USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 946 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: B 1 MET N :NH3+ -125:sc= 0.0546 (180deg=-0.11) USER MOD Set 2.1: A 18 MET CE :methyl -149:sc= -5.41! (180deg=-7.31!) USER MOD Set 2.2: B 18 MET CE :methyl 158:sc= -4.07! (180deg=-4.86!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0.338 (180deg=0.314) USER MOD Single : A 2 LYS NZ :NH3+ 140:sc= 1.8 (180deg=-2.17!) USER MOD Single : A 3 SER OG : rot 165:sc= -0.669 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= -0.118 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 139:sc= 1.26 (180deg=1.11) USER MOD Single : A 47 LYS NZ :NH3+ -177:sc= 2.43 (180deg=2.36) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 2 LYS NZ :NH3+ -124:sc= 2.12 (180deg=0.402) USER MOD Single : B 3 SER OG : rot 160:sc= 0.0284 USER MOD Single : B 9 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.012) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 SER OG : rot -20:sc= 0.585 USER MOD Single : B 42 LYS NZ :NH3+ 155:sc= -0.0584 (180deg=-0.774) USER MOD Single : B 46 LYS NZ :NH3+ 166:sc= 0.562 (180deg=0.11) USER MOD Single : B 47 LYS NZ :NH3+ -167:sc= 1.5 (180deg=0.939) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ -168:sc= -0.0187 (180deg=-0.203) USER MOD Single : B 51 HIS : no HD1:sc= -0.0244 X(o=-0.024,f=0.0023) USER MOD Single : B 54 CYS SG : rot 41:sc= -0.195 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.738 5.684 -11.088 1.00 2.39 N ATOM 2 CA MET A 1 -8.729 5.984 -12.136 1.00 1.49 C ATOM 3 C MET A 1 -7.595 6.818 -11.557 1.00 1.24 C ATOM 4 O MET A 1 -7.586 8.044 -11.677 1.00 1.91 O ATOM 5 CB MET A 1 -9.360 6.733 -13.315 1.00 2.01 C ATOM 6 CG MET A 1 -10.423 5.942 -14.057 1.00 2.70 C ATOM 7 SD MET A 1 -11.108 6.855 -15.453 1.00 3.90 S ATOM 8 CE MET A 1 -12.297 5.671 -16.079 1.00 4.80 C ATOM 0 H1 MET A 1 -10.470 5.058 -11.480 1.00 2.39 H new ATOM 0 H2 MET A 1 -9.275 5.214 -10.285 1.00 2.39 H new ATOM 0 H3 MET A 1 -10.176 6.570 -10.765 1.00 2.39 H new ATOM 0 HA MET A 1 -8.335 5.034 -12.497 1.00 1.49 H new ATOM 0 HB2 MET A 1 -9.802 7.659 -12.948 1.00 2.01 H new ATOM 0 HB3 MET A 1 -8.574 7.011 -14.017 1.00 2.01 H new ATOM 0 HG2 MET A 1 -9.993 5.006 -14.414 1.00 2.70 H new ATOM 0 HG3 MET A 1 -11.226 5.681 -13.367 1.00 2.70 H new ATOM 0 HE1 MET A 1 -12.805 6.090 -16.947 1.00 4.80 H new ATOM 0 HE2 MET A 1 -11.781 4.755 -16.368 1.00 4.80 H new ATOM 0 HE3 MET A 1 -13.029 5.446 -15.304 1.00 4.80 H new ATOM 20 N LYS A 2 -6.653 6.161 -10.893 1.00 0.91 N ATOM 21 CA LYS A 2 -5.500 6.859 -10.352 1.00 0.58 C ATOM 22 C LYS A 2 -4.276 6.609 -11.223 1.00 0.56 C ATOM 23 O LYS A 2 -4.382 5.969 -12.265 1.00 0.81 O ATOM 24 CB LYS A 2 -5.245 6.455 -8.897 1.00 0.74 C ATOM 25 CG LYS A 2 -6.412 6.818 -7.994 1.00 0.82 C ATOM 26 CD LYS A 2 -6.031 6.882 -6.520 1.00 0.85 C ATOM 27 CE LYS A 2 -5.596 5.536 -5.983 1.00 1.75 C ATOM 28 NZ LYS A 2 -5.235 5.602 -4.542 1.00 2.48 N ATOM 0 H LYS A 2 -6.666 5.156 -10.719 1.00 0.91 H new ATOM 0 HA LYS A 2 -5.708 7.929 -10.359 1.00 0.58 H new ATOM 0 HB2 LYS A 2 -5.066 5.381 -8.845 1.00 0.74 H new ATOM 0 HB3 LYS A 2 -4.341 6.947 -8.537 1.00 0.74 H new ATOM 0 HG2 LYS A 2 -6.815 7.783 -8.301 1.00 0.82 H new ATOM 0 HG3 LYS A 2 -7.207 6.084 -8.126 1.00 0.82 H new ATOM 0 HD2 LYS A 2 -5.224 7.603 -6.386 1.00 0.85 H new ATOM 0 HD3 LYS A 2 -6.881 7.244 -5.942 1.00 0.85 H new ATOM 0 HE2 LYS A 2 -6.400 4.813 -6.123 1.00 1.75 H new ATOM 0 HE3 LYS A 2 -4.741 5.177 -6.555 1.00 1.75 H new ATOM 0 HZ1 LYS A 2 -5.588 4.753 -4.056 1.00 2.48 H new ATOM 0 HZ2 LYS A 2 -4.201 5.651 -4.445 1.00 2.48 H new ATOM 0 HZ3 LYS A 2 -5.664 6.448 -4.115 1.00 2.48 H new ATOM 42 N SER A 3 -3.133 7.126 -10.790 1.00 0.41 N ATOM 43 CA SER A 3 -1.886 7.030 -11.546 1.00 0.39 C ATOM 44 C SER A 3 -1.612 5.605 -12.012 1.00 0.37 C ATOM 45 O SER A 3 -1.210 5.377 -13.153 1.00 0.48 O ATOM 46 CB SER A 3 -0.724 7.528 -10.691 1.00 0.37 C ATOM 47 OG SER A 3 0.481 7.546 -11.429 1.00 1.00 O ATOM 0 H SER A 3 -3.042 7.624 -9.905 1.00 0.41 H new ATOM 0 HA SER A 3 -1.987 7.655 -12.434 1.00 0.39 H new ATOM 0 HB2 SER A 3 -0.943 8.530 -10.323 1.00 0.37 H new ATOM 0 HB3 SER A 3 -0.610 6.885 -9.818 1.00 0.37 H new ATOM 0 HG SER A 3 1.148 8.084 -10.953 1.00 1.00 H new ATOM 53 N ILE A 4 -1.828 4.649 -11.124 1.00 0.29 N ATOM 54 CA ILE A 4 -1.655 3.251 -11.473 1.00 0.27 C ATOM 55 C ILE A 4 -2.989 2.686 -11.935 1.00 0.29 C ATOM 56 O ILE A 4 -3.052 1.825 -12.811 1.00 0.34 O ATOM 57 CB ILE A 4 -1.128 2.432 -10.276 1.00 0.25 C ATOM 58 CG1 ILE A 4 -0.255 3.312 -9.376 1.00 0.31 C ATOM 59 CG2 ILE A 4 -0.336 1.232 -10.776 1.00 0.26 C ATOM 60 CD1 ILE A 4 0.321 2.590 -8.178 1.00 0.26 C ATOM 0 H ILE A 4 -2.122 4.815 -10.161 1.00 0.29 H new ATOM 0 HA ILE A 4 -0.919 3.182 -12.274 1.00 0.27 H new ATOM 0 HB ILE A 4 -1.975 2.073 -9.691 1.00 0.25 H new ATOM 0 HG12 ILE A 4 0.564 3.720 -9.969 1.00 0.31 H new ATOM 0 HG13 ILE A 4 -0.848 4.157 -9.027 1.00 0.31 H new ATOM 0 HG21 ILE A 4 0.033 0.659 -9.925 1.00 0.26 H new ATOM 0 HG22 ILE A 4 -0.980 0.600 -11.387 1.00 0.26 H new ATOM 0 HG23 ILE A 4 0.508 1.576 -11.374 1.00 0.26 H new ATOM 0 HD11 ILE A 4 0.926 3.282 -7.592 1.00 0.26 H new ATOM 0 HD12 ILE A 4 -0.490 2.205 -7.560 1.00 0.26 H new ATOM 0 HD13 ILE A 4 0.943 1.762 -8.517 1.00 0.26 H new ATOM 72 N GLY A 5 -4.057 3.191 -11.322 1.00 0.31 N ATOM 73 CA GLY A 5 -5.402 2.825 -11.719 1.00 0.35 C ATOM 74 C GLY A 5 -5.793 1.444 -11.251 1.00 0.33 C ATOM 75 O GLY A 5 -6.866 0.946 -11.595 1.00 0.51 O ATOM 0 H GLY A 5 -4.010 3.855 -10.549 1.00 0.31 H new ATOM 0 HA2 GLY A 5 -6.106 3.553 -11.316 1.00 0.35 H new ATOM 0 HA3 GLY A 5 -5.481 2.872 -12.805 1.00 0.35 H new ATOM 79 N VAL A 6 -4.933 0.830 -10.459 1.00 0.18 N ATOM 80 CA VAL A 6 -5.169 -0.522 -10.004 1.00 0.15 C ATOM 81 C VAL A 6 -5.668 -0.543 -8.566 1.00 0.14 C ATOM 82 O VAL A 6 -5.140 0.149 -7.686 1.00 0.17 O ATOM 83 CB VAL A 6 -3.905 -1.400 -10.135 1.00 0.16 C ATOM 84 CG1 VAL A 6 -3.496 -1.531 -11.590 1.00 0.23 C ATOM 85 CG2 VAL A 6 -2.760 -0.834 -9.318 1.00 0.17 C ATOM 0 H VAL A 6 -4.067 1.248 -10.120 1.00 0.18 H new ATOM 0 HA VAL A 6 -5.942 -0.939 -10.649 1.00 0.15 H new ATOM 0 HB VAL A 6 -4.144 -2.390 -9.747 1.00 0.16 H new ATOM 0 HG11 VAL A 6 -2.604 -2.153 -11.663 1.00 0.23 H new ATOM 0 HG12 VAL A 6 -4.306 -1.991 -12.156 1.00 0.23 H new ATOM 0 HG13 VAL A 6 -3.284 -0.543 -11.999 1.00 0.23 H new ATOM 0 HG21 VAL A 6 -1.883 -1.472 -9.429 1.00 0.17 H new ATOM 0 HG22 VAL A 6 -2.524 0.171 -9.669 1.00 0.17 H new ATOM 0 HG23 VAL A 6 -3.048 -0.793 -8.268 1.00 0.17 H new ATOM 95 N VAL A 7 -6.713 -1.329 -8.361 1.00 0.14 N ATOM 96 CA VAL A 7 -7.285 -1.544 -7.049 1.00 0.13 C ATOM 97 C VAL A 7 -7.125 -3.006 -6.653 1.00 0.14 C ATOM 98 O VAL A 7 -7.269 -3.907 -7.481 1.00 0.17 O ATOM 99 CB VAL A 7 -8.776 -1.132 -6.999 1.00 0.13 C ATOM 100 CG1 VAL A 7 -9.586 -1.853 -8.065 1.00 0.16 C ATOM 101 CG2 VAL A 7 -9.365 -1.385 -5.619 1.00 0.13 C ATOM 0 H VAL A 7 -7.188 -1.837 -9.107 1.00 0.14 H new ATOM 0 HA VAL A 7 -6.750 -0.914 -6.339 1.00 0.13 H new ATOM 0 HB VAL A 7 -8.827 -0.063 -7.204 1.00 0.13 H new ATOM 0 HG11 VAL A 7 -10.629 -1.541 -8.003 1.00 0.16 H new ATOM 0 HG12 VAL A 7 -9.192 -1.606 -9.051 1.00 0.16 H new ATOM 0 HG13 VAL A 7 -9.519 -2.929 -7.907 1.00 0.16 H new ATOM 0 HG21 VAL A 7 -10.413 -1.087 -5.611 1.00 0.13 H new ATOM 0 HG22 VAL A 7 -9.287 -2.445 -5.379 1.00 0.13 H new ATOM 0 HG23 VAL A 7 -8.817 -0.804 -4.877 1.00 0.13 H new ATOM 111 N ARG A 8 -6.814 -3.232 -5.392 1.00 0.14 N ATOM 112 CA ARG A 8 -6.553 -4.569 -4.896 1.00 0.15 C ATOM 113 C ARG A 8 -7.652 -5.022 -3.972 1.00 0.14 C ATOM 114 O ARG A 8 -8.454 -4.216 -3.505 1.00 0.17 O ATOM 115 CB ARG A 8 -5.227 -4.631 -4.146 1.00 0.18 C ATOM 116 CG ARG A 8 -4.012 -4.594 -5.044 1.00 0.28 C ATOM 117 CD ARG A 8 -4.230 -5.446 -6.273 1.00 0.34 C ATOM 118 NE ARG A 8 -3.117 -5.369 -7.219 1.00 0.67 N ATOM 119 CZ ARG A 8 -3.269 -5.384 -8.543 1.00 0.56 C ATOM 120 NH1 ARG A 8 -4.485 -5.429 -9.071 1.00 0.87 N ATOM 121 NH2 ARG A 8 -2.206 -5.362 -9.335 1.00 1.21 N ATOM 0 H ARG A 8 -6.735 -2.500 -4.686 1.00 0.14 H new ATOM 0 HA ARG A 8 -6.507 -5.228 -5.763 1.00 0.15 H new ATOM 0 HB2 ARG A 8 -5.176 -3.795 -3.448 1.00 0.18 H new ATOM 0 HB3 ARG A 8 -5.200 -5.544 -3.552 1.00 0.18 H new ATOM 0 HG2 ARG A 8 -3.804 -3.566 -5.340 1.00 0.28 H new ATOM 0 HG3 ARG A 8 -3.139 -4.951 -4.498 1.00 0.28 H new ATOM 0 HD2 ARG A 8 -4.373 -6.483 -5.970 1.00 0.34 H new ATOM 0 HD3 ARG A 8 -5.147 -5.130 -6.771 1.00 0.34 H new ATOM 0 HE ARG A 8 -2.171 -5.300 -6.844 1.00 0.67 H new ATOM 0 HH11 ARG A 8 -5.304 -5.452 -8.464 1.00 0.87 H new ATOM 0 HH12 ARG A 8 -4.601 -5.440 -10.084 1.00 0.87 H new ATOM 0 HH21 ARG A 8 -1.270 -5.334 -8.931 1.00 1.21 H new ATOM 0 HH22 ARG A 8 -2.324 -5.374 -10.348 1.00 1.21 H new ATOM 135 N LYS A 9 -7.673 -6.313 -3.713 1.00 0.14 N ATOM 136 CA LYS A 9 -8.613 -6.890 -2.780 1.00 0.15 C ATOM 137 C LYS A 9 -7.825 -7.651 -1.725 1.00 0.17 C ATOM 138 O LYS A 9 -7.027 -8.527 -2.056 1.00 0.22 O ATOM 139 CB LYS A 9 -9.600 -7.819 -3.506 1.00 0.22 C ATOM 140 CG LYS A 9 -10.184 -7.225 -4.789 1.00 0.51 C ATOM 141 CD LYS A 9 -10.842 -5.870 -4.549 1.00 0.36 C ATOM 142 CE LYS A 9 -11.348 -5.241 -5.838 1.00 0.98 C ATOM 143 NZ LYS A 9 -12.589 -5.890 -6.336 1.00 1.13 N ATOM 0 H LYS A 9 -7.041 -6.988 -4.143 1.00 0.14 H new ATOM 0 HA LYS A 9 -9.201 -6.103 -2.307 1.00 0.15 H new ATOM 0 HB2 LYS A 9 -9.093 -8.753 -3.748 1.00 0.22 H new ATOM 0 HB3 LYS A 9 -10.417 -8.066 -2.828 1.00 0.22 H new ATOM 0 HG2 LYS A 9 -9.392 -7.116 -5.530 1.00 0.51 H new ATOM 0 HG3 LYS A 9 -10.918 -7.915 -5.205 1.00 0.51 H new ATOM 0 HD2 LYS A 9 -11.673 -5.990 -3.854 1.00 0.36 H new ATOM 0 HD3 LYS A 9 -10.125 -5.199 -4.076 1.00 0.36 H new ATOM 0 HE2 LYS A 9 -11.537 -4.181 -5.672 1.00 0.98 H new ATOM 0 HE3 LYS A 9 -10.573 -5.311 -6.602 1.00 0.98 H new ATOM 0 HZ1 LYS A 9 -12.894 -5.427 -7.216 1.00 1.13 H new ATOM 0 HZ2 LYS A 9 -12.404 -6.897 -6.521 1.00 1.13 H new ATOM 0 HZ3 LYS A 9 -13.338 -5.802 -5.620 1.00 1.13 H new ATOM 157 N VAL A 10 -8.019 -7.274 -0.470 1.00 0.16 N ATOM 158 CA VAL A 10 -7.278 -7.849 0.647 1.00 0.18 C ATOM 159 C VAL A 10 -7.431 -9.369 0.705 1.00 0.20 C ATOM 160 O VAL A 10 -8.466 -9.919 0.339 1.00 0.24 O ATOM 161 CB VAL A 10 -7.724 -7.215 1.993 1.00 0.18 C ATOM 162 CG1 VAL A 10 -7.236 -8.013 3.189 1.00 0.20 C ATOM 163 CG2 VAL A 10 -7.225 -5.787 2.093 1.00 0.18 C ATOM 0 H VAL A 10 -8.694 -6.561 -0.195 1.00 0.16 H new ATOM 0 HA VAL A 10 -6.224 -7.623 0.484 1.00 0.18 H new ATOM 0 HB VAL A 10 -8.814 -7.225 2.008 1.00 0.18 H new ATOM 0 HG11 VAL A 10 -7.571 -7.533 4.108 1.00 0.20 H new ATOM 0 HG12 VAL A 10 -7.639 -9.025 3.140 1.00 0.20 H new ATOM 0 HG13 VAL A 10 -6.147 -8.055 3.178 1.00 0.20 H new ATOM 0 HG21 VAL A 10 -7.545 -5.355 3.041 1.00 0.18 H new ATOM 0 HG22 VAL A 10 -6.136 -5.777 2.039 1.00 0.18 H new ATOM 0 HG23 VAL A 10 -7.634 -5.200 1.271 1.00 0.18 H new ATOM 173 N ASP A 11 -6.366 -10.024 1.137 1.00 0.17 N ATOM 174 CA ASP A 11 -6.349 -11.464 1.329 1.00 0.21 C ATOM 175 C ASP A 11 -7.352 -11.850 2.409 1.00 0.22 C ATOM 176 O ASP A 11 -8.450 -12.317 2.112 1.00 0.24 O ATOM 177 CB ASP A 11 -4.933 -11.904 1.724 1.00 0.24 C ATOM 178 CG ASP A 11 -4.782 -13.402 1.882 1.00 0.58 C ATOM 179 OD1 ASP A 11 -4.541 -14.088 0.869 1.00 1.30 O ATOM 180 OD2 ASP A 11 -4.869 -13.897 3.027 1.00 1.31 O ATOM 0 H ASP A 11 -5.483 -9.568 1.366 1.00 0.17 H new ATOM 0 HA ASP A 11 -6.630 -11.965 0.403 1.00 0.21 H new ATOM 0 HB2 ASP A 11 -4.230 -11.555 0.968 1.00 0.24 H new ATOM 0 HB3 ASP A 11 -4.660 -11.420 2.661 1.00 0.24 H new ATOM 185 N GLU A 12 -6.959 -11.638 3.662 1.00 0.23 N ATOM 186 CA GLU A 12 -7.842 -11.811 4.815 1.00 0.25 C ATOM 187 C GLU A 12 -7.363 -10.911 5.943 1.00 0.26 C ATOM 188 O GLU A 12 -8.147 -10.219 6.591 1.00 0.30 O ATOM 189 CB GLU A 12 -7.843 -13.261 5.322 1.00 0.29 C ATOM 190 CG GLU A 12 -8.187 -14.298 4.271 1.00 0.33 C ATOM 191 CD GLU A 12 -8.419 -15.668 4.861 1.00 0.40 C ATOM 192 OE1 GLU A 12 -7.429 -16.379 5.130 1.00 1.10 O ATOM 193 OE2 GLU A 12 -9.595 -16.045 5.050 1.00 1.23 O ATOM 0 H GLU A 12 -6.015 -11.340 3.909 1.00 0.23 H new ATOM 0 HA GLU A 12 -8.854 -11.553 4.502 1.00 0.25 H new ATOM 0 HB2 GLU A 12 -6.859 -13.490 5.730 1.00 0.29 H new ATOM 0 HB3 GLU A 12 -8.556 -13.344 6.143 1.00 0.29 H new ATOM 0 HG2 GLU A 12 -9.081 -13.982 3.733 1.00 0.33 H new ATOM 0 HG3 GLU A 12 -7.379 -14.353 3.542 1.00 0.33 H new ATOM 200 N LEU A 13 -6.054 -10.935 6.161 1.00 0.26 N ATOM 201 CA LEU A 13 -5.424 -10.186 7.242 1.00 0.27 C ATOM 202 C LEU A 13 -5.206 -8.736 6.839 1.00 0.26 C ATOM 203 O LEU A 13 -5.168 -7.838 7.678 1.00 0.41 O ATOM 204 CB LEU A 13 -4.064 -10.802 7.596 1.00 0.30 C ATOM 205 CG LEU A 13 -4.017 -12.330 7.686 1.00 0.31 C ATOM 206 CD1 LEU A 13 -3.789 -12.941 6.310 1.00 0.85 C ATOM 207 CD2 LEU A 13 -2.934 -12.771 8.657 1.00 0.72 C ATOM 0 H LEU A 13 -5.399 -11.474 5.594 1.00 0.26 H new ATOM 0 HA LEU A 13 -6.089 -10.229 8.105 1.00 0.27 H new ATOM 0 HB2 LEU A 13 -3.337 -10.480 6.850 1.00 0.30 H new ATOM 0 HB3 LEU A 13 -3.741 -10.392 8.553 1.00 0.30 H new ATOM 0 HG LEU A 13 -4.978 -12.684 8.060 1.00 0.31 H new ATOM 0 HD11 LEU A 13 -3.759 -14.027 6.395 1.00 0.85 H new ATOM 0 HD12 LEU A 13 -4.602 -12.652 5.644 1.00 0.85 H new ATOM 0 HD13 LEU A 13 -2.843 -12.582 5.905 1.00 0.85 H new ATOM 0 HD21 LEU A 13 -2.914 -13.860 8.710 1.00 0.72 H new ATOM 0 HD22 LEU A 13 -1.966 -12.406 8.313 1.00 0.72 H new ATOM 0 HD23 LEU A 13 -3.144 -12.364 9.646 1.00 0.72 H new ATOM 219 N GLY A 14 -5.057 -8.519 5.544 1.00 0.17 N ATOM 220 CA GLY A 14 -4.719 -7.204 5.044 1.00 0.16 C ATOM 221 C GLY A 14 -3.740 -7.281 3.892 1.00 0.12 C ATOM 222 O GLY A 14 -3.493 -6.295 3.210 1.00 0.12 O ATOM 0 H GLY A 14 -5.165 -9.234 4.825 1.00 0.17 H new ATOM 0 HA2 GLY A 14 -5.626 -6.694 4.718 1.00 0.16 H new ATOM 0 HA3 GLY A 14 -4.289 -6.608 5.849 1.00 0.16 H new ATOM 226 N ARG A 15 -3.181 -8.469 3.681 1.00 0.12 N ATOM 227 CA ARG A 15 -2.216 -8.693 2.608 1.00 0.11 C ATOM 228 C ARG A 15 -2.842 -8.420 1.244 1.00 0.10 C ATOM 229 O ARG A 15 -3.940 -8.885 0.963 1.00 0.14 O ATOM 230 CB ARG A 15 -1.710 -10.139 2.637 1.00 0.15 C ATOM 231 CG ARG A 15 -1.342 -10.641 4.021 1.00 0.25 C ATOM 232 CD ARG A 15 -0.781 -12.053 3.965 1.00 0.40 C ATOM 233 NE ARG A 15 0.411 -12.151 3.120 1.00 1.45 N ATOM 234 CZ ARG A 15 0.708 -13.224 2.383 1.00 1.87 C ATOM 235 NH1 ARG A 15 -0.130 -14.255 2.342 1.00 1.51 N ATOM 236 NH2 ARG A 15 1.834 -13.263 1.681 1.00 3.03 N ATOM 0 H ARG A 15 -3.381 -9.297 4.243 1.00 0.12 H new ATOM 0 HA ARG A 15 -1.384 -8.007 2.766 1.00 0.11 H new ATOM 0 HB2 ARG A 15 -2.478 -10.790 2.219 1.00 0.15 H new ATOM 0 HB3 ARG A 15 -0.837 -10.220 1.989 1.00 0.15 H new ATOM 0 HG2 ARG A 15 -0.607 -9.973 4.469 1.00 0.25 H new ATOM 0 HG3 ARG A 15 -2.223 -10.622 4.663 1.00 0.25 H new ATOM 0 HD2 ARG A 15 -0.535 -12.383 4.974 1.00 0.40 H new ATOM 0 HD3 ARG A 15 -1.547 -12.730 3.587 1.00 0.40 H new ATOM 0 HE ARG A 15 1.049 -11.356 3.093 1.00 1.45 H new ATOM 0 HH11 ARG A 15 -1.000 -14.226 2.874 1.00 1.51 H new ATOM 0 HH12 ARG A 15 0.097 -15.075 1.779 1.00 1.51 H new ATOM 0 HH21 ARG A 15 2.477 -12.471 1.703 1.00 3.03 H new ATOM 0 HH22 ARG A 15 2.057 -14.085 1.119 1.00 3.03 H new ATOM 250 N ILE A 16 -2.152 -7.658 0.406 1.00 0.09 N ATOM 251 CA ILE A 16 -2.600 -7.432 -0.964 1.00 0.09 C ATOM 252 C ILE A 16 -1.388 -7.482 -1.889 1.00 0.10 C ATOM 253 O ILE A 16 -0.259 -7.652 -1.427 1.00 0.12 O ATOM 254 CB ILE A 16 -3.356 -6.081 -1.157 1.00 0.10 C ATOM 255 CG1 ILE A 16 -2.389 -4.942 -1.495 1.00 0.11 C ATOM 256 CG2 ILE A 16 -4.181 -5.728 0.074 1.00 0.13 C ATOM 257 CD1 ILE A 16 -3.032 -3.571 -1.486 1.00 0.13 C ATOM 0 H ILE A 16 -1.281 -7.186 0.649 1.00 0.09 H new ATOM 0 HA ILE A 16 -3.315 -8.218 -1.206 1.00 0.09 H new ATOM 0 HB ILE A 16 -4.036 -6.210 -1.999 1.00 0.10 H new ATOM 0 HG12 ILE A 16 -1.567 -4.952 -0.780 1.00 0.11 H new ATOM 0 HG13 ILE A 16 -1.958 -5.124 -2.479 1.00 0.11 H new ATOM 0 HG21 ILE A 16 -4.696 -4.782 -0.092 1.00 0.13 H new ATOM 0 HG22 ILE A 16 -4.915 -6.513 0.257 1.00 0.13 H new ATOM 0 HG23 ILE A 16 -3.524 -5.637 0.939 1.00 0.13 H new ATOM 0 HD11 ILE A 16 -2.285 -2.817 -1.734 1.00 0.13 H new ATOM 0 HD12 ILE A 16 -3.836 -3.541 -2.222 1.00 0.13 H new ATOM 0 HD13 ILE A 16 -3.439 -3.366 -0.496 1.00 0.13 H new ATOM 269 N VAL A 17 -1.606 -7.326 -3.180 1.00 0.10 N ATOM 270 CA VAL A 17 -0.512 -7.389 -4.132 1.00 0.11 C ATOM 271 C VAL A 17 -0.174 -6.006 -4.688 1.00 0.12 C ATOM 272 O VAL A 17 -0.943 -5.411 -5.443 1.00 0.19 O ATOM 273 CB VAL A 17 -0.799 -8.394 -5.277 1.00 0.15 C ATOM 274 CG1 VAL A 17 -2.187 -8.194 -5.867 1.00 0.19 C ATOM 275 CG2 VAL A 17 0.266 -8.300 -6.362 1.00 0.17 C ATOM 0 H VAL A 17 -2.523 -7.156 -3.593 1.00 0.10 H new ATOM 0 HA VAL A 17 0.360 -7.754 -3.589 1.00 0.11 H new ATOM 0 HB VAL A 17 -0.766 -9.395 -4.847 1.00 0.15 H new ATOM 0 HG11 VAL A 17 -2.350 -8.917 -6.666 1.00 0.19 H new ATOM 0 HG12 VAL A 17 -2.937 -8.337 -5.089 1.00 0.19 H new ATOM 0 HG13 VAL A 17 -2.269 -7.184 -6.269 1.00 0.19 H new ATOM 0 HG21 VAL A 17 0.043 -9.015 -7.154 1.00 0.17 H new ATOM 0 HG22 VAL A 17 0.276 -7.292 -6.775 1.00 0.17 H new ATOM 0 HG23 VAL A 17 1.243 -8.526 -5.934 1.00 0.17 H new ATOM 285 N MET A 18 0.977 -5.491 -4.277 1.00 0.11 N ATOM 286 CA MET A 18 1.479 -4.228 -4.798 1.00 0.12 C ATOM 287 C MET A 18 2.034 -4.446 -6.197 1.00 0.11 C ATOM 288 O MET A 18 2.445 -5.558 -6.535 1.00 0.13 O ATOM 289 CB MET A 18 2.553 -3.649 -3.881 1.00 0.15 C ATOM 290 CG MET A 18 1.974 -3.026 -2.633 1.00 0.28 C ATOM 291 SD MET A 18 0.916 -1.623 -3.015 1.00 0.84 S ATOM 292 CE MET A 18 -0.094 -1.578 -1.545 1.00 0.80 C ATOM 0 H MET A 18 1.581 -5.930 -3.583 1.00 0.11 H new ATOM 0 HA MET A 18 0.658 -3.512 -4.842 1.00 0.12 H new ATOM 0 HB2 MET A 18 3.250 -4.438 -3.599 1.00 0.15 H new ATOM 0 HB3 MET A 18 3.125 -2.898 -4.426 1.00 0.15 H new ATOM 0 HG2 MET A 18 1.401 -3.774 -2.085 1.00 0.28 H new ATOM 0 HG3 MET A 18 2.784 -2.703 -1.979 1.00 0.28 H new ATOM 0 HE1 MET A 18 -1.085 -1.200 -1.796 1.00 0.80 H new ATOM 0 HE2 MET A 18 -0.183 -2.583 -1.133 1.00 0.80 H new ATOM 0 HE3 MET A 18 0.368 -0.923 -0.806 1.00 0.80 H new ATOM 302 N PRO A 19 2.052 -3.408 -7.040 1.00 0.12 N ATOM 303 CA PRO A 19 2.453 -3.559 -8.426 1.00 0.13 C ATOM 304 C PRO A 19 3.966 -3.518 -8.621 1.00 0.13 C ATOM 305 O PRO A 19 4.710 -2.931 -7.820 1.00 0.13 O ATOM 306 CB PRO A 19 1.780 -2.368 -9.109 1.00 0.15 C ATOM 307 CG PRO A 19 1.696 -1.312 -8.059 1.00 0.16 C ATOM 308 CD PRO A 19 1.696 -2.013 -6.719 1.00 0.15 C ATOM 0 HA PRO A 19 2.160 -4.528 -8.831 1.00 0.13 H new ATOM 0 HB2 PRO A 19 2.360 -2.026 -9.966 1.00 0.15 H new ATOM 0 HB3 PRO A 19 0.790 -2.634 -9.480 1.00 0.15 H new ATOM 0 HG2 PRO A 19 2.540 -0.626 -8.135 1.00 0.16 H new ATOM 0 HG3 PRO A 19 0.791 -0.718 -8.182 1.00 0.16 H new ATOM 0 HD2 PRO A 19 2.417 -1.565 -6.035 1.00 0.15 H new ATOM 0 HD3 PRO A 19 0.720 -1.952 -6.238 1.00 0.15 H new ATOM 316 N ILE A 20 4.422 -4.150 -9.694 1.00 0.15 N ATOM 317 CA ILE A 20 5.814 -4.050 -10.105 1.00 0.16 C ATOM 318 C ILE A 20 6.194 -2.585 -10.266 1.00 0.16 C ATOM 319 O ILE A 20 7.320 -2.191 -9.998 1.00 0.16 O ATOM 320 CB ILE A 20 6.057 -4.808 -11.431 1.00 0.20 C ATOM 321 CG1 ILE A 20 7.460 -4.533 -11.990 1.00 0.24 C ATOM 322 CG2 ILE A 20 4.988 -4.449 -12.456 1.00 0.22 C ATOM 323 CD1 ILE A 20 8.584 -5.088 -11.141 1.00 0.26 C ATOM 0 H ILE A 20 3.846 -4.738 -10.296 1.00 0.15 H new ATOM 0 HA ILE A 20 6.436 -4.507 -9.335 1.00 0.16 H new ATOM 0 HB ILE A 20 5.992 -5.875 -11.219 1.00 0.20 H new ATOM 0 HG12 ILE A 20 7.531 -4.959 -12.991 1.00 0.24 H new ATOM 0 HG13 ILE A 20 7.594 -3.456 -12.092 1.00 0.24 H new ATOM 0 HG21 ILE A 20 5.175 -4.992 -13.382 1.00 0.22 H new ATOM 0 HG22 ILE A 20 4.006 -4.721 -12.068 1.00 0.22 H new ATOM 0 HG23 ILE A 20 5.017 -3.377 -12.651 1.00 0.22 H new ATOM 0 HD11 ILE A 20 9.541 -4.851 -11.605 1.00 0.26 H new ATOM 0 HD12 ILE A 20 8.543 -4.643 -10.147 1.00 0.26 H new ATOM 0 HD13 ILE A 20 8.478 -6.170 -11.059 1.00 0.26 H new ATOM 335 N GLU A 21 5.217 -1.784 -10.662 1.00 0.16 N ATOM 336 CA GLU A 21 5.391 -0.350 -10.831 1.00 0.17 C ATOM 337 C GLU A 21 5.786 0.305 -9.514 1.00 0.16 C ATOM 338 O GLU A 21 6.479 1.310 -9.501 1.00 0.19 O ATOM 339 CB GLU A 21 4.089 0.249 -11.349 1.00 0.18 C ATOM 340 CG GLU A 21 3.448 -0.598 -12.436 1.00 0.21 C ATOM 341 CD GLU A 21 4.260 -0.624 -13.714 1.00 0.28 C ATOM 342 OE1 GLU A 21 5.192 -1.450 -13.819 1.00 1.03 O ATOM 343 OE2 GLU A 21 3.966 0.171 -14.624 1.00 1.08 O ATOM 0 H GLU A 21 4.276 -2.113 -10.876 1.00 0.16 H new ATOM 0 HA GLU A 21 6.191 -0.168 -11.549 1.00 0.17 H new ATOM 0 HB2 GLU A 21 3.390 0.360 -10.520 1.00 0.18 H new ATOM 0 HB3 GLU A 21 4.283 1.248 -11.739 1.00 0.18 H new ATOM 0 HG2 GLU A 21 3.322 -1.617 -12.070 1.00 0.21 H new ATOM 0 HG3 GLU A 21 2.452 -0.212 -12.651 1.00 0.21 H new ATOM 350 N LEU A 22 5.366 -0.294 -8.407 1.00 0.14 N ATOM 351 CA LEU A 22 5.732 0.195 -7.090 1.00 0.15 C ATOM 352 C LEU A 22 7.151 -0.232 -6.789 1.00 0.15 C ATOM 353 O LEU A 22 7.945 0.527 -6.232 1.00 0.17 O ATOM 354 CB LEU A 22 4.758 -0.345 -6.031 1.00 0.18 C ATOM 355 CG LEU A 22 5.376 -0.715 -4.676 1.00 0.15 C ATOM 356 CD1 LEU A 22 4.428 -0.363 -3.547 1.00 0.19 C ATOM 357 CD2 LEU A 22 5.700 -2.203 -4.629 1.00 0.20 C ATOM 0 H LEU A 22 4.770 -1.122 -8.398 1.00 0.14 H new ATOM 0 HA LEU A 22 5.673 1.283 -7.069 1.00 0.15 H new ATOM 0 HB2 LEU A 22 3.984 0.404 -5.863 1.00 0.18 H new ATOM 0 HB3 LEU A 22 4.265 -1.228 -6.436 1.00 0.18 H new ATOM 0 HG LEU A 22 6.298 -0.146 -4.555 1.00 0.15 H new ATOM 0 HD11 LEU A 22 4.882 -0.632 -2.593 1.00 0.19 H new ATOM 0 HD12 LEU A 22 4.225 0.708 -3.563 1.00 0.19 H new ATOM 0 HD13 LEU A 22 3.494 -0.911 -3.672 1.00 0.19 H new ATOM 0 HD21 LEU A 22 6.138 -2.450 -3.662 1.00 0.20 H new ATOM 0 HD22 LEU A 22 4.786 -2.779 -4.771 1.00 0.20 H new ATOM 0 HD23 LEU A 22 6.409 -2.446 -5.421 1.00 0.20 H new ATOM 369 N ARG A 23 7.467 -1.455 -7.187 1.00 0.13 N ATOM 370 CA ARG A 23 8.823 -1.972 -7.027 1.00 0.16 C ATOM 371 C ARG A 23 9.801 -1.172 -7.881 1.00 0.20 C ATOM 372 O ARG A 23 10.976 -1.027 -7.536 1.00 0.25 O ATOM 373 CB ARG A 23 8.902 -3.458 -7.395 1.00 0.18 C ATOM 374 CG ARG A 23 8.013 -4.344 -6.539 1.00 0.17 C ATOM 375 CD ARG A 23 8.358 -5.823 -6.701 1.00 0.24 C ATOM 376 NE ARG A 23 7.728 -6.445 -7.868 1.00 0.69 N ATOM 377 CZ ARG A 23 8.285 -7.437 -8.575 1.00 0.53 C ATOM 378 NH1 ARG A 23 9.538 -7.811 -8.336 1.00 0.46 N ATOM 379 NH2 ARG A 23 7.592 -8.037 -9.538 1.00 1.05 N ATOM 0 H ARG A 23 6.811 -2.105 -7.620 1.00 0.13 H new ATOM 0 HA ARG A 23 9.095 -1.867 -5.977 1.00 0.16 H new ATOM 0 HB2 ARG A 23 8.623 -3.580 -8.442 1.00 0.18 H new ATOM 0 HB3 ARG A 23 9.935 -3.793 -7.300 1.00 0.18 H new ATOM 0 HG2 ARG A 23 8.117 -4.059 -5.492 1.00 0.17 H new ATOM 0 HG3 ARG A 23 6.970 -4.183 -6.811 1.00 0.17 H new ATOM 0 HD2 ARG A 23 9.440 -5.929 -6.782 1.00 0.24 H new ATOM 0 HD3 ARG A 23 8.052 -6.360 -5.803 1.00 0.24 H new ATOM 0 HE ARG A 23 6.812 -6.103 -8.159 1.00 0.69 H new ATOM 0 HH11 ARG A 23 10.081 -7.342 -7.611 1.00 0.46 H new ATOM 0 HH12 ARG A 23 9.957 -8.567 -8.878 1.00 0.46 H new ATOM 0 HH21 ARG A 23 6.636 -7.742 -9.738 1.00 1.05 H new ATOM 0 HH22 ARG A 23 8.016 -8.792 -10.077 1.00 1.05 H new ATOM 393 N ARG A 24 9.286 -0.641 -8.978 1.00 0.18 N ATOM 394 CA ARG A 24 10.064 0.147 -9.919 1.00 0.21 C ATOM 395 C ARG A 24 10.152 1.588 -9.450 1.00 0.23 C ATOM 396 O ARG A 24 11.193 2.236 -9.573 1.00 0.27 O ATOM 397 CB ARG A 24 9.408 0.090 -11.298 1.00 0.22 C ATOM 398 CG ARG A 24 9.467 -1.282 -11.945 1.00 0.23 C ATOM 399 CD ARG A 24 8.629 -1.331 -13.214 1.00 0.25 C ATOM 400 NE ARG A 24 9.100 -0.386 -14.227 1.00 0.35 N ATOM 401 CZ ARG A 24 8.351 0.072 -15.229 1.00 0.47 C ATOM 402 NH1 ARG A 24 7.072 -0.266 -15.325 1.00 0.41 N ATOM 403 NH2 ARG A 24 8.881 0.890 -16.129 1.00 0.71 N ATOM 0 H ARG A 24 8.307 -0.746 -9.242 1.00 0.18 H new ATOM 0 HA ARG A 24 11.072 -0.264 -9.979 1.00 0.21 H new ATOM 0 HB2 ARG A 24 8.365 0.395 -11.208 1.00 0.22 H new ATOM 0 HB3 ARG A 24 9.896 0.812 -11.953 1.00 0.22 H new ATOM 0 HG2 ARG A 24 10.502 -1.531 -12.180 1.00 0.23 H new ATOM 0 HG3 ARG A 24 9.110 -2.034 -11.241 1.00 0.23 H new ATOM 0 HD2 ARG A 24 8.652 -2.341 -13.624 1.00 0.25 H new ATOM 0 HD3 ARG A 24 7.590 -1.110 -12.969 1.00 0.25 H new ATOM 0 HE ARG A 24 10.063 -0.057 -14.162 1.00 0.35 H new ATOM 0 HH11 ARG A 24 6.654 -0.882 -14.628 1.00 0.41 H new ATOM 0 HH12 ARG A 24 6.507 0.090 -16.096 1.00 0.41 H new ATOM 0 HH21 ARG A 24 9.860 1.167 -16.053 1.00 0.71 H new ATOM 0 HH22 ARG A 24 8.310 1.242 -16.897 1.00 0.71 H new ATOM 417 N ALA A 25 9.046 2.074 -8.901 1.00 0.21 N ATOM 418 CA ALA A 25 8.948 3.449 -8.433 1.00 0.23 C ATOM 419 C ALA A 25 9.880 3.679 -7.263 1.00 0.25 C ATOM 420 O ALA A 25 10.600 4.673 -7.202 1.00 0.26 O ATOM 421 CB ALA A 25 7.518 3.769 -8.027 1.00 0.23 C ATOM 0 H ALA A 25 8.195 1.528 -8.768 1.00 0.21 H new ATOM 0 HA ALA A 25 9.240 4.110 -9.249 1.00 0.23 H new ATOM 0 HB1 ALA A 25 7.461 4.800 -7.679 1.00 0.23 H new ATOM 0 HB2 ALA A 25 6.858 3.638 -8.885 1.00 0.23 H new ATOM 0 HB3 ALA A 25 7.209 3.098 -7.225 1.00 0.23 H new ATOM 427 N LEU A 26 9.870 2.732 -6.347 1.00 0.30 N ATOM 428 CA LEU A 26 10.644 2.842 -5.132 1.00 0.36 C ATOM 429 C LEU A 26 12.059 2.302 -5.317 1.00 0.39 C ATOM 430 O LEU A 26 12.947 3.014 -5.790 1.00 0.52 O ATOM 431 CB LEU A 26 9.928 2.106 -3.998 1.00 0.33 C ATOM 432 CG LEU A 26 8.613 2.736 -3.538 1.00 0.37 C ATOM 433 CD1 LEU A 26 7.883 1.809 -2.579 1.00 0.37 C ATOM 434 CD2 LEU A 26 8.871 4.081 -2.878 1.00 0.47 C ATOM 0 H LEU A 26 9.329 1.871 -6.425 1.00 0.30 H new ATOM 0 HA LEU A 26 10.732 3.898 -4.876 1.00 0.36 H new ATOM 0 HB2 LEU A 26 9.729 1.084 -4.319 1.00 0.33 H new ATOM 0 HB3 LEU A 26 10.602 2.046 -3.143 1.00 0.33 H new ATOM 0 HG LEU A 26 7.983 2.893 -4.414 1.00 0.37 H new ATOM 0 HD11 LEU A 26 6.950 2.275 -2.263 1.00 0.37 H new ATOM 0 HD12 LEU A 26 7.666 0.865 -3.079 1.00 0.37 H new ATOM 0 HD13 LEU A 26 8.509 1.622 -1.707 1.00 0.37 H new ATOM 0 HD21 LEU A 26 7.925 4.516 -2.556 1.00 0.47 H new ATOM 0 HD22 LEU A 26 9.520 3.943 -2.013 1.00 0.47 H new ATOM 0 HD23 LEU A 26 9.354 4.749 -3.591 1.00 0.47 H new ATOM 446 N ASP A 27 12.252 1.032 -4.983 1.00 0.32 N ATOM 447 CA ASP A 27 13.583 0.427 -4.960 1.00 0.41 C ATOM 448 C ASP A 27 13.465 -1.040 -4.538 1.00 0.35 C ATOM 449 O ASP A 27 14.302 -1.566 -3.814 1.00 0.57 O ATOM 450 CB ASP A 27 14.485 1.214 -3.987 1.00 0.60 C ATOM 451 CG ASP A 27 15.900 0.671 -3.873 1.00 0.85 C ATOM 452 OD1 ASP A 27 16.603 0.593 -4.902 1.00 1.72 O ATOM 453 OD2 ASP A 27 16.316 0.337 -2.740 1.00 1.36 O ATOM 0 H ASP A 27 11.499 0.395 -4.722 1.00 0.32 H new ATOM 0 HA ASP A 27 14.032 0.465 -5.953 1.00 0.41 H new ATOM 0 HB2 ASP A 27 14.532 2.253 -4.312 1.00 0.60 H new ATOM 0 HB3 ASP A 27 14.025 1.210 -2.999 1.00 0.60 H new ATOM 458 N ILE A 28 12.417 -1.705 -5.004 1.00 0.22 N ATOM 459 CA ILE A 28 12.153 -3.081 -4.593 1.00 0.18 C ATOM 460 C ILE A 28 12.625 -4.064 -5.654 1.00 0.22 C ATOM 461 O ILE A 28 12.365 -3.881 -6.846 1.00 0.28 O ATOM 462 CB ILE A 28 10.652 -3.341 -4.290 1.00 0.15 C ATOM 463 CG1 ILE A 28 10.196 -2.613 -3.018 1.00 0.14 C ATOM 464 CG2 ILE A 28 10.385 -4.829 -4.149 1.00 0.16 C ATOM 465 CD1 ILE A 28 10.010 -1.127 -3.187 1.00 0.19 C ATOM 0 H ILE A 28 11.739 -1.320 -5.662 1.00 0.22 H new ATOM 0 HA ILE A 28 12.713 -3.233 -3.670 1.00 0.18 H new ATOM 0 HB ILE A 28 10.081 -2.949 -5.131 1.00 0.15 H new ATOM 0 HG12 ILE A 28 9.256 -3.049 -2.681 1.00 0.14 H new ATOM 0 HG13 ILE A 28 10.929 -2.788 -2.230 1.00 0.14 H new ATOM 0 HG21 ILE A 28 9.328 -4.991 -3.937 1.00 0.16 H new ATOM 0 HG22 ILE A 28 10.651 -5.336 -5.077 1.00 0.16 H new ATOM 0 HG23 ILE A 28 10.984 -5.230 -3.332 1.00 0.16 H new ATOM 0 HD11 ILE A 28 9.687 -0.691 -2.242 1.00 0.19 H new ATOM 0 HD12 ILE A 28 10.954 -0.675 -3.492 1.00 0.19 H new ATOM 0 HD13 ILE A 28 9.254 -0.939 -3.950 1.00 0.19 H new ATOM 477 N ALA A 29 13.312 -5.109 -5.216 1.00 0.21 N ATOM 478 CA ALA A 29 13.809 -6.122 -6.128 1.00 0.25 C ATOM 479 C ALA A 29 12.921 -7.354 -6.097 1.00 0.25 C ATOM 480 O ALA A 29 12.377 -7.772 -7.118 1.00 0.30 O ATOM 481 CB ALA A 29 15.248 -6.487 -5.792 1.00 0.30 C ATOM 0 H ALA A 29 13.536 -5.275 -4.235 1.00 0.21 H new ATOM 0 HA ALA A 29 13.788 -5.713 -7.138 1.00 0.25 H new ATOM 0 HB1 ALA A 29 15.602 -7.248 -6.487 1.00 0.30 H new ATOM 0 HB2 ALA A 29 15.877 -5.600 -5.873 1.00 0.30 H new ATOM 0 HB3 ALA A 29 15.297 -6.874 -4.774 1.00 0.30 H new ATOM 487 N ILE A 30 12.754 -7.914 -4.918 1.00 0.23 N ATOM 488 CA ILE A 30 11.959 -9.122 -4.753 1.00 0.25 C ATOM 489 C ILE A 30 11.217 -9.071 -3.426 1.00 0.22 C ATOM 490 O ILE A 30 10.131 -9.620 -3.288 1.00 0.22 O ATOM 491 CB ILE A 30 12.850 -10.394 -4.857 1.00 0.29 C ATOM 492 CG1 ILE A 30 12.014 -11.691 -4.867 1.00 0.32 C ATOM 493 CG2 ILE A 30 13.887 -10.417 -3.739 1.00 0.30 C ATOM 494 CD1 ILE A 30 11.716 -12.279 -3.501 1.00 0.33 C ATOM 0 H ILE A 30 13.158 -7.554 -4.054 1.00 0.23 H new ATOM 0 HA ILE A 30 11.226 -9.176 -5.558 1.00 0.25 H new ATOM 0 HB ILE A 30 13.373 -10.348 -5.812 1.00 0.29 H new ATOM 0 HG12 ILE A 30 11.069 -11.491 -5.373 1.00 0.32 H new ATOM 0 HG13 ILE A 30 12.541 -12.439 -5.460 1.00 0.32 H new ATOM 0 HG21 ILE A 30 14.500 -11.314 -3.829 1.00 0.30 H new ATOM 0 HG22 ILE A 30 14.522 -9.534 -3.814 1.00 0.30 H new ATOM 0 HG23 ILE A 30 13.381 -10.419 -2.774 1.00 0.30 H new ATOM 0 HD11 ILE A 30 11.124 -13.187 -3.617 1.00 0.33 H new ATOM 0 HD12 ILE A 30 12.652 -12.518 -2.996 1.00 0.33 H new ATOM 0 HD13 ILE A 30 11.157 -11.555 -2.907 1.00 0.33 H new ATOM 506 N LYS A 31 11.815 -8.383 -2.465 1.00 0.21 N ATOM 507 CA LYS A 31 11.213 -8.161 -1.167 1.00 0.19 C ATOM 508 C LYS A 31 11.421 -6.710 -0.766 1.00 0.17 C ATOM 509 O LYS A 31 10.467 -5.964 -0.565 1.00 0.17 O ATOM 510 CB LYS A 31 11.831 -9.090 -0.117 1.00 0.22 C ATOM 511 CG LYS A 31 11.817 -10.555 -0.520 1.00 0.26 C ATOM 512 CD LYS A 31 12.048 -11.474 0.663 1.00 0.35 C ATOM 513 CE LYS A 31 10.888 -11.416 1.639 1.00 0.47 C ATOM 514 NZ LYS A 31 11.047 -12.394 2.745 1.00 1.46 N ATOM 0 H LYS A 31 12.738 -7.962 -2.569 1.00 0.21 H new ATOM 0 HA LYS A 31 10.147 -8.379 -1.226 1.00 0.19 H new ATOM 0 HB2 LYS A 31 12.860 -8.782 0.068 1.00 0.22 H new ATOM 0 HB3 LYS A 31 11.290 -8.975 0.822 1.00 0.22 H new ATOM 0 HG2 LYS A 31 10.859 -10.794 -0.983 1.00 0.26 H new ATOM 0 HG3 LYS A 31 12.587 -10.731 -1.271 1.00 0.26 H new ATOM 0 HD2 LYS A 31 12.180 -12.497 0.311 1.00 0.35 H new ATOM 0 HD3 LYS A 31 12.969 -11.191 1.172 1.00 0.35 H new ATOM 0 HE2 LYS A 31 10.811 -10.410 2.052 1.00 0.47 H new ATOM 0 HE3 LYS A 31 9.957 -11.615 1.109 1.00 0.47 H new ATOM 0 HZ1 LYS A 31 10.234 -12.323 3.390 1.00 1.46 H new ATOM 0 HZ2 LYS A 31 11.095 -13.356 2.353 1.00 1.46 H new ATOM 0 HZ3 LYS A 31 11.923 -12.188 3.267 1.00 1.46 H new ATOM 528 N ASP A 32 12.688 -6.311 -0.731 1.00 0.17 N ATOM 529 CA ASP A 32 13.096 -4.981 -0.284 1.00 0.16 C ATOM 530 C ASP A 32 12.258 -4.459 0.888 1.00 0.17 C ATOM 531 O ASP A 32 12.111 -5.163 1.877 1.00 0.25 O ATOM 532 CB ASP A 32 13.117 -4.029 -1.466 1.00 0.16 C ATOM 533 CG ASP A 32 14.503 -3.965 -2.059 1.00 0.20 C ATOM 534 OD1 ASP A 32 15.350 -3.221 -1.527 1.00 1.18 O ATOM 535 OD2 ASP A 32 14.760 -4.679 -3.044 1.00 1.05 O ATOM 0 H ASP A 32 13.468 -6.905 -1.014 1.00 0.17 H new ATOM 0 HA ASP A 32 14.108 -5.053 0.115 1.00 0.16 H new ATOM 0 HB2 ASP A 32 12.405 -4.360 -2.222 1.00 0.16 H new ATOM 0 HB3 ASP A 32 12.804 -3.035 -1.147 1.00 0.16 H new ATOM 540 N SER A 33 11.703 -3.246 0.786 1.00 0.13 N ATOM 541 CA SER A 33 11.029 -2.623 1.938 1.00 0.13 C ATOM 542 C SER A 33 9.953 -1.632 1.492 1.00 0.14 C ATOM 543 O SER A 33 10.179 -0.845 0.572 1.00 0.18 O ATOM 544 CB SER A 33 12.045 -1.872 2.808 1.00 0.17 C ATOM 545 OG SER A 33 13.172 -2.677 3.114 1.00 0.21 O ATOM 0 H SER A 33 11.704 -2.682 -0.064 1.00 0.13 H new ATOM 0 HA SER A 33 10.561 -3.426 2.507 1.00 0.13 H new ATOM 0 HB2 SER A 33 12.372 -0.971 2.289 1.00 0.17 H new ATOM 0 HB3 SER A 33 11.565 -1.551 3.733 1.00 0.17 H new ATOM 0 HG SER A 33 13.798 -2.166 3.668 1.00 0.21 H new ATOM 551 N ILE A 34 8.788 -1.669 2.145 1.00 0.13 N ATOM 552 CA ILE A 34 7.714 -0.708 1.872 1.00 0.15 C ATOM 553 C ILE A 34 7.054 -0.265 3.182 1.00 0.13 C ATOM 554 O ILE A 34 6.335 -1.038 3.804 1.00 0.14 O ATOM 555 CB ILE A 34 6.609 -1.283 0.950 1.00 0.20 C ATOM 556 CG1 ILE A 34 7.184 -1.884 -0.339 1.00 0.19 C ATOM 557 CG2 ILE A 34 5.603 -0.197 0.611 1.00 0.28 C ATOM 558 CD1 ILE A 34 7.685 -3.304 -0.179 1.00 0.19 C ATOM 0 H ILE A 34 8.564 -2.354 2.867 1.00 0.13 H new ATOM 0 HA ILE A 34 8.184 0.133 1.363 1.00 0.15 H new ATOM 0 HB ILE A 34 6.115 -2.089 1.494 1.00 0.20 H new ATOM 0 HG12 ILE A 34 6.416 -1.864 -1.112 1.00 0.19 H new ATOM 0 HG13 ILE A 34 8.004 -1.256 -0.688 1.00 0.19 H new ATOM 0 HG21 ILE A 34 4.829 -0.608 -0.037 1.00 0.28 H new ATOM 0 HG22 ILE A 34 5.148 0.176 1.528 1.00 0.28 H new ATOM 0 HG23 ILE A 34 6.109 0.621 0.098 1.00 0.28 H new ATOM 0 HD11 ILE A 34 8.077 -3.661 -1.131 1.00 0.19 H new ATOM 0 HD12 ILE A 34 8.476 -3.328 0.571 1.00 0.19 H new ATOM 0 HD13 ILE A 34 6.864 -3.946 0.139 1.00 0.19 H new ATOM 570 N GLU A 35 7.306 0.967 3.595 1.00 0.14 N ATOM 571 CA GLU A 35 6.742 1.506 4.833 1.00 0.13 C ATOM 572 C GLU A 35 5.616 2.488 4.511 1.00 0.15 C ATOM 573 O GLU A 35 5.721 3.265 3.565 1.00 0.20 O ATOM 574 CB GLU A 35 7.840 2.207 5.637 1.00 0.16 C ATOM 575 CG GLU A 35 7.368 2.755 6.973 1.00 0.28 C ATOM 576 CD GLU A 35 8.448 3.514 7.717 1.00 0.45 C ATOM 577 OE1 GLU A 35 9.105 4.381 7.102 1.00 1.31 O ATOM 578 OE2 GLU A 35 8.621 3.270 8.929 1.00 1.08 O ATOM 0 H GLU A 35 7.903 1.622 3.089 1.00 0.14 H new ATOM 0 HA GLU A 35 6.333 0.688 5.427 1.00 0.13 H new ATOM 0 HB2 GLU A 35 8.655 1.504 5.811 1.00 0.16 H new ATOM 0 HB3 GLU A 35 8.246 3.025 5.042 1.00 0.16 H new ATOM 0 HG2 GLU A 35 6.516 3.415 6.808 1.00 0.28 H new ATOM 0 HG3 GLU A 35 7.017 1.931 7.594 1.00 0.28 H new ATOM 585 N PHE A 36 4.542 2.464 5.293 1.00 0.16 N ATOM 586 CA PHE A 36 3.368 3.282 4.975 1.00 0.17 C ATOM 587 C PHE A 36 2.967 4.237 6.099 1.00 0.18 C ATOM 588 O PHE A 36 3.228 4.000 7.280 1.00 0.19 O ATOM 589 CB PHE A 36 2.170 2.410 4.569 1.00 0.20 C ATOM 590 CG PHE A 36 2.314 0.956 4.901 1.00 0.17 C ATOM 591 CD1 PHE A 36 3.120 0.134 4.133 1.00 1.25 C ATOM 592 CD2 PHE A 36 1.636 0.413 5.971 1.00 1.16 C ATOM 593 CE1 PHE A 36 3.246 -1.203 4.435 1.00 1.33 C ATOM 594 CE2 PHE A 36 1.755 -0.924 6.274 1.00 1.13 C ATOM 595 CZ PHE A 36 2.559 -1.732 5.508 1.00 0.41 C ATOM 0 H PHE A 36 4.456 1.899 6.138 1.00 0.16 H new ATOM 0 HA PHE A 36 3.665 3.899 4.127 1.00 0.17 H new ATOM 0 HB2 PHE A 36 1.276 2.794 5.059 1.00 0.20 H new ATOM 0 HB3 PHE A 36 2.012 2.510 3.495 1.00 0.20 H new ATOM 0 HD1 PHE A 36 3.655 0.545 3.289 1.00 1.25 H new ATOM 0 HD2 PHE A 36 1.004 1.044 6.579 1.00 1.16 H new ATOM 0 HE1 PHE A 36 3.881 -1.836 3.833 1.00 1.33 H new ATOM 0 HE2 PHE A 36 1.216 -1.338 7.114 1.00 1.13 H new ATOM 0 HZ PHE A 36 2.653 -2.781 5.746 1.00 0.41 H new ATOM 605 N PHE A 37 2.320 5.322 5.684 1.00 0.21 N ATOM 606 CA PHE A 37 1.849 6.386 6.568 1.00 0.25 C ATOM 607 C PHE A 37 0.363 6.586 6.341 1.00 0.32 C ATOM 608 O PHE A 37 -0.057 6.817 5.217 1.00 0.65 O ATOM 609 CB PHE A 37 2.596 7.687 6.230 1.00 0.36 C ATOM 610 CG PHE A 37 2.217 8.893 7.057 1.00 0.76 C ATOM 611 CD1 PHE A 37 1.084 9.635 6.757 1.00 1.71 C ATOM 612 CD2 PHE A 37 3.008 9.296 8.119 1.00 1.41 C ATOM 613 CE1 PHE A 37 0.747 10.748 7.505 1.00 2.22 C ATOM 614 CE2 PHE A 37 2.676 10.408 8.871 1.00 1.87 C ATOM 615 CZ PHE A 37 1.545 11.135 8.563 1.00 2.02 C ATOM 0 H PHE A 37 2.103 5.491 4.702 1.00 0.21 H new ATOM 0 HA PHE A 37 2.033 6.119 7.609 1.00 0.25 H new ATOM 0 HB2 PHE A 37 3.665 7.511 6.346 1.00 0.36 H new ATOM 0 HB3 PHE A 37 2.424 7.921 5.179 1.00 0.36 H new ATOM 0 HD1 PHE A 37 0.457 9.340 5.929 1.00 1.71 H new ATOM 0 HD2 PHE A 37 3.897 8.734 8.364 1.00 1.41 H new ATOM 0 HE1 PHE A 37 -0.140 11.314 7.262 1.00 2.22 H new ATOM 0 HE2 PHE A 37 3.302 10.707 9.699 1.00 1.87 H new ATOM 0 HZ PHE A 37 1.284 12.005 9.148 1.00 2.02 H new ATOM 625 N VAL A 38 -0.436 6.492 7.379 1.00 0.20 N ATOM 626 CA VAL A 38 -1.855 6.729 7.218 1.00 0.18 C ATOM 627 C VAL A 38 -2.197 8.179 7.524 1.00 0.18 C ATOM 628 O VAL A 38 -1.723 8.755 8.503 1.00 0.23 O ATOM 629 CB VAL A 38 -2.715 5.770 8.067 1.00 0.21 C ATOM 630 CG1 VAL A 38 -2.296 5.790 9.530 1.00 0.27 C ATOM 631 CG2 VAL A 38 -4.194 6.107 7.927 1.00 0.23 C ATOM 0 H VAL A 38 -0.138 6.258 8.326 1.00 0.20 H new ATOM 0 HA VAL A 38 -2.094 6.526 6.174 1.00 0.18 H new ATOM 0 HB VAL A 38 -2.552 4.760 7.691 1.00 0.21 H new ATOM 0 HG11 VAL A 38 -2.923 5.103 10.098 1.00 0.27 H new ATOM 0 HG12 VAL A 38 -1.253 5.483 9.614 1.00 0.27 H new ATOM 0 HG13 VAL A 38 -2.411 6.798 9.928 1.00 0.27 H new ATOM 0 HG21 VAL A 38 -4.783 5.419 8.534 1.00 0.23 H new ATOM 0 HG22 VAL A 38 -4.368 7.129 8.265 1.00 0.23 H new ATOM 0 HG23 VAL A 38 -4.491 6.015 6.882 1.00 0.23 H new ATOM 641 N ASP A 39 -3.003 8.763 6.660 1.00 0.17 N ATOM 642 CA ASP A 39 -3.378 10.160 6.771 1.00 0.21 C ATOM 643 C ASP A 39 -4.878 10.303 6.600 1.00 0.23 C ATOM 644 O ASP A 39 -5.400 10.172 5.491 1.00 0.25 O ATOM 645 CB ASP A 39 -2.645 11.003 5.729 1.00 0.25 C ATOM 646 CG ASP A 39 -3.034 12.465 5.796 1.00 0.30 C ATOM 647 OD1 ASP A 39 -2.683 13.130 6.793 1.00 1.16 O ATOM 648 OD2 ASP A 39 -3.677 12.957 4.849 1.00 1.13 O ATOM 0 H ASP A 39 -3.417 8.283 5.861 1.00 0.17 H new ATOM 0 HA ASP A 39 -3.093 10.520 7.760 1.00 0.21 H new ATOM 0 HB2 ASP A 39 -1.570 10.908 5.879 1.00 0.25 H new ATOM 0 HB3 ASP A 39 -2.863 10.616 4.733 1.00 0.25 H new ATOM 653 N GLY A 40 -5.572 10.537 7.703 1.00 0.26 N ATOM 654 CA GLY A 40 -7.016 10.590 7.670 1.00 0.31 C ATOM 655 C GLY A 40 -7.608 9.214 7.470 1.00 0.27 C ATOM 656 O GLY A 40 -7.888 8.499 8.436 1.00 0.32 O ATOM 0 H GLY A 40 -5.158 10.691 8.623 1.00 0.26 H new ATOM 0 HA2 GLY A 40 -7.388 11.017 8.601 1.00 0.31 H new ATOM 0 HA3 GLY A 40 -7.340 11.249 6.865 1.00 0.31 H new ATOM 660 N ASP A 41 -7.773 8.835 6.215 1.00 0.25 N ATOM 661 CA ASP A 41 -8.254 7.508 5.865 1.00 0.25 C ATOM 662 C ASP A 41 -7.304 6.871 4.859 1.00 0.22 C ATOM 663 O ASP A 41 -7.397 5.690 4.555 1.00 0.30 O ATOM 664 CB ASP A 41 -9.662 7.580 5.258 1.00 0.36 C ATOM 665 CG ASP A 41 -10.671 8.249 6.168 1.00 1.20 C ATOM 666 OD1 ASP A 41 -11.227 7.570 7.055 1.00 2.00 O ATOM 667 OD2 ASP A 41 -10.918 9.462 5.995 1.00 1.84 O ATOM 0 H ASP A 41 -7.579 9.434 5.413 1.00 0.25 H new ATOM 0 HA ASP A 41 -8.295 6.906 6.772 1.00 0.25 H new ATOM 0 HB2 ASP A 41 -9.616 8.124 4.315 1.00 0.36 H new ATOM 0 HB3 ASP A 41 -10.003 6.571 5.028 1.00 0.36 H new ATOM 672 N LYS A 42 -6.361 7.669 4.383 1.00 0.21 N ATOM 673 CA LYS A 42 -5.516 7.304 3.258 1.00 0.24 C ATOM 674 C LYS A 42 -4.217 6.656 3.727 1.00 0.17 C ATOM 675 O LYS A 42 -3.784 6.874 4.852 1.00 0.17 O ATOM 676 CB LYS A 42 -5.220 8.572 2.449 1.00 0.36 C ATOM 677 CG LYS A 42 -3.936 8.525 1.639 1.00 0.31 C ATOM 678 CD LYS A 42 -3.659 9.862 0.977 1.00 0.31 C ATOM 679 CE LYS A 42 -3.453 10.956 2.013 1.00 0.73 C ATOM 680 NZ LYS A 42 -3.383 12.307 1.401 1.00 1.05 N ATOM 0 H LYS A 42 -6.160 8.592 4.768 1.00 0.21 H new ATOM 0 HA LYS A 42 -6.035 6.572 2.638 1.00 0.24 H new ATOM 0 HB2 LYS A 42 -6.054 8.757 1.772 1.00 0.36 H new ATOM 0 HB3 LYS A 42 -5.171 9.419 3.133 1.00 0.36 H new ATOM 0 HG2 LYS A 42 -3.102 8.257 2.288 1.00 0.31 H new ATOM 0 HG3 LYS A 42 -4.010 7.748 0.879 1.00 0.31 H new ATOM 0 HD2 LYS A 42 -2.773 9.782 0.347 1.00 0.31 H new ATOM 0 HD3 LYS A 42 -4.491 10.127 0.325 1.00 0.31 H new ATOM 0 HE2 LYS A 42 -4.270 10.928 2.734 1.00 0.73 H new ATOM 0 HE3 LYS A 42 -2.533 10.762 2.565 1.00 0.73 H new ATOM 0 HZ1 LYS A 42 -3.242 13.019 2.146 1.00 1.05 H new ATOM 0 HZ2 LYS A 42 -2.588 12.344 0.732 1.00 1.05 H new ATOM 0 HZ3 LYS A 42 -4.270 12.506 0.896 1.00 1.05 H new ATOM 694 N ILE A 43 -3.596 5.873 2.854 1.00 0.16 N ATOM 695 CA ILE A 43 -2.325 5.233 3.175 1.00 0.14 C ATOM 696 C ILE A 43 -1.237 5.753 2.228 1.00 0.15 C ATOM 697 O ILE A 43 -1.500 6.004 1.054 1.00 0.17 O ATOM 698 CB ILE A 43 -2.428 3.693 3.065 1.00 0.15 C ATOM 699 CG1 ILE A 43 -3.470 3.143 4.052 1.00 0.14 C ATOM 700 CG2 ILE A 43 -1.071 3.048 3.311 1.00 0.18 C ATOM 701 CD1 ILE A 43 -2.979 3.027 5.486 1.00 0.15 C ATOM 0 H ILE A 43 -3.950 5.666 1.920 1.00 0.16 H new ATOM 0 HA ILE A 43 -2.066 5.479 4.205 1.00 0.14 H new ATOM 0 HB ILE A 43 -2.752 3.446 2.054 1.00 0.15 H new ATOM 0 HG12 ILE A 43 -4.347 3.790 4.033 1.00 0.14 H new ATOM 0 HG13 ILE A 43 -3.792 2.159 3.711 1.00 0.14 H new ATOM 0 HG21 ILE A 43 -1.163 1.965 3.230 1.00 0.18 H new ATOM 0 HG22 ILE A 43 -0.357 3.408 2.570 1.00 0.18 H new ATOM 0 HG23 ILE A 43 -0.720 3.308 4.310 1.00 0.18 H new ATOM 0 HD11 ILE A 43 -3.778 2.631 6.113 1.00 0.15 H new ATOM 0 HD12 ILE A 43 -2.121 2.355 5.524 1.00 0.15 H new ATOM 0 HD13 ILE A 43 -2.685 4.011 5.851 1.00 0.15 H new ATOM 713 N ILE A 44 -0.027 5.929 2.745 1.00 0.14 N ATOM 714 CA ILE A 44 1.062 6.541 1.984 1.00 0.16 C ATOM 715 C ILE A 44 2.320 5.672 2.036 1.00 0.16 C ATOM 716 O ILE A 44 2.971 5.575 3.075 1.00 0.22 O ATOM 717 CB ILE A 44 1.381 7.945 2.542 1.00 0.20 C ATOM 718 CG1 ILE A 44 0.100 8.788 2.614 1.00 0.28 C ATOM 719 CG2 ILE A 44 2.432 8.637 1.682 1.00 0.22 C ATOM 720 CD1 ILE A 44 0.240 10.049 3.439 1.00 0.27 C ATOM 0 H ILE A 44 0.228 5.656 3.694 1.00 0.14 H new ATOM 0 HA ILE A 44 0.740 6.628 0.946 1.00 0.16 H new ATOM 0 HB ILE A 44 1.784 7.837 3.549 1.00 0.20 H new ATOM 0 HG12 ILE A 44 -0.202 9.059 1.602 1.00 0.28 H new ATOM 0 HG13 ILE A 44 -0.701 8.179 3.033 1.00 0.28 H new ATOM 0 HG21 ILE A 44 2.644 9.625 2.091 1.00 0.22 H new ATOM 0 HG22 ILE A 44 3.346 8.043 1.676 1.00 0.22 H new ATOM 0 HG23 ILE A 44 2.059 8.738 0.663 1.00 0.22 H new ATOM 0 HD11 ILE A 44 -0.707 10.589 3.441 1.00 0.27 H new ATOM 0 HD12 ILE A 44 0.510 9.787 4.462 1.00 0.27 H new ATOM 0 HD13 ILE A 44 1.017 10.681 3.009 1.00 0.27 H new ATOM 732 N LEU A 45 2.660 5.058 0.912 1.00 0.15 N ATOM 733 CA LEU A 45 3.770 4.110 0.849 1.00 0.17 C ATOM 734 C LEU A 45 5.085 4.786 0.462 1.00 0.20 C ATOM 735 O LEU A 45 5.131 5.633 -0.436 1.00 0.26 O ATOM 736 CB LEU A 45 3.458 2.985 -0.140 1.00 0.21 C ATOM 737 CG LEU A 45 2.760 1.753 0.446 1.00 0.21 C ATOM 738 CD1 LEU A 45 1.463 2.126 1.139 1.00 0.18 C ATOM 739 CD2 LEU A 45 2.493 0.738 -0.649 1.00 0.32 C ATOM 0 H LEU A 45 2.180 5.199 0.023 1.00 0.15 H new ATOM 0 HA LEU A 45 3.891 3.694 1.849 1.00 0.17 H new ATOM 0 HB2 LEU A 45 2.832 3.390 -0.935 1.00 0.21 H new ATOM 0 HB3 LEU A 45 4.392 2.664 -0.602 1.00 0.21 H new ATOM 0 HG LEU A 45 3.423 1.315 1.192 1.00 0.21 H new ATOM 0 HD11 LEU A 45 0.995 1.228 1.543 1.00 0.18 H new ATOM 0 HD12 LEU A 45 1.672 2.823 1.951 1.00 0.18 H new ATOM 0 HD13 LEU A 45 0.789 2.595 0.422 1.00 0.18 H new ATOM 0 HD21 LEU A 45 1.997 -0.134 -0.223 1.00 0.32 H new ATOM 0 HD22 LEU A 45 1.853 1.184 -1.410 1.00 0.32 H new ATOM 0 HD23 LEU A 45 3.437 0.434 -1.101 1.00 0.32 H new ATOM 751 N LYS A 46 6.143 4.384 1.156 1.00 0.19 N ATOM 752 CA LYS A 46 7.491 4.888 0.934 1.00 0.30 C ATOM 753 C LYS A 46 8.503 3.770 1.188 1.00 0.22 C ATOM 754 O LYS A 46 8.329 2.974 2.106 1.00 0.30 O ATOM 755 CB LYS A 46 7.770 6.055 1.893 1.00 0.52 C ATOM 756 CG LYS A 46 9.204 6.560 1.849 1.00 0.86 C ATOM 757 CD LYS A 46 9.701 6.978 3.231 1.00 1.04 C ATOM 758 CE LYS A 46 9.641 5.822 4.221 1.00 1.30 C ATOM 759 NZ LYS A 46 10.285 6.154 5.521 1.00 2.16 N ATOM 0 H LYS A 46 6.087 3.688 1.900 1.00 0.19 H new ATOM 0 HA LYS A 46 7.581 5.235 -0.096 1.00 0.30 H new ATOM 0 HB2 LYS A 46 7.098 6.879 1.653 1.00 0.52 H new ATOM 0 HB3 LYS A 46 7.537 5.740 2.910 1.00 0.52 H new ATOM 0 HG2 LYS A 46 9.852 5.779 1.450 1.00 0.86 H new ATOM 0 HG3 LYS A 46 9.270 7.408 1.167 1.00 0.86 H new ATOM 0 HD2 LYS A 46 10.726 7.340 3.155 1.00 1.04 H new ATOM 0 HD3 LYS A 46 9.097 7.806 3.601 1.00 1.04 H new ATOM 0 HE2 LYS A 46 8.600 5.549 4.394 1.00 1.30 H new ATOM 0 HE3 LYS A 46 10.132 4.950 3.788 1.00 1.30 H new ATOM 0 HZ1 LYS A 46 9.709 5.776 6.300 1.00 2.16 H new ATOM 0 HZ2 LYS A 46 11.235 5.732 5.556 1.00 2.16 H new ATOM 0 HZ3 LYS A 46 10.361 7.187 5.617 1.00 2.16 H new ATOM 773 N LYS A 47 9.551 3.705 0.385 1.00 0.27 N ATOM 774 CA LYS A 47 10.604 2.716 0.599 1.00 0.28 C ATOM 775 C LYS A 47 11.485 3.168 1.760 1.00 0.25 C ATOM 776 O LYS A 47 11.685 4.364 1.952 1.00 0.32 O ATOM 777 CB LYS A 47 11.433 2.534 -0.675 1.00 0.37 C ATOM 778 CG LYS A 47 11.882 1.101 -0.911 1.00 0.41 C ATOM 779 CD LYS A 47 13.291 0.833 -0.407 1.00 0.36 C ATOM 780 CE LYS A 47 13.729 -0.581 -0.754 1.00 0.52 C ATOM 781 NZ LYS A 47 15.189 -0.790 -0.579 1.00 0.39 N ATOM 0 H LYS A 47 9.699 4.318 -0.416 1.00 0.27 H new ATOM 0 HA LYS A 47 10.156 1.753 0.844 1.00 0.28 H new ATOM 0 HB2 LYS A 47 10.846 2.867 -1.531 1.00 0.37 H new ATOM 0 HB3 LYS A 47 12.312 3.177 -0.621 1.00 0.37 H new ATOM 0 HG2 LYS A 47 11.189 0.422 -0.415 1.00 0.41 H new ATOM 0 HG3 LYS A 47 11.835 0.882 -1.978 1.00 0.41 H new ATOM 0 HD2 LYS A 47 13.982 1.551 -0.848 1.00 0.36 H new ATOM 0 HD3 LYS A 47 13.329 0.976 0.673 1.00 0.36 H new ATOM 0 HE2 LYS A 47 13.187 -1.289 -0.126 1.00 0.52 H new ATOM 0 HE3 LYS A 47 13.457 -0.798 -1.787 1.00 0.52 H new ATOM 0 HZ1 LYS A 47 15.440 -1.754 -0.878 1.00 0.39 H new ATOM 0 HZ2 LYS A 47 15.710 -0.101 -1.158 1.00 0.39 H new ATOM 0 HZ3 LYS A 47 15.441 -0.661 0.422 1.00 0.39 H new ATOM 795 N TYR A 48 12.003 2.223 2.536 1.00 0.22 N ATOM 796 CA TYR A 48 12.706 2.570 3.766 1.00 0.22 C ATOM 797 C TYR A 48 14.111 3.103 3.486 1.00 0.27 C ATOM 798 O TYR A 48 14.494 4.152 4.000 1.00 0.32 O ATOM 799 CB TYR A 48 12.792 1.359 4.692 1.00 0.23 C ATOM 800 CG TYR A 48 13.111 1.737 6.120 1.00 0.30 C ATOM 801 CD1 TYR A 48 12.164 2.379 6.906 1.00 1.15 C ATOM 802 CD2 TYR A 48 14.357 1.477 6.677 1.00 1.16 C ATOM 803 CE1 TYR A 48 12.446 2.748 8.205 1.00 1.17 C ATOM 804 CE2 TYR A 48 14.649 1.846 7.976 1.00 1.25 C ATOM 805 CZ TYR A 48 13.687 2.481 8.735 1.00 0.58 C ATOM 806 OH TYR A 48 13.973 2.857 10.027 1.00 0.74 O ATOM 0 H TYR A 48 11.951 1.223 2.340 1.00 0.22 H new ATOM 0 HA TYR A 48 12.134 3.360 4.252 1.00 0.22 H new ATOM 0 HB2 TYR A 48 11.845 0.819 4.666 1.00 0.23 H new ATOM 0 HB3 TYR A 48 13.558 0.677 4.321 1.00 0.23 H new ATOM 0 HD1 TYR A 48 11.189 2.593 6.493 1.00 1.15 H new ATOM 0 HD2 TYR A 48 15.110 0.978 6.085 1.00 1.16 H new ATOM 0 HE1 TYR A 48 11.696 3.244 8.803 1.00 1.17 H new ATOM 0 HE2 TYR A 48 15.623 1.639 8.394 1.00 1.25 H new ATOM 0 HH TYR A 48 14.891 2.595 10.249 1.00 0.74 H new ATOM 816 N LYS A 49 14.869 2.351 2.690 1.00 0.33 N ATOM 817 CA LYS A 49 16.239 2.719 2.310 1.00 0.49 C ATOM 818 C LYS A 49 16.357 4.193 1.870 1.00 0.57 C ATOM 819 O LYS A 49 17.176 4.930 2.423 1.00 0.64 O ATOM 820 CB LYS A 49 16.739 1.780 1.203 1.00 0.63 C ATOM 821 CG LYS A 49 18.165 2.044 0.750 1.00 0.91 C ATOM 822 CD LYS A 49 18.563 1.097 -0.371 1.00 2.03 C ATOM 823 CE LYS A 49 19.959 1.392 -0.891 1.00 2.39 C ATOM 824 NZ LYS A 49 20.308 0.523 -2.048 1.00 2.86 N ATOM 0 H LYS A 49 14.554 1.468 2.288 1.00 0.33 H new ATOM 0 HA LYS A 49 16.867 2.609 3.194 1.00 0.49 H new ATOM 0 HB2 LYS A 49 16.668 0.751 1.557 1.00 0.63 H new ATOM 0 HB3 LYS A 49 16.076 1.868 0.343 1.00 0.63 H new ATOM 0 HG2 LYS A 49 18.258 3.075 0.410 1.00 0.91 H new ATOM 0 HG3 LYS A 49 18.846 1.924 1.592 1.00 0.91 H new ATOM 0 HD2 LYS A 49 18.519 0.069 -0.011 1.00 2.03 H new ATOM 0 HD3 LYS A 49 17.846 1.179 -1.188 1.00 2.03 H new ATOM 0 HE2 LYS A 49 20.023 2.439 -1.189 1.00 2.39 H new ATOM 0 HE3 LYS A 49 20.685 1.243 -0.091 1.00 2.39 H new ATOM 0 HZ1 LYS A 49 21.268 0.752 -2.377 1.00 2.86 H new ATOM 0 HZ2 LYS A 49 20.271 -0.475 -1.757 1.00 2.86 H new ATOM 0 HZ3 LYS A 49 19.630 0.684 -2.820 1.00 2.86 H new ATOM 838 N PRO A 50 15.570 4.648 0.868 1.00 0.64 N ATOM 839 CA PRO A 50 15.569 6.055 0.458 1.00 0.86 C ATOM 840 C PRO A 50 14.997 6.956 1.545 1.00 0.91 C ATOM 841 O PRO A 50 14.056 6.586 2.247 1.00 1.81 O ATOM 842 CB PRO A 50 14.670 6.084 -0.788 1.00 1.03 C ATOM 843 CG PRO A 50 14.549 4.665 -1.215 1.00 0.79 C ATOM 844 CD PRO A 50 14.645 3.860 0.045 1.00 0.59 C ATOM 0 HA PRO A 50 16.577 6.422 0.266 1.00 0.86 H new ATOM 0 HB2 PRO A 50 13.694 6.511 -0.559 1.00 1.03 H new ATOM 0 HB3 PRO A 50 15.109 6.696 -1.576 1.00 1.03 H new ATOM 0 HG2 PRO A 50 13.601 4.487 -1.723 1.00 0.79 H new ATOM 0 HG3 PRO A 50 15.341 4.396 -1.914 1.00 0.79 H new ATOM 0 HD2 PRO A 50 13.674 3.745 0.526 1.00 0.59 H new ATOM 0 HD3 PRO A 50 15.027 2.857 -0.145 1.00 0.59 H new ATOM 852 N HIS A 51 15.565 8.140 1.677 1.00 0.98 N ATOM 853 CA HIS A 51 15.134 9.069 2.706 1.00 1.17 C ATOM 854 C HIS A 51 14.079 10.005 2.142 1.00 1.76 C ATOM 855 O HIS A 51 14.055 10.275 0.939 1.00 2.56 O ATOM 856 CB HIS A 51 16.321 9.874 3.241 1.00 2.12 C ATOM 857 CG HIS A 51 17.481 9.033 3.668 1.00 2.93 C ATOM 858 ND1 HIS A 51 17.459 8.214 4.775 1.00 3.83 N ATOM 859 CD2 HIS A 51 18.701 8.876 3.113 1.00 3.56 C ATOM 860 CE1 HIS A 51 18.617 7.592 4.881 1.00 4.69 C ATOM 861 NE2 HIS A 51 19.389 7.976 3.882 1.00 4.56 N ATOM 0 H HIS A 51 16.324 8.481 1.087 1.00 0.98 H new ATOM 0 HA HIS A 51 14.707 8.501 3.532 1.00 1.17 H new ATOM 0 HB2 HIS A 51 16.653 10.569 2.470 1.00 2.12 H new ATOM 0 HB3 HIS A 51 15.988 10.474 4.088 1.00 2.12 H new ATOM 0 HD2 HIS A 51 19.067 9.370 2.225 1.00 3.56 H new ATOM 0 HE1 HIS A 51 18.888 6.888 5.654 1.00 4.69 H new ATOM 0 HE2 HIS A 51 20.342 7.655 3.711 1.00 4.56 H new ATOM 870 N GLY A 52 13.204 10.492 2.999 1.00 2.14 N ATOM 871 CA GLY A 52 12.151 11.369 2.548 1.00 3.14 C ATOM 872 C GLY A 52 11.161 11.670 3.644 1.00 2.89 C ATOM 873 O GLY A 52 11.539 11.814 4.808 1.00 3.06 O ATOM 0 H GLY A 52 13.203 10.296 4.000 1.00 2.14 H new ATOM 0 HA2 GLY A 52 12.585 12.301 2.185 1.00 3.14 H new ATOM 0 HA3 GLY A 52 11.632 10.910 1.706 1.00 3.14 H new ATOM 877 N VAL A 53 9.895 11.755 3.281 1.00 2.85 N ATOM 878 CA VAL A 53 8.858 12.091 4.240 1.00 2.75 C ATOM 879 C VAL A 53 8.447 10.886 5.081 1.00 2.07 C ATOM 880 O VAL A 53 8.237 9.783 4.568 1.00 1.96 O ATOM 881 CB VAL A 53 7.612 12.699 3.556 1.00 3.40 C ATOM 882 CG1 VAL A 53 7.047 11.761 2.496 1.00 3.54 C ATOM 883 CG2 VAL A 53 6.555 13.034 4.595 1.00 3.58 C ATOM 0 H VAL A 53 9.560 11.596 2.331 1.00 2.85 H new ATOM 0 HA VAL A 53 9.290 12.843 4.901 1.00 2.75 H new ATOM 0 HB VAL A 53 7.915 13.618 3.054 1.00 3.40 H new ATOM 0 HG11 VAL A 53 6.172 12.218 2.034 1.00 3.54 H new ATOM 0 HG12 VAL A 53 7.804 11.575 1.734 1.00 3.54 H new ATOM 0 HG13 VAL A 53 6.761 10.817 2.960 1.00 3.54 H new ATOM 0 HG21 VAL A 53 5.682 13.462 4.101 1.00 3.58 H new ATOM 0 HG22 VAL A 53 6.264 12.126 5.124 1.00 3.58 H new ATOM 0 HG23 VAL A 53 6.959 13.755 5.306 1.00 3.58 H new ATOM 893 N CYS A 54 8.340 11.116 6.378 1.00 1.91 N ATOM 894 CA CYS A 54 7.822 10.123 7.298 1.00 1.51 C ATOM 895 C CYS A 54 6.365 10.441 7.582 1.00 2.04 C ATOM 896 O CYS A 54 5.540 10.267 6.657 1.00 2.71 O ATOM 897 CB CYS A 54 8.636 10.099 8.593 1.00 1.90 C ATOM 898 SG CYS A 54 10.329 9.503 8.378 1.00 2.87 S ATOM 899 OXT CYS A 54 6.052 10.884 8.699 1.00 2.46 O ATOM 0 H CYS A 54 8.609 11.995 6.821 1.00 1.91 H new ATOM 0 HA CYS A 54 7.901 9.133 6.849 1.00 1.51 H new ATOM 0 HB2 CYS A 54 8.665 11.105 9.012 1.00 1.90 H new ATOM 0 HB3 CYS A 54 8.127 9.466 9.320 1.00 1.90 H new ATOM 0 HG CYS A 54 10.943 9.519 9.524 1.00 2.87 H new TER 905 CYS A 54 ATOM 906 N MET B 1 10.076 7.492 12.038 1.00 2.43 N ATOM 907 CA MET B 1 9.032 6.473 11.794 1.00 1.54 C ATOM 908 C MET B 1 7.852 7.099 11.081 1.00 1.28 C ATOM 909 O MET B 1 7.696 8.318 11.064 1.00 1.95 O ATOM 910 CB MET B 1 8.545 5.865 13.115 1.00 1.98 C ATOM 911 CG MET B 1 9.604 5.091 13.880 1.00 2.66 C ATOM 912 SD MET B 1 8.995 4.484 15.467 1.00 3.87 S ATOM 913 CE MET B 1 10.457 3.673 16.106 1.00 4.74 C ATOM 0 H1 MET B 1 10.978 7.168 11.635 1.00 2.43 H new ATOM 0 H2 MET B 1 9.798 8.388 11.589 1.00 2.43 H new ATOM 0 H3 MET B 1 10.187 7.637 13.062 1.00 2.43 H new ATOM 0 HA MET B 1 9.467 5.688 11.176 1.00 1.54 H new ATOM 0 HB2 MET B 1 8.167 6.665 13.751 1.00 1.98 H new ATOM 0 HB3 MET B 1 7.706 5.200 12.907 1.00 1.98 H new ATOM 0 HG2 MET B 1 9.942 4.249 13.277 1.00 2.66 H new ATOM 0 HG3 MET B 1 10.470 5.732 14.046 1.00 2.66 H new ATOM 0 HE1 MET B 1 10.238 3.247 17.085 1.00 4.74 H new ATOM 0 HE2 MET B 1 10.760 2.879 15.424 1.00 4.74 H new ATOM 0 HE3 MET B 1 11.265 4.399 16.199 1.00 4.74 H new ATOM 925 N LYS B 2 7.027 6.258 10.491 1.00 0.96 N ATOM 926 CA LYS B 2 5.811 6.706 9.840 1.00 0.62 C ATOM 927 C LYS B 2 4.652 6.758 10.823 1.00 0.56 C ATOM 928 O LYS B 2 4.803 6.418 11.998 1.00 0.73 O ATOM 929 CB LYS B 2 5.457 5.752 8.699 1.00 0.60 C ATOM 930 CG LYS B 2 6.230 5.996 7.416 1.00 0.66 C ATOM 931 CD LYS B 2 5.764 7.259 6.740 1.00 0.87 C ATOM 932 CE LYS B 2 6.147 7.294 5.274 1.00 1.74 C ATOM 933 NZ LYS B 2 5.714 8.565 4.633 1.00 2.31 N ATOM 0 H LYS B 2 7.178 5.250 10.449 1.00 0.96 H new ATOM 0 HA LYS B 2 5.984 7.709 9.450 1.00 0.62 H new ATOM 0 HB2 LYS B 2 5.637 4.729 9.028 1.00 0.60 H new ATOM 0 HB3 LYS B 2 4.391 5.837 8.488 1.00 0.60 H new ATOM 0 HG2 LYS B 2 7.295 6.068 7.636 1.00 0.66 H new ATOM 0 HG3 LYS B 2 6.101 5.149 6.742 1.00 0.66 H new ATOM 0 HD2 LYS B 2 4.681 7.342 6.834 1.00 0.87 H new ATOM 0 HD3 LYS B 2 6.195 8.122 7.248 1.00 0.87 H new ATOM 0 HE2 LYS B 2 7.227 7.184 5.175 1.00 1.74 H new ATOM 0 HE3 LYS B 2 5.692 6.450 4.757 1.00 1.74 H new ATOM 0 HZ1 LYS B 2 5.112 8.352 3.812 1.00 2.31 H new ATOM 0 HZ2 LYS B 2 5.177 9.134 5.318 1.00 2.31 H new ATOM 0 HZ3 LYS B 2 6.550 9.098 4.320 1.00 2.31 H new ATOM 947 N SER B 3 3.494 7.174 10.322 1.00 0.42 N ATOM 948 CA SER B 3 2.266 7.190 11.107 1.00 0.40 C ATOM 949 C SER B 3 1.960 5.792 11.622 1.00 0.37 C ATOM 950 O SER B 3 1.584 5.604 12.779 1.00 0.50 O ATOM 951 CB SER B 3 1.103 7.694 10.250 1.00 0.39 C ATOM 952 OG SER B 3 -0.096 7.770 10.992 1.00 1.00 O ATOM 0 H SER B 3 3.381 7.508 9.365 1.00 0.42 H new ATOM 0 HA SER B 3 2.399 7.861 11.956 1.00 0.40 H new ATOM 0 HB2 SER B 3 1.346 8.678 9.849 1.00 0.39 H new ATOM 0 HB3 SER B 3 0.963 7.028 9.398 1.00 0.39 H new ATOM 0 HG SER B 3 -0.722 8.375 10.542 1.00 1.00 H new ATOM 958 N ILE B 4 2.135 4.810 10.752 1.00 0.27 N ATOM 959 CA ILE B 4 1.959 3.427 11.138 1.00 0.24 C ATOM 960 C ILE B 4 3.285 2.898 11.661 1.00 0.26 C ATOM 961 O ILE B 4 3.340 2.173 12.652 1.00 0.32 O ATOM 962 CB ILE B 4 1.481 2.558 9.956 1.00 0.22 C ATOM 963 CG1 ILE B 4 0.528 3.364 9.059 1.00 0.27 C ATOM 964 CG2 ILE B 4 0.793 1.304 10.481 1.00 0.23 C ATOM 965 CD1 ILE B 4 -0.068 2.569 7.917 1.00 0.23 C ATOM 0 H ILE B 4 2.398 4.949 9.776 1.00 0.27 H new ATOM 0 HA ILE B 4 1.192 3.377 11.911 1.00 0.24 H new ATOM 0 HB ILE B 4 2.343 2.259 9.360 1.00 0.22 H new ATOM 0 HG12 ILE B 4 -0.281 3.761 9.672 1.00 0.27 H new ATOM 0 HG13 ILE B 4 1.067 4.218 8.650 1.00 0.27 H new ATOM 0 HG21 ILE B 4 0.458 0.695 9.642 1.00 0.23 H new ATOM 0 HG22 ILE B 4 1.494 0.731 11.088 1.00 0.23 H new ATOM 0 HG23 ILE B 4 -0.066 1.588 11.089 1.00 0.23 H new ATOM 0 HD11 ILE B 4 -0.728 3.210 7.333 1.00 0.23 H new ATOM 0 HD12 ILE B 4 0.732 2.194 7.279 1.00 0.23 H new ATOM 0 HD13 ILE B 4 -0.637 1.730 8.316 1.00 0.23 H new ATOM 977 N GLY B 5 4.357 3.299 10.984 1.00 0.27 N ATOM 978 CA GLY B 5 5.699 2.955 11.420 1.00 0.32 C ATOM 979 C GLY B 5 6.065 1.528 11.091 1.00 0.31 C ATOM 980 O GLY B 5 6.991 0.965 11.673 1.00 0.43 O ATOM 0 H GLY B 5 4.319 3.861 10.134 1.00 0.27 H new ATOM 0 HA2 GLY B 5 6.415 3.628 10.948 1.00 0.32 H new ATOM 0 HA3 GLY B 5 5.779 3.108 12.496 1.00 0.32 H new ATOM 984 N VAL B 6 5.341 0.944 10.154 1.00 0.20 N ATOM 985 CA VAL B 6 5.582 -0.432 9.762 1.00 0.16 C ATOM 986 C VAL B 6 6.078 -0.503 8.327 1.00 0.12 C ATOM 987 O VAL B 6 5.516 0.127 7.428 1.00 0.13 O ATOM 988 CB VAL B 6 4.311 -1.297 9.914 1.00 0.19 C ATOM 989 CG1 VAL B 6 3.939 -1.471 11.380 1.00 0.25 C ATOM 990 CG2 VAL B 6 3.157 -0.683 9.145 1.00 0.22 C ATOM 0 H VAL B 6 4.581 1.401 9.650 1.00 0.20 H new ATOM 0 HA VAL B 6 6.349 -0.828 10.428 1.00 0.16 H new ATOM 0 HB VAL B 6 4.523 -2.283 9.500 1.00 0.19 H new ATOM 0 HG11 VAL B 6 3.041 -2.084 11.457 1.00 0.25 H new ATOM 0 HG12 VAL B 6 4.758 -1.959 11.908 1.00 0.25 H new ATOM 0 HG13 VAL B 6 3.751 -0.494 11.826 1.00 0.25 H new ATOM 0 HG21 VAL B 6 2.270 -1.305 9.263 1.00 0.22 H new ATOM 0 HG22 VAL B 6 2.954 0.316 9.530 1.00 0.22 H new ATOM 0 HG23 VAL B 6 3.417 -0.618 8.088 1.00 0.22 H new ATOM 1000 N VAL B 7 7.135 -1.267 8.124 1.00 0.12 N ATOM 1001 CA VAL B 7 7.681 -1.470 6.801 1.00 0.12 C ATOM 1002 C VAL B 7 7.502 -2.924 6.390 1.00 0.12 C ATOM 1003 O VAL B 7 7.661 -3.838 7.200 1.00 0.15 O ATOM 1004 CB VAL B 7 9.171 -1.068 6.727 1.00 0.13 C ATOM 1005 CG1 VAL B 7 10.032 -1.916 7.652 1.00 0.16 C ATOM 1006 CG2 VAL B 7 9.671 -1.138 5.294 1.00 0.15 C ATOM 0 H VAL B 7 7.633 -1.759 8.866 1.00 0.12 H new ATOM 0 HA VAL B 7 7.137 -0.827 6.109 1.00 0.12 H new ATOM 0 HB VAL B 7 9.254 -0.037 7.070 1.00 0.13 H new ATOM 0 HG11 VAL B 7 11.072 -1.602 7.570 1.00 0.16 H new ATOM 0 HG12 VAL B 7 9.695 -1.790 8.681 1.00 0.16 H new ATOM 0 HG13 VAL B 7 9.947 -2.965 7.368 1.00 0.16 H new ATOM 0 HG21 VAL B 7 10.722 -0.852 5.261 1.00 0.15 H new ATOM 0 HG22 VAL B 7 9.560 -2.156 4.919 1.00 0.15 H new ATOM 0 HG23 VAL B 7 9.090 -0.457 4.672 1.00 0.15 H new ATOM 1016 N ARG B 8 7.151 -3.132 5.140 1.00 0.12 N ATOM 1017 CA ARG B 8 6.844 -4.460 4.651 1.00 0.13 C ATOM 1018 C ARG B 8 7.953 -4.970 3.769 1.00 0.13 C ATOM 1019 O ARG B 8 8.820 -4.210 3.341 1.00 0.16 O ATOM 1020 CB ARG B 8 5.550 -4.466 3.851 1.00 0.15 C ATOM 1021 CG ARG B 8 4.284 -4.289 4.658 1.00 0.30 C ATOM 1022 CD ARG B 8 4.449 -4.728 6.101 1.00 0.18 C ATOM 1023 NE ARG B 8 3.176 -4.725 6.821 1.00 0.55 N ATOM 1024 CZ ARG B 8 3.048 -4.889 8.138 1.00 0.50 C ATOM 1025 NH1 ARG B 8 4.118 -5.086 8.897 1.00 0.55 N ATOM 1026 NH2 ARG B 8 1.840 -4.871 8.691 1.00 1.09 N ATOM 0 H ARG B 8 7.071 -2.395 4.440 1.00 0.12 H new ATOM 0 HA ARG B 8 6.734 -5.106 5.522 1.00 0.13 H new ATOM 0 HB2 ARG B 8 5.600 -3.671 3.107 1.00 0.15 H new ATOM 0 HB3 ARG B 8 5.484 -5.408 3.307 1.00 0.15 H new ATOM 0 HG2 ARG B 8 3.984 -3.241 4.632 1.00 0.30 H new ATOM 0 HG3 ARG B 8 3.480 -4.862 4.197 1.00 0.30 H new ATOM 0 HD2 ARG B 8 4.879 -5.729 6.129 1.00 0.18 H new ATOM 0 HD3 ARG B 8 5.152 -4.064 6.604 1.00 0.18 H new ATOM 0 HE ARG B 8 2.325 -4.588 6.276 1.00 0.55 H new ATOM 0 HH11 ARG B 8 5.046 -5.113 8.474 1.00 0.55 H new ATOM 0 HH12 ARG B 8 4.013 -5.211 9.904 1.00 0.55 H new ATOM 0 HH21 ARG B 8 1.014 -4.732 8.108 1.00 1.09 H new ATOM 0 HH22 ARG B 8 1.738 -4.996 9.698 1.00 1.09 H new ATOM 1040 N LYS B 9 7.902 -6.255 3.492 1.00 0.13 N ATOM 1041 CA LYS B 9 8.849 -6.901 2.612 1.00 0.14 C ATOM 1042 C LYS B 9 8.068 -7.628 1.529 1.00 0.17 C ATOM 1043 O LYS B 9 7.254 -8.504 1.835 1.00 0.21 O ATOM 1044 CB LYS B 9 9.721 -7.886 3.403 1.00 0.19 C ATOM 1045 CG LYS B 9 10.349 -7.287 4.662 1.00 0.54 C ATOM 1046 CD LYS B 9 11.097 -5.993 4.371 1.00 0.26 C ATOM 1047 CE LYS B 9 11.716 -5.393 5.621 1.00 0.79 C ATOM 1048 NZ LYS B 9 12.864 -6.197 6.119 1.00 1.16 N ATOM 0 H LYS B 9 7.197 -6.885 3.874 1.00 0.13 H new ATOM 0 HA LYS B 9 9.509 -6.161 2.159 1.00 0.14 H new ATOM 0 HB2 LYS B 9 9.114 -8.746 3.686 1.00 0.19 H new ATOM 0 HB3 LYS B 9 10.515 -8.255 2.754 1.00 0.19 H new ATOM 0 HG2 LYS B 9 9.569 -7.096 5.399 1.00 0.54 H new ATOM 0 HG3 LYS B 9 11.035 -8.010 5.103 1.00 0.54 H new ATOM 0 HD2 LYS B 9 11.879 -6.185 3.637 1.00 0.26 H new ATOM 0 HD3 LYS B 9 10.412 -5.272 3.925 1.00 0.26 H new ATOM 0 HE2 LYS B 9 12.051 -4.378 5.408 1.00 0.79 H new ATOM 0 HE3 LYS B 9 10.958 -5.322 6.402 1.00 0.79 H new ATOM 0 HZ1 LYS B 9 13.287 -5.724 6.943 1.00 1.16 H new ATOM 0 HZ2 LYS B 9 12.531 -7.143 6.396 1.00 1.16 H new ATOM 0 HZ3 LYS B 9 13.577 -6.287 5.367 1.00 1.16 H new ATOM 1062 N VAL B 10 8.287 -7.241 0.279 1.00 0.16 N ATOM 1063 CA VAL B 10 7.569 -7.816 -0.848 1.00 0.18 C ATOM 1064 C VAL B 10 7.739 -9.337 -0.897 1.00 0.20 C ATOM 1065 O VAL B 10 8.788 -9.875 -0.556 1.00 0.25 O ATOM 1066 CB VAL B 10 8.002 -7.160 -2.195 1.00 0.18 C ATOM 1067 CG1 VAL B 10 7.662 -8.035 -3.383 1.00 0.20 C ATOM 1068 CG2 VAL B 10 7.342 -5.803 -2.359 1.00 0.16 C ATOM 0 H VAL B 10 8.964 -6.523 0.020 1.00 0.16 H new ATOM 0 HA VAL B 10 6.510 -7.603 -0.703 1.00 0.18 H new ATOM 0 HB VAL B 10 9.085 -7.039 -2.162 1.00 0.18 H new ATOM 0 HG11 VAL B 10 7.980 -7.541 -4.301 1.00 0.20 H new ATOM 0 HG12 VAL B 10 8.175 -8.992 -3.289 1.00 0.20 H new ATOM 0 HG13 VAL B 10 6.585 -8.202 -3.415 1.00 0.20 H new ATOM 0 HG21 VAL B 10 7.654 -5.358 -3.304 1.00 0.16 H new ATOM 0 HG22 VAL B 10 6.259 -5.922 -2.355 1.00 0.16 H new ATOM 0 HG23 VAL B 10 7.638 -5.152 -1.536 1.00 0.16 H new ATOM 1078 N ASP B 11 6.661 -10.006 -1.266 1.00 0.18 N ATOM 1079 CA ASP B 11 6.636 -11.454 -1.415 1.00 0.20 C ATOM 1080 C ASP B 11 7.601 -11.883 -2.513 1.00 0.23 C ATOM 1081 O ASP B 11 8.686 -12.388 -2.230 1.00 0.26 O ATOM 1082 CB ASP B 11 5.201 -11.897 -1.730 1.00 0.23 C ATOM 1083 CG ASP B 11 5.064 -13.369 -2.058 1.00 0.40 C ATOM 1084 OD1 ASP B 11 5.568 -14.209 -1.288 1.00 1.14 O ATOM 1085 OD2 ASP B 11 4.426 -13.687 -3.084 1.00 1.22 O ATOM 0 H ASP B 11 5.769 -9.557 -1.473 1.00 0.18 H new ATOM 0 HA ASP B 11 6.956 -11.931 -0.489 1.00 0.20 H new ATOM 0 HB2 ASP B 11 4.565 -11.666 -0.875 1.00 0.23 H new ATOM 0 HB3 ASP B 11 4.829 -11.313 -2.571 1.00 0.23 H new ATOM 1090 N GLU B 12 7.186 -11.681 -3.758 1.00 0.24 N ATOM 1091 CA GLU B 12 8.056 -11.853 -4.922 1.00 0.28 C ATOM 1092 C GLU B 12 7.563 -10.944 -6.032 1.00 0.27 C ATOM 1093 O GLU B 12 8.323 -10.191 -6.640 1.00 0.34 O ATOM 1094 CB GLU B 12 8.044 -13.295 -5.450 1.00 0.35 C ATOM 1095 CG GLU B 12 8.437 -14.349 -4.436 1.00 0.40 C ATOM 1096 CD GLU B 12 8.687 -15.696 -5.075 1.00 0.48 C ATOM 1097 OE1 GLU B 12 9.820 -15.932 -5.546 1.00 1.17 O ATOM 1098 OE2 GLU B 12 7.755 -16.523 -5.120 1.00 1.22 O ATOM 0 H GLU B 12 6.236 -11.393 -3.992 1.00 0.24 H new ATOM 0 HA GLU B 12 9.073 -11.609 -4.615 1.00 0.28 H new ATOM 0 HB2 GLU B 12 7.044 -13.523 -5.820 1.00 0.35 H new ATOM 0 HB3 GLU B 12 8.721 -13.360 -6.301 1.00 0.35 H new ATOM 0 HG2 GLU B 12 9.336 -14.027 -3.910 1.00 0.40 H new ATOM 0 HG3 GLU B 12 7.648 -14.444 -3.690 1.00 0.40 H new ATOM 1105 N LEU B 13 6.264 -11.031 -6.269 1.00 0.26 N ATOM 1106 CA LEU B 13 5.603 -10.301 -7.340 1.00 0.26 C ATOM 1107 C LEU B 13 5.345 -8.853 -6.926 1.00 0.25 C ATOM 1108 O LEU B 13 5.139 -7.975 -7.764 1.00 0.39 O ATOM 1109 CB LEU B 13 4.269 -10.981 -7.684 1.00 0.32 C ATOM 1110 CG LEU B 13 4.271 -12.518 -7.634 1.00 0.32 C ATOM 1111 CD1 LEU B 13 4.042 -13.019 -6.213 1.00 0.90 C ATOM 1112 CD2 LEU B 13 3.218 -13.089 -8.565 1.00 0.79 C ATOM 0 H LEU B 13 5.633 -11.615 -5.719 1.00 0.26 H new ATOM 0 HA LEU B 13 6.254 -10.305 -8.214 1.00 0.26 H new ATOM 0 HB2 LEU B 13 3.507 -10.615 -6.996 1.00 0.32 H new ATOM 0 HB3 LEU B 13 3.971 -10.669 -8.685 1.00 0.32 H new ATOM 0 HG LEU B 13 5.252 -12.859 -7.966 1.00 0.32 H new ATOM 0 HD11 LEU B 13 4.048 -14.109 -6.206 1.00 0.90 H new ATOM 0 HD12 LEU B 13 4.835 -12.648 -5.564 1.00 0.90 H new ATOM 0 HD13 LEU B 13 3.079 -12.659 -5.851 1.00 0.90 H new ATOM 0 HD21 LEU B 13 3.238 -14.178 -8.513 1.00 0.79 H new ATOM 0 HD22 LEU B 13 2.234 -12.729 -8.265 1.00 0.79 H new ATOM 0 HD23 LEU B 13 3.425 -12.771 -9.587 1.00 0.79 H new ATOM 1124 N GLY B 14 5.376 -8.617 -5.624 1.00 0.15 N ATOM 1125 CA GLY B 14 5.072 -7.304 -5.094 1.00 0.13 C ATOM 1126 C GLY B 14 4.019 -7.374 -4.011 1.00 0.11 C ATOM 1127 O GLY B 14 3.677 -6.368 -3.400 1.00 0.12 O ATOM 0 H GLY B 14 5.608 -9.317 -4.919 1.00 0.15 H new ATOM 0 HA2 GLY B 14 5.980 -6.854 -4.692 1.00 0.13 H new ATOM 0 HA3 GLY B 14 4.725 -6.657 -5.899 1.00 0.13 H new ATOM 1131 N ARG B 15 3.507 -8.574 -3.774 1.00 0.11 N ATOM 1132 CA ARG B 15 2.512 -8.789 -2.732 1.00 0.11 C ATOM 1133 C ARG B 15 3.105 -8.491 -1.360 1.00 0.09 C ATOM 1134 O ARG B 15 4.171 -8.997 -1.024 1.00 0.12 O ATOM 1135 CB ARG B 15 2.013 -10.238 -2.754 1.00 0.14 C ATOM 1136 CG ARG B 15 1.502 -10.695 -4.108 1.00 0.17 C ATOM 1137 CD ARG B 15 0.703 -11.985 -4.002 1.00 0.29 C ATOM 1138 NE ARG B 15 1.493 -13.101 -3.477 1.00 1.30 N ATOM 1139 CZ ARG B 15 0.958 -14.181 -2.909 1.00 1.93 C ATOM 1140 NH1 ARG B 15 -0.358 -14.268 -2.742 1.00 1.94 N ATOM 1141 NH2 ARG B 15 1.737 -15.168 -2.492 1.00 2.91 N ATOM 0 H ARG B 15 3.765 -9.415 -4.290 1.00 0.11 H new ATOM 0 HA ARG B 15 1.677 -8.115 -2.923 1.00 0.11 H new ATOM 0 HB2 ARG B 15 2.825 -10.896 -2.443 1.00 0.14 H new ATOM 0 HB3 ARG B 15 1.215 -10.348 -2.020 1.00 0.14 H new ATOM 0 HG2 ARG B 15 0.877 -9.915 -4.543 1.00 0.17 H new ATOM 0 HG3 ARG B 15 2.344 -10.843 -4.784 1.00 0.17 H new ATOM 0 HD2 ARG B 15 -0.159 -11.821 -3.356 1.00 0.29 H new ATOM 0 HD3 ARG B 15 0.318 -12.250 -4.987 1.00 0.29 H new ATOM 0 HE ARG B 15 2.509 -13.049 -3.550 1.00 1.30 H new ATOM 0 HH11 ARG B 15 -0.963 -13.506 -3.049 1.00 1.94 H new ATOM 0 HH12 ARG B 15 -0.763 -15.097 -2.307 1.00 1.94 H new ATOM 0 HH21 ARG B 15 2.749 -15.102 -2.605 1.00 2.91 H new ATOM 0 HH22 ARG B 15 1.325 -15.994 -2.057 1.00 2.91 H new ATOM 1155 N ILE B 16 2.429 -7.664 -0.579 1.00 0.09 N ATOM 1156 CA ILE B 16 2.873 -7.373 0.777 1.00 0.09 C ATOM 1157 C ILE B 16 1.672 -7.408 1.712 1.00 0.09 C ATOM 1158 O ILE B 16 0.545 -7.637 1.278 1.00 0.11 O ATOM 1159 CB ILE B 16 3.607 -6.005 0.904 1.00 0.11 C ATOM 1160 CG1 ILE B 16 2.620 -4.866 1.189 1.00 0.11 C ATOM 1161 CG2 ILE B 16 4.422 -5.702 -0.347 1.00 0.16 C ATOM 1162 CD1 ILE B 16 3.222 -3.483 1.054 1.00 0.14 C ATOM 0 H ILE B 16 1.574 -7.183 -0.858 1.00 0.09 H new ATOM 0 HA ILE B 16 3.599 -8.138 1.052 1.00 0.09 H new ATOM 0 HB ILE B 16 4.291 -6.080 1.750 1.00 0.11 H new ATOM 0 HG12 ILE B 16 1.775 -4.952 0.506 1.00 0.11 H new ATOM 0 HG13 ILE B 16 2.227 -4.983 2.199 1.00 0.11 H new ATOM 0 HG21 ILE B 16 4.924 -4.741 -0.231 1.00 0.16 H new ATOM 0 HG22 ILE B 16 5.166 -6.484 -0.495 1.00 0.16 H new ATOM 0 HG23 ILE B 16 3.760 -5.663 -1.212 1.00 0.16 H new ATOM 0 HD11 ILE B 16 2.462 -2.733 1.271 1.00 0.14 H new ATOM 0 HD12 ILE B 16 4.049 -3.376 1.756 1.00 0.14 H new ATOM 0 HD13 ILE B 16 3.589 -3.344 0.037 1.00 0.14 H new ATOM 1174 N VAL B 17 1.903 -7.179 2.985 1.00 0.09 N ATOM 1175 CA VAL B 17 0.831 -7.230 3.956 1.00 0.10 C ATOM 1176 C VAL B 17 0.449 -5.828 4.425 1.00 0.11 C ATOM 1177 O VAL B 17 1.211 -5.159 5.119 1.00 0.16 O ATOM 1178 CB VAL B 17 1.203 -8.140 5.156 1.00 0.14 C ATOM 1179 CG1 VAL B 17 2.612 -7.849 5.659 1.00 0.18 C ATOM 1180 CG2 VAL B 17 0.186 -8.010 6.283 1.00 0.19 C ATOM 0 H VAL B 17 2.820 -6.956 3.372 1.00 0.09 H new ATOM 0 HA VAL B 17 -0.040 -7.667 3.467 1.00 0.10 H new ATOM 0 HB VAL B 17 1.183 -9.171 4.802 1.00 0.14 H new ATOM 0 HG11 VAL B 17 2.841 -8.504 6.500 1.00 0.18 H new ATOM 0 HG12 VAL B 17 3.328 -8.025 4.857 1.00 0.18 H new ATOM 0 HG13 VAL B 17 2.676 -6.810 5.981 1.00 0.18 H new ATOM 0 HG21 VAL B 17 0.474 -8.660 7.110 1.00 0.19 H new ATOM 0 HG22 VAL B 17 0.155 -6.976 6.628 1.00 0.19 H new ATOM 0 HG23 VAL B 17 -0.799 -8.301 5.919 1.00 0.19 H new ATOM 1190 N MET B 18 -0.716 -5.363 4.001 1.00 0.10 N ATOM 1191 CA MET B 18 -1.251 -4.108 4.505 1.00 0.11 C ATOM 1192 C MET B 18 -1.768 -4.332 5.916 1.00 0.10 C ATOM 1193 O MET B 18 -2.152 -5.449 6.266 1.00 0.15 O ATOM 1194 CB MET B 18 -2.378 -3.577 3.618 1.00 0.18 C ATOM 1195 CG MET B 18 -1.916 -2.917 2.327 1.00 0.29 C ATOM 1196 SD MET B 18 -1.143 -1.313 2.603 1.00 0.94 S ATOM 1197 CE MET B 18 0.585 -1.736 2.483 1.00 0.54 C ATOM 0 H MET B 18 -1.306 -5.832 3.314 1.00 0.10 H new ATOM 0 HA MET B 18 -0.455 -3.364 4.503 1.00 0.11 H new ATOM 0 HB2 MET B 18 -3.045 -4.402 3.369 1.00 0.18 H new ATOM 0 HB3 MET B 18 -2.962 -2.856 4.190 1.00 0.18 H new ATOM 0 HG2 MET B 18 -1.209 -3.574 1.821 1.00 0.29 H new ATOM 0 HG3 MET B 18 -2.770 -2.794 1.661 1.00 0.29 H new ATOM 0 HE1 MET B 18 1.162 -0.843 2.242 1.00 0.54 H new ATOM 0 HE2 MET B 18 0.927 -2.143 3.435 1.00 0.54 H new ATOM 0 HE3 MET B 18 0.724 -2.481 1.699 1.00 0.54 H new ATOM 1207 N PRO B 19 -1.785 -3.291 6.746 1.00 0.12 N ATOM 1208 CA PRO B 19 -2.164 -3.427 8.135 1.00 0.13 C ATOM 1209 C PRO B 19 -3.671 -3.366 8.348 1.00 0.13 C ATOM 1210 O PRO B 19 -4.419 -2.784 7.546 1.00 0.13 O ATOM 1211 CB PRO B 19 -1.470 -2.242 8.808 1.00 0.15 C ATOM 1212 CG PRO B 19 -1.268 -1.221 7.734 1.00 0.19 C ATOM 1213 CD PRO B 19 -1.458 -1.904 6.399 1.00 0.19 C ATOM 0 HA PRO B 19 -1.872 -4.396 8.541 1.00 0.13 H new ATOM 0 HB2 PRO B 19 -2.079 -1.841 9.618 1.00 0.15 H new ATOM 0 HB3 PRO B 19 -0.518 -2.543 9.244 1.00 0.15 H new ATOM 0 HG2 PRO B 19 -1.979 -0.402 7.848 1.00 0.19 H new ATOM 0 HG3 PRO B 19 -0.270 -0.788 7.802 1.00 0.19 H new ATOM 0 HD2 PRO B 19 -2.258 -1.438 5.824 1.00 0.19 H new ATOM 0 HD3 PRO B 19 -0.555 -1.848 5.791 1.00 0.19 H new ATOM 1221 N ILE B 20 -4.119 -3.976 9.435 1.00 0.15 N ATOM 1222 CA ILE B 20 -5.498 -3.843 9.868 1.00 0.16 C ATOM 1223 C ILE B 20 -5.852 -2.368 9.997 1.00 0.16 C ATOM 1224 O ILE B 20 -6.971 -1.963 9.726 1.00 0.17 O ATOM 1225 CB ILE B 20 -5.751 -4.556 11.217 1.00 0.18 C ATOM 1226 CG1 ILE B 20 -7.157 -4.249 11.734 1.00 0.20 C ATOM 1227 CG2 ILE B 20 -4.703 -4.160 12.246 1.00 0.18 C ATOM 1228 CD1 ILE B 20 -8.249 -4.840 10.879 1.00 0.22 C ATOM 0 H ILE B 20 -3.544 -4.569 10.034 1.00 0.15 H new ATOM 0 HA ILE B 20 -6.130 -4.318 9.117 1.00 0.16 H new ATOM 0 HB ILE B 20 -5.673 -5.630 11.051 1.00 0.18 H new ATOM 0 HG12 ILE B 20 -7.254 -4.631 12.750 1.00 0.20 H new ATOM 0 HG13 ILE B 20 -7.290 -3.168 11.785 1.00 0.20 H new ATOM 0 HG21 ILE B 20 -4.903 -4.675 13.186 1.00 0.18 H new ATOM 0 HG22 ILE B 20 -3.714 -4.438 11.883 1.00 0.18 H new ATOM 0 HG23 ILE B 20 -4.740 -3.083 12.407 1.00 0.18 H new ATOM 0 HD11 ILE B 20 -9.221 -4.585 11.302 1.00 0.22 H new ATOM 0 HD12 ILE B 20 -8.177 -4.439 9.868 1.00 0.22 H new ATOM 0 HD13 ILE B 20 -8.140 -5.924 10.848 1.00 0.22 H new ATOM 1240 N GLU B 21 -4.864 -1.569 10.366 1.00 0.16 N ATOM 1241 CA GLU B 21 -5.036 -0.132 10.514 1.00 0.16 C ATOM 1242 C GLU B 21 -5.445 0.505 9.188 1.00 0.16 C ATOM 1243 O GLU B 21 -6.103 1.537 9.170 1.00 0.18 O ATOM 1244 CB GLU B 21 -3.734 0.485 11.013 1.00 0.18 C ATOM 1245 CG GLU B 21 -3.184 -0.210 12.246 1.00 0.23 C ATOM 1246 CD GLU B 21 -4.053 0.006 13.465 1.00 0.29 C ATOM 1247 OE1 GLU B 21 -3.832 0.999 14.183 1.00 1.06 O ATOM 1248 OE2 GLU B 21 -4.959 -0.820 13.709 1.00 1.07 O ATOM 0 H GLU B 21 -3.920 -1.898 10.571 1.00 0.16 H new ATOM 0 HA GLU B 21 -5.829 0.055 11.238 1.00 0.16 H new ATOM 0 HB2 GLU B 21 -2.990 0.444 10.217 1.00 0.18 H new ATOM 0 HB3 GLU B 21 -3.901 1.538 11.240 1.00 0.18 H new ATOM 0 HG2 GLU B 21 -3.098 -1.279 12.049 1.00 0.23 H new ATOM 0 HG3 GLU B 21 -2.179 0.159 12.450 1.00 0.23 H new ATOM 1255 N LEU B 22 -5.068 -0.130 8.082 1.00 0.14 N ATOM 1256 CA LEU B 22 -5.465 0.334 6.761 1.00 0.15 C ATOM 1257 C LEU B 22 -6.892 -0.094 6.499 1.00 0.15 C ATOM 1258 O LEU B 22 -7.701 0.657 5.956 1.00 0.17 O ATOM 1259 CB LEU B 22 -4.530 -0.229 5.678 1.00 0.15 C ATOM 1260 CG LEU B 22 -5.199 -0.564 4.337 1.00 0.19 C ATOM 1261 CD1 LEU B 22 -4.312 -0.145 3.178 1.00 0.24 C ATOM 1262 CD2 LEU B 22 -5.497 -2.055 4.251 1.00 0.18 C ATOM 0 H LEU B 22 -4.487 -0.968 8.077 1.00 0.14 H new ATOM 0 HA LEU B 22 -5.395 1.421 6.727 1.00 0.15 H new ATOM 0 HB2 LEU B 22 -3.735 0.494 5.497 1.00 0.15 H new ATOM 0 HB3 LEU B 22 -4.057 -1.132 6.064 1.00 0.15 H new ATOM 0 HG LEU B 22 -6.137 -0.012 4.276 1.00 0.19 H new ATOM 0 HD11 LEU B 22 -4.803 -0.391 2.237 1.00 0.24 H new ATOM 0 HD12 LEU B 22 -4.135 0.929 3.225 1.00 0.24 H new ATOM 0 HD13 LEU B 22 -3.360 -0.673 3.239 1.00 0.24 H new ATOM 0 HD21 LEU B 22 -5.971 -2.277 3.295 1.00 0.18 H new ATOM 0 HD22 LEU B 22 -4.567 -2.617 4.334 1.00 0.18 H new ATOM 0 HD23 LEU B 22 -6.167 -2.340 5.063 1.00 0.18 H new ATOM 1274 N ARG B 23 -7.190 -1.317 6.904 1.00 0.14 N ATOM 1275 CA ARG B 23 -8.542 -1.844 6.779 1.00 0.15 C ATOM 1276 C ARG B 23 -9.505 -1.068 7.674 1.00 0.19 C ATOM 1277 O ARG B 23 -10.694 -0.952 7.373 1.00 0.23 O ATOM 1278 CB ARG B 23 -8.564 -3.339 7.107 1.00 0.16 C ATOM 1279 CG ARG B 23 -7.625 -4.144 6.225 1.00 0.16 C ATOM 1280 CD ARG B 23 -7.934 -5.635 6.244 1.00 0.35 C ATOM 1281 NE ARG B 23 -7.748 -6.254 7.556 1.00 0.64 N ATOM 1282 CZ ARG B 23 -8.594 -7.147 8.077 1.00 0.58 C ATOM 1283 NH1 ARG B 23 -9.738 -7.420 7.465 1.00 0.73 N ATOM 1284 NH2 ARG B 23 -8.302 -7.756 9.219 1.00 1.30 N ATOM 0 H ARG B 23 -6.519 -1.962 7.320 1.00 0.14 H new ATOM 0 HA ARG B 23 -8.871 -1.720 5.747 1.00 0.15 H new ATOM 0 HB2 ARG B 23 -8.288 -3.482 8.152 1.00 0.16 H new ATOM 0 HB3 ARG B 23 -9.579 -3.718 6.991 1.00 0.16 H new ATOM 0 HG2 ARG B 23 -7.691 -3.777 5.201 1.00 0.16 H new ATOM 0 HG3 ARG B 23 -6.598 -3.986 6.555 1.00 0.16 H new ATOM 0 HD2 ARG B 23 -8.964 -5.788 5.922 1.00 0.35 H new ATOM 0 HD3 ARG B 23 -7.295 -6.139 5.519 1.00 0.35 H new ATOM 0 HE ARG B 23 -6.928 -5.990 8.103 1.00 0.64 H new ATOM 0 HH11 ARG B 23 -9.975 -6.947 6.593 1.00 0.73 H new ATOM 0 HH12 ARG B 23 -10.381 -8.103 7.866 1.00 0.73 H new ATOM 0 HH21 ARG B 23 -7.429 -7.543 9.702 1.00 1.30 H new ATOM 0 HH22 ARG B 23 -8.950 -8.437 9.614 1.00 1.30 H new ATOM 1298 N ARG B 24 -8.959 -0.520 8.752 1.00 0.18 N ATOM 1299 CA ARG B 24 -9.711 0.306 9.689 1.00 0.20 C ATOM 1300 C ARG B 24 -9.774 1.742 9.185 1.00 0.22 C ATOM 1301 O ARG B 24 -10.730 2.472 9.446 1.00 0.26 O ATOM 1302 CB ARG B 24 -9.031 0.282 11.063 1.00 0.22 C ATOM 1303 CG ARG B 24 -9.023 -1.083 11.732 1.00 0.24 C ATOM 1304 CD ARG B 24 -8.221 -1.059 13.024 1.00 0.27 C ATOM 1305 NE ARG B 24 -8.883 -0.275 14.061 1.00 0.41 N ATOM 1306 CZ ARG B 24 -8.251 0.408 15.017 1.00 0.67 C ATOM 1307 NH1 ARG B 24 -6.924 0.427 15.079 1.00 0.79 N ATOM 1308 NH2 ARG B 24 -8.962 1.064 15.921 1.00 0.87 N ATOM 0 H ARG B 24 -7.977 -0.636 9.003 1.00 0.18 H new ATOM 0 HA ARG B 24 -10.722 -0.091 9.774 1.00 0.20 H new ATOM 0 HB2 ARG B 24 -8.003 0.626 10.953 1.00 0.22 H new ATOM 0 HB3 ARG B 24 -9.536 0.992 11.718 1.00 0.22 H new ATOM 0 HG2 ARG B 24 -10.046 -1.394 11.942 1.00 0.24 H new ATOM 0 HG3 ARG B 24 -8.599 -1.822 11.052 1.00 0.24 H new ATOM 0 HD2 ARG B 24 -8.074 -2.079 13.379 1.00 0.27 H new ATOM 0 HD3 ARG B 24 -7.232 -0.643 12.830 1.00 0.27 H new ATOM 0 HE ARG B 24 -9.903 -0.247 14.055 1.00 0.41 H new ATOM 0 HH11 ARG B 24 -6.374 -0.085 14.390 1.00 0.79 H new ATOM 0 HH12 ARG B 24 -6.455 0.954 15.816 1.00 0.79 H new ATOM 0 HH21 ARG B 24 -9.981 1.043 15.881 1.00 0.87 H new ATOM 0 HH22 ARG B 24 -8.491 1.590 16.657 1.00 0.87 H new ATOM 1322 N ALA B 25 -8.727 2.132 8.471 1.00 0.20 N ATOM 1323 CA ALA B 25 -8.595 3.479 7.935 1.00 0.22 C ATOM 1324 C ALA B 25 -9.605 3.718 6.838 1.00 0.26 C ATOM 1325 O ALA B 25 -10.372 4.678 6.865 1.00 0.28 O ATOM 1326 CB ALA B 25 -7.204 3.651 7.350 1.00 0.23 C ATOM 0 H ALA B 25 -7.942 1.520 8.247 1.00 0.20 H new ATOM 0 HA ALA B 25 -8.765 4.190 8.743 1.00 0.22 H new ATOM 0 HB1 ALA B 25 -7.101 4.659 6.947 1.00 0.23 H new ATOM 0 HB2 ALA B 25 -6.459 3.494 8.130 1.00 0.23 H new ATOM 0 HB3 ALA B 25 -7.052 2.924 6.552 1.00 0.23 H new ATOM 1332 N LEU B 26 -9.605 2.813 5.883 1.00 0.28 N ATOM 1333 CA LEU B 26 -10.408 2.966 4.697 1.00 0.37 C ATOM 1334 C LEU B 26 -11.815 2.446 4.928 1.00 0.41 C ATOM 1335 O LEU B 26 -12.699 3.186 5.359 1.00 0.57 O ATOM 1336 CB LEU B 26 -9.756 2.223 3.531 1.00 0.35 C ATOM 1337 CG LEU B 26 -8.384 2.739 3.104 1.00 0.39 C ATOM 1338 CD1 LEU B 26 -7.698 1.734 2.191 1.00 0.40 C ATOM 1339 CD2 LEU B 26 -8.521 4.077 2.399 1.00 0.52 C ATOM 0 H LEU B 26 -9.051 1.957 5.909 1.00 0.28 H new ATOM 0 HA LEU B 26 -10.473 4.027 4.456 1.00 0.37 H new ATOM 0 HB2 LEU B 26 -9.661 1.171 3.802 1.00 0.35 H new ATOM 0 HB3 LEU B 26 -10.426 2.272 2.673 1.00 0.35 H new ATOM 0 HG LEU B 26 -7.772 2.873 3.996 1.00 0.39 H new ATOM 0 HD11 LEU B 26 -6.721 2.118 1.896 1.00 0.40 H new ATOM 0 HD12 LEU B 26 -7.572 0.789 2.720 1.00 0.40 H new ATOM 0 HD13 LEU B 26 -8.308 1.574 1.302 1.00 0.40 H new ATOM 0 HD21 LEU B 26 -7.535 4.433 2.100 1.00 0.52 H new ATOM 0 HD22 LEU B 26 -9.148 3.960 1.515 1.00 0.52 H new ATOM 0 HD23 LEU B 26 -8.978 4.799 3.075 1.00 0.52 H new ATOM 1351 N ASP B 27 -11.992 1.155 4.694 1.00 0.34 N ATOM 1352 CA ASP B 27 -13.312 0.537 4.686 1.00 0.42 C ATOM 1353 C ASP B 27 -13.178 -0.915 4.238 1.00 0.41 C ATOM 1354 O ASP B 27 -13.931 -1.390 3.398 1.00 0.76 O ATOM 1355 CB ASP B 27 -14.229 1.320 3.727 1.00 0.61 C ATOM 1356 CG ASP B 27 -15.670 0.849 3.715 1.00 0.68 C ATOM 1357 OD1 ASP B 27 -16.341 0.922 4.762 1.00 1.54 O ATOM 1358 OD2 ASP B 27 -16.152 0.447 2.634 1.00 1.34 O ATOM 0 H ASP B 27 -11.228 0.506 4.505 1.00 0.34 H new ATOM 0 HA ASP B 27 -13.749 0.559 5.684 1.00 0.42 H new ATOM 0 HB2 ASP B 27 -14.206 2.375 4.002 1.00 0.61 H new ATOM 0 HB3 ASP B 27 -13.827 1.245 2.717 1.00 0.61 H new ATOM 1363 N ILE B 28 -12.192 -1.617 4.795 1.00 0.22 N ATOM 1364 CA ILE B 28 -11.886 -2.976 4.350 1.00 0.18 C ATOM 1365 C ILE B 28 -12.320 -3.974 5.399 1.00 0.23 C ATOM 1366 O ILE B 28 -11.972 -3.853 6.573 1.00 0.31 O ATOM 1367 CB ILE B 28 -10.382 -3.221 4.024 1.00 0.16 C ATOM 1368 CG1 ILE B 28 -9.893 -2.370 2.845 1.00 0.14 C ATOM 1369 CG2 ILE B 28 -10.159 -4.691 3.707 1.00 0.18 C ATOM 1370 CD1 ILE B 28 -10.056 -0.899 3.048 1.00 0.17 C ATOM 0 H ILE B 28 -11.597 -1.272 5.548 1.00 0.22 H new ATOM 0 HA ILE B 28 -12.439 -3.108 3.420 1.00 0.18 H new ATOM 0 HB ILE B 28 -9.809 -2.929 4.904 1.00 0.16 H new ATOM 0 HG12 ILE B 28 -8.840 -2.587 2.666 1.00 0.14 H new ATOM 0 HG13 ILE B 28 -10.437 -2.665 1.947 1.00 0.14 H new ATOM 0 HG21 ILE B 28 -9.106 -4.859 3.480 1.00 0.18 H new ATOM 0 HG22 ILE B 28 -10.445 -5.296 4.567 1.00 0.18 H new ATOM 0 HG23 ILE B 28 -10.766 -4.974 2.847 1.00 0.18 H new ATOM 0 HD11 ILE B 28 -9.687 -0.368 2.171 1.00 0.17 H new ATOM 0 HD12 ILE B 28 -11.111 -0.667 3.196 1.00 0.17 H new ATOM 0 HD13 ILE B 28 -9.489 -0.588 3.926 1.00 0.17 H new ATOM 1382 N ALA B 29 -13.066 -4.964 4.963 1.00 0.24 N ATOM 1383 CA ALA B 29 -13.625 -5.942 5.866 1.00 0.28 C ATOM 1384 C ALA B 29 -12.835 -7.243 5.838 1.00 0.30 C ATOM 1385 O ALA B 29 -12.478 -7.786 6.880 1.00 0.41 O ATOM 1386 CB ALA B 29 -15.079 -6.165 5.516 1.00 0.29 C ATOM 0 H ALA B 29 -13.300 -5.113 3.981 1.00 0.24 H new ATOM 0 HA ALA B 29 -13.560 -5.564 6.886 1.00 0.28 H new ATOM 0 HB1 ALA B 29 -15.508 -6.903 6.194 1.00 0.29 H new ATOM 0 HB2 ALA B 29 -15.624 -5.226 5.610 1.00 0.29 H new ATOM 0 HB3 ALA B 29 -15.155 -6.527 4.491 1.00 0.29 H new ATOM 1392 N ILE B 30 -12.559 -7.736 4.643 1.00 0.26 N ATOM 1393 CA ILE B 30 -11.767 -8.949 4.484 1.00 0.27 C ATOM 1394 C ILE B 30 -11.005 -8.898 3.161 1.00 0.24 C ATOM 1395 O ILE B 30 -9.887 -9.387 3.061 1.00 0.24 O ATOM 1396 CB ILE B 30 -12.660 -10.220 4.585 1.00 0.30 C ATOM 1397 CG1 ILE B 30 -11.821 -11.510 4.663 1.00 0.34 C ATOM 1398 CG2 ILE B 30 -13.652 -10.284 3.429 1.00 0.28 C ATOM 1399 CD1 ILE B 30 -11.416 -12.095 3.327 1.00 0.34 C ATOM 0 H ILE B 30 -12.871 -7.317 3.767 1.00 0.26 H new ATOM 0 HA ILE B 30 -11.042 -9.007 5.296 1.00 0.27 H new ATOM 0 HB ILE B 30 -13.223 -10.145 5.515 1.00 0.30 H new ATOM 0 HG12 ILE B 30 -10.920 -11.304 5.240 1.00 0.34 H new ATOM 0 HG13 ILE B 30 -12.388 -12.261 5.214 1.00 0.34 H new ATOM 0 HG21 ILE B 30 -14.263 -11.181 3.524 1.00 0.28 H new ATOM 0 HG22 ILE B 30 -14.294 -9.403 3.451 1.00 0.28 H new ATOM 0 HG23 ILE B 30 -13.109 -10.313 2.485 1.00 0.28 H new ATOM 0 HD11 ILE B 30 -10.830 -13.000 3.489 1.00 0.34 H new ATOM 0 HD12 ILE B 30 -12.309 -12.339 2.751 1.00 0.34 H new ATOM 0 HD13 ILE B 30 -10.818 -11.368 2.778 1.00 0.34 H new ATOM 1411 N LYS B 31 -11.615 -8.271 2.162 1.00 0.21 N ATOM 1412 CA LYS B 31 -10.975 -8.052 0.869 1.00 0.19 C ATOM 1413 C LYS B 31 -11.190 -6.608 0.435 1.00 0.16 C ATOM 1414 O LYS B 31 -10.245 -5.888 0.121 1.00 0.15 O ATOM 1415 CB LYS B 31 -11.542 -9.007 -0.192 1.00 0.22 C ATOM 1416 CG LYS B 31 -11.465 -10.473 0.206 1.00 0.29 C ATOM 1417 CD LYS B 31 -11.784 -11.402 -0.954 1.00 0.37 C ATOM 1418 CE LYS B 31 -10.697 -11.372 -2.021 1.00 0.47 C ATOM 1419 NZ LYS B 31 -10.928 -12.399 -3.074 1.00 1.38 N ATOM 0 H LYS B 31 -12.564 -7.901 2.224 1.00 0.21 H new ATOM 0 HA LYS B 31 -9.908 -8.250 0.970 1.00 0.19 H new ATOM 0 HB2 LYS B 31 -12.582 -8.746 -0.385 1.00 0.22 H new ATOM 0 HB3 LYS B 31 -10.998 -8.863 -1.126 1.00 0.22 H new ATOM 0 HG2 LYS B 31 -10.466 -10.694 0.581 1.00 0.29 H new ATOM 0 HG3 LYS B 31 -12.161 -10.663 1.023 1.00 0.29 H new ATOM 0 HD2 LYS B 31 -11.900 -12.420 -0.582 1.00 0.37 H new ATOM 0 HD3 LYS B 31 -12.737 -11.114 -1.398 1.00 0.37 H new ATOM 0 HE2 LYS B 31 -10.664 -10.383 -2.479 1.00 0.47 H new ATOM 0 HE3 LYS B 31 -9.726 -11.541 -1.556 1.00 0.47 H new ATOM 0 HZ1 LYS B 31 -10.168 -12.347 -3.782 1.00 1.38 H new ATOM 0 HZ2 LYS B 31 -10.935 -13.345 -2.641 1.00 1.38 H new ATOM 0 HZ3 LYS B 31 -11.843 -12.223 -3.536 1.00 1.38 H new ATOM 1433 N ASP B 32 -12.447 -6.196 0.480 1.00 0.16 N ATOM 1434 CA ASP B 32 -12.886 -4.869 0.056 1.00 0.15 C ATOM 1435 C ASP B 32 -12.144 -4.323 -1.165 1.00 0.15 C ATOM 1436 O ASP B 32 -12.294 -4.863 -2.255 1.00 0.19 O ATOM 1437 CB ASP B 32 -12.871 -3.903 1.234 1.00 0.15 C ATOM 1438 CG ASP B 32 -14.256 -3.795 1.824 1.00 0.20 C ATOM 1439 OD1 ASP B 32 -15.072 -3.011 1.304 1.00 1.05 O ATOM 1440 OD2 ASP B 32 -14.548 -4.530 2.787 1.00 1.17 O ATOM 0 H ASP B 32 -13.209 -6.784 0.819 1.00 0.16 H new ATOM 0 HA ASP B 32 -13.915 -4.976 -0.287 1.00 0.15 H new ATOM 0 HB2 ASP B 32 -12.169 -4.250 1.992 1.00 0.15 H new ATOM 0 HB3 ASP B 32 -12.527 -2.922 0.907 1.00 0.15 H new ATOM 1445 N SER B 33 -11.360 -3.254 -1.001 1.00 0.14 N ATOM 1446 CA SER B 33 -10.713 -2.600 -2.147 1.00 0.14 C ATOM 1447 C SER B 33 -9.585 -1.665 -1.700 1.00 0.13 C ATOM 1448 O SER B 33 -9.742 -0.929 -0.730 1.00 0.15 O ATOM 1449 CB SER B 33 -11.729 -1.762 -2.932 1.00 0.18 C ATOM 1450 OG SER B 33 -12.848 -2.525 -3.349 1.00 0.24 O ATOM 0 H SER B 33 -11.158 -2.825 -0.098 1.00 0.14 H new ATOM 0 HA SER B 33 -10.304 -3.394 -2.771 1.00 0.14 H new ATOM 0 HB2 SER B 33 -12.069 -0.932 -2.312 1.00 0.18 H new ATOM 0 HB3 SER B 33 -11.242 -1.329 -3.805 1.00 0.18 H new ATOM 0 HG SER B 33 -12.617 -3.477 -3.338 1.00 0.24 H new ATOM 1456 N ILE B 34 -8.453 -1.694 -2.408 1.00 0.13 N ATOM 1457 CA ILE B 34 -7.371 -0.735 -2.172 1.00 0.13 C ATOM 1458 C ILE B 34 -6.730 -0.325 -3.498 1.00 0.13 C ATOM 1459 O ILE B 34 -5.958 -1.082 -4.075 1.00 0.14 O ATOM 1460 CB ILE B 34 -6.246 -1.281 -1.254 1.00 0.15 C ATOM 1461 CG1 ILE B 34 -6.792 -1.825 0.068 1.00 0.15 C ATOM 1462 CG2 ILE B 34 -5.229 -0.189 -0.976 1.00 0.20 C ATOM 1463 CD1 ILE B 34 -7.307 -3.240 -0.028 1.00 0.18 C ATOM 0 H ILE B 34 -8.262 -2.370 -3.148 1.00 0.13 H new ATOM 0 HA ILE B 34 -7.837 0.113 -1.670 1.00 0.13 H new ATOM 0 HB ILE B 34 -5.770 -2.108 -1.780 1.00 0.15 H new ATOM 0 HG12 ILE B 34 -6.005 -1.784 0.821 1.00 0.15 H new ATOM 0 HG13 ILE B 34 -7.597 -1.177 0.413 1.00 0.15 H new ATOM 0 HG21 ILE B 34 -4.442 -0.580 -0.331 1.00 0.20 H new ATOM 0 HG22 ILE B 34 -4.793 0.150 -1.916 1.00 0.20 H new ATOM 0 HG23 ILE B 34 -5.721 0.649 -0.482 1.00 0.20 H new ATOM 0 HD11 ILE B 34 -7.678 -3.559 0.946 1.00 0.18 H new ATOM 0 HD12 ILE B 34 -8.116 -3.284 -0.757 1.00 0.18 H new ATOM 0 HD13 ILE B 34 -6.499 -3.901 -0.343 1.00 0.18 H new ATOM 1475 N GLU B 35 -7.061 0.861 -3.983 1.00 0.13 N ATOM 1476 CA GLU B 35 -6.493 1.375 -5.228 1.00 0.14 C ATOM 1477 C GLU B 35 -5.296 2.261 -4.910 1.00 0.15 C ATOM 1478 O GLU B 35 -5.317 2.995 -3.917 1.00 0.20 O ATOM 1479 CB GLU B 35 -7.558 2.181 -5.991 1.00 0.19 C ATOM 1480 CG GLU B 35 -7.073 2.784 -7.304 1.00 0.28 C ATOM 1481 CD GLU B 35 -8.019 3.841 -7.855 1.00 0.51 C ATOM 1482 OE1 GLU B 35 -8.494 4.688 -7.064 1.00 1.33 O ATOM 1483 OE2 GLU B 35 -8.254 3.861 -9.086 1.00 1.12 O ATOM 0 H GLU B 35 -7.724 1.492 -3.533 1.00 0.13 H new ATOM 0 HA GLU B 35 -6.167 0.542 -5.851 1.00 0.14 H new ATOM 0 HB2 GLU B 35 -8.409 1.532 -6.196 1.00 0.19 H new ATOM 0 HB3 GLU B 35 -7.918 2.984 -5.348 1.00 0.19 H new ATOM 0 HG2 GLU B 35 -6.089 3.228 -7.153 1.00 0.28 H new ATOM 0 HG3 GLU B 35 -6.955 1.990 -8.041 1.00 0.28 H new ATOM 1490 N PHE B 36 -4.247 2.212 -5.729 1.00 0.15 N ATOM 1491 CA PHE B 36 -3.072 3.052 -5.455 1.00 0.17 C ATOM 1492 C PHE B 36 -2.762 4.052 -6.569 1.00 0.22 C ATOM 1493 O PHE B 36 -3.178 3.903 -7.719 1.00 0.28 O ATOM 1494 CB PHE B 36 -1.808 2.241 -5.148 1.00 0.22 C ATOM 1495 CG PHE B 36 -1.979 0.753 -5.135 1.00 0.19 C ATOM 1496 CD1 PHE B 36 -2.558 0.122 -4.051 1.00 1.21 C ATOM 1497 CD2 PHE B 36 -1.538 -0.015 -6.196 1.00 1.21 C ATOM 1498 CE1 PHE B 36 -2.701 -1.246 -4.027 1.00 1.27 C ATOM 1499 CE2 PHE B 36 -1.676 -1.387 -6.177 1.00 1.21 C ATOM 1500 CZ PHE B 36 -2.258 -2.001 -5.092 1.00 0.43 C ATOM 0 H PHE B 36 -4.180 1.624 -6.560 1.00 0.15 H new ATOM 0 HA PHE B 36 -3.357 3.609 -4.563 1.00 0.17 H new ATOM 0 HB2 PHE B 36 -1.047 2.495 -5.886 1.00 0.22 H new ATOM 0 HB3 PHE B 36 -1.425 2.553 -4.176 1.00 0.22 H new ATOM 0 HD1 PHE B 36 -2.902 0.709 -3.213 1.00 1.21 H new ATOM 0 HD2 PHE B 36 -1.081 0.464 -7.049 1.00 1.21 H new ATOM 0 HE1 PHE B 36 -3.159 -1.727 -3.176 1.00 1.27 H new ATOM 0 HE2 PHE B 36 -1.328 -1.978 -7.011 1.00 1.21 H new ATOM 0 HZ PHE B 36 -2.368 -3.075 -5.075 1.00 0.43 H new ATOM 1510 N PHE B 37 -2.029 5.084 -6.170 1.00 0.22 N ATOM 1511 CA PHE B 37 -1.607 6.179 -7.037 1.00 0.30 C ATOM 1512 C PHE B 37 -0.128 6.420 -6.802 1.00 0.25 C ATOM 1513 O PHE B 37 0.282 6.597 -5.668 1.00 0.45 O ATOM 1514 CB PHE B 37 -2.413 7.444 -6.681 1.00 0.48 C ATOM 1515 CG PHE B 37 -2.050 8.686 -7.458 1.00 0.65 C ATOM 1516 CD1 PHE B 37 -0.912 9.414 -7.148 1.00 1.67 C ATOM 1517 CD2 PHE B 37 -2.860 9.133 -8.486 1.00 1.24 C ATOM 1518 CE1 PHE B 37 -0.588 10.556 -7.851 1.00 2.10 C ATOM 1519 CE2 PHE B 37 -2.540 10.276 -9.195 1.00 1.64 C ATOM 1520 CZ PHE B 37 -1.404 10.988 -8.876 1.00 1.80 C ATOM 0 H PHE B 37 -1.703 5.186 -5.209 1.00 0.22 H new ATOM 0 HA PHE B 37 -1.781 5.934 -8.085 1.00 0.30 H new ATOM 0 HB2 PHE B 37 -3.471 7.235 -6.837 1.00 0.48 H new ATOM 0 HB3 PHE B 37 -2.282 7.650 -5.619 1.00 0.48 H new ATOM 0 HD1 PHE B 37 -0.270 9.083 -6.345 1.00 1.67 H new ATOM 0 HD2 PHE B 37 -3.754 8.582 -8.738 1.00 1.24 H new ATOM 0 HE1 PHE B 37 0.303 11.111 -7.599 1.00 2.10 H new ATOM 0 HE2 PHE B 37 -3.180 10.611 -9.998 1.00 1.64 H new ATOM 0 HZ PHE B 37 -1.153 11.882 -9.427 1.00 1.80 H new ATOM 1530 N VAL B 38 0.677 6.403 -7.843 1.00 0.24 N ATOM 1531 CA VAL B 38 2.094 6.653 -7.663 1.00 0.19 C ATOM 1532 C VAL B 38 2.399 8.130 -7.872 1.00 0.20 C ATOM 1533 O VAL B 38 1.890 8.761 -8.799 1.00 0.24 O ATOM 1534 CB VAL B 38 2.968 5.781 -8.591 1.00 0.23 C ATOM 1535 CG1 VAL B 38 2.756 6.117 -10.056 1.00 0.30 C ATOM 1536 CG2 VAL B 38 4.437 5.906 -8.211 1.00 0.25 C ATOM 0 H VAL B 38 0.385 6.223 -8.804 1.00 0.24 H new ATOM 0 HA VAL B 38 2.345 6.376 -6.639 1.00 0.19 H new ATOM 0 HB VAL B 38 2.658 4.745 -8.454 1.00 0.23 H new ATOM 0 HG11 VAL B 38 3.391 5.479 -10.671 1.00 0.30 H new ATOM 0 HG12 VAL B 38 1.711 5.952 -10.320 1.00 0.30 H new ATOM 0 HG13 VAL B 38 3.013 7.162 -10.231 1.00 0.30 H new ATOM 0 HG21 VAL B 38 5.039 5.285 -8.875 1.00 0.25 H new ATOM 0 HG22 VAL B 38 4.750 6.946 -8.304 1.00 0.25 H new ATOM 0 HG23 VAL B 38 4.576 5.576 -7.181 1.00 0.25 H new ATOM 1546 N ASP B 39 3.208 8.677 -6.990 1.00 0.20 N ATOM 1547 CA ASP B 39 3.520 10.096 -7.005 1.00 0.26 C ATOM 1548 C ASP B 39 5.017 10.276 -6.843 1.00 0.29 C ATOM 1549 O ASP B 39 5.558 10.101 -5.746 1.00 0.29 O ATOM 1550 CB ASP B 39 2.770 10.809 -5.878 1.00 0.31 C ATOM 1551 CG ASP B 39 2.895 12.318 -5.946 1.00 0.42 C ATOM 1552 OD1 ASP B 39 3.926 12.860 -5.498 1.00 1.17 O ATOM 1553 OD2 ASP B 39 1.954 12.975 -6.432 1.00 1.18 O ATOM 0 H ASP B 39 3.668 8.156 -6.244 1.00 0.20 H new ATOM 0 HA ASP B 39 3.206 10.532 -7.954 1.00 0.26 H new ATOM 0 HB2 ASP B 39 1.716 10.535 -5.920 1.00 0.31 H new ATOM 0 HB3 ASP B 39 3.152 10.461 -4.918 1.00 0.31 H new ATOM 1558 N GLY B 40 5.682 10.613 -7.936 1.00 0.35 N ATOM 1559 CA GLY B 40 7.129 10.627 -7.951 1.00 0.39 C ATOM 1560 C GLY B 40 7.685 9.229 -7.810 1.00 0.34 C ATOM 1561 O GLY B 40 7.795 8.498 -8.796 1.00 0.42 O ATOM 0 H GLY B 40 5.243 10.878 -8.818 1.00 0.35 H new ATOM 0 HA2 GLY B 40 7.482 11.071 -8.882 1.00 0.39 H new ATOM 0 HA3 GLY B 40 7.499 11.253 -7.139 1.00 0.39 H new ATOM 1565 N ASP B 41 8.012 8.847 -6.583 1.00 0.28 N ATOM 1566 CA ASP B 41 8.484 7.497 -6.300 1.00 0.28 C ATOM 1567 C ASP B 41 7.537 6.802 -5.329 1.00 0.23 C ATOM 1568 O ASP B 41 7.585 5.587 -5.167 1.00 0.29 O ATOM 1569 CB ASP B 41 9.887 7.523 -5.683 1.00 0.37 C ATOM 1570 CG ASP B 41 10.889 8.318 -6.494 1.00 1.17 C ATOM 1571 OD1 ASP B 41 11.443 7.777 -7.472 1.00 1.84 O ATOM 1572 OD2 ASP B 41 11.139 9.491 -6.147 1.00 1.91 O ATOM 0 H ASP B 41 7.959 9.454 -5.765 1.00 0.28 H new ATOM 0 HA ASP B 41 8.517 6.953 -7.244 1.00 0.28 H new ATOM 0 HB2 ASP B 41 9.826 7.945 -4.680 1.00 0.37 H new ATOM 0 HB3 ASP B 41 10.248 6.500 -5.577 1.00 0.37 H new ATOM 1577 N LYS B 42 6.656 7.579 -4.706 1.00 0.20 N ATOM 1578 CA LYS B 42 5.863 7.090 -3.589 1.00 0.21 C ATOM 1579 C LYS B 42 4.526 6.548 -4.071 1.00 0.16 C ATOM 1580 O LYS B 42 4.125 6.782 -5.210 1.00 0.14 O ATOM 1581 CB LYS B 42 5.636 8.196 -2.553 1.00 0.27 C ATOM 1582 CG LYS B 42 4.272 8.861 -2.664 1.00 0.33 C ATOM 1583 CD LYS B 42 4.054 9.882 -1.566 1.00 0.36 C ATOM 1584 CE LYS B 42 4.897 11.117 -1.806 1.00 0.63 C ATOM 1585 NZ LYS B 42 4.326 11.988 -2.864 1.00 0.78 N ATOM 0 H LYS B 42 6.475 8.551 -4.958 1.00 0.20 H new ATOM 0 HA LYS B 42 6.419 6.280 -3.117 1.00 0.21 H new ATOM 0 HB2 LYS B 42 5.746 7.775 -1.554 1.00 0.27 H new ATOM 0 HB3 LYS B 42 6.411 8.954 -2.666 1.00 0.27 H new ATOM 0 HG2 LYS B 42 4.182 9.347 -3.636 1.00 0.33 H new ATOM 0 HG3 LYS B 42 3.492 8.101 -2.614 1.00 0.33 H new ATOM 0 HD2 LYS B 42 3.000 10.158 -1.524 1.00 0.36 H new ATOM 0 HD3 LYS B 42 4.308 9.445 -0.601 1.00 0.36 H new ATOM 0 HE2 LYS B 42 4.982 11.683 -0.878 1.00 0.63 H new ATOM 0 HE3 LYS B 42 5.906 10.817 -2.090 1.00 0.63 H new ATOM 0 HZ1 LYS B 42 4.647 12.966 -2.719 1.00 0.78 H new ATOM 0 HZ2 LYS B 42 4.642 11.654 -3.797 1.00 0.78 H new ATOM 0 HZ3 LYS B 42 3.288 11.954 -2.818 1.00 0.78 H new ATOM 1599 N ILE B 43 3.828 5.853 -3.190 1.00 0.17 N ATOM 1600 CA ILE B 43 2.560 5.235 -3.540 1.00 0.16 C ATOM 1601 C ILE B 43 1.457 5.761 -2.618 1.00 0.18 C ATOM 1602 O ILE B 43 1.690 6.010 -1.438 1.00 0.21 O ATOM 1603 CB ILE B 43 2.626 3.692 -3.436 1.00 0.16 C ATOM 1604 CG1 ILE B 43 3.773 3.126 -4.285 1.00 0.18 C ATOM 1605 CG2 ILE B 43 1.307 3.073 -3.867 1.00 0.15 C ATOM 1606 CD1 ILE B 43 3.562 3.266 -5.779 1.00 0.22 C ATOM 0 H ILE B 43 4.119 5.702 -2.224 1.00 0.17 H new ATOM 0 HA ILE B 43 2.339 5.494 -4.575 1.00 0.16 H new ATOM 0 HB ILE B 43 2.815 3.437 -2.393 1.00 0.16 H new ATOM 0 HG12 ILE B 43 4.698 3.632 -4.010 1.00 0.18 H new ATOM 0 HG13 ILE B 43 3.903 2.071 -4.044 1.00 0.18 H new ATOM 0 HG21 ILE B 43 1.371 1.988 -3.788 1.00 0.15 H new ATOM 0 HG22 ILE B 43 0.507 3.437 -3.223 1.00 0.15 H new ATOM 0 HG23 ILE B 43 1.096 3.349 -4.900 1.00 0.15 H new ATOM 0 HD11 ILE B 43 4.416 2.843 -6.308 1.00 0.22 H new ATOM 0 HD12 ILE B 43 2.655 2.736 -6.070 1.00 0.22 H new ATOM 0 HD13 ILE B 43 3.463 4.321 -6.035 1.00 0.22 H new ATOM 1618 N ILE B 44 0.265 5.942 -3.166 1.00 0.16 N ATOM 1619 CA ILE B 44 -0.851 6.513 -2.423 1.00 0.19 C ATOM 1620 C ILE B 44 -2.059 5.579 -2.456 1.00 0.20 C ATOM 1621 O ILE B 44 -2.657 5.365 -3.512 1.00 0.26 O ATOM 1622 CB ILE B 44 -1.263 7.876 -3.014 1.00 0.21 C ATOM 1623 CG1 ILE B 44 -0.025 8.752 -3.230 1.00 0.22 C ATOM 1624 CG2 ILE B 44 -2.265 8.568 -2.103 1.00 0.30 C ATOM 1625 CD1 ILE B 44 -0.335 10.136 -3.760 1.00 0.25 C ATOM 0 H ILE B 44 0.043 5.699 -4.132 1.00 0.16 H new ATOM 0 HA ILE B 44 -0.522 6.647 -1.393 1.00 0.19 H new ATOM 0 HB ILE B 44 -1.741 7.712 -3.980 1.00 0.21 H new ATOM 0 HG12 ILE B 44 0.509 8.847 -2.285 1.00 0.22 H new ATOM 0 HG13 ILE B 44 0.646 8.249 -3.926 1.00 0.22 H new ATOM 0 HG21 ILE B 44 -2.546 9.529 -2.534 1.00 0.30 H new ATOM 0 HG22 ILE B 44 -3.153 7.944 -1.998 1.00 0.30 H new ATOM 0 HG23 ILE B 44 -1.816 8.728 -1.123 1.00 0.30 H new ATOM 0 HD11 ILE B 44 0.593 10.694 -3.886 1.00 0.25 H new ATOM 0 HD12 ILE B 44 -0.841 10.052 -4.722 1.00 0.25 H new ATOM 0 HD13 ILE B 44 -0.980 10.660 -3.055 1.00 0.25 H new ATOM 1637 N LEU B 45 -2.426 5.042 -1.306 1.00 0.18 N ATOM 1638 CA LEU B 45 -3.504 4.063 -1.224 1.00 0.19 C ATOM 1639 C LEU B 45 -4.826 4.700 -0.809 1.00 0.20 C ATOM 1640 O LEU B 45 -4.872 5.565 0.069 1.00 0.25 O ATOM 1641 CB LEU B 45 -3.144 2.943 -0.249 1.00 0.20 C ATOM 1642 CG LEU B 45 -2.308 1.801 -0.835 1.00 0.19 C ATOM 1643 CD1 LEU B 45 -0.976 2.300 -1.363 1.00 0.19 C ATOM 1644 CD2 LEU B 45 -2.088 0.727 0.212 1.00 0.24 C ATOM 0 H LEU B 45 -1.993 5.266 -0.410 1.00 0.18 H new ATOM 0 HA LEU B 45 -3.630 3.647 -2.223 1.00 0.19 H new ATOM 0 HB2 LEU B 45 -2.598 3.376 0.589 1.00 0.20 H new ATOM 0 HB3 LEU B 45 -4.067 2.525 0.153 1.00 0.20 H new ATOM 0 HG LEU B 45 -2.860 1.378 -1.674 1.00 0.19 H new ATOM 0 HD11 LEU B 45 -0.410 1.463 -1.771 1.00 0.19 H new ATOM 0 HD12 LEU B 45 -1.149 3.038 -2.147 1.00 0.19 H new ATOM 0 HD13 LEU B 45 -0.411 2.758 -0.551 1.00 0.19 H new ATOM 0 HD21 LEU B 45 -1.493 -0.080 -0.214 1.00 0.24 H new ATOM 0 HD22 LEU B 45 -1.562 1.154 1.066 1.00 0.24 H new ATOM 0 HD23 LEU B 45 -3.051 0.334 0.538 1.00 0.24 H new ATOM 1656 N LYS B 46 -5.892 4.242 -1.455 1.00 0.19 N ATOM 1657 CA LYS B 46 -7.242 4.725 -1.202 1.00 0.24 C ATOM 1658 C LYS B 46 -8.241 3.621 -1.538 1.00 0.20 C ATOM 1659 O LYS B 46 -8.057 2.896 -2.513 1.00 0.30 O ATOM 1660 CB LYS B 46 -7.531 5.963 -2.060 1.00 0.38 C ATOM 1661 CG LYS B 46 -8.968 6.454 -1.965 1.00 0.99 C ATOM 1662 CD LYS B 46 -9.384 7.211 -3.220 1.00 1.11 C ATOM 1663 CE LYS B 46 -9.196 6.357 -4.471 1.00 1.14 C ATOM 1664 NZ LYS B 46 -9.733 7.010 -5.694 1.00 1.85 N ATOM 0 H LYS B 46 -5.842 3.520 -2.174 1.00 0.19 H new ATOM 0 HA LYS B 46 -7.335 4.998 -0.151 1.00 0.24 H new ATOM 0 HB2 LYS B 46 -6.861 6.768 -1.757 1.00 0.38 H new ATOM 0 HB3 LYS B 46 -7.303 5.733 -3.101 1.00 0.38 H new ATOM 0 HG2 LYS B 46 -9.634 5.605 -1.813 1.00 0.99 H new ATOM 0 HG3 LYS B 46 -9.075 7.102 -1.095 1.00 0.99 H new ATOM 0 HD2 LYS B 46 -10.428 7.512 -3.136 1.00 1.11 H new ATOM 0 HD3 LYS B 46 -8.795 8.124 -3.309 1.00 1.11 H new ATOM 0 HE2 LYS B 46 -8.135 6.151 -4.610 1.00 1.14 H new ATOM 0 HE3 LYS B 46 -9.691 5.397 -4.329 1.00 1.14 H new ATOM 0 HZ1 LYS B 46 -9.378 6.514 -6.537 1.00 1.85 H new ATOM 0 HZ2 LYS B 46 -10.772 6.970 -5.681 1.00 1.85 H new ATOM 0 HZ3 LYS B 46 -9.425 8.003 -5.721 1.00 1.85 H new ATOM 1678 N LYS B 47 -9.286 3.486 -0.738 1.00 0.22 N ATOM 1679 CA LYS B 47 -10.327 2.504 -1.018 1.00 0.22 C ATOM 1680 C LYS B 47 -11.156 2.989 -2.205 1.00 0.25 C ATOM 1681 O LYS B 47 -11.245 4.188 -2.450 1.00 0.41 O ATOM 1682 CB LYS B 47 -11.209 2.286 0.218 1.00 0.26 C ATOM 1683 CG LYS B 47 -11.811 0.886 0.327 1.00 0.28 C ATOM 1684 CD LYS B 47 -13.284 0.862 -0.019 1.00 0.44 C ATOM 1685 CE LYS B 47 -13.870 -0.517 0.221 1.00 0.51 C ATOM 1686 NZ LYS B 47 -15.352 -0.498 0.306 1.00 0.43 N ATOM 0 H LYS B 47 -9.438 4.039 0.106 1.00 0.22 H new ATOM 0 HA LYS B 47 -9.871 1.546 -1.267 1.00 0.22 H new ATOM 0 HB2 LYS B 47 -10.616 2.484 1.111 1.00 0.26 H new ATOM 0 HB3 LYS B 47 -12.018 3.016 0.205 1.00 0.26 H new ATOM 0 HG2 LYS B 47 -11.274 0.210 -0.338 1.00 0.28 H new ATOM 0 HG3 LYS B 47 -11.673 0.512 1.342 1.00 0.28 H new ATOM 0 HD2 LYS B 47 -13.816 1.598 0.583 1.00 0.44 H new ATOM 0 HD3 LYS B 47 -13.422 1.144 -1.063 1.00 0.44 H new ATOM 0 HE2 LYS B 47 -13.564 -1.184 -0.585 1.00 0.51 H new ATOM 0 HE3 LYS B 47 -13.461 -0.926 1.145 1.00 0.51 H new ATOM 0 HZ1 LYS B 47 -15.690 -1.406 0.685 1.00 0.43 H new ATOM 0 HZ2 LYS B 47 -15.654 0.273 0.935 1.00 0.43 H new ATOM 0 HZ3 LYS B 47 -15.752 -0.348 -0.642 1.00 0.43 H new ATOM 1700 N TYR B 48 -11.754 2.065 -2.934 1.00 0.22 N ATOM 1701 CA TYR B 48 -12.429 2.397 -4.186 1.00 0.23 C ATOM 1702 C TYR B 48 -13.785 3.042 -3.931 1.00 0.25 C ATOM 1703 O TYR B 48 -14.087 4.114 -4.451 1.00 0.29 O ATOM 1704 CB TYR B 48 -12.616 1.128 -5.016 1.00 0.27 C ATOM 1705 CG TYR B 48 -13.317 1.353 -6.340 1.00 0.34 C ATOM 1706 CD1 TYR B 48 -12.606 1.722 -7.477 1.00 1.12 C ATOM 1707 CD2 TYR B 48 -14.695 1.206 -6.449 1.00 0.96 C ATOM 1708 CE1 TYR B 48 -13.249 1.934 -8.682 1.00 1.17 C ATOM 1709 CE2 TYR B 48 -15.342 1.417 -7.647 1.00 1.03 C ATOM 1710 CZ TYR B 48 -14.618 1.783 -8.760 1.00 0.59 C ATOM 1711 OH TYR B 48 -15.266 1.992 -9.957 1.00 0.74 O ATOM 0 H TYR B 48 -11.789 1.076 -2.685 1.00 0.22 H new ATOM 0 HA TYR B 48 -11.809 3.111 -4.728 1.00 0.23 H new ATOM 0 HB2 TYR B 48 -11.639 0.683 -5.205 1.00 0.27 H new ATOM 0 HB3 TYR B 48 -13.187 0.406 -4.433 1.00 0.27 H new ATOM 0 HD1 TYR B 48 -11.535 1.845 -7.417 1.00 1.12 H new ATOM 0 HD2 TYR B 48 -15.269 0.921 -5.579 1.00 0.96 H new ATOM 0 HE1 TYR B 48 -12.683 2.216 -9.557 1.00 1.17 H new ATOM 0 HE2 TYR B 48 -16.413 1.296 -7.713 1.00 1.03 H new ATOM 0 HH TYR B 48 -16.227 1.843 -9.839 1.00 0.74 H new ATOM 1721 N LYS B 49 -14.589 2.358 -3.128 1.00 0.32 N ATOM 1722 CA LYS B 49 -15.971 2.753 -2.870 1.00 0.46 C ATOM 1723 C LYS B 49 -16.106 4.211 -2.387 1.00 0.54 C ATOM 1724 O LYS B 49 -16.983 4.930 -2.867 1.00 0.61 O ATOM 1725 CB LYS B 49 -16.605 1.789 -1.870 1.00 0.61 C ATOM 1726 CG LYS B 49 -18.120 1.814 -1.894 1.00 0.97 C ATOM 1727 CD LYS B 49 -18.715 0.757 -0.984 1.00 2.15 C ATOM 1728 CE LYS B 49 -20.229 0.735 -1.092 1.00 2.61 C ATOM 1729 NZ LYS B 49 -20.833 2.035 -0.702 1.00 2.92 N ATOM 0 H LYS B 49 -14.303 1.512 -2.635 1.00 0.32 H new ATOM 0 HA LYS B 49 -16.503 2.700 -3.820 1.00 0.46 H new ATOM 0 HB2 LYS B 49 -16.261 0.777 -2.083 1.00 0.61 H new ATOM 0 HB3 LYS B 49 -16.260 2.038 -0.866 1.00 0.61 H new ATOM 0 HG2 LYS B 49 -18.472 2.799 -1.586 1.00 0.97 H new ATOM 0 HG3 LYS B 49 -18.470 1.655 -2.914 1.00 0.97 H new ATOM 0 HD2 LYS B 49 -18.314 -0.222 -1.247 1.00 2.15 H new ATOM 0 HD3 LYS B 49 -18.423 0.954 0.048 1.00 2.15 H new ATOM 0 HE2 LYS B 49 -20.516 0.494 -2.116 1.00 2.61 H new ATOM 0 HE3 LYS B 49 -20.627 -0.055 -0.455 1.00 2.61 H new ATOM 0 HZ1 LYS B 49 -21.861 1.921 -0.593 1.00 2.92 H new ATOM 0 HZ2 LYS B 49 -20.422 2.352 0.199 1.00 2.92 H new ATOM 0 HZ3 LYS B 49 -20.639 2.743 -1.439 1.00 2.92 H new ATOM 1743 N PRO B 50 -15.285 4.671 -1.414 1.00 0.60 N ATOM 1744 CA PRO B 50 -15.255 6.083 -1.029 1.00 0.82 C ATOM 1745 C PRO B 50 -14.646 6.946 -2.129 1.00 0.82 C ATOM 1746 O PRO B 50 -13.571 6.642 -2.653 1.00 1.57 O ATOM 1747 CB PRO B 50 -14.368 6.117 0.226 1.00 1.06 C ATOM 1748 CG PRO B 50 -14.234 4.696 0.654 1.00 0.89 C ATOM 1749 CD PRO B 50 -14.362 3.879 -0.595 1.00 0.53 C ATOM 0 HA PRO B 50 -16.256 6.477 -0.853 1.00 0.82 H new ATOM 0 HB2 PRO B 50 -13.394 6.555 0.007 1.00 1.06 H new ATOM 0 HB3 PRO B 50 -14.821 6.723 1.011 1.00 1.06 H new ATOM 0 HG2 PRO B 50 -13.273 4.522 1.138 1.00 0.89 H new ATOM 0 HG3 PRO B 50 -15.007 4.431 1.376 1.00 0.89 H new ATOM 0 HD2 PRO B 50 -13.400 3.743 -1.089 1.00 0.53 H new ATOM 0 HD3 PRO B 50 -14.758 2.885 -0.388 1.00 0.53 H new ATOM 1757 N HIS B 51 -15.331 8.018 -2.479 1.00 0.97 N ATOM 1758 CA HIS B 51 -14.873 8.884 -3.552 1.00 1.13 C ATOM 1759 C HIS B 51 -14.043 10.034 -3.004 1.00 1.69 C ATOM 1760 O HIS B 51 -14.485 10.776 -2.125 1.00 2.46 O ATOM 1761 CB HIS B 51 -16.059 9.407 -4.367 1.00 2.12 C ATOM 1762 CG HIS B 51 -16.687 8.362 -5.240 1.00 2.92 C ATOM 1763 ND1 HIS B 51 -16.619 8.393 -6.613 1.00 3.83 N ATOM 1764 CD2 HIS B 51 -17.393 7.249 -4.928 1.00 3.53 C ATOM 1765 CE1 HIS B 51 -17.254 7.349 -7.110 1.00 4.68 C ATOM 1766 NE2 HIS B 51 -17.733 6.637 -6.109 1.00 4.55 N ATOM 0 H HIS B 51 -16.203 8.310 -2.039 1.00 0.97 H new ATOM 0 HA HIS B 51 -14.237 8.297 -4.215 1.00 1.13 H new ATOM 0 HB2 HIS B 51 -16.813 9.802 -3.686 1.00 2.12 H new ATOM 0 HB3 HIS B 51 -15.725 10.237 -4.989 1.00 2.12 H new ATOM 0 HD2 HIS B 51 -17.642 6.907 -3.935 1.00 3.53 H new ATOM 0 HE1 HIS B 51 -17.363 7.117 -8.159 1.00 4.68 H new ATOM 0 HE2 HIS B 51 -18.268 5.773 -6.197 1.00 4.55 H new ATOM 1775 N GLY B 52 -12.828 10.157 -3.513 1.00 2.10 N ATOM 1776 CA GLY B 52 -11.943 11.217 -3.084 1.00 3.10 C ATOM 1777 C GLY B 52 -10.937 11.577 -4.153 1.00 2.89 C ATOM 1778 O GLY B 52 -11.310 11.851 -5.296 1.00 3.12 O ATOM 0 H GLY B 52 -12.437 9.536 -4.221 1.00 2.10 H new ATOM 0 HA2 GLY B 52 -12.530 12.098 -2.826 1.00 3.10 H new ATOM 0 HA3 GLY B 52 -11.418 10.908 -2.180 1.00 3.10 H new ATOM 1782 N VAL B 53 -9.664 11.560 -3.795 1.00 2.81 N ATOM 1783 CA VAL B 53 -8.603 11.893 -4.733 1.00 2.74 C ATOM 1784 C VAL B 53 -8.306 10.712 -5.662 1.00 2.07 C ATOM 1785 O VAL B 53 -8.396 9.545 -5.259 1.00 1.96 O ATOM 1786 CB VAL B 53 -7.314 12.319 -3.990 1.00 3.42 C ATOM 1787 CG1 VAL B 53 -6.761 11.177 -3.151 1.00 3.57 C ATOM 1788 CG2 VAL B 53 -6.266 12.830 -4.969 1.00 3.62 C ATOM 0 H VAL B 53 -9.339 11.318 -2.859 1.00 2.81 H new ATOM 0 HA VAL B 53 -8.948 12.734 -5.334 1.00 2.74 H new ATOM 0 HB VAL B 53 -7.573 13.135 -3.315 1.00 3.42 H new ATOM 0 HG11 VAL B 53 -5.856 11.506 -2.641 1.00 3.57 H new ATOM 0 HG12 VAL B 53 -7.504 10.875 -2.413 1.00 3.57 H new ATOM 0 HG13 VAL B 53 -6.526 10.331 -3.797 1.00 3.57 H new ATOM 0 HG21 VAL B 53 -5.370 13.123 -4.422 1.00 3.62 H new ATOM 0 HG22 VAL B 53 -6.016 12.042 -5.679 1.00 3.62 H new ATOM 0 HG23 VAL B 53 -6.661 13.692 -5.507 1.00 3.62 H new ATOM 1798 N CYS B 54 -7.971 11.023 -6.904 1.00 1.96 N ATOM 1799 CA CYS B 54 -7.650 10.014 -7.897 1.00 1.58 C ATOM 1800 C CYS B 54 -6.937 10.657 -9.083 1.00 2.13 C ATOM 1801 O CYS B 54 -5.710 10.479 -9.207 1.00 2.76 O ATOM 1802 CB CYS B 54 -8.918 9.288 -8.362 1.00 1.96 C ATOM 1803 SG CYS B 54 -10.269 10.386 -8.846 1.00 2.82 S ATOM 1804 OXT CYS B 54 -7.603 11.365 -9.863 1.00 2.59 O ATOM 0 H CYS B 54 -7.914 11.981 -7.250 1.00 1.96 H new ATOM 0 HA CYS B 54 -6.986 9.278 -7.444 1.00 1.58 H new ATOM 0 HB2 CYS B 54 -8.666 8.647 -9.207 1.00 1.96 H new ATOM 0 HB3 CYS B 54 -9.265 8.637 -7.560 1.00 1.96 H new ATOM 0 HG CYS B 54 -9.792 11.390 -9.520 1.00 2.82 H new TER 1810 CYS B 54