USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 819 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 99 SER OG : rot 93:sc= 1.37 USER MOD Set 1.2: A 105 HIS : no HE2:sc= 1.05 K(o=2.4,f=-6.1!) USER MOD Set 2.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 155:sc= 1.35 (180deg=0.362) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -137:sc= -0.0366 (180deg=-0.259) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot 180:sc= -0.142 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 27 ASN : amide:sc= -3.23! K(o=-3.2!,f=-0.35) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -72:sc= 1.34 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.386 USER MOD Single : A 44 SER OG : rot 77:sc= 1.2 USER MOD Single : A 46 MET CE :methyl 134:sc= -1.8! (180deg=-4.89!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -164:sc= -0.0506 (180deg=-0.399) USER MOD Single : A 57 SER OG : rot 134:sc= 0.356! USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 1.07 K(o=1.1,f=-0.0028) USER MOD Single : A 90 MET CE :methyl -116:sc= -0.872 (180deg=-1.06) USER MOD Single : A 96 SER OG : rot 104:sc= 1.23 USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 106 HIS : no HE2:sc= 0.955 K(o=0.96,f=-5.9!) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.0085) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 35.315 4.835 35.985 1.00 72.24 N ATOM 2 CA MET A 1 35.700 4.069 34.778 1.00 0.02 C ATOM 3 C MET A 1 34.730 4.357 33.641 1.00 51.40 C ATOM 4 O MET A 1 33.536 4.077 33.750 1.00 54.52 O ATOM 5 CB MET A 1 35.720 2.560 35.058 1.00 43.03 C ATOM 6 CG MET A 1 36.755 2.130 36.085 1.00 33.12 C ATOM 7 SD MET A 1 36.287 2.546 37.773 1.00 24.32 S ATOM 8 CE MET A 1 37.762 2.053 38.661 1.00 72.35 C ATOM 0 H1 MET A 1 35.674 4.351 36.833 1.00 72.24 H new ATOM 0 H2 MET A 1 35.721 5.791 35.934 1.00 72.24 H new ATOM 0 H3 MET A 1 34.278 4.902 36.038 1.00 72.24 H new ATOM 0 HA MET A 1 36.704 4.383 34.493 1.00 0.02 H new ATOM 0 HB2 MET A 1 34.733 2.253 35.403 1.00 43.03 H new ATOM 0 HB3 MET A 1 35.910 2.031 34.124 1.00 43.03 H new ATOM 0 HG2 MET A 1 36.907 1.053 36.011 1.00 33.12 H new ATOM 0 HG3 MET A 1 37.709 2.603 35.851 1.00 33.12 H new ATOM 0 HE1 MET A 1 37.629 2.248 39.725 1.00 72.35 H new ATOM 0 HE2 MET A 1 37.941 0.989 38.507 1.00 72.35 H new ATOM 0 HE3 MET A 1 38.616 2.621 38.292 1.00 72.35 H new ATOM 20 N ALA A 2 35.240 4.915 32.553 1.00 63.33 N ATOM 21 CA ALA A 2 34.412 5.242 31.403 1.00 52.41 C ATOM 22 C ALA A 2 35.178 5.028 30.105 1.00 25.15 C ATOM 23 O ALA A 2 36.013 5.849 29.719 1.00 13.23 O ATOM 24 CB ALA A 2 33.917 6.679 31.492 1.00 34.30 C ATOM 0 H ALA A 2 36.226 5.151 32.443 1.00 63.33 H new ATOM 0 HA ALA A 2 33.550 4.575 31.407 1.00 52.41 H new ATOM 0 HB1 ALA A 2 33.299 6.906 30.623 1.00 34.30 H new ATOM 0 HB2 ALA A 2 33.327 6.805 32.400 1.00 34.30 H new ATOM 0 HB3 ALA A 2 34.770 7.357 31.517 1.00 34.30 H new ATOM 30 N MET A 3 34.904 3.912 29.450 1.00 61.21 N ATOM 31 CA MET A 3 35.543 3.590 28.182 1.00 65.02 C ATOM 32 C MET A 3 34.594 3.893 27.030 1.00 54.25 C ATOM 33 O MET A 3 34.863 4.774 26.215 1.00 64.12 O ATOM 34 CB MET A 3 35.973 2.118 28.135 1.00 43.30 C ATOM 35 CG MET A 3 37.119 1.766 29.078 1.00 71.44 C ATOM 36 SD MET A 3 36.642 1.764 30.822 1.00 11.03 S ATOM 37 CE MET A 3 38.187 1.279 31.590 1.00 62.24 C ATOM 0 H MET A 3 34.240 3.210 29.776 1.00 61.21 H new ATOM 0 HA MET A 3 36.437 4.207 28.086 1.00 65.02 H new ATOM 0 HB2 MET A 3 35.114 1.493 28.378 1.00 43.30 H new ATOM 0 HB3 MET A 3 36.269 1.871 27.115 1.00 43.30 H new ATOM 0 HG2 MET A 3 37.507 0.782 28.814 1.00 71.44 H new ATOM 0 HG3 MET A 3 37.931 2.478 28.932 1.00 71.44 H new ATOM 0 HE1 MET A 3 38.057 1.232 32.671 1.00 62.24 H new ATOM 0 HE2 MET A 3 38.487 0.299 31.218 1.00 62.24 H new ATOM 0 HE3 MET A 3 38.958 2.010 31.349 1.00 62.24 H new ATOM 47 N LYS A 4 33.478 3.162 26.986 1.00 71.24 N ATOM 48 CA LYS A 4 32.431 3.366 25.980 1.00 4.50 C ATOM 49 C LYS A 4 32.943 3.072 24.568 1.00 64.04 C ATOM 50 O LYS A 4 33.637 3.883 23.952 1.00 23.44 O ATOM 51 CB LYS A 4 31.857 4.786 26.077 1.00 23.13 C ATOM 52 CG LYS A 4 30.748 5.075 25.082 1.00 50.22 C ATOM 53 CD LYS A 4 29.937 6.290 25.498 1.00 13.02 C ATOM 54 CE LYS A 4 28.853 6.623 24.486 1.00 11.22 C ATOM 55 NZ LYS A 4 29.398 7.320 23.292 1.00 12.32 N ATOM 0 H LYS A 4 33.274 2.412 27.646 1.00 71.24 H new ATOM 0 HA LYS A 4 31.628 2.659 26.186 1.00 4.50 H new ATOM 0 HB2 LYS A 4 31.476 4.944 27.086 1.00 23.13 H new ATOM 0 HB3 LYS A 4 32.663 5.504 25.925 1.00 23.13 H new ATOM 0 HG2 LYS A 4 31.177 5.242 24.094 1.00 50.22 H new ATOM 0 HG3 LYS A 4 30.093 4.208 25.002 1.00 50.22 H new ATOM 0 HD2 LYS A 4 29.481 6.106 26.471 1.00 13.02 H new ATOM 0 HD3 LYS A 4 30.601 7.147 25.614 1.00 13.02 H new ATOM 0 HE2 LYS A 4 28.355 5.705 24.174 1.00 11.22 H new ATOM 0 HE3 LYS A 4 28.097 7.251 24.958 1.00 11.22 H new ATOM 0 HZ1 LYS A 4 28.625 7.528 22.628 1.00 12.32 H new ATOM 0 HZ2 LYS A 4 29.851 8.209 23.586 1.00 12.32 H new ATOM 0 HZ3 LYS A 4 30.100 6.711 22.825 1.00 12.32 H new ATOM 69 N ASP A 5 32.598 1.899 24.065 1.00 72.41 N ATOM 70 CA ASP A 5 33.051 1.464 22.751 1.00 72.50 C ATOM 71 C ASP A 5 31.892 1.465 21.748 1.00 61.03 C ATOM 72 O ASP A 5 30.723 1.406 22.136 1.00 23.01 O ATOM 73 CB ASP A 5 33.677 0.070 22.861 1.00 51.45 C ATOM 74 CG ASP A 5 34.244 -0.427 21.548 1.00 75.34 C ATOM 75 OD1 ASP A 5 35.255 0.139 21.078 1.00 65.11 O ATOM 76 OD2 ASP A 5 33.680 -1.382 20.978 1.00 43.13 O ATOM 0 H ASP A 5 32.003 1.226 24.548 1.00 72.41 H new ATOM 0 HA ASP A 5 33.804 2.162 22.385 1.00 72.50 H new ATOM 0 HB2 ASP A 5 34.470 0.091 23.608 1.00 51.45 H new ATOM 0 HB3 ASP A 5 32.924 -0.634 23.215 1.00 51.45 H new ATOM 81 N VAL A 6 32.220 1.557 20.464 1.00 51.11 N ATOM 82 CA VAL A 6 31.219 1.567 19.409 1.00 55.54 C ATOM 83 C VAL A 6 31.645 0.644 18.269 1.00 53.04 C ATOM 84 O VAL A 6 32.838 0.516 17.979 1.00 62.12 O ATOM 85 CB VAL A 6 30.983 3.002 18.870 1.00 53.33 C ATOM 86 CG1 VAL A 6 32.249 3.574 18.242 1.00 74.13 C ATOM 87 CG2 VAL A 6 29.832 3.028 17.878 1.00 40.53 C ATOM 0 H VAL A 6 33.181 1.626 20.129 1.00 51.11 H new ATOM 0 HA VAL A 6 30.282 1.206 19.833 1.00 55.54 H new ATOM 0 HB VAL A 6 30.717 3.632 19.718 1.00 53.33 H new ATOM 0 HG11 VAL A 6 32.050 4.581 17.874 1.00 74.13 H new ATOM 0 HG12 VAL A 6 33.041 3.611 18.990 1.00 74.13 H new ATOM 0 HG13 VAL A 6 32.562 2.940 17.413 1.00 74.13 H new ATOM 0 HG21 VAL A 6 29.687 4.046 17.515 1.00 40.53 H new ATOM 0 HG22 VAL A 6 30.061 2.372 17.038 1.00 40.53 H new ATOM 0 HG23 VAL A 6 28.921 2.685 18.368 1.00 40.53 H new ATOM 97 N VAL A 7 30.676 -0.003 17.634 1.00 44.14 N ATOM 98 CA VAL A 7 30.963 -0.922 16.541 1.00 50.04 C ATOM 99 C VAL A 7 30.452 -0.369 15.215 1.00 71.10 C ATOM 100 O VAL A 7 29.248 -0.171 15.038 1.00 25.52 O ATOM 101 CB VAL A 7 30.332 -2.310 16.783 1.00 44.01 C ATOM 102 CG1 VAL A 7 30.747 -3.290 15.693 1.00 33.22 C ATOM 103 CG2 VAL A 7 30.713 -2.841 18.156 1.00 3.54 C ATOM 0 H VAL A 7 29.685 0.092 17.857 1.00 44.14 H new ATOM 0 HA VAL A 7 32.047 -1.031 16.498 1.00 50.04 H new ATOM 0 HB VAL A 7 29.248 -2.201 16.747 1.00 44.01 H new ATOM 0 HG11 VAL A 7 30.291 -4.261 15.884 1.00 33.22 H new ATOM 0 HG12 VAL A 7 30.416 -2.918 14.724 1.00 33.22 H new ATOM 0 HG13 VAL A 7 31.832 -3.393 15.690 1.00 33.22 H new ATOM 0 HG21 VAL A 7 30.258 -3.820 18.307 1.00 3.54 H new ATOM 0 HG22 VAL A 7 31.797 -2.930 18.224 1.00 3.54 H new ATOM 0 HG23 VAL A 7 30.357 -2.154 18.924 1.00 3.54 H new ATOM 113 N ASP A 8 31.365 -0.105 14.296 1.00 12.14 N ATOM 114 CA ASP A 8 30.996 0.310 12.949 1.00 20.55 C ATOM 115 C ASP A 8 32.068 -0.113 11.961 1.00 64.32 C ATOM 116 O ASP A 8 33.180 0.414 11.976 1.00 22.02 O ATOM 117 CB ASP A 8 30.784 1.824 12.866 1.00 55.31 C ATOM 118 CG ASP A 8 30.196 2.248 11.532 1.00 20.12 C ATOM 119 OD1 ASP A 8 28.958 2.147 11.367 1.00 11.31 O ATOM 120 OD2 ASP A 8 30.960 2.683 10.641 1.00 73.12 O ATOM 0 H ASP A 8 32.370 -0.170 14.456 1.00 12.14 H new ATOM 0 HA ASP A 8 30.054 -0.178 12.697 1.00 20.55 H new ATOM 0 HB2 ASP A 8 30.121 2.141 13.671 1.00 55.31 H new ATOM 0 HB3 ASP A 8 31.736 2.332 13.019 1.00 55.31 H new ATOM 125 N LYS A 9 31.741 -1.078 11.117 1.00 34.13 N ATOM 126 CA LYS A 9 32.680 -1.563 10.125 1.00 61.33 C ATOM 127 C LYS A 9 32.503 -0.790 8.825 1.00 0.14 C ATOM 128 O LYS A 9 33.423 -0.099 8.375 1.00 13.32 O ATOM 129 CB LYS A 9 32.481 -3.060 9.883 1.00 22.11 C ATOM 130 CG LYS A 9 33.575 -3.690 9.041 1.00 65.53 C ATOM 131 CD LYS A 9 34.916 -3.634 9.753 1.00 25.45 C ATOM 132 CE LYS A 9 36.025 -4.219 8.900 1.00 43.04 C ATOM 133 NZ LYS A 9 35.748 -5.628 8.517 1.00 33.43 N ATOM 0 H LYS A 9 30.832 -1.540 11.101 1.00 34.13 H new ATOM 0 HA LYS A 9 33.693 -1.408 10.496 1.00 61.33 H new ATOM 0 HB2 LYS A 9 32.434 -3.572 10.844 1.00 22.11 H new ATOM 0 HB3 LYS A 9 31.521 -3.216 9.391 1.00 22.11 H new ATOM 0 HG2 LYS A 9 33.319 -4.727 8.823 1.00 65.53 H new ATOM 0 HG3 LYS A 9 33.646 -3.172 8.085 1.00 65.53 H new ATOM 0 HD2 LYS A 9 35.154 -2.600 10.001 1.00 25.45 H new ATOM 0 HD3 LYS A 9 34.852 -4.181 10.694 1.00 25.45 H new ATOM 0 HE2 LYS A 9 36.147 -3.616 8.000 1.00 43.04 H new ATOM 0 HE3 LYS A 9 36.967 -4.170 9.446 1.00 43.04 H new ATOM 0 HZ1 LYS A 9 36.616 -6.192 8.619 1.00 33.43 H new ATOM 0 HZ2 LYS A 9 35.007 -6.017 9.135 1.00 33.43 H new ATOM 0 HZ3 LYS A 9 35.427 -5.662 7.528 1.00 33.43 H new ATOM 147 N CYS A 10 31.316 -0.895 8.239 1.00 61.51 N ATOM 148 CA CYS A 10 30.994 -0.175 7.017 1.00 4.41 C ATOM 149 C CYS A 10 29.492 -0.221 6.762 1.00 64.42 C ATOM 150 O CYS A 10 28.870 -1.282 6.855 1.00 14.42 O ATOM 151 CB CYS A 10 31.754 -0.764 5.824 1.00 72.14 C ATOM 152 SG CYS A 10 31.570 0.182 4.295 1.00 34.21 S ATOM 0 H CYS A 10 30.557 -1.476 8.595 1.00 61.51 H new ATOM 0 HA CYS A 10 31.300 0.864 7.138 1.00 4.41 H new ATOM 0 HB2 CYS A 10 32.813 -0.826 6.076 1.00 72.14 H new ATOM 0 HB3 CYS A 10 31.407 -1.783 5.653 1.00 72.14 H new ATOM 0 HG CYS A 10 32.249 -0.391 3.346 1.00 34.21 H new ATOM 158 N SER A 11 28.916 0.930 6.446 1.00 44.22 N ATOM 159 CA SER A 11 27.486 1.032 6.202 1.00 4.35 C ATOM 160 C SER A 11 27.187 0.836 4.715 1.00 52.14 C ATOM 161 O SER A 11 27.437 1.721 3.893 1.00 52.03 O ATOM 162 CB SER A 11 26.968 2.394 6.689 1.00 55.35 C ATOM 163 OG SER A 11 25.568 2.529 6.488 1.00 1.54 O ATOM 0 H SER A 11 29.422 1.811 6.352 1.00 44.22 H new ATOM 0 HA SER A 11 26.972 0.248 6.758 1.00 4.35 H new ATOM 0 HB2 SER A 11 27.196 2.512 7.748 1.00 55.35 H new ATOM 0 HB3 SER A 11 27.490 3.192 6.160 1.00 55.35 H new ATOM 0 HG SER A 11 25.274 3.406 6.811 1.00 1.54 H new ATOM 169 N THR A 12 26.683 -0.341 4.374 1.00 21.32 N ATOM 170 CA THR A 12 26.311 -0.641 3.004 1.00 14.30 C ATOM 171 C THR A 12 24.787 -0.657 2.863 1.00 65.22 C ATOM 172 O THR A 12 24.101 -1.490 3.460 1.00 23.13 O ATOM 173 CB THR A 12 26.925 -1.984 2.536 1.00 21.13 C ATOM 174 OG1 THR A 12 26.451 -2.329 1.228 1.00 53.14 O ATOM 175 CG2 THR A 12 26.618 -3.112 3.514 1.00 20.02 C ATOM 0 H THR A 12 26.523 -1.104 5.031 1.00 21.32 H new ATOM 0 HA THR A 12 26.712 0.143 2.361 1.00 14.30 H new ATOM 0 HB THR A 12 28.006 -1.851 2.500 1.00 21.13 H new ATOM 0 HG1 THR A 12 26.851 -3.179 0.949 1.00 53.14 H new ATOM 0 HG21 THR A 12 27.065 -4.038 3.153 1.00 20.02 H new ATOM 0 HG22 THR A 12 27.031 -2.868 4.493 1.00 20.02 H new ATOM 0 HG23 THR A 12 25.538 -3.238 3.597 1.00 20.02 H new ATOM 183 N LYS A 13 24.260 0.288 2.095 1.00 10.32 N ATOM 184 CA LYS A 13 22.821 0.437 1.941 1.00 64.32 C ATOM 185 C LYS A 13 22.508 1.234 0.679 1.00 62.23 C ATOM 186 O LYS A 13 23.347 1.997 0.197 1.00 23.44 O ATOM 187 CB LYS A 13 22.244 1.133 3.180 1.00 53.01 C ATOM 188 CG LYS A 13 20.725 1.187 3.229 1.00 22.21 C ATOM 189 CD LYS A 13 20.243 1.736 4.562 1.00 54.31 C ATOM 190 CE LYS A 13 20.605 0.802 5.706 1.00 24.12 C ATOM 191 NZ LYS A 13 20.340 1.411 7.037 1.00 20.10 N ATOM 0 H LYS A 13 24.811 0.965 1.567 1.00 10.32 H new ATOM 0 HA LYS A 13 22.362 -0.547 1.844 1.00 64.32 H new ATOM 0 HB2 LYS A 13 22.605 0.618 4.070 1.00 53.01 H new ATOM 0 HB3 LYS A 13 22.632 2.151 3.222 1.00 53.01 H new ATOM 0 HG2 LYS A 13 20.353 1.813 2.418 1.00 22.21 H new ATOM 0 HG3 LYS A 13 20.317 0.188 3.074 1.00 22.21 H new ATOM 0 HD2 LYS A 13 20.686 2.717 4.736 1.00 54.31 H new ATOM 0 HD3 LYS A 13 19.162 1.875 4.531 1.00 54.31 H new ATOM 0 HE2 LYS A 13 20.035 -0.122 5.612 1.00 24.12 H new ATOM 0 HE3 LYS A 13 21.659 0.535 5.634 1.00 24.12 H new ATOM 0 HZ1 LYS A 13 20.602 0.738 7.785 1.00 20.10 H new ATOM 0 HZ2 LYS A 13 20.903 2.279 7.140 1.00 20.10 H new ATOM 0 HZ3 LYS A 13 19.329 1.642 7.118 1.00 20.10 H new ATOM 205 N GLY A 14 21.312 1.055 0.141 1.00 21.25 N ATOM 206 CA GLY A 14 20.937 1.746 -1.075 1.00 72.43 C ATOM 207 C GLY A 14 20.648 0.788 -2.209 1.00 33.23 C ATOM 208 O GLY A 14 20.446 1.203 -3.350 1.00 42.01 O ATOM 0 H GLY A 14 20.593 0.442 0.525 1.00 21.25 H new ATOM 0 HA2 GLY A 14 20.056 2.359 -0.886 1.00 72.43 H new ATOM 0 HA3 GLY A 14 21.739 2.423 -1.369 1.00 72.43 H new ATOM 212 N CYS A 15 20.618 -0.499 -1.895 1.00 24.41 N ATOM 213 CA CYS A 15 20.358 -1.520 -2.896 1.00 21.12 C ATOM 214 C CYS A 15 18.913 -2.001 -2.784 1.00 2.04 C ATOM 215 O CYS A 15 18.618 -3.188 -2.944 1.00 24.23 O ATOM 216 CB CYS A 15 21.325 -2.693 -2.717 1.00 24.21 C ATOM 217 SG CYS A 15 21.385 -3.821 -4.134 1.00 70.20 S ATOM 0 H CYS A 15 20.771 -0.860 -0.953 1.00 24.41 H new ATOM 0 HA CYS A 15 20.511 -1.093 -3.887 1.00 21.12 H new ATOM 0 HB2 CYS A 15 22.326 -2.301 -2.535 1.00 24.21 H new ATOM 0 HB3 CYS A 15 21.037 -3.256 -1.829 1.00 24.21 H new ATOM 0 HG CYS A 15 22.230 -4.778 -3.891 1.00 70.20 H new ATOM 223 N ALA A 16 18.014 -1.066 -2.522 1.00 61.44 N ATOM 224 CA ALA A 16 16.601 -1.375 -2.394 1.00 11.33 C ATOM 225 C ALA A 16 15.752 -0.154 -2.704 1.00 63.23 C ATOM 226 O ALA A 16 16.134 0.978 -2.387 1.00 42.15 O ATOM 227 CB ALA A 16 16.291 -1.888 -0.994 1.00 11.04 C ATOM 0 H ALA A 16 18.241 -0.080 -2.393 1.00 61.44 H new ATOM 0 HA ALA A 16 16.359 -2.156 -3.115 1.00 11.33 H new ATOM 0 HB1 ALA A 16 15.228 -2.114 -0.917 1.00 11.04 H new ATOM 0 HB2 ALA A 16 16.869 -2.792 -0.801 1.00 11.04 H new ATOM 0 HB3 ALA A 16 16.554 -1.126 -0.261 1.00 11.04 H new ATOM 233 N ILE A 17 14.614 -0.385 -3.340 1.00 21.24 N ATOM 234 CA ILE A 17 13.656 0.675 -3.589 1.00 32.30 C ATOM 235 C ILE A 17 12.795 0.870 -2.347 1.00 43.14 C ATOM 236 O ILE A 17 12.156 -0.068 -1.862 1.00 5.23 O ATOM 237 CB ILE A 17 12.776 0.391 -4.834 1.00 41.14 C ATOM 238 CG1 ILE A 17 11.733 1.502 -5.023 1.00 62.31 C ATOM 239 CG2 ILE A 17 12.104 -0.975 -4.739 1.00 3.12 C ATOM 240 CD1 ILE A 17 10.909 1.361 -6.287 1.00 60.11 C ATOM 0 H ILE A 17 14.333 -1.300 -3.693 1.00 21.24 H new ATOM 0 HA ILE A 17 14.206 1.591 -3.803 1.00 32.30 H new ATOM 0 HB ILE A 17 13.427 0.378 -5.708 1.00 41.14 H new ATOM 0 HG12 ILE A 17 11.063 1.508 -4.163 1.00 62.31 H new ATOM 0 HG13 ILE A 17 12.242 2.466 -5.038 1.00 62.31 H new ATOM 0 HG21 ILE A 17 11.495 -1.143 -5.627 1.00 3.12 H new ATOM 0 HG22 ILE A 17 12.866 -1.751 -4.669 1.00 3.12 H new ATOM 0 HG23 ILE A 17 11.470 -1.008 -3.853 1.00 3.12 H new ATOM 0 HD11 ILE A 17 10.195 2.182 -6.350 1.00 60.11 H new ATOM 0 HD12 ILE A 17 11.568 1.386 -7.155 1.00 60.11 H new ATOM 0 HD13 ILE A 17 10.371 0.413 -6.267 1.00 60.11 H new ATOM 252 N ASP A 18 12.816 2.073 -1.808 1.00 65.33 N ATOM 253 CA ASP A 18 12.148 2.350 -0.551 1.00 30.31 C ATOM 254 C ASP A 18 11.532 3.742 -0.578 1.00 54.10 C ATOM 255 O ASP A 18 11.835 4.547 -1.459 1.00 12.35 O ATOM 256 CB ASP A 18 13.151 2.237 0.603 1.00 44.23 C ATOM 257 CG ASP A 18 12.493 1.961 1.941 1.00 52.10 C ATOM 258 OD1 ASP A 18 11.888 2.886 2.517 1.00 3.12 O ATOM 259 OD2 ASP A 18 12.597 0.810 2.428 1.00 32.41 O ATOM 0 H ASP A 18 13.289 2.876 -2.222 1.00 65.33 H new ATOM 0 HA ASP A 18 11.351 1.621 -0.403 1.00 30.31 H new ATOM 0 HB2 ASP A 18 13.860 1.439 0.383 1.00 44.23 H new ATOM 0 HB3 ASP A 18 13.723 3.162 0.671 1.00 44.23 H new ATOM 264 N ILE A 19 10.675 4.018 0.388 1.00 53.14 N ATOM 265 CA ILE A 19 10.021 5.313 0.490 1.00 23.41 C ATOM 266 C ILE A 19 10.798 6.215 1.444 1.00 14.22 C ATOM 267 O ILE A 19 10.733 7.442 1.356 1.00 10.41 O ATOM 268 CB ILE A 19 8.560 5.167 0.984 1.00 32.30 C ATOM 269 CG1 ILE A 19 7.799 4.158 0.113 1.00 24.03 C ATOM 270 CG2 ILE A 19 7.842 6.512 0.981 1.00 53.44 C ATOM 271 CD1 ILE A 19 7.738 4.526 -1.357 1.00 54.12 C ATOM 0 H ILE A 19 10.413 3.357 1.120 1.00 53.14 H new ATOM 0 HA ILE A 19 10.003 5.760 -0.504 1.00 23.41 H new ATOM 0 HB ILE A 19 8.587 4.799 2.010 1.00 32.30 H new ATOM 0 HG12 ILE A 19 8.272 3.181 0.212 1.00 24.03 H new ATOM 0 HG13 ILE A 19 6.782 4.060 0.494 1.00 24.03 H new ATOM 0 HG21 ILE A 19 6.819 6.379 1.332 1.00 53.44 H new ATOM 0 HG22 ILE A 19 8.365 7.205 1.640 1.00 53.44 H new ATOM 0 HG23 ILE A 19 7.828 6.915 -0.032 1.00 53.44 H new ATOM 0 HD11 ILE A 19 7.183 3.761 -1.901 1.00 54.12 H new ATOM 0 HD12 ILE A 19 7.237 5.487 -1.471 1.00 54.12 H new ATOM 0 HD13 ILE A 19 8.750 4.594 -1.757 1.00 54.12 H new ATOM 283 N GLY A 20 11.550 5.596 2.345 1.00 75.11 N ATOM 284 CA GLY A 20 12.311 6.345 3.323 1.00 34.53 C ATOM 285 C GLY A 20 11.614 6.386 4.666 1.00 23.22 C ATOM 286 O GLY A 20 12.242 6.611 5.703 1.00 60.44 O ATOM 0 H GLY A 20 11.646 4.583 2.415 1.00 75.11 H new ATOM 0 HA2 GLY A 20 13.297 5.895 3.439 1.00 34.53 H new ATOM 0 HA3 GLY A 20 12.465 7.362 2.962 1.00 34.53 H new ATOM 290 N THR A 21 10.313 6.153 4.640 1.00 23.40 N ATOM 291 CA THR A 21 9.507 6.155 5.843 1.00 62.43 C ATOM 292 C THR A 21 8.572 4.951 5.841 1.00 11.43 C ATOM 293 O THR A 21 8.076 4.540 4.789 1.00 71.11 O ATOM 294 CB THR A 21 8.692 7.464 5.975 1.00 3.53 C ATOM 295 OG1 THR A 21 7.970 7.477 7.214 1.00 45.43 O ATOM 296 CG2 THR A 21 7.721 7.636 4.814 1.00 51.24 C ATOM 0 H THR A 21 9.790 5.958 3.786 1.00 23.40 H new ATOM 0 HA THR A 21 10.177 6.092 6.701 1.00 62.43 H new ATOM 0 HB THR A 21 9.397 8.295 5.956 1.00 3.53 H new ATOM 0 HG1 THR A 21 7.460 8.311 7.287 1.00 45.43 H new ATOM 0 HG21 THR A 21 7.165 8.565 4.939 1.00 51.24 H new ATOM 0 HG22 THR A 21 8.277 7.669 3.877 1.00 51.24 H new ATOM 0 HG23 THR A 21 7.025 6.797 4.794 1.00 51.24 H new ATOM 304 N VAL A 22 8.362 4.372 7.014 1.00 15.11 N ATOM 305 CA VAL A 22 7.518 3.197 7.151 1.00 24.14 C ATOM 306 C VAL A 22 6.514 3.409 8.277 1.00 24.42 C ATOM 307 O VAL A 22 6.867 3.924 9.342 1.00 44.54 O ATOM 308 CB VAL A 22 8.356 1.928 7.443 1.00 55.54 C ATOM 309 CG1 VAL A 22 7.470 0.694 7.525 1.00 14.13 C ATOM 310 CG2 VAL A 22 9.441 1.737 6.390 1.00 55.31 C ATOM 0 H VAL A 22 8.768 4.701 7.890 1.00 15.11 H new ATOM 0 HA VAL A 22 6.993 3.052 6.207 1.00 24.14 H new ATOM 0 HB VAL A 22 8.838 2.065 8.411 1.00 55.54 H new ATOM 0 HG11 VAL A 22 8.085 -0.182 7.731 1.00 14.13 H new ATOM 0 HG12 VAL A 22 6.741 0.822 8.325 1.00 14.13 H new ATOM 0 HG13 VAL A 22 6.949 0.557 6.578 1.00 14.13 H new ATOM 0 HG21 VAL A 22 10.015 0.839 6.618 1.00 55.31 H new ATOM 0 HG22 VAL A 22 8.980 1.633 5.408 1.00 55.31 H new ATOM 0 HG23 VAL A 22 10.104 2.602 6.390 1.00 55.31 H new ATOM 320 N ILE A 23 5.264 3.036 8.033 1.00 2.14 N ATOM 321 CA ILE A 23 4.224 3.127 9.051 1.00 23.00 C ATOM 322 C ILE A 23 4.577 2.240 10.248 1.00 14.35 C ATOM 323 O ILE A 23 5.202 1.190 10.084 1.00 72.21 O ATOM 324 CB ILE A 23 2.837 2.729 8.479 1.00 52.13 C ATOM 325 CG1 ILE A 23 1.748 2.868 9.548 1.00 4.14 C ATOM 326 CG2 ILE A 23 2.870 1.312 7.924 1.00 61.40 C ATOM 327 CD1 ILE A 23 0.354 2.549 9.049 1.00 11.24 C ATOM 0 H ILE A 23 4.945 2.667 7.137 1.00 2.14 H new ATOM 0 HA ILE A 23 4.166 4.165 9.380 1.00 23.00 H new ATOM 0 HB ILE A 23 2.599 3.409 7.661 1.00 52.13 H new ATOM 0 HG12 ILE A 23 1.985 2.207 10.382 1.00 4.14 H new ATOM 0 HG13 ILE A 23 1.760 3.887 9.935 1.00 4.14 H new ATOM 0 HG21 ILE A 23 1.888 1.053 7.528 1.00 61.40 H new ATOM 0 HG22 ILE A 23 3.610 1.251 7.126 1.00 61.40 H new ATOM 0 HG23 ILE A 23 3.135 0.616 8.720 1.00 61.40 H new ATOM 0 HD11 ILE A 23 -0.361 2.670 9.863 1.00 11.24 H new ATOM 0 HD12 ILE A 23 0.095 3.226 8.235 1.00 11.24 H new ATOM 0 HD13 ILE A 23 0.323 1.521 8.689 1.00 11.24 H new ATOM 339 N ASP A 24 4.202 2.690 11.443 1.00 14.24 N ATOM 340 CA ASP A 24 4.506 1.975 12.686 1.00 63.55 C ATOM 341 C ASP A 24 4.061 0.518 12.627 1.00 32.12 C ATOM 342 O ASP A 24 4.896 -0.389 12.595 1.00 72.24 O ATOM 343 CB ASP A 24 3.843 2.665 13.880 1.00 62.44 C ATOM 344 CG ASP A 24 4.540 3.949 14.278 1.00 2.11 C ATOM 345 OD1 ASP A 24 4.209 5.011 13.714 1.00 30.52 O ATOM 346 OD2 ASP A 24 5.420 3.899 15.160 1.00 53.30 O ATOM 0 H ASP A 24 3.681 3.556 11.580 1.00 14.24 H new ATOM 0 HA ASP A 24 5.589 1.995 12.809 1.00 63.55 H new ATOM 0 HB2 ASP A 24 2.803 2.882 13.637 1.00 62.44 H new ATOM 0 HB3 ASP A 24 3.836 1.983 14.730 1.00 62.44 H new ATOM 351 N ASN A 25 2.752 0.299 12.633 1.00 21.35 N ATOM 352 CA ASN A 25 2.196 -1.047 12.543 1.00 40.45 C ATOM 353 C ASN A 25 0.698 -0.985 12.300 1.00 30.03 C ATOM 354 O ASN A 25 0.084 0.077 12.417 1.00 52.41 O ATOM 355 CB ASN A 25 2.472 -1.868 13.812 1.00 52.01 C ATOM 356 CG ASN A 25 1.721 -1.359 15.030 1.00 24.10 C ATOM 357 OD1 ASN A 25 0.581 -1.750 15.281 1.00 20.41 O ATOM 358 ND2 ASN A 25 2.361 -0.503 15.805 1.00 12.32 N ATOM 0 H ASN A 25 2.053 1.039 12.699 1.00 21.35 H new ATOM 0 HA ASN A 25 2.686 -1.541 11.704 1.00 40.45 H new ATOM 0 HB2 ASN A 25 2.197 -2.907 13.632 1.00 52.01 H new ATOM 0 HB3 ASN A 25 3.542 -1.853 14.021 1.00 52.01 H new ATOM 0 HD21 ASN A 25 1.911 -0.142 16.646 1.00 12.32 H new ATOM 0 HD22 ASN A 25 3.305 -0.203 15.563 1.00 12.32 H new ATOM 365 N ASP A 26 0.128 -2.136 11.983 1.00 40.35 N ATOM 366 CA ASP A 26 -1.290 -2.270 11.705 1.00 10.32 C ATOM 367 C ASP A 26 -1.582 -3.755 11.514 1.00 62.32 C ATOM 368 O ASP A 26 -0.785 -4.593 11.938 1.00 52.41 O ATOM 369 CB ASP A 26 -1.674 -1.470 10.449 1.00 31.54 C ATOM 370 CG ASP A 26 -3.129 -1.047 10.452 1.00 3.51 C ATOM 371 OD1 ASP A 26 -3.982 -1.834 10.011 1.00 30.52 O ATOM 372 OD2 ASP A 26 -3.424 0.081 10.904 1.00 44.11 O ATOM 0 H ASP A 26 0.644 -3.013 11.911 1.00 40.35 H new ATOM 0 HA ASP A 26 -1.880 -1.873 12.531 1.00 10.32 H new ATOM 0 HB2 ASP A 26 -1.042 -0.585 10.379 1.00 31.54 H new ATOM 0 HB3 ASP A 26 -1.476 -2.074 9.563 1.00 31.54 H new ATOM 377 N ASN A 27 -2.689 -4.086 10.875 1.00 51.43 N ATOM 378 CA ASN A 27 -3.033 -5.481 10.634 1.00 45.43 C ATOM 379 C ASN A 27 -2.434 -5.968 9.313 1.00 5.31 C ATOM 380 O ASN A 27 -1.646 -5.263 8.683 1.00 32.14 O ATOM 381 CB ASN A 27 -4.556 -5.698 10.669 1.00 42.43 C ATOM 382 CG ASN A 27 -5.360 -4.732 9.806 1.00 51.52 C ATOM 383 OD1 ASN A 27 -6.501 -4.405 10.137 1.00 30.44 O ATOM 384 ND2 ASN A 27 -4.794 -4.274 8.702 1.00 44.35 N ATOM 0 H ASN A 27 -3.365 -3.413 10.514 1.00 51.43 H new ATOM 0 HA ASN A 27 -2.601 -6.075 11.439 1.00 45.43 H new ATOM 0 HB2 ASN A 27 -4.771 -6.717 10.346 1.00 42.43 H new ATOM 0 HB3 ASN A 27 -4.897 -5.612 11.701 1.00 42.43 H new ATOM 0 HD21 ASN A 27 -5.304 -3.631 8.097 1.00 44.35 H new ATOM 0 HD22 ASN A 27 -3.848 -4.564 8.456 1.00 44.35 H new ATOM 391 N CYS A 28 -2.809 -7.168 8.895 1.00 5.24 N ATOM 392 CA CYS A 28 -2.218 -7.781 7.711 1.00 24.13 C ATOM 393 C CYS A 28 -3.027 -7.464 6.455 1.00 21.32 C ATOM 394 O CYS A 28 -2.517 -7.559 5.338 1.00 12.14 O ATOM 395 CB CYS A 28 -2.119 -9.296 7.895 1.00 12.15 C ATOM 396 SG CYS A 28 -1.181 -9.802 9.355 1.00 63.53 S ATOM 0 H CYS A 28 -3.519 -7.737 9.356 1.00 5.24 H new ATOM 0 HA CYS A 28 -1.219 -7.364 7.585 1.00 24.13 H new ATOM 0 HB2 CYS A 28 -3.125 -9.710 7.961 1.00 12.15 H new ATOM 0 HB3 CYS A 28 -1.654 -9.729 7.009 1.00 12.15 H new ATOM 0 HG CYS A 28 -1.155 -11.100 9.426 1.00 63.53 H new ATOM 402 N THR A 29 -4.286 -7.099 6.642 1.00 73.41 N ATOM 403 CA THR A 29 -5.148 -6.749 5.526 1.00 32.24 C ATOM 404 C THR A 29 -4.972 -5.280 5.156 1.00 51.34 C ATOM 405 O THR A 29 -5.082 -4.396 6.004 1.00 72.11 O ATOM 406 CB THR A 29 -6.628 -7.026 5.861 1.00 1.12 C ATOM 407 OG1 THR A 29 -6.782 -8.385 6.287 1.00 53.12 O ATOM 408 CG2 THR A 29 -7.523 -6.770 4.656 1.00 65.23 C ATOM 0 H THR A 29 -4.733 -7.038 7.557 1.00 73.41 H new ATOM 0 HA THR A 29 -4.861 -7.370 4.677 1.00 32.24 H new ATOM 0 HB THR A 29 -6.926 -6.349 6.662 1.00 1.12 H new ATOM 0 HG1 THR A 29 -7.723 -8.556 6.500 1.00 53.12 H new ATOM 0 HG21 THR A 29 -8.560 -6.974 4.923 1.00 65.23 H new ATOM 0 HG22 THR A 29 -7.426 -5.730 4.345 1.00 65.23 H new ATOM 0 HG23 THR A 29 -7.225 -7.423 3.836 1.00 65.23 H new ATOM 416 N SER A 30 -4.707 -5.019 3.890 1.00 61.03 N ATOM 417 CA SER A 30 -4.517 -3.659 3.429 1.00 42.31 C ATOM 418 C SER A 30 -5.812 -3.141 2.831 1.00 3.44 C ATOM 419 O SER A 30 -6.222 -3.565 1.748 1.00 3.23 O ATOM 420 CB SER A 30 -3.391 -3.603 2.392 1.00 73.53 C ATOM 421 OG SER A 30 -3.029 -2.267 2.092 1.00 21.10 O ATOM 0 H SER A 30 -4.619 -5.730 3.164 1.00 61.03 H new ATOM 0 HA SER A 30 -4.237 -3.030 4.274 1.00 42.31 H new ATOM 0 HB2 SER A 30 -2.521 -4.141 2.768 1.00 73.53 H new ATOM 0 HB3 SER A 30 -3.709 -4.109 1.480 1.00 73.53 H new ATOM 0 HG SER A 30 -2.307 -2.265 1.429 1.00 21.10 H new ATOM 427 N LYS A 31 -6.483 -2.271 3.569 1.00 12.41 N ATOM 428 CA LYS A 31 -7.698 -1.653 3.083 1.00 60.24 C ATOM 429 C LYS A 31 -7.487 -0.178 2.788 1.00 24.30 C ATOM 430 O LYS A 31 -6.678 0.496 3.430 1.00 42.24 O ATOM 431 CB LYS A 31 -8.848 -1.830 4.072 1.00 43.33 C ATOM 432 CG LYS A 31 -9.439 -3.230 4.063 1.00 51.33 C ATOM 433 CD LYS A 31 -10.760 -3.276 4.807 1.00 74.35 C ATOM 434 CE LYS A 31 -10.570 -3.157 6.311 1.00 25.22 C ATOM 435 NZ LYS A 31 -11.867 -3.011 7.028 1.00 63.34 N ATOM 0 H LYS A 31 -6.204 -1.979 4.506 1.00 12.41 H new ATOM 0 HA LYS A 31 -7.963 -2.157 2.154 1.00 60.24 H new ATOM 0 HB2 LYS A 31 -8.493 -1.600 5.076 1.00 43.33 H new ATOM 0 HB3 LYS A 31 -9.633 -1.110 3.839 1.00 43.33 H new ATOM 0 HG2 LYS A 31 -9.587 -3.558 3.034 1.00 51.33 H new ATOM 0 HG3 LYS A 31 -8.737 -3.926 4.521 1.00 51.33 H new ATOM 0 HD2 LYS A 31 -11.402 -2.467 4.457 1.00 74.35 H new ATOM 0 HD3 LYS A 31 -11.272 -4.211 4.579 1.00 74.35 H new ATOM 0 HE2 LYS A 31 -10.049 -4.040 6.681 1.00 25.22 H new ATOM 0 HE3 LYS A 31 -9.936 -2.297 6.529 1.00 25.22 H new ATOM 0 HZ1 LYS A 31 -11.692 -2.933 8.050 1.00 63.34 H new ATOM 0 HZ2 LYS A 31 -12.354 -2.155 6.694 1.00 63.34 H new ATOM 0 HZ3 LYS A 31 -12.462 -3.843 6.841 1.00 63.34 H new ATOM 449 N PHE A 32 -8.229 0.306 1.812 1.00 21.02 N ATOM 450 CA PHE A 32 -8.148 1.694 1.393 1.00 2.25 C ATOM 451 C PHE A 32 -9.483 2.129 0.803 1.00 1.22 C ATOM 452 O PHE A 32 -9.993 1.493 -0.119 1.00 22.12 O ATOM 453 CB PHE A 32 -7.020 1.870 0.369 1.00 51.22 C ATOM 454 CG PHE A 32 -6.812 3.290 -0.077 1.00 13.21 C ATOM 455 CD1 PHE A 32 -6.291 4.235 0.792 1.00 25.21 C ATOM 456 CD2 PHE A 32 -7.130 3.674 -1.369 1.00 41.32 C ATOM 457 CE1 PHE A 32 -6.093 5.538 0.381 1.00 20.44 C ATOM 458 CE2 PHE A 32 -6.935 4.975 -1.785 1.00 50.13 C ATOM 459 CZ PHE A 32 -6.416 5.908 -0.910 1.00 2.33 C ATOM 0 H PHE A 32 -8.904 -0.249 1.287 1.00 21.02 H new ATOM 0 HA PHE A 32 -7.926 2.320 2.257 1.00 2.25 H new ATOM 0 HB2 PHE A 32 -6.091 1.496 0.800 1.00 51.22 H new ATOM 0 HB3 PHE A 32 -7.237 1.254 -0.504 1.00 51.22 H new ATOM 0 HD1 PHE A 32 -6.037 3.949 1.802 1.00 25.21 H new ATOM 0 HD2 PHE A 32 -7.535 2.948 -2.058 1.00 41.32 H new ATOM 0 HE1 PHE A 32 -5.687 6.266 1.067 1.00 20.44 H new ATOM 0 HE2 PHE A 32 -7.188 5.263 -2.795 1.00 50.13 H new ATOM 0 HZ PHE A 32 -6.263 6.927 -1.235 1.00 2.33 H new ATOM 469 N SER A 33 -10.052 3.194 1.350 1.00 43.33 N ATOM 470 CA SER A 33 -11.343 3.692 0.904 1.00 43.35 C ATOM 471 C SER A 33 -11.233 5.162 0.506 1.00 22.44 C ATOM 472 O SER A 33 -11.063 6.034 1.364 1.00 52.11 O ATOM 473 CB SER A 33 -12.375 3.528 2.022 1.00 42.42 C ATOM 474 OG SER A 33 -12.354 2.208 2.547 1.00 24.44 O ATOM 0 H SER A 33 -9.635 3.733 2.109 1.00 43.33 H new ATOM 0 HA SER A 33 -11.663 3.118 0.035 1.00 43.35 H new ATOM 0 HB2 SER A 33 -12.170 4.243 2.819 1.00 42.42 H new ATOM 0 HB3 SER A 33 -13.370 3.755 1.639 1.00 42.42 H new ATOM 0 HG SER A 33 -12.739 1.589 1.892 1.00 24.44 H new ATOM 480 N ARG A 34 -11.317 5.438 -0.788 1.00 3.24 N ATOM 481 CA ARG A 34 -11.163 6.801 -1.279 1.00 2.10 C ATOM 482 C ARG A 34 -12.328 7.206 -2.166 1.00 40.25 C ATOM 483 O ARG A 34 -12.884 6.383 -2.895 1.00 51.12 O ATOM 484 CB ARG A 34 -9.844 6.946 -2.044 1.00 22.35 C ATOM 485 CG ARG A 34 -9.661 8.307 -2.701 1.00 13.33 C ATOM 486 CD ARG A 34 -8.266 8.477 -3.271 1.00 1.21 C ATOM 487 NE ARG A 34 -8.160 9.681 -4.092 1.00 20.21 N ATOM 488 CZ ARG A 34 -7.348 10.704 -3.826 1.00 42.12 C ATOM 489 NH1 ARG A 34 -6.630 10.726 -2.707 1.00 52.41 N ATOM 490 NH2 ARG A 34 -7.287 11.727 -4.665 1.00 53.20 N ATOM 0 H ARG A 34 -11.490 4.742 -1.513 1.00 3.24 H new ATOM 0 HA ARG A 34 -11.150 7.466 -0.415 1.00 2.10 H new ATOM 0 HB2 ARG A 34 -9.016 6.770 -1.358 1.00 22.35 H new ATOM 0 HB3 ARG A 34 -9.793 6.173 -2.811 1.00 22.35 H new ATOM 0 HG2 ARG A 34 -10.396 8.427 -3.497 1.00 13.33 H new ATOM 0 HG3 ARG A 34 -9.852 9.092 -1.969 1.00 13.33 H new ATOM 0 HD2 ARG A 34 -7.544 8.528 -2.456 1.00 1.21 H new ATOM 0 HD3 ARG A 34 -8.009 7.604 -3.871 1.00 1.21 H new ATOM 0 HE ARG A 34 -8.747 9.743 -4.924 1.00 20.21 H new ATOM 0 HH11 ARG A 34 -6.698 9.955 -2.042 1.00 52.41 H new ATOM 0 HH12 ARG A 34 -6.012 11.514 -2.513 1.00 52.41 H new ATOM 0 HH21 ARG A 34 -7.859 11.729 -5.509 1.00 53.20 H new ATOM 0 HH22 ARG A 34 -6.668 12.513 -4.467 1.00 53.20 H new ATOM 504 N PHE A 35 -12.692 8.480 -2.087 1.00 62.52 N ATOM 505 CA PHE A 35 -13.734 9.038 -2.931 1.00 51.13 C ATOM 506 C PHE A 35 -13.156 9.408 -4.287 1.00 74.52 C ATOM 507 O PHE A 35 -12.093 10.030 -4.372 1.00 74.54 O ATOM 508 CB PHE A 35 -14.345 10.290 -2.298 1.00 42.23 C ATOM 509 CG PHE A 35 -14.837 10.099 -0.891 1.00 12.33 C ATOM 510 CD1 PHE A 35 -16.041 9.459 -0.646 1.00 12.33 C ATOM 511 CD2 PHE A 35 -14.095 10.563 0.182 1.00 61.44 C ATOM 512 CE1 PHE A 35 -16.495 9.286 0.647 1.00 60.41 C ATOM 513 CE2 PHE A 35 -14.546 10.394 1.478 1.00 60.54 C ATOM 514 CZ PHE A 35 -15.746 9.754 1.711 1.00 32.23 C ATOM 0 H PHE A 35 -12.275 9.149 -1.440 1.00 62.52 H new ATOM 0 HA PHE A 35 -14.512 8.283 -3.045 1.00 51.13 H new ATOM 0 HB2 PHE A 35 -13.600 11.086 -2.304 1.00 42.23 H new ATOM 0 HB3 PHE A 35 -15.176 10.627 -2.918 1.00 42.23 H new ATOM 0 HD1 PHE A 35 -16.630 9.092 -1.474 1.00 12.33 H new ATOM 0 HD2 PHE A 35 -13.154 11.062 0.005 1.00 61.44 H new ATOM 0 HE1 PHE A 35 -17.435 8.785 0.827 1.00 60.41 H new ATOM 0 HE2 PHE A 35 -13.960 10.762 2.307 1.00 60.54 H new ATOM 0 HZ PHE A 35 -16.100 9.619 2.722 1.00 32.23 H new ATOM 524 N PHE A 36 -13.849 9.024 -5.337 1.00 41.10 N ATOM 525 CA PHE A 36 -13.447 9.375 -6.685 1.00 42.25 C ATOM 526 C PHE A 36 -14.544 10.179 -7.365 1.00 73.03 C ATOM 527 O PHE A 36 -15.709 10.117 -6.962 1.00 22.32 O ATOM 528 CB PHE A 36 -13.117 8.122 -7.498 1.00 64.34 C ATOM 529 CG PHE A 36 -11.848 7.448 -7.064 1.00 72.34 C ATOM 530 CD1 PHE A 36 -10.627 7.853 -7.578 1.00 53.52 C ATOM 531 CD2 PHE A 36 -11.873 6.420 -6.140 1.00 23.23 C ATOM 532 CE1 PHE A 36 -9.456 7.241 -7.180 1.00 23.34 C ATOM 533 CE2 PHE A 36 -10.705 5.807 -5.737 1.00 52.22 C ATOM 534 CZ PHE A 36 -9.495 6.219 -6.257 1.00 12.32 C ATOM 0 H PHE A 36 -14.700 8.464 -5.284 1.00 41.10 H new ATOM 0 HA PHE A 36 -12.547 9.987 -6.629 1.00 42.25 H new ATOM 0 HB2 PHE A 36 -13.942 7.415 -7.414 1.00 64.34 H new ATOM 0 HB3 PHE A 36 -13.035 8.392 -8.551 1.00 64.34 H new ATOM 0 HD1 PHE A 36 -10.591 8.657 -8.298 1.00 53.52 H new ATOM 0 HD2 PHE A 36 -12.817 6.093 -5.729 1.00 23.23 H new ATOM 0 HE1 PHE A 36 -8.511 7.563 -7.591 1.00 23.34 H new ATOM 0 HE2 PHE A 36 -10.737 5.005 -5.015 1.00 52.22 H new ATOM 0 HZ PHE A 36 -8.580 5.741 -5.941 1.00 12.32 H new ATOM 544 N ALA A 37 -14.165 10.941 -8.380 1.00 74.13 N ATOM 545 CA ALA A 37 -15.104 11.787 -9.106 1.00 25.22 C ATOM 546 C ALA A 37 -16.132 10.948 -9.854 1.00 21.02 C ATOM 547 O ALA A 37 -17.334 11.181 -9.755 1.00 71.02 O ATOM 548 CB ALA A 37 -14.355 12.694 -10.069 1.00 75.24 C ATOM 0 H ALA A 37 -13.206 10.992 -8.723 1.00 74.13 H new ATOM 0 HA ALA A 37 -15.637 12.404 -8.383 1.00 25.22 H new ATOM 0 HB1 ALA A 37 -15.067 13.321 -10.606 1.00 75.24 H new ATOM 0 HB2 ALA A 37 -13.663 13.325 -9.511 1.00 75.24 H new ATOM 0 HB3 ALA A 37 -13.797 12.087 -10.782 1.00 75.24 H new ATOM 554 N THR A 38 -15.652 9.963 -10.597 1.00 62.30 N ATOM 555 CA THR A 38 -16.533 9.086 -11.350 1.00 11.52 C ATOM 556 C THR A 38 -16.278 7.635 -10.969 1.00 0.30 C ATOM 557 O THR A 38 -15.221 7.308 -10.428 1.00 61.13 O ATOM 558 CB THR A 38 -16.333 9.254 -12.873 1.00 20.40 C ATOM 559 OG1 THR A 38 -14.952 9.064 -13.210 1.00 14.20 O ATOM 560 CG2 THR A 38 -16.796 10.628 -13.340 1.00 34.53 C ATOM 0 H THR A 38 -14.659 9.752 -10.694 1.00 62.30 H new ATOM 0 HA THR A 38 -17.559 9.360 -11.103 1.00 11.52 H new ATOM 0 HB THR A 38 -16.937 8.501 -13.379 1.00 20.40 H new ATOM 0 HG1 THR A 38 -14.834 9.170 -14.177 1.00 14.20 H new ATOM 0 HG21 THR A 38 -16.643 10.717 -14.416 1.00 34.53 H new ATOM 0 HG22 THR A 38 -17.855 10.752 -13.112 1.00 34.53 H new ATOM 0 HG23 THR A 38 -16.222 11.399 -12.827 1.00 34.53 H new ATOM 568 N ARG A 39 -17.243 6.766 -11.246 1.00 24.12 N ATOM 569 CA ARG A 39 -17.080 5.339 -10.984 1.00 64.03 C ATOM 570 C ARG A 39 -15.952 4.770 -11.849 1.00 23.24 C ATOM 571 O ARG A 39 -15.296 3.796 -11.475 1.00 61.21 O ATOM 572 CB ARG A 39 -18.407 4.599 -11.211 1.00 24.20 C ATOM 573 CG ARG A 39 -18.277 3.088 -11.328 1.00 4.25 C ATOM 574 CD ARG A 39 -19.638 2.420 -11.439 1.00 75.34 C ATOM 575 NE ARG A 39 -19.524 0.981 -11.662 1.00 31.34 N ATOM 576 CZ ARG A 39 -20.200 0.064 -10.973 1.00 24.30 C ATOM 577 NH1 ARG A 39 -21.037 0.424 -10.008 1.00 2.12 N ATOM 578 NH2 ARG A 39 -20.041 -1.223 -11.252 1.00 0.04 N ATOM 0 H ARG A 39 -18.144 7.022 -11.650 1.00 24.12 H new ATOM 0 HA ARG A 39 -16.801 5.194 -9.940 1.00 64.03 H new ATOM 0 HB2 ARG A 39 -19.082 4.830 -10.387 1.00 24.20 H new ATOM 0 HB3 ARG A 39 -18.871 4.982 -12.120 1.00 24.20 H new ATOM 0 HG2 ARG A 39 -17.676 2.840 -12.203 1.00 4.25 H new ATOM 0 HG3 ARG A 39 -17.749 2.698 -10.458 1.00 4.25 H new ATOM 0 HD2 ARG A 39 -20.207 2.602 -10.527 1.00 75.34 H new ATOM 0 HD3 ARG A 39 -20.198 2.871 -12.259 1.00 75.34 H new ATOM 0 HE ARG A 39 -18.887 0.659 -12.391 1.00 31.34 H new ATOM 0 HH11 ARG A 39 -21.167 1.411 -9.788 1.00 2.12 H new ATOM 0 HH12 ARG A 39 -21.550 -0.287 -9.486 1.00 2.12 H new ATOM 0 HH21 ARG A 39 -19.402 -1.509 -11.993 1.00 0.04 H new ATOM 0 HH22 ARG A 39 -20.558 -1.927 -10.725 1.00 0.04 H new ATOM 592 N GLU A 40 -15.707 5.416 -12.982 1.00 63.15 N ATOM 593 CA GLU A 40 -14.588 5.066 -13.849 1.00 54.12 C ATOM 594 C GLU A 40 -13.270 5.211 -13.104 1.00 54.31 C ATOM 595 O GLU A 40 -12.418 4.323 -13.141 1.00 54.02 O ATOM 596 CB GLU A 40 -14.571 5.978 -15.065 1.00 34.34 C ATOM 597 CG GLU A 40 -15.794 5.842 -15.946 1.00 71.40 C ATOM 598 CD GLU A 40 -15.781 6.822 -17.096 1.00 45.44 C ATOM 599 OE1 GLU A 40 -15.136 6.532 -18.124 1.00 31.24 O ATOM 600 OE2 GLU A 40 -16.406 7.892 -16.973 1.00 11.53 O ATOM 0 H GLU A 40 -16.274 6.192 -13.324 1.00 63.15 H new ATOM 0 HA GLU A 40 -14.710 4.030 -14.164 1.00 54.12 H new ATOM 0 HB2 GLU A 40 -14.488 7.012 -14.731 1.00 34.34 H new ATOM 0 HB3 GLU A 40 -13.682 5.762 -15.657 1.00 34.34 H new ATOM 0 HG2 GLU A 40 -15.847 4.826 -16.337 1.00 71.40 H new ATOM 0 HG3 GLU A 40 -16.691 6.000 -15.347 1.00 71.40 H new ATOM 607 N GLU A 41 -13.121 6.347 -12.436 1.00 52.41 N ATOM 608 CA GLU A 41 -11.942 6.639 -11.623 1.00 25.12 C ATOM 609 C GLU A 41 -11.668 5.520 -10.622 1.00 23.11 C ATOM 610 O GLU A 41 -10.518 5.217 -10.310 1.00 43.01 O ATOM 611 CB GLU A 41 -12.147 7.959 -10.874 1.00 21.31 C ATOM 612 CG GLU A 41 -12.018 9.194 -11.745 1.00 31.30 C ATOM 613 CD GLU A 41 -10.597 9.433 -12.207 1.00 62.22 C ATOM 614 OE1 GLU A 41 -9.757 9.829 -11.372 1.00 13.13 O ATOM 615 OE2 GLU A 41 -10.315 9.239 -13.404 1.00 0.33 O ATOM 0 H GLU A 41 -13.814 7.095 -12.441 1.00 52.41 H new ATOM 0 HA GLU A 41 -11.082 6.719 -12.288 1.00 25.12 H new ATOM 0 HB2 GLU A 41 -13.136 7.954 -10.415 1.00 21.31 H new ATOM 0 HB3 GLU A 41 -11.420 8.021 -10.064 1.00 21.31 H new ATOM 0 HG2 GLU A 41 -12.667 9.090 -12.615 1.00 31.30 H new ATOM 0 HG3 GLU A 41 -12.367 10.064 -11.189 1.00 31.30 H new ATOM 622 N ALA A 42 -12.730 4.895 -10.144 1.00 2.23 N ATOM 623 CA ALA A 42 -12.611 3.864 -9.124 1.00 22.23 C ATOM 624 C ALA A 42 -12.089 2.556 -9.711 1.00 75.03 C ATOM 625 O ALA A 42 -11.102 1.999 -9.228 1.00 61.01 O ATOM 626 CB ALA A 42 -13.951 3.645 -8.443 1.00 21.31 C ATOM 0 H ALA A 42 -13.686 5.083 -10.445 1.00 2.23 H new ATOM 0 HA ALA A 42 -11.888 4.205 -8.383 1.00 22.23 H new ATOM 0 HB1 ALA A 42 -13.850 2.871 -7.682 1.00 21.31 H new ATOM 0 HB2 ALA A 42 -14.278 4.574 -7.975 1.00 21.31 H new ATOM 0 HB3 ALA A 42 -14.688 3.332 -9.183 1.00 21.31 H new ATOM 632 N GLU A 43 -12.746 2.076 -10.761 1.00 50.20 N ATOM 633 CA GLU A 43 -12.372 0.809 -11.384 1.00 4.12 C ATOM 634 C GLU A 43 -11.002 0.900 -12.052 1.00 1.10 C ATOM 635 O GLU A 43 -10.243 -0.072 -12.073 1.00 62.45 O ATOM 636 CB GLU A 43 -13.437 0.377 -12.393 1.00 53.55 C ATOM 637 CG GLU A 43 -13.793 1.448 -13.411 1.00 11.30 C ATOM 638 CD GLU A 43 -14.886 1.008 -14.359 1.00 3.12 C ATOM 639 OE1 GLU A 43 -16.047 0.887 -13.914 1.00 51.15 O ATOM 640 OE2 GLU A 43 -14.587 0.764 -15.546 1.00 25.34 O ATOM 0 H GLU A 43 -13.540 2.544 -11.199 1.00 50.20 H new ATOM 0 HA GLU A 43 -12.307 0.055 -10.599 1.00 4.12 H new ATOM 0 HB2 GLU A 43 -13.085 -0.509 -12.921 1.00 53.55 H new ATOM 0 HB3 GLU A 43 -14.339 0.089 -11.853 1.00 53.55 H new ATOM 0 HG2 GLU A 43 -14.112 2.350 -12.888 1.00 11.30 H new ATOM 0 HG3 GLU A 43 -12.903 1.710 -13.984 1.00 11.30 H new ATOM 647 N SER A 44 -10.676 2.072 -12.579 1.00 61.32 N ATOM 648 CA SER A 44 -9.380 2.288 -13.202 1.00 64.14 C ATOM 649 C SER A 44 -8.273 2.277 -12.147 1.00 62.03 C ATOM 650 O SER A 44 -7.137 1.887 -12.425 1.00 63.41 O ATOM 651 CB SER A 44 -9.375 3.611 -13.963 1.00 54.43 C ATOM 652 OG SER A 44 -10.447 3.664 -14.889 1.00 1.44 O ATOM 0 H SER A 44 -11.291 2.886 -12.587 1.00 61.32 H new ATOM 0 HA SER A 44 -9.193 1.478 -13.908 1.00 64.14 H new ATOM 0 HB2 SER A 44 -9.455 4.440 -13.260 1.00 54.43 H new ATOM 0 HB3 SER A 44 -8.428 3.729 -14.489 1.00 54.43 H new ATOM 0 HG SER A 44 -11.283 3.849 -14.412 1.00 1.44 H new ATOM 658 N PHE A 45 -8.617 2.696 -10.934 1.00 3.11 N ATOM 659 CA PHE A 45 -7.671 2.701 -9.829 1.00 23.34 C ATOM 660 C PHE A 45 -7.381 1.270 -9.388 1.00 11.11 C ATOM 661 O PHE A 45 -6.232 0.899 -9.159 1.00 75.15 O ATOM 662 CB PHE A 45 -8.234 3.519 -8.662 1.00 23.23 C ATOM 663 CG PHE A 45 -7.309 3.630 -7.483 1.00 54.31 C ATOM 664 CD1 PHE A 45 -6.167 4.411 -7.554 1.00 51.14 C ATOM 665 CD2 PHE A 45 -7.585 2.958 -6.303 1.00 5.12 C ATOM 666 CE1 PHE A 45 -5.317 4.518 -6.471 1.00 74.34 C ATOM 667 CE2 PHE A 45 -6.739 3.062 -5.216 1.00 3.33 C ATOM 668 CZ PHE A 45 -5.603 3.844 -5.299 1.00 72.23 C ATOM 0 H PHE A 45 -9.547 3.037 -10.693 1.00 3.11 H new ATOM 0 HA PHE A 45 -6.739 3.160 -10.157 1.00 23.34 H new ATOM 0 HB2 PHE A 45 -8.473 4.521 -9.018 1.00 23.23 H new ATOM 0 HB3 PHE A 45 -9.170 3.066 -8.334 1.00 23.23 H new ATOM 0 HD1 PHE A 45 -5.939 4.942 -8.466 1.00 51.14 H new ATOM 0 HD2 PHE A 45 -8.472 2.346 -6.232 1.00 5.12 H new ATOM 0 HE1 PHE A 45 -4.429 5.128 -6.540 1.00 74.34 H new ATOM 0 HE2 PHE A 45 -6.965 2.533 -4.302 1.00 3.33 H new ATOM 0 HZ PHE A 45 -4.940 3.928 -4.450 1.00 72.23 H new ATOM 678 N MET A 46 -8.433 0.464 -9.315 1.00 5.44 N ATOM 679 CA MET A 46 -8.321 -0.931 -8.888 1.00 72.42 C ATOM 680 C MET A 46 -7.428 -1.735 -9.836 1.00 63.14 C ATOM 681 O MET A 46 -6.836 -2.741 -9.443 1.00 73.33 O ATOM 682 CB MET A 46 -9.714 -1.566 -8.806 1.00 52.25 C ATOM 683 CG MET A 46 -9.713 -3.016 -8.343 1.00 63.44 C ATOM 684 SD MET A 46 -8.907 -3.241 -6.742 1.00 74.32 S ATOM 685 CE MET A 46 -9.874 -2.135 -5.720 1.00 71.55 C ATOM 0 H MET A 46 -9.383 0.753 -9.548 1.00 5.44 H new ATOM 0 HA MET A 46 -7.859 -0.947 -7.901 1.00 72.42 H new ATOM 0 HB2 MET A 46 -10.329 -0.979 -8.124 1.00 52.25 H new ATOM 0 HB3 MET A 46 -10.185 -1.510 -9.788 1.00 52.25 H new ATOM 0 HG2 MET A 46 -10.741 -3.373 -8.280 1.00 63.44 H new ATOM 0 HG3 MET A 46 -9.207 -3.630 -9.088 1.00 63.44 H new ATOM 0 HE1 MET A 46 -10.138 -2.637 -4.789 1.00 71.55 H new ATOM 0 HE2 MET A 46 -9.290 -1.242 -5.497 1.00 71.55 H new ATOM 0 HE3 MET A 46 -10.783 -1.851 -6.250 1.00 71.55 H new ATOM 695 N THR A 47 -7.316 -1.272 -11.077 1.00 43.32 N ATOM 696 CA THR A 47 -6.510 -1.956 -12.081 1.00 64.33 C ATOM 697 C THR A 47 -5.055 -2.086 -11.629 1.00 51.53 C ATOM 698 O THR A 47 -4.484 -3.178 -11.655 1.00 10.44 O ATOM 699 CB THR A 47 -6.557 -1.217 -13.431 1.00 31.21 C ATOM 700 OG1 THR A 47 -7.920 -0.953 -13.801 1.00 54.44 O ATOM 701 CG2 THR A 47 -5.885 -2.039 -14.523 1.00 34.34 C ATOM 0 H THR A 47 -7.774 -0.424 -11.411 1.00 43.32 H new ATOM 0 HA THR A 47 -6.934 -2.952 -12.205 1.00 64.33 H new ATOM 0 HB THR A 47 -6.020 -0.275 -13.321 1.00 31.21 H new ATOM 0 HG1 THR A 47 -7.940 -0.481 -14.660 1.00 54.44 H new ATOM 0 HG21 THR A 47 -5.931 -1.496 -15.467 1.00 34.34 H new ATOM 0 HG22 THR A 47 -4.843 -2.216 -14.256 1.00 34.34 H new ATOM 0 HG23 THR A 47 -6.400 -2.994 -14.628 1.00 34.34 H new ATOM 709 N LYS A 48 -4.463 -0.976 -11.186 1.00 4.31 N ATOM 710 CA LYS A 48 -3.067 -0.989 -10.766 1.00 63.24 C ATOM 711 C LYS A 48 -2.905 -1.737 -9.443 1.00 25.34 C ATOM 712 O LYS A 48 -1.869 -2.347 -9.194 1.00 13.21 O ATOM 713 CB LYS A 48 -2.493 0.429 -10.656 1.00 61.55 C ATOM 714 CG LYS A 48 -3.183 1.310 -9.636 1.00 44.01 C ATOM 715 CD LYS A 48 -2.261 2.420 -9.156 1.00 33.32 C ATOM 716 CE LYS A 48 -1.927 3.422 -10.256 1.00 42.21 C ATOM 717 NZ LYS A 48 -3.056 4.346 -10.541 1.00 3.12 N ATOM 0 H LYS A 48 -4.924 -0.069 -11.110 1.00 4.31 H new ATOM 0 HA LYS A 48 -2.502 -1.515 -11.535 1.00 63.24 H new ATOM 0 HB2 LYS A 48 -1.435 0.360 -10.401 1.00 61.55 H new ATOM 0 HB3 LYS A 48 -2.555 0.909 -11.633 1.00 61.55 H new ATOM 0 HG2 LYS A 48 -4.081 1.744 -10.075 1.00 44.01 H new ATOM 0 HG3 LYS A 48 -3.503 0.706 -8.787 1.00 44.01 H new ATOM 0 HD2 LYS A 48 -2.731 2.943 -8.324 1.00 33.32 H new ATOM 0 HD3 LYS A 48 -1.338 1.982 -8.776 1.00 33.32 H new ATOM 0 HE2 LYS A 48 -1.052 4.002 -9.963 1.00 42.21 H new ATOM 0 HE3 LYS A 48 -1.663 2.884 -11.166 1.00 42.21 H new ATOM 0 HZ1 LYS A 48 -2.781 5.008 -11.295 1.00 3.12 H new ATOM 0 HZ2 LYS A 48 -3.885 3.797 -10.847 1.00 3.12 H new ATOM 0 HZ3 LYS A 48 -3.293 4.880 -9.681 1.00 3.12 H new ATOM 731 N LEU A 49 -3.946 -1.708 -8.616 1.00 70.33 N ATOM 732 CA LEU A 49 -3.945 -2.410 -7.330 1.00 51.33 C ATOM 733 C LEU A 49 -3.705 -3.901 -7.536 1.00 4.53 C ATOM 734 O LEU A 49 -2.920 -4.521 -6.818 1.00 13.02 O ATOM 735 CB LEU A 49 -5.282 -2.188 -6.602 1.00 32.11 C ATOM 736 CG LEU A 49 -5.390 -0.923 -5.737 1.00 53.21 C ATOM 737 CD1 LEU A 49 -4.659 -1.110 -4.421 1.00 71.23 C ATOM 738 CD2 LEU A 49 -4.851 0.297 -6.467 1.00 5.13 C ATOM 0 H LEU A 49 -4.809 -1.202 -8.813 1.00 70.33 H new ATOM 0 HA LEU A 49 -3.138 -2.008 -6.718 1.00 51.33 H new ATOM 0 HB2 LEU A 49 -6.076 -2.160 -7.348 1.00 32.11 H new ATOM 0 HB3 LEU A 49 -5.472 -3.053 -5.967 1.00 32.11 H new ATOM 0 HG LEU A 49 -6.447 -0.755 -5.532 1.00 53.21 H new ATOM 0 HD11 LEU A 49 -4.748 -0.203 -3.823 1.00 71.23 H new ATOM 0 HD12 LEU A 49 -5.097 -1.947 -3.877 1.00 71.23 H new ATOM 0 HD13 LEU A 49 -3.606 -1.315 -4.615 1.00 71.23 H new ATOM 0 HD21 LEU A 49 -4.943 1.174 -5.827 1.00 5.13 H new ATOM 0 HD22 LEU A 49 -3.802 0.138 -6.716 1.00 5.13 H new ATOM 0 HD23 LEU A 49 -5.422 0.455 -7.382 1.00 5.13 H new ATOM 750 N LYS A 50 -4.376 -4.462 -8.534 1.00 73.54 N ATOM 751 CA LYS A 50 -4.221 -5.872 -8.870 1.00 24.32 C ATOM 752 C LYS A 50 -2.778 -6.197 -9.254 1.00 21.51 C ATOM 753 O LYS A 50 -2.187 -7.150 -8.745 1.00 22.35 O ATOM 754 CB LYS A 50 -5.153 -6.244 -10.026 1.00 13.33 C ATOM 755 CG LYS A 50 -6.386 -7.028 -9.605 1.00 22.45 C ATOM 756 CD LYS A 50 -7.336 -6.184 -8.776 1.00 71.20 C ATOM 757 CE LYS A 50 -8.593 -6.957 -8.419 1.00 64.33 C ATOM 758 NZ LYS A 50 -9.312 -7.448 -9.625 1.00 13.24 N ATOM 0 H LYS A 50 -5.036 -3.959 -9.128 1.00 73.54 H new ATOM 0 HA LYS A 50 -4.482 -6.455 -7.986 1.00 24.32 H new ATOM 0 HB2 LYS A 50 -5.471 -5.331 -10.530 1.00 13.33 H new ATOM 0 HB3 LYS A 50 -4.594 -6.831 -10.754 1.00 13.33 H new ATOM 0 HG2 LYS A 50 -6.904 -7.394 -10.492 1.00 22.45 H new ATOM 0 HG3 LYS A 50 -6.082 -7.903 -9.030 1.00 22.45 H new ATOM 0 HD2 LYS A 50 -6.835 -5.859 -7.864 1.00 71.20 H new ATOM 0 HD3 LYS A 50 -7.605 -5.285 -9.330 1.00 71.20 H new ATOM 0 HE2 LYS A 50 -8.329 -7.804 -7.786 1.00 64.33 H new ATOM 0 HE3 LYS A 50 -9.257 -6.318 -7.837 1.00 64.33 H new ATOM 0 HZ1 LYS A 50 -10.280 -7.725 -9.364 1.00 13.24 H new ATOM 0 HZ2 LYS A 50 -9.349 -6.693 -10.339 1.00 13.24 H new ATOM 0 HZ3 LYS A 50 -8.811 -8.271 -10.017 1.00 13.24 H new ATOM 772 N GLU A 51 -2.217 -5.392 -10.145 1.00 40.54 N ATOM 773 CA GLU A 51 -0.872 -5.633 -10.656 1.00 33.53 C ATOM 774 C GLU A 51 0.176 -5.388 -9.578 1.00 72.35 C ATOM 775 O GLU A 51 1.183 -6.091 -9.502 1.00 53.33 O ATOM 776 CB GLU A 51 -0.598 -4.745 -11.868 1.00 51.32 C ATOM 777 CG GLU A 51 -1.656 -4.869 -12.950 1.00 2.03 C ATOM 778 CD GLU A 51 -1.289 -4.116 -14.210 1.00 44.51 C ATOM 779 OE1 GLU A 51 -1.332 -2.869 -14.197 1.00 71.34 O ATOM 780 OE2 GLU A 51 -0.948 -4.767 -15.221 1.00 71.24 O ATOM 0 H GLU A 51 -2.672 -4.565 -10.531 1.00 40.54 H new ATOM 0 HA GLU A 51 -0.809 -6.678 -10.960 1.00 33.53 H new ATOM 0 HB2 GLU A 51 -0.539 -3.706 -11.544 1.00 51.32 H new ATOM 0 HB3 GLU A 51 0.374 -5.004 -12.288 1.00 51.32 H new ATOM 0 HG2 GLU A 51 -1.803 -5.922 -13.190 1.00 2.03 H new ATOM 0 HG3 GLU A 51 -2.606 -4.493 -12.570 1.00 2.03 H new ATOM 787 N LEU A 52 -0.073 -4.391 -8.742 1.00 30.42 N ATOM 788 CA LEU A 52 0.830 -4.067 -7.647 1.00 50.32 C ATOM 789 C LEU A 52 0.884 -5.198 -6.623 1.00 62.50 C ATOM 790 O LEU A 52 1.937 -5.480 -6.054 1.00 62.31 O ATOM 791 CB LEU A 52 0.416 -2.753 -6.982 1.00 74.32 C ATOM 792 CG LEU A 52 0.694 -1.493 -7.809 1.00 62.55 C ATOM 793 CD1 LEU A 52 0.237 -0.250 -7.065 1.00 13.44 C ATOM 794 CD2 LEU A 52 2.175 -1.394 -8.151 1.00 22.43 C ATOM 0 H LEU A 52 -0.895 -3.791 -8.801 1.00 30.42 H new ATOM 0 HA LEU A 52 1.831 -3.945 -8.060 1.00 50.32 H new ATOM 0 HB2 LEU A 52 -0.650 -2.796 -6.760 1.00 74.32 H new ATOM 0 HB3 LEU A 52 0.937 -2.666 -6.028 1.00 74.32 H new ATOM 0 HG LEU A 52 0.128 -1.564 -8.738 1.00 62.55 H new ATOM 0 HD11 LEU A 52 0.444 0.633 -7.670 1.00 13.44 H new ATOM 0 HD12 LEU A 52 -0.834 -0.315 -6.872 1.00 13.44 H new ATOM 0 HD13 LEU A 52 0.773 -0.175 -6.119 1.00 13.44 H new ATOM 0 HD21 LEU A 52 2.353 -0.493 -8.738 1.00 22.43 H new ATOM 0 HD22 LEU A 52 2.759 -1.349 -7.231 1.00 22.43 H new ATOM 0 HD23 LEU A 52 2.474 -2.269 -8.728 1.00 22.43 H new ATOM 806 N ALA A 53 -0.250 -5.858 -6.405 1.00 10.22 N ATOM 807 CA ALA A 53 -0.303 -7.012 -5.514 1.00 65.15 C ATOM 808 C ALA A 53 0.514 -8.162 -6.091 1.00 1.42 C ATOM 809 O ALA A 53 1.194 -8.890 -5.363 1.00 60.32 O ATOM 810 CB ALA A 53 -1.747 -7.440 -5.284 1.00 1.10 C ATOM 0 H ALA A 53 -1.143 -5.614 -6.833 1.00 10.22 H new ATOM 0 HA ALA A 53 0.127 -6.732 -4.553 1.00 65.15 H new ATOM 0 HB1 ALA A 53 -1.769 -8.302 -4.617 1.00 1.10 H new ATOM 0 HB2 ALA A 53 -2.303 -6.618 -4.833 1.00 1.10 H new ATOM 0 HB3 ALA A 53 -2.204 -7.707 -6.237 1.00 1.10 H new ATOM 816 N ALA A 54 0.456 -8.302 -7.410 1.00 3.30 N ATOM 817 CA ALA A 54 1.216 -9.323 -8.118 1.00 40.22 C ATOM 818 C ALA A 54 2.714 -9.036 -8.049 1.00 64.43 C ATOM 819 O ALA A 54 3.535 -9.946 -8.082 1.00 73.54 O ATOM 820 CB ALA A 54 0.757 -9.417 -9.564 1.00 44.31 C ATOM 0 H ALA A 54 -0.116 -7.714 -8.016 1.00 3.30 H new ATOM 0 HA ALA A 54 1.034 -10.281 -7.631 1.00 40.22 H new ATOM 0 HB1 ALA A 54 1.334 -10.184 -10.080 1.00 44.31 H new ATOM 0 HB2 ALA A 54 -0.301 -9.678 -9.594 1.00 44.31 H new ATOM 0 HB3 ALA A 54 0.908 -8.457 -10.057 1.00 44.31 H new ATOM 826 N ALA A 55 3.066 -7.761 -7.965 1.00 21.21 N ATOM 827 CA ALA A 55 4.465 -7.368 -7.864 1.00 60.31 C ATOM 828 C ALA A 55 4.976 -7.512 -6.430 1.00 13.34 C ATOM 829 O ALA A 55 6.141 -7.841 -6.206 1.00 75.44 O ATOM 830 CB ALA A 55 4.642 -5.936 -8.349 1.00 22.12 C ATOM 0 H ALA A 55 2.406 -6.984 -7.965 1.00 21.21 H new ATOM 0 HA ALA A 55 5.053 -8.033 -8.497 1.00 60.31 H new ATOM 0 HB1 ALA A 55 5.691 -5.652 -8.269 1.00 22.12 H new ATOM 0 HB2 ALA A 55 4.324 -5.862 -9.389 1.00 22.12 H new ATOM 0 HB3 ALA A 55 4.038 -5.267 -7.736 1.00 22.12 H new ATOM 836 N ALA A 56 4.094 -7.269 -5.467 1.00 1.45 N ATOM 837 CA ALA A 56 4.463 -7.302 -4.054 1.00 55.03 C ATOM 838 C ALA A 56 4.542 -8.731 -3.520 1.00 33.04 C ATOM 839 O ALA A 56 5.579 -9.155 -3.011 1.00 10.44 O ATOM 840 CB ALA A 56 3.473 -6.485 -3.232 1.00 11.24 C ATOM 0 H ALA A 56 3.114 -7.046 -5.639 1.00 1.45 H new ATOM 0 HA ALA A 56 5.456 -6.862 -3.962 1.00 55.03 H new ATOM 0 HB1 ALA A 56 3.759 -6.517 -2.181 1.00 11.24 H new ATOM 0 HB2 ALA A 56 3.479 -5.451 -3.578 1.00 11.24 H new ATOM 0 HB3 ALA A 56 2.472 -6.901 -3.349 1.00 11.24 H new ATOM 846 N SER A 57 3.446 -9.468 -3.644 1.00 62.41 N ATOM 847 CA SER A 57 3.360 -10.810 -3.078 1.00 52.45 C ATOM 848 C SER A 57 3.485 -11.891 -4.144 1.00 41.14 C ATOM 849 O SER A 57 3.468 -13.084 -3.821 1.00 34.32 O ATOM 850 CB SER A 57 2.031 -10.970 -2.337 1.00 42.43 C ATOM 851 OG SER A 57 2.026 -10.209 -1.147 1.00 33.02 O ATOM 0 H SER A 57 2.604 -9.160 -4.131 1.00 62.41 H new ATOM 0 HA SER A 57 4.194 -10.931 -2.387 1.00 52.45 H new ATOM 0 HB2 SER A 57 1.210 -10.653 -2.980 1.00 42.43 H new ATOM 0 HB3 SER A 57 1.864 -12.021 -2.102 1.00 42.43 H new ATOM 0 HG SER A 57 1.184 -9.713 -1.080 1.00 33.02 H new ATOM 857 N SER A 58 3.602 -11.464 -5.402 1.00 71.42 N ATOM 858 CA SER A 58 3.604 -12.368 -6.559 1.00 55.35 C ATOM 859 C SER A 58 2.216 -12.973 -6.760 1.00 24.30 C ATOM 860 O SER A 58 1.620 -12.831 -7.829 1.00 42.43 O ATOM 861 CB SER A 58 4.669 -13.464 -6.414 1.00 35.32 C ATOM 862 OG SER A 58 5.969 -12.901 -6.311 1.00 2.14 O ATOM 0 H SER A 58 3.698 -10.479 -5.651 1.00 71.42 H new ATOM 0 HA SER A 58 3.859 -11.785 -7.444 1.00 55.35 H new ATOM 0 HB2 SER A 58 4.458 -14.066 -5.530 1.00 35.32 H new ATOM 0 HB3 SER A 58 4.626 -14.134 -7.273 1.00 35.32 H new ATOM 0 HG SER A 58 6.630 -13.619 -6.218 1.00 2.14 H new ATOM 868 N ALA A 59 1.717 -13.626 -5.710 1.00 12.21 N ATOM 869 CA ALA A 59 0.365 -14.178 -5.659 1.00 51.24 C ATOM 870 C ALA A 59 0.204 -15.405 -6.546 1.00 32.14 C ATOM 871 O ALA A 59 -0.158 -16.474 -6.052 1.00 61.44 O ATOM 872 CB ALA A 59 -0.672 -13.118 -6.015 1.00 23.23 C ATOM 0 H ALA A 59 2.251 -13.788 -4.857 1.00 12.21 H new ATOM 0 HA ALA A 59 0.197 -14.500 -4.631 1.00 51.24 H new ATOM 0 HB1 ALA A 59 -1.669 -13.555 -5.969 1.00 23.23 H new ATOM 0 HB2 ALA A 59 -0.605 -12.292 -5.307 1.00 23.23 H new ATOM 0 HB3 ALA A 59 -0.483 -12.749 -7.023 1.00 23.23 H new ATOM 878 N ASP A 60 0.480 -15.241 -7.838 1.00 54.23 N ATOM 879 CA ASP A 60 0.270 -16.286 -8.846 1.00 43.55 C ATOM 880 C ASP A 60 -1.200 -16.679 -8.912 1.00 34.23 C ATOM 881 O ASP A 60 -1.942 -16.202 -9.770 1.00 64.31 O ATOM 882 CB ASP A 60 1.139 -17.520 -8.574 1.00 31.24 C ATOM 883 CG ASP A 60 0.949 -18.602 -9.620 1.00 64.52 C ATOM 884 OD1 ASP A 60 1.527 -18.476 -10.726 1.00 13.00 O ATOM 885 OD2 ASP A 60 0.228 -19.583 -9.351 1.00 14.22 O ATOM 0 H ASP A 60 0.858 -14.375 -8.221 1.00 54.23 H new ATOM 0 HA ASP A 60 0.570 -15.875 -9.810 1.00 43.55 H new ATOM 0 HB2 ASP A 60 2.188 -17.224 -8.548 1.00 31.24 H new ATOM 0 HB3 ASP A 60 0.896 -17.922 -7.590 1.00 31.24 H new ATOM 890 N GLU A 61 -1.618 -17.531 -7.983 1.00 35.22 N ATOM 891 CA GLU A 61 -3.007 -17.933 -7.878 1.00 53.44 C ATOM 892 C GLU A 61 -3.837 -16.753 -7.381 1.00 72.43 C ATOM 893 O GLU A 61 -4.983 -16.566 -7.791 1.00 42.02 O ATOM 894 CB GLU A 61 -3.129 -19.131 -6.935 1.00 3.42 C ATOM 895 CG GLU A 61 -4.513 -19.752 -6.899 1.00 3.41 C ATOM 896 CD GLU A 61 -4.518 -21.088 -6.194 1.00 74.13 C ATOM 897 OE1 GLU A 61 -4.667 -21.113 -4.959 1.00 12.43 O ATOM 898 OE2 GLU A 61 -4.361 -22.125 -6.876 1.00 63.45 O ATOM 0 H GLU A 61 -1.005 -17.957 -7.288 1.00 35.22 H new ATOM 0 HA GLU A 61 -3.383 -18.234 -8.856 1.00 53.44 H new ATOM 0 HB2 GLU A 61 -2.409 -19.892 -7.236 1.00 3.42 H new ATOM 0 HB3 GLU A 61 -2.857 -18.816 -5.927 1.00 3.42 H new ATOM 0 HG2 GLU A 61 -5.201 -19.074 -6.395 1.00 3.41 H new ATOM 0 HG3 GLU A 61 -4.880 -19.879 -7.918 1.00 3.41 H new ATOM 905 N GLY A 62 -3.234 -15.945 -6.517 1.00 42.12 N ATOM 906 CA GLY A 62 -3.871 -14.718 -6.090 1.00 3.23 C ATOM 907 C GLY A 62 -4.026 -14.616 -4.588 1.00 44.02 C ATOM 908 O GLY A 62 -4.540 -15.533 -3.948 1.00 74.31 O ATOM 0 H GLY A 62 -2.317 -16.119 -6.106 1.00 42.12 H new ATOM 0 HA2 GLY A 62 -3.286 -13.870 -6.446 1.00 3.23 H new ATOM 0 HA3 GLY A 62 -4.854 -14.646 -6.556 1.00 3.23 H new ATOM 912 N ALA A 63 -3.562 -13.506 -4.026 1.00 32.32 N ATOM 913 CA ALA A 63 -3.820 -13.191 -2.630 1.00 41.12 C ATOM 914 C ALA A 63 -5.283 -12.819 -2.464 1.00 75.22 C ATOM 915 O ALA A 63 -5.937 -12.435 -3.437 1.00 13.23 O ATOM 916 CB ALA A 63 -2.925 -12.052 -2.164 1.00 32.21 C ATOM 0 H ALA A 63 -3.004 -12.809 -4.519 1.00 32.32 H new ATOM 0 HA ALA A 63 -3.598 -14.065 -2.018 1.00 41.12 H new ATOM 0 HB1 ALA A 63 -3.133 -11.831 -1.117 1.00 32.21 H new ATOM 0 HB2 ALA A 63 -1.880 -12.342 -2.273 1.00 32.21 H new ATOM 0 HB3 ALA A 63 -3.120 -11.166 -2.768 1.00 32.21 H new ATOM 922 N SER A 64 -5.796 -12.944 -1.248 1.00 73.23 N ATOM 923 CA SER A 64 -7.193 -12.638 -0.971 1.00 54.33 C ATOM 924 C SER A 64 -7.511 -11.190 -1.328 1.00 55.01 C ATOM 925 O SER A 64 -7.081 -10.258 -0.644 1.00 21.23 O ATOM 926 CB SER A 64 -7.498 -12.907 0.501 1.00 21.40 C ATOM 927 OG SER A 64 -7.095 -14.217 0.868 1.00 70.11 O ATOM 0 H SER A 64 -5.264 -13.256 -0.435 1.00 73.23 H new ATOM 0 HA SER A 64 -7.822 -13.281 -1.587 1.00 54.33 H new ATOM 0 HB2 SER A 64 -6.983 -12.175 1.123 1.00 21.40 H new ATOM 0 HB3 SER A 64 -8.566 -12.785 0.684 1.00 21.40 H new ATOM 0 HG SER A 64 -7.298 -14.368 1.815 1.00 70.11 H new ATOM 933 N VAL A 65 -8.244 -11.003 -2.415 1.00 63.13 N ATOM 934 CA VAL A 65 -8.561 -9.670 -2.891 1.00 61.42 C ATOM 935 C VAL A 65 -10.065 -9.422 -2.895 1.00 34.43 C ATOM 936 O VAL A 65 -10.838 -10.177 -3.489 1.00 44.14 O ATOM 937 CB VAL A 65 -7.979 -9.416 -4.306 1.00 60.42 C ATOM 938 CG1 VAL A 65 -8.399 -10.508 -5.280 1.00 42.22 C ATOM 939 CG2 VAL A 65 -8.400 -8.049 -4.826 1.00 21.41 C ATOM 0 H VAL A 65 -8.629 -11.758 -2.982 1.00 63.13 H new ATOM 0 HA VAL A 65 -8.096 -8.969 -2.197 1.00 61.42 H new ATOM 0 HB VAL A 65 -6.892 -9.436 -4.225 1.00 60.42 H new ATOM 0 HG11 VAL A 65 -7.975 -10.302 -6.263 1.00 42.22 H new ATOM 0 HG12 VAL A 65 -8.037 -11.472 -4.924 1.00 42.22 H new ATOM 0 HG13 VAL A 65 -9.486 -10.533 -5.352 1.00 42.22 H new ATOM 0 HG21 VAL A 65 -7.980 -7.893 -5.820 1.00 21.41 H new ATOM 0 HG22 VAL A 65 -9.488 -7.999 -4.879 1.00 21.41 H new ATOM 0 HG23 VAL A 65 -8.034 -7.275 -4.152 1.00 21.41 H new ATOM 949 N ALA A 66 -10.466 -8.373 -2.206 1.00 34.14 N ATOM 950 CA ALA A 66 -11.847 -7.927 -2.207 1.00 24.33 C ATOM 951 C ALA A 66 -11.905 -6.466 -2.624 1.00 31.54 C ATOM 952 O ALA A 66 -11.059 -5.670 -2.221 1.00 72.22 O ATOM 953 CB ALA A 66 -12.476 -8.124 -0.833 1.00 11.52 C ATOM 0 H ALA A 66 -9.845 -7.805 -1.629 1.00 34.14 H new ATOM 0 HA ALA A 66 -12.416 -8.523 -2.921 1.00 24.33 H new ATOM 0 HB1 ALA A 66 -13.511 -7.784 -0.855 1.00 11.52 H new ATOM 0 HB2 ALA A 66 -12.447 -9.181 -0.568 1.00 11.52 H new ATOM 0 HB3 ALA A 66 -11.920 -7.549 -0.093 1.00 11.52 H new ATOM 959 N TYR A 67 -12.882 -6.117 -3.440 1.00 61.11 N ATOM 960 CA TYR A 67 -13.009 -4.754 -3.916 1.00 73.44 C ATOM 961 C TYR A 67 -14.466 -4.333 -3.957 1.00 3.31 C ATOM 962 O TYR A 67 -15.344 -5.127 -4.296 1.00 73.44 O ATOM 963 CB TYR A 67 -12.358 -4.595 -5.298 1.00 43.52 C ATOM 964 CG TYR A 67 -12.879 -5.544 -6.358 1.00 51.00 C ATOM 965 CD1 TYR A 67 -12.292 -6.788 -6.550 1.00 33.41 C ATOM 966 CD2 TYR A 67 -13.949 -5.191 -7.176 1.00 2.40 C ATOM 967 CE1 TYR A 67 -12.755 -7.653 -7.521 1.00 30.15 C ATOM 968 CE2 TYR A 67 -14.416 -6.052 -8.150 1.00 72.41 C ATOM 969 CZ TYR A 67 -13.816 -7.280 -8.317 1.00 53.14 C ATOM 970 OH TYR A 67 -14.275 -8.137 -9.289 1.00 45.10 O ATOM 0 H TYR A 67 -13.597 -6.757 -3.786 1.00 61.11 H new ATOM 0 HA TYR A 67 -12.485 -4.101 -3.218 1.00 73.44 H new ATOM 0 HB2 TYR A 67 -12.510 -3.571 -5.640 1.00 43.52 H new ATOM 0 HB3 TYR A 67 -11.283 -4.741 -5.197 1.00 43.52 H new ATOM 0 HD1 TYR A 67 -11.459 -7.084 -5.929 1.00 33.41 H new ATOM 0 HD2 TYR A 67 -14.421 -4.228 -7.047 1.00 2.40 H new ATOM 0 HE1 TYR A 67 -12.288 -8.617 -7.656 1.00 30.15 H new ATOM 0 HE2 TYR A 67 -15.247 -5.764 -8.777 1.00 72.41 H new ATOM 0 HH TYR A 67 -15.028 -7.724 -9.761 1.00 45.10 H new ATOM 980 N LYS A 68 -14.718 -3.095 -3.575 1.00 70.40 N ATOM 981 CA LYS A 68 -16.052 -2.531 -3.627 1.00 53.22 C ATOM 982 C LYS A 68 -16.036 -1.208 -4.353 1.00 0.13 C ATOM 983 O LYS A 68 -15.108 -0.413 -4.210 1.00 53.24 O ATOM 984 CB LYS A 68 -16.626 -2.325 -2.228 1.00 31.11 C ATOM 985 CG LYS A 68 -16.939 -3.615 -1.506 1.00 4.11 C ATOM 986 CD LYS A 68 -17.327 -3.352 -0.062 1.00 10.11 C ATOM 987 CE LYS A 68 -17.560 -4.639 0.706 1.00 73.11 C ATOM 988 NZ LYS A 68 -17.975 -4.371 2.107 1.00 45.42 N ATOM 0 H LYS A 68 -14.007 -2.455 -3.222 1.00 70.40 H new ATOM 0 HA LYS A 68 -16.683 -3.239 -4.163 1.00 53.22 H new ATOM 0 HB2 LYS A 68 -15.916 -1.749 -1.634 1.00 31.11 H new ATOM 0 HB3 LYS A 68 -17.536 -1.730 -2.302 1.00 31.11 H new ATOM 0 HG2 LYS A 68 -17.751 -4.133 -2.016 1.00 4.11 H new ATOM 0 HG3 LYS A 68 -16.071 -4.274 -1.539 1.00 4.11 H new ATOM 0 HD2 LYS A 68 -16.541 -2.776 0.426 1.00 10.11 H new ATOM 0 HD3 LYS A 68 -18.231 -2.744 -0.034 1.00 10.11 H new ATOM 0 HE2 LYS A 68 -18.328 -5.229 0.205 1.00 73.11 H new ATOM 0 HE3 LYS A 68 -16.648 -5.235 0.704 1.00 73.11 H new ATOM 0 HZ1 LYS A 68 -18.126 -5.273 2.603 1.00 45.42 H new ATOM 0 HZ2 LYS A 68 -17.231 -3.829 2.592 1.00 45.42 H new ATOM 0 HZ3 LYS A 68 -18.859 -3.823 2.108 1.00 45.42 H new ATOM 1002 N ILE A 69 -17.059 -0.996 -5.141 1.00 61.44 N ATOM 1003 CA ILE A 69 -17.256 0.271 -5.819 1.00 34.03 C ATOM 1004 C ILE A 69 -18.650 0.777 -5.498 1.00 33.44 C ATOM 1005 O ILE A 69 -19.638 0.261 -6.019 1.00 14.33 O ATOM 1006 CB ILE A 69 -17.096 0.146 -7.353 1.00 54.24 C ATOM 1007 CG1 ILE A 69 -15.718 -0.428 -7.705 1.00 30.14 C ATOM 1008 CG2 ILE A 69 -17.292 1.504 -8.018 1.00 54.30 C ATOM 1009 CD1 ILE A 69 -15.512 -0.651 -9.189 1.00 13.02 C ATOM 0 H ILE A 69 -17.780 -1.691 -5.334 1.00 61.44 H new ATOM 0 HA ILE A 69 -16.494 0.967 -5.469 1.00 34.03 H new ATOM 0 HB ILE A 69 -17.859 -0.537 -7.726 1.00 54.24 H new ATOM 0 HG12 ILE A 69 -14.947 0.250 -7.338 1.00 30.14 H new ATOM 0 HG13 ILE A 69 -15.584 -1.375 -7.182 1.00 30.14 H new ATOM 0 HG21 ILE A 69 -17.177 1.401 -9.097 1.00 54.30 H new ATOM 0 HG22 ILE A 69 -18.291 1.878 -7.794 1.00 54.30 H new ATOM 0 HG23 ILE A 69 -16.549 2.205 -7.639 1.00 54.30 H new ATOM 0 HD11 ILE A 69 -14.516 -1.058 -9.361 1.00 13.02 H new ATOM 0 HD12 ILE A 69 -16.260 -1.353 -9.559 1.00 13.02 H new ATOM 0 HD13 ILE A 69 -15.612 0.297 -9.717 1.00 13.02 H new ATOM 1021 N LYS A 70 -18.737 1.758 -4.619 1.00 51.44 N ATOM 1022 CA LYS A 70 -20.028 2.255 -4.195 1.00 12.21 C ATOM 1023 C LYS A 70 -20.423 3.485 -4.992 1.00 44.01 C ATOM 1024 O LYS A 70 -19.718 4.497 -4.994 1.00 61.03 O ATOM 1025 CB LYS A 70 -20.031 2.559 -2.700 1.00 73.52 C ATOM 1026 CG LYS A 70 -21.371 3.062 -2.191 1.00 13.24 C ATOM 1027 CD LYS A 70 -21.466 2.993 -0.675 1.00 41.02 C ATOM 1028 CE LYS A 70 -21.488 1.554 -0.181 1.00 71.23 C ATOM 1029 NZ LYS A 70 -21.779 1.470 1.275 1.00 42.31 N ATOM 0 H LYS A 70 -17.936 2.221 -4.189 1.00 51.44 H new ATOM 0 HA LYS A 70 -20.766 1.475 -4.384 1.00 12.21 H new ATOM 0 HB2 LYS A 70 -19.758 1.657 -2.152 1.00 73.52 H new ATOM 0 HB3 LYS A 70 -19.266 3.305 -2.487 1.00 73.52 H new ATOM 0 HG2 LYS A 70 -21.520 4.091 -2.517 1.00 13.24 H new ATOM 0 HG3 LYS A 70 -22.172 2.469 -2.632 1.00 13.24 H new ATOM 0 HD2 LYS A 70 -20.619 3.517 -0.232 1.00 41.02 H new ATOM 0 HD3 LYS A 70 -22.368 3.506 -0.342 1.00 41.02 H new ATOM 0 HE2 LYS A 70 -22.241 0.992 -0.734 1.00 71.23 H new ATOM 0 HE3 LYS A 70 -20.526 1.085 -0.386 1.00 71.23 H new ATOM 0 HZ1 LYS A 70 -21.785 0.473 1.571 1.00 42.31 H new ATOM 0 HZ2 LYS A 70 -21.047 1.984 1.806 1.00 42.31 H new ATOM 0 HZ3 LYS A 70 -22.709 1.894 1.468 1.00 42.31 H new ATOM 1043 N ASP A 71 -21.555 3.376 -5.663 1.00 23.24 N ATOM 1044 CA ASP A 71 -22.088 4.452 -6.475 1.00 20.33 C ATOM 1045 C ASP A 71 -22.768 5.469 -5.575 1.00 33.43 C ATOM 1046 O ASP A 71 -23.911 5.270 -5.165 1.00 12.02 O ATOM 1047 CB ASP A 71 -23.111 3.910 -7.478 1.00 54.04 C ATOM 1048 CG ASP A 71 -22.586 2.771 -8.327 1.00 55.31 C ATOM 1049 OD1 ASP A 71 -21.881 3.033 -9.321 1.00 42.54 O ATOM 1050 OD2 ASP A 71 -22.906 1.603 -8.018 1.00 52.20 O ATOM 0 H ASP A 71 -22.132 2.535 -5.659 1.00 23.24 H new ATOM 0 HA ASP A 71 -21.268 4.919 -7.021 1.00 20.33 H new ATOM 0 HB2 ASP A 71 -23.994 3.571 -6.936 1.00 54.04 H new ATOM 0 HB3 ASP A 71 -23.431 4.721 -8.132 1.00 54.04 H new ATOM 1055 N LEU A 72 -22.061 6.530 -5.233 1.00 1.22 N ATOM 1056 CA LEU A 72 -22.623 7.566 -4.380 1.00 53.10 C ATOM 1057 C LEU A 72 -23.239 8.666 -5.232 1.00 73.34 C ATOM 1058 O LEU A 72 -23.265 8.575 -6.463 1.00 63.23 O ATOM 1059 CB LEU A 72 -21.548 8.148 -3.458 1.00 71.34 C ATOM 1060 CG LEU A 72 -20.883 7.146 -2.512 1.00 42.35 C ATOM 1061 CD1 LEU A 72 -19.740 7.803 -1.754 1.00 22.20 C ATOM 1062 CD2 LEU A 72 -21.903 6.577 -1.538 1.00 24.05 C ATOM 0 H LEU A 72 -21.100 6.699 -5.530 1.00 1.22 H new ATOM 0 HA LEU A 72 -23.401 7.121 -3.760 1.00 53.10 H new ATOM 0 HB2 LEU A 72 -20.775 8.608 -4.074 1.00 71.34 H new ATOM 0 HB3 LEU A 72 -21.996 8.943 -2.862 1.00 71.34 H new ATOM 0 HG LEU A 72 -20.478 6.329 -3.109 1.00 42.35 H new ATOM 0 HD11 LEU A 72 -19.280 7.074 -1.086 1.00 22.20 H new ATOM 0 HD12 LEU A 72 -18.996 8.167 -2.462 1.00 22.20 H new ATOM 0 HD13 LEU A 72 -20.124 8.639 -1.169 1.00 22.20 H new ATOM 0 HD21 LEU A 72 -21.413 5.866 -0.872 1.00 24.05 H new ATOM 0 HD22 LEU A 72 -22.335 7.386 -0.950 1.00 24.05 H new ATOM 0 HD23 LEU A 72 -22.692 6.070 -2.093 1.00 24.05 H new ATOM 1074 N GLU A 73 -23.733 9.702 -4.582 1.00 51.14 N ATOM 1075 CA GLU A 73 -24.355 10.805 -5.286 1.00 44.34 C ATOM 1076 C GLU A 73 -23.310 11.838 -5.695 1.00 75.21 C ATOM 1077 O GLU A 73 -22.830 12.614 -4.869 1.00 14.14 O ATOM 1078 CB GLU A 73 -25.447 11.457 -4.431 1.00 32.53 C ATOM 1079 CG GLU A 73 -26.631 10.545 -4.134 1.00 33.15 C ATOM 1080 CD GLU A 73 -26.435 9.685 -2.900 1.00 15.12 C ATOM 1081 OE1 GLU A 73 -25.831 8.599 -3.007 1.00 4.10 O ATOM 1082 OE2 GLU A 73 -26.901 10.092 -1.813 1.00 11.32 O ATOM 0 H GLU A 73 -23.715 9.802 -3.567 1.00 51.14 H new ATOM 0 HA GLU A 73 -24.822 10.408 -6.187 1.00 44.34 H new ATOM 0 HB2 GLU A 73 -25.009 11.784 -3.488 1.00 32.53 H new ATOM 0 HB3 GLU A 73 -25.809 12.350 -4.941 1.00 32.53 H new ATOM 0 HG2 GLU A 73 -27.526 11.154 -4.005 1.00 33.15 H new ATOM 0 HG3 GLU A 73 -26.807 9.899 -4.994 1.00 33.15 H new ATOM 1089 N GLY A 74 -22.935 11.809 -6.968 1.00 52.10 N ATOM 1090 CA GLY A 74 -21.966 12.758 -7.491 1.00 22.42 C ATOM 1091 C GLY A 74 -20.557 12.200 -7.492 1.00 21.12 C ATOM 1092 O GLY A 74 -19.726 12.583 -8.315 1.00 33.44 O ATOM 0 H GLY A 74 -23.287 11.140 -7.653 1.00 52.10 H new ATOM 0 HA2 GLY A 74 -22.245 13.036 -8.507 1.00 22.42 H new ATOM 0 HA3 GLY A 74 -21.993 13.669 -6.893 1.00 22.42 H new ATOM 1096 N GLN A 75 -20.296 11.285 -6.577 1.00 51.10 N ATOM 1097 CA GLN A 75 -18.979 10.682 -6.431 1.00 70.10 C ATOM 1098 C GLN A 75 -19.120 9.189 -6.185 1.00 3.51 C ATOM 1099 O GLN A 75 -20.228 8.665 -6.151 1.00 21.21 O ATOM 1100 CB GLN A 75 -18.226 11.341 -5.269 1.00 5.41 C ATOM 1101 CG GLN A 75 -19.015 11.376 -3.966 1.00 32.31 C ATOM 1102 CD GLN A 75 -18.237 12.003 -2.823 1.00 61.34 C ATOM 1103 OE1 GLN A 75 -17.370 12.848 -3.034 1.00 34.31 O ATOM 1104 NE2 GLN A 75 -18.561 11.613 -1.597 1.00 54.04 N ATOM 0 H GLN A 75 -20.988 10.937 -5.913 1.00 51.10 H new ATOM 0 HA GLN A 75 -18.412 10.837 -7.349 1.00 70.10 H new ATOM 0 HB2 GLN A 75 -17.292 10.804 -5.103 1.00 5.41 H new ATOM 0 HB3 GLN A 75 -17.962 12.360 -5.551 1.00 5.41 H new ATOM 0 HG2 GLN A 75 -19.938 11.935 -4.121 1.00 32.31 H new ATOM 0 HG3 GLN A 75 -19.299 10.360 -3.692 1.00 32.31 H new ATOM 0 HE21 GLN A 75 -19.286 10.909 -1.461 1.00 54.04 H new ATOM 0 HE22 GLN A 75 -18.085 12.017 -0.791 1.00 54.04 H new ATOM 1113 N VAL A 76 -18.002 8.503 -6.028 1.00 61.22 N ATOM 1114 CA VAL A 76 -18.016 7.086 -5.694 1.00 74.25 C ATOM 1115 C VAL A 76 -16.952 6.787 -4.652 1.00 12.41 C ATOM 1116 O VAL A 76 -15.994 7.545 -4.507 1.00 73.30 O ATOM 1117 CB VAL A 76 -17.773 6.187 -6.927 1.00 73.32 C ATOM 1118 CG1 VAL A 76 -18.912 6.303 -7.929 1.00 30.15 C ATOM 1119 CG2 VAL A 76 -16.444 6.521 -7.585 1.00 64.32 C ATOM 0 H VAL A 76 -17.069 8.904 -6.126 1.00 61.22 H new ATOM 0 HA VAL A 76 -19.009 6.863 -5.303 1.00 74.25 H new ATOM 0 HB VAL A 76 -17.736 5.154 -6.582 1.00 73.32 H new ATOM 0 HG11 VAL A 76 -18.711 5.659 -8.785 1.00 30.15 H new ATOM 0 HG12 VAL A 76 -19.845 5.997 -7.456 1.00 30.15 H new ATOM 0 HG13 VAL A 76 -18.997 7.336 -8.265 1.00 30.15 H new ATOM 0 HG21 VAL A 76 -16.294 5.876 -8.451 1.00 64.32 H new ATOM 0 HG22 VAL A 76 -16.448 7.563 -7.905 1.00 64.32 H new ATOM 0 HG23 VAL A 76 -15.635 6.364 -6.871 1.00 64.32 H new ATOM 1129 N GLU A 77 -17.116 5.697 -3.927 1.00 71.12 N ATOM 1130 CA GLU A 77 -16.110 5.287 -2.963 1.00 65.41 C ATOM 1131 C GLU A 77 -15.528 3.941 -3.363 1.00 15.53 C ATOM 1132 O GLU A 77 -16.258 2.964 -3.546 1.00 3.33 O ATOM 1133 CB GLU A 77 -16.686 5.231 -1.547 1.00 73.42 C ATOM 1134 CG GLU A 77 -15.637 4.941 -0.481 1.00 75.05 C ATOM 1135 CD GLU A 77 -16.172 5.064 0.930 1.00 61.14 C ATOM 1136 OE1 GLU A 77 -17.026 4.243 1.322 1.00 54.52 O ATOM 1137 OE2 GLU A 77 -15.744 5.986 1.657 1.00 40.54 O ATOM 0 H GLU A 77 -17.929 5.083 -3.985 1.00 71.12 H new ATOM 0 HA GLU A 77 -15.313 6.030 -2.962 1.00 65.41 H new ATOM 0 HB2 GLU A 77 -17.170 6.181 -1.321 1.00 73.42 H new ATOM 0 HB3 GLU A 77 -17.458 4.462 -1.506 1.00 73.42 H new ATOM 0 HG2 GLU A 77 -15.247 3.934 -0.628 1.00 75.05 H new ATOM 0 HG3 GLU A 77 -14.800 5.628 -0.607 1.00 75.05 H new ATOM 1144 N LEU A 78 -14.216 3.919 -3.530 1.00 30.43 N ATOM 1145 CA LEU A 78 -13.503 2.714 -3.912 1.00 64.44 C ATOM 1146 C LEU A 78 -12.943 2.038 -2.669 1.00 73.41 C ATOM 1147 O LEU A 78 -12.158 2.636 -1.928 1.00 40.45 O ATOM 1148 CB LEU A 78 -12.380 3.080 -4.901 1.00 2.21 C ATOM 1149 CG LEU A 78 -11.629 1.917 -5.575 1.00 34.23 C ATOM 1150 CD1 LEU A 78 -10.624 1.281 -4.626 1.00 53.32 C ATOM 1151 CD2 LEU A 78 -12.611 0.876 -6.094 1.00 73.24 C ATOM 0 H LEU A 78 -13.617 4.735 -3.405 1.00 30.43 H new ATOM 0 HA LEU A 78 -14.181 2.016 -4.402 1.00 64.44 H new ATOM 0 HB2 LEU A 78 -12.810 3.704 -5.685 1.00 2.21 H new ATOM 0 HB3 LEU A 78 -11.650 3.692 -4.371 1.00 2.21 H new ATOM 0 HG LEU A 78 -11.075 2.324 -6.421 1.00 34.23 H new ATOM 0 HD11 LEU A 78 -10.111 0.464 -5.133 1.00 53.32 H new ATOM 0 HD12 LEU A 78 -9.895 2.029 -4.314 1.00 53.32 H new ATOM 0 HD13 LEU A 78 -11.145 0.894 -3.750 1.00 53.32 H new ATOM 0 HD21 LEU A 78 -12.062 0.062 -6.567 1.00 73.24 H new ATOM 0 HD22 LEU A 78 -13.198 0.484 -5.264 1.00 73.24 H new ATOM 0 HD23 LEU A 78 -13.277 1.336 -6.824 1.00 73.24 H new ATOM 1163 N ASP A 79 -13.360 0.803 -2.442 1.00 63.11 N ATOM 1164 CA ASP A 79 -12.866 0.017 -1.323 1.00 62.44 C ATOM 1165 C ASP A 79 -11.944 -1.084 -1.813 1.00 33.44 C ATOM 1166 O ASP A 79 -12.369 -1.978 -2.547 1.00 72.55 O ATOM 1167 CB ASP A 79 -14.018 -0.612 -0.538 1.00 54.25 C ATOM 1168 CG ASP A 79 -14.749 0.374 0.346 1.00 72.54 C ATOM 1169 OD1 ASP A 79 -14.184 0.780 1.382 1.00 13.01 O ATOM 1170 OD2 ASP A 79 -15.908 0.711 0.037 1.00 50.12 O ATOM 0 H ASP A 79 -14.045 0.320 -3.023 1.00 63.11 H new ATOM 0 HA ASP A 79 -12.316 0.692 -0.667 1.00 62.44 H new ATOM 0 HB2 ASP A 79 -14.726 -1.056 -1.238 1.00 54.25 H new ATOM 0 HB3 ASP A 79 -13.629 -1.422 0.078 1.00 54.25 H new ATOM 1175 N ALA A 80 -10.688 -1.012 -1.417 1.00 4.12 N ATOM 1176 CA ALA A 80 -9.726 -2.054 -1.735 1.00 23.21 C ATOM 1177 C ALA A 80 -9.357 -2.824 -0.476 1.00 72.13 C ATOM 1178 O ALA A 80 -9.015 -2.224 0.542 1.00 33.44 O ATOM 1179 CB ALA A 80 -8.485 -1.452 -2.379 1.00 25.41 C ATOM 0 H ALA A 80 -10.307 -0.239 -0.871 1.00 4.12 H new ATOM 0 HA ALA A 80 -10.178 -2.746 -2.446 1.00 23.21 H new ATOM 0 HB1 ALA A 80 -7.774 -2.245 -2.611 1.00 25.41 H new ATOM 0 HB2 ALA A 80 -8.766 -0.936 -3.297 1.00 25.41 H new ATOM 0 HB3 ALA A 80 -8.025 -0.743 -1.690 1.00 25.41 H new ATOM 1185 N ALA A 81 -9.456 -4.144 -0.537 1.00 72.10 N ATOM 1186 CA ALA A 81 -9.111 -4.991 0.593 1.00 73.03 C ATOM 1187 C ALA A 81 -8.238 -6.158 0.144 1.00 32.02 C ATOM 1188 O ALA A 81 -8.724 -7.114 -0.464 1.00 61.35 O ATOM 1189 CB ALA A 81 -10.371 -5.500 1.279 1.00 73.43 C ATOM 0 H ALA A 81 -9.774 -4.653 -1.362 1.00 72.10 H new ATOM 0 HA ALA A 81 -8.544 -4.396 1.308 1.00 73.03 H new ATOM 0 HB1 ALA A 81 -10.096 -6.133 2.123 1.00 73.43 H new ATOM 0 HB2 ALA A 81 -10.958 -4.654 1.636 1.00 73.43 H new ATOM 0 HB3 ALA A 81 -10.963 -6.079 0.570 1.00 73.43 H new ATOM 1195 N PHE A 82 -6.949 -6.067 0.424 1.00 65.23 N ATOM 1196 CA PHE A 82 -6.008 -7.114 0.048 1.00 60.34 C ATOM 1197 C PHE A 82 -5.450 -7.804 1.287 1.00 62.54 C ATOM 1198 O PHE A 82 -5.016 -7.142 2.228 1.00 24.31 O ATOM 1199 CB PHE A 82 -4.859 -6.528 -0.777 1.00 12.40 C ATOM 1200 CG PHE A 82 -5.268 -6.033 -2.136 1.00 12.54 C ATOM 1201 CD1 PHE A 82 -5.902 -4.810 -2.284 1.00 64.54 C ATOM 1202 CD2 PHE A 82 -5.008 -6.789 -3.265 1.00 63.22 C ATOM 1203 CE1 PHE A 82 -6.273 -4.355 -3.534 1.00 3.13 C ATOM 1204 CE2 PHE A 82 -5.376 -6.339 -4.519 1.00 4.03 C ATOM 1205 CZ PHE A 82 -6.008 -5.119 -4.654 1.00 23.25 C ATOM 0 H PHE A 82 -6.527 -5.277 0.912 1.00 65.23 H new ATOM 0 HA PHE A 82 -6.541 -7.849 -0.555 1.00 60.34 H new ATOM 0 HB2 PHE A 82 -4.411 -5.704 -0.222 1.00 12.40 H new ATOM 0 HB3 PHE A 82 -4.087 -7.288 -0.896 1.00 12.40 H new ATOM 0 HD1 PHE A 82 -6.108 -4.206 -1.413 1.00 64.54 H new ATOM 0 HD2 PHE A 82 -4.511 -7.743 -3.165 1.00 63.22 H new ATOM 0 HE1 PHE A 82 -6.770 -3.402 -3.636 1.00 3.13 H new ATOM 0 HE2 PHE A 82 -5.170 -6.941 -5.392 1.00 4.03 H new ATOM 0 HZ PHE A 82 -6.294 -4.763 -5.633 1.00 23.25 H new ATOM 1215 N THR A 83 -5.466 -9.127 1.289 1.00 34.31 N ATOM 1216 CA THR A 83 -4.934 -9.887 2.405 1.00 54.33 C ATOM 1217 C THR A 83 -3.624 -10.558 2.006 1.00 14.24 C ATOM 1218 O THR A 83 -3.615 -11.480 1.189 1.00 11.34 O ATOM 1219 CB THR A 83 -5.934 -10.955 2.888 1.00 5.52 C ATOM 1220 OG1 THR A 83 -7.227 -10.361 3.071 1.00 1.01 O ATOM 1221 CG2 THR A 83 -5.475 -11.575 4.198 1.00 22.14 C ATOM 0 H THR A 83 -5.842 -9.695 0.530 1.00 34.31 H new ATOM 0 HA THR A 83 -4.755 -9.191 3.224 1.00 54.33 H new ATOM 0 HB THR A 83 -5.990 -11.738 2.132 1.00 5.52 H new ATOM 0 HG1 THR A 83 -7.860 -11.044 3.376 1.00 1.01 H new ATOM 0 HG21 THR A 83 -6.198 -12.326 4.518 1.00 22.14 H new ATOM 0 HG22 THR A 83 -4.502 -12.045 4.057 1.00 22.14 H new ATOM 0 HG23 THR A 83 -5.396 -10.799 4.960 1.00 22.14 H new ATOM 1229 N PHE A 84 -2.525 -10.073 2.565 1.00 21.32 N ATOM 1230 CA PHE A 84 -1.207 -10.603 2.242 1.00 24.42 C ATOM 1231 C PHE A 84 -0.734 -11.563 3.324 1.00 74.24 C ATOM 1232 O PHE A 84 -1.363 -11.681 4.379 1.00 64.42 O ATOM 1233 CB PHE A 84 -0.202 -9.462 2.076 1.00 5.10 C ATOM 1234 CG PHE A 84 -0.607 -8.454 1.036 1.00 13.53 C ATOM 1235 CD1 PHE A 84 -0.568 -8.775 -0.312 1.00 3.25 C ATOM 1236 CD2 PHE A 84 -1.027 -7.186 1.408 1.00 71.11 C ATOM 1237 CE1 PHE A 84 -0.939 -7.851 -1.270 1.00 0.31 C ATOM 1238 CE2 PHE A 84 -1.400 -6.259 0.454 1.00 54.12 C ATOM 1239 CZ PHE A 84 -1.356 -6.592 -0.886 1.00 14.54 C ATOM 0 H PHE A 84 -2.519 -9.313 3.245 1.00 21.32 H new ATOM 0 HA PHE A 84 -1.279 -11.150 1.302 1.00 24.42 H new ATOM 0 HB2 PHE A 84 -0.078 -8.955 3.033 1.00 5.10 H new ATOM 0 HB3 PHE A 84 0.769 -9.879 1.808 1.00 5.10 H new ATOM 0 HD1 PHE A 84 -0.244 -9.759 -0.617 1.00 3.25 H new ATOM 0 HD2 PHE A 84 -1.063 -6.920 2.454 1.00 71.11 H new ATOM 0 HE1 PHE A 84 -0.903 -8.113 -2.317 1.00 0.31 H new ATOM 0 HE2 PHE A 84 -1.726 -5.274 0.756 1.00 54.12 H new ATOM 0 HZ PHE A 84 -1.648 -5.868 -1.633 1.00 14.54 H new ATOM 1249 N SER A 85 0.375 -12.241 3.062 1.00 71.53 N ATOM 1250 CA SER A 85 0.921 -13.206 4.004 1.00 12.45 C ATOM 1251 C SER A 85 1.825 -12.512 5.017 1.00 23.34 C ATOM 1252 O SER A 85 1.748 -12.774 6.219 1.00 72.54 O ATOM 1253 CB SER A 85 1.700 -14.289 3.256 1.00 52.22 C ATOM 1254 OG SER A 85 0.921 -14.847 2.203 1.00 14.44 O ATOM 0 H SER A 85 0.915 -12.140 2.202 1.00 71.53 H new ATOM 0 HA SER A 85 0.095 -13.672 4.541 1.00 12.45 H new ATOM 0 HB2 SER A 85 2.618 -13.865 2.848 1.00 52.22 H new ATOM 0 HB3 SER A 85 1.994 -15.076 3.951 1.00 52.22 H new ATOM 0 HG SER A 85 1.442 -15.535 1.740 1.00 14.44 H new ATOM 1260 N CYS A 86 2.677 -11.626 4.527 1.00 24.43 N ATOM 1261 CA CYS A 86 3.594 -10.897 5.384 1.00 42.34 C ATOM 1262 C CYS A 86 3.221 -9.418 5.422 1.00 73.33 C ATOM 1263 O CYS A 86 2.768 -8.858 4.420 1.00 14.40 O ATOM 1264 CB CYS A 86 5.023 -11.074 4.874 1.00 51.31 C ATOM 1265 SG CYS A 86 5.470 -12.797 4.553 1.00 41.24 S ATOM 0 H CYS A 86 2.752 -11.395 3.536 1.00 24.43 H new ATOM 0 HA CYS A 86 3.527 -11.293 6.397 1.00 42.34 H new ATOM 0 HB2 CYS A 86 5.146 -10.499 3.956 1.00 51.31 H new ATOM 0 HB3 CYS A 86 5.715 -10.658 5.606 1.00 51.31 H new ATOM 0 HG CYS A 86 6.695 -12.854 4.122 1.00 41.24 H new ATOM 1271 N GLN A 87 3.414 -8.784 6.574 1.00 42.01 N ATOM 1272 CA GLN A 87 3.085 -7.373 6.724 1.00 23.12 C ATOM 1273 C GLN A 87 4.035 -6.517 5.899 1.00 54.23 C ATOM 1274 O GLN A 87 3.667 -5.441 5.433 1.00 74.23 O ATOM 1275 CB GLN A 87 3.121 -6.959 8.198 1.00 52.23 C ATOM 1276 CG GLN A 87 2.925 -5.465 8.418 1.00 63.31 C ATOM 1277 CD GLN A 87 2.429 -5.143 9.814 1.00 3.35 C ATOM 1278 OE1 GLN A 87 3.215 -4.925 10.734 1.00 5.40 O ATOM 1279 NE2 GLN A 87 1.118 -5.114 9.980 1.00 14.23 N ATOM 0 H GLN A 87 3.794 -9.223 7.412 1.00 42.01 H new ATOM 0 HA GLN A 87 2.071 -7.215 6.356 1.00 23.12 H new ATOM 0 HB2 GLN A 87 2.345 -7.502 8.738 1.00 52.23 H new ATOM 0 HB3 GLN A 87 4.077 -7.258 8.627 1.00 52.23 H new ATOM 0 HG2 GLN A 87 3.869 -4.949 8.243 1.00 63.31 H new ATOM 0 HG3 GLN A 87 2.213 -5.084 7.686 1.00 63.31 H new ATOM 0 HE21 GLN A 87 0.500 -5.301 9.191 1.00 14.23 H new ATOM 0 HE22 GLN A 87 0.725 -4.905 10.898 1.00 14.23 H new ATOM 1288 N ALA A 88 5.247 -7.021 5.702 1.00 24.14 N ATOM 1289 CA ALA A 88 6.231 -6.353 4.861 1.00 42.01 C ATOM 1290 C ALA A 88 5.681 -6.141 3.457 1.00 11.32 C ATOM 1291 O ALA A 88 5.931 -5.115 2.831 1.00 52.33 O ATOM 1292 CB ALA A 88 7.524 -7.155 4.814 1.00 33.32 C ATOM 0 H ALA A 88 5.573 -7.895 6.116 1.00 24.14 H new ATOM 0 HA ALA A 88 6.447 -5.376 5.294 1.00 42.01 H new ATOM 0 HB1 ALA A 88 8.248 -6.641 4.181 1.00 33.32 H new ATOM 0 HB2 ALA A 88 7.928 -7.253 5.822 1.00 33.32 H new ATOM 0 HB3 ALA A 88 7.323 -8.145 4.405 1.00 33.32 H new ATOM 1298 N GLU A 89 4.906 -7.109 2.985 1.00 45.54 N ATOM 1299 CA GLU A 89 4.291 -7.031 1.667 1.00 34.42 C ATOM 1300 C GLU A 89 3.140 -6.037 1.687 1.00 60.43 C ATOM 1301 O GLU A 89 2.891 -5.337 0.707 1.00 13.25 O ATOM 1302 CB GLU A 89 3.773 -8.407 1.243 1.00 25.04 C ATOM 1303 CG GLU A 89 4.799 -9.515 1.385 1.00 55.23 C ATOM 1304 CD GLU A 89 4.235 -10.873 1.025 1.00 42.01 C ATOM 1305 OE1 GLU A 89 3.551 -11.488 1.874 1.00 71.31 O ATOM 1306 OE2 GLU A 89 4.473 -11.331 -0.108 1.00 23.51 O ATOM 0 H GLU A 89 4.688 -7.962 3.499 1.00 45.54 H new ATOM 0 HA GLU A 89 5.042 -6.697 0.951 1.00 34.42 H new ATOM 0 HB2 GLU A 89 2.897 -8.656 1.842 1.00 25.04 H new ATOM 0 HB3 GLU A 89 3.446 -8.358 0.205 1.00 25.04 H new ATOM 0 HG2 GLU A 89 5.654 -9.299 0.745 1.00 55.23 H new ATOM 0 HG3 GLU A 89 5.166 -9.537 2.411 1.00 55.23 H new ATOM 1313 N MET A 90 2.452 -5.974 2.818 1.00 43.13 N ATOM 1314 CA MET A 90 1.304 -5.089 2.976 1.00 64.13 C ATOM 1315 C MET A 90 1.750 -3.632 2.961 1.00 2.22 C ATOM 1316 O MET A 90 1.197 -2.811 2.225 1.00 62.22 O ATOM 1317 CB MET A 90 0.568 -5.420 4.284 1.00 4.55 C ATOM 1318 CG MET A 90 -0.811 -4.777 4.420 1.00 4.11 C ATOM 1319 SD MET A 90 -0.758 -3.017 4.821 1.00 24.25 S ATOM 1320 CE MET A 90 -0.019 -3.057 6.452 1.00 60.31 C ATOM 0 H MET A 90 2.670 -6.529 3.646 1.00 43.13 H new ATOM 0 HA MET A 90 0.620 -5.241 2.142 1.00 64.13 H new ATOM 0 HB2 MET A 90 0.459 -6.502 4.360 1.00 4.55 H new ATOM 0 HB3 MET A 90 1.186 -5.103 5.124 1.00 4.55 H new ATOM 0 HG2 MET A 90 -1.358 -4.911 3.487 1.00 4.11 H new ATOM 0 HG3 MET A 90 -1.371 -5.300 5.195 1.00 4.11 H new ATOM 0 HE1 MET A 90 -0.732 -2.677 7.184 1.00 60.31 H new ATOM 0 HE2 MET A 90 0.249 -4.083 6.705 1.00 60.31 H new ATOM 0 HE3 MET A 90 0.876 -2.436 6.461 1.00 60.31 H new ATOM 1330 N ILE A 91 2.769 -3.318 3.753 1.00 23.43 N ATOM 1331 CA ILE A 91 3.243 -1.951 3.874 1.00 31.32 C ATOM 1332 C ILE A 91 3.858 -1.443 2.568 1.00 51.25 C ATOM 1333 O ILE A 91 3.561 -0.331 2.139 1.00 71.13 O ATOM 1334 CB ILE A 91 4.252 -1.792 5.031 1.00 41.22 C ATOM 1335 CG1 ILE A 91 5.342 -2.862 4.963 1.00 14.44 C ATOM 1336 CG2 ILE A 91 3.531 -1.855 6.370 1.00 21.11 C ATOM 1337 CD1 ILE A 91 6.480 -2.637 5.935 1.00 54.21 C ATOM 0 H ILE A 91 3.281 -3.994 4.320 1.00 23.43 H new ATOM 0 HA ILE A 91 2.367 -1.342 4.099 1.00 31.32 H new ATOM 0 HB ILE A 91 4.730 -0.818 4.932 1.00 41.22 H new ATOM 0 HG12 ILE A 91 4.895 -3.836 5.161 1.00 14.44 H new ATOM 0 HG13 ILE A 91 5.743 -2.895 3.950 1.00 14.44 H new ATOM 0 HG21 ILE A 91 4.254 -1.742 7.178 1.00 21.11 H new ATOM 0 HG22 ILE A 91 2.796 -1.052 6.425 1.00 21.11 H new ATOM 0 HG23 ILE A 91 3.026 -2.816 6.467 1.00 21.11 H new ATOM 0 HD11 ILE A 91 7.213 -3.436 5.828 1.00 54.21 H new ATOM 0 HD12 ILE A 91 6.954 -1.678 5.724 1.00 54.21 H new ATOM 0 HD13 ILE A 91 6.093 -2.634 6.954 1.00 54.21 H new ATOM 1349 N ILE A 92 4.698 -2.254 1.922 1.00 42.50 N ATOM 1350 CA ILE A 92 5.312 -1.847 0.661 1.00 45.32 C ATOM 1351 C ILE A 92 4.246 -1.642 -0.409 1.00 40.05 C ATOM 1352 O ILE A 92 4.391 -0.799 -1.295 1.00 11.34 O ATOM 1353 CB ILE A 92 6.361 -2.868 0.156 1.00 55.14 C ATOM 1354 CG1 ILE A 92 5.730 -4.245 -0.066 1.00 62.40 C ATOM 1355 CG2 ILE A 92 7.528 -2.958 1.131 1.00 3.24 C ATOM 1356 CD1 ILE A 92 6.679 -5.263 -0.663 1.00 41.14 C ATOM 0 H ILE A 92 4.965 -3.183 2.247 1.00 42.50 H new ATOM 0 HA ILE A 92 5.829 -0.907 0.854 1.00 45.32 H new ATOM 0 HB ILE A 92 6.739 -2.518 -0.804 1.00 55.14 H new ATOM 0 HG12 ILE A 92 5.360 -4.623 0.887 1.00 62.40 H new ATOM 0 HG13 ILE A 92 4.867 -4.137 -0.723 1.00 62.40 H new ATOM 0 HG21 ILE A 92 8.256 -3.680 0.761 1.00 3.24 H new ATOM 0 HG22 ILE A 92 8.001 -1.980 1.224 1.00 3.24 H new ATOM 0 HG23 ILE A 92 7.163 -3.278 2.107 1.00 3.24 H new ATOM 0 HD11 ILE A 92 6.160 -6.213 -0.791 1.00 41.14 H new ATOM 0 HD12 ILE A 92 7.030 -4.908 -1.632 1.00 41.14 H new ATOM 0 HD13 ILE A 92 7.530 -5.401 0.003 1.00 41.14 H new ATOM 1368 N PHE A 93 3.167 -2.403 -0.301 1.00 64.34 N ATOM 1369 CA PHE A 93 2.070 -2.325 -1.249 1.00 52.02 C ATOM 1370 C PHE A 93 1.355 -0.981 -1.153 1.00 43.13 C ATOM 1371 O PHE A 93 1.199 -0.283 -2.155 1.00 43.31 O ATOM 1372 CB PHE A 93 1.088 -3.473 -0.990 1.00 71.41 C ATOM 1373 CG PHE A 93 -0.140 -3.444 -1.853 1.00 2.42 C ATOM 1374 CD1 PHE A 93 -0.088 -3.873 -3.171 1.00 33.31 C ATOM 1375 CD2 PHE A 93 -1.349 -3.002 -1.341 1.00 43.45 C ATOM 1376 CE1 PHE A 93 -1.220 -3.857 -3.960 1.00 23.33 C ATOM 1377 CE2 PHE A 93 -2.483 -2.984 -2.127 1.00 23.43 C ATOM 1378 CZ PHE A 93 -2.417 -3.415 -3.437 1.00 12.22 C ATOM 0 H PHE A 93 3.029 -3.088 0.442 1.00 64.34 H new ATOM 0 HA PHE A 93 2.473 -2.414 -2.258 1.00 52.02 H new ATOM 0 HB2 PHE A 93 1.605 -4.420 -1.146 1.00 71.41 H new ATOM 0 HB3 PHE A 93 0.783 -3.445 0.056 1.00 71.41 H new ATOM 0 HD1 PHE A 93 0.847 -4.223 -3.583 1.00 33.31 H new ATOM 0 HD2 PHE A 93 -1.405 -2.668 -0.315 1.00 43.45 H new ATOM 0 HE1 PHE A 93 -1.169 -4.190 -4.986 1.00 23.33 H new ATOM 0 HE2 PHE A 93 -3.419 -2.634 -1.719 1.00 23.43 H new ATOM 0 HZ PHE A 93 -3.304 -3.406 -4.053 1.00 12.22 H new ATOM 1388 N GLU A 94 0.954 -0.603 0.055 1.00 0.24 N ATOM 1389 CA GLU A 94 0.176 0.613 0.241 1.00 44.02 C ATOM 1390 C GLU A 94 1.049 1.856 0.078 1.00 43.44 C ATOM 1391 O GLU A 94 0.568 2.912 -0.333 1.00 31.41 O ATOM 1392 CB GLU A 94 -0.549 0.598 1.594 1.00 23.54 C ATOM 1393 CG GLU A 94 0.353 0.648 2.814 1.00 22.21 C ATOM 1394 CD GLU A 94 0.338 2.010 3.478 1.00 71.43 C ATOM 1395 OE1 GLU A 94 -0.756 2.609 3.592 1.00 71.01 O ATOM 1396 OE2 GLU A 94 1.408 2.488 3.898 1.00 15.11 O ATOM 0 H GLU A 94 1.153 -1.117 0.913 1.00 0.24 H new ATOM 0 HA GLU A 94 -0.586 0.651 -0.537 1.00 44.02 H new ATOM 0 HB2 GLU A 94 -1.231 1.448 1.632 1.00 23.54 H new ATOM 0 HB3 GLU A 94 -1.159 -0.303 1.651 1.00 23.54 H new ATOM 0 HG2 GLU A 94 0.034 -0.108 3.531 1.00 22.21 H new ATOM 0 HG3 GLU A 94 1.373 0.399 2.521 1.00 22.21 H new ATOM 1403 N LEU A 95 2.334 1.727 0.379 1.00 22.42 N ATOM 1404 CA LEU A 95 3.274 2.824 0.180 1.00 62.42 C ATOM 1405 C LEU A 95 3.494 3.083 -1.309 1.00 1.15 C ATOM 1406 O LEU A 95 3.550 4.235 -1.748 1.00 64.44 O ATOM 1407 CB LEU A 95 4.610 2.529 0.869 1.00 20.32 C ATOM 1408 CG LEU A 95 4.584 2.588 2.401 1.00 21.14 C ATOM 1409 CD1 LEU A 95 5.936 2.192 2.976 1.00 35.53 C ATOM 1410 CD2 LEU A 95 4.190 3.980 2.878 1.00 73.34 C ATOM 0 H LEU A 95 2.749 0.877 0.761 1.00 22.42 H new ATOM 0 HA LEU A 95 2.845 3.720 0.629 1.00 62.42 H new ATOM 0 HB2 LEU A 95 4.945 1.537 0.566 1.00 20.32 H new ATOM 0 HB3 LEU A 95 5.352 3.241 0.507 1.00 20.32 H new ATOM 0 HG LEU A 95 3.837 1.878 2.757 1.00 21.14 H new ATOM 0 HD11 LEU A 95 5.897 2.240 4.064 1.00 35.53 H new ATOM 0 HD12 LEU A 95 6.179 1.176 2.666 1.00 35.53 H new ATOM 0 HD13 LEU A 95 6.702 2.876 2.610 1.00 35.53 H new ATOM 0 HD21 LEU A 95 4.177 4.001 3.968 1.00 73.34 H new ATOM 0 HD22 LEU A 95 4.912 4.709 2.509 1.00 73.34 H new ATOM 0 HD23 LEU A 95 3.199 4.227 2.499 1.00 73.34 H new ATOM 1422 N SER A 96 3.593 2.013 -2.089 1.00 33.35 N ATOM 1423 CA SER A 96 3.805 2.131 -3.527 1.00 5.54 C ATOM 1424 C SER A 96 2.581 2.725 -4.222 1.00 23.10 C ATOM 1425 O SER A 96 2.698 3.301 -5.301 1.00 10.30 O ATOM 1426 CB SER A 96 4.142 0.768 -4.132 1.00 5.44 C ATOM 1427 OG SER A 96 5.314 0.227 -3.545 1.00 5.04 O ATOM 0 H SER A 96 3.530 1.053 -1.750 1.00 33.35 H new ATOM 0 HA SER A 96 4.646 2.807 -3.684 1.00 5.54 H new ATOM 0 HB2 SER A 96 3.307 0.083 -3.983 1.00 5.44 H new ATOM 0 HB3 SER A 96 4.283 0.869 -5.208 1.00 5.44 H new ATOM 0 HG SER A 96 5.067 -0.478 -2.911 1.00 5.04 H new ATOM 1433 N LEU A 97 1.414 2.591 -3.592 1.00 32.44 N ATOM 1434 CA LEU A 97 0.174 3.139 -4.141 1.00 15.12 C ATOM 1435 C LEU A 97 0.312 4.631 -4.429 1.00 11.11 C ATOM 1436 O LEU A 97 0.016 5.091 -5.533 1.00 4.51 O ATOM 1437 CB LEU A 97 -0.997 2.915 -3.180 1.00 32.13 C ATOM 1438 CG LEU A 97 -1.354 1.453 -2.903 1.00 64.11 C ATOM 1439 CD1 LEU A 97 -2.547 1.369 -1.964 1.00 23.24 C ATOM 1440 CD2 LEU A 97 -1.643 0.717 -4.200 1.00 34.33 C ATOM 0 H LEU A 97 1.301 2.108 -2.701 1.00 32.44 H new ATOM 0 HA LEU A 97 -0.025 2.615 -5.076 1.00 15.12 H new ATOM 0 HB2 LEU A 97 -0.763 3.399 -2.232 1.00 32.13 H new ATOM 0 HB3 LEU A 97 -1.877 3.415 -3.585 1.00 32.13 H new ATOM 0 HG LEU A 97 -0.500 0.975 -2.423 1.00 64.11 H new ATOM 0 HD11 LEU A 97 -2.789 0.323 -1.776 1.00 23.24 H new ATOM 0 HD12 LEU A 97 -2.304 1.860 -1.022 1.00 23.24 H new ATOM 0 HD13 LEU A 97 -3.405 1.864 -2.420 1.00 23.24 H new ATOM 0 HD21 LEU A 97 -1.895 -0.321 -3.981 1.00 34.33 H new ATOM 0 HD22 LEU A 97 -2.480 1.194 -4.710 1.00 34.33 H new ATOM 0 HD23 LEU A 97 -0.762 0.749 -4.841 1.00 34.33 H new ATOM 1452 N ARG A 98 0.761 5.386 -3.435 1.00 5.31 N ATOM 1453 CA ARG A 98 0.924 6.824 -3.608 1.00 43.10 C ATOM 1454 C ARG A 98 2.191 7.148 -4.396 1.00 10.13 C ATOM 1455 O ARG A 98 2.194 8.050 -5.227 1.00 21.14 O ATOM 1456 CB ARG A 98 0.925 7.582 -2.272 1.00 11.23 C ATOM 1457 CG ARG A 98 1.804 6.966 -1.208 1.00 20.41 C ATOM 1458 CD ARG A 98 1.031 5.958 -0.385 1.00 72.24 C ATOM 1459 NE ARG A 98 0.483 6.551 0.834 1.00 43.22 N ATOM 1460 CZ ARG A 98 -0.092 5.854 1.816 1.00 75.43 C ATOM 1461 NH1 ARG A 98 -0.205 4.537 1.727 1.00 4.32 N ATOM 1462 NH2 ARG A 98 -0.550 6.486 2.887 1.00 43.40 N ATOM 0 H ARG A 98 1.016 5.033 -2.512 1.00 5.31 H new ATOM 0 HA ARG A 98 0.058 7.162 -4.177 1.00 43.10 H new ATOM 0 HB2 ARG A 98 1.253 8.606 -2.449 1.00 11.23 H new ATOM 0 HB3 ARG A 98 -0.097 7.635 -1.897 1.00 11.23 H new ATOM 0 HG2 ARG A 98 2.660 6.480 -1.675 1.00 20.41 H new ATOM 0 HG3 ARG A 98 2.197 7.748 -0.558 1.00 20.41 H new ATOM 0 HD2 ARG A 98 0.219 5.547 -0.985 1.00 72.24 H new ATOM 0 HD3 ARG A 98 1.685 5.127 -0.121 1.00 72.24 H new ATOM 0 HE ARG A 98 0.544 7.564 0.941 1.00 43.22 H new ATOM 0 HH11 ARG A 98 0.149 4.049 0.904 1.00 4.32 H new ATOM 0 HH12 ARG A 98 -0.646 4.011 2.482 1.00 4.32 H new ATOM 0 HH21 ARG A 98 -0.462 7.500 2.957 1.00 43.40 H new ATOM 0 HH22 ARG A 98 -0.990 5.959 3.641 1.00 43.40 H new ATOM 1476 N SER A 99 3.256 6.388 -4.163 1.00 32.44 N ATOM 1477 CA SER A 99 4.551 6.684 -4.767 1.00 14.23 C ATOM 1478 C SER A 99 4.563 6.392 -6.267 1.00 12.30 C ATOM 1479 O SER A 99 5.496 6.781 -6.970 1.00 52.41 O ATOM 1480 CB SER A 99 5.657 5.885 -4.073 1.00 31.35 C ATOM 1481 OG SER A 99 6.928 6.181 -4.630 1.00 62.31 O ATOM 0 H SER A 99 3.249 5.564 -3.562 1.00 32.44 H new ATOM 0 HA SER A 99 4.734 7.750 -4.634 1.00 14.23 H new ATOM 0 HB2 SER A 99 5.661 6.114 -3.007 1.00 31.35 H new ATOM 0 HB3 SER A 99 5.454 4.818 -4.169 1.00 31.35 H new ATOM 0 HG SER A 99 7.350 6.902 -4.118 1.00 62.31 H new ATOM 1487 N LEU A 100 3.545 5.698 -6.752 1.00 34.11 N ATOM 1488 CA LEU A 100 3.454 5.392 -8.168 1.00 73.11 C ATOM 1489 C LEU A 100 3.006 6.621 -8.944 1.00 72.54 C ATOM 1490 O LEU A 100 3.627 7.003 -9.935 1.00 15.01 O ATOM 1491 CB LEU A 100 2.481 4.240 -8.397 1.00 14.21 C ATOM 1492 CG LEU A 100 2.529 3.614 -9.794 1.00 32.30 C ATOM 1493 CD1 LEU A 100 3.921 3.085 -10.098 1.00 14.12 C ATOM 1494 CD2 LEU A 100 1.499 2.501 -9.911 1.00 4.22 C ATOM 0 H LEU A 100 2.775 5.338 -6.188 1.00 34.11 H new ATOM 0 HA LEU A 100 4.440 5.093 -8.525 1.00 73.11 H new ATOM 0 HB2 LEU A 100 2.684 3.462 -7.661 1.00 14.21 H new ATOM 0 HB3 LEU A 100 1.468 4.598 -8.211 1.00 14.21 H new ATOM 0 HG LEU A 100 2.290 4.386 -10.525 1.00 32.30 H new ATOM 0 HD11 LEU A 100 3.933 2.645 -11.095 1.00 14.12 H new ATOM 0 HD12 LEU A 100 4.639 3.904 -10.054 1.00 14.12 H new ATOM 0 HD13 LEU A 100 4.191 2.327 -9.363 1.00 14.12 H new ATOM 0 HD21 LEU A 100 1.545 2.066 -10.909 1.00 4.22 H new ATOM 0 HD22 LEU A 100 1.710 1.731 -9.169 1.00 4.22 H new ATOM 0 HD23 LEU A 100 0.503 2.908 -9.738 1.00 4.22 H new ATOM 1506 N ALA A 101 1.928 7.239 -8.482 1.00 5.52 N ATOM 1507 CA ALA A 101 1.415 8.448 -9.109 1.00 43.50 C ATOM 1508 C ALA A 101 2.263 9.644 -8.708 1.00 32.05 C ATOM 1509 O ALA A 101 2.473 10.572 -9.494 1.00 22.21 O ATOM 1510 CB ALA A 101 -0.036 8.669 -8.720 1.00 64.41 C ATOM 0 H ALA A 101 1.392 6.922 -7.674 1.00 5.52 H new ATOM 0 HA ALA A 101 1.466 8.332 -10.192 1.00 43.50 H new ATOM 0 HB1 ALA A 101 -0.406 9.577 -9.196 1.00 64.41 H new ATOM 0 HB2 ALA A 101 -0.634 7.818 -9.047 1.00 64.41 H new ATOM 0 HB3 ALA A 101 -0.111 8.771 -7.637 1.00 64.41 H new ATOM 1516 N LEU A 102 2.760 9.609 -7.485 1.00 60.31 N ATOM 1517 CA LEU A 102 3.615 10.671 -6.986 1.00 43.01 C ATOM 1518 C LEU A 102 5.074 10.290 -7.161 1.00 11.12 C ATOM 1519 O LEU A 102 5.753 9.911 -6.202 1.00 64.12 O ATOM 1520 CB LEU A 102 3.333 10.986 -5.512 1.00 2.43 C ATOM 1521 CG LEU A 102 2.041 11.757 -5.222 1.00 14.24 C ATOM 1522 CD1 LEU A 102 0.812 10.890 -5.442 1.00 65.55 C ATOM 1523 CD2 LEU A 102 2.059 12.305 -3.804 1.00 53.44 C ATOM 0 H LEU A 102 2.586 8.857 -6.819 1.00 60.31 H new ATOM 0 HA LEU A 102 3.398 11.568 -7.566 1.00 43.01 H new ATOM 0 HB2 LEU A 102 3.303 10.046 -4.960 1.00 2.43 H new ATOM 0 HB3 LEU A 102 4.171 11.561 -5.118 1.00 2.43 H new ATOM 0 HG LEU A 102 1.987 12.591 -5.922 1.00 14.24 H new ATOM 0 HD11 LEU A 102 -0.086 11.470 -5.227 1.00 65.55 H new ATOM 0 HD12 LEU A 102 0.786 10.552 -6.478 1.00 65.55 H new ATOM 0 HD13 LEU A 102 0.853 10.026 -4.779 1.00 65.55 H new ATOM 0 HD21 LEU A 102 1.135 12.850 -3.613 1.00 53.44 H new ATOM 0 HD22 LEU A 102 2.147 11.481 -3.096 1.00 53.44 H new ATOM 0 HD23 LEU A 102 2.908 12.978 -3.685 1.00 53.44 H new ATOM 1535 N GLU A 103 5.536 10.360 -8.402 1.00 40.32 N ATOM 1536 CA GLU A 103 6.931 10.084 -8.725 1.00 60.34 C ATOM 1537 C GLU A 103 7.830 11.114 -8.054 1.00 20.43 C ATOM 1538 O GLU A 103 8.963 10.822 -7.673 1.00 31.22 O ATOM 1539 CB GLU A 103 7.140 10.094 -10.242 1.00 63.24 C ATOM 1540 CG GLU A 103 6.261 9.095 -10.977 1.00 75.54 C ATOM 1541 CD GLU A 103 6.541 9.051 -12.462 1.00 4.22 C ATOM 1542 OE1 GLU A 103 5.979 9.884 -13.202 1.00 22.44 O ATOM 1543 OE2 GLU A 103 7.322 8.179 -12.897 1.00 14.41 O ATOM 0 H GLU A 103 4.961 10.607 -9.207 1.00 40.32 H new ATOM 0 HA GLU A 103 7.192 9.094 -8.352 1.00 60.34 H new ATOM 0 HB2 GLU A 103 6.937 11.095 -10.623 1.00 63.24 H new ATOM 0 HB3 GLU A 103 8.186 9.876 -10.459 1.00 63.24 H new ATOM 0 HG2 GLU A 103 6.414 8.102 -10.553 1.00 75.54 H new ATOM 0 HG3 GLU A 103 5.214 9.352 -10.817 1.00 75.54 H new ATOM 1550 N HIS A 104 7.306 12.322 -7.910 1.00 23.32 N ATOM 1551 CA HIS A 104 7.983 13.365 -7.161 1.00 23.13 C ATOM 1552 C HIS A 104 7.655 13.205 -5.680 1.00 62.23 C ATOM 1553 O HIS A 104 6.564 13.563 -5.235 1.00 75.23 O ATOM 1554 CB HIS A 104 7.559 14.752 -7.661 1.00 31.45 C ATOM 1555 CG HIS A 104 8.237 15.884 -6.952 1.00 4.03 C ATOM 1556 ND1 HIS A 104 7.553 16.832 -6.225 1.00 35.14 N ATOM 1557 CD2 HIS A 104 9.545 16.219 -6.867 1.00 23.44 C ATOM 1558 CE1 HIS A 104 8.412 17.700 -5.723 1.00 43.31 C ATOM 1559 NE2 HIS A 104 9.628 17.349 -6.099 1.00 3.22 N ATOM 0 H HIS A 104 6.409 12.603 -8.305 1.00 23.32 H new ATOM 0 HA HIS A 104 9.059 13.274 -7.306 1.00 23.13 H new ATOM 0 HB2 HIS A 104 7.772 14.824 -8.728 1.00 31.45 H new ATOM 0 HB3 HIS A 104 6.480 14.856 -7.544 1.00 31.45 H new ATOM 0 HD2 HIS A 104 10.371 15.692 -7.321 1.00 23.44 H new ATOM 0 HE1 HIS A 104 8.162 18.553 -5.109 1.00 43.31 H new ATOM 0 HE2 HIS A 104 10.489 17.840 -5.857 1.00 3.22 H new ATOM 1568 N HIS A 105 8.593 12.640 -4.933 1.00 64.34 N ATOM 1569 CA HIS A 105 8.383 12.365 -3.518 1.00 32.23 C ATOM 1570 C HIS A 105 8.281 13.649 -2.704 1.00 32.53 C ATOM 1571 O HIS A 105 8.928 14.650 -3.011 1.00 12.01 O ATOM 1572 CB HIS A 105 9.508 11.487 -2.963 1.00 5.31 C ATOM 1573 CG HIS A 105 9.314 10.019 -3.209 1.00 24.34 C ATOM 1574 ND1 HIS A 105 9.821 9.049 -2.374 1.00 52.11 N ATOM 1575 CD2 HIS A 105 8.659 9.355 -4.194 1.00 51.30 C ATOM 1576 CE1 HIS A 105 9.489 7.856 -2.830 1.00 33.23 C ATOM 1577 NE2 HIS A 105 8.783 8.012 -3.932 1.00 21.23 N ATOM 0 H HIS A 105 9.509 12.362 -5.284 1.00 64.34 H new ATOM 0 HA HIS A 105 7.437 11.831 -3.431 1.00 32.23 H new ATOM 0 HB2 HIS A 105 10.452 11.798 -3.410 1.00 5.31 H new ATOM 0 HB3 HIS A 105 9.592 11.657 -1.890 1.00 5.31 H new ATOM 0 HD1 HIS A 105 10.369 9.225 -1.532 1.00 52.11 H new ATOM 0 HD2 HIS A 105 8.137 9.799 -5.029 1.00 51.30 H new ATOM 0 HE1 HIS A 105 9.751 6.911 -2.377 1.00 33.23 H new ATOM 1586 N HIS A 106 7.443 13.611 -1.678 1.00 73.30 N ATOM 1587 CA HIS A 106 7.291 14.731 -0.758 1.00 13.14 C ATOM 1588 C HIS A 106 8.039 14.431 0.533 1.00 10.04 C ATOM 1589 O HIS A 106 8.079 13.284 0.979 1.00 2.51 O ATOM 1590 CB HIS A 106 5.811 14.991 -0.451 1.00 34.13 C ATOM 1591 CG HIS A 106 5.047 15.640 -1.566 1.00 3.34 C ATOM 1592 ND1 HIS A 106 3.853 16.296 -1.367 1.00 23.34 N ATOM 1593 CD2 HIS A 106 5.305 15.730 -2.894 1.00 71.22 C ATOM 1594 CE1 HIS A 106 3.409 16.760 -2.519 1.00 70.11 C ATOM 1595 NE2 HIS A 106 4.271 16.432 -3.461 1.00 2.40 N ATOM 0 H HIS A 106 6.852 12.809 -1.460 1.00 73.30 H new ATOM 0 HA HIS A 106 7.705 15.624 -1.226 1.00 13.14 H new ATOM 0 HB2 HIS A 106 5.333 14.043 -0.204 1.00 34.13 H new ATOM 0 HB3 HIS A 106 5.743 15.623 0.435 1.00 34.13 H new ATOM 0 HD1 HIS A 106 3.384 16.406 -0.468 1.00 23.34 H new ATOM 0 HD2 HIS A 106 6.163 15.325 -3.409 1.00 71.22 H new ATOM 0 HE1 HIS A 106 2.494 17.315 -2.666 1.00 70.11 H new ATOM 1604 N HIS A 107 8.652 15.450 1.113 1.00 74.34 N ATOM 1605 CA HIS A 107 9.385 15.293 2.363 1.00 32.43 C ATOM 1606 C HIS A 107 8.807 16.193 3.448 1.00 62.33 C ATOM 1607 O HIS A 107 9.542 16.780 4.245 1.00 13.05 O ATOM 1608 CB HIS A 107 10.871 15.596 2.151 1.00 12.22 C ATOM 1609 CG HIS A 107 11.649 14.428 1.635 1.00 43.22 C ATOM 1610 ND1 HIS A 107 12.608 13.786 2.383 1.00 24.43 N ATOM 1611 CD2 HIS A 107 11.600 13.776 0.450 1.00 1.22 C ATOM 1612 CE1 HIS A 107 13.114 12.790 1.686 1.00 11.34 C ATOM 1613 NE2 HIS A 107 12.524 12.761 0.509 1.00 3.02 N ATOM 0 H HIS A 107 8.658 16.399 0.738 1.00 74.34 H new ATOM 0 HA HIS A 107 9.283 14.258 2.691 1.00 32.43 H new ATOM 0 HB2 HIS A 107 10.968 16.426 1.451 1.00 12.22 H new ATOM 0 HB3 HIS A 107 11.305 15.923 3.096 1.00 12.22 H new ATOM 0 HD2 HIS A 107 10.956 14.010 -0.385 1.00 1.22 H new ATOM 0 HE1 HIS A 107 13.883 12.111 2.023 1.00 11.34 H new ATOM 0 HE2 HIS A 107 12.721 12.094 -0.237 1.00 3.02 H new ATOM 1622 N HIS A 108 7.484 16.272 3.489 1.00 35.14 N ATOM 1623 CA HIS A 108 6.789 17.113 4.453 1.00 54.42 C ATOM 1624 C HIS A 108 5.316 16.721 4.518 1.00 51.21 C ATOM 1625 O HIS A 108 4.882 16.067 5.469 1.00 74.14 O ATOM 1626 CB HIS A 108 6.940 18.588 4.067 1.00 31.32 C ATOM 1627 CG HIS A 108 6.405 19.541 5.086 1.00 72.50 C ATOM 1628 ND1 HIS A 108 5.299 20.335 4.872 1.00 21.34 N ATOM 1629 CD2 HIS A 108 6.843 19.837 6.329 1.00 3.11 C ATOM 1630 CE1 HIS A 108 5.084 21.077 5.938 1.00 21.45 C ATOM 1631 NE2 HIS A 108 6.003 20.794 6.838 1.00 42.43 N ATOM 0 H HIS A 108 6.866 15.759 2.860 1.00 35.14 H new ATOM 0 HA HIS A 108 7.230 16.968 5.439 1.00 54.42 H new ATOM 0 HB2 HIS A 108 7.996 18.803 3.902 1.00 31.32 H new ATOM 0 HB3 HIS A 108 6.428 18.759 3.120 1.00 31.32 H new ATOM 0 HD2 HIS A 108 7.696 19.401 6.829 1.00 3.11 H new ATOM 0 HE1 HIS A 108 4.288 21.797 6.055 1.00 21.45 H new ATOM 0 HE2 HIS A 108 6.078 21.218 7.763 1.00 42.43 H new ATOM 1640 N HIS A 109 4.568 17.112 3.492 1.00 41.14 N ATOM 1641 CA HIS A 109 3.155 16.772 3.368 1.00 41.04 C ATOM 1642 C HIS A 109 2.610 17.380 2.081 1.00 31.53 C ATOM 1643 O HIS A 109 1.877 18.389 2.156 1.00 37.96 O ATOM 1644 CB HIS A 109 2.351 17.275 4.574 1.00 71.53 C ATOM 1645 CG HIS A 109 0.940 16.759 4.624 1.00 34.42 C ATOM 1646 ND1 HIS A 109 -0.169 17.558 4.434 1.00 24.34 N ATOM 1647 CD2 HIS A 109 0.464 15.515 4.863 1.00 50.11 C ATOM 1648 CE1 HIS A 109 -1.262 16.827 4.559 1.00 35.53 C ATOM 1649 NE2 HIS A 109 -0.908 15.584 4.819 1.00 1.32 N ATOM 1650 OXT HIS A 109 2.962 16.876 0.996 1.00 37.96 O ATOM 0 H HIS A 109 4.926 17.675 2.721 1.00 41.14 H new ATOM 0 HA HIS A 109 3.057 15.687 3.338 1.00 41.04 H new ATOM 0 HB2 HIS A 109 2.867 16.983 5.489 1.00 71.53 H new ATOM 0 HB3 HIS A 109 2.328 18.365 4.554 1.00 71.53 H new ATOM 0 HD2 HIS A 109 1.054 14.631 5.053 1.00 50.11 H new ATOM 0 HE1 HIS A 109 -2.276 17.187 4.464 1.00 35.53 H new ATOM 0 HE2 HIS A 109 -1.547 14.802 4.964 1.00 1.32 H new TER 1659 HIS A 109