USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 684 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 66 MET CE :methyl 172:sc= -0.676 (180deg=-0.76) USER MOD Set 1.2: A 70 SER OG : rot 170:sc= 0 USER MOD Set 2.1: A 19 MET CE :methyl -136:sc= -1.68 (180deg=-4.4!) USER MOD Set 2.2: A 26 LYS NZ :NH3+ 165:sc= -0.138 (180deg=-0.116) USER MOD Single : A 1 MET CE :methyl -106:sc= 0 (180deg=-0.181) USER MOD Single : A 1 MET N :NH3+ 159:sc= -0.145 (180deg=-0.49) USER MOD Single : A 2 SER OG : rot 180:sc= 0.08 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.427 X(o=-0.43,f=-0.51) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -29:sc= 0.242 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= -0.17 USER MOD Single : A 23 ASN : amide:sc= -0.0247 K(o=-0.025,f=-1.2) USER MOD Single : A 28 CYS SG : rot 54:sc= -0.078 USER MOD Single : A 30 TYR OH : rot -17:sc= 1.2 USER MOD Single : A 31 LYS NZ :NH3+ -130:sc= -0.428 (180deg=-3.3!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -3.54 K(o=-3.5,f=-6.4!) USER MOD Single : A 37 THR OG1 : rot 101:sc= 1.09 USER MOD Single : A 41 CYS SG : rot 82:sc= 1.33 USER MOD Single : A 42 ASN : amide:sc= 0.623 K(o=0.62,f=-0.86) USER MOD Single : A 43 LYS NZ :NH3+ 135:sc= -0.0729 (180deg=-0.859) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.243 X(o=-0.24,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.028) USER MOD Single : A 54 LYS NZ :NH3+ 162:sc= -0.0549 (180deg=-0.358) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.0228 X(o=-0.023,f=-0.023) USER MOD Single : A 67 SER OG : rot 180:sc= 0.276 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -127:sc=-0.00865 (180deg=-2.22!) USER MOD Single : A 75 TYR OH : rot -130:sc= -0.279 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -33:sc= 0.331 USER MOD Single : A 88 ASN : amide:sc= 0.322 X(o=0.32,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.121 0.906 1.527 1.00 21.24 N ATOM 2 CA MET A 1 3.050 0.670 0.090 1.00 33.31 C ATOM 3 C MET A 1 4.229 -0.175 -0.381 1.00 72.43 C ATOM 4 O MET A 1 5.319 -0.108 0.186 1.00 42.41 O ATOM 5 CB MET A 1 3.026 1.999 -0.666 1.00 53.41 C ATOM 6 CG MET A 1 4.042 3.008 -0.155 1.00 33.13 C ATOM 7 SD MET A 1 3.930 4.596 -1.000 1.00 40.35 S ATOM 8 CE MET A 1 4.514 5.704 0.280 1.00 21.34 C ATOM 0 H1 MET A 1 2.550 1.741 1.770 1.00 21.24 H new ATOM 0 H2 MET A 1 2.754 0.075 2.034 1.00 21.24 H new ATOM 0 H3 MET A 1 4.110 1.071 1.803 1.00 21.24 H new ATOM 0 HA MET A 1 2.129 0.125 -0.118 1.00 33.31 H new ATOM 0 HB2 MET A 1 3.214 1.810 -1.723 1.00 53.41 H new ATOM 0 HB3 MET A 1 2.028 2.431 -0.592 1.00 53.41 H new ATOM 0 HG2 MET A 1 3.892 3.159 0.914 1.00 33.13 H new ATOM 0 HG3 MET A 1 5.046 2.603 -0.283 1.00 33.13 H new ATOM 0 HE1 MET A 1 3.672 6.258 0.693 1.00 21.34 H new ATOM 0 HE2 MET A 1 4.992 5.126 1.071 1.00 21.34 H new ATOM 0 HE3 MET A 1 5.235 6.403 -0.145 1.00 21.34 H new ATOM 18 N SER A 2 4.002 -0.971 -1.422 1.00 25.24 N ATOM 19 CA SER A 2 5.045 -1.833 -1.966 1.00 44.32 C ATOM 20 C SER A 2 6.208 -1.004 -2.505 1.00 73.32 C ATOM 21 O SER A 2 7.339 -1.482 -2.589 1.00 35.40 O ATOM 22 CB SER A 2 4.477 -2.718 -3.077 1.00 13.20 C ATOM 23 OG SER A 2 3.427 -2.061 -3.765 1.00 53.24 O ATOM 0 H SER A 2 3.106 -1.037 -1.905 1.00 25.24 H new ATOM 0 HA SER A 2 5.415 -2.467 -1.160 1.00 44.32 H new ATOM 0 HB2 SER A 2 5.269 -2.979 -3.779 1.00 13.20 H new ATOM 0 HB3 SER A 2 4.109 -3.651 -2.651 1.00 13.20 H new ATOM 0 HG SER A 2 3.082 -2.646 -4.471 1.00 53.24 H new ATOM 29 N ALA A 3 5.920 0.241 -2.870 1.00 33.14 N ATOM 30 CA ALA A 3 6.940 1.137 -3.399 1.00 10.33 C ATOM 31 C ALA A 3 7.873 1.620 -2.294 1.00 1.35 C ATOM 32 O ALA A 3 9.021 1.982 -2.551 1.00 63.14 O ATOM 33 CB ALA A 3 6.290 2.322 -4.099 1.00 23.24 C ATOM 0 H ALA A 3 4.988 0.652 -2.809 1.00 33.14 H new ATOM 0 HA ALA A 3 7.535 0.582 -4.124 1.00 10.33 H new ATOM 0 HB1 ALA A 3 7.064 2.983 -4.489 1.00 23.24 H new ATOM 0 HB2 ALA A 3 5.670 1.964 -4.921 1.00 23.24 H new ATOM 0 HB3 ALA A 3 5.670 2.869 -3.389 1.00 23.24 H new ATOM 39 N ASP A 4 7.373 1.624 -1.063 1.00 54.30 N ATOM 40 CA ASP A 4 8.162 2.063 0.082 1.00 30.21 C ATOM 41 C ASP A 4 8.839 0.877 0.762 1.00 72.32 C ATOM 42 O ASP A 4 9.871 1.029 1.415 1.00 64.14 O ATOM 43 CB ASP A 4 7.277 2.804 1.085 1.00 13.20 C ATOM 44 CG ASP A 4 8.072 3.398 2.231 1.00 20.22 C ATOM 45 OD1 ASP A 4 8.615 4.510 2.064 1.00 41.04 O ATOM 46 OD2 ASP A 4 8.151 2.751 3.296 1.00 74.50 O ATOM 0 H ASP A 4 6.424 1.328 -0.833 1.00 54.30 H new ATOM 0 HA ASP A 4 8.935 2.742 -0.280 1.00 30.21 H new ATOM 0 HB2 ASP A 4 6.737 3.599 0.571 1.00 13.20 H new ATOM 0 HB3 ASP A 4 6.530 2.117 1.483 1.00 13.20 H new ATOM 51 N ASP A 5 8.250 -0.304 0.605 1.00 53.42 N ATOM 52 CA ASP A 5 8.796 -1.516 1.203 1.00 35.23 C ATOM 53 C ASP A 5 9.922 -2.086 0.346 1.00 12.34 C ATOM 54 O ASP A 5 10.571 -3.062 0.724 1.00 54.41 O ATOM 55 CB ASP A 5 7.694 -2.563 1.381 1.00 5.25 C ATOM 56 CG ASP A 5 6.823 -2.286 2.591 1.00 52.15 C ATOM 57 OD1 ASP A 5 6.578 -1.097 2.886 1.00 31.32 O ATOM 58 OD2 ASP A 5 6.385 -3.258 3.241 1.00 53.24 O ATOM 0 H ASP A 5 7.394 -0.447 0.068 1.00 53.42 H new ATOM 0 HA ASP A 5 9.203 -1.258 2.180 1.00 35.23 H new ATOM 0 HB2 ASP A 5 7.072 -2.587 0.487 1.00 5.25 H new ATOM 0 HB3 ASP A 5 8.147 -3.550 1.481 1.00 5.25 H new ATOM 63 N PHE A 6 10.148 -1.470 -0.809 1.00 61.25 N ATOM 64 CA PHE A 6 11.195 -1.917 -1.721 1.00 53.14 C ATOM 65 C PHE A 6 12.530 -2.049 -0.994 1.00 73.23 C ATOM 66 O PHE A 6 13.365 -2.880 -1.353 1.00 54.22 O ATOM 67 CB PHE A 6 11.333 -0.940 -2.891 1.00 13.01 C ATOM 68 CG PHE A 6 12.078 0.316 -2.538 1.00 73.33 C ATOM 69 CD1 PHE A 6 11.609 1.159 -1.544 1.00 22.13 C ATOM 70 CD2 PHE A 6 13.246 0.653 -3.202 1.00 4.11 C ATOM 71 CE1 PHE A 6 12.293 2.315 -1.217 1.00 35.05 C ATOM 72 CE2 PHE A 6 13.934 1.807 -2.879 1.00 1.52 C ATOM 73 CZ PHE A 6 13.456 2.640 -1.886 1.00 0.12 C ATOM 0 H PHE A 6 9.621 -0.660 -1.136 1.00 61.25 H new ATOM 0 HA PHE A 6 10.913 -2.897 -2.106 1.00 53.14 H new ATOM 0 HB2 PHE A 6 11.847 -1.439 -3.712 1.00 13.01 H new ATOM 0 HB3 PHE A 6 10.339 -0.674 -3.251 1.00 13.01 H new ATOM 0 HD1 PHE A 6 10.699 0.910 -1.019 1.00 22.13 H new ATOM 0 HD2 PHE A 6 13.623 0.007 -3.981 1.00 4.11 H new ATOM 0 HE1 PHE A 6 11.918 2.963 -0.439 1.00 35.05 H new ATOM 0 HE2 PHE A 6 14.845 2.058 -3.403 1.00 1.52 H new ATOM 0 HZ PHE A 6 13.991 3.544 -1.634 1.00 0.12 H new ATOM 83 N ASP A 7 12.723 -1.224 0.029 1.00 64.33 N ATOM 84 CA ASP A 7 13.956 -1.248 0.808 1.00 61.35 C ATOM 85 C ASP A 7 14.207 -2.638 1.385 1.00 41.13 C ATOM 86 O ASP A 7 15.266 -3.228 1.170 1.00 14.24 O ATOM 87 CB ASP A 7 13.892 -0.218 1.936 1.00 52.21 C ATOM 88 CG ASP A 7 14.525 1.104 1.549 1.00 13.41 C ATOM 89 OD1 ASP A 7 15.639 1.087 0.984 1.00 33.24 O ATOM 90 OD2 ASP A 7 13.906 2.157 1.810 1.00 34.22 O ATOM 0 H ASP A 7 12.042 -0.531 0.338 1.00 64.33 H new ATOM 0 HA ASP A 7 14.782 -0.996 0.143 1.00 61.35 H new ATOM 0 HB2 ASP A 7 12.851 -0.052 2.214 1.00 52.21 H new ATOM 0 HB3 ASP A 7 14.397 -0.616 2.816 1.00 52.21 H new ATOM 95 N ALA A 8 13.227 -3.154 2.119 1.00 72.34 N ATOM 96 CA ALA A 8 13.341 -4.474 2.726 1.00 61.41 C ATOM 97 C ALA A 8 13.584 -5.546 1.668 1.00 11.14 C ATOM 98 O ALA A 8 14.093 -6.625 1.970 1.00 34.02 O ATOM 99 CB ALA A 8 12.089 -4.796 3.528 1.00 22.35 C ATOM 0 H ALA A 8 12.345 -2.678 2.308 1.00 72.34 H new ATOM 0 HA ALA A 8 14.198 -4.464 3.399 1.00 61.41 H new ATOM 0 HB1 ALA A 8 12.188 -5.785 3.976 1.00 22.35 H new ATOM 0 HB2 ALA A 8 11.960 -4.053 4.315 1.00 22.35 H new ATOM 0 HB3 ALA A 8 11.221 -4.781 2.869 1.00 22.35 H new ATOM 105 N ALA A 9 13.216 -5.241 0.428 1.00 20.03 N ATOM 106 CA ALA A 9 13.395 -6.178 -0.674 1.00 3.21 C ATOM 107 C ALA A 9 14.829 -6.147 -1.193 1.00 53.53 C ATOM 108 O ALA A 9 15.462 -7.189 -1.361 1.00 52.11 O ATOM 109 CB ALA A 9 12.418 -5.865 -1.797 1.00 51.41 C ATOM 0 H ALA A 9 12.792 -4.352 0.162 1.00 20.03 H new ATOM 0 HA ALA A 9 13.193 -7.182 -0.301 1.00 3.21 H new ATOM 0 HB1 ALA A 9 12.563 -6.573 -2.613 1.00 51.41 H new ATOM 0 HB2 ALA A 9 11.397 -5.946 -1.424 1.00 51.41 H new ATOM 0 HB3 ALA A 9 12.593 -4.852 -2.160 1.00 51.41 H new ATOM 115 N VAL A 10 15.335 -4.944 -1.447 1.00 61.03 N ATOM 116 CA VAL A 10 16.694 -4.777 -1.948 1.00 24.04 C ATOM 117 C VAL A 10 17.717 -5.292 -0.941 1.00 44.04 C ATOM 118 O VAL A 10 18.777 -5.794 -1.318 1.00 11.14 O ATOM 119 CB VAL A 10 16.999 -3.300 -2.263 1.00 30.51 C ATOM 120 CG1 VAL A 10 18.329 -3.173 -2.990 1.00 52.02 C ATOM 121 CG2 VAL A 10 15.873 -2.688 -3.082 1.00 10.20 C ATOM 0 H VAL A 10 14.824 -4.071 -1.314 1.00 61.03 H new ATOM 0 HA VAL A 10 16.767 -5.359 -2.867 1.00 24.04 H new ATOM 0 HB VAL A 10 17.073 -2.753 -1.323 1.00 30.51 H new ATOM 0 HG11 VAL A 10 18.528 -2.123 -3.204 1.00 52.02 H new ATOM 0 HG12 VAL A 10 19.126 -3.573 -2.363 1.00 52.02 H new ATOM 0 HG13 VAL A 10 18.288 -3.732 -3.925 1.00 52.02 H new ATOM 0 HG21 VAL A 10 16.104 -1.644 -3.296 1.00 10.20 H new ATOM 0 HG22 VAL A 10 15.765 -3.235 -4.019 1.00 10.20 H new ATOM 0 HG23 VAL A 10 14.941 -2.745 -2.519 1.00 10.20 H new ATOM 131 N LYS A 11 17.394 -5.165 0.341 1.00 54.20 N ATOM 132 CA LYS A 11 18.283 -5.619 1.404 1.00 53.43 C ATOM 133 C LYS A 11 18.281 -7.141 1.502 1.00 53.21 C ATOM 134 O LYS A 11 19.266 -7.747 1.925 1.00 52.53 O ATOM 135 CB LYS A 11 17.862 -5.010 2.743 1.00 1.04 C ATOM 136 CG LYS A 11 18.340 -3.581 2.939 1.00 35.41 C ATOM 137 CD LYS A 11 19.753 -3.537 3.495 1.00 32.15 C ATOM 138 CE LYS A 11 20.259 -2.108 3.618 1.00 31.14 C ATOM 139 NZ LYS A 11 21.675 -2.059 4.077 1.00 50.45 N ATOM 0 H LYS A 11 16.522 -4.751 0.670 1.00 54.20 H new ATOM 0 HA LYS A 11 19.294 -5.290 1.164 1.00 53.43 H new ATOM 0 HB2 LYS A 11 16.775 -5.034 2.818 1.00 1.04 H new ATOM 0 HB3 LYS A 11 18.251 -5.628 3.552 1.00 1.04 H new ATOM 0 HG2 LYS A 11 18.306 -3.051 1.987 1.00 35.41 H new ATOM 0 HG3 LYS A 11 17.665 -3.060 3.618 1.00 35.41 H new ATOM 0 HD2 LYS A 11 19.775 -4.018 4.473 1.00 32.15 H new ATOM 0 HD3 LYS A 11 20.419 -4.105 2.845 1.00 32.15 H new ATOM 0 HE2 LYS A 11 20.172 -1.608 2.654 1.00 31.14 H new ATOM 0 HE3 LYS A 11 19.631 -1.559 4.319 1.00 31.14 H new ATOM 0 HZ1 LYS A 11 21.983 -1.068 4.148 1.00 50.45 H new ATOM 0 HZ2 LYS A 11 21.754 -2.514 5.009 1.00 50.45 H new ATOM 0 HZ3 LYS A 11 22.279 -2.561 3.395 1.00 50.45 H new ATOM 153 N TYR A 12 17.170 -7.753 1.108 1.00 54.12 N ATOM 154 CA TYR A 12 17.040 -9.204 1.152 1.00 33.45 C ATOM 155 C TYR A 12 17.723 -9.850 -0.049 1.00 52.24 C ATOM 156 O TYR A 12 18.160 -10.999 0.013 1.00 75.21 O ATOM 157 CB TYR A 12 15.564 -9.604 1.190 1.00 72.41 C ATOM 158 CG TYR A 12 15.313 -10.933 1.867 1.00 65.12 C ATOM 159 CD1 TYR A 12 15.683 -12.126 1.258 1.00 2.01 C ATOM 160 CD2 TYR A 12 14.708 -10.995 3.116 1.00 71.21 C ATOM 161 CE1 TYR A 12 15.456 -13.342 1.873 1.00 74.03 C ATOM 162 CE2 TYR A 12 14.478 -12.207 3.739 1.00 52.33 C ATOM 163 CZ TYR A 12 14.853 -13.377 3.113 1.00 71.21 C ATOM 164 OH TYR A 12 14.626 -14.587 3.729 1.00 12.50 O ATOM 0 H TYR A 12 16.346 -7.266 0.754 1.00 54.12 H new ATOM 0 HA TYR A 12 17.529 -9.559 2.059 1.00 33.45 H new ATOM 0 HB2 TYR A 12 15.000 -8.829 1.709 1.00 72.41 H new ATOM 0 HB3 TYR A 12 15.182 -9.648 0.170 1.00 72.41 H new ATOM 0 HD1 TYR A 12 16.156 -12.102 0.287 1.00 2.01 H new ATOM 0 HD2 TYR A 12 14.412 -10.080 3.609 1.00 71.21 H new ATOM 0 HE1 TYR A 12 15.749 -14.260 1.386 1.00 74.03 H new ATOM 0 HE2 TYR A 12 14.007 -12.238 4.711 1.00 52.33 H new ATOM 0 HH TYR A 12 14.195 -14.437 4.596 1.00 12.50 H new ATOM 174 N VAL A 13 17.812 -9.101 -1.144 1.00 0.32 N ATOM 175 CA VAL A 13 18.443 -9.597 -2.361 1.00 22.23 C ATOM 176 C VAL A 13 19.915 -9.205 -2.416 1.00 25.05 C ATOM 177 O VAL A 13 20.741 -9.930 -2.971 1.00 3.35 O ATOM 178 CB VAL A 13 17.734 -9.063 -3.619 1.00 52.12 C ATOM 179 CG1 VAL A 13 18.550 -9.372 -4.865 1.00 25.14 C ATOM 180 CG2 VAL A 13 16.334 -9.649 -3.730 1.00 42.53 C ATOM 0 H VAL A 13 17.455 -8.148 -1.213 1.00 0.32 H new ATOM 0 HA VAL A 13 18.360 -10.684 -2.340 1.00 22.23 H new ATOM 0 HB VAL A 13 17.645 -7.980 -3.532 1.00 52.12 H new ATOM 0 HG11 VAL A 13 18.033 -8.987 -5.744 1.00 25.14 H new ATOM 0 HG12 VAL A 13 19.529 -8.900 -4.785 1.00 25.14 H new ATOM 0 HG13 VAL A 13 18.674 -10.451 -4.961 1.00 25.14 H new ATOM 0 HG21 VAL A 13 15.847 -9.261 -4.625 1.00 42.53 H new ATOM 0 HG22 VAL A 13 16.398 -10.735 -3.794 1.00 42.53 H new ATOM 0 HG23 VAL A 13 15.752 -9.371 -2.851 1.00 42.53 H new ATOM 190 N SER A 14 20.237 -8.053 -1.835 1.00 64.34 N ATOM 191 CA SER A 14 21.610 -7.562 -1.821 1.00 24.23 C ATOM 192 C SER A 14 22.448 -8.321 -0.796 1.00 13.14 C ATOM 193 O SER A 14 23.622 -8.607 -1.026 1.00 52.53 O ATOM 194 CB SER A 14 21.636 -6.065 -1.509 1.00 15.32 C ATOM 195 OG SER A 14 22.949 -5.544 -1.613 1.00 24.12 O ATOM 0 H SER A 14 19.566 -7.443 -1.368 1.00 64.34 H new ATOM 0 HA SER A 14 22.039 -7.727 -2.810 1.00 24.23 H new ATOM 0 HB2 SER A 14 20.976 -5.536 -2.197 1.00 15.32 H new ATOM 0 HB3 SER A 14 21.252 -5.893 -0.503 1.00 15.32 H new ATOM 0 HG SER A 14 22.938 -4.585 -1.410 1.00 24.12 H new ATOM 201 N ASN A 15 21.834 -8.644 0.338 1.00 32.10 N ATOM 202 CA ASN A 15 22.522 -9.369 1.400 1.00 32.20 C ATOM 203 C ASN A 15 22.379 -10.876 1.211 1.00 73.33 C ATOM 204 O ASN A 15 23.353 -11.622 1.317 1.00 73.44 O ATOM 205 CB ASN A 15 21.968 -8.961 2.767 1.00 40.45 C ATOM 206 CG ASN A 15 22.128 -7.477 3.035 1.00 52.30 C ATOM 207 OD1 ASN A 15 23.112 -6.862 2.623 1.00 72.43 O ATOM 208 ND2 ASN A 15 21.158 -6.893 3.730 1.00 71.44 N ATOM 0 H ASN A 15 20.862 -8.415 0.545 1.00 32.10 H new ATOM 0 HA ASN A 15 23.581 -9.113 1.353 1.00 32.20 H new ATOM 0 HB2 ASN A 15 20.912 -9.226 2.822 1.00 40.45 H new ATOM 0 HB3 ASN A 15 22.479 -9.526 3.547 1.00 40.45 H new ATOM 0 HD21 ASN A 15 21.211 -5.897 3.942 1.00 71.44 H new ATOM 0 HD22 ASN A 15 20.360 -7.441 4.052 1.00 71.44 H new ATOM 215 N THR A 16 21.157 -11.319 0.929 1.00 11.42 N ATOM 216 CA THR A 16 20.885 -12.736 0.726 1.00 42.15 C ATOM 217 C THR A 16 20.664 -13.047 -0.750 1.00 40.33 C ATOM 218 O THR A 16 19.715 -12.557 -1.364 1.00 2.21 O ATOM 219 CB THR A 16 19.650 -13.192 1.525 1.00 2.22 C ATOM 220 OG1 THR A 16 20.048 -13.647 2.823 1.00 32.32 O ATOM 221 CG2 THR A 16 18.913 -14.305 0.795 1.00 4.33 C ATOM 0 H THR A 16 20.340 -10.716 0.836 1.00 11.42 H new ATOM 0 HA THR A 16 21.760 -13.280 1.083 1.00 42.15 H new ATOM 0 HB THR A 16 18.977 -12.341 1.629 1.00 2.22 H new ATOM 0 HG1 THR A 16 19.257 -13.934 3.326 1.00 32.32 H new ATOM 0 HG21 THR A 16 18.045 -14.610 1.379 1.00 4.33 H new ATOM 0 HG22 THR A 16 18.586 -13.946 -0.181 1.00 4.33 H new ATOM 0 HG23 THR A 16 19.580 -15.157 0.663 1.00 4.33 H new ATOM 229 N THR A 17 21.545 -13.865 -1.317 1.00 25.13 N ATOM 230 CA THR A 17 21.447 -14.241 -2.721 1.00 74.23 C ATOM 231 C THR A 17 21.614 -15.746 -2.901 1.00 14.33 C ATOM 232 O THR A 17 21.661 -16.247 -4.025 1.00 11.52 O ATOM 233 CB THR A 17 22.504 -13.514 -3.573 1.00 55.44 C ATOM 234 OG1 THR A 17 23.616 -13.135 -2.755 1.00 41.44 O ATOM 235 CG2 THR A 17 21.909 -12.279 -4.234 1.00 45.21 C ATOM 0 H THR A 17 22.336 -14.280 -0.824 1.00 25.13 H new ATOM 0 HA THR A 17 20.453 -13.945 -3.058 1.00 74.23 H new ATOM 0 HB THR A 17 22.843 -14.196 -4.352 1.00 55.44 H new ATOM 0 HG1 THR A 17 24.284 -12.675 -3.304 1.00 41.44 H new ATOM 0 HG21 THR A 17 22.674 -11.782 -4.831 1.00 45.21 H new ATOM 0 HG22 THR A 17 21.081 -12.574 -4.879 1.00 45.21 H new ATOM 0 HG23 THR A 17 21.545 -11.595 -3.467 1.00 45.21 H new ATOM 243 N THR A 18 21.702 -16.464 -1.785 1.00 41.04 N ATOM 244 CA THR A 18 21.864 -17.912 -1.820 1.00 3.13 C ATOM 245 C THR A 18 20.530 -18.609 -2.062 1.00 25.03 C ATOM 246 O THR A 18 20.486 -19.812 -2.317 1.00 34.14 O ATOM 247 CB THR A 18 22.476 -18.440 -0.508 1.00 41.13 C ATOM 248 OG1 THR A 18 22.820 -19.823 -0.650 1.00 41.40 O ATOM 249 CG2 THR A 18 21.504 -18.270 0.649 1.00 33.12 C ATOM 0 H THR A 18 21.664 -16.066 -0.847 1.00 41.04 H new ATOM 0 HA THR A 18 22.542 -18.135 -2.644 1.00 3.13 H new ATOM 0 HB THR A 18 23.375 -17.863 -0.294 1.00 41.13 H new ATOM 0 HG1 THR A 18 22.218 -20.245 -1.299 1.00 41.40 H new ATOM 0 HG21 THR A 18 21.958 -18.650 1.564 1.00 33.12 H new ATOM 0 HG22 THR A 18 21.267 -17.213 0.773 1.00 33.12 H new ATOM 0 HG23 THR A 18 20.589 -18.825 0.440 1.00 33.12 H new ATOM 257 N MET A 19 19.446 -17.845 -1.981 1.00 32.41 N ATOM 258 CA MET A 19 18.110 -18.391 -2.194 1.00 1.15 C ATOM 259 C MET A 19 18.012 -19.074 -3.554 1.00 21.22 C ATOM 260 O MET A 19 18.819 -18.818 -4.447 1.00 22.03 O ATOM 261 CB MET A 19 17.061 -17.282 -2.090 1.00 32.42 C ATOM 262 CG MET A 19 17.152 -16.253 -3.204 1.00 41.15 C ATOM 263 SD MET A 19 17.619 -14.618 -2.604 1.00 22.32 S ATOM 264 CE MET A 19 17.490 -13.655 -4.108 1.00 71.03 C ATOM 0 H MET A 19 19.466 -16.847 -1.770 1.00 32.41 H new ATOM 0 HA MET A 19 17.921 -19.135 -1.420 1.00 1.15 H new ATOM 0 HB2 MET A 19 16.068 -17.731 -2.101 1.00 32.42 H new ATOM 0 HB3 MET A 19 17.172 -16.777 -1.130 1.00 32.42 H new ATOM 0 HG2 MET A 19 17.881 -16.586 -3.942 1.00 41.15 H new ATOM 0 HG3 MET A 19 16.190 -16.188 -3.713 1.00 41.15 H new ATOM 0 HE1 MET A 19 18.353 -12.994 -4.192 1.00 71.03 H new ATOM 0 HE2 MET A 19 17.461 -14.325 -4.967 1.00 71.03 H new ATOM 0 HE3 MET A 19 16.578 -13.059 -4.081 1.00 71.03 H new ATOM 274 N MET A 20 17.019 -19.944 -3.704 1.00 32.33 N ATOM 275 CA MET A 20 16.816 -20.663 -4.956 1.00 72.40 C ATOM 276 C MET A 20 16.353 -19.716 -6.058 1.00 41.22 C ATOM 277 O MET A 20 15.173 -19.380 -6.145 1.00 54.34 O ATOM 278 CB MET A 20 15.790 -21.783 -4.766 1.00 2.41 C ATOM 279 CG MET A 20 16.303 -22.940 -3.924 1.00 52.02 C ATOM 280 SD MET A 20 14.987 -24.059 -3.407 1.00 12.45 S ATOM 281 CE MET A 20 15.738 -24.824 -1.972 1.00 32.01 C ATOM 0 H MET A 20 16.342 -20.168 -2.974 1.00 32.33 H new ATOM 0 HA MET A 20 17.769 -21.100 -5.253 1.00 72.40 H new ATOM 0 HB2 MET A 20 14.897 -21.371 -4.297 1.00 2.41 H new ATOM 0 HB3 MET A 20 15.491 -22.160 -5.744 1.00 2.41 H new ATOM 0 HG2 MET A 20 17.046 -23.498 -4.494 1.00 52.02 H new ATOM 0 HG3 MET A 20 16.808 -22.547 -3.042 1.00 52.02 H new ATOM 0 HE1 MET A 20 15.044 -25.544 -1.539 1.00 32.01 H new ATOM 0 HE2 MET A 20 16.653 -25.336 -2.270 1.00 32.01 H new ATOM 0 HE3 MET A 20 15.974 -24.058 -1.233 1.00 32.01 H new ATOM 291 N ALA A 21 17.291 -19.288 -6.897 1.00 70.43 N ATOM 292 CA ALA A 21 16.978 -18.381 -7.994 1.00 64.04 C ATOM 293 C ALA A 21 17.523 -18.910 -9.317 1.00 20.43 C ATOM 294 O ALA A 21 18.458 -19.711 -9.338 1.00 35.30 O ATOM 295 CB ALA A 21 17.537 -16.995 -7.708 1.00 40.04 C ATOM 0 H ALA A 21 18.274 -19.555 -6.838 1.00 70.43 H new ATOM 0 HA ALA A 21 15.893 -18.314 -8.079 1.00 64.04 H new ATOM 0 HB1 ALA A 21 17.296 -16.328 -8.535 1.00 40.04 H new ATOM 0 HB2 ALA A 21 17.097 -16.608 -6.789 1.00 40.04 H new ATOM 0 HB3 ALA A 21 18.619 -17.056 -7.594 1.00 40.04 H new ATOM 301 N SER A 22 16.932 -18.458 -10.418 1.00 61.42 N ATOM 302 CA SER A 22 17.355 -18.890 -11.745 1.00 64.40 C ATOM 303 C SER A 22 18.216 -17.823 -12.415 1.00 31.51 C ATOM 304 O SER A 22 18.253 -16.675 -11.976 1.00 2.12 O ATOM 305 CB SER A 22 16.137 -19.200 -12.617 1.00 32.24 C ATOM 306 OG SER A 22 16.530 -19.647 -13.903 1.00 10.13 O ATOM 0 H SER A 22 16.159 -17.793 -10.418 1.00 61.42 H new ATOM 0 HA SER A 22 17.951 -19.795 -11.632 1.00 64.40 H new ATOM 0 HB2 SER A 22 15.525 -19.963 -12.135 1.00 32.24 H new ATOM 0 HB3 SER A 22 15.518 -18.308 -12.712 1.00 32.24 H new ATOM 0 HG SER A 22 15.733 -19.840 -14.440 1.00 10.13 H new ATOM 312 N ASN A 23 18.907 -18.213 -13.482 1.00 34.15 N ATOM 313 CA ASN A 23 19.768 -17.291 -14.213 1.00 30.10 C ATOM 314 C ASN A 23 18.955 -16.151 -14.818 1.00 13.31 C ATOM 315 O ASN A 23 19.485 -15.075 -15.095 1.00 5.00 O ATOM 316 CB ASN A 23 20.525 -18.034 -15.316 1.00 12.40 C ATOM 317 CG ASN A 23 21.755 -17.279 -15.782 1.00 52.11 C ATOM 318 OD1 ASN A 23 22.014 -16.159 -15.340 1.00 63.53 O ATOM 319 ND2 ASN A 23 22.519 -17.890 -16.680 1.00 20.22 N ATOM 0 H ASN A 23 18.887 -19.161 -13.859 1.00 34.15 H new ATOM 0 HA ASN A 23 20.486 -16.868 -13.510 1.00 30.10 H new ATOM 0 HB2 ASN A 23 20.822 -19.017 -14.950 1.00 12.40 H new ATOM 0 HB3 ASN A 23 19.859 -18.197 -16.164 1.00 12.40 H new ATOM 0 HD21 ASN A 23 23.359 -17.431 -17.032 1.00 20.22 H new ATOM 0 HD22 ASN A 23 22.266 -18.818 -17.018 1.00 20.22 H new ATOM 326 N ASP A 24 17.664 -16.394 -15.019 1.00 44.23 N ATOM 327 CA ASP A 24 16.777 -15.387 -15.590 1.00 34.23 C ATOM 328 C ASP A 24 16.190 -14.498 -14.497 1.00 60.44 C ATOM 329 O ASP A 24 16.168 -13.274 -14.625 1.00 30.02 O ATOM 330 CB ASP A 24 15.651 -16.058 -16.378 1.00 54.55 C ATOM 331 CG ASP A 24 15.230 -15.247 -17.589 1.00 30.51 C ATOM 332 OD1 ASP A 24 14.659 -14.153 -17.401 1.00 22.13 O ATOM 333 OD2 ASP A 24 15.471 -15.708 -18.725 1.00 33.44 O ATOM 0 H ASP A 24 17.209 -17.279 -14.795 1.00 44.23 H new ATOM 0 HA ASP A 24 17.362 -14.763 -16.266 1.00 34.23 H new ATOM 0 HB2 ASP A 24 15.977 -17.047 -16.701 1.00 54.55 H new ATOM 0 HB3 ASP A 24 14.791 -16.204 -15.725 1.00 54.55 H new ATOM 338 N ASP A 25 15.715 -15.123 -13.425 1.00 50.24 N ATOM 339 CA ASP A 25 15.128 -14.389 -12.311 1.00 12.35 C ATOM 340 C ASP A 25 16.138 -13.418 -11.707 1.00 0.10 C ATOM 341 O ASP A 25 15.784 -12.314 -11.293 1.00 13.13 O ATOM 342 CB ASP A 25 14.631 -15.359 -11.238 1.00 61.41 C ATOM 343 CG ASP A 25 13.284 -14.956 -10.671 1.00 5.33 C ATOM 344 OD1 ASP A 25 13.224 -13.931 -9.960 1.00 32.13 O ATOM 345 OD2 ASP A 25 12.291 -15.665 -10.937 1.00 3.11 O ATOM 0 H ASP A 25 15.725 -16.136 -13.304 1.00 50.24 H new ATOM 0 HA ASP A 25 14.283 -13.816 -12.692 1.00 12.35 H new ATOM 0 HB2 ASP A 25 14.558 -16.360 -11.663 1.00 61.41 H new ATOM 0 HB3 ASP A 25 15.362 -15.408 -10.431 1.00 61.41 H new ATOM 350 N LYS A 26 17.398 -13.837 -11.659 1.00 50.02 N ATOM 351 CA LYS A 26 18.461 -13.006 -11.107 1.00 11.23 C ATOM 352 C LYS A 26 18.685 -11.766 -11.967 1.00 12.04 C ATOM 353 O LYS A 26 19.345 -10.816 -11.544 1.00 13.41 O ATOM 354 CB LYS A 26 19.760 -13.807 -11.001 1.00 23.34 C ATOM 355 CG LYS A 26 19.662 -15.005 -10.072 1.00 71.20 C ATOM 356 CD LYS A 26 20.520 -14.821 -8.831 1.00 53.04 C ATOM 357 CE LYS A 26 20.008 -13.681 -7.964 1.00 43.45 C ATOM 358 NZ LYS A 26 19.448 -14.172 -6.675 1.00 64.11 N ATOM 0 H LYS A 26 17.708 -14.748 -11.996 1.00 50.02 H new ATOM 0 HA LYS A 26 18.157 -12.686 -10.111 1.00 11.23 H new ATOM 0 HB2 LYS A 26 20.047 -14.151 -11.995 1.00 23.34 H new ATOM 0 HB3 LYS A 26 20.555 -13.149 -10.649 1.00 23.34 H new ATOM 0 HG2 LYS A 26 18.623 -15.154 -9.778 1.00 71.20 H new ATOM 0 HG3 LYS A 26 19.976 -15.904 -10.602 1.00 71.20 H new ATOM 0 HD2 LYS A 26 20.528 -15.745 -8.252 1.00 53.04 H new ATOM 0 HD3 LYS A 26 21.550 -14.621 -9.126 1.00 53.04 H new ATOM 0 HE2 LYS A 26 20.821 -12.983 -7.764 1.00 43.45 H new ATOM 0 HE3 LYS A 26 19.240 -13.129 -8.506 1.00 43.45 H new ATOM 0 HZ1 LYS A 26 19.346 -13.375 -6.015 1.00 64.11 H new ATOM 0 HZ2 LYS A 26 18.517 -14.604 -6.843 1.00 64.11 H new ATOM 0 HZ3 LYS A 26 20.089 -14.881 -6.265 1.00 64.11 H new ATOM 372 N LEU A 27 18.131 -11.781 -13.174 1.00 33.12 N ATOM 373 CA LEU A 27 18.269 -10.657 -14.093 1.00 55.21 C ATOM 374 C LEU A 27 17.105 -9.683 -13.940 1.00 52.43 C ATOM 375 O LEU A 27 17.122 -8.587 -14.502 1.00 52.22 O ATOM 376 CB LEU A 27 18.342 -11.159 -15.536 1.00 44.42 C ATOM 377 CG LEU A 27 18.786 -10.134 -16.581 1.00 61.22 C ATOM 378 CD1 LEU A 27 20.133 -10.522 -17.171 1.00 22.43 C ATOM 379 CD2 LEU A 27 17.740 -10.004 -17.678 1.00 55.31 C ATOM 0 H LEU A 27 17.582 -12.559 -13.539 1.00 33.12 H new ATOM 0 HA LEU A 27 19.193 -10.132 -13.850 1.00 55.21 H new ATOM 0 HB2 LEU A 27 19.029 -12.005 -15.571 1.00 44.42 H new ATOM 0 HB3 LEU A 27 17.359 -11.535 -15.819 1.00 44.42 H new ATOM 0 HG LEU A 27 18.892 -9.166 -16.090 1.00 61.22 H new ATOM 0 HD11 LEU A 27 20.432 -9.781 -17.912 1.00 22.43 H new ATOM 0 HD12 LEU A 27 20.879 -10.564 -16.378 1.00 22.43 H new ATOM 0 HD13 LEU A 27 20.054 -11.500 -17.646 1.00 22.43 H new ATOM 0 HD21 LEU A 27 18.072 -9.271 -18.413 1.00 55.31 H new ATOM 0 HD22 LEU A 27 17.602 -10.969 -18.165 1.00 55.31 H new ATOM 0 HD23 LEU A 27 16.795 -9.679 -17.243 1.00 55.31 H new ATOM 391 N CYS A 28 16.097 -10.088 -13.176 1.00 22.33 N ATOM 392 CA CYS A 28 14.925 -9.250 -12.947 1.00 62.55 C ATOM 393 C CYS A 28 15.226 -8.162 -11.922 1.00 21.30 C ATOM 394 O CYS A 28 14.930 -6.988 -12.143 1.00 3.34 O ATOM 395 CB CYS A 28 13.747 -10.103 -12.474 1.00 24.24 C ATOM 396 SG CYS A 28 13.197 -11.336 -13.676 1.00 65.15 S ATOM 0 H CYS A 28 16.067 -10.992 -12.704 1.00 22.33 H new ATOM 0 HA CYS A 28 14.661 -8.771 -13.890 1.00 62.55 H new ATOM 0 HB2 CYS A 28 14.028 -10.611 -11.551 1.00 24.24 H new ATOM 0 HB3 CYS A 28 12.910 -9.447 -12.235 1.00 24.24 H new ATOM 0 HG CYS A 28 14.207 -12.070 -14.038 1.00 65.15 H new ATOM 402 N PHE A 29 15.814 -8.561 -10.799 1.00 64.21 N ATOM 403 CA PHE A 29 16.153 -7.620 -9.738 1.00 21.44 C ATOM 404 C PHE A 29 17.263 -6.673 -10.184 1.00 22.41 C ATOM 405 O PHE A 29 17.522 -5.656 -9.540 1.00 63.24 O ATOM 406 CB PHE A 29 16.586 -8.374 -8.478 1.00 53.02 C ATOM 407 CG PHE A 29 18.066 -8.615 -8.403 1.00 3.34 C ATOM 408 CD1 PHE A 29 18.902 -7.690 -7.797 1.00 12.10 C ATOM 409 CD2 PHE A 29 18.623 -9.766 -8.936 1.00 53.25 C ATOM 410 CE1 PHE A 29 20.265 -7.909 -7.727 1.00 13.32 C ATOM 411 CE2 PHE A 29 19.985 -9.990 -8.869 1.00 31.30 C ATOM 412 CZ PHE A 29 20.807 -9.061 -8.262 1.00 53.23 C ATOM 0 H PHE A 29 16.066 -9.529 -10.600 1.00 64.21 H new ATOM 0 HA PHE A 29 15.265 -7.029 -9.513 1.00 21.44 H new ATOM 0 HB2 PHE A 29 16.273 -7.809 -7.600 1.00 53.02 H new ATOM 0 HB3 PHE A 29 16.068 -9.332 -8.441 1.00 53.02 H new ATOM 0 HD1 PHE A 29 18.484 -6.788 -7.375 1.00 12.10 H new ATOM 0 HD2 PHE A 29 17.985 -10.497 -9.410 1.00 53.25 H new ATOM 0 HE1 PHE A 29 20.906 -7.180 -7.254 1.00 13.32 H new ATOM 0 HE2 PHE A 29 20.406 -10.891 -9.291 1.00 31.30 H new ATOM 0 HZ PHE A 29 21.871 -9.235 -8.206 1.00 53.23 H new ATOM 422 N TYR A 30 17.916 -7.016 -11.289 1.00 53.20 N ATOM 423 CA TYR A 30 19.000 -6.199 -11.821 1.00 1.24 C ATOM 424 C TYR A 30 18.453 -5.028 -12.631 1.00 50.30 C ATOM 425 O TYR A 30 18.994 -3.923 -12.591 1.00 43.45 O ATOM 426 CB TYR A 30 19.927 -7.048 -12.692 1.00 75.13 C ATOM 427 CG TYR A 30 20.359 -6.359 -13.967 1.00 12.02 C ATOM 428 CD1 TYR A 30 19.591 -6.444 -15.121 1.00 74.53 C ATOM 429 CD2 TYR A 30 21.535 -5.621 -14.016 1.00 63.30 C ATOM 430 CE1 TYR A 30 19.982 -5.817 -16.288 1.00 23.00 C ATOM 431 CE2 TYR A 30 21.934 -4.989 -15.178 1.00 21.20 C ATOM 432 CZ TYR A 30 21.155 -5.091 -16.311 1.00 55.53 C ATOM 433 OH TYR A 30 21.547 -4.463 -17.471 1.00 44.22 O ATOM 0 H TYR A 30 17.713 -7.854 -11.834 1.00 53.20 H new ATOM 0 HA TYR A 30 19.567 -5.801 -10.980 1.00 1.24 H new ATOM 0 HB2 TYR A 30 20.812 -7.313 -12.114 1.00 75.13 H new ATOM 0 HB3 TYR A 30 19.421 -7.980 -12.946 1.00 75.13 H new ATOM 0 HD1 TYR A 30 18.672 -7.010 -15.106 1.00 74.53 H new ATOM 0 HD2 TYR A 30 22.148 -5.540 -13.130 1.00 63.30 H new ATOM 0 HE1 TYR A 30 19.373 -5.895 -17.177 1.00 23.00 H new ATOM 0 HE2 TYR A 30 22.851 -4.418 -15.199 1.00 21.20 H new ATOM 0 HH TYR A 30 21.055 -4.841 -18.230 1.00 44.22 H new ATOM 443 N LYS A 31 17.375 -5.278 -13.366 1.00 13.10 N ATOM 444 CA LYS A 31 16.750 -4.246 -14.186 1.00 24.15 C ATOM 445 C LYS A 31 15.854 -3.348 -13.339 1.00 40.44 C ATOM 446 O LYS A 31 15.577 -2.206 -13.709 1.00 22.14 O ATOM 447 CB LYS A 31 15.934 -4.885 -15.311 1.00 53.32 C ATOM 448 CG LYS A 31 14.923 -5.908 -14.824 1.00 70.50 C ATOM 449 CD LYS A 31 14.081 -6.449 -15.968 1.00 23.13 C ATOM 450 CE LYS A 31 12.745 -6.981 -15.473 1.00 54.43 C ATOM 451 NZ LYS A 31 11.850 -7.365 -16.600 1.00 32.43 N ATOM 0 H LYS A 31 16.915 -6.187 -13.411 1.00 13.10 H new ATOM 0 HA LYS A 31 17.540 -3.634 -14.622 1.00 24.15 H new ATOM 0 HB2 LYS A 31 15.410 -4.101 -15.859 1.00 53.32 H new ATOM 0 HB3 LYS A 31 16.614 -5.365 -16.014 1.00 53.32 H new ATOM 0 HG2 LYS A 31 15.444 -6.731 -14.334 1.00 70.50 H new ATOM 0 HG3 LYS A 31 14.273 -5.452 -14.077 1.00 70.50 H new ATOM 0 HD2 LYS A 31 13.911 -5.660 -16.701 1.00 23.13 H new ATOM 0 HD3 LYS A 31 14.625 -7.245 -16.477 1.00 23.13 H new ATOM 0 HE2 LYS A 31 12.913 -7.846 -14.832 1.00 54.43 H new ATOM 0 HE3 LYS A 31 12.255 -6.222 -14.862 1.00 54.43 H new ATOM 0 HZ1 LYS A 31 10.915 -6.931 -16.464 1.00 32.43 H new ATOM 0 HZ2 LYS A 31 12.259 -7.033 -17.497 1.00 32.43 H new ATOM 0 HZ3 LYS A 31 11.751 -8.400 -16.627 1.00 32.43 H new ATOM 465 N TYR A 32 15.405 -3.869 -12.203 1.00 72.24 N ATOM 466 CA TYR A 32 14.539 -3.114 -11.306 1.00 30.15 C ATOM 467 C TYR A 32 15.325 -2.031 -10.573 1.00 43.15 C ATOM 468 O TYR A 32 14.849 -0.908 -10.405 1.00 35.31 O ATOM 469 CB TYR A 32 13.877 -4.051 -10.294 1.00 30.12 C ATOM 470 CG TYR A 32 12.905 -5.027 -10.918 1.00 1.20 C ATOM 471 CD1 TYR A 32 12.144 -4.668 -12.023 1.00 55.34 C ATOM 472 CD2 TYR A 32 12.747 -6.307 -10.402 1.00 64.10 C ATOM 473 CE1 TYR A 32 11.254 -5.555 -12.597 1.00 33.43 C ATOM 474 CE2 TYR A 32 11.861 -7.202 -10.970 1.00 2.23 C ATOM 475 CZ TYR A 32 11.116 -6.821 -12.067 1.00 25.34 C ATOM 476 OH TYR A 32 10.232 -7.709 -12.634 1.00 75.31 O ATOM 0 H TYR A 32 15.626 -4.811 -11.881 1.00 72.24 H new ATOM 0 HA TYR A 32 13.767 -2.634 -11.907 1.00 30.15 H new ATOM 0 HB2 TYR A 32 14.651 -4.609 -9.767 1.00 30.12 H new ATOM 0 HB3 TYR A 32 13.351 -3.454 -9.549 1.00 30.12 H new ATOM 0 HD1 TYR A 32 12.250 -3.678 -12.441 1.00 55.34 H new ATOM 0 HD2 TYR A 32 13.327 -6.608 -9.542 1.00 64.10 H new ATOM 0 HE1 TYR A 32 10.670 -5.259 -13.456 1.00 33.43 H new ATOM 0 HE2 TYR A 32 11.752 -8.194 -10.558 1.00 2.23 H new ATOM 0 HH TYR A 32 10.257 -8.556 -12.141 1.00 75.31 H new ATOM 486 N TYR A 33 16.533 -2.376 -10.141 1.00 40.03 N ATOM 487 CA TYR A 33 17.386 -1.435 -9.426 1.00 4.03 C ATOM 488 C TYR A 33 17.782 -0.267 -10.324 1.00 4.13 C ATOM 489 O TYR A 33 18.043 0.838 -9.847 1.00 64.02 O ATOM 490 CB TYR A 33 18.640 -2.143 -8.908 1.00 51.42 C ATOM 491 CG TYR A 33 19.425 -1.328 -7.905 1.00 13.10 C ATOM 492 CD1 TYR A 33 20.246 -0.286 -8.317 1.00 2.01 C ATOM 493 CD2 TYR A 33 19.344 -1.600 -6.545 1.00 14.33 C ATOM 494 CE1 TYR A 33 20.965 0.460 -7.404 1.00 5.33 C ATOM 495 CE2 TYR A 33 20.058 -0.858 -5.624 1.00 42.42 C ATOM 496 CZ TYR A 33 20.868 0.171 -6.059 1.00 20.14 C ATOM 497 OH TYR A 33 21.582 0.913 -5.146 1.00 32.03 O ATOM 0 H TYR A 33 16.943 -3.300 -10.274 1.00 40.03 H new ATOM 0 HA TYR A 33 16.822 -1.043 -8.580 1.00 4.03 H new ATOM 0 HB2 TYR A 33 18.350 -3.088 -8.448 1.00 51.42 H new ATOM 0 HB3 TYR A 33 19.286 -2.384 -9.752 1.00 51.42 H new ATOM 0 HD1 TYR A 33 20.323 -0.055 -9.369 1.00 2.01 H new ATOM 0 HD2 TYR A 33 18.712 -2.406 -6.202 1.00 14.33 H new ATOM 0 HE1 TYR A 33 21.600 1.266 -7.742 1.00 5.33 H new ATOM 0 HE2 TYR A 33 19.983 -1.082 -4.570 1.00 42.42 H new ATOM 0 HH TYR A 33 21.401 0.581 -4.242 1.00 32.03 H new ATOM 507 N LYS A 34 17.824 -0.519 -11.627 1.00 64.55 N ATOM 508 CA LYS A 34 18.186 0.509 -12.595 1.00 41.34 C ATOM 509 C LYS A 34 16.959 1.305 -13.028 1.00 73.44 C ATOM 510 O LYS A 34 17.047 2.504 -13.291 1.00 34.31 O ATOM 511 CB LYS A 34 18.854 -0.124 -13.818 1.00 1.10 C ATOM 512 CG LYS A 34 20.176 -0.804 -13.505 1.00 75.30 C ATOM 513 CD LYS A 34 21.161 0.159 -12.864 1.00 35.21 C ATOM 514 CE LYS A 34 21.448 1.347 -13.769 1.00 60.23 C ATOM 515 NZ LYS A 34 22.691 2.062 -13.368 1.00 12.23 N ATOM 0 H LYS A 34 17.611 -1.428 -12.038 1.00 64.55 H new ATOM 0 HA LYS A 34 18.890 1.190 -12.117 1.00 41.34 H new ATOM 0 HB2 LYS A 34 18.174 -0.855 -14.256 1.00 1.10 H new ATOM 0 HB3 LYS A 34 19.021 0.647 -14.570 1.00 1.10 H new ATOM 0 HG2 LYS A 34 20.003 -1.647 -12.836 1.00 75.30 H new ATOM 0 HG3 LYS A 34 20.605 -1.207 -14.422 1.00 75.30 H new ATOM 0 HD2 LYS A 34 20.760 0.512 -11.914 1.00 35.21 H new ATOM 0 HD3 LYS A 34 22.091 -0.364 -12.643 1.00 35.21 H new ATOM 0 HE2 LYS A 34 21.543 1.004 -14.799 1.00 60.23 H new ATOM 0 HE3 LYS A 34 20.606 2.038 -13.739 1.00 60.23 H new ATOM 0 HZ1 LYS A 34 22.852 2.865 -14.009 1.00 12.23 H new ATOM 0 HZ2 LYS A 34 22.591 2.411 -12.394 1.00 12.23 H new ATOM 0 HZ3 LYS A 34 23.499 1.410 -13.421 1.00 12.23 H new ATOM 529 N GLN A 35 15.816 0.629 -13.099 1.00 42.12 N ATOM 530 CA GLN A 35 14.571 1.274 -13.500 1.00 4.34 C ATOM 531 C GLN A 35 13.991 2.097 -12.354 1.00 24.33 C ATOM 532 O GLN A 35 13.310 3.096 -12.577 1.00 55.44 O ATOM 533 CB GLN A 35 13.554 0.228 -13.958 1.00 23.32 C ATOM 534 CG GLN A 35 13.766 -0.241 -15.389 1.00 14.54 C ATOM 535 CD GLN A 35 13.619 0.881 -16.397 1.00 50.54 C ATOM 536 OE1 GLN A 35 13.154 1.972 -16.067 1.00 14.43 O ATOM 537 NE2 GLN A 35 14.017 0.619 -17.637 1.00 14.10 N ATOM 0 H GLN A 35 15.727 -0.364 -12.884 1.00 42.12 H new ATOM 0 HA GLN A 35 14.790 1.945 -14.331 1.00 4.34 H new ATOM 0 HB2 GLN A 35 13.605 -0.633 -13.291 1.00 23.32 H new ATOM 0 HB3 GLN A 35 12.551 0.644 -13.866 1.00 23.32 H new ATOM 0 HG2 GLN A 35 14.760 -0.679 -15.481 1.00 14.54 H new ATOM 0 HG3 GLN A 35 13.048 -1.028 -15.620 1.00 14.54 H new ATOM 0 HE21 GLN A 35 14.397 -0.299 -17.867 1.00 14.10 H new ATOM 0 HE22 GLN A 35 13.943 1.336 -18.359 1.00 14.10 H new ATOM 546 N ALA A 36 14.267 1.669 -11.126 1.00 72.41 N ATOM 547 CA ALA A 36 13.774 2.366 -9.945 1.00 53.31 C ATOM 548 C ALA A 36 14.731 3.476 -9.523 1.00 61.42 C ATOM 549 O ALA A 36 14.464 4.214 -8.574 1.00 70.22 O ATOM 550 CB ALA A 36 13.563 1.385 -8.802 1.00 22.23 C ATOM 0 H ALA A 36 14.830 0.843 -10.924 1.00 72.41 H new ATOM 0 HA ALA A 36 12.817 2.823 -10.197 1.00 53.31 H new ATOM 0 HB1 ALA A 36 13.195 1.920 -7.927 1.00 22.23 H new ATOM 0 HB2 ALA A 36 12.834 0.631 -9.100 1.00 22.23 H new ATOM 0 HB3 ALA A 36 14.509 0.900 -8.559 1.00 22.23 H new ATOM 556 N THR A 37 15.849 3.588 -10.234 1.00 2.24 N ATOM 557 CA THR A 37 16.847 4.606 -9.932 1.00 5.24 C ATOM 558 C THR A 37 17.008 5.581 -11.093 1.00 33.33 C ATOM 559 O THR A 37 17.191 6.781 -10.888 1.00 62.24 O ATOM 560 CB THR A 37 18.216 3.974 -9.614 1.00 51.30 C ATOM 561 OG1 THR A 37 18.124 3.177 -8.428 1.00 40.20 O ATOM 562 CG2 THR A 37 19.278 5.048 -9.429 1.00 33.24 C ATOM 0 H THR A 37 16.086 2.986 -11.023 1.00 2.24 H new ATOM 0 HA THR A 37 16.491 5.146 -9.055 1.00 5.24 H new ATOM 0 HB THR A 37 18.504 3.342 -10.454 1.00 51.30 H new ATOM 0 HG1 THR A 37 18.061 2.231 -8.674 1.00 40.20 H new ATOM 0 HG21 THR A 37 20.236 4.578 -9.205 1.00 33.24 H new ATOM 0 HG22 THR A 37 19.366 5.634 -10.344 1.00 33.24 H new ATOM 0 HG23 THR A 37 18.994 5.702 -8.605 1.00 33.24 H new ATOM 570 N VAL A 38 16.937 5.058 -12.313 1.00 35.53 N ATOM 571 CA VAL A 38 17.072 5.882 -13.507 1.00 51.23 C ATOM 572 C VAL A 38 15.713 6.158 -14.142 1.00 3.15 C ATOM 573 O VAL A 38 15.295 7.309 -14.263 1.00 21.25 O ATOM 574 CB VAL A 38 17.987 5.213 -14.550 1.00 53.34 C ATOM 575 CG1 VAL A 38 18.219 6.143 -15.732 1.00 2.14 C ATOM 576 CG2 VAL A 38 19.307 4.804 -13.916 1.00 22.22 C ATOM 0 H VAL A 38 16.787 4.067 -12.500 1.00 35.53 H new ATOM 0 HA VAL A 38 17.520 6.824 -13.192 1.00 51.23 H new ATOM 0 HB VAL A 38 17.493 4.314 -14.918 1.00 53.34 H new ATOM 0 HG11 VAL A 38 18.868 5.653 -16.458 1.00 2.14 H new ATOM 0 HG12 VAL A 38 17.264 6.381 -16.201 1.00 2.14 H new ATOM 0 HG13 VAL A 38 18.692 7.062 -15.385 1.00 2.14 H new ATOM 0 HG21 VAL A 38 19.941 4.333 -14.667 1.00 22.22 H new ATOM 0 HG22 VAL A 38 19.809 5.686 -13.519 1.00 22.22 H new ATOM 0 HG23 VAL A 38 19.119 4.099 -13.106 1.00 22.22 H new ATOM 586 N GLY A 39 15.027 5.093 -14.545 1.00 62.01 N ATOM 587 CA GLY A 39 13.722 5.241 -15.162 1.00 0.30 C ATOM 588 C GLY A 39 13.685 4.701 -16.578 1.00 2.32 C ATOM 589 O GLY A 39 12.619 4.369 -17.095 1.00 55.22 O ATOM 0 H GLY A 39 15.352 4.130 -14.455 1.00 62.01 H new ATOM 0 HA2 GLY A 39 12.977 4.721 -14.559 1.00 0.30 H new ATOM 0 HA3 GLY A 39 13.445 6.295 -15.171 1.00 0.30 H new ATOM 593 N ASP A 40 14.852 4.615 -17.207 1.00 21.33 N ATOM 594 CA ASP A 40 14.949 4.112 -18.572 1.00 63.21 C ATOM 595 C ASP A 40 16.378 3.685 -18.894 1.00 3.43 C ATOM 596 O ASP A 40 17.326 4.106 -18.229 1.00 63.42 O ATOM 597 CB ASP A 40 14.486 5.179 -19.565 1.00 65.34 C ATOM 598 CG ASP A 40 15.277 6.466 -19.442 1.00 43.34 C ATOM 599 OD1 ASP A 40 16.259 6.489 -18.670 1.00 71.43 O ATOM 600 OD2 ASP A 40 14.915 7.451 -20.119 1.00 1.43 O ATOM 0 H ASP A 40 15.744 4.887 -16.793 1.00 21.33 H new ATOM 0 HA ASP A 40 14.301 3.240 -18.659 1.00 63.21 H new ATOM 0 HB2 ASP A 40 14.582 4.793 -20.580 1.00 65.34 H new ATOM 0 HB3 ASP A 40 13.429 5.389 -19.402 1.00 65.34 H new ATOM 605 N CYS A 41 16.525 2.849 -19.915 1.00 33.31 N ATOM 606 CA CYS A 41 17.838 2.364 -20.324 1.00 23.45 C ATOM 607 C CYS A 41 18.392 3.197 -21.475 1.00 75.30 C ATOM 608 O CYS A 41 17.753 3.335 -22.517 1.00 73.53 O ATOM 609 CB CYS A 41 17.756 0.893 -20.735 1.00 43.05 C ATOM 610 SG CYS A 41 19.333 0.187 -21.271 1.00 54.51 S ATOM 0 H CYS A 41 15.751 2.493 -20.475 1.00 33.31 H new ATOM 0 HA CYS A 41 18.514 2.459 -19.474 1.00 23.45 H new ATOM 0 HB2 CYS A 41 17.377 0.312 -19.894 1.00 43.05 H new ATOM 0 HB3 CYS A 41 17.032 0.793 -21.543 1.00 43.05 H new ATOM 0 HG CYS A 41 20.027 -0.165 -20.230 1.00 54.51 H new ATOM 616 N ASN A 42 19.583 3.752 -21.278 1.00 30.21 N ATOM 617 CA ASN A 42 20.222 4.574 -22.299 1.00 74.13 C ATOM 618 C ASN A 42 21.723 4.307 -22.352 1.00 11.31 C ATOM 619 O ASN A 42 22.532 5.196 -22.086 1.00 45.13 O ATOM 620 CB ASN A 42 19.965 6.057 -22.024 1.00 31.11 C ATOM 621 CG ASN A 42 18.597 6.304 -21.418 1.00 52.23 C ATOM 622 OD1 ASN A 42 17.571 6.086 -22.063 1.00 64.55 O ATOM 623 ND2 ASN A 42 18.576 6.763 -20.172 1.00 73.12 N ATOM 0 H ASN A 42 20.125 3.648 -20.421 1.00 30.21 H new ATOM 0 HA ASN A 42 19.790 4.311 -23.265 1.00 74.13 H new ATOM 0 HB2 ASN A 42 20.732 6.437 -21.349 1.00 31.11 H new ATOM 0 HB3 ASN A 42 20.053 6.617 -22.955 1.00 31.11 H new ATOM 0 HD21 ASN A 42 17.685 6.949 -19.712 1.00 73.12 H new ATOM 0 HD22 ASN A 42 19.451 6.929 -19.675 1.00 73.12 H new ATOM 630 N LYS A 43 22.088 3.077 -22.697 1.00 40.30 N ATOM 631 CA LYS A 43 23.491 2.692 -22.787 1.00 44.20 C ATOM 632 C LYS A 43 23.783 2.005 -24.117 1.00 73.22 C ATOM 633 O LYS A 43 22.899 1.428 -24.752 1.00 4.10 O ATOM 634 CB LYS A 43 23.862 1.763 -21.629 1.00 11.02 C ATOM 635 CG LYS A 43 23.785 2.429 -20.266 1.00 50.30 C ATOM 636 CD LYS A 43 25.058 3.194 -19.947 1.00 4.33 C ATOM 637 CE LYS A 43 24.895 4.683 -20.211 1.00 4.21 C ATOM 638 NZ LYS A 43 23.825 5.282 -19.367 1.00 11.43 N ATOM 0 H LYS A 43 21.431 2.329 -22.919 1.00 40.30 H new ATOM 0 HA LYS A 43 24.094 3.598 -22.726 1.00 44.20 H new ATOM 0 HB2 LYS A 43 23.197 0.899 -21.640 1.00 11.02 H new ATOM 0 HB3 LYS A 43 24.874 1.389 -21.784 1.00 11.02 H new ATOM 0 HG2 LYS A 43 22.934 3.110 -20.240 1.00 50.30 H new ATOM 0 HG3 LYS A 43 23.612 1.673 -19.500 1.00 50.30 H new ATOM 0 HD2 LYS A 43 25.327 3.036 -18.902 1.00 4.33 H new ATOM 0 HD3 LYS A 43 25.878 2.804 -20.550 1.00 4.33 H new ATOM 0 HE2 LYS A 43 25.839 5.192 -20.016 1.00 4.21 H new ATOM 0 HE3 LYS A 43 24.659 4.842 -21.263 1.00 4.21 H new ATOM 0 HZ1 LYS A 43 24.162 6.180 -18.964 1.00 11.43 H new ATOM 0 HZ2 LYS A 43 22.982 5.459 -19.949 1.00 11.43 H new ATOM 0 HZ3 LYS A 43 23.582 4.626 -18.597 1.00 11.43 H new ATOM 652 N PRO A 44 25.051 2.065 -24.550 1.00 72.21 N ATOM 653 CA PRO A 44 25.488 1.451 -25.808 1.00 12.42 C ATOM 654 C PRO A 44 25.478 -0.072 -25.744 1.00 25.03 C ATOM 655 O PRO A 44 25.600 -0.660 -24.669 1.00 2.44 O ATOM 656 CB PRO A 44 26.918 1.971 -25.978 1.00 33.24 C ATOM 657 CG PRO A 44 27.376 2.277 -24.594 1.00 25.23 C ATOM 658 CD PRO A 44 26.156 2.735 -23.845 1.00 11.43 C ATOM 0 HA PRO A 44 24.827 1.704 -26.637 1.00 12.42 H new ATOM 0 HB2 PRO A 44 27.557 1.225 -26.451 1.00 33.24 H new ATOM 0 HB3 PRO A 44 26.944 2.859 -26.609 1.00 33.24 H new ATOM 0 HG2 PRO A 44 27.814 1.396 -24.124 1.00 25.23 H new ATOM 0 HG3 PRO A 44 28.144 3.051 -24.599 1.00 25.23 H new ATOM 0 HD2 PRO A 44 26.197 2.445 -22.795 1.00 11.43 H new ATOM 0 HD3 PRO A 44 26.051 3.820 -23.873 1.00 11.43 H new ATOM 666 N LYS A 45 25.334 -0.707 -26.902 1.00 33.33 N ATOM 667 CA LYS A 45 25.310 -2.163 -26.979 1.00 22.25 C ATOM 668 C LYS A 45 26.635 -2.754 -26.508 1.00 22.32 C ATOM 669 O LYS A 45 27.715 -2.293 -26.878 1.00 11.41 O ATOM 670 CB LYS A 45 25.019 -2.614 -28.412 1.00 32.24 C ATOM 671 CG LYS A 45 24.841 -4.116 -28.552 1.00 71.13 C ATOM 672 CD LYS A 45 23.397 -4.530 -28.324 1.00 72.34 C ATOM 673 CE LYS A 45 23.249 -6.044 -28.297 1.00 52.21 C ATOM 674 NZ LYS A 45 21.860 -6.471 -28.622 1.00 33.23 N ATOM 0 H LYS A 45 25.232 -0.236 -27.801 1.00 33.33 H new ATOM 0 HA LYS A 45 24.517 -2.524 -26.323 1.00 22.25 H new ATOM 0 HB2 LYS A 45 24.116 -2.115 -28.765 1.00 32.24 H new ATOM 0 HB3 LYS A 45 25.835 -2.291 -29.058 1.00 32.24 H new ATOM 0 HG2 LYS A 45 25.158 -4.430 -29.547 1.00 71.13 H new ATOM 0 HG3 LYS A 45 25.485 -4.628 -27.836 1.00 71.13 H new ATOM 0 HD2 LYS A 45 23.042 -4.112 -27.382 1.00 72.34 H new ATOM 0 HD3 LYS A 45 22.770 -4.116 -29.113 1.00 72.34 H new ATOM 0 HE2 LYS A 45 23.942 -6.489 -29.010 1.00 52.21 H new ATOM 0 HE3 LYS A 45 23.523 -6.418 -27.310 1.00 52.21 H new ATOM 0 HZ1 LYS A 45 21.800 -7.509 -28.593 1.00 33.23 H new ATOM 0 HZ2 LYS A 45 21.201 -6.067 -27.927 1.00 33.23 H new ATOM 0 HZ3 LYS A 45 21.608 -6.136 -29.574 1.00 33.23 H new ATOM 688 N PRO A 46 26.554 -3.801 -25.673 1.00 71.22 N ATOM 689 CA PRO A 46 27.738 -4.479 -25.136 1.00 35.00 C ATOM 690 C PRO A 46 28.491 -5.264 -26.204 1.00 72.23 C ATOM 691 O PRO A 46 28.269 -5.075 -27.400 1.00 31.15 O ATOM 692 CB PRO A 46 27.156 -5.428 -24.085 1.00 62.11 C ATOM 693 CG PRO A 46 25.757 -5.677 -24.532 1.00 11.54 C ATOM 694 CD PRO A 46 25.300 -4.404 -25.190 1.00 63.12 C ATOM 0 HA PRO A 46 28.466 -3.773 -24.737 1.00 35.00 H new ATOM 0 HB2 PRO A 46 27.725 -6.356 -24.031 1.00 62.11 H new ATOM 0 HB3 PRO A 46 27.180 -4.981 -23.091 1.00 62.11 H new ATOM 0 HG2 PRO A 46 25.713 -6.514 -25.229 1.00 11.54 H new ATOM 0 HG3 PRO A 46 25.117 -5.931 -23.687 1.00 11.54 H new ATOM 0 HD2 PRO A 46 24.607 -4.601 -26.008 1.00 63.12 H new ATOM 0 HD3 PRO A 46 24.785 -3.750 -24.486 1.00 63.12 H new ATOM 702 N GLY A 47 29.383 -6.147 -25.765 1.00 72.00 N ATOM 703 CA GLY A 47 30.155 -6.948 -26.697 1.00 11.10 C ATOM 704 C GLY A 47 29.285 -7.868 -27.530 1.00 52.22 C ATOM 705 O GLY A 47 28.099 -7.603 -27.725 1.00 32.22 O ATOM 0 H GLY A 47 29.585 -6.322 -24.781 1.00 72.00 H new ATOM 0 HA2 GLY A 47 30.718 -6.289 -27.358 1.00 11.10 H new ATOM 0 HA3 GLY A 47 30.882 -7.543 -26.144 1.00 11.10 H new ATOM 709 N MET A 48 29.875 -8.951 -28.025 1.00 3.22 N ATOM 710 CA MET A 48 29.145 -9.913 -28.842 1.00 43.35 C ATOM 711 C MET A 48 29.427 -11.340 -28.384 1.00 73.11 C ATOM 712 O MET A 48 28.546 -12.200 -28.423 1.00 30.43 O ATOM 713 CB MET A 48 29.525 -9.754 -30.316 1.00 11.40 C ATOM 714 CG MET A 48 28.444 -10.223 -31.276 1.00 52.10 C ATOM 715 SD MET A 48 28.909 -10.007 -33.005 1.00 14.23 S ATOM 716 CE MET A 48 27.797 -8.690 -33.492 1.00 50.40 C ATOM 0 H MET A 48 30.857 -9.184 -27.875 1.00 3.22 H new ATOM 0 HA MET A 48 28.079 -9.717 -28.725 1.00 43.35 H new ATOM 0 HB2 MET A 48 29.746 -8.705 -30.515 1.00 11.40 H new ATOM 0 HB3 MET A 48 30.440 -10.315 -30.510 1.00 11.40 H new ATOM 0 HG2 MET A 48 28.230 -11.276 -31.090 1.00 52.10 H new ATOM 0 HG3 MET A 48 27.525 -9.671 -31.079 1.00 52.10 H new ATOM 0 HE1 MET A 48 27.963 -8.442 -34.540 1.00 50.40 H new ATOM 0 HE2 MET A 48 26.766 -9.015 -33.355 1.00 50.40 H new ATOM 0 HE3 MET A 48 27.984 -7.810 -32.877 1.00 50.40 H new ATOM 726 N LEU A 49 30.658 -11.586 -27.951 1.00 3.41 N ATOM 727 CA LEU A 49 31.056 -12.910 -27.485 1.00 52.30 C ATOM 728 C LEU A 49 30.332 -13.272 -26.192 1.00 72.14 C ATOM 729 O LEU A 49 30.411 -14.407 -25.724 1.00 31.25 O ATOM 730 CB LEU A 49 32.569 -12.962 -27.268 1.00 30.45 C ATOM 731 CG LEU A 49 33.088 -12.288 -25.997 1.00 64.31 C ATOM 732 CD1 LEU A 49 32.519 -10.884 -25.867 1.00 42.01 C ATOM 733 CD2 LEU A 49 32.742 -13.122 -24.772 1.00 4.54 C ATOM 0 H LEU A 49 31.399 -10.886 -27.913 1.00 3.41 H new ATOM 0 HA LEU A 49 30.780 -13.636 -28.250 1.00 52.30 H new ATOM 0 HB2 LEU A 49 32.878 -14.007 -27.253 1.00 30.45 H new ATOM 0 HB3 LEU A 49 33.055 -12.498 -28.126 1.00 30.45 H new ATOM 0 HG LEU A 49 34.173 -12.213 -26.066 1.00 64.31 H new ATOM 0 HD11 LEU A 49 32.899 -10.420 -24.957 1.00 42.01 H new ATOM 0 HD12 LEU A 49 32.818 -10.289 -26.730 1.00 42.01 H new ATOM 0 HD13 LEU A 49 31.431 -10.935 -25.821 1.00 42.01 H new ATOM 0 HD21 LEU A 49 33.119 -12.627 -23.877 1.00 4.54 H new ATOM 0 HD22 LEU A 49 31.660 -13.229 -24.699 1.00 4.54 H new ATOM 0 HD23 LEU A 49 33.199 -14.107 -24.862 1.00 4.54 H new ATOM 745 N GLN A 50 29.625 -12.301 -25.623 1.00 45.43 N ATOM 746 CA GLN A 50 28.886 -12.519 -24.386 1.00 2.34 C ATOM 747 C GLN A 50 27.407 -12.757 -24.670 1.00 31.41 C ATOM 748 O GLN A 50 26.811 -12.091 -25.518 1.00 25.30 O ATOM 749 CB GLN A 50 29.051 -11.320 -23.450 1.00 51.53 C ATOM 750 CG GLN A 50 30.232 -11.446 -22.502 1.00 2.51 C ATOM 751 CD GLN A 50 30.113 -10.534 -21.297 1.00 13.24 C ATOM 752 OE1 GLN A 50 30.456 -10.917 -20.178 1.00 12.33 O ATOM 753 NE2 GLN A 50 29.624 -9.319 -21.519 1.00 23.21 N ATOM 0 H GLN A 50 29.549 -11.356 -25.999 1.00 45.43 H new ATOM 0 HA GLN A 50 29.292 -13.407 -23.902 1.00 2.34 H new ATOM 0 HB2 GLN A 50 29.171 -10.417 -24.048 1.00 51.53 H new ATOM 0 HB3 GLN A 50 28.139 -11.197 -22.866 1.00 51.53 H new ATOM 0 HG2 GLN A 50 30.313 -12.479 -22.164 1.00 2.51 H new ATOM 0 HG3 GLN A 50 31.151 -11.213 -23.040 1.00 2.51 H new ATOM 0 HE21 GLN A 50 29.352 -9.043 -22.463 1.00 23.21 H new ATOM 0 HE22 GLN A 50 29.520 -8.662 -20.746 1.00 23.21 H new ATOM 762 N LEU A 51 26.819 -13.711 -23.957 1.00 30.34 N ATOM 763 CA LEU A 51 25.408 -14.039 -24.132 1.00 42.42 C ATOM 764 C LEU A 51 24.539 -13.237 -23.168 1.00 62.23 C ATOM 765 O LEU A 51 23.643 -12.506 -23.588 1.00 51.13 O ATOM 766 CB LEU A 51 25.181 -15.536 -23.917 1.00 42.00 C ATOM 767 CG LEU A 51 25.931 -16.472 -24.866 1.00 1.32 C ATOM 768 CD1 LEU A 51 26.387 -17.723 -24.132 1.00 30.15 C ATOM 769 CD2 LEU A 51 25.056 -16.838 -26.056 1.00 30.35 C ATOM 0 H LEU A 51 27.297 -14.271 -23.252 1.00 30.34 H new ATOM 0 HA LEU A 51 25.124 -13.778 -25.151 1.00 42.42 H new ATOM 0 HB2 LEU A 51 25.466 -15.783 -22.894 1.00 42.00 H new ATOM 0 HB3 LEU A 51 24.114 -15.738 -24.008 1.00 42.00 H new ATOM 0 HG LEU A 51 26.814 -15.951 -25.237 1.00 1.32 H new ATOM 0 HD11 LEU A 51 26.919 -18.377 -24.823 1.00 30.15 H new ATOM 0 HD12 LEU A 51 27.051 -17.443 -23.314 1.00 30.15 H new ATOM 0 HD13 LEU A 51 25.519 -18.247 -23.732 1.00 30.15 H new ATOM 0 HD21 LEU A 51 25.606 -17.504 -26.721 1.00 30.35 H new ATOM 0 HD22 LEU A 51 24.154 -17.339 -25.704 1.00 30.35 H new ATOM 0 HD23 LEU A 51 24.780 -15.933 -26.597 1.00 30.35 H new ATOM 781 N GLN A 52 24.813 -13.379 -21.875 1.00 74.24 N ATOM 782 CA GLN A 52 24.056 -12.667 -20.852 1.00 42.15 C ATOM 783 C GLN A 52 23.977 -11.178 -21.172 1.00 52.31 C ATOM 784 O GLN A 52 22.968 -10.528 -20.900 1.00 33.41 O ATOM 785 CB GLN A 52 24.697 -12.872 -19.479 1.00 31.33 C ATOM 786 CG GLN A 52 26.204 -12.673 -19.474 1.00 70.14 C ATOM 787 CD GLN A 52 26.964 -13.971 -19.286 1.00 33.32 C ATOM 788 OE1 GLN A 52 26.973 -14.546 -18.197 1.00 33.21 O ATOM 789 NE2 GLN A 52 27.607 -14.441 -20.348 1.00 73.04 N ATOM 0 H GLN A 52 25.553 -13.980 -21.511 1.00 74.24 H new ATOM 0 HA GLN A 52 23.044 -13.071 -20.837 1.00 42.15 H new ATOM 0 HB2 GLN A 52 24.245 -12.179 -18.769 1.00 31.33 H new ATOM 0 HB3 GLN A 52 24.471 -13.879 -19.129 1.00 31.33 H new ATOM 0 HG2 GLN A 52 26.509 -12.211 -20.413 1.00 70.14 H new ATOM 0 HG3 GLN A 52 26.472 -11.981 -18.676 1.00 70.14 H new ATOM 0 HE21 GLN A 52 27.573 -13.932 -21.231 1.00 73.04 H new ATOM 0 HE22 GLN A 52 28.135 -15.311 -20.281 1.00 73.04 H new ATOM 798 N GLU A 53 25.048 -10.644 -21.751 1.00 0.34 N ATOM 799 CA GLU A 53 25.099 -9.230 -22.106 1.00 33.32 C ATOM 800 C GLU A 53 23.847 -8.817 -22.875 1.00 21.31 C ATOM 801 O GLU A 53 23.324 -7.718 -22.689 1.00 21.42 O ATOM 802 CB GLU A 53 26.345 -8.936 -22.943 1.00 23.41 C ATOM 803 CG GLU A 53 26.186 -9.282 -24.414 1.00 51.30 C ATOM 804 CD GLU A 53 27.477 -9.124 -25.193 1.00 60.35 C ATOM 805 OE1 GLU A 53 28.386 -8.424 -24.700 1.00 32.24 O ATOM 806 OE2 GLU A 53 27.579 -9.701 -26.297 1.00 11.55 O ATOM 0 H GLU A 53 25.891 -11.168 -21.984 1.00 0.34 H new ATOM 0 HA GLU A 53 25.145 -8.651 -21.183 1.00 33.32 H new ATOM 0 HB2 GLU A 53 26.592 -7.878 -22.852 1.00 23.41 H new ATOM 0 HB3 GLU A 53 27.187 -9.496 -22.536 1.00 23.41 H new ATOM 0 HG2 GLU A 53 25.834 -10.310 -24.506 1.00 51.30 H new ATOM 0 HG3 GLU A 53 25.420 -8.642 -24.853 1.00 51.30 H new ATOM 813 N LYS A 54 23.372 -9.706 -23.741 1.00 31.12 N ATOM 814 CA LYS A 54 22.182 -9.437 -24.539 1.00 13.21 C ATOM 815 C LYS A 54 20.937 -9.385 -23.659 1.00 11.51 C ATOM 816 O LYS A 54 20.104 -8.488 -23.798 1.00 22.25 O ATOM 817 CB LYS A 54 22.012 -10.509 -25.617 1.00 63.33 C ATOM 818 CG LYS A 54 22.932 -10.322 -26.811 1.00 64.02 C ATOM 819 CD LYS A 54 24.079 -11.319 -26.793 1.00 3.40 C ATOM 820 CE LYS A 54 23.603 -12.723 -27.130 1.00 72.05 C ATOM 821 NZ LYS A 54 23.088 -12.814 -28.525 1.00 65.10 N ATOM 0 H LYS A 54 23.794 -10.620 -23.908 1.00 31.12 H new ATOM 0 HA LYS A 54 22.309 -8.466 -25.018 1.00 13.21 H new ATOM 0 HB2 LYS A 54 22.197 -11.488 -25.176 1.00 63.33 H new ATOM 0 HB3 LYS A 54 20.978 -10.505 -25.962 1.00 63.33 H new ATOM 0 HG2 LYS A 54 22.362 -10.439 -27.733 1.00 64.02 H new ATOM 0 HG3 LYS A 54 23.331 -9.307 -26.809 1.00 64.02 H new ATOM 0 HD2 LYS A 54 24.841 -11.011 -27.508 1.00 3.40 H new ATOM 0 HD3 LYS A 54 24.547 -11.319 -25.809 1.00 3.40 H new ATOM 0 HE2 LYS A 54 24.425 -13.426 -27.000 1.00 72.05 H new ATOM 0 HE3 LYS A 54 22.818 -13.018 -26.433 1.00 72.05 H new ATOM 0 HZ1 LYS A 54 23.061 -13.811 -28.821 1.00 65.10 H new ATOM 0 HZ2 LYS A 54 22.129 -12.414 -28.568 1.00 65.10 H new ATOM 0 HZ3 LYS A 54 23.714 -12.281 -29.162 1.00 65.10 H new ATOM 835 N TYR A 55 20.817 -10.349 -22.754 1.00 22.14 N ATOM 836 CA TYR A 55 19.673 -10.413 -21.852 1.00 24.13 C ATOM 837 C TYR A 55 19.672 -9.229 -20.889 1.00 74.41 C ATOM 838 O TYR A 55 18.618 -8.685 -20.557 1.00 25.01 O ATOM 839 CB TYR A 55 19.691 -11.725 -21.065 1.00 14.33 C ATOM 840 CG TYR A 55 19.896 -12.947 -21.930 1.00 63.40 C ATOM 841 CD1 TYR A 55 19.267 -13.064 -23.163 1.00 71.31 C ATOM 842 CD2 TYR A 55 20.721 -13.986 -21.515 1.00 2.44 C ATOM 843 CE1 TYR A 55 19.451 -14.180 -23.956 1.00 44.04 C ATOM 844 CE2 TYR A 55 20.913 -15.104 -22.302 1.00 72.41 C ATOM 845 CZ TYR A 55 20.275 -15.197 -23.522 1.00 24.13 C ATOM 846 OH TYR A 55 20.463 -16.310 -24.310 1.00 0.43 O ATOM 0 H TYR A 55 21.498 -11.097 -22.625 1.00 22.14 H new ATOM 0 HA TYR A 55 18.765 -10.370 -22.453 1.00 24.13 H new ATOM 0 HB2 TYR A 55 20.485 -11.681 -20.319 1.00 14.33 H new ATOM 0 HB3 TYR A 55 18.750 -11.827 -20.524 1.00 14.33 H new ATOM 0 HD1 TYR A 55 18.623 -12.269 -23.508 1.00 71.31 H new ATOM 0 HD2 TYR A 55 21.221 -13.917 -20.560 1.00 2.44 H new ATOM 0 HE1 TYR A 55 18.952 -14.256 -24.911 1.00 44.04 H new ATOM 0 HE2 TYR A 55 21.559 -15.901 -21.965 1.00 72.41 H new ATOM 0 HH TYR A 55 21.073 -16.931 -23.859 1.00 0.43 H new ATOM 856 N LYS A 56 20.860 -8.835 -20.445 1.00 21.24 N ATOM 857 CA LYS A 56 20.999 -7.715 -19.522 1.00 22.04 C ATOM 858 C LYS A 56 20.746 -6.390 -20.233 1.00 3.53 C ATOM 859 O LYS A 56 20.384 -5.396 -19.603 1.00 0.03 O ATOM 860 CB LYS A 56 22.396 -7.713 -18.897 1.00 44.53 C ATOM 861 CG LYS A 56 22.750 -9.011 -18.193 1.00 64.03 C ATOM 862 CD LYS A 56 24.231 -9.329 -18.322 1.00 34.35 C ATOM 863 CE LYS A 56 25.081 -8.359 -17.517 1.00 2.33 C ATOM 864 NZ LYS A 56 26.511 -8.398 -17.931 1.00 71.45 N ATOM 0 H LYS A 56 21.741 -9.275 -20.710 1.00 21.24 H new ATOM 0 HA LYS A 56 20.255 -7.831 -18.734 1.00 22.04 H new ATOM 0 HB2 LYS A 56 23.133 -7.520 -19.676 1.00 44.53 H new ATOM 0 HB3 LYS A 56 22.464 -6.892 -18.183 1.00 44.53 H new ATOM 0 HG2 LYS A 56 22.483 -8.939 -17.139 1.00 64.03 H new ATOM 0 HG3 LYS A 56 22.163 -9.827 -18.615 1.00 64.03 H new ATOM 0 HD2 LYS A 56 24.417 -10.347 -17.980 1.00 34.35 H new ATOM 0 HD3 LYS A 56 24.523 -9.286 -19.371 1.00 34.35 H new ATOM 0 HE2 LYS A 56 24.694 -7.348 -17.642 1.00 2.33 H new ATOM 0 HE3 LYS A 56 25.003 -8.601 -16.457 1.00 2.33 H new ATOM 0 HZ1 LYS A 56 27.057 -7.723 -17.359 1.00 71.45 H new ATOM 0 HZ2 LYS A 56 26.888 -9.357 -17.788 1.00 71.45 H new ATOM 0 HZ3 LYS A 56 26.589 -8.142 -18.936 1.00 71.45 H new ATOM 878 N TRP A 57 20.938 -6.383 -21.547 1.00 0.42 N ATOM 879 CA TRP A 57 20.729 -5.179 -22.343 1.00 51.32 C ATOM 880 C TRP A 57 19.299 -5.115 -22.869 1.00 21.31 C ATOM 881 O TRP A 57 18.774 -4.035 -23.134 1.00 40.32 O ATOM 882 CB TRP A 57 21.717 -5.136 -23.510 1.00 72.42 C ATOM 883 CG TRP A 57 21.905 -3.763 -24.080 1.00 1.14 C ATOM 884 CD1 TRP A 57 22.625 -2.740 -23.531 1.00 61.14 C ATOM 885 CD2 TRP A 57 21.363 -3.262 -25.307 1.00 21.24 C ATOM 886 NE1 TRP A 57 22.563 -1.634 -24.344 1.00 5.42 N ATOM 887 CE2 TRP A 57 21.796 -1.928 -25.440 1.00 22.34 C ATOM 888 CE3 TRP A 57 20.556 -3.811 -26.307 1.00 23.13 C ATOM 889 CZ2 TRP A 57 21.447 -1.138 -26.532 1.00 22.25 C ATOM 890 CZ3 TRP A 57 20.211 -3.025 -27.390 1.00 35.54 C ATOM 891 CH2 TRP A 57 20.656 -1.701 -27.496 1.00 21.23 C ATOM 0 H TRP A 57 21.238 -7.197 -22.084 1.00 0.42 H new ATOM 0 HA TRP A 57 20.899 -4.315 -21.700 1.00 51.32 H new ATOM 0 HB2 TRP A 57 22.681 -5.517 -23.174 1.00 72.42 H new ATOM 0 HB3 TRP A 57 21.367 -5.804 -24.297 1.00 72.42 H new ATOM 0 HD1 TRP A 57 23.163 -2.793 -22.596 1.00 61.14 H new ATOM 0 HE1 TRP A 57 23.015 -0.738 -24.161 1.00 5.42 H new ATOM 0 HE3 TRP A 57 20.208 -4.831 -26.235 1.00 23.13 H new ATOM 0 HZ2 TRP A 57 21.789 -0.117 -26.615 1.00 22.25 H new ATOM 0 HZ3 TRP A 57 19.587 -3.439 -28.168 1.00 35.54 H new ATOM 0 HH2 TRP A 57 20.369 -1.113 -28.355 1.00 21.23 H new ATOM 902 N GLU A 58 18.675 -6.280 -23.017 1.00 1.14 N ATOM 903 CA GLU A 58 17.306 -6.354 -23.511 1.00 75.45 C ATOM 904 C GLU A 58 16.305 -6.171 -22.374 1.00 22.53 C ATOM 905 O GLU A 58 15.230 -5.603 -22.564 1.00 22.34 O ATOM 906 CB GLU A 58 17.063 -7.696 -24.207 1.00 44.53 C ATOM 907 CG GLU A 58 17.804 -7.839 -25.526 1.00 60.32 C ATOM 908 CD GLU A 58 16.933 -7.513 -26.723 1.00 55.43 C ATOM 909 OE1 GLU A 58 16.050 -6.638 -26.593 1.00 63.20 O ATOM 910 OE2 GLU A 58 17.132 -8.131 -27.790 1.00 1.23 O ATOM 0 H GLU A 58 19.096 -7.184 -22.802 1.00 1.14 H new ATOM 0 HA GLU A 58 17.164 -5.548 -24.230 1.00 75.45 H new ATOM 0 HB2 GLU A 58 17.367 -8.502 -23.540 1.00 44.53 H new ATOM 0 HB3 GLU A 58 15.994 -7.815 -24.385 1.00 44.53 H new ATOM 0 HG2 GLU A 58 18.673 -7.181 -25.524 1.00 60.32 H new ATOM 0 HG3 GLU A 58 18.177 -8.859 -25.620 1.00 60.32 H new ATOM 917 N ALA A 59 16.668 -6.658 -21.191 1.00 55.12 N ATOM 918 CA ALA A 59 15.804 -6.547 -20.022 1.00 74.34 C ATOM 919 C ALA A 59 15.649 -5.093 -19.590 1.00 74.20 C ATOM 920 O ALA A 59 14.536 -4.571 -19.524 1.00 12.10 O ATOM 921 CB ALA A 59 16.355 -7.384 -18.878 1.00 34.53 C ATOM 0 H ALA A 59 17.554 -7.133 -21.017 1.00 55.12 H new ATOM 0 HA ALA A 59 14.818 -6.925 -20.292 1.00 74.34 H new ATOM 0 HB1 ALA A 59 15.700 -7.292 -18.012 1.00 34.53 H new ATOM 0 HB2 ALA A 59 16.407 -8.429 -19.184 1.00 34.53 H new ATOM 0 HB3 ALA A 59 17.353 -7.032 -18.617 1.00 34.53 H new ATOM 927 N TRP A 60 16.770 -4.446 -19.296 1.00 42.22 N ATOM 928 CA TRP A 60 16.758 -3.051 -18.869 1.00 70.20 C ATOM 929 C TRP A 60 16.101 -2.165 -19.922 1.00 31.24 C ATOM 930 O TRP A 60 15.417 -1.197 -19.592 1.00 33.52 O ATOM 931 CB TRP A 60 18.183 -2.568 -18.595 1.00 41.22 C ATOM 932 CG TRP A 60 18.239 -1.209 -17.965 1.00 54.02 C ATOM 933 CD1 TRP A 60 17.202 -0.527 -17.395 1.00 30.24 C ATOM 934 CD2 TRP A 60 19.390 -0.367 -17.844 1.00 63.01 C ATOM 935 NE1 TRP A 60 17.640 0.688 -16.926 1.00 51.11 N ATOM 936 CE2 TRP A 60 18.979 0.810 -17.189 1.00 13.03 C ATOM 937 CE3 TRP A 60 20.729 -0.494 -18.223 1.00 43.53 C ATOM 938 CZ2 TRP A 60 19.859 1.851 -16.907 1.00 52.52 C ATOM 939 CZ3 TRP A 60 21.601 0.541 -17.943 1.00 44.15 C ATOM 940 CH2 TRP A 60 21.164 1.701 -17.290 1.00 31.10 C ATOM 0 H TRP A 60 17.699 -4.864 -19.345 1.00 42.22 H new ATOM 0 HA TRP A 60 16.176 -2.983 -17.950 1.00 70.20 H new ATOM 0 HB2 TRP A 60 18.682 -3.284 -17.942 1.00 41.22 H new ATOM 0 HB3 TRP A 60 18.739 -2.549 -19.532 1.00 41.22 H new ATOM 0 HD1 TRP A 60 16.187 -0.889 -17.323 1.00 30.24 H new ATOM 0 HE1 TRP A 60 17.062 1.386 -16.458 1.00 51.11 H new ATOM 0 HE3 TRP A 60 21.076 -1.385 -18.726 1.00 43.53 H new ATOM 0 HZ2 TRP A 60 19.524 2.746 -16.404 1.00 52.52 H new ATOM 0 HZ3 TRP A 60 22.638 0.454 -18.233 1.00 44.15 H new ATOM 0 HH2 TRP A 60 21.871 2.492 -17.085 1.00 31.10 H new ATOM 951 N ASN A 61 16.313 -2.503 -21.189 1.00 42.14 N ATOM 952 CA ASN A 61 15.741 -1.737 -22.291 1.00 11.45 C ATOM 953 C ASN A 61 14.268 -2.084 -22.487 1.00 44.23 C ATOM 954 O ASN A 61 13.502 -1.293 -23.037 1.00 32.25 O ATOM 955 CB ASN A 61 16.516 -2.004 -23.582 1.00 44.52 C ATOM 956 CG ASN A 61 15.923 -1.276 -24.773 1.00 60.55 C ATOM 957 OD1 ASN A 61 16.101 -0.068 -24.929 1.00 64.43 O ATOM 958 ND2 ASN A 61 15.213 -2.011 -25.621 1.00 75.41 N ATOM 0 H ASN A 61 16.877 -3.302 -21.479 1.00 42.14 H new ATOM 0 HA ASN A 61 15.817 -0.678 -22.043 1.00 11.45 H new ATOM 0 HB2 ASN A 61 17.553 -1.695 -23.450 1.00 44.52 H new ATOM 0 HB3 ASN A 61 16.525 -3.075 -23.782 1.00 44.52 H new ATOM 0 HD21 ASN A 61 14.789 -1.577 -26.441 1.00 75.41 H new ATOM 0 HD22 ASN A 61 15.091 -3.010 -25.452 1.00 75.41 H new ATOM 965 N ALA A 62 13.880 -3.271 -22.034 1.00 64.42 N ATOM 966 CA ALA A 62 12.500 -3.722 -22.158 1.00 32.43 C ATOM 967 C ALA A 62 11.573 -2.905 -21.264 1.00 23.44 C ATOM 968 O ALA A 62 10.374 -2.800 -21.526 1.00 4.20 O ATOM 969 CB ALA A 62 12.395 -5.202 -21.818 1.00 4.34 C ATOM 0 H ALA A 62 14.502 -3.938 -21.578 1.00 64.42 H new ATOM 0 HA ALA A 62 12.188 -3.575 -23.192 1.00 32.43 H new ATOM 0 HB1 ALA A 62 11.358 -5.525 -21.915 1.00 4.34 H new ATOM 0 HB2 ALA A 62 13.020 -5.777 -22.501 1.00 4.34 H new ATOM 0 HB3 ALA A 62 12.731 -5.365 -20.794 1.00 4.34 H new ATOM 975 N LEU A 63 12.135 -2.330 -20.207 1.00 3.44 N ATOM 976 CA LEU A 63 11.359 -1.522 -19.272 1.00 51.23 C ATOM 977 C LEU A 63 11.631 -0.036 -19.481 1.00 4.55 C ATOM 978 O LEU A 63 11.308 0.790 -18.627 1.00 3.52 O ATOM 979 CB LEU A 63 11.688 -1.915 -17.831 1.00 63.43 C ATOM 980 CG LEU A 63 12.032 -3.387 -17.599 1.00 65.14 C ATOM 981 CD1 LEU A 63 12.355 -3.635 -16.134 1.00 63.32 C ATOM 982 CD2 LEU A 63 10.888 -4.281 -18.054 1.00 54.40 C ATOM 0 H LEU A 63 13.125 -2.408 -19.975 1.00 3.44 H new ATOM 0 HA LEU A 63 10.302 -1.709 -19.460 1.00 51.23 H new ATOM 0 HB2 LEU A 63 12.528 -1.309 -17.493 1.00 63.43 H new ATOM 0 HB3 LEU A 63 10.836 -1.658 -17.202 1.00 63.43 H new ATOM 0 HG LEU A 63 12.914 -3.631 -18.191 1.00 65.14 H new ATOM 0 HD11 LEU A 63 12.597 -4.688 -15.988 1.00 63.32 H new ATOM 0 HD12 LEU A 63 13.207 -3.022 -15.841 1.00 63.32 H new ATOM 0 HD13 LEU A 63 11.492 -3.373 -15.522 1.00 63.32 H new ATOM 0 HD21 LEU A 63 11.151 -5.325 -17.881 1.00 54.40 H new ATOM 0 HD22 LEU A 63 9.988 -4.035 -17.490 1.00 54.40 H new ATOM 0 HD23 LEU A 63 10.704 -4.124 -19.117 1.00 54.40 H new ATOM 994 N ARG A 64 12.226 0.298 -20.622 1.00 30.45 N ATOM 995 CA ARG A 64 12.541 1.684 -20.942 1.00 51.45 C ATOM 996 C ARG A 64 11.315 2.575 -20.765 1.00 11.42 C ATOM 997 O ARG A 64 10.257 2.315 -21.337 1.00 45.10 O ATOM 998 CB ARG A 64 13.060 1.793 -22.377 1.00 72.14 C ATOM 999 CG ARG A 64 12.042 1.375 -23.426 1.00 63.23 C ATOM 1000 CD ARG A 64 12.673 1.276 -24.806 1.00 43.24 C ATOM 1001 NE ARG A 64 13.409 2.487 -25.160 1.00 2.24 N ATOM 1002 CZ ARG A 64 12.830 3.593 -25.614 1.00 71.34 C ATOM 1003 NH1 ARG A 64 11.514 3.640 -25.770 1.00 20.12 N ATOM 1004 NH2 ARG A 64 13.567 4.654 -25.914 1.00 43.42 N ATOM 0 H ARG A 64 12.499 -0.373 -21.340 1.00 30.45 H new ATOM 0 HA ARG A 64 13.317 2.022 -20.255 1.00 51.45 H new ATOM 0 HB2 ARG A 64 13.364 2.822 -22.567 1.00 72.14 H new ATOM 0 HB3 ARG A 64 13.951 1.174 -22.480 1.00 72.14 H new ATOM 0 HG2 ARG A 64 11.610 0.412 -23.152 1.00 63.23 H new ATOM 0 HG3 ARG A 64 11.225 2.096 -23.449 1.00 63.23 H new ATOM 0 HD2 ARG A 64 13.348 0.420 -24.836 1.00 43.24 H new ATOM 0 HD3 ARG A 64 11.895 1.095 -25.548 1.00 43.24 H new ATOM 0 HE ARG A 64 14.423 2.483 -25.053 1.00 2.24 H new ATOM 0 HH11 ARG A 64 10.944 2.826 -25.541 1.00 20.12 H new ATOM 0 HH12 ARG A 64 11.072 4.490 -26.119 1.00 20.12 H new ATOM 0 HH21 ARG A 64 14.580 4.621 -25.796 1.00 43.42 H new ATOM 0 HH22 ARG A 64 13.121 5.503 -26.263 1.00 43.42 H new ATOM 1018 N GLY A 65 11.465 3.628 -19.967 1.00 3.25 N ATOM 1019 CA GLY A 65 10.363 4.541 -19.727 1.00 52.01 C ATOM 1020 C GLY A 65 9.660 4.269 -18.412 1.00 72.21 C ATOM 1021 O GLY A 65 8.907 5.107 -17.918 1.00 52.41 O ATOM 0 H GLY A 65 12.331 3.865 -19.482 1.00 3.25 H new ATOM 0 HA2 GLY A 65 10.736 5.565 -19.731 1.00 52.01 H new ATOM 0 HA3 GLY A 65 9.645 4.461 -20.543 1.00 52.01 H new ATOM 1025 N MET A 66 9.905 3.092 -17.845 1.00 14.25 N ATOM 1026 CA MET A 66 9.288 2.712 -16.579 1.00 24.13 C ATOM 1027 C MET A 66 9.506 3.791 -15.522 1.00 71.34 C ATOM 1028 O MET A 66 10.505 4.510 -15.552 1.00 75.35 O ATOM 1029 CB MET A 66 9.859 1.380 -16.089 1.00 24.31 C ATOM 1030 CG MET A 66 9.143 0.823 -14.870 1.00 33.15 C ATOM 1031 SD MET A 66 9.987 -0.603 -14.158 1.00 42.43 S ATOM 1032 CE MET A 66 9.089 -1.947 -14.928 1.00 73.21 C ATOM 0 H MET A 66 10.525 2.386 -18.241 1.00 14.25 H new ATOM 0 HA MET A 66 8.216 2.601 -16.744 1.00 24.13 H new ATOM 0 HB2 MET A 66 9.803 0.651 -16.897 1.00 24.31 H new ATOM 0 HB3 MET A 66 10.915 1.512 -15.851 1.00 24.31 H new ATOM 0 HG2 MET A 66 9.059 1.604 -14.115 1.00 33.15 H new ATOM 0 HG3 MET A 66 8.128 0.538 -15.148 1.00 33.15 H new ATOM 0 HE1 MET A 66 9.582 -2.892 -14.700 1.00 73.21 H new ATOM 0 HE2 MET A 66 8.069 -1.969 -14.546 1.00 73.21 H new ATOM 0 HE3 MET A 66 9.069 -1.800 -16.008 1.00 73.21 H new ATOM 1042 N SER A 67 8.565 3.898 -14.590 1.00 13.00 N ATOM 1043 CA SER A 67 8.652 4.892 -13.527 1.00 11.13 C ATOM 1044 C SER A 67 9.416 4.339 -12.327 1.00 54.13 C ATOM 1045 O SER A 67 9.954 3.233 -12.375 1.00 23.31 O ATOM 1046 CB SER A 67 7.252 5.332 -13.095 1.00 53.53 C ATOM 1047 OG SER A 67 6.687 4.411 -12.179 1.00 21.03 O ATOM 0 H SER A 67 7.734 3.309 -14.549 1.00 13.00 H new ATOM 0 HA SER A 67 9.193 5.755 -13.914 1.00 11.13 H new ATOM 0 HB2 SER A 67 7.303 6.320 -12.637 1.00 53.53 H new ATOM 0 HB3 SER A 67 6.609 5.420 -13.971 1.00 53.53 H new ATOM 0 HG SER A 67 5.793 4.716 -11.917 1.00 21.03 H new ATOM 1053 N THR A 68 9.458 5.118 -11.251 1.00 22.25 N ATOM 1054 CA THR A 68 10.156 4.708 -10.038 1.00 41.44 C ATOM 1055 C THR A 68 9.300 3.762 -9.204 1.00 43.22 C ATOM 1056 O THR A 68 9.811 2.823 -8.596 1.00 24.41 O ATOM 1057 CB THR A 68 10.546 5.924 -9.177 1.00 10.32 C ATOM 1058 OG1 THR A 68 11.452 6.766 -9.898 1.00 65.34 O ATOM 1059 CG2 THR A 68 11.189 5.479 -7.872 1.00 10.00 C ATOM 0 H THR A 68 9.017 6.036 -11.194 1.00 22.25 H new ATOM 0 HA THR A 68 11.062 4.190 -10.354 1.00 41.44 H new ATOM 0 HB THR A 68 9.639 6.482 -8.945 1.00 10.32 H new ATOM 0 HG1 THR A 68 11.693 7.537 -9.344 1.00 65.34 H new ATOM 0 HG21 THR A 68 11.456 6.355 -7.281 1.00 10.00 H new ATOM 0 HG22 THR A 68 10.486 4.863 -7.311 1.00 10.00 H new ATOM 0 HG23 THR A 68 12.087 4.900 -8.088 1.00 10.00 H new ATOM 1067 N GLU A 69 7.996 4.017 -9.181 1.00 33.41 N ATOM 1068 CA GLU A 69 7.070 3.186 -8.420 1.00 74.13 C ATOM 1069 C GLU A 69 6.880 1.828 -9.091 1.00 2.24 C ATOM 1070 O GLU A 69 6.830 0.796 -8.422 1.00 63.43 O ATOM 1071 CB GLU A 69 5.718 3.889 -8.277 1.00 42.33 C ATOM 1072 CG GLU A 69 5.726 5.023 -7.265 1.00 61.33 C ATOM 1073 CD GLU A 69 4.343 5.333 -6.727 1.00 1.34 C ATOM 1074 OE1 GLU A 69 3.631 6.146 -7.352 1.00 72.12 O ATOM 1075 OE2 GLU A 69 3.973 4.763 -5.679 1.00 24.12 O ATOM 0 H GLU A 69 7.557 4.791 -9.680 1.00 33.41 H new ATOM 0 HA GLU A 69 7.496 3.027 -7.429 1.00 74.13 H new ATOM 0 HB2 GLU A 69 5.418 4.282 -9.248 1.00 42.33 H new ATOM 0 HB3 GLU A 69 4.966 3.156 -7.983 1.00 42.33 H new ATOM 0 HG2 GLU A 69 6.384 4.761 -6.436 1.00 61.33 H new ATOM 0 HG3 GLU A 69 6.140 5.918 -7.730 1.00 61.33 H new ATOM 1082 N SER A 70 6.775 1.838 -10.416 1.00 14.55 N ATOM 1083 CA SER A 70 6.586 0.609 -11.177 1.00 2.21 C ATOM 1084 C SER A 70 7.711 -0.382 -10.895 1.00 63.05 C ATOM 1085 O SER A 70 7.464 -1.544 -10.574 1.00 12.21 O ATOM 1086 CB SER A 70 6.524 0.916 -12.674 1.00 45.34 C ATOM 1087 OG SER A 70 6.354 -0.269 -13.432 1.00 31.45 O ATOM 0 H SER A 70 6.818 2.684 -10.985 1.00 14.55 H new ATOM 0 HA SER A 70 5.643 0.159 -10.867 1.00 2.21 H new ATOM 0 HB2 SER A 70 5.700 1.600 -12.874 1.00 45.34 H new ATOM 0 HB3 SER A 70 7.439 1.421 -12.983 1.00 45.34 H new ATOM 0 HG SER A 70 6.157 -0.036 -14.363 1.00 31.45 H new ATOM 1093 N ALA A 71 8.949 0.086 -11.019 1.00 52.52 N ATOM 1094 CA ALA A 71 10.113 -0.757 -10.777 1.00 13.24 C ATOM 1095 C ALA A 71 10.105 -1.307 -9.354 1.00 61.15 C ATOM 1096 O ALA A 71 10.357 -2.492 -9.135 1.00 1.05 O ATOM 1097 CB ALA A 71 11.393 0.023 -11.036 1.00 0.42 C ATOM 0 H ALA A 71 9.171 1.045 -11.286 1.00 52.52 H new ATOM 0 HA ALA A 71 10.070 -1.601 -11.466 1.00 13.24 H new ATOM 0 HB1 ALA A 71 12.254 -0.619 -10.851 1.00 0.42 H new ATOM 0 HB2 ALA A 71 11.409 0.362 -12.072 1.00 0.42 H new ATOM 0 HB3 ALA A 71 11.434 0.886 -10.371 1.00 0.42 H new ATOM 1103 N LYS A 72 9.815 -0.439 -8.391 1.00 31.51 N ATOM 1104 CA LYS A 72 9.774 -0.838 -6.989 1.00 13.21 C ATOM 1105 C LYS A 72 8.670 -1.863 -6.747 1.00 2.33 C ATOM 1106 O LYS A 72 8.861 -2.831 -6.012 1.00 64.45 O ATOM 1107 CB LYS A 72 9.553 0.385 -6.096 1.00 41.41 C ATOM 1108 CG LYS A 72 10.732 1.343 -6.074 1.00 52.14 C ATOM 1109 CD LYS A 72 10.347 2.688 -5.480 1.00 61.43 C ATOM 1110 CE LYS A 72 11.550 3.394 -4.874 1.00 30.34 C ATOM 1111 NZ LYS A 72 11.312 4.855 -4.711 1.00 33.41 N ATOM 0 H LYS A 72 9.605 0.545 -8.556 1.00 31.51 H new ATOM 0 HA LYS A 72 10.731 -1.295 -6.739 1.00 13.21 H new ATOM 0 HB2 LYS A 72 8.667 0.920 -6.439 1.00 41.41 H new ATOM 0 HB3 LYS A 72 9.349 0.050 -5.079 1.00 41.41 H new ATOM 0 HG2 LYS A 72 11.545 0.907 -5.494 1.00 52.14 H new ATOM 0 HG3 LYS A 72 11.105 1.486 -7.088 1.00 52.14 H new ATOM 0 HD2 LYS A 72 9.907 3.316 -6.254 1.00 61.43 H new ATOM 0 HD3 LYS A 72 9.584 2.544 -4.715 1.00 61.43 H new ATOM 0 HE2 LYS A 72 11.779 2.953 -3.904 1.00 30.34 H new ATOM 0 HE3 LYS A 72 12.421 3.237 -5.510 1.00 30.34 H new ATOM 0 HZ1 LYS A 72 12.084 5.385 -5.163 1.00 33.41 H new ATOM 0 HZ2 LYS A 72 10.408 5.111 -5.157 1.00 33.41 H new ATOM 0 HZ3 LYS A 72 11.277 5.090 -3.699 1.00 33.41 H new ATOM 1125 N GLU A 73 7.517 -1.642 -7.370 1.00 32.30 N ATOM 1126 CA GLU A 73 6.384 -2.548 -7.221 1.00 71.25 C ATOM 1127 C GLU A 73 6.705 -3.921 -7.805 1.00 72.14 C ATOM 1128 O GLU A 73 6.031 -4.907 -7.508 1.00 12.21 O ATOM 1129 CB GLU A 73 5.145 -1.968 -7.906 1.00 51.54 C ATOM 1130 CG GLU A 73 3.897 -2.003 -7.040 1.00 24.23 C ATOM 1131 CD GLU A 73 2.620 -1.913 -7.852 1.00 20.22 C ATOM 1132 OE1 GLU A 73 2.644 -2.294 -9.041 1.00 21.23 O ATOM 1133 OE2 GLU A 73 1.596 -1.462 -7.298 1.00 11.35 O ATOM 0 H GLU A 73 7.343 -0.845 -7.982 1.00 32.30 H new ATOM 0 HA GLU A 73 6.181 -2.663 -6.156 1.00 71.25 H new ATOM 0 HB2 GLU A 73 5.349 -0.936 -8.193 1.00 51.54 H new ATOM 0 HB3 GLU A 73 4.955 -2.523 -8.825 1.00 51.54 H new ATOM 0 HG2 GLU A 73 3.889 -2.925 -6.458 1.00 24.23 H new ATOM 0 HG3 GLU A 73 3.930 -1.178 -6.329 1.00 24.23 H new ATOM 1140 N ALA A 74 7.739 -3.976 -8.639 1.00 34.13 N ATOM 1141 CA ALA A 74 8.150 -5.227 -9.264 1.00 4.04 C ATOM 1142 C ALA A 74 9.159 -5.969 -8.394 1.00 23.13 C ATOM 1143 O ALA A 74 9.248 -7.196 -8.438 1.00 34.31 O ATOM 1144 CB ALA A 74 8.735 -4.961 -10.643 1.00 12.41 C ATOM 0 H ALA A 74 8.307 -3.169 -8.897 1.00 34.13 H new ATOM 0 HA ALA A 74 7.268 -5.858 -9.371 1.00 4.04 H new ATOM 0 HB1 ALA A 74 9.038 -5.904 -11.098 1.00 12.41 H new ATOM 0 HB2 ALA A 74 7.984 -4.480 -11.270 1.00 12.41 H new ATOM 0 HB3 ALA A 74 9.603 -4.308 -10.550 1.00 12.41 H new ATOM 1150 N TYR A 75 9.919 -5.217 -7.605 1.00 33.45 N ATOM 1151 CA TYR A 75 10.924 -5.804 -6.727 1.00 20.25 C ATOM 1152 C TYR A 75 10.269 -6.506 -5.541 1.00 20.12 C ATOM 1153 O TYR A 75 10.877 -7.362 -4.898 1.00 11.25 O ATOM 1154 CB TYR A 75 11.887 -4.726 -6.227 1.00 11.12 C ATOM 1155 CG TYR A 75 13.302 -5.222 -6.029 1.00 54.33 C ATOM 1156 CD1 TYR A 75 13.620 -6.073 -4.978 1.00 13.10 C ATOM 1157 CD2 TYR A 75 14.320 -4.839 -6.893 1.00 2.51 C ATOM 1158 CE1 TYR A 75 14.911 -6.528 -4.793 1.00 11.00 C ATOM 1159 CE2 TYR A 75 15.614 -5.290 -6.716 1.00 52.15 C ATOM 1160 CZ TYR A 75 15.904 -6.134 -5.665 1.00 62.11 C ATOM 1161 OH TYR A 75 17.192 -6.585 -5.485 1.00 51.32 O ATOM 0 H TYR A 75 9.858 -4.200 -7.556 1.00 33.45 H new ATOM 0 HA TYR A 75 11.483 -6.544 -7.300 1.00 20.25 H new ATOM 0 HB2 TYR A 75 11.897 -3.901 -6.939 1.00 11.12 H new ATOM 0 HB3 TYR A 75 11.515 -4.328 -5.283 1.00 11.12 H new ATOM 0 HD1 TYR A 75 12.844 -6.384 -4.294 1.00 13.10 H new ATOM 0 HD2 TYR A 75 14.096 -4.178 -7.717 1.00 2.51 H new ATOM 0 HE1 TYR A 75 15.141 -7.189 -3.970 1.00 11.00 H new ATOM 0 HE2 TYR A 75 16.394 -4.983 -7.397 1.00 52.15 H new ATOM 0 HH TYR A 75 17.811 -5.826 -5.510 1.00 51.32 H new ATOM 1171 N VAL A 76 9.024 -6.138 -5.258 1.00 14.43 N ATOM 1172 CA VAL A 76 8.283 -6.732 -4.151 1.00 44.20 C ATOM 1173 C VAL A 76 7.479 -7.941 -4.614 1.00 64.43 C ATOM 1174 O VAL A 76 7.254 -8.881 -3.851 1.00 15.52 O ATOM 1175 CB VAL A 76 7.328 -5.712 -3.503 1.00 23.02 C ATOM 1176 CG1 VAL A 76 6.739 -6.274 -2.218 1.00 75.13 C ATOM 1177 CG2 VAL A 76 8.051 -4.400 -3.238 1.00 53.30 C ATOM 0 H VAL A 76 8.507 -5.431 -5.780 1.00 14.43 H new ATOM 0 HA VAL A 76 9.019 -7.050 -3.412 1.00 44.20 H new ATOM 0 HB VAL A 76 6.509 -5.516 -4.195 1.00 23.02 H new ATOM 0 HG11 VAL A 76 6.067 -5.540 -1.774 1.00 75.13 H new ATOM 0 HG12 VAL A 76 6.185 -7.186 -2.440 1.00 75.13 H new ATOM 0 HG13 VAL A 76 7.543 -6.500 -1.518 1.00 75.13 H new ATOM 0 HG21 VAL A 76 7.362 -3.691 -2.780 1.00 53.30 H new ATOM 0 HG22 VAL A 76 8.890 -4.576 -2.565 1.00 53.30 H new ATOM 0 HG23 VAL A 76 8.420 -3.991 -4.179 1.00 53.30 H new ATOM 1187 N LYS A 77 7.049 -7.913 -5.871 1.00 42.11 N ATOM 1188 CA LYS A 77 6.271 -9.007 -6.439 1.00 62.41 C ATOM 1189 C LYS A 77 7.186 -10.081 -7.019 1.00 70.34 C ATOM 1190 O LYS A 77 6.913 -11.276 -6.897 1.00 21.22 O ATOM 1191 CB LYS A 77 5.331 -8.482 -7.526 1.00 51.31 C ATOM 1192 CG LYS A 77 4.167 -7.671 -6.983 1.00 52.13 C ATOM 1193 CD LYS A 77 2.941 -7.789 -7.874 1.00 25.31 C ATOM 1194 CE LYS A 77 1.724 -7.139 -7.236 1.00 13.32 C ATOM 1195 NZ LYS A 77 1.658 -5.680 -7.527 1.00 1.34 N ATOM 0 H LYS A 77 7.227 -7.143 -6.516 1.00 42.11 H new ATOM 0 HA LYS A 77 5.679 -9.452 -5.639 1.00 62.41 H new ATOM 0 HB2 LYS A 77 5.901 -7.864 -8.220 1.00 51.31 H new ATOM 0 HB3 LYS A 77 4.941 -9.325 -8.096 1.00 51.31 H new ATOM 0 HG2 LYS A 77 3.922 -8.013 -5.978 1.00 52.13 H new ATOM 0 HG3 LYS A 77 4.459 -6.624 -6.901 1.00 52.13 H new ATOM 0 HD2 LYS A 77 3.143 -7.319 -8.837 1.00 25.31 H new ATOM 0 HD3 LYS A 77 2.732 -8.841 -8.070 1.00 25.31 H new ATOM 0 HE2 LYS A 77 0.819 -7.624 -7.603 1.00 13.32 H new ATOM 0 HE3 LYS A 77 1.753 -7.293 -6.157 1.00 13.32 H new ATOM 0 HZ1 LYS A 77 0.814 -5.274 -7.075 1.00 1.34 H new ATOM 0 HZ2 LYS A 77 2.509 -5.213 -7.155 1.00 1.34 H new ATOM 0 HZ3 LYS A 77 1.604 -5.533 -8.555 1.00 1.34 H new ATOM 1209 N LEU A 78 8.272 -9.649 -7.650 1.00 3.01 N ATOM 1210 CA LEU A 78 9.229 -10.574 -8.248 1.00 11.10 C ATOM 1211 C LEU A 78 10.044 -11.285 -7.173 1.00 34.54 C ATOM 1212 O LEU A 78 10.237 -12.501 -7.227 1.00 51.23 O ATOM 1213 CB LEU A 78 10.163 -9.827 -9.201 1.00 4.41 C ATOM 1214 CG LEU A 78 11.086 -10.696 -10.056 1.00 33.31 C ATOM 1215 CD1 LEU A 78 12.284 -11.163 -9.243 1.00 74.04 C ATOM 1216 CD2 LEU A 78 10.324 -11.887 -10.619 1.00 65.44 C ATOM 0 H LEU A 78 8.512 -8.664 -7.761 1.00 3.01 H new ATOM 0 HA LEU A 78 8.670 -11.323 -8.809 1.00 11.10 H new ATOM 0 HB2 LEU A 78 9.555 -9.214 -9.866 1.00 4.41 H new ATOM 0 HB3 LEU A 78 10.779 -9.146 -8.614 1.00 4.41 H new ATOM 0 HG LEU A 78 11.451 -10.096 -10.889 1.00 33.31 H new ATOM 0 HD11 LEU A 78 12.930 -11.780 -9.868 1.00 74.04 H new ATOM 0 HD12 LEU A 78 12.843 -10.297 -8.888 1.00 74.04 H new ATOM 0 HD13 LEU A 78 11.939 -11.747 -8.390 1.00 74.04 H new ATOM 0 HD21 LEU A 78 10.996 -12.495 -11.225 1.00 65.44 H new ATOM 0 HD22 LEU A 78 9.931 -12.488 -9.799 1.00 65.44 H new ATOM 0 HD23 LEU A 78 9.499 -11.532 -11.237 1.00 65.44 H new ATOM 1228 N LEU A 79 10.517 -10.522 -6.194 1.00 45.45 N ATOM 1229 CA LEU A 79 11.310 -11.079 -5.104 1.00 32.12 C ATOM 1230 C LEU A 79 10.573 -12.232 -4.429 1.00 51.33 C ATOM 1231 O LEU A 79 11.191 -13.106 -3.821 1.00 0.51 O ATOM 1232 CB LEU A 79 11.633 -9.994 -4.075 1.00 52.24 C ATOM 1233 CG LEU A 79 12.403 -10.451 -2.836 1.00 33.40 C ATOM 1234 CD1 LEU A 79 13.620 -11.271 -3.236 1.00 13.11 C ATOM 1235 CD2 LEU A 79 12.817 -9.254 -1.993 1.00 42.03 C ATOM 0 H LEU A 79 10.365 -9.515 -6.133 1.00 45.45 H new ATOM 0 HA LEU A 79 12.240 -11.462 -5.523 1.00 32.12 H new ATOM 0 HB2 LEU A 79 12.211 -9.213 -4.569 1.00 52.24 H new ATOM 0 HB3 LEU A 79 10.697 -9.540 -3.749 1.00 52.24 H new ATOM 0 HG LEU A 79 11.747 -11.082 -2.236 1.00 33.40 H new ATOM 0 HD11 LEU A 79 14.156 -11.588 -2.341 1.00 13.11 H new ATOM 0 HD12 LEU A 79 13.299 -12.149 -3.796 1.00 13.11 H new ATOM 0 HD13 LEU A 79 14.279 -10.665 -3.858 1.00 13.11 H new ATOM 0 HD21 LEU A 79 13.364 -9.599 -1.115 1.00 42.03 H new ATOM 0 HD22 LEU A 79 13.455 -8.597 -2.583 1.00 42.03 H new ATOM 0 HD23 LEU A 79 11.929 -8.708 -1.676 1.00 42.03 H new ATOM 1247 N ASP A 80 9.249 -12.228 -4.543 1.00 64.11 N ATOM 1248 CA ASP A 80 8.428 -13.275 -3.947 1.00 72.21 C ATOM 1249 C ASP A 80 8.774 -14.639 -4.537 1.00 15.10 C ATOM 1250 O ASP A 80 8.455 -15.678 -3.957 1.00 51.32 O ATOM 1251 CB ASP A 80 6.944 -12.974 -4.163 1.00 10.30 C ATOM 1252 CG ASP A 80 6.043 -13.922 -3.396 1.00 0.40 C ATOM 1253 OD1 ASP A 80 6.475 -14.424 -2.338 1.00 11.35 O ATOM 1254 OD2 ASP A 80 4.906 -14.162 -3.855 1.00 4.03 O ATOM 0 H ASP A 80 8.722 -11.512 -5.042 1.00 64.11 H new ATOM 0 HA ASP A 80 8.634 -13.299 -2.877 1.00 72.21 H new ATOM 0 HB2 ASP A 80 6.735 -11.950 -3.854 1.00 10.30 H new ATOM 0 HB3 ASP A 80 6.714 -13.040 -5.226 1.00 10.30 H new ATOM 1259 N THR A 81 9.427 -14.629 -5.695 1.00 31.02 N ATOM 1260 CA THR A 81 9.814 -15.864 -6.365 1.00 31.14 C ATOM 1261 C THR A 81 11.208 -16.309 -5.936 1.00 54.41 C ATOM 1262 O THR A 81 11.529 -17.497 -5.968 1.00 34.50 O ATOM 1263 CB THR A 81 9.787 -15.705 -7.896 1.00 54.25 C ATOM 1264 OG1 THR A 81 9.650 -16.987 -8.520 1.00 12.40 O ATOM 1265 CG2 THR A 81 11.055 -15.027 -8.393 1.00 13.43 C ATOM 0 H THR A 81 9.699 -13.779 -6.188 1.00 31.02 H new ATOM 0 HA THR A 81 9.088 -16.622 -6.073 1.00 31.14 H new ATOM 0 HB THR A 81 8.933 -15.080 -8.158 1.00 54.25 H new ATOM 0 HG1 THR A 81 9.632 -16.877 -9.494 1.00 12.40 H new ATOM 0 HG21 THR A 81 11.012 -14.926 -9.477 1.00 13.43 H new ATOM 0 HG22 THR A 81 11.141 -14.040 -7.940 1.00 13.43 H new ATOM 0 HG23 THR A 81 11.921 -15.629 -8.118 1.00 13.43 H new ATOM 1273 N LEU A 82 12.032 -15.348 -5.535 1.00 5.24 N ATOM 1274 CA LEU A 82 13.393 -15.641 -5.098 1.00 43.42 C ATOM 1275 C LEU A 82 13.422 -16.019 -3.621 1.00 11.53 C ATOM 1276 O LEU A 82 13.896 -17.093 -3.254 1.00 30.32 O ATOM 1277 CB LEU A 82 14.300 -14.434 -5.345 1.00 40.33 C ATOM 1278 CG LEU A 82 14.425 -13.975 -6.798 1.00 44.35 C ATOM 1279 CD1 LEU A 82 14.162 -12.481 -6.911 1.00 71.22 C ATOM 1280 CD2 LEU A 82 15.802 -14.318 -7.349 1.00 73.45 C ATOM 0 H LEU A 82 11.782 -14.360 -5.503 1.00 5.24 H new ATOM 0 HA LEU A 82 13.759 -16.488 -5.678 1.00 43.42 H new ATOM 0 HB2 LEU A 82 13.929 -13.598 -4.752 1.00 40.33 H new ATOM 0 HB3 LEU A 82 15.297 -14.671 -4.973 1.00 40.33 H new ATOM 0 HG LEU A 82 13.676 -14.501 -7.390 1.00 44.35 H new ATOM 0 HD11 LEU A 82 14.256 -12.173 -7.952 1.00 71.22 H new ATOM 0 HD12 LEU A 82 13.155 -12.261 -6.556 1.00 71.22 H new ATOM 0 HD13 LEU A 82 14.887 -11.937 -6.305 1.00 71.22 H new ATOM 0 HD21 LEU A 82 15.873 -13.984 -8.384 1.00 73.45 H new ATOM 0 HD22 LEU A 82 16.567 -13.819 -6.753 1.00 73.45 H new ATOM 0 HD23 LEU A 82 15.953 -15.397 -7.304 1.00 73.45 H new ATOM 1292 N ALA A 83 12.909 -15.128 -2.778 1.00 25.25 N ATOM 1293 CA ALA A 83 12.872 -15.370 -1.341 1.00 24.14 C ATOM 1294 C ALA A 83 11.569 -14.864 -0.732 1.00 73.43 C ATOM 1295 O ALA A 83 11.492 -13.756 -0.201 1.00 23.42 O ATOM 1296 CB ALA A 83 14.064 -14.710 -0.663 1.00 42.13 C ATOM 0 H ALA A 83 12.514 -14.233 -3.066 1.00 25.25 H new ATOM 0 HA ALA A 83 12.925 -16.446 -1.178 1.00 24.14 H new ATOM 0 HB1 ALA A 83 14.023 -14.899 0.410 1.00 42.13 H new ATOM 0 HB2 ALA A 83 14.988 -15.122 -1.069 1.00 42.13 H new ATOM 0 HB3 ALA A 83 14.036 -13.635 -0.843 1.00 42.13 H new ATOM 1302 N PRO A 84 10.517 -15.693 -0.811 1.00 62.41 N ATOM 1303 CA PRO A 84 9.197 -15.351 -0.273 1.00 42.04 C ATOM 1304 C PRO A 84 9.183 -15.319 1.251 1.00 34.41 C ATOM 1305 O PRO A 84 8.185 -14.941 1.864 1.00 15.20 O ATOM 1306 CB PRO A 84 8.299 -16.476 -0.794 1.00 25.44 C ATOM 1307 CG PRO A 84 9.221 -17.626 -1.012 1.00 23.24 C ATOM 1308 CD PRO A 84 10.536 -17.029 -1.431 1.00 22.13 C ATOM 0 HA PRO A 84 8.877 -14.355 -0.580 1.00 42.04 H new ATOM 0 HB2 PRO A 84 7.519 -16.725 -0.075 1.00 25.44 H new ATOM 0 HB3 PRO A 84 7.800 -16.188 -1.719 1.00 25.44 H new ATOM 0 HG2 PRO A 84 9.332 -18.215 -0.102 1.00 23.24 H new ATOM 0 HG3 PRO A 84 8.834 -18.296 -1.780 1.00 23.24 H new ATOM 0 HD2 PRO A 84 11.378 -17.624 -1.078 1.00 22.13 H new ATOM 0 HD3 PRO A 84 10.622 -16.967 -2.516 1.00 22.13 H new ATOM 1316 N SER A 85 10.296 -15.719 1.857 1.00 32.34 N ATOM 1317 CA SER A 85 10.409 -15.740 3.311 1.00 4.20 C ATOM 1318 C SER A 85 10.547 -14.325 3.865 1.00 14.02 C ATOM 1319 O SER A 85 10.530 -14.118 5.079 1.00 44.14 O ATOM 1320 CB SER A 85 11.611 -16.586 3.738 1.00 55.30 C ATOM 1321 OG SER A 85 11.658 -16.729 5.147 1.00 61.51 O ATOM 0 H SER A 85 11.132 -16.033 1.364 1.00 32.34 H new ATOM 0 HA SER A 85 9.499 -16.183 3.715 1.00 4.20 H new ATOM 0 HB2 SER A 85 11.552 -17.569 3.271 1.00 55.30 H new ATOM 0 HB3 SER A 85 12.531 -16.120 3.385 1.00 55.30 H new ATOM 0 HG SER A 85 11.305 -15.919 5.570 1.00 61.51 H new ATOM 1327 N TRP A 86 10.682 -13.356 2.968 1.00 53.34 N ATOM 1328 CA TRP A 86 10.822 -11.960 3.366 1.00 51.42 C ATOM 1329 C TRP A 86 9.460 -11.332 3.640 1.00 33.21 C ATOM 1330 O TRP A 86 9.352 -10.367 4.396 1.00 13.40 O ATOM 1331 CB TRP A 86 11.552 -11.169 2.279 1.00 10.30 C ATOM 1332 CG TRP A 86 10.647 -10.685 1.187 1.00 73.33 C ATOM 1333 CD1 TRP A 86 9.847 -11.450 0.386 1.00 25.30 C ATOM 1334 CD2 TRP A 86 10.450 -9.328 0.774 1.00 20.44 C ATOM 1335 NE1 TRP A 86 9.166 -10.651 -0.499 1.00 53.43 N ATOM 1336 CE2 TRP A 86 9.517 -9.345 -0.281 1.00 1.20 C ATOM 1337 CE3 TRP A 86 10.969 -8.101 1.195 1.00 23.22 C ATOM 1338 CZ2 TRP A 86 9.096 -8.182 -0.920 1.00 12.43 C ATOM 1339 CZ3 TRP A 86 10.550 -6.948 0.560 1.00 44.31 C ATOM 1340 CH2 TRP A 86 9.621 -6.994 -0.487 1.00 73.14 C ATOM 0 H TRP A 86 10.698 -13.511 1.960 1.00 53.34 H new ATOM 0 HA TRP A 86 11.407 -11.928 4.285 1.00 51.42 H new ATOM 0 HB2 TRP A 86 12.049 -10.313 2.735 1.00 10.30 H new ATOM 0 HB3 TRP A 86 12.331 -11.796 1.845 1.00 10.30 H new ATOM 0 HD1 TRP A 86 9.763 -12.525 0.441 1.00 25.30 H new ATOM 0 HE1 TRP A 86 8.506 -10.977 -1.205 1.00 53.43 H new ATOM 0 HE3 TRP A 86 11.685 -8.055 2.002 1.00 23.22 H new ATOM 0 HZ2 TRP A 86 8.381 -8.216 -1.728 1.00 12.43 H new ATOM 0 HZ3 TRP A 86 10.946 -5.994 0.877 1.00 44.31 H new ATOM 0 HH2 TRP A 86 9.313 -6.074 -0.962 1.00 73.14 H new ATOM 1351 N ARG A 87 8.422 -11.887 3.022 1.00 42.24 N ATOM 1352 CA ARG A 87 7.067 -11.380 3.199 1.00 12.01 C ATOM 1353 C ARG A 87 6.302 -12.220 4.218 1.00 55.52 C ATOM 1354 O ARG A 87 5.359 -11.742 4.848 1.00 3.40 O ATOM 1355 CB ARG A 87 6.322 -11.376 1.863 1.00 71.11 C ATOM 1356 CG ARG A 87 6.351 -12.716 1.145 1.00 1.25 C ATOM 1357 CD ARG A 87 5.329 -12.768 0.021 1.00 40.23 C ATOM 1358 NE ARG A 87 5.578 -11.746 -0.993 1.00 63.50 N ATOM 1359 CZ ARG A 87 4.702 -11.416 -1.935 1.00 34.42 C ATOM 1360 NH1 ARG A 87 3.524 -12.024 -1.991 1.00 43.34 N ATOM 1361 NH2 ARG A 87 5.002 -10.477 -2.822 1.00 54.42 N ATOM 0 H ARG A 87 8.494 -12.688 2.394 1.00 42.24 H new ATOM 0 HA ARG A 87 7.134 -10.358 3.572 1.00 12.01 H new ATOM 0 HB2 ARG A 87 5.285 -11.088 2.036 1.00 71.11 H new ATOM 0 HB3 ARG A 87 6.760 -10.617 1.215 1.00 71.11 H new ATOM 0 HG2 ARG A 87 7.348 -12.892 0.740 1.00 1.25 H new ATOM 0 HG3 ARG A 87 6.151 -13.516 1.858 1.00 1.25 H new ATOM 0 HD2 ARG A 87 5.352 -13.753 -0.444 1.00 40.23 H new ATOM 0 HD3 ARG A 87 4.329 -12.633 0.434 1.00 40.23 H new ATOM 0 HE ARG A 87 6.474 -11.259 -0.976 1.00 63.50 H new ATOM 0 HH11 ARG A 87 3.290 -12.746 -1.310 1.00 43.34 H new ATOM 0 HH12 ARG A 87 2.852 -11.769 -2.715 1.00 43.34 H new ATOM 0 HH21 ARG A 87 5.906 -10.007 -2.781 1.00 54.42 H new ATOM 0 HH22 ARG A 87 4.328 -10.225 -3.545 1.00 54.42 H new ATOM 1375 N ASN A 88 6.714 -13.474 4.373 1.00 52.52 N ATOM 1376 CA ASN A 88 6.066 -14.380 5.314 1.00 25.10 C ATOM 1377 C ASN A 88 6.475 -14.058 6.748 1.00 12.22 C ATOM 1378 O ASN A 88 7.561 -14.429 7.193 1.00 74.31 O ATOM 1379 CB ASN A 88 6.423 -15.831 4.984 1.00 1.01 C ATOM 1380 CG ASN A 88 5.532 -16.414 3.904 1.00 21.24 C ATOM 1381 OD1 ASN A 88 4.329 -16.587 4.103 1.00 64.21 O ATOM 1382 ND2 ASN A 88 6.120 -16.721 2.754 1.00 41.41 N ATOM 0 H ASN A 88 7.493 -13.886 3.859 1.00 52.52 H new ATOM 0 HA ASN A 88 4.988 -14.248 5.224 1.00 25.10 H new ATOM 0 HB2 ASN A 88 7.463 -15.882 4.660 1.00 1.01 H new ATOM 0 HB3 ASN A 88 6.340 -16.437 5.886 1.00 1.01 H new ATOM 0 HD21 ASN A 88 5.572 -17.117 1.991 1.00 41.41 H new ATOM 0 HD22 ASN A 88 7.120 -16.560 2.634 1.00 41.41 H new TER 1389 ASN A 88