B 8 161.450 -9.093 2.395 1.00 0.57 H new ATOM 0 HD2 ARG B 8 160.451 -10.212 0.601 1.00 1.00 H new ATOM 0 HD3 ARG B 8 159.234 -10.519 1.824 1.00 1.00 H new ATOM 0 HE ARG B 8 158.419 -8.059 0.720 1.00 1.70 H new ATOM 0 HH11 ARG B 8 159.291 -11.239 -0.448 1.00 2.43 H new ATOM 0 HH12 ARG B 8 158.208 -11.159 -1.842 1.00 2.43 H new ATOM 0 HH21 ARG B 8 157.034 -7.961 -1.059 1.00 3.23 H new ATOM 0 HH22 ARG B 8 156.941 -9.320 -2.185 1.00 3.23 H new ATOM 1545 N ASP B 9 157.767 -7.033 5.552 1.00 0.52 N ATOM 1546 CA ASP B 9 156.951 -7.085 6.801 1.00 0.54 C ATOM 1547 C ASP B 9 155.505 -6.711 6.488 1.00 0.49 C ATOM 1548 O ASP B 9 154.577 -7.288 7.018 1.00 0.48 O ATOM 1549 CB ASP B 9 157.496 -6.101 7.832 1.00 0.61 C ATOM 1550 CG ASP B 9 158.845 -6.594 8.358 1.00 0.68 C ATOM 1551 OD1 ASP B 9 159.131 -7.767 8.192 1.00 0.67 O ATOM 1552 OD2 ASP B 9 159.563 -5.789 8.927 1.00 0.76 O ATOM 0 H ASP B 9 158.482 -6.306 5.526 1.00 0.52 H new ATOM 0 HA ASP B 9 156.999 -8.098 7.202 1.00 0.54 H new ATOM 0 HB2 ASP B 9 157.609 -5.115 7.382 1.00 0.61 H new ATOM 0 HB3 ASP B 9 156.791 -5.996 8.656 1.00 0.61 H new ATOM 1557 N PHE B 10 155.304 -5.742 5.645 1.00 0.46 N ATOM 1558 CA PHE B 10 153.914 -5.327 5.318 1.00 0.43 C ATOM 1559 C PHE B 10 153.172 -6.489 4.643 1.00 0.37 C ATOM 1560 O PHE B 10 152.063 -6.825 5.009 1.00 0.36 O ATOM 1561 CB PHE B 10 153.975 -4.120 4.372 1.00 0.45 C ATOM 1562 CG PHE B 10 152.616 -3.463 4.264 1.00 0.43 C ATOM 1563 CD1 PHE B 10 152.103 -2.743 5.350 1.00 0.44 C ATOM 1564 CD2 PHE B 10 151.877 -3.559 3.078 1.00 0.43 C ATOM 1565 CE1 PHE B 10 150.852 -2.121 5.251 1.00 0.44 C ATOM 1566 CE2 PHE B 10 150.625 -2.937 2.980 1.00 0.43 C ATOM 1567 CZ PHE B 10 150.113 -2.218 4.065 1.00 0.43 C ATOM 0 H PHE B 10 156.039 -5.220 5.169 1.00 0.46 H new ATOM 0 HA PHE B 10 153.379 -5.055 6.228 1.00 0.43 H new ATOM 0 HB2 PHE B 10 154.706 -3.399 4.739 1.00 0.45 H new ATOM 0 HB3 PHE B 10 154.310 -4.440 3.385 1.00 0.45 H new ATOM 0 HD1 PHE B 10 152.672 -2.667 6.265 1.00 0.44 H new ATOM 0 HD2 PHE B 10 152.272 -4.112 2.239 1.00 0.43 H new ATOM 0 HE1 PHE B 10 150.457 -1.566 6.089 1.00 0.44 H new ATOM 0 HE2 PHE B 10 150.055 -3.013 2.066 1.00 0.43 H new ATOM 0 HZ PHE B 10 149.149 -1.738 3.988 1.00 0.43 H new ATOM 1577 N VAL B 11 153.769 -7.095 3.649 1.00 0.37 N ATOM 1578 CA VAL B 11 153.098 -8.225 2.927 1.00 0.35 C ATOM 1579 C VAL B 11 153.385 -9.582 3.595 1.00 0.36 C ATOM 1580 O VAL B 11 152.972 -10.611 3.099 1.00 0.37 O ATOM 1581 CB VAL B 11 153.612 -8.256 1.488 1.00 0.37 C ATOM 1582 CG1 VAL B 11 153.343 -6.902 0.826 1.00 0.44 C ATOM 1583 CG2 VAL B 11 155.117 -8.530 1.495 1.00 0.40 C ATOM 0 H VAL B 11 154.698 -6.856 3.302 1.00 0.37 H new ATOM 0 HA VAL B 11 152.021 -8.061 2.956 1.00 0.35 H new ATOM 0 HB VAL B 11 153.101 -9.042 0.932 1.00 0.37 H new ATOM 0 HG11 VAL B 11 153.708 -6.920 -0.201 1.00 0.44 H new ATOM 0 HG12 VAL B 11 152.271 -6.703 0.826 1.00 0.44 H new ATOM 0 HG13 VAL B 11 153.858 -6.117 1.380 1.00 0.44 H new ATOM 0 HG21 VAL B 11 155.487 -8.553 0.470 1.00 0.40 H new ATOM 0 HG22 VAL B 11 155.628 -7.742 2.048 1.00 0.40 H new ATOM 0 HG23 VAL B 11 155.310 -9.491 1.972 1.00 0.40 H new ATOM 1593 N ALA B 12 154.066 -9.606 4.715 1.00 0.41 N ATOM 1594 CA ALA B 12 154.342 -10.917 5.402 1.00 0.47 C ATOM 1595 C ALA B 12 153.320 -11.162 6.516 1.00 0.45 C ATOM 1596 O ALA B 12 153.132 -12.276 6.962 1.00 0.48 O ATOM 1597 CB ALA B 12 155.745 -10.906 6.010 1.00 0.53 C ATOM 0 H ALA B 12 154.443 -8.783 5.185 1.00 0.41 H new ATOM 0 HA ALA B 12 154.268 -11.713 4.661 1.00 0.47 H new ATOM 0 HB1 ALA B 12 155.935 -11.859 6.505 1.00 0.53 H new ATOM 0 HB2 ALA B 12 156.482 -10.753 5.222 1.00 0.53 H new ATOM 0 HB3 ALA B 12 155.820 -10.098 6.738 1.00 0.53 H new ATOM 1603 N GLU B 13 152.655 -10.133 6.966 1.00 0.42 N ATOM 1604 CA GLU B 13 151.642 -10.308 8.049 1.00 0.43 C ATOM 1605 C GLU B 13 150.630 -9.158 7.964 1.00 0.39 C ATOM 1606 O GLU B 13 150.969 -8.084 7.510 1.00 0.36 O ATOM 1607 CB GLU B 13 152.348 -10.296 9.417 1.00 0.46 C ATOM 1608 CG GLU B 13 153.261 -9.070 9.543 1.00 0.48 C ATOM 1609 CD GLU B 13 152.412 -7.813 9.745 1.00 0.62 C ATOM 1610 OE1 GLU B 13 151.607 -7.807 10.663 1.00 1.27 O ATOM 1611 OE2 GLU B 13 152.579 -6.880 8.977 1.00 1.04 O ATOM 0 H GLU B 13 152.769 -9.176 6.631 1.00 0.42 H new ATOM 0 HA GLU B 13 151.123 -11.259 7.932 1.00 0.43 H new ATOM 0 HB2 GLU B 13 151.606 -10.287 10.215 1.00 0.46 H new ATOM 0 HB3 GLU B 13 152.935 -11.207 9.538 1.00 0.46 H new ATOM 0 HG2 GLU B 13 153.944 -9.198 10.383 1.00 0.48 H new ATOM 0 HG3 GLU B 13 153.873 -8.967 8.647 1.00 0.48 H new ATOM 1618 N PRO B 14 149.405 -9.360 8.399 1.00 0.42 N ATOM 1619 CA PRO B 14 148.365 -8.296 8.367 1.00 0.40 C ATOM 1620 C PRO B 14 148.956 -6.907 8.638 1.00 0.36 C ATOM 1621 O PRO B 14 149.997 -6.775 9.251 1.00 0.36 O ATOM 1622 CB PRO B 14 147.415 -8.722 9.483 1.00 0.45 C ATOM 1623 CG PRO B 14 147.456 -10.221 9.457 1.00 0.49 C ATOM 1624 CD PRO B 14 148.864 -10.614 8.965 1.00 0.48 C ATOM 0 HA PRO B 14 147.882 -8.204 7.394 1.00 0.40 H new ATOM 0 HB2 PRO B 14 147.737 -8.333 10.449 1.00 0.45 H new ATOM 0 HB3 PRO B 14 146.406 -8.349 9.309 1.00 0.45 H new ATOM 0 HG2 PRO B 14 147.263 -10.631 10.448 1.00 0.49 H new ATOM 0 HG3 PRO B 14 146.688 -10.618 8.793 1.00 0.49 H new ATOM 0 HD2 PRO B 14 149.484 -10.984 9.782 1.00 0.48 H new ATOM 0 HD3 PRO B 14 148.819 -11.404 8.216 1.00 0.48 H new ATOM 1632 N MET B 15 148.313 -5.873 8.170 1.00 0.35 N ATOM 1633 CA MET B 15 148.850 -4.492 8.381 1.00 0.34 C ATOM 1634 C MET B 15 148.288 -3.891 9.675 1.00 0.35 C ATOM 1635 O MET B 15 148.877 -3.009 10.266 1.00 0.37 O ATOM 1636 CB MET B 15 148.486 -3.607 7.180 1.00 0.36 C ATOM 1637 CG MET B 15 146.979 -3.653 6.915 1.00 0.40 C ATOM 1638 SD MET B 15 146.655 -3.120 5.214 1.00 0.56 S ATOM 1639 CE MET B 15 146.783 -1.341 5.496 1.00 0.42 C ATOM 0 H MET B 15 147.437 -5.921 7.649 1.00 0.35 H new ATOM 0 HA MET B 15 149.935 -4.543 8.470 1.00 0.34 H new ATOM 0 HB2 MET B 15 148.796 -2.580 7.371 1.00 0.36 H new ATOM 0 HB3 MET B 15 149.027 -3.944 6.296 1.00 0.36 H new ATOM 0 HG2 MET B 15 146.601 -4.664 7.070 1.00 0.40 H new ATOM 0 HG3 MET B 15 146.454 -3.005 7.618 1.00 0.40 H new ATOM 0 HE1 MET B 15 146.493 -0.807 4.591 1.00 0.42 H new ATOM 0 HE2 MET B 15 146.123 -1.054 6.314 1.00 0.42 H new ATOM 0 HE3 MET B 15 147.811 -1.086 5.753 1.00 0.42 H new ATOM 1649 N GLY B 16 147.162 -4.368 10.132 1.00 0.36 N ATOM 1650 CA GLY B 16 146.580 -3.834 11.400 1.00 0.39 C ATOM 1651 C GLY B 16 146.545 -2.302 11.377 1.00 0.38 C ATOM 1652 O GLY B 16 146.155 -1.694 10.400 1.00 0.37 O ATOM 0 H GLY B 16 146.618 -5.105 9.683 1.00 0.36 H new ATOM 0 HA2 GLY B 16 145.571 -4.224 11.535 1.00 0.39 H new ATOM 0 HA3 GLY B 16 147.171 -4.177 12.250 1.00 0.39 H new ATOM 1656 N GLU B 17 146.924 -1.679 12.471 1.00 0.40 N ATOM 1657 CA GLU B 17 146.888 -0.181 12.560 1.00 0.41 C ATOM 1658 C GLU B 17 148.304 0.402 12.586 1.00 0.38 C ATOM 1659 O GLU B 17 148.533 1.453 13.149 1.00 0.39 O ATOM 1660 CB GLU B 17 146.167 0.219 13.849 1.00 0.46 C ATOM 1661 CG GLU B 17 144.680 -0.116 13.730 1.00 0.50 C ATOM 1662 CD GLU B 17 143.971 0.253 15.035 1.00 0.55 C ATOM 1663 OE1 GLU B 17 143.598 1.405 15.177 1.00 0.73 O ATOM 1664 OE2 GLU B 17 143.815 -0.624 15.868 1.00 0.84 O ATOM 0 H GLU B 17 147.259 -2.148 13.312 1.00 0.40 H new ATOM 0 HA GLU B 17 146.366 0.208 11.686 1.00 0.41 H new ATOM 0 HB2 GLU B 17 146.602 -0.307 14.699 1.00 0.46 H new ATOM 0 HB3 GLU B 17 146.296 1.285 14.034 1.00 0.46 H new ATOM 0 HG2 GLU B 17 144.238 0.430 12.896 1.00 0.50 H new ATOM 0 HG3 GLU B 17 144.551 -1.178 13.520 1.00 0.50 H new ATOM 1671 N LYS B 18 149.260 -0.255 11.990 1.00 0.36 N ATOM 1672 CA LYS B 18 150.640 0.310 12.015 1.00 0.35 C ATOM 1673 C LYS B 18 150.580 1.716 11.384 1.00 0.31 C ATOM 1674 O LYS B 18 149.753 1.974 10.532 1.00 0.30 O ATOM 1675 CB LYS B 18 151.605 -0.588 11.217 1.00 0.35 C ATOM 1676 CG LYS B 18 152.087 -1.780 12.071 1.00 0.45 C ATOM 1677 CD LYS B 18 151.048 -2.905 12.054 1.00 1.16 C ATOM 1678 CE LYS B 18 151.413 -3.954 13.108 1.00 1.44 C ATOM 1679 NZ LYS B 18 150.322 -4.965 13.203 1.00 2.02 N ATOM 0 H LYS B 18 149.151 -1.141 11.496 1.00 0.36 H new ATOM 0 HA LYS B 18 151.007 0.364 13.040 1.00 0.35 H new ATOM 0 HB2 LYS B 18 151.107 -0.957 10.320 1.00 0.35 H new ATOM 0 HB3 LYS B 18 152.463 -0.002 10.887 1.00 0.35 H new ATOM 0 HG2 LYS B 18 153.038 -2.149 11.687 1.00 0.45 H new ATOM 0 HG3 LYS B 18 152.262 -1.454 13.096 1.00 0.45 H new ATOM 0 HD2 LYS B 18 150.056 -2.501 12.256 1.00 1.16 H new ATOM 0 HD3 LYS B 18 151.010 -3.364 11.066 1.00 1.16 H new ATOM 0 HE2 LYS B 18 152.352 -4.440 12.842 1.00 1.44 H new ATOM 0 HE3 LYS B 18 151.565 -3.475 14.075 1.00 1.44 H new ATOM 0 HZ1 LYS B 18 150.570 -5.677 13.919 1.00 2.02 H new ATOM 0 HZ2 LYS B 18 149.435 -4.494 13.476 1.00 2.02 H new ATOM 0 HZ3 LYS B 18 150.198 -5.430 12.281 1.00 2.02 H new ATOM 1693 N PRO B 19 151.418 2.631 11.822 1.00 0.31 N ATOM 1694 CA PRO B 19 151.415 4.043 11.311 1.00 0.29 C ATOM 1695 C PRO B 19 151.633 4.138 9.793 1.00 0.25 C ATOM 1696 O PRO B 19 152.137 3.229 9.164 1.00 0.23 O ATOM 1697 CB PRO B 19 152.566 4.724 12.087 1.00 0.32 C ATOM 1698 CG PRO B 19 153.412 3.604 12.604 1.00 0.32 C ATOM 1699 CD PRO B 19 152.463 2.432 12.839 1.00 0.34 C ATOM 0 HA PRO B 19 150.448 4.520 11.470 1.00 0.29 H new ATOM 0 HB2 PRO B 19 153.141 5.384 11.438 1.00 0.32 H new ATOM 0 HB3 PRO B 19 152.182 5.336 12.903 1.00 0.32 H new ATOM 0 HG2 PRO B 19 154.189 3.339 11.887 1.00 0.32 H new ATOM 0 HG3 PRO B 19 153.915 3.890 13.528 1.00 0.32 H new ATOM 0 HD2 PRO B 19 152.968 1.474 12.714 1.00 0.34 H new ATOM 0 HD3 PRO B 19 152.050 2.445 13.848 1.00 0.34 H new ATOM 1707 N VAL B 20 151.242 5.243 9.209 1.00 0.24 N ATOM 1708 CA VAL B 20 151.404 5.425 7.737 1.00 0.22 C ATOM 1709 C VAL B 20 152.880 5.329 7.344 1.00 0.21 C ATOM 1710 O VAL B 20 153.245 4.641 6.410 1.00 0.22 O ATOM 1711 CB VAL B 20 150.837 6.791 7.319 1.00 0.26 C ATOM 1712 CG1 VAL B 20 151.461 7.907 8.164 1.00 0.32 C ATOM 1713 CG2 VAL B 20 151.147 7.043 5.840 1.00 0.28 C ATOM 0 H VAL B 20 150.814 6.032 9.694 1.00 0.24 H new ATOM 0 HA VAL B 20 150.857 4.634 7.223 1.00 0.22 H new ATOM 0 HB VAL B 20 149.758 6.787 7.476 1.00 0.26 H new ATOM 0 HG11 VAL B 20 151.050 8.869 7.857 1.00 0.32 H new ATOM 0 HG12 VAL B 20 151.236 7.736 9.217 1.00 0.32 H new ATOM 0 HG13 VAL B 20 152.541 7.911 8.020 1.00 0.32 H new ATOM 0 HG21 VAL B 20 150.745 8.012 5.544 1.00 0.28 H new ATOM 0 HG22 VAL B 20 152.226 7.037 5.688 1.00 0.28 H new ATOM 0 HG23 VAL B 20 150.691 6.260 5.234 1.00 0.28 H new ATOM 1723 N GLY B 21 153.728 6.034 8.044 1.00 0.22 N ATOM 1724 CA GLY B 21 155.183 6.013 7.717 1.00 0.21 C ATOM 1725 C GLY B 21 155.697 4.571 7.656 1.00 0.19 C ATOM 1726 O GLY B 21 156.853 4.333 7.368 1.00 0.19 O ATOM 0 H GLY B 21 153.473 6.627 8.834 1.00 0.22 H new ATOM 0 HA2 GLY B 21 155.354 6.507 6.761 1.00 0.21 H new ATOM 0 HA3 GLY B 21 155.739 6.572 8.469 1.00 0.21 H new ATOM 1730 N SER B 22 154.862 3.603 7.925 1.00 0.20 N ATOM 1731 CA SER B 22 155.319 2.186 7.882 1.00 0.20 C ATOM 1732 C SER B 22 155.280 1.666 6.445 1.00 0.19 C ATOM 1733 O SER B 22 155.997 0.755 6.081 1.00 0.20 O ATOM 1734 CB SER B 22 154.376 1.339 8.732 1.00 0.23 C ATOM 1735 OG SER B 22 153.236 0.988 7.958 1.00 1.24 O ATOM 0 H SER B 22 153.881 3.734 8.173 1.00 0.20 H new ATOM 0 HA SER B 22 156.339 2.126 8.262 1.00 0.20 H new ATOM 0 HB2 SER B 22 154.887 0.440 9.077 1.00 0.23 H new ATOM 0 HB3 SER B 22 154.071 1.893 9.620 1.00 0.23 H new ATOM 0 HG SER B 22 152.511 1.622 8.138 1.00 1.24 H new ATOM 1741 N LEU B 23 154.432 2.225 5.631 1.00 0.18 N ATOM 1742 CA LEU B 23 154.325 1.746 4.221 1.00 0.18 C ATOM 1743 C LEU B 23 155.661 1.924 3.498 1.00 0.18 C ATOM 1744 O LEU B 23 156.330 2.931 3.623 1.00 0.18 O ATOM 1745 CB LEU B 23 153.239 2.541 3.491 1.00 0.19 C ATOM 1746 CG LEU B 23 151.893 2.342 4.196 1.00 0.21 C ATOM 1747 CD1 LEU B 23 150.835 3.212 3.514 1.00 0.23 C ATOM 1748 CD2 LEU B 23 151.469 0.861 4.128 1.00 0.24 C ATOM 0 H LEU B 23 153.807 2.993 5.878 1.00 0.18 H new ATOM 0 HA LEU B 23 154.064 0.688 4.227 1.00 0.18 H new ATOM 0 HB2 LEU B 23 153.499 3.599 3.474 1.00 0.19 H new ATOM 0 HB3 LEU B 23 153.169 2.213 2.454 1.00 0.19 H new ATOM 0 HG LEU B 23 151.990 2.631 5.243 1.00 0.21 H new ATOM 0 HD11 LEU B 23 149.875 3.074 4.012 1.00 0.23 H new ATOM 0 HD12 LEU B 23 151.130 4.260 3.577 1.00 0.23 H new ATOM 0 HD13 LEU B 23 150.746 2.923 2.467 1.00 0.23 H new ATOM 0 HD21 LEU B 23 150.511 0.733 4.632 1.00 0.24 H new ATOM 0 HD22 LEU B 23 151.373 0.557 3.086 1.00 0.24 H new ATOM 0 HD23 LEU B 23 152.222 0.244 4.618 1.00 0.24 H new ATOM 1760 N ALA B 24 156.041 0.935 2.742 1.00 0.18 N ATOM 1761 CA ALA B 24 157.326 1.010 1.997 1.00 0.19 C ATOM 1762 C ALA B 24 157.258 2.113 0.936 1.00 0.19 C ATOM 1763 O ALA B 24 156.309 2.223 0.187 1.00 0.20 O ATOM 1764 CB ALA B 24 157.601 -0.332 1.320 1.00 0.21 C ATOM 0 H ALA B 24 155.513 0.072 2.607 1.00 0.18 H new ATOM 0 HA ALA B 24 158.129 1.240 2.697 1.00 0.19 H new ATOM 0 HB1 ALA B 24 158.543 -0.278 0.774 1.00 0.21 H new ATOM 0 HB2 ALA B 24 157.665 -1.115 2.076 1.00 0.21 H new ATOM 0 HB3 ALA B 24 156.792 -0.562 0.627 1.00 0.21 H new ATOM 1770 N GLY B 25 158.273 2.931 0.887 1.00 0.20 N ATOM 1771 CA GLY B 25 158.302 4.051 -0.105 1.00 0.21 C ATOM 1772 C GLY B 25 157.894 5.346 0.598 1.00 0.20 C ATOM 1773 O GLY B 25 158.158 6.431 0.123 1.00 0.22 O ATOM 0 H GLY B 25 159.091 2.874 1.494 1.00 0.20 H new ATOM 0 HA2 GLY B 25 159.300 4.152 -0.531 1.00 0.21 H new ATOM 0 HA3 GLY B 25 157.623 3.840 -0.931 1.00 0.21 H new ATOM 1777 N ILE B 26 157.261 5.239 1.737 1.00 0.20 N ATOM 1778 CA ILE B 26 156.848 6.459 2.495 1.00 0.21 C ATOM 1779 C ILE B 26 157.845 6.663 3.632 1.00 0.23 C ATOM 1780 O ILE B 26 157.930 5.855 4.536 1.00 0.25 O ATOM 1781 CB ILE B 26 155.447 6.256 3.081 1.00 0.22 C ATOM 1782 CG1 ILE B 26 154.464 5.850 1.973 1.00 0.22 C ATOM 1783 CG2 ILE B 26 154.975 7.557 3.733 1.00 0.24 C ATOM 1784 CD1 ILE B 26 154.540 6.836 0.802 1.00 0.24 C ATOM 0 H ILE B 26 157.011 4.354 2.178 1.00 0.20 H new ATOM 0 HA ILE B 26 156.832 7.326 1.835 1.00 0.21 H new ATOM 0 HB ILE B 26 155.485 5.464 3.828 1.00 0.22 H new ATOM 0 HG12 ILE B 26 154.695 4.843 1.624 1.00 0.22 H new ATOM 0 HG13 ILE B 26 153.449 5.825 2.370 1.00 0.22 H new ATOM 0 HG21 ILE B 26 153.978 7.414 4.150 1.00 0.24 H new ATOM 0 HG22 ILE B 26 155.665 7.836 4.529 1.00 0.24 H new ATOM 0 HG23 ILE B 26 154.945 8.349 2.985 1.00 0.24 H new ATOM 0 HD11 ILE B 26 153.837 6.534 0.026 1.00 0.24 H new ATOM 0 HD12 ILE B 26 154.286 7.837 1.152 1.00 0.24 H new ATOM 0 HD13 ILE B 26 155.551 6.840 0.395 1.00 0.24 H new ATOM 1796 N GLY B 27 158.605 7.727 3.615 1.00 0.24 N ATOM 1797 CA GLY B 27 159.586 7.958 4.713 1.00 0.27 C ATOM 1798 C GLY B 27 158.946 8.830 5.794 1.00 0.28 C ATOM 1799 O GLY B 27 157.814 9.255 5.672 1.00 0.27 O ATOM 0 H GLY B 27 158.588 8.444 2.889 1.00 0.24 H new ATOM 0 HA2 GLY B 27 159.902 7.006 5.139 1.00 0.27 H new ATOM 0 HA3 GLY B 27 160.479 8.444 4.321 1.00 0.27 H new ATOM 1803 N GLU B 28 159.656 9.090 6.853 1.00 0.30 N ATOM 1804 CA GLU B 28 159.076 9.925 7.941 1.00 0.32 C ATOM 1805 C GLU B 28 158.687 11.294 7.381 1.00 0.32 C ATOM 1806 O GLU B 28 157.660 11.844 7.726 1.00 0.35 O ATOM 1807 CB GLU B 28 160.101 10.102 9.063 1.00 0.36 C ATOM 1808 CG GLU B 28 160.298 8.771 9.791 1.00 0.39 C ATOM 1809 CD GLU B 28 159.031 8.419 10.575 1.00 1.27 C ATOM 1810 OE1 GLU B 28 158.288 9.329 10.903 1.00 2.00 O ATOM 1811 OE2 GLU B 28 158.825 7.244 10.831 1.00 1.64 O ATOM 0 H GLU B 28 160.609 8.763 7.013 1.00 0.30 H new ATOM 0 HA GLU B 28 158.191 9.430 8.341 1.00 0.32 H new ATOM 0 HB2 GLU B 28 161.050 10.447 8.652 1.00 0.36 H new ATOM 0 HB3 GLU B 28 159.761 10.865 9.764 1.00 0.36 H new ATOM 0 HG2 GLU B 28 160.524 7.983 9.073 1.00 0.39 H new ATOM 0 HG3 GLU B 28 161.149 8.838 10.468 1.00 0.39 H new ATOM 1818 N VAL B 29 159.494 11.851 6.521 1.00 0.31 N ATOM 1819 CA VAL B 29 159.152 13.183 5.950 1.00 0.33 C ATOM 1820 C VAL B 29 157.904 13.054 5.077 1.00 0.33 C ATOM 1821 O VAL B 29 156.969 13.821 5.201 1.00 0.35 O ATOM 1822 CB VAL B 29 160.329 13.706 5.117 1.00 0.34 C ATOM 1823 CG1 VAL B 29 159.896 14.939 4.317 1.00 0.38 C ATOM 1824 CG2 VAL B 29 161.476 14.095 6.054 1.00 0.35 C ATOM 0 H VAL B 29 160.369 11.445 6.191 1.00 0.31 H new ATOM 0 HA VAL B 29 158.953 13.888 6.757 1.00 0.33 H new ATOM 0 HB VAL B 29 160.656 12.926 4.429 1.00 0.34 H new ATOM 0 HG11 VAL B 29 160.737 15.304 3.728 1.00 0.38 H new ATOM 0 HG12 VAL B 29 159.076 14.671 3.651 1.00 0.38 H new ATOM 0 HG13 VAL B 29 159.566 15.720 5.002 1.00 0.38 H new ATOM 0 HG21 VAL B 29 162.315 14.467 5.467 1.00 0.35 H new ATOM 0 HG22 VAL B 29 161.139 14.873 6.739 1.00 0.35 H new ATOM 0 HG23 VAL B 29 161.792 13.222 6.625 1.00 0.35 H new ATOM 1834 N LEU B 30 157.878 12.093 4.196 1.00 0.32 N ATOM 1835 CA LEU B 30 156.686 11.923 3.319 1.00 0.33 C ATOM 1836 C LEU B 30 155.503 11.462 4.165 1.00 0.32 C ATOM 1837 O LEU B 30 154.385 11.897 3.977 1.00 0.33 O ATOM 1838 CB LEU B 30 156.978 10.875 2.237 1.00 0.33 C ATOM 1839 CG LEU B 30 158.122 11.351 1.331 1.00 0.35 C ATOM 1840 CD1 LEU B 30 158.422 10.262 0.296 1.00 0.36 C ATOM 1841 CD2 LEU B 30 157.726 12.655 0.608 1.00 0.40 C ATOM 0 H LEU B 30 158.629 11.419 4.045 1.00 0.32 H new ATOM 0 HA LEU B 30 156.451 12.874 2.841 1.00 0.33 H new ATOM 0 HB2 LEU B 30 157.244 9.926 2.702 1.00 0.33 H new ATOM 0 HB3 LEU B 30 156.083 10.698 1.641 1.00 0.33 H new ATOM 0 HG LEU B 30 159.006 11.544 1.939 1.00 0.35 H new ATOM 0 HD11 LEU B 30 159.234 10.591 -0.353 1.00 0.36 H new ATOM 0 HD12 LEU B 30 158.715 9.345 0.807 1.00 0.36 H new ATOM 0 HD13 LEU B 30 157.531 10.075 -0.304 1.00 0.36 H new ATOM 0 HD21 LEU B 30 158.547 12.981 -0.031 1.00 0.40 H new ATOM 0 HD22 LEU B 30 156.840 12.478 -0.002 1.00 0.40 H new ATOM 0 HD23 LEU B 30 157.511 13.429 1.345 1.00 0.40 H new ATOM 1853 N GLY B 31 155.740 10.588 5.101 1.00 0.33 N ATOM 1854 CA GLY B 31 154.626 10.110 5.957 1.00 0.34 C ATOM 1855 C GLY B 31 154.013 11.299 6.697 1.00 0.35 C ATOM 1856 O GLY B 31 152.816 11.392 6.854 1.00 0.36 O ATOM 0 H GLY B 31 156.654 10.186 5.308 1.00 0.33 H new ATOM 0 HA2 GLY B 31 153.869 9.617 5.347 1.00 0.34 H new ATOM 0 HA3 GLY B 31 154.991 9.372 6.671 1.00 0.34 H new ATOM 1860 N LYS B 32 154.832 12.207 7.158 1.00 0.35 N ATOM 1861 CA LYS B 32 154.305 13.387 7.904 1.00 0.37 C ATOM 1862 C LYS B 32 153.370 14.219 7.017 1.00 0.37 C ATOM 1863 O LYS B 32 152.365 14.722 7.476 1.00 0.38 O ATOM 1864 CB LYS B 32 155.495 14.248 8.357 1.00 0.40 C ATOM 1865 CG LYS B 32 155.020 15.428 9.244 1.00 1.18 C ATOM 1866 CD LYS B 32 154.879 16.715 8.416 1.00 1.36 C ATOM 1867 CE LYS B 32 154.630 17.898 9.356 1.00 2.07 C ATOM 1868 NZ LYS B 32 154.591 19.161 8.566 1.00 2.75 N ATOM 0 H LYS B 32 155.846 12.182 7.050 1.00 0.35 H new ATOM 0 HA LYS B 32 153.735 13.044 8.767 1.00 0.37 H new ATOM 0 HB2 LYS B 32 156.203 13.633 8.912 1.00 0.40 H new ATOM 0 HB3 LYS B 32 156.023 14.633 7.485 1.00 0.40 H new ATOM 0 HG2 LYS B 32 154.063 15.180 9.704 1.00 1.18 H new ATOM 0 HG3 LYS B 32 155.731 15.588 10.054 1.00 1.18 H new ATOM 0 HD2 LYS B 32 155.783 16.885 7.831 1.00 1.36 H new ATOM 0 HD3 LYS B 32 154.055 16.618 7.709 1.00 1.36 H new ATOM 0 HE2 LYS B 32 153.689 17.761 9.889 1.00 2.07 H new ATOM 0 HE3 LYS B 32 155.418 17.951 10.108 1.00 2.07 H new ATOM 0 HZ1 LYS B 32 155.110 19.905 9.075 1.00 2.75 H new ATOM 0 HZ2 LYS B 32 155.033 19.004 7.638 1.00 2.75 H new ATOM 0 HZ3 LYS B 32 153.603 19.457 8.433 1.00 2.75 H new ATOM 1882 N LYS B 33 153.691 14.396 5.765 1.00 0.35 N ATOM 1883 CA LYS B 33 152.806 15.230 4.897 1.00 0.36 C ATOM 1884 C LYS B 33 151.458 14.527 4.694 1.00 0.34 C ATOM 1885 O LYS B 33 150.416 15.153 4.723 1.00 0.36 O ATOM 1886 CB LYS B 33 153.479 15.441 3.539 1.00 0.36 C ATOM 1887 CG LYS B 33 154.690 16.358 3.715 1.00 0.39 C ATOM 1888 CD LYS B 33 155.369 16.574 2.361 1.00 0.64 C ATOM 1889 CE LYS B 33 156.579 17.492 2.542 1.00 0.66 C ATOM 1890 NZ LYS B 33 157.308 17.611 1.249 1.00 1.56 N ATOM 0 H LYS B 33 154.516 14.006 5.308 1.00 0.35 H new ATOM 0 HA LYS B 33 152.638 16.193 5.378 1.00 0.36 H new ATOM 0 HB2 LYS B 33 153.790 14.484 3.121 1.00 0.36 H new ATOM 0 HB3 LYS B 33 152.773 15.882 2.835 1.00 0.36 H new ATOM 0 HG2 LYS B 33 154.377 17.315 4.133 1.00 0.39 H new ATOM 0 HG3 LYS B 33 155.394 15.917 4.420 1.00 0.39 H new ATOM 0 HD2 LYS B 33 155.683 15.618 1.942 1.00 0.64 H new ATOM 0 HD3 LYS B 33 154.666 17.016 1.655 1.00 0.64 H new ATOM 0 HE2 LYS B 33 156.255 18.476 2.881 1.00 0.66 H new ATOM 0 HE3 LYS B 33 157.241 17.092 3.310 1.00 0.66 H new ATOM 0 HZ1 LYS B 33 158.254 17.189 1.344 1.00 1.56 H new ATOM 0 HZ2 LYS B 33 156.779 17.112 0.505 1.00 1.56 H new ATOM 0 HZ3 LYS B 33 157.401 18.615 0.994 1.00 1.56 H new ATOM 1904 N LEU B 34 151.459 13.235 4.515 1.00 0.32 N ATOM 1905 CA LEU B 34 150.166 12.511 4.340 1.00 0.31 C ATOM 1906 C LEU B 34 149.312 12.709 5.598 1.00 0.31 C ATOM 1907 O LEU B 34 148.106 12.845 5.533 1.00 0.32 O ATOM 1908 CB LEU B 34 150.429 11.018 4.109 1.00 0.28 C ATOM 1909 CG LEU B 34 151.066 10.796 2.726 1.00 0.29 C ATOM 1910 CD1 LEU B 34 151.665 9.388 2.668 1.00 0.29 C ATOM 1911 CD2 LEU B 34 150.006 10.938 1.612 1.00 0.33 C ATOM 0 H LEU B 34 152.294 12.650 4.482 1.00 0.32 H new ATOM 0 HA LEU B 34 149.636 12.907 3.473 1.00 0.31 H new ATOM 0 HB2 LEU B 34 151.089 10.633 4.887 1.00 0.28 H new ATOM 0 HB3 LEU B 34 149.494 10.462 4.180 1.00 0.28 H new ATOM 0 HG LEU B 34 151.843 11.545 2.573 1.00 0.29 H new ATOM 0 HD11 LEU B 34 152.118 9.225 1.690 1.00 0.29 H new ATOM 0 HD12 LEU B 34 152.426 9.284 3.442 1.00 0.29 H new ATOM 0 HD13 LEU B 34 150.879 8.651 2.831 1.00 0.29 H new ATOM 0 HD21 LEU B 34 150.475 10.778 0.641 1.00 0.33 H new ATOM 0 HD22 LEU B 34 149.220 10.198 1.762 1.00 0.33 H new ATOM 0 HD23 LEU B 34 149.574 11.938 1.646 1.00 0.33 H new ATOM 1923 N GLU B 35 149.938 12.708 6.741 1.00 0.31 N ATOM 1924 CA GLU B 35 149.159 12.878 8.005 1.00 0.34 C ATOM 1925 C GLU B 35 148.432 14.223 7.964 1.00 0.37 C ATOM 1926 O GLU B 35 147.288 14.336 8.356 1.00 0.39 O ATOM 1927 CB GLU B 35 150.106 12.865 9.208 1.00 0.35 C ATOM 1928 CG GLU B 35 150.706 11.471 9.391 1.00 0.92 C ATOM 1929 CD GLU B 35 151.675 11.488 10.573 1.00 1.02 C ATOM 1930 OE1 GLU B 35 151.820 12.538 11.178 1.00 1.68 O ATOM 1931 OE2 GLU B 35 152.257 10.452 10.853 1.00 1.35 O ATOM 0 H GLU B 35 150.945 12.598 6.858 1.00 0.31 H new ATOM 0 HA GLU B 35 148.443 12.062 8.099 1.00 0.34 H new ATOM 0 HB2 GLU B 35 150.902 13.595 9.062 1.00 0.35 H new ATOM 0 HB3 GLU B 35 149.566 13.158 10.109 1.00 0.35 H new ATOM 0 HG2 GLU B 35 149.915 10.742 9.566 1.00 0.92 H new ATOM 0 HG3 GLU B 35 151.227 11.165 8.484 1.00 0.92 H new ATOM 1938 N GLU B 36 149.084 15.239 7.474 1.00 0.39 N ATOM 1939 CA GLU B 36 148.430 16.574 7.384 1.00 0.44 C ATOM 1940 C GLU B 36 147.314 16.508 6.346 1.00 0.45 C ATOM 1941 O GLU B 36 146.434 17.346 6.306 1.00 0.49 O ATOM 1942 CB GLU B 36 149.453 17.634 6.971 1.00 0.46 C ATOM 1943 CG GLU B 36 150.437 17.875 8.117 1.00 1.11 C ATOM 1944 CD GLU B 36 151.457 18.934 7.697 1.00 1.38 C ATOM 1945 OE1 GLU B 36 151.476 19.279 6.526 1.00 1.85 O ATOM 1946 OE2 GLU B 36 152.194 19.390 8.554 1.00 1.99 O ATOM 0 H GLU B 36 150.044 15.203 7.131 1.00 0.39 H new ATOM 0 HA GLU B 36 148.019 16.844 8.357 1.00 0.44 H new ATOM 0 HB2 GLU B 36 149.990 17.307 6.080 1.00 0.46 H new ATOM 0 HB3 GLU B 36 148.945 18.563 6.714 1.00 0.46 H new ATOM 0 HG2 GLU B 36 149.901 18.203 9.008 1.00 1.11 H new ATOM 0 HG3 GLU B 36 150.946 16.946 8.375 1.00 1.11 H new ATOM 1953 N ARG B 37 147.354 15.523 5.491 1.00 0.42 N ATOM 1954 CA ARG B 37 146.305 15.411 4.436 1.00 0.45 C ATOM 1955 C ARG B 37 145.133 14.568 4.956 1.00 0.42 C ATOM 1956 O ARG B 37 144.164 14.356 4.256 1.00 0.43 O ATOM 1957 CB ARG B 37 146.901 14.754 3.183 1.00 0.45 C ATOM 1958 CG ARG B 37 147.898 15.706 2.499 1.00 0.52 C ATOM 1959 CD ARG B 37 147.162 16.739 1.632 1.00 0.86 C ATOM 1960 NE ARG B 37 146.295 16.038 0.643 1.00 1.42 N ATOM 1961 CZ ARG B 37 145.377 16.701 -0.008 1.00 1.87 C ATOM 1962 NH1 ARG B 37 145.206 17.974 0.218 1.00 2.15 N ATOM 1963 NH2 ARG B 37 144.629 16.089 -0.886 1.00 2.68 N ATOM 0 H ARG B 37 148.065 14.792 5.476 1.00 0.42 H new ATOM 0 HA ARG B 37 145.943 16.407 4.182 1.00 0.45 H new ATOM 0 HB2 ARG B 37 147.404 13.826 3.456 1.00 0.45 H new ATOM 0 HB3 ARG B 37 146.103 14.492 2.488 1.00 0.45 H new ATOM 0 HG2 ARG B 37 148.495 16.218 3.254 1.00 0.52 H new ATOM 0 HG3 ARG B 37 148.589 15.133 1.881 1.00 0.52 H new ATOM 0 HD2 ARG B 37 146.558 17.392 2.262 1.00 0.86 H new ATOM 0 HD3 ARG B 37 147.882 17.373 1.114 1.00 0.86 H new ATOM 0 HE ARG B 37 146.419 15.040 0.474 1.00 1.42 H new ATOM 0 HH11 ARG B 37 145.790 18.453 0.904 1.00 2.15 H new ATOM 0 HH12 ARG B 37 144.489 18.491 -0.291 1.00 2.15 H new ATOM 0 HH21 ARG B 37 144.762 15.093 -1.063 1.00 2.68 H new ATOM 0 HH22 ARG B 37 143.912 16.607 -1.394 1.00 2.68 H new ATOM 1977 N GLY B 38 145.188 14.126 6.195 1.00 0.41 N ATOM 1978 CA GLY B 38 144.042 13.344 6.771 1.00 0.39 C ATOM 1979 C GLY B 38 144.350 11.845 6.856 1.00 0.37 C ATOM 1980 O GLY B 38 143.494 11.065 7.224 1.00 0.49 O ATOM 0 H GLY B 38 145.973 14.272 6.829 1.00 0.41 H new ATOM 0 HA2 GLY B 38 143.810 13.723 7.766 1.00 0.39 H new ATOM 0 HA3 GLY B 38 143.155 13.497 6.157 1.00 0.39 H new ATOM 1984 N PHE B 39 145.548 11.422 6.542 1.00 0.31 N ATOM 1985 CA PHE B 39 145.880 9.961 6.631 1.00 0.28 C ATOM 1986 C PHE B 39 146.741 9.717 7.871 1.00 0.28 C ATOM 1987 O PHE B 39 147.945 9.571 7.783 1.00 0.28 O ATOM 1988 CB PHE B 39 146.674 9.546 5.396 1.00 0.27 C ATOM 1989 CG PHE B 39 145.877 9.843 4.147 1.00 0.28 C ATOM 1990 CD1 PHE B 39 145.807 11.150 3.661 1.00 0.31 C ATOM 1991 CD2 PHE B 39 145.218 8.811 3.474 1.00 0.27 C ATOM 1992 CE1 PHE B 39 145.075 11.428 2.501 1.00 0.33 C ATOM 1993 CE2 PHE B 39 144.485 9.085 2.313 1.00 0.30 C ATOM 1994 CZ PHE B 39 144.414 10.395 1.826 1.00 0.32 C ATOM 0 H PHE B 39 146.312 12.021 6.228 1.00 0.31 H new ATOM 0 HA PHE B 39 144.959 9.382 6.693 1.00 0.28 H new ATOM 0 HB2 PHE B 39 147.624 10.080 5.367 1.00 0.27 H new ATOM 0 HB3 PHE B 39 146.908 8.482 5.444 1.00 0.27 H new ATOM 0 HD1 PHE B 39 146.318 11.947 4.181 1.00 0.31 H new ATOM 0 HD2 PHE B 39 145.274 7.800 3.850 1.00 0.27 H new ATOM 0 HE1 PHE B 39 145.020 12.440 2.127 1.00 0.33 H new ATOM 0 HE2 PHE B 39 143.975 8.287 1.794 1.00 0.30 H new ATOM 0 HZ PHE B 39 143.850 10.609 0.930 1.00 0.32 H new ATOM 2004 N ASP B 40 146.143 9.702 9.031 1.00 0.30 N ATOM 2005 CA ASP B 40 146.947 9.506 10.270 1.00 0.31 C ATOM 2006 C ASP B 40 147.366 8.039 10.412 1.00 0.29 C ATOM 2007 O ASP B 40 148.157 7.701 11.270 1.00 0.30 O ATOM 2008 CB ASP B 40 146.117 9.915 11.489 1.00 0.35 C ATOM 2009 CG ASP B 40 144.863 9.046 11.571 1.00 0.37 C ATOM 2010 OD1 ASP B 40 144.387 8.626 10.530 1.00 0.36 O ATOM 2011 OD2 ASP B 40 144.398 8.815 12.675 1.00 0.41 O ATOM 0 H ASP B 40 145.140 9.816 9.174 1.00 0.30 H new ATOM 0 HA ASP B 40 147.842 10.125 10.206 1.00 0.31 H new ATOM 0 HB2 ASP B 40 146.708 9.804 12.398 1.00 0.35 H new ATOM 0 HB3 ASP B 40 145.839 10.966 11.416 1.00 0.35 H new ATOM 2016 N LYS B 41 146.846 7.162 9.588 1.00 0.28 N ATOM 2017 CA LYS B 41 147.222 5.712 9.686 1.00 0.28 C ATOM 2018 C LYS B 41 147.405 5.116 8.281 1.00 0.23 C ATOM 2019 O LYS B 41 146.954 5.664 7.295 1.00 0.23 O ATOM 2020 CB LYS B 41 146.149 4.962 10.479 1.00 0.33 C ATOM 2021 CG LYS B 41 146.233 5.403 11.948 1.00 0.47 C ATOM 2022 CD LYS B 41 145.177 4.678 12.780 1.00 0.74 C ATOM 2023 CE LYS B 41 145.283 5.125 14.240 1.00 0.71 C ATOM 2024 NZ LYS B 41 144.332 4.335 15.073 1.00 1.56 N ATOM 0 H LYS B 41 146.177 7.385 8.851 1.00 0.28 H new ATOM 0 HA LYS B 41 148.171 5.611 10.212 1.00 0.28 H new ATOM 0 HB2 LYS B 41 145.160 5.177 10.075 1.00 0.33 H new ATOM 0 HB3 LYS B 41 146.300 3.886 10.397 1.00 0.33 H new ATOM 0 HG2 LYS B 41 147.226 5.190 12.343 1.00 0.47 H new ATOM 0 HG3 LYS B 41 146.086 6.481 12.020 1.00 0.47 H new ATOM 0 HD2 LYS B 41 144.181 4.896 12.393 1.00 0.74 H new ATOM 0 HD3 LYS B 41 145.319 3.600 12.707 1.00 0.74 H new ATOM 0 HE2 LYS B 41 146.302 4.985 14.601 1.00 0.71 H new ATOM 0 HE3 LYS B 41 145.059 6.188 14.323 1.00 0.71 H new ATOM 0 HZ1 LYS B 41 144.585 4.434 16.077 1.00 1.56 H new ATOM 0 HZ2 LYS B 41 143.365 4.686 14.923 1.00 1.56 H new ATOM 0 HZ3 LYS B 41 144.382 3.332 14.801 1.00 1.56 H new ATOM 2038 N ALA B 42 148.107 4.016 8.194 1.00 0.21 N ATOM 2039 CA ALA B 42 148.388 3.377 6.868 1.00 0.20 C ATOM 2040 C ALA B 42 147.118 2.858 6.185 1.00 0.18 C ATOM 2041 O ALA B 42 146.969 2.978 4.985 1.00 0.18 O ATOM 2042 CB ALA B 42 149.355 2.207 7.075 1.00 0.21 C ATOM 0 H ALA B 42 148.504 3.525 8.995 1.00 0.21 H new ATOM 0 HA ALA B 42 148.822 4.139 6.221 1.00 0.20 H new ATOM 0 HB1 ALA B 42 149.566 1.735 6.115 1.00 0.21 H new ATOM 0 HB2 ALA B 42 150.284 2.575 7.510 1.00 0.21 H new ATOM 0 HB3 ALA B 42 148.904 1.477 7.747 1.00 0.21 H new ATOM 2048 N TYR B 43 146.224 2.244 6.904 1.00 0.18 N ATOM 2049 CA TYR B 43 145.013 1.687 6.235 1.00 0.18 C ATOM 2050 C TYR B 43 144.240 2.792 5.514 1.00 0.17 C ATOM 2051 O TYR B 43 143.439 2.524 4.641 1.00 0.17 O ATOM 2052 CB TYR B 43 144.115 0.956 7.244 1.00 0.20 C ATOM 2053 CG TYR B 43 143.345 1.930 8.103 1.00 0.21 C ATOM 2054 CD1 TYR B 43 142.234 2.602 7.577 1.00 0.21 C ATOM 2055 CD2 TYR B 43 143.724 2.145 9.432 1.00 0.24 C ATOM 2056 CE1 TYR B 43 141.508 3.487 8.377 1.00 0.25 C ATOM 2057 CE2 TYR B 43 142.997 3.031 10.232 1.00 0.28 C ATOM 2058 CZ TYR B 43 141.889 3.701 9.706 1.00 0.27 C ATOM 2059 OH TYR B 43 141.173 4.576 10.497 1.00 0.32 O ATOM 0 H TYR B 43 146.275 2.103 7.913 1.00 0.18 H new ATOM 0 HA TYR B 43 145.339 0.960 5.491 1.00 0.18 H new ATOM 0 HB2 TYR B 43 143.418 0.309 6.711 1.00 0.20 H new ATOM 0 HB3 TYR B 43 144.726 0.313 7.878 1.00 0.20 H new ATOM 0 HD1 TYR B 43 141.939 2.435 6.552 1.00 0.21 H new ATOM 0 HD2 TYR B 43 144.579 1.626 9.840 1.00 0.24 H new ATOM 0 HE1 TYR B 43 140.653 4.006 7.970 1.00 0.25 H new ATOM 0 HE2 TYR B 43 143.292 3.198 11.258 1.00 0.28 H new ATOM 0 HH TYR B 43 141.570 4.607 11.392 1.00 0.32 H new ATOM 2069 N VAL B 44 144.480 4.030 5.842 1.00 0.18 N ATOM 2070 CA VAL B 44 143.761 5.128 5.133 1.00 0.18 C ATOM 2071 C VAL B 44 144.453 5.365 3.787 1.00 0.17 C ATOM 2072 O VAL B 44 143.841 5.715 2.794 1.00 0.17 O ATOM 2073 CB VAL B 44 143.810 6.413 5.964 1.00 0.20 C ATOM 2074 CG1 VAL B 44 142.848 7.439 5.360 1.00 0.21 C ATOM 2075 CG2 VAL B 44 143.391 6.116 7.407 1.00 0.24 C ATOM 0 H VAL B 44 145.136 4.329 6.563 1.00 0.18 H new ATOM 0 HA VAL B 44 142.718 4.849 4.982 1.00 0.18 H new ATOM 0 HB VAL B 44 144.826 6.808 5.959 1.00 0.20 H new ATOM 0 HG11 VAL B 44 142.879 8.356 5.948 1.00 0.21 H new ATOM 0 HG12 VAL B 44 143.144 7.656 4.334 1.00 0.21 H new ATOM 0 HG13 VAL B 44 141.835 7.037 5.368 1.00 0.21 H new ATOM 0 HG21 VAL B 44 143.428 7.034 7.993 1.00 0.24 H new ATOM 0 HG22 VAL B 44 142.376 5.720 7.417 1.00 0.24 H new ATOM 0 HG23 VAL B 44 144.071 5.382 7.840 1.00 0.24 H new ATOM 2085 N VAL B 45 145.744 5.164 3.770 1.00 0.17 N ATOM 2086 CA VAL B 45 146.529 5.362 2.517 1.00 0.17 C ATOM 2087 C VAL B 45 146.272 4.167 1.598 1.00 0.15 C ATOM 2088 O VAL B 45 146.117 4.314 0.402 1.00 0.15 O ATOM 2089 CB VAL B 45 148.023 5.458 2.845 1.00 0.18 C ATOM 2090 CG1 VAL B 45 148.835 5.468 1.545 1.00 0.22 C ATOM 2091 CG2 VAL B 45 148.300 6.744 3.636 1.00 0.20 C ATOM 0 H VAL B 45 146.293 4.869 4.578 1.00 0.17 H new ATOM 0 HA VAL B 45 146.225 6.286 2.025 1.00 0.17 H new ATOM 0 HB VAL B 45 148.314 4.597 3.447 1.00 0.18 H new ATOM 0 HG11 VAL B 45 149.897 5.536 1.780 1.00 0.22 H new ATOM 0 HG12 VAL B 45 148.644 4.549 0.990 1.00 0.22 H new ATOM 0 HG13 VAL B 45 148.542 6.325 0.939 1.00 0.22 H new ATOM 0 HG21 VAL B 45 149.363 6.807 3.867 1.00 0.20 H new ATOM 0 HG22 VAL B 45 148.006 7.608 3.040 1.00 0.20 H new ATOM 0 HG23 VAL B 45 147.728 6.731 4.564 1.00 0.20 H new ATOM 2101 N LEU B 46 146.190 2.989 2.152 1.00 0.17 N ATOM 2102 CA LEU B 46 145.903 1.794 1.314 1.00 0.17 C ATOM 2103 C LEU B 46 144.547 2.009 0.638 1.00 0.17 C ATOM 2104 O LEU B 46 144.328 1.624 -0.492 1.00 0.17 O ATOM 2105 CB LEU B 46 145.859 0.541 2.208 1.00 0.22 C ATOM 2106 CG LEU B 46 145.295 -0.663 1.437 1.00 0.25 C ATOM 2107 CD1 LEU B 46 146.104 -0.907 0.160 1.00 0.40 C ATOM 2108 CD2 LEU B 46 145.375 -1.910 2.322 1.00 0.35 C ATOM 0 H LEU B 46 146.309 2.804 3.148 1.00 0.17 H new ATOM 0 HA LEU B 46 146.678 1.654 0.560 1.00 0.17 H new ATOM 0 HB2 LEU B 46 146.862 0.310 2.567 1.00 0.22 H new ATOM 0 HB3 LEU B 46 145.243 0.737 3.086 1.00 0.22 H new ATOM 0 HG LEU B 46 144.259 -0.455 1.168 1.00 0.25 H new ATOM 0 HD11 LEU B 46 145.691 -1.763 -0.374 1.00 0.40 H new ATOM 0 HD12 LEU B 46 146.054 -0.024 -0.477 1.00 0.40 H new ATOM 0 HD13 LEU B 46 147.143 -1.108 0.420 1.00 0.40 H new ATOM 0 HD21 LEU B 46 144.976 -2.767 1.780 1.00 0.35 H new ATOM 0 HD22 LEU B 46 146.415 -2.101 2.588 1.00 0.35 H new ATOM 0 HD23 LEU B 46 144.791 -1.751 3.229 1.00 0.35 H new ATOM 2120 N GLY B 47 143.635 2.629 1.337 1.00 0.17 N ATOM 2121 CA GLY B 47 142.285 2.884 0.761 1.00 0.18 C ATOM 2122 C GLY B 47 142.407 3.740 -0.501 1.00 0.17 C ATOM 2123 O GLY B 47 141.723 3.516 -1.480 1.00 0.18 O ATOM 0 H GLY B 47 143.769 2.972 2.288 1.00 0.17 H new ATOM 0 HA2 GLY B 47 141.798 1.938 0.523 1.00 0.18 H new ATOM 0 HA3 GLY B 47 141.657 3.390 1.494 1.00 0.18 H new ATOM 2127 N GLN B 48 143.266 4.724 -0.489 1.00 0.17 N ATOM 2128 CA GLN B 48 143.415 5.590 -1.695 1.00 0.18 C ATOM 2129 C GLN B 48 143.842 4.726 -2.884 1.00 0.17 C ATOM 2130 O GLN B 48 143.376 4.899 -3.989 1.00 0.18 O ATOM 2131 CB GLN B 48 144.482 6.655 -1.436 1.00 0.18 C ATOM 2132 CG GLN B 48 144.422 7.717 -2.537 1.00 0.22 C ATOM 2133 CD GLN B 48 143.170 8.576 -2.350 1.00 0.28 C ATOM 2134 OE1 GLN B 48 142.787 8.875 -1.235 1.00 0.97 O ATOM 2135 NE2 GLN B 48 142.515 8.998 -3.397 1.00 1.09 N ATOM 0 H GLN B 48 143.868 4.965 0.299 1.00 0.17 H new ATOM 0 HA GLN B 48 142.464 6.077 -1.913 1.00 0.18 H new ATOM 0 HB2 GLN B 48 144.321 7.117 -0.462 1.00 0.18 H new ATOM 0 HB3 GLN B 48 145.470 6.196 -1.412 1.00 0.18 H new ATOM 0 HG2 GLN B 48 145.314 8.343 -2.502 1.00 0.22 H new ATOM 0 HG3 GLN B 48 144.405 7.240 -3.517 1.00 0.22 H new ATOM 0 HE21 GLN B 48 142.834 8.749 -4.333 1.00 1.09 H new ATOM 0 HE22 GLN B 48 141.684 9.577 -3.279 1.00 1.09 H new ATOM 2144 N PHE B 49 144.716 3.786 -2.658 1.00 0.17 N ATOM 2145 CA PHE B 49 145.174 2.894 -3.764 1.00 0.17 C ATOM 2146 C PHE B 49 143.954 2.156 -4.323 1.00 0.18 C ATOM 2147 O PHE B 49 143.811 1.968 -5.515 1.00 0.19 O ATOM 2148 CB PHE B 49 146.188 1.895 -3.193 1.00 0.18 C ATOM 2149 CG PHE B 49 146.687 0.962 -4.274 1.00 0.20 C ATOM 2150 CD1 PHE B 49 147.490 1.462 -5.306 1.00 0.24 C ATOM 2151 CD2 PHE B 49 146.370 -0.403 -4.233 1.00 0.27 C ATOM 2152 CE1 PHE B 49 147.973 0.601 -6.299 1.00 0.27 C ATOM 2153 CE2 PHE B 49 146.851 -1.263 -5.227 1.00 0.31 C ATOM 2154 CZ PHE B 49 147.652 -0.762 -6.260 1.00 0.27 C ATOM 0 H PHE B 49 145.137 3.594 -1.749 1.00 0.17 H new ATOM 0 HA PHE B 49 145.646 3.466 -4.563 1.00 0.17 H new ATOM 0 HB2 PHE B 49 147.028 2.433 -2.754 1.00 0.18 H new ATOM 0 HB3 PHE B 49 145.726 1.318 -2.392 1.00 0.18 H new ATOM 0 HD1 PHE B 49 147.737 2.513 -5.336 1.00 0.24 H new ATOM 0 HD2 PHE B 49 145.755 -0.791 -3.435 1.00 0.27 H new ATOM 0 HE1 PHE B 49 148.593 0.988 -7.095 1.00 0.27 H new ATOM 0 HE2 PHE B 49 146.604 -2.314 -5.197 1.00 0.31 H new ATOM 0 HZ PHE B 49 148.022 -1.426 -7.027 1.00 0.27 H new ATOM 2164 N LEU B 50 143.085 1.744 -3.459 1.00 0.18 N ATOM 2165 CA LEU B 50 141.866 1.017 -3.915 1.00 0.20 C ATOM 2166 C LEU B 50 140.962 1.988 -4.687 1.00 0.21 C ATOM 2167 O LEU B 50 140.354 1.632 -5.677 1.00 0.23 O ATOM 2168 CB LEU B 50 141.121 0.478 -2.691 1.00 0.22 C ATOM 2169 CG LEU B 50 142.026 -0.483 -1.907 1.00 0.23 C ATOM 2170 CD1 LEU B 50 141.268 -0.996 -0.680 1.00 0.27 C ATOM 2171 CD2 LEU B 50 142.442 -1.670 -2.794 1.00 0.27 C ATOM 0 H LEU B 50 143.160 1.876 -2.450 1.00 0.18 H new ATOM 0 HA LEU B 50 142.144 0.188 -4.565 1.00 0.20 H new ATOM 0 HB2 LEU B 50 140.812 1.304 -2.050 1.00 0.22 H new ATOM 0 HB3 LEU B 50 140.214 -0.038 -3.005 1.00 0.22 H new ATOM 0 HG LEU B 50 142.925 0.047 -1.592 1.00 0.23 H new ATOM 0 HD11 LEU B 50 141.905 -1.679 -0.118 1.00 0.27 H new ATOM 0 HD12 LEU B 50 140.991 -0.154 -0.046 1.00 0.27 H new ATOM 0 HD13 LEU B 50 140.368 -1.520 -1.001 1.00 0.27 H new ATOM 0 HD21 LEU B 50 143.083 -2.343 -2.224 1.00 0.27 H new ATOM 0 HD22 LEU B 50 141.553 -2.208 -3.122 1.00 0.27 H new ATOM 0 HD23 LEU B 50 142.985 -1.301 -3.664 1.00 0.27 H new ATOM 2183 N VAL B 51 140.856 3.200 -4.227 1.00 0.21 N ATOM 2184 CA VAL B 51 139.978 4.201 -4.906 1.00 0.23 C ATOM 2185 C VAL B 51 140.503 4.529 -6.311 1.00 0.23 C ATOM 2186 O VAL B 51 139.765 4.969 -7.170 1.00 0.25 O ATOM 2187 CB VAL B 51 139.930 5.477 -4.061 1.00 0.25 C ATOM 2188 CG1 VAL B 51 139.137 6.557 -4.801 1.00 0.28 C ATOM 2189 CG2 VAL B 51 139.248 5.171 -2.725 1.00 0.27 C ATOM 0 H VAL B 51 141.343 3.548 -3.401 1.00 0.21 H new ATOM 0 HA VAL B 51 138.977 3.781 -5.007 1.00 0.23 H new ATOM 0 HB VAL B 51 140.945 5.834 -3.884 1.00 0.25 H new ATOM 0 HG11 VAL B 51 139.105 7.463 -4.196 1.00 0.28 H new ATOM 0 HG12 VAL B 51 139.619 6.773 -5.754 1.00 0.28 H new ATOM 0 HG13 VAL B 51 138.121 6.204 -4.980 1.00 0.28 H new ATOM 0 HG21 VAL B 51 139.211 6.077 -2.119 1.00 0.27 H new ATOM 0 HG22 VAL B 51 138.234 4.815 -2.907 1.00 0.27 H new ATOM 0 HG23 VAL B 51 139.812 4.403 -2.196 1.00 0.27 H new ATOM 2199 N LEU B 52 141.774 4.338 -6.550 1.00 0.22 N ATOM 2200 CA LEU B 52 142.342 4.661 -7.901 1.00 0.23 C ATOM 2201 C LEU B 52 142.334 3.412 -8.790 1.00 0.23 C ATOM 2202 O LEU B 52 143.022 3.355 -9.790 1.00 0.24 O ATOM 2203 CB LEU B 52 143.775 5.168 -7.731 1.00 0.24 C ATOM 2204 CG LEU B 52 143.773 6.425 -6.846 1.00 0.25 C ATOM 2205 CD1 LEU B 52 145.217 6.877 -6.599 1.00 0.30 C ATOM 2206 CD2 LEU B 52 142.983 7.557 -7.528 1.00 0.27 C ATOM 0 H LEU B 52 142.445 3.974 -5.873 1.00 0.22 H new ATOM 0 HA LEU B 52 141.733 5.430 -8.376 1.00 0.23 H new ATOM 0 HB2 LEU B 52 144.395 4.393 -7.279 1.00 0.24 H new ATOM 0 HB3 LEU B 52 144.209 5.396 -8.704 1.00 0.24 H new ATOM 0 HG LEU B 52 143.296 6.189 -5.895 1.00 0.25 H new ATOM 0 HD11 LEU B 52 145.217 7.768 -5.972 1.00 0.30 H new ATOM 0 HD12 LEU B 52 145.767 6.080 -6.098 1.00 0.30 H new ATOM 0 HD13 LEU B 52 145.695 7.104 -7.552 1.00 0.30 H new ATOM 0 HD21 LEU B 52 142.990 8.441 -6.890 1.00 0.27 H new ATOM 0 HD22 LEU B 52 143.445 7.797 -8.486 1.00 0.27 H new ATOM 0 HD23 LEU B 52 141.954 7.236 -7.692 1.00 0.27 H new ATOM 2218 N LYS B 53 141.569 2.412 -8.444 1.00 0.23 N ATOM 2219 CA LYS B 53 141.526 1.174 -9.281 1.00 0.24 C ATOM 2220 C LYS B 53 142.947 0.652 -9.509 1.00 0.24 C ATOM 2221 O LYS B 53 143.230 0.032 -10.514 1.00 0.30 O ATOM 2222 CB LYS B 53 140.880 1.485 -10.640 1.00 0.29 C ATOM 2223 CG LYS B 53 139.359 1.611 -10.487 1.00 0.39 C ATOM 2224 CD LYS B 53 139.013 2.882 -9.703 1.00 0.48 C ATOM 2225 CE LYS B 53 137.542 3.242 -9.933 1.00 0.92 C ATOM 2226 NZ LYS B 53 137.180 4.417 -9.091 1.00 1.71 N ATOM 0 H LYS B 53 140.971 2.397 -7.618 1.00 0.23 H new ATOM 0 HA LYS B 53 140.937 0.418 -8.762 1.00 0.24 H new ATOM 0 HB2 LYS B 53 141.290 2.411 -11.042 1.00 0.29 H new ATOM 0 HB3 LYS B 53 141.117 0.695 -11.353 1.00 0.29 H new ATOM 0 HG2 LYS B 53 138.888 1.641 -11.469 1.00 0.39 H new ATOM 0 HG3 LYS B 53 138.964 0.736 -9.970 1.00 0.39 H new ATOM 0 HD2 LYS B 53 139.198 2.728 -8.640 1.00 0.48 H new ATOM 0 HD3 LYS B 53 139.653 3.704 -10.022 1.00 0.48 H new ATOM 0 HE2 LYS B 53 137.373 3.469 -10.985 1.00 0.92 H new ATOM 0 HE3 LYS B 53 136.906 2.393 -9.684 1.00 0.92 H new ATOM 0 HZ1 LYS B 53 136.145 4.507 -9.047 1.00 1.71 H new ATOM 0 HZ2 LYS B 53 137.558 4.286 -8.131 1.00 1.71 H new ATOM 0 HZ3 LYS B 53 137.585 5.280 -9.507 1.00 1.71 H new ATOM 2240 N LYS B 54 143.842 0.898 -8.583 1.00 0.23 N ATOM 2241 CA LYS B 54 145.252 0.422 -8.723 1.00 0.26 C ATOM 2242 C LYS B 54 145.890 1.020 -9.981 1.00 0.28 C ATOM 2243 O LYS B 54 146.886 0.519 -10.466 1.00 0.34 O ATOM 2244 CB LYS B 54 145.275 -1.108 -8.828 1.00 0.36 C ATOM 2245 CG LYS B 54 144.441 -1.715 -7.693 1.00 0.67 C ATOM 2246 CD LYS B 54 144.638 -3.240 -7.641 1.00 0.83 C ATOM 2247 CE LYS B 54 143.752 -3.922 -8.689 1.00 1.41 C ATOM 2248 NZ LYS B 54 142.321 -3.615 -8.404 1.00 2.25 N ATOM 0 H LYS B 54 143.651 1.416 -7.725 1.00 0.23 H new ATOM 0 HA LYS B 54 145.816 0.740 -7.846 1.00 0.26 H new ATOM 0 HB2 LYS B 54 144.877 -1.422 -9.793 1.00 0.36 H new ATOM 0 HB3 LYS B 54 146.301 -1.471 -8.773 1.00 0.36 H new ATOM 0 HG2 LYS B 54 144.733 -1.271 -6.741 1.00 0.67 H new ATOM 0 HG3 LYS B 54 143.387 -1.483 -7.843 1.00 0.67 H new ATOM 0 HD2 LYS B 54 145.684 -3.486 -7.823 1.00 0.83 H new ATOM 0 HD3 LYS B 54 144.391 -3.613 -6.647 1.00 0.83 H new ATOM 0 HE2 LYS B 54 144.018 -3.575 -9.687 1.00 1.41 H new ATOM 0 HE3 LYS B 54 143.914 -5.000 -8.673 1.00 1.41 H new ATOM 0 HZ1 LYS B 54 141.738 -4.450 -8.616 1.00 2.25 H new ATOM 0 HZ2 LYS B 54 142.213 -3.363 -7.401 1.00 2.25 H new ATOM 0 HZ3 LYS B 54 142.012 -2.817 -8.996 1.00 2.25 H new ATOM 2262 N ASP B 55 145.362 2.090 -10.507 1.00 0.30 N ATOM 2263 CA ASP B 55 146.002 2.690 -11.714 1.00 0.39 C ATOM 2264 C ASP B 55 147.369 3.246 -11.291 1.00 0.38 C ATOM 2265 O ASP B 55 147.464 4.105 -10.439 1.00 0.37 O ATOM 2266 CB ASP B 55 145.114 3.809 -12.258 1.00 0.47 C ATOM 2267 CG ASP B 55 143.865 3.202 -12.900 1.00 1.18 C ATOM 2268 OD1 ASP B 55 144.007 2.241 -13.637 1.00 1.80 O ATOM 2269 OD2 ASP B 55 142.784 3.707 -12.639 1.00 1.54 O ATOM 0 H ASP B 55 144.530 2.569 -10.162 1.00 0.30 H new ATOM 0 HA ASP B 55 146.131 1.945 -12.499 1.00 0.39 H new ATOM 0 HB2 ASP B 55 144.829 4.486 -11.453 1.00 0.47 H new ATOM 0 HB3 ASP B 55 145.663 4.399 -12.992 1.00 0.47 H new ATOM 2274 N GLU B 56 148.426 2.720 -11.850 1.00 0.39 N ATOM 2275 CA GLU B 56 149.803 3.160 -11.460 1.00 0.38 C ATOM 2276 C GLU B 56 150.083 4.632 -11.798 1.00 0.38 C ATOM 2277 O GLU B 56 150.704 5.338 -11.031 1.00 0.38 O ATOM 2278 CB GLU B 56 150.819 2.275 -12.188 1.00 0.40 C ATOM 2279 CG GLU B 56 152.229 2.578 -11.678 1.00 0.41 C ATOM 2280 CD GLU B 56 153.237 1.692 -12.409 1.00 0.63 C ATOM 2281 OE1 GLU B 56 152.804 0.800 -13.121 1.00 0.88 O ATOM 2282 OE2 GLU B 56 154.424 1.918 -12.245 1.00 0.85 O ATOM 0 H GLU B 56 148.397 1.996 -12.568 1.00 0.39 H new ATOM 0 HA GLU B 56 149.887 3.062 -10.378 1.00 0.38 H new ATOM 0 HB2 GLU B 56 150.582 1.224 -12.025 1.00 0.40 H new ATOM 0 HB3 GLU B 56 150.765 2.452 -13.262 1.00 0.40 H new ATOM 0 HG2 GLU B 56 152.468 3.629 -11.840 1.00 0.41 H new ATOM 0 HG3 GLU B 56 152.285 2.401 -10.604 1.00 0.41 H new ATOM 2289 N ASP B 57 149.656 5.105 -12.936 1.00 0.40 N ATOM 2290 CA ASP B 57 149.933 6.530 -13.300 1.00 0.42 C ATOM 2291 C ASP B 57 149.120 7.466 -12.408 1.00 0.41 C ATOM 2292 O ASP B 57 149.600 8.493 -11.970 1.00 0.41 O ATOM 2293 CB ASP B 57 149.565 6.766 -14.766 1.00 0.45 C ATOM 2294 CG ASP B 57 150.566 6.043 -15.671 1.00 0.47 C ATOM 2295 OD1 ASP B 57 150.323 4.890 -15.988 1.00 0.65 O ATOM 2296 OD2 ASP B 57 151.554 6.658 -16.039 1.00 0.74 O ATOM 0 H ASP B 57 149.130 4.573 -13.629 1.00 0.40 H new ATOM 0 HA ASP B 57 150.994 6.735 -13.155 1.00 0.42 H new ATOM 0 HB2 ASP B 57 148.556 6.403 -14.961 1.00 0.45 H new ATOM 0 HB3 ASP B 57 149.568 7.834 -14.984 1.00 0.45 H new ATOM 2301 N LEU B 58 147.906 7.123 -12.130 1.00 0.40 N ATOM 2302 CA LEU B 58 147.087 8.009 -11.256 1.00 0.40 C ATOM 2303 C LEU B 58 147.636 7.945 -9.831 1.00 0.38 C ATOM 2304 O LEU B 58 147.726 8.943 -9.144 1.00 0.38 O ATOM 2305 CB LEU B 58 145.624 7.562 -11.249 1.00 0.41 C ATOM 2306 CG LEU B 58 145.038 7.611 -12.667 1.00 0.47 C ATOM 2307 CD1 LEU B 58 143.567 7.190 -12.611 1.00 0.45 C ATOM 2308 CD2 LEU B 58 145.147 9.035 -13.244 1.00 0.55 C ATOM 0 H LEU B 58 147.441 6.278 -12.462 1.00 0.40 H new ATOM 0 HA LEU B 58 147.139 9.028 -11.640 1.00 0.40 H new ATOM 0 HB2 LEU B 58 145.549 6.549 -10.854 1.00 0.41 H new ATOM 0 HB3 LEU B 58 145.044 8.206 -10.588 1.00 0.41 H new ATOM 0 HG LEU B 58 145.597 6.932 -13.311 1.00 0.47 H new ATOM 0 HD11 LEU B 58 143.141 7.221 -13.614 1.00 0.45 H new ATOM 0 HD12 LEU B 58 143.493 6.176 -12.217 1.00 0.45 H new ATOM 0 HD13 LEU B 58 143.018 7.872 -11.962 1.00 0.45 H new ATOM 0 HD21 LEU B 58 144.727 9.053 -14.250 1.00 0.55 H new ATOM 0 HD22 LEU B 58 144.596 9.728 -12.608 1.00 0.55 H new ATOM 0 HD23 LEU B 58 146.195 9.333 -13.283 1.00 0.55 H new ATOM 2320 N PHE B 59 148.022 6.780 -9.385 1.00 0.37 N ATOM 2321 CA PHE B 59 148.585 6.664 -8.011 1.00 0.35 C ATOM 2322 C PHE B 59 149.868 7.489 -7.909 1.00 0.36 C ATOM 2323 O PHE B 59 150.047 8.271 -6.997 1.00 0.35 O ATOM 2324 CB PHE B 59 148.888 5.195 -7.704 1.00 0.35 C ATOM 2325 CG PHE B 59 149.524 5.086 -6.339 1.00 0.34 C ATOM 2326 CD1 PHE B 59 148.722 4.916 -5.203 1.00 0.35 C ATOM 2327 CD2 PHE B 59 150.917 5.146 -6.209 1.00 0.37 C ATOM 2328 CE1 PHE B 59 149.314 4.808 -3.939 1.00 0.37 C ATOM 2329 CE2 PHE B 59 151.507 5.038 -4.945 1.00 0.38 C ATOM 2330 CZ PHE B 59 150.707 4.868 -3.809 1.00 0.37 C ATOM 0 H PHE B 59 147.972 5.907 -9.911 1.00 0.37 H new ATOM 0 HA PHE B 59 147.860 7.040 -7.290 1.00 0.35 H new ATOM 0 HB2 PHE B 59 147.970 4.609 -7.737 1.00 0.35 H new ATOM 0 HB3 PHE B 59 149.555 4.784 -8.462 1.00 0.35 H new ATOM 0 HD1 PHE B 59 147.648 4.868 -5.302 1.00 0.35 H new ATOM 0 HD2 PHE B 59 151.536 5.276 -7.085 1.00 0.37 H new ATOM 0 HE1 PHE B 59 148.696 4.678 -3.063 1.00 0.37 H new ATOM 0 HE2 PHE B 59 152.581 5.086 -4.846 1.00 0.38 H new ATOM 0 HZ PHE B 59 151.163 4.783 -2.834 1.00 0.37 H new ATOM 2340 N ARG B 60 150.770 7.309 -8.840 1.00 0.38 N ATOM 2341 CA ARG B 60 152.050 8.068 -8.796 1.00 0.39 C ATOM 2342 C ARG B 60 151.787 9.569 -8.862 1.00 0.40 C ATOM 2343 O ARG B 60 152.348 10.335 -8.104 1.00 0.39 O ATOM 2344 CB ARG B 60 152.926 7.652 -9.980 1.00 0.43 C ATOM 2345 CG ARG B 60 153.421 6.221 -9.766 1.00 0.44 C ATOM 2346 CD ARG B 60 154.259 5.781 -10.965 1.00 0.51 C ATOM 2347 NE ARG B 60 153.399 5.789 -12.182 1.00 1.31 N ATOM 2348 CZ ARG B 60 153.933 5.654 -13.364 1.00 1.54 C ATOM 2349 NH1 ARG B 60 155.223 5.509 -13.485 1.00 1.15 N ATOM 2350 NH2 ARG B 60 153.173 5.655 -14.425 1.00 2.64 N ATOM 0 H ARG B 60 150.673 6.668 -9.628 1.00 0.38 H new ATOM 0 HA ARG B 60 152.559 7.844 -7.859 1.00 0.39 H new ATOM 0 HB2 ARG B 60 152.358 7.717 -10.908 1.00 0.43 H new ATOM 0 HB3 ARG B 60 153.773 8.331 -10.076 1.00 0.43 H new ATOM 0 HG2 ARG B 60 154.016 6.164 -8.854 1.00 0.44 H new ATOM 0 HG3 ARG B 60 152.573 5.548 -9.636 1.00 0.44 H new ATOM 0 HD2 ARG B 60 155.108 6.452 -11.098 1.00 0.51 H new ATOM 0 HD3 ARG B 60 154.664 4.783 -10.796 1.00 0.51 H new ATOM 0 HE ARG B 60 152.389 5.900 -12.090 1.00 1.31 H new ATOM 0 HH11 ARG B 60 155.815 5.501 -12.655 1.00 1.15 H new ATOM 0 HH12 ARG B 60 155.640 5.403 -14.410 1.00 1.15 H new ATOM 0 HH21 ARG B 60 152.163 5.761 -14.329 1.00 2.64 H new ATOM 0 HH22 ARG B 60 153.589 5.550 -15.350 1.00 2.64 H new ATOM 2364 N GLU B 61 150.934 10.005 -9.746 1.00 0.42 N ATOM 2365 CA GLU B 61 150.647 11.458 -9.832 1.00 0.44 C ATOM 2366 C GLU B 61 149.977 11.905 -8.531 1.00 0.42 C ATOM 2367 O GLU B 61 150.253 12.968 -8.015 1.00 0.43 O ATOM 2368 CB GLU B 61 149.706 11.724 -11.010 1.00 0.48 C ATOM 2369 CG GLU B 61 150.448 11.466 -12.324 1.00 1.30 C ATOM 2370 CD GLU B 61 151.520 12.538 -12.531 1.00 1.77 C ATOM 2371 OE1 GLU B 61 151.319 13.646 -12.065 1.00 2.33 O ATOM 2372 OE2 GLU B 61 152.524 12.229 -13.152 1.00 2.38 O ATOM 0 H GLU B 61 150.427 9.419 -10.409 1.00 0.42 H new ATOM 0 HA GLU B 61 151.574 12.012 -9.982 1.00 0.44 H new ATOM 0 HB2 GLU B 61 148.830 11.079 -10.942 1.00 0.48 H new ATOM 0 HB3 GLU B 61 149.348 12.753 -10.978 1.00 0.48 H new ATOM 0 HG2 GLU B 61 150.907 10.478 -12.305 1.00 1.30 H new ATOM 0 HG3 GLU B 61 149.745 11.475 -13.157 1.00 1.30 H new ATOM 2379 N TRP B 62 149.099 11.103 -7.998 1.00 0.40 N ATOM 2380 CA TRP B 62 148.411 11.487 -6.730 1.00 0.39 C ATOM 2381 C TRP B 62 149.400 11.563 -5.557 1.00 0.36 C ATOM 2382 O TRP B 62 149.405 12.517 -4.806 1.00 0.36 O ATOM 2383 CB TRP B 62 147.318 10.454 -6.402 1.00 0.38 C ATOM 2384 CG TRP B 62 146.817 10.688 -5.009 1.00 0.36 C ATOM 2385 CD1 TRP B 62 145.831 11.545 -4.661 1.00 0.39 C ATOM 2386 CD2 TRP B 62 147.294 10.090 -3.770 1.00 0.34 C ATOM 2387 NE1 TRP B 62 145.672 11.509 -3.285 1.00 0.37 N ATOM 2388 CE2 TRP B 62 146.553 10.624 -2.693 1.00 0.34 C ATOM 2389 CE3 TRP B 62 148.291 9.140 -3.485 1.00 0.32 C ATOM 2390 CZ2 TRP B 62 146.795 10.229 -1.373 1.00 0.34 C ATOM 2391 CZ3 TRP B 62 148.536 8.740 -2.162 1.00 0.31 C ATOM 2392 CH2 TRP B 62 147.789 9.284 -1.109 1.00 0.32 C ATOM 0 H TRP B 62 148.827 10.199 -8.383 1.00 0.40 H new ATOM 0 HA TRP B 62 147.968 12.473 -6.873 1.00 0.39 H new ATOM 0 HB2 TRP B 62 146.497 10.537 -7.115 1.00 0.38 H new ATOM 0 HB3 TRP B 62 147.717 9.444 -6.492 1.00 0.38 H new ATOM 0 HD1 TRP B 62 145.261 12.157 -5.344 1.00 0.39 H new ATOM 0 HE1 TRP B 62 144.989 12.067 -2.772 1.00 0.37 H new ATOM 0 HE3 TRP B 62 148.872 8.715 -4.290 1.00 0.32 H new ATOM 0 HZ2 TRP B 62 146.218 10.652 -0.564 1.00 0.34 H new ATOM 0 HZ3 TRP B 62 149.304 8.009 -1.955 1.00 0.31 H new ATOM 0 HH2 TRP B 62 147.982 8.973 -0.093 1.00 0.32 H new ATOM 2403 N LEU B 63 150.217 10.565 -5.379 1.00 0.34 N ATOM 2404 CA LEU B 63 151.176 10.589 -4.235 1.00 0.32 C ATOM 2405 C LEU B 63 152.213 11.690 -4.443 1.00 0.33 C ATOM 2406 O LEU B 63 152.501 12.465 -3.553 1.00 0.32 O ATOM 2407 CB LEU B 63 151.874 9.224 -4.127 1.00 0.31 C ATOM 2408 CG LEU B 63 152.931 9.242 -3.011 1.00 0.30 C ATOM 2409 CD1 LEU B 63 152.281 9.601 -1.667 1.00 0.30 C ATOM 2410 CD2 LEU B 63 153.568 7.851 -2.912 1.00 0.32 C ATOM 0 H LEU B 63 150.265 9.736 -5.971 1.00 0.34 H new ATOM 0 HA LEU B 63 150.632 10.792 -3.313 1.00 0.32 H new ATOM 0 HB2 LEU B 63 151.136 8.448 -3.924 1.00 0.31 H new ATOM 0 HB3 LEU B 63 152.346 8.975 -5.078 1.00 0.31 H new ATOM 0 HG LEU B 63 153.689 9.989 -3.244 1.00 0.30 H new ATOM 0 HD11 LEU B 63 153.041 9.610 -0.886 1.00 0.30 H new ATOM 0 HD12 LEU B 63 151.821 10.587 -1.737 1.00 0.30 H new ATOM 0 HD13 LEU B 63 151.518 8.861 -1.423 1.00 0.30 H new ATOM 0 HD21 LEU B 63 154.320 7.851 -2.123 1.00 0.32 H new ATOM 0 HD22 LEU B 63 152.799 7.114 -2.680 1.00 0.32 H new ATOM 0 HD23 LEU B 63 154.038 7.598 -3.862 1.00 0.32 H new ATOM 2422 N LYS B 64 152.775 11.763 -5.612 1.00 0.35 N ATOM 2423 CA LYS B 64 153.794 12.811 -5.883 1.00 0.37 C ATOM 2424 C LYS B 64 153.170 14.195 -5.714 1.00 0.38 C ATOM 2425 O LYS B 64 153.736 15.074 -5.095 1.00 0.38 O ATOM 2426 CB LYS B 64 154.332 12.646 -7.307 1.00 0.41 C ATOM 2427 CG LYS B 64 155.383 13.723 -7.589 1.00 0.43 C ATOM 2428 CD LYS B 64 155.994 13.487 -8.970 1.00 0.68 C ATOM 2429 CE LYS B 64 157.010 14.590 -9.273 1.00 1.24 C ATOM 2430 NZ LYS B 64 158.127 14.520 -8.287 1.00 2.10 N ATOM 0 H LYS B 64 152.573 11.141 -6.395 1.00 0.35 H new ATOM 0 HA LYS B 64 154.618 12.708 -5.176 1.00 0.37 H new ATOM 0 HB2 LYS B 64 154.771 11.656 -7.428 1.00 0.41 H new ATOM 0 HB3 LYS B 64 153.516 12.723 -8.026 1.00 0.41 H new ATOM 0 HG2 LYS B 64 154.927 14.712 -7.545 1.00 0.43 H new ATOM 0 HG3 LYS B 64 156.161 13.696 -6.826 1.00 0.43 H new ATOM 0 HD2 LYS B 64 156.479 12.512 -9.003 1.00 0.68 H new ATOM 0 HD3 LYS B 64 155.212 13.480 -9.729 1.00 0.68 H new ATOM 0 HE2 LYS B 64 157.397 14.475 -10.286 1.00 1.24 H new ATOM 0 HE3 LYS B 64 156.528 15.567 -9.225 1.00 1.24 H new ATOM 0 HZ1 LYS B 64 158.953 15.029 -8.662 1.00 2.10 H new ATOM 0 HZ2 LYS B 64 157.828 14.957 -7.392 1.00 2.10 H new ATOM 0 HZ3 LYS B 64 158.380 13.525 -8.119 1.00 2.10 H new ATOM 2444 N ASP B 65 152.006 14.393 -6.265 1.00 0.41 N ATOM 2445 CA ASP B 65 151.336 15.719 -6.149 1.00 0.44 C ATOM 2446 C ASP B 65 150.874 15.944 -4.709 1.00 0.43 C ATOM 2447 O ASP B 65 150.732 17.064 -4.262 1.00 0.45 O ATOM 2448 CB ASP B 65 150.122 15.757 -7.080 1.00 0.48 C ATOM 2449 CG ASP B 65 150.595 15.762 -8.534 1.00 1.17 C ATOM 2450 OD1 ASP B 65 151.558 16.453 -8.822 1.00 1.90 O ATOM 2451 OD2 ASP B 65 149.989 15.070 -9.335 1.00 1.41 O ATOM 0 H ASP B 65 151.487 13.691 -6.793 1.00 0.41 H new ATOM 0 HA ASP B 65 152.041 16.502 -6.428 1.00 0.44 H new ATOM 0 HB2 ASP B 65 149.483 14.893 -6.897 1.00 0.48 H new ATOM 0 HB3 ASP B 65 149.523 16.645 -6.878 1.00 0.48 H new ATOM 2456 N THR B 66 150.603 14.889 -3.988 1.00 0.39 N ATOM 2457 CA THR B 66 150.109 15.044 -2.590 1.00 0.39 C ATOM 2458 C THR B 66 151.256 15.316 -1.615 1.00 0.38 C ATOM 2459 O THR B 66 151.059 16.002 -0.631 1.00 0.40 O ATOM 2460 CB THR B 66 149.376 13.769 -2.163 1.00 0.37 C ATOM 2461 OG1 THR B 66 148.269 13.551 -3.025 1.00 0.37 O ATOM 2462 CG2 THR B 66 148.878 13.921 -0.723 1.00 0.38 C ATOM 0 H THR B 66 150.703 13.926 -4.308 1.00 0.39 H new ATOM 0 HA THR B 66 149.431 15.897 -2.566 1.00 0.39 H new ATOM 0 HB THR B 66 150.058 12.921 -2.222 1.00 0.37 H new ATOM 0 HG1 THR B 66 148.520 12.912 -3.725 1.00 0.37 H new ATOM 0 HG21 THR B 66 148.357 13.013 -0.421 1.00 0.38 H new ATOM 0 HG22 THR B 66 149.727 14.090 -0.060 1.00 0.38 H new ATOM 0 HG23 THR B 66 148.196 14.769 -0.662 1.00 0.38 H new ATOM 2470 N CYS B 67 152.435 14.766 -1.824 1.00 0.36 N ATOM 2471 CA CYS B 67 153.552 14.985 -0.842 1.00 0.37 C ATOM 2472 C CYS B 67 154.847 15.419 -1.533 1.00 0.37 C ATOM 2473 O CYS B 67 155.677 16.081 -0.942 1.00 0.39 O ATOM 2474 CB CYS B 67 153.810 13.675 -0.099 1.00 0.36 C ATOM 2475 SG CYS B 67 154.299 12.397 -1.285 1.00 0.36 S ATOM 0 H CYS B 67 152.670 14.180 -2.625 1.00 0.36 H new ATOM 0 HA CYS B 67 153.252 15.780 -0.159 1.00 0.37 H new ATOM 0 HB2 CYS B 67 154.594 13.815 0.646 1.00 0.36 H new ATOM 0 HB3 CYS B 67 152.913 13.365 0.437 1.00 0.36 H new ATOM 0 HG CYS B 67 153.298 12.127 -2.069 1.00 0.36 H new ATOM 2481 N GLY B 68 155.038 15.040 -2.772 1.00 0.35 N ATOM 2482 CA GLY B 68 156.292 15.417 -3.501 1.00 0.36 C ATOM 2483 C GLY B 68 157.200 14.187 -3.609 1.00 0.34 C ATOM 2484 O GLY B 68 158.367 14.294 -3.930 1.00 0.33 O ATOM 0 H GLY B 68 154.377 14.483 -3.314 1.00 0.35 H new ATOM 0 HA2 GLY B 68 156.050 15.794 -4.495 1.00 0.36 H new ATOM 0 HA3 GLY B 68 156.807 16.219 -2.973 1.00 0.36 H new ATOM 2488 N ALA B 69 156.675 13.020 -3.346 1.00 0.32 N ATOM 2489 CA ALA B 69 157.506 11.785 -3.436 1.00 0.31 C ATOM 2490 C ALA B 69 158.204 11.732 -4.798 1.00 0.31 C ATOM 2491 O ALA B 69 157.731 12.290 -5.767 1.00 0.32 O ATOM 2492 CB ALA B 69 156.606 10.558 -3.280 1.00 0.31 C ATOM 0 H ALA B 69 155.704 12.869 -3.072 1.00 0.32 H new ATOM 0 HA ALA B 69 158.256 11.794 -2.645 1.00 0.31 H new ATOM 0 HB1 ALA B 69 157.210 9.653 -3.345 1.00 0.31 H new ATOM 0 HB2 ALA B 69 156.108 10.593 -2.311 1.00 0.31 H new ATOM 0 HB3 ALA B 69 155.858 10.553 -4.072 1.00 0.31 H new ATOM 2498 N ASN B 70 159.331 11.074 -4.879 1.00 0.29 N ATOM 2499 CA ASN B 70 160.065 10.994 -6.180 1.00 0.29 C ATOM 2500 C ASN B 70 159.623 9.744 -6.947 1.00 0.29 C ATOM 2501 O ASN B 70 158.878 8.924 -6.448 1.00 0.29 O ATOM 2502 CB ASN B 70 161.571 10.923 -5.912 1.00 0.29 C ATOM 2503 CG ASN B 70 162.037 12.224 -5.255 1.00 1.07 C ATOM 2504 OD1 ASN B 70 162.522 12.216 -4.141 1.00 1.91 O ATOM 2505 ND2 ASN B 70 161.915 13.349 -5.906 1.00 1.78 N ATOM 0 H ASN B 70 159.776 10.588 -4.101 1.00 0.29 H new ATOM 0 HA ASN B 70 159.841 11.879 -6.775 1.00 0.29 H new ATOM 0 HB2 ASN B 70 161.796 10.076 -5.264 1.00 0.29 H new ATOM 0 HB3 ASN B 70 162.110 10.762 -6.846 1.00 0.29 H new ATOM 0 HD21 ASN B 70 162.227 14.221 -5.479 1.00 1.78 H new ATOM 0 HD22 ASN B 70 161.508 13.355 -6.841 1.00 1.78 H new ATOM 2512 N ALA B 71 160.068 9.605 -8.166 1.00 0.31 N ATOM 2513 CA ALA B 71 159.671 8.426 -8.991 1.00 0.33 C ATOM 2514 C ALA B 71 160.117 7.119 -8.329 1.00 0.31 C ATOM 2515 O ALA B 71 159.465 6.106 -8.455 1.00 0.31 O ATOM 2516 CB ALA B 71 160.319 8.533 -10.371 1.00 0.38 C ATOM 0 H ALA B 71 160.695 10.262 -8.630 1.00 0.31 H new ATOM 0 HA ALA B 71 158.585 8.419 -9.082 1.00 0.33 H new ATOM 0 HB1 ALA B 71 160.031 7.673 -10.976 1.00 0.38 H new ATOM 0 HB2 ALA B 71 159.986 9.449 -10.860 1.00 0.38 H new ATOM 0 HB3 ALA B 71 161.403 8.554 -10.263 1.00 0.38 H new ATOM 2522 N LYS B 72 161.226 7.115 -7.643 1.00 0.29 N ATOM 2523 CA LYS B 72 161.685 5.843 -7.012 1.00 0.28 C ATOM 2524 C LYS B 72 160.821 5.522 -5.789 1.00 0.26 C ATOM 2525 O LYS B 72 160.489 4.382 -5.530 1.00 0.26 O ATOM 2526 CB LYS B 72 163.157 5.973 -6.600 1.00 0.28 C ATOM 2527 CG LYS B 72 163.281 6.926 -5.404 1.00 1.18 C ATOM 2528 CD LYS B 72 164.750 7.310 -5.176 1.00 1.28 C ATOM 2529 CE LYS B 72 165.493 6.161 -4.488 1.00 2.10 C ATOM 2530 NZ LYS B 72 166.888 6.589 -4.183 1.00 2.57 N ATOM 0 H LYS B 72 161.828 7.924 -7.492 1.00 0.29 H new ATOM 0 HA LYS B 72 161.587 5.030 -7.732 1.00 0.28 H new ATOM 0 HB2 LYS B 72 163.559 4.994 -6.339 1.00 0.28 H new ATOM 0 HB3 LYS B 72 163.747 6.347 -7.437 1.00 0.28 H new ATOM 0 HG2 LYS B 72 162.688 7.823 -5.582 1.00 1.18 H new ATOM 0 HG3 LYS B 72 162.880 6.451 -4.509 1.00 1.18 H new ATOM 0 HD2 LYS B 72 165.226 7.542 -6.129 1.00 1.28 H new ATOM 0 HD3 LYS B 72 164.808 8.210 -4.563 1.00 1.28 H new ATOM 0 HE2 LYS B 72 164.978 5.878 -3.570 1.00 2.10 H new ATOM 0 HE3 LYS B 72 165.503 5.282 -5.132 1.00 2.10 H new ATOM 0 HZ1 LYS B 72 167.396 5.811 -3.716 1.00 2.57 H new ATOM 0 HZ2 LYS B 72 167.376 6.839 -5.067 1.00 2.57 H new ATOM 0 HZ3 LYS B 72 166.867 7.416 -3.553 1.00 2.57 H new ATOM 2544 N GLN B 73 160.475 6.522 -5.024 1.00 0.25 N ATOM 2545 CA GLN B 73 159.657 6.294 -3.801 1.00 0.24 C ATOM 2546 C GLN B 73 158.250 5.832 -4.172 1.00 0.25 C ATOM 2547 O GLN B 73 157.675 4.979 -3.525 1.00 0.25 O ATOM 2548 CB GLN B 73 159.565 7.598 -3.005 1.00 0.26 C ATOM 2549 CG GLN B 73 160.934 7.942 -2.413 1.00 0.28 C ATOM 2550 CD GLN B 73 161.293 6.934 -1.320 1.00 1.25 C ATOM 2551 OE1 GLN B 73 162.319 6.286 -1.387 1.00 2.12 O ATOM 2552 NE2 GLN B 73 160.490 6.779 -0.305 1.00 1.89 N ATOM 0 H GLN B 73 160.727 7.495 -5.197 1.00 0.25 H new ATOM 0 HA GLN B 73 160.134 5.519 -3.201 1.00 0.24 H new ATOM 0 HB2 GLN B 73 159.225 8.407 -3.652 1.00 0.26 H new ATOM 0 HB3 GLN B 73 158.829 7.497 -2.208 1.00 0.26 H new ATOM 0 HG2 GLN B 73 161.693 7.929 -3.196 1.00 0.28 H new ATOM 0 HG3 GLN B 73 160.919 8.951 -2.000 1.00 0.28 H new ATOM 0 HE21 GLN B 73 159.629 7.323 -0.248 1.00 1.89 H new ATOM 0 HE22 GLN B 73 160.723 6.114 0.433 1.00 1.89 H new ATOM 2561 N SER B 74 157.683 6.402 -5.197 1.00 0.26 N ATOM 2562 CA SER B 74 156.306 6.007 -5.591 1.00 0.27 C ATOM 2563 C SER B 74 156.303 4.568 -6.112 1.00 0.26 C ATOM 2564 O SER B 74 155.382 3.816 -5.864 1.00 0.26 O ATOM 2565 CB SER B 74 155.792 6.959 -6.673 1.00 0.30 C ATOM 2566 OG SER B 74 154.372 6.918 -6.689 1.00 1.36 O ATOM 0 H SER B 74 158.113 7.122 -5.777 1.00 0.26 H new ATOM 0 HA SER B 74 155.651 6.065 -4.721 1.00 0.27 H new ATOM 0 HB2 SER B 74 156.137 7.974 -6.476 1.00 0.30 H new ATOM 0 HB3 SER B 74 156.188 6.671 -7.647 1.00 0.30 H new ATOM 0 HG SER B 74 154.016 7.758 -6.332 1.00 1.36 H new ATOM 2572 N ARG B 75 157.323 4.171 -6.827 1.00 0.27 N ATOM 2573 CA ARG B 75 157.361 2.775 -7.350 1.00 0.27 C ATOM 2574 C ARG B 75 157.329 1.790 -6.183 1.00 0.26 C ATOM 2575 O ARG B 75 156.733 0.735 -6.280 1.00 0.26 O ATOM 2576 CB ARG B 75 158.624 2.568 -8.188 1.00 0.29 C ATOM 2577 CG ARG B 75 158.452 3.281 -9.534 1.00 0.32 C ATOM 2578 CD ARG B 75 159.710 3.094 -10.390 1.00 0.61 C ATOM 2579 NE ARG B 75 159.782 4.180 -11.423 1.00 1.35 N ATOM 2580 CZ ARG B 75 158.775 4.440 -12.217 1.00 1.82 C ATOM 2581 NH1 ARG B 75 157.752 3.635 -12.284 1.00 1.89 N ATOM 2582 NH2 ARG B 75 158.822 5.486 -12.997 1.00 2.81 N ATOM 0 H ARG B 75 158.127 4.750 -7.070 1.00 0.27 H new ATOM 0 HA ARG B 75 156.491 2.601 -7.983 1.00 0.27 H new ATOM 0 HB2 ARG B 75 159.494 2.962 -7.662 1.00 0.29 H new ATOM 0 HB3 ARG B 75 158.801 1.504 -8.345 1.00 0.29 H new ATOM 0 HG2 ARG B 75 157.583 2.883 -10.058 1.00 0.32 H new ATOM 0 HG3 ARG B 75 158.267 4.343 -9.372 1.00 0.32 H new ATOM 0 HD2 ARG B 75 160.598 3.119 -9.759 1.00 0.61 H new ATOM 0 HD3 ARG B 75 159.691 2.118 -10.875 1.00 0.61 H new ATOM 0 HE ARG B 75 160.637 4.729 -11.508 1.00 1.35 H new ATOM 0 HH11 ARG B 75 157.730 2.790 -11.713 1.00 1.89 H new ATOM 0 HH12 ARG B 75 156.974 3.850 -12.907 1.00 1.89 H new ATOM 0 HH21 ARG B 75 159.640 6.095 -12.985 1.00 2.81 H new ATOM 0 HH22 ARG B 75 158.040 5.694 -13.618 1.00 2.81 H new ATOM 2596 N ASP B 76 157.979 2.091 -5.090 1.00 0.24 N ATOM 2597 CA ASP B 76 157.997 1.144 -3.942 1.00 0.24 C ATOM 2598 C ASP B 76 156.606 1.027 -3.320 1.00 0.22 C ATOM 2599 O ASP B 76 156.177 -0.048 -2.948 1.00 0.22 O ATOM 2600 CB ASP B 76 158.979 1.657 -2.885 1.00 0.23 C ATOM 2601 CG ASP B 76 160.410 1.521 -3.407 1.00 0.25 C ATOM 2602 OD1 ASP B 76 160.623 0.707 -4.291 1.00 0.40 O ATOM 2603 OD2 ASP B 76 161.269 2.235 -2.916 1.00 0.39 O ATOM 0 H ASP B 76 158.500 2.956 -4.945 1.00 0.24 H new ATOM 0 HA ASP B 76 158.305 0.162 -4.300 1.00 0.24 H new ATOM 0 HB2 ASP B 76 158.764 2.699 -2.650 1.00 0.23 H new ATOM 0 HB3 ASP B 76 158.863 1.091 -1.961 1.00 0.23 H new ATOM 2608 N CYS B 77 155.889 2.110 -3.203 1.00 0.22 N ATOM 2609 CA CYS B 77 154.527 2.027 -2.606 1.00 0.21 C ATOM 2610 C CYS B 77 153.597 1.253 -3.542 1.00 0.22 C ATOM 2611 O CYS B 77 152.776 0.475 -3.101 1.00 0.21 O ATOM 2612 CB CYS B 77 153.978 3.441 -2.396 1.00 0.22 C ATOM 2613 SG CYS B 77 154.886 4.247 -1.054 1.00 0.23 S ATOM 0 H CYS B 77 156.184 3.042 -3.493 1.00 0.22 H new ATOM 0 HA CYS B 77 154.584 1.510 -1.648 1.00 0.21 H new ATOM 0 HB2 CYS B 77 154.075 4.020 -3.314 1.00 0.22 H new ATOM 0 HB3 CYS B 77 152.916 3.398 -2.156 1.00 0.22 H new ATOM 0 HG CYS B 77 155.469 3.345 -0.321 1.00 0.23 H new ATOM 2619 N PHE B 78 153.700 1.464 -4.826 1.00 0.23 N ATOM 2620 CA PHE B 78 152.794 0.738 -5.757 1.00 0.25 C ATOM 2621 C PHE B 78 152.984 -0.770 -5.600 1.00 0.24 C ATOM 2622 O PHE B 78 152.062 -1.489 -5.272 1.00 0.23 O ATOM 2623 CB PHE B 78 153.116 1.155 -7.195 1.00 0.28 C ATOM 2624 CG PHE B 78 152.225 0.408 -8.157 1.00 0.32 C ATOM 2625 CD1 PHE B 78 150.984 0.943 -8.524 1.00 0.36 C ATOM 2626 CD2 PHE B 78 152.645 -0.815 -8.692 1.00 0.38 C ATOM 2627 CE1 PHE B 78 150.163 0.255 -9.425 1.00 0.40 C ATOM 2628 CE2 PHE B 78 151.824 -1.504 -9.593 1.00 0.43 C ATOM 2629 CZ PHE B 78 150.583 -0.970 -9.959 1.00 0.42 C ATOM 0 H PHE B 78 154.365 2.100 -5.266 1.00 0.23 H new ATOM 0 HA PHE B 78 151.758 0.987 -5.526 1.00 0.25 H new ATOM 0 HB2 PHE B 78 152.973 2.229 -7.312 1.00 0.28 H new ATOM 0 HB3 PHE B 78 154.162 0.947 -7.418 1.00 0.28 H new ATOM 0 HD1 PHE B 78 150.660 1.887 -8.112 1.00 0.36 H new ATOM 0 HD2 PHE B 78 153.602 -1.227 -8.410 1.00 0.38 H new ATOM 0 HE1 PHE B 78 149.206 0.668 -9.708 1.00 0.40 H new ATOM 0 HE2 PHE B 78 152.148 -2.448 -10.006 1.00 0.43 H new ATOM 0 HZ PHE B 78 149.949 -1.502 -10.653 1.00 0.42 H new ATOM 2639 N GLY B 79 154.171 -1.257 -5.836 1.00 0.25 N ATOM 2640 CA GLY B 79 154.425 -2.720 -5.709 1.00 0.25 C ATOM 2641 C GLY B 79 154.170 -3.185 -4.271 1.00 0.23 C ATOM 2642 O GLY B 79 153.711 -4.284 -4.036 1.00 0.24 O ATOM 0 H GLY B 79 154.980 -0.701 -6.113 1.00 0.25 H new ATOM 0 HA2 GLY B 79 153.779 -3.268 -6.395 1.00 0.25 H new ATOM 0 HA3 GLY B 79 155.454 -2.943 -5.993 1.00 0.25 H new ATOM 2646 N CYS B 80 154.463 -2.357 -3.310 1.00 0.22 N ATOM 2647 CA CYS B 80 154.232 -2.762 -1.894 1.00 0.21 C ATOM 2648 C CYS B 80 152.732 -2.801 -1.604 1.00 0.21 C ATOM 2649 O CYS B 80 152.226 -3.761 -1.056 1.00 0.22 O ATOM 2650 CB CYS B 80 154.911 -1.764 -0.957 1.00 0.22 C ATOM 2651 SG CYS B 80 154.783 -2.358 0.748 1.00 0.24 S ATOM 0 H CYS B 80 154.850 -1.422 -3.440 1.00 0.22 H new ATOM 0 HA CYS B 80 154.654 -3.754 -1.732 1.00 0.21 H new ATOM 0 HB2 CYS B 80 155.958 -1.643 -1.234 1.00 0.22 H new ATOM 0 HB3 CYS B 80 154.442 -0.785 -1.049 1.00 0.22 H new ATOM 0 HG CYS B 80 155.724 -3.225 0.977 1.00 0.24 H new ATOM 2657 N LEU B 81 152.008 -1.787 -1.988 1.00 0.21 N ATOM 2658 CA LEU B 81 150.542 -1.822 -1.742 1.00 0.21 C ATOM 2659 C LEU B 81 149.921 -2.865 -2.678 1.00 0.21 C ATOM 2660 O LEU B 81 149.034 -3.604 -2.301 1.00 0.22 O ATOM 2661 CB LEU B 81 149.947 -0.439 -2.036 1.00 0.22 C ATOM 2662 CG LEU B 81 150.592 0.618 -1.121 1.00 0.24 C ATOM 2663 CD1 LEU B 81 150.386 2.009 -1.725 1.00 0.29 C ATOM 2664 CD2 LEU B 81 149.945 0.587 0.270 1.00 0.28 C ATOM 0 H LEU B 81 152.360 -0.950 -2.453 1.00 0.21 H new ATOM 0 HA LEU B 81 150.335 -2.084 -0.704 1.00 0.21 H new ATOM 0 HB2 LEU B 81 150.113 -0.177 -3.081 1.00 0.22 H new ATOM 0 HB3 LEU B 81 148.868 -0.458 -1.880 1.00 0.22 H new ATOM 0 HG LEU B 81 151.656 0.397 -1.031 1.00 0.24 H new ATOM 0 HD11 LEU B 81 150.842 2.758 -1.078 1.00 0.29 H new ATOM 0 HD12 LEU B 81 150.850 2.050 -2.711 1.00 0.29 H new ATOM 0 HD13 LEU B 81 149.319 2.211 -1.817 1.00 0.29 H new ATOM 0 HD21 LEU B 81 150.412 1.340 0.905 1.00 0.28 H new ATOM 0 HD22 LEU B 81 148.879 0.798 0.180 1.00 0.28 H new ATOM 0 HD23 LEU B 81 150.084 -0.399 0.714 1.00 0.28 H new ATOM 2676 N ARG B 82 150.381 -2.925 -3.903 1.00 0.22 N ATOM 2677 CA ARG B 82 149.822 -3.914 -4.869 1.00 0.24 C ATOM 2678 C ARG B 82 150.095 -5.336 -4.376 1.00 0.25 C ATOM 2679 O ARG B 82 149.260 -6.212 -4.495 1.00 0.26 O ATOM 2680 CB ARG B 82 150.465 -3.709 -6.247 1.00 0.28 C ATOM 2681 CG ARG B 82 149.891 -4.717 -7.251 1.00 0.32 C ATOM 2682 CD ARG B 82 150.528 -4.487 -8.622 1.00 0.85 C ATOM 2683 NE ARG B 82 149.972 -5.468 -9.612 1.00 1.42 N ATOM 2684 CZ ARG B 82 150.115 -6.757 -9.456 1.00 1.96 C ATOM 2685 NH1 ARG B 82 150.890 -7.226 -8.517 1.00 2.26 N ATOM 2686 NH2 ARG B 82 149.517 -7.580 -10.272 1.00 2.74 N ATOM 0 H ARG B 82 151.121 -2.329 -4.274 1.00 0.22 H new ATOM 0 HA ARG B 82 148.745 -3.767 -4.949 1.00 0.24 H new ATOM 0 HB2 ARG B 82 150.282 -2.692 -6.595 1.00 0.28 H new ATOM 0 HB3 ARG B 82 151.546 -3.831 -6.175 1.00 0.28 H new ATOM 0 HG2 ARG B 82 150.086 -5.735 -6.913 1.00 0.32 H new ATOM 0 HG3 ARG B 82 148.809 -4.605 -7.317 1.00 0.32 H new ATOM 0 HD2 ARG B 82 150.333 -3.468 -8.957 1.00 0.85 H new ATOM 0 HD3 ARG B 82 151.610 -4.599 -8.554 1.00 0.85 H new ATOM 0 HE ARG B 82 149.469 -5.119 -10.428 1.00 1.42 H new ATOM 0 HH11 ARG B 82 151.388 -6.585 -7.900 1.00 2.26 H new ATOM 0 HH12 ARG B 82 150.997 -8.234 -8.400 1.00 2.26 H new ATOM 0 HH21 ARG B 82 148.939 -7.217 -11.030 1.00 2.74 H new ATOM 0 HH22 ARG B 82 149.627 -8.587 -10.152 1.00 2.74 H new ATOM 2700 N GLU B 83 151.258 -5.583 -3.837 1.00 0.25 N ATOM 2701 CA GLU B 83 151.576 -6.957 -3.358 1.00 0.27 C ATOM 2702 C GLU B 83 150.741 -7.300 -2.124 1.00 0.27 C ATOM 2703 O GLU B 83 150.287 -8.418 -1.980 1.00 0.28 O ATOM 2704 CB GLU B 83 153.073 -7.064 -3.033 1.00 0.29 C ATOM 2705 CG GLU B 83 153.869 -7.195 -4.337 1.00 0.33 C ATOM 2706 CD GLU B 83 155.366 -7.101 -4.042 1.00 1.20 C ATOM 2707 OE1 GLU B 83 155.714 -6.935 -2.884 1.00 1.91 O ATOM 2708 OE2 GLU B 83 156.141 -7.203 -4.978 1.00 1.57 O ATOM 0 H GLU B 83 151.999 -4.894 -3.708 1.00 0.25 H new ATOM 0 HA GLU B 83 151.332 -7.668 -4.147 1.00 0.27 H new ATOM 0 HB2 GLU B 83 153.400 -6.183 -2.481 1.00 0.29 H new ATOM 0 HB3 GLU B 83 153.257 -7.927 -2.393 1.00 0.29 H new ATOM 0 HG2 GLU B 83 153.643 -8.147 -4.818 1.00 0.33 H new ATOM 0 HG3 GLU B 83 153.576 -6.409 -5.033 1.00 0.33 H new ATOM 2715 N TRP B 84 150.503 -6.370 -1.239 1.00 0.25 N ATOM 2716 CA TRP B 84 149.669 -6.702 -0.054 1.00 0.25 C ATOM 2717 C TRP B 84 148.303 -7.147 -0.570 1.00 0.26 C ATOM 2718 O TRP B 84 147.741 -8.128 -0.123 1.00 0.28 O ATOM 2719 CB TRP B 84 149.512 -5.467 0.834 1.00 0.25 C ATOM 2720 CG TRP B 84 148.801 -5.848 2.092 1.00 0.27 C ATOM 2721 CD1 TRP B 84 149.413 -6.268 3.221 1.00 0.30 C ATOM 2722 CD2 TRP B 84 147.371 -5.857 2.374 1.00 0.29 C ATOM 2723 NE1 TRP B 84 148.454 -6.538 4.178 1.00 0.32 N ATOM 2724 CE2 TRP B 84 147.180 -6.301 3.705 1.00 0.32 C ATOM 2725 CE3 TRP B 84 146.233 -5.529 1.615 1.00 0.31 C ATOM 2726 CZ2 TRP B 84 145.908 -6.416 4.263 1.00 0.35 C ATOM 2727 CZ3 TRP B 84 144.950 -5.643 2.176 1.00 0.35 C ATOM 2728 CH2 TRP B 84 144.787 -6.087 3.497 1.00 0.36 C ATOM 0 H TRP B 84 150.845 -5.410 -1.285 1.00 0.25 H new ATOM 0 HA TRP B 84 150.135 -7.491 0.537 1.00 0.25 H new ATOM 0 HB2 TRP B 84 150.490 -5.047 1.069 1.00 0.25 H new ATOM 0 HB3 TRP B 84 148.952 -4.695 0.306 1.00 0.25 H new ATOM 0 HD1 TRP B 84 150.479 -6.375 3.354 1.00 0.30 H new ATOM 0 HE1 TRP B 84 148.662 -6.872 5.119 1.00 0.32 H new ATOM 0 HE3 TRP B 84 146.346 -5.188 0.596 1.00 0.31 H new ATOM 0 HZ2 TRP B 84 145.790 -6.757 5.281 1.00 0.35 H new ATOM 0 HZ3 TRP B 84 144.082 -5.387 1.586 1.00 0.35 H new ATOM 0 HH2 TRP B 84 143.797 -6.174 3.921 1.00 0.36 H new ATOM 2739 N CYS B 85 147.778 -6.433 -1.528 1.00 0.27 N ATOM 2740 CA CYS B 85 146.458 -6.804 -2.106 1.00 0.30 C ATOM 2741 C CYS B 85 146.558 -8.205 -2.713 1.00 0.33 C ATOM 2742 O CYS B 85 145.667 -9.020 -2.585 1.00 0.36 O ATOM 2743 CB CYS B 85 146.105 -5.796 -3.204 1.00 0.33 C ATOM 2744 SG CYS B 85 145.555 -4.248 -2.447 1.00 0.33 S ATOM 0 H CYS B 85 148.210 -5.604 -1.936 1.00 0.27 H new ATOM 0 HA CYS B 85 145.689 -6.795 -1.334 1.00 0.30 H new ATOM 0 HB2 CYS B 85 146.972 -5.615 -3.839 1.00 0.33 H new ATOM 0 HB3 CYS B 85 145.320 -6.199 -3.844 1.00 0.33 H new ATOM 0 HG CYS B 85 145.257 -3.391 -3.378 1.00 0.33 H new ATOM 2750 N ASP B 86 147.651 -8.484 -3.368 1.00 0.34 N ATOM 2751 CA ASP B 86 147.844 -9.823 -3.989 1.00 0.40 C ATOM 2752 C ASP B 86 147.814 -10.902 -2.904 1.00 0.41 C ATOM 2753 O ASP B 86 147.299 -11.985 -3.103 1.00 0.43 O ATOM 2754 CB ASP B 86 149.194 -9.863 -4.703 1.00 0.42 C ATOM 2755 CG ASP B 86 149.141 -8.961 -5.938 1.00 0.43 C ATOM 2756 OD1 ASP B 86 148.058 -8.781 -6.469 1.00 0.55 O ATOM 2757 OD2 ASP B 86 150.184 -8.461 -6.326 1.00 0.52 O ATOM 0 H ASP B 86 148.426 -7.834 -3.500 1.00 0.34 H new ATOM 0 HA ASP B 86 147.044 -10.006 -4.706 1.00 0.40 H new ATOM 0 HB2 ASP B 86 149.984 -9.531 -4.030 1.00 0.42 H new ATOM 0 HB3 ASP B 86 149.433 -10.885 -4.995 1.00 0.42 H new ATOM 2762 N ALA B 87 148.382 -10.617 -1.759 1.00 0.40 N ATOM 2763 CA ALA B 87 148.413 -11.628 -0.661 1.00 0.43 C ATOM 2764 C ALA B 87 147.146 -11.519 0.189 1.00 0.43 C ATOM 2765 O ALA B 87 146.617 -12.509 0.652 1.00 0.47 O ATOM 2766 CB ALA B 87 149.639 -11.376 0.220 1.00 0.40 C ATOM 0 H ALA B 87 148.826 -9.726 -1.538 1.00 0.40 H new ATOM 0 HA ALA B 87 148.466 -12.627 -1.094 1.00 0.43 H new ATOM 0 HB1 ALA B 87 149.667 -12.112 1.024 1.00 0.40 H new ATOM 0 HB2 ALA B 87 150.544 -11.462 -0.382 1.00 0.40 H new ATOM 0 HB3 ALA B 87 149.581 -10.375 0.646 1.00 0.40 H new ATOM 2772 N PHE B 88 146.667 -10.322 0.419 1.00 0.39 N ATOM 2773 CA PHE B 88 145.444 -10.144 1.261 1.00 0.44 C ATOM 2774 C PHE B 88 144.235 -9.830 0.384 1.00 0.54 C ATOM 2775 O PHE B 88 143.490 -10.708 -0.007 1.00 1.24 O ATOM 2776 CB PHE B 88 145.666 -8.972 2.218 1.00 0.41 C ATOM 2777 CG PHE B 88 146.677 -9.346 3.274 1.00 0.38 C ATOM 2778 CD1 PHE B 88 148.040 -9.111 3.058 1.00 0.35 C ATOM 2779 CD2 PHE B 88 146.245 -9.915 4.476 1.00 0.43 C ATOM 2780 CE1 PHE B 88 148.972 -9.447 4.048 1.00 0.39 C ATOM 2781 CE2 PHE B 88 147.176 -10.253 5.464 1.00 0.46 C ATOM 2782 CZ PHE B 88 148.540 -10.018 5.250 1.00 0.44 C ATOM 0 H PHE B 88 147.072 -9.458 0.059 1.00 0.39 H new ATOM 0 HA PHE B 88 145.260 -11.065 1.814 1.00 0.44 H new ATOM 0 HB2 PHE B 88 146.014 -8.101 1.663 1.00 0.41 H new ATOM 0 HB3 PHE B 88 144.723 -8.694 2.689 1.00 0.41 H new ATOM 0 HD1 PHE B 88 148.372 -8.671 2.129 1.00 0.35 H new ATOM 0 HD2 PHE B 88 145.193 -10.094 4.642 1.00 0.43 H new ATOM 0 HE1 PHE B 88 150.024 -9.265 3.884 1.00 0.39 H new ATOM 0 HE2 PHE B 88 146.843 -10.695 6.391 1.00 0.46 H new ATOM 0 HZ PHE B 88 149.259 -10.278 6.013 1.00 0.44 H new ATOM 2792 N LEU B 89 144.021 -8.575 0.097 1.00 0.39 N ATOM 2793 CA LEU B 89 142.850 -8.160 -0.725 1.00 0.36 C ATOM 2794 C LEU B 89 143.149 -8.398 -2.206 1.00 0.87 C ATOM 2795 O LEU B 89 143.765 -7.544 -2.810 1.00 1.43 O ATOM 2796 CB LEU B 89 142.614 -6.666 -0.468 1.00 0.74 C ATOM 2797 CG LEU B 89 141.590 -6.086 -1.448 1.00 0.47 C ATOM 2798 CD1 LEU B 89 140.330 -6.955 -1.462 1.00 1.00 C ATOM 2799 CD2 LEU B 89 141.224 -4.658 -1.007 1.00 1.27 C ATOM 2800 OXT LEU B 89 142.757 -9.439 -2.708 1.00 1.67 O ATOM 0 H LEU B 89 144.619 -7.807 0.403 1.00 0.39 H new ATOM 0 HA LEU B 89 141.965 -8.737 -0.459 1.00 0.36 H new ATOM 0 HB2 LEU B 89 142.264 -6.522 0.554 1.00 0.74 H new ATOM 0 HB3 LEU B 89 143.556 -6.126 -0.562 1.00 0.74 H new ATOM 0 HG LEU B 89 142.019 -6.066 -2.450 1.00 0.47 H new ATOM 0 HD11 LEU B 89 139.607 -6.536 -2.161 1.00 1.00 H new ATOM 0 HD12 LEU B 89 140.590 -7.967 -1.772 1.00 1.00 H new ATOM 0 HD13 LEU B 89 139.895 -6.982 -0.463 1.00 1.00 H new ATOM 0 HD21 LEU B 89 140.495 -4.239 -1.700 1.00 1.27 H new ATOM 0 HD22 LEU B 89 140.797 -4.685 -0.004 1.00 1.27 H new ATOM 0 HD23 LEU B 89 142.120 -4.037 -1.003 1.00 1.27 H new TER 2812 LEU B 89