USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 675 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 Single : A 2 SER OG : rot 180:sc= -0.178 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=-0.034) 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 -25:sc= 0.144 USER MOD Single : A 19 MET CE :methyl -128:sc= -0.978 (180deg=-4.83!) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.8!) USER MOD Single : A 26 LYS NZ :NH3+ 161:sc= -0.107 (180deg=-0.653) USER MOD Single : A 28 CYS SG : rot 50:sc= 1.11 USER MOD Single : A 30 TYR OH : rot -35:sc= 1.23 USER MOD Single : A 31 LYS NZ :NH3+ -141:sc= -0.72 (180deg=-3.53!) 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+ -130:sc= 1.75 (180deg=-0.306) USER MOD Single : A 35 GLN :FLIP amide:sc= -2.82 F(o=-4.3,f=-2.8) USER MOD Single : A 37 THR OG1 : rot 128:sc= 1.23 USER MOD Single : A 41 CYS SG : rot 75:sc= 0.973 USER MOD Single : A 42 ASN : amide:sc= -0.86 K(o=-0.86,f=-1.7) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= -0.146 (180deg=-0.245) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1.48 K(o=-1.5,f=-4!) USER MOD Single : A 52 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.01) USER MOD Single : A 54 LYS NZ :NH3+ 160:sc= -0.0828 (180deg=-0.51) 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= -1.52 X(o=-1.5,f=-1.8!) USER MOD Single : A 66 MET CE :methyl -170:sc= -3.65! (180deg=-3.97!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.119) USER MOD Single : A 75 TYR OH : rot -140:sc= -0.113 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 -27:sc= 0.462 USER MOD Single : A 88 ASN :FLIP amide:sc= -0.0429 F(o=-0.67,f=-0.043) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 4.141 -1.224 -1.465 1.00 71.30 N ATOM 19 CA SER A 2 5.278 -2.009 -1.931 1.00 71.42 C ATOM 20 C SER A 2 6.347 -1.108 -2.541 1.00 52.05 C ATOM 21 O SER A 2 7.526 -1.460 -2.576 1.00 15.14 O ATOM 22 CB SER A 2 4.821 -3.046 -2.959 1.00 64.42 C ATOM 23 OG SER A 2 4.332 -4.214 -2.323 1.00 31.12 O ATOM 0 HA SER A 2 5.709 -2.524 -1.072 1.00 71.42 H new ATOM 0 HB2 SER A 2 4.042 -2.618 -3.590 1.00 64.42 H new ATOM 0 HB3 SER A 2 5.654 -3.306 -3.613 1.00 64.42 H new ATOM 0 HG SER A 2 4.045 -4.860 -3.002 1.00 31.12 H new ATOM 29 N ALA A 3 5.925 0.057 -3.023 1.00 23.14 N ATOM 30 CA ALA A 3 6.845 1.010 -3.630 1.00 3.50 C ATOM 31 C ALA A 3 7.800 1.590 -2.592 1.00 12.14 C ATOM 32 O ALA A 3 8.923 1.977 -2.915 1.00 1.04 O ATOM 33 CB ALA A 3 6.072 2.125 -4.319 1.00 33.12 C ATOM 0 H ALA A 3 4.952 0.363 -3.005 1.00 23.14 H new ATOM 0 HA ALA A 3 7.438 0.479 -4.375 1.00 3.50 H new ATOM 0 HB1 ALA A 3 6.772 2.830 -4.768 1.00 33.12 H new ATOM 0 HB2 ALA A 3 5.436 1.701 -5.096 1.00 33.12 H new ATOM 0 HB3 ALA A 3 5.453 2.645 -3.587 1.00 33.12 H new ATOM 39 N ASP A 4 7.346 1.648 -1.345 1.00 33.15 N ATOM 40 CA ASP A 4 8.160 2.180 -0.258 1.00 51.32 C ATOM 41 C ASP A 4 8.907 1.061 0.460 1.00 65.13 C ATOM 42 O ASP A 4 9.948 1.292 1.076 1.00 60.41 O ATOM 43 CB ASP A 4 7.285 2.945 0.736 1.00 52.31 C ATOM 44 CG ASP A 4 8.046 4.045 1.450 1.00 14.11 C ATOM 45 OD1 ASP A 4 8.468 5.008 0.776 1.00 32.23 O ATOM 46 OD2 ASP A 4 8.220 3.943 2.683 1.00 75.23 O ATOM 0 H ASP A 4 6.418 1.333 -1.061 1.00 33.15 H new ATOM 0 HA ASP A 4 8.892 2.864 -0.687 1.00 51.32 H new ATOM 0 HB2 ASP A 4 6.435 3.378 0.209 1.00 52.31 H new ATOM 0 HB3 ASP A 4 6.882 2.249 1.472 1.00 52.31 H new ATOM 51 N ASP A 5 8.370 -0.151 0.376 1.00 14.23 N ATOM 52 CA ASP A 5 8.986 -1.307 1.018 1.00 55.51 C ATOM 53 C ASP A 5 10.117 -1.865 0.161 1.00 60.13 C ATOM 54 O ASP A 5 10.824 -2.786 0.571 1.00 43.32 O ATOM 55 CB ASP A 5 7.939 -2.392 1.274 1.00 62.40 C ATOM 56 CG ASP A 5 6.916 -1.977 2.313 1.00 60.03 C ATOM 57 OD1 ASP A 5 7.323 -1.641 3.444 1.00 12.23 O ATOM 58 OD2 ASP A 5 5.708 -1.989 1.994 1.00 3.03 O ATOM 0 H ASP A 5 7.509 -0.359 -0.130 1.00 14.23 H new ATOM 0 HA ASP A 5 9.403 -0.984 1.972 1.00 55.51 H new ATOM 0 HB2 ASP A 5 7.429 -2.628 0.340 1.00 62.40 H new ATOM 0 HB3 ASP A 5 8.438 -3.303 1.604 1.00 62.40 H new ATOM 63 N PHE A 6 10.282 -1.303 -1.032 1.00 52.21 N ATOM 64 CA PHE A 6 11.326 -1.746 -1.948 1.00 40.14 C ATOM 65 C PHE A 6 12.683 -1.778 -1.252 1.00 3.11 C ATOM 66 O PHE A 6 13.543 -2.595 -1.581 1.00 71.41 O ATOM 67 CB PHE A 6 11.388 -0.825 -3.169 1.00 11.34 C ATOM 68 CG PHE A 6 12.081 0.481 -2.900 1.00 32.53 C ATOM 69 CD1 PHE A 6 11.582 1.364 -1.956 1.00 34.51 C ATOM 70 CD2 PHE A 6 13.231 0.825 -3.591 1.00 62.42 C ATOM 71 CE1 PHE A 6 12.217 2.565 -1.706 1.00 10.33 C ATOM 72 CE2 PHE A 6 13.871 2.025 -3.345 1.00 60.30 C ATOM 73 CZ PHE A 6 13.363 2.897 -2.402 1.00 73.41 C ATOM 0 H PHE A 6 9.706 -0.540 -1.387 1.00 52.21 H new ATOM 0 HA PHE A 6 11.082 -2.756 -2.276 1.00 40.14 H new ATOM 0 HB2 PHE A 6 11.905 -1.342 -3.978 1.00 11.34 H new ATOM 0 HB3 PHE A 6 10.374 -0.625 -3.515 1.00 11.34 H new ATOM 0 HD1 PHE A 6 10.686 1.110 -1.409 1.00 34.51 H new ATOM 0 HD2 PHE A 6 13.632 0.148 -4.330 1.00 62.42 H new ATOM 0 HE1 PHE A 6 11.818 3.244 -0.967 1.00 10.33 H new ATOM 0 HE2 PHE A 6 14.768 2.281 -3.890 1.00 60.30 H new ATOM 0 HZ PHE A 6 13.861 3.836 -2.209 1.00 73.41 H new ATOM 83 N ASP A 7 12.868 -0.882 -0.288 1.00 61.33 N ATOM 84 CA ASP A 7 14.120 -0.807 0.456 1.00 71.21 C ATOM 85 C ASP A 7 14.434 -2.141 1.127 1.00 42.23 C ATOM 86 O ASP A 7 15.573 -2.607 1.101 1.00 51.32 O ATOM 87 CB ASP A 7 14.048 0.302 1.507 1.00 74.23 C ATOM 88 CG ASP A 7 14.640 1.607 1.013 1.00 61.14 C ATOM 89 OD1 ASP A 7 15.783 1.587 0.508 1.00 14.02 O ATOM 90 OD2 ASP A 7 13.961 2.648 1.130 1.00 51.15 O ATOM 0 H ASP A 7 12.167 -0.198 -0.004 1.00 61.33 H new ATOM 0 HA ASP A 7 14.920 -0.578 -0.249 1.00 71.21 H new ATOM 0 HB2 ASP A 7 13.008 0.463 1.791 1.00 74.23 H new ATOM 0 HB3 ASP A 7 14.578 -0.017 2.405 1.00 74.23 H new ATOM 95 N ALA A 8 13.417 -2.749 1.728 1.00 70.33 N ATOM 96 CA ALA A 8 13.584 -4.029 2.405 1.00 65.34 C ATOM 97 C ALA A 8 13.718 -5.168 1.400 1.00 61.44 C ATOM 98 O ALA A 8 14.061 -6.293 1.764 1.00 54.13 O ATOM 99 CB ALA A 8 12.416 -4.286 3.344 1.00 32.43 C ATOM 0 H ALA A 8 12.468 -2.376 1.760 1.00 70.33 H new ATOM 0 HA ALA A 8 14.503 -3.985 2.990 1.00 65.34 H new ATOM 0 HB1 ALA A 8 12.554 -5.245 3.843 1.00 32.43 H new ATOM 0 HB2 ALA A 8 12.368 -3.493 4.090 1.00 32.43 H new ATOM 0 HB3 ALA A 8 11.488 -4.304 2.773 1.00 32.43 H new ATOM 105 N ALA A 9 13.445 -4.870 0.134 1.00 51.42 N ATOM 106 CA ALA A 9 13.536 -5.869 -0.924 1.00 1.52 C ATOM 107 C ALA A 9 14.915 -5.854 -1.575 1.00 72.21 C ATOM 108 O ALA A 9 15.409 -6.886 -2.029 1.00 72.41 O ATOM 109 CB ALA A 9 12.455 -5.632 -1.968 1.00 34.34 C ATOM 0 H ALA A 9 13.159 -3.944 -0.184 1.00 51.42 H new ATOM 0 HA ALA A 9 13.384 -6.851 -0.477 1.00 1.52 H new ATOM 0 HB1 ALA A 9 12.535 -6.385 -2.752 1.00 34.34 H new ATOM 0 HB2 ALA A 9 11.474 -5.700 -1.498 1.00 34.34 H new ATOM 0 HB3 ALA A 9 12.581 -4.641 -2.403 1.00 34.34 H new ATOM 115 N VAL A 10 15.532 -4.677 -1.618 1.00 74.54 N ATOM 116 CA VAL A 10 16.854 -4.529 -2.214 1.00 41.01 C ATOM 117 C VAL A 10 17.941 -5.030 -1.270 1.00 44.12 C ATOM 118 O VAL A 10 19.012 -5.453 -1.707 1.00 1.21 O ATOM 119 CB VAL A 10 17.143 -3.061 -2.580 1.00 23.03 C ATOM 120 CG1 VAL A 10 18.506 -2.934 -3.243 1.00 24.32 C ATOM 121 CG2 VAL A 10 16.049 -2.512 -3.482 1.00 40.34 C ATOM 0 H VAL A 10 15.137 -3.813 -1.247 1.00 74.54 H new ATOM 0 HA VAL A 10 16.861 -5.130 -3.123 1.00 41.01 H new ATOM 0 HB VAL A 10 17.156 -2.472 -1.663 1.00 23.03 H new ATOM 0 HG11 VAL A 10 18.692 -1.890 -3.494 1.00 24.32 H new ATOM 0 HG12 VAL A 10 19.278 -3.286 -2.558 1.00 24.32 H new ATOM 0 HG13 VAL A 10 18.526 -3.535 -4.152 1.00 24.32 H new ATOM 0 HG21 VAL A 10 16.269 -1.474 -3.731 1.00 40.34 H new ATOM 0 HG22 VAL A 10 16.002 -3.102 -4.397 1.00 40.34 H new ATOM 0 HG23 VAL A 10 15.091 -2.566 -2.966 1.00 40.34 H new ATOM 131 N LYS A 11 17.660 -4.980 0.027 1.00 33.23 N ATOM 132 CA LYS A 11 18.612 -5.430 1.035 1.00 21.54 C ATOM 133 C LYS A 11 18.717 -6.952 1.043 1.00 23.13 C ATOM 134 O LYS A 11 19.816 -7.508 1.039 1.00 71.13 O ATOM 135 CB LYS A 11 18.195 -4.930 2.420 1.00 20.22 C ATOM 136 CG LYS A 11 16.765 -5.285 2.790 1.00 42.02 C ATOM 137 CD LYS A 11 16.710 -6.492 3.712 1.00 45.43 C ATOM 138 CE LYS A 11 16.281 -6.100 5.117 1.00 35.22 C ATOM 139 NZ LYS A 11 15.553 -7.204 5.802 1.00 33.12 N ATOM 0 H LYS A 11 16.779 -4.632 0.405 1.00 33.23 H new ATOM 0 HA LYS A 11 19.589 -5.017 0.785 1.00 21.54 H new ATOM 0 HB2 LYS A 11 18.869 -5.349 3.167 1.00 20.22 H new ATOM 0 HB3 LYS A 11 18.313 -3.847 2.457 1.00 20.22 H new ATOM 0 HG2 LYS A 11 16.292 -4.432 3.277 1.00 42.02 H new ATOM 0 HG3 LYS A 11 16.195 -5.492 1.884 1.00 42.02 H new ATOM 0 HD2 LYS A 11 16.013 -7.227 3.309 1.00 45.43 H new ATOM 0 HD3 LYS A 11 17.690 -6.968 3.749 1.00 45.43 H new ATOM 0 HE2 LYS A 11 17.159 -5.826 5.702 1.00 35.22 H new ATOM 0 HE3 LYS A 11 15.642 -5.218 5.069 1.00 35.22 H new ATOM 0 HZ1 LYS A 11 15.277 -6.898 6.757 1.00 33.12 H new ATOM 0 HZ2 LYS A 11 14.701 -7.449 5.257 1.00 33.12 H new ATOM 0 HZ3 LYS A 11 16.171 -8.037 5.871 1.00 33.12 H new ATOM 153 N TYR A 12 17.569 -7.620 1.054 1.00 41.22 N ATOM 154 CA TYR A 12 17.533 -9.077 1.063 1.00 35.41 C ATOM 155 C TYR A 12 18.170 -9.646 -0.201 1.00 33.41 C ATOM 156 O TYR A 12 18.642 -10.783 -0.215 1.00 33.43 O ATOM 157 CB TYR A 12 16.090 -9.571 1.188 1.00 63.55 C ATOM 158 CG TYR A 12 15.974 -10.956 1.784 1.00 71.12 C ATOM 159 CD1 TYR A 12 16.322 -12.082 1.048 1.00 32.34 C ATOM 160 CD2 TYR A 12 15.517 -11.138 3.083 1.00 13.23 C ATOM 161 CE1 TYR A 12 16.216 -13.349 1.589 1.00 22.10 C ATOM 162 CE2 TYR A 12 15.409 -12.401 3.633 1.00 43.23 C ATOM 163 CZ TYR A 12 15.760 -13.503 2.881 1.00 33.24 C ATOM 164 OH TYR A 12 15.654 -14.763 3.424 1.00 25.41 O ATOM 0 H TYR A 12 16.651 -7.175 1.057 1.00 41.22 H new ATOM 0 HA TYR A 12 18.105 -9.424 1.923 1.00 35.41 H new ATOM 0 HB2 TYR A 12 15.527 -8.871 1.805 1.00 63.55 H new ATOM 0 HB3 TYR A 12 15.627 -9.569 0.201 1.00 63.55 H new ATOM 0 HD1 TYR A 12 16.681 -11.965 0.036 1.00 32.34 H new ATOM 0 HD2 TYR A 12 15.241 -10.277 3.674 1.00 13.23 H new ATOM 0 HE1 TYR A 12 16.489 -14.214 1.003 1.00 22.10 H new ATOM 0 HE2 TYR A 12 15.052 -12.525 4.645 1.00 43.23 H new ATOM 0 HH TYR A 12 15.318 -14.696 4.342 1.00 25.41 H new ATOM 174 N VAL A 13 18.180 -8.846 -1.262 1.00 71.33 N ATOM 175 CA VAL A 13 18.760 -9.268 -2.532 1.00 3.42 C ATOM 176 C VAL A 13 20.215 -8.826 -2.644 1.00 61.24 C ATOM 177 O VAL A 13 21.035 -9.507 -3.261 1.00 1.24 O ATOM 178 CB VAL A 13 17.969 -8.701 -3.726 1.00 25.01 C ATOM 179 CG1 VAL A 13 18.739 -8.907 -5.022 1.00 11.51 C ATOM 180 CG2 VAL A 13 16.593 -9.344 -3.806 1.00 10.41 C ATOM 0 H VAL A 13 17.793 -7.902 -1.268 1.00 71.33 H new ATOM 0 HA VAL A 13 18.710 -10.357 -2.557 1.00 3.42 H new ATOM 0 HB VAL A 13 17.836 -7.630 -3.576 1.00 25.01 H new ATOM 0 HG11 VAL A 13 18.165 -8.500 -5.855 1.00 11.51 H new ATOM 0 HG12 VAL A 13 19.700 -8.396 -4.960 1.00 11.51 H new ATOM 0 HG13 VAL A 13 18.905 -9.972 -5.181 1.00 11.51 H new ATOM 0 HG21 VAL A 13 16.048 -8.932 -4.655 1.00 10.41 H new ATOM 0 HG22 VAL A 13 16.702 -10.421 -3.933 1.00 10.41 H new ATOM 0 HG23 VAL A 13 16.042 -9.140 -2.888 1.00 10.41 H new ATOM 190 N SER A 14 20.529 -7.682 -2.044 1.00 71.44 N ATOM 191 CA SER A 14 21.885 -7.148 -2.080 1.00 1.52 C ATOM 192 C SER A 14 22.794 -7.908 -1.119 1.00 1.31 C ATOM 193 O SER A 14 23.962 -8.155 -1.417 1.00 33.13 O ATOM 194 CB SER A 14 21.879 -5.660 -1.724 1.00 55.42 C ATOM 195 OG SER A 14 23.197 -5.143 -1.670 1.00 12.54 O ATOM 0 H SER A 14 19.863 -7.108 -1.527 1.00 71.44 H new ATOM 0 HA SER A 14 22.271 -7.271 -3.092 1.00 1.52 H new ATOM 0 HB2 SER A 14 21.299 -5.108 -2.464 1.00 55.42 H new ATOM 0 HB3 SER A 14 21.389 -5.515 -0.761 1.00 55.42 H new ATOM 0 HG SER A 14 23.166 -4.190 -1.442 1.00 12.54 H new ATOM 201 N ASN A 15 22.248 -8.275 0.036 1.00 25.30 N ATOM 202 CA ASN A 15 23.009 -9.007 1.042 1.00 4.13 C ATOM 203 C ASN A 15 22.912 -10.512 0.810 1.00 10.33 C ATOM 204 O ASN A 15 23.918 -11.222 0.835 1.00 52.12 O ATOM 205 CB ASN A 15 22.504 -8.662 2.445 1.00 51.04 C ATOM 206 CG ASN A 15 22.436 -7.166 2.683 1.00 3.10 C ATOM 207 OD1 ASN A 15 23.390 -6.438 2.406 1.00 72.25 O ATOM 208 ND2 ASN A 15 21.306 -6.700 3.200 1.00 14.23 N ATOM 0 H ASN A 15 21.282 -8.078 0.298 1.00 25.30 H new ATOM 0 HA ASN A 15 24.055 -8.711 0.956 1.00 4.13 H new ATOM 0 HB2 ASN A 15 21.514 -9.095 2.589 1.00 51.04 H new ATOM 0 HB3 ASN A 15 23.161 -9.116 3.187 1.00 51.04 H new ATOM 0 HD21 ASN A 15 21.202 -5.702 3.383 1.00 14.23 H new ATOM 0 HD22 ASN A 15 20.541 -7.340 3.414 1.00 14.23 H new ATOM 215 N THR A 16 21.693 -10.993 0.584 1.00 3.53 N ATOM 216 CA THR A 16 21.463 -12.412 0.348 1.00 24.23 C ATOM 217 C THR A 16 21.195 -12.688 -1.127 1.00 11.03 C ATOM 218 O THR A 16 20.265 -12.133 -1.714 1.00 63.41 O ATOM 219 CB THR A 16 20.278 -12.935 1.181 1.00 74.32 C ATOM 220 OG1 THR A 16 20.744 -13.427 2.442 1.00 13.34 O ATOM 221 CG2 THR A 16 19.543 -14.042 0.440 1.00 73.21 C ATOM 0 H THR A 16 20.850 -10.420 0.560 1.00 3.53 H new ATOM 0 HA THR A 16 22.370 -12.934 0.653 1.00 24.23 H new ATOM 0 HB THR A 16 19.587 -12.109 1.347 1.00 74.32 H new ATOM 0 HG1 THR A 16 19.984 -13.756 2.966 1.00 13.34 H new ATOM 0 HG21 THR A 16 18.710 -14.396 1.048 1.00 73.21 H new ATOM 0 HG22 THR A 16 19.164 -13.657 -0.506 1.00 73.21 H new ATOM 0 HG23 THR A 16 20.228 -14.868 0.247 1.00 73.21 H new ATOM 229 N THR A 17 22.014 -13.549 -1.722 1.00 23.42 N ATOM 230 CA THR A 17 21.865 -13.899 -3.129 1.00 4.41 C ATOM 231 C THR A 17 22.119 -15.384 -3.356 1.00 71.44 C ATOM 232 O THR A 17 22.277 -15.832 -4.493 1.00 0.50 O ATOM 233 CB THR A 17 22.827 -13.084 -4.015 1.00 12.23 C ATOM 234 OG1 THR A 17 23.944 -12.634 -3.240 1.00 51.22 O ATOM 235 CG2 THR A 17 22.115 -11.888 -4.629 1.00 75.30 C ATOM 0 H THR A 17 22.788 -14.017 -1.251 1.00 23.42 H new ATOM 0 HA THR A 17 20.838 -13.662 -3.407 1.00 4.41 H new ATOM 0 HB THR A 17 23.180 -13.729 -4.820 1.00 12.23 H new ATOM 0 HG1 THR A 17 24.552 -12.118 -3.811 1.00 51.22 H new ATOM 0 HG21 THR A 17 22.814 -11.328 -5.250 1.00 75.30 H new ATOM 0 HG22 THR A 17 21.283 -12.235 -5.242 1.00 75.30 H new ATOM 0 HG23 THR A 17 21.737 -11.243 -3.836 1.00 75.30 H new ATOM 243 N THR A 18 22.156 -16.147 -2.268 1.00 70.32 N ATOM 244 CA THR A 18 22.391 -17.583 -2.349 1.00 73.42 C ATOM 245 C THR A 18 21.079 -18.348 -2.489 1.00 43.25 C ATOM 246 O THR A 18 21.073 -19.529 -2.833 1.00 74.41 O ATOM 247 CB THR A 18 23.143 -18.101 -1.109 1.00 10.55 C ATOM 248 OG1 THR A 18 23.554 -19.457 -1.315 1.00 13.33 O ATOM 249 CG2 THR A 18 22.266 -18.014 0.131 1.00 12.23 C ATOM 0 H THR A 18 22.026 -15.794 -1.320 1.00 70.32 H new ATOM 0 HA THR A 18 23.004 -17.753 -3.234 1.00 73.42 H new ATOM 0 HB THR A 18 24.022 -17.475 -0.957 1.00 10.55 H new ATOM 0 HG1 THR A 18 22.961 -19.883 -1.969 1.00 13.33 H new ATOM 0 HG21 THR A 18 22.818 -18.385 0.994 1.00 12.23 H new ATOM 0 HG22 THR A 18 21.980 -16.976 0.302 1.00 12.23 H new ATOM 0 HG23 THR A 18 21.370 -18.618 -0.014 1.00 12.23 H new ATOM 257 N MET A 19 19.971 -17.666 -2.222 1.00 54.40 N ATOM 258 CA MET A 19 18.652 -18.281 -2.321 1.00 23.32 C ATOM 259 C MET A 19 18.427 -18.864 -3.712 1.00 64.33 C ATOM 260 O MET A 19 19.117 -18.503 -4.665 1.00 41.03 O ATOM 261 CB MET A 19 17.562 -17.257 -2.002 1.00 50.51 C ATOM 262 CG MET A 19 17.340 -16.240 -3.111 1.00 22.52 C ATOM 263 SD MET A 19 17.482 -14.539 -2.532 1.00 3.20 S ATOM 264 CE MET A 19 17.517 -13.654 -4.089 1.00 2.53 C ATOM 0 H MET A 19 19.960 -16.687 -1.935 1.00 54.40 H new ATOM 0 HA MET A 19 18.602 -19.092 -1.594 1.00 23.32 H new ATOM 0 HB2 MET A 19 16.627 -17.782 -1.809 1.00 50.51 H new ATOM 0 HB3 MET A 19 17.827 -16.731 -1.085 1.00 50.51 H new ATOM 0 HG2 MET A 19 18.066 -16.411 -3.906 1.00 22.52 H new ATOM 0 HG3 MET A 19 16.351 -16.391 -3.544 1.00 22.52 H new ATOM 0 HE1 MET A 19 18.380 -12.988 -4.110 1.00 2.53 H new ATOM 0 HE2 MET A 19 17.589 -14.366 -4.911 1.00 2.53 H new ATOM 0 HE3 MET A 19 16.604 -13.068 -4.195 1.00 2.53 H new ATOM 274 N MET A 20 17.459 -19.768 -3.821 1.00 52.41 N ATOM 275 CA MET A 20 17.143 -20.399 -5.097 1.00 64.41 C ATOM 276 C MET A 20 16.672 -19.365 -6.114 1.00 44.23 C ATOM 277 O MET A 20 15.507 -18.970 -6.117 1.00 51.24 O ATOM 278 CB MET A 20 16.069 -21.472 -4.908 1.00 14.42 C ATOM 279 CG MET A 20 16.623 -22.817 -4.469 1.00 22.13 C ATOM 280 SD MET A 20 15.405 -24.141 -4.583 1.00 71.44 S ATOM 281 CE MET A 20 16.454 -25.531 -5.004 1.00 30.04 C ATOM 0 H MET A 20 16.880 -20.080 -3.041 1.00 52.41 H new ATOM 0 HA MET A 20 18.051 -20.867 -5.476 1.00 64.41 H new ATOM 0 HB2 MET A 20 15.348 -21.126 -4.167 1.00 14.42 H new ATOM 0 HB3 MET A 20 15.527 -21.600 -5.845 1.00 14.42 H new ATOM 0 HG2 MET A 20 17.486 -23.069 -5.085 1.00 22.13 H new ATOM 0 HG3 MET A 20 16.977 -22.742 -3.441 1.00 22.13 H new ATOM 0 HE1 MET A 20 15.844 -26.428 -5.109 1.00 30.04 H new ATOM 0 HE2 MET A 20 16.967 -25.328 -5.944 1.00 30.04 H new ATOM 0 HE3 MET A 20 17.190 -25.683 -4.215 1.00 30.04 H new ATOM 291 N ALA A 21 17.586 -18.930 -6.976 1.00 21.01 N ATOM 292 CA ALA A 21 17.263 -17.943 -7.999 1.00 1.25 C ATOM 293 C ALA A 21 17.629 -18.452 -9.388 1.00 63.34 C ATOM 294 O ALA A 21 18.594 -19.199 -9.552 1.00 30.21 O ATOM 295 CB ALA A 21 17.978 -16.631 -7.710 1.00 15.11 C ATOM 0 H ALA A 21 18.556 -19.246 -6.986 1.00 21.01 H new ATOM 0 HA ALA A 21 16.187 -17.771 -7.976 1.00 1.25 H new ATOM 0 HB1 ALA A 21 17.728 -15.903 -8.482 1.00 15.11 H new ATOM 0 HB2 ALA A 21 17.664 -16.252 -6.738 1.00 15.11 H new ATOM 0 HB3 ALA A 21 19.055 -16.797 -7.704 1.00 15.11 H new ATOM 301 N SER A 22 16.853 -18.044 -10.387 1.00 33.01 N ATOM 302 CA SER A 22 17.093 -18.463 -11.763 1.00 21.13 C ATOM 303 C SER A 22 17.795 -17.362 -12.551 1.00 53.45 C ATOM 304 O SER A 22 17.666 -16.179 -12.236 1.00 25.50 O ATOM 305 CB SER A 22 15.774 -18.832 -12.444 1.00 32.44 C ATOM 306 OG SER A 22 15.974 -19.815 -13.445 1.00 42.31 O ATOM 0 H SER A 22 16.052 -17.423 -10.269 1.00 33.01 H new ATOM 0 HA SER A 22 17.740 -19.340 -11.742 1.00 21.13 H new ATOM 0 HB2 SER A 22 15.069 -19.204 -11.701 1.00 32.44 H new ATOM 0 HB3 SER A 22 15.329 -17.942 -12.888 1.00 32.44 H new ATOM 0 HG SER A 22 15.116 -20.035 -13.864 1.00 42.31 H new ATOM 312 N ASN A 23 18.537 -17.760 -13.580 1.00 10.34 N ATOM 313 CA ASN A 23 19.260 -16.807 -14.414 1.00 62.23 C ATOM 314 C ASN A 23 18.328 -15.712 -14.923 1.00 13.12 C ATOM 315 O ASN A 23 18.751 -14.579 -15.153 1.00 64.20 O ATOM 316 CB ASN A 23 19.913 -17.526 -15.596 1.00 61.35 C ATOM 317 CG ASN A 23 21.215 -16.875 -16.022 1.00 53.21 C ATOM 318 OD1 ASN A 23 21.609 -15.840 -15.484 1.00 53.14 O ATOM 319 ND2 ASN A 23 21.889 -17.480 -16.993 1.00 41.20 N ATOM 0 H ASN A 23 18.653 -18.735 -13.856 1.00 10.34 H new ATOM 0 HA ASN A 23 20.036 -16.344 -13.804 1.00 62.23 H new ATOM 0 HB2 ASN A 23 20.101 -18.565 -15.327 1.00 61.35 H new ATOM 0 HB3 ASN A 23 19.222 -17.535 -16.439 1.00 61.35 H new ATOM 0 HD21 ASN A 23 22.772 -17.088 -17.322 1.00 41.20 H new ATOM 0 HD22 ASN A 23 21.524 -18.336 -17.410 1.00 41.20 H new ATOM 326 N ASP A 24 17.057 -16.058 -15.095 1.00 52.23 N ATOM 327 CA ASP A 24 16.063 -15.104 -15.575 1.00 22.11 C ATOM 328 C ASP A 24 15.497 -14.283 -14.421 1.00 1.42 C ATOM 329 O ASP A 24 15.221 -13.092 -14.570 1.00 24.11 O ATOM 330 CB ASP A 24 14.932 -15.835 -16.300 1.00 41.11 C ATOM 331 CG ASP A 24 14.432 -15.071 -17.511 1.00 23.52 C ATOM 332 OD1 ASP A 24 13.779 -14.024 -17.323 1.00 33.30 O ATOM 333 OD2 ASP A 24 14.694 -15.522 -18.646 1.00 50.31 O ATOM 0 H ASP A 24 16.690 -16.992 -14.909 1.00 52.23 H new ATOM 0 HA ASP A 24 16.553 -14.426 -16.274 1.00 22.11 H new ATOM 0 HB2 ASP A 24 15.281 -16.819 -16.613 1.00 41.11 H new ATOM 0 HB3 ASP A 24 14.105 -15.996 -15.608 1.00 41.11 H new ATOM 338 N ASP A 25 15.325 -14.926 -13.272 1.00 23.54 N ATOM 339 CA ASP A 25 14.792 -14.256 -12.092 1.00 12.33 C ATOM 340 C ASP A 25 15.753 -13.179 -11.598 1.00 12.22 C ATOM 341 O ASP A 25 15.339 -12.069 -11.262 1.00 2.15 O ATOM 342 CB ASP A 25 14.527 -15.270 -10.978 1.00 61.11 C ATOM 343 CG ASP A 25 13.677 -16.435 -11.446 1.00 51.11 C ATOM 344 OD1 ASP A 25 13.035 -16.311 -12.511 1.00 21.55 O ATOM 345 OD2 ASP A 25 13.654 -17.470 -10.749 1.00 21.25 O ATOM 0 H ASP A 25 15.547 -15.912 -13.132 1.00 23.54 H new ATOM 0 HA ASP A 25 13.852 -13.780 -12.370 1.00 12.33 H new ATOM 0 HB2 ASP A 25 15.477 -15.646 -10.600 1.00 61.11 H new ATOM 0 HB3 ASP A 25 14.028 -14.771 -10.147 1.00 61.11 H new ATOM 350 N LYS A 26 17.038 -13.514 -11.556 1.00 12.05 N ATOM 351 CA LYS A 26 18.059 -12.577 -11.103 1.00 40.20 C ATOM 352 C LYS A 26 18.148 -11.375 -12.038 1.00 74.24 C ATOM 353 O LYS A 26 18.570 -10.291 -11.635 1.00 2.15 O ATOM 354 CB LYS A 26 19.419 -13.273 -11.020 1.00 61.42 C ATOM 355 CG LYS A 26 19.403 -14.542 -10.186 1.00 32.43 C ATOM 356 CD LYS A 26 20.657 -14.668 -9.337 1.00 12.32 C ATOM 357 CE LYS A 26 21.787 -15.333 -10.107 1.00 41.21 C ATOM 358 NZ LYS A 26 22.343 -14.438 -11.160 1.00 13.13 N ATOM 0 H LYS A 26 17.397 -14.428 -11.830 1.00 12.05 H new ATOM 0 HA LYS A 26 17.777 -12.224 -10.111 1.00 40.20 H new ATOM 0 HB2 LYS A 26 19.756 -13.515 -12.028 1.00 61.42 H new ATOM 0 HB3 LYS A 26 20.147 -12.580 -10.598 1.00 61.42 H new ATOM 0 HG2 LYS A 26 18.524 -14.543 -9.541 1.00 32.43 H new ATOM 0 HG3 LYS A 26 19.318 -15.408 -10.842 1.00 32.43 H new ATOM 0 HD2 LYS A 26 20.974 -13.679 -9.005 1.00 12.32 H new ATOM 0 HD3 LYS A 26 20.435 -15.248 -8.442 1.00 12.32 H new ATOM 0 HE2 LYS A 26 22.580 -15.616 -9.415 1.00 41.21 H new ATOM 0 HE3 LYS A 26 21.422 -16.251 -10.567 1.00 41.21 H new ATOM 0 HZ1 LYS A 26 23.287 -14.774 -11.438 1.00 13.13 H new ATOM 0 HZ2 LYS A 26 21.715 -14.445 -11.989 1.00 13.13 H new ATOM 0 HZ3 LYS A 26 22.416 -13.469 -10.789 1.00 13.13 H new ATOM 372 N LEU A 27 17.746 -11.574 -13.289 1.00 14.12 N ATOM 373 CA LEU A 27 17.778 -10.506 -14.282 1.00 1.42 C ATOM 374 C LEU A 27 16.591 -9.564 -14.107 1.00 50.15 C ATOM 375 O LEU A 27 16.529 -8.505 -14.733 1.00 50.22 O ATOM 376 CB LEU A 27 17.773 -11.095 -15.694 1.00 5.54 C ATOM 377 CG LEU A 27 18.070 -10.116 -16.830 1.00 44.41 C ATOM 378 CD1 LEU A 27 19.378 -10.477 -17.518 1.00 73.00 C ATOM 379 CD2 LEU A 27 16.925 -10.099 -17.832 1.00 43.32 C ATOM 0 H LEU A 27 17.394 -12.465 -13.639 1.00 14.12 H new ATOM 0 HA LEU A 27 18.695 -9.935 -14.136 1.00 1.42 H new ATOM 0 HB2 LEU A 27 18.507 -11.900 -15.733 1.00 5.54 H new ATOM 0 HB3 LEU A 27 16.797 -11.545 -15.875 1.00 5.54 H new ATOM 0 HG LEU A 27 18.170 -9.117 -16.406 1.00 44.41 H new ATOM 0 HD11 LEU A 27 19.573 -9.769 -18.324 1.00 73.00 H new ATOM 0 HD12 LEU A 27 20.193 -10.437 -16.795 1.00 73.00 H new ATOM 0 HD13 LEU A 27 19.307 -11.484 -17.929 1.00 73.00 H new ATOM 0 HD21 LEU A 27 17.153 -9.397 -18.634 1.00 43.32 H new ATOM 0 HD22 LEU A 27 16.793 -11.097 -18.250 1.00 43.32 H new ATOM 0 HD23 LEU A 27 16.007 -9.791 -17.331 1.00 43.32 H new ATOM 391 N CYS A 28 15.653 -9.955 -13.253 1.00 34.42 N ATOM 392 CA CYS A 28 14.467 -9.145 -12.995 1.00 24.34 C ATOM 393 C CYS A 28 14.774 -8.038 -11.992 1.00 13.23 C ATOM 394 O CYS A 28 14.476 -6.868 -12.233 1.00 1.31 O ATOM 395 CB CYS A 28 13.329 -10.022 -12.472 1.00 74.33 C ATOM 396 SG CYS A 28 12.852 -11.359 -13.593 1.00 41.43 S ATOM 0 H CYS A 28 15.690 -10.828 -12.727 1.00 34.42 H new ATOM 0 HA CYS A 28 14.159 -8.685 -13.934 1.00 24.34 H new ATOM 0 HB2 CYS A 28 13.627 -10.453 -11.516 1.00 74.33 H new ATOM 0 HB3 CYS A 28 12.459 -9.394 -12.282 1.00 74.33 H new ATOM 0 HG CYS A 28 13.912 -12.012 -13.965 1.00 41.43 H new ATOM 402 N PHE A 29 15.369 -8.415 -10.865 1.00 52.00 N ATOM 403 CA PHE A 29 15.713 -7.454 -9.824 1.00 22.15 C ATOM 404 C PHE A 29 16.881 -6.575 -10.260 1.00 3.43 C ATOM 405 O PHE A 29 17.167 -5.551 -9.639 1.00 4.34 O ATOM 406 CB PHE A 29 16.065 -8.182 -8.525 1.00 25.23 C ATOM 407 CG PHE A 29 17.484 -8.672 -8.478 1.00 64.42 C ATOM 408 CD1 PHE A 29 18.505 -7.841 -8.044 1.00 75.31 C ATOM 409 CD2 PHE A 29 17.798 -9.964 -8.868 1.00 21.40 C ATOM 410 CE1 PHE A 29 19.811 -8.290 -8.001 1.00 41.21 C ATOM 411 CE2 PHE A 29 19.103 -10.419 -8.827 1.00 11.32 C ATOM 412 CZ PHE A 29 20.111 -9.580 -8.392 1.00 35.43 C ATOM 0 H PHE A 29 15.623 -9.379 -10.650 1.00 52.00 H new ATOM 0 HA PHE A 29 14.846 -6.816 -9.652 1.00 22.15 H new ATOM 0 HB2 PHE A 29 15.893 -7.511 -7.684 1.00 25.23 H new ATOM 0 HB3 PHE A 29 15.392 -9.030 -8.399 1.00 25.23 H new ATOM 0 HD1 PHE A 29 18.277 -6.831 -7.736 1.00 75.31 H new ATOM 0 HD2 PHE A 29 17.014 -10.624 -9.208 1.00 21.40 H new ATOM 0 HE1 PHE A 29 20.597 -7.632 -7.662 1.00 41.21 H new ATOM 0 HE2 PHE A 29 19.334 -11.428 -9.134 1.00 11.32 H new ATOM 0 HZ PHE A 29 21.131 -9.932 -8.358 1.00 35.43 H new ATOM 422 N TYR A 30 17.553 -6.982 -11.331 1.00 55.21 N ATOM 423 CA TYR A 30 18.692 -6.234 -11.849 1.00 55.55 C ATOM 424 C TYR A 30 18.227 -5.040 -12.679 1.00 64.21 C ATOM 425 O TYR A 30 18.916 -4.023 -12.765 1.00 54.12 O ATOM 426 CB TYR A 30 19.583 -7.143 -12.697 1.00 54.34 C ATOM 427 CG TYR A 30 20.095 -6.484 -13.958 1.00 2.51 C ATOM 428 CD1 TYR A 30 19.348 -6.503 -15.129 1.00 11.20 C ATOM 429 CD2 TYR A 30 21.327 -5.840 -13.977 1.00 72.43 C ATOM 430 CE1 TYR A 30 19.813 -5.902 -16.283 1.00 32.40 C ATOM 431 CE2 TYR A 30 21.799 -5.236 -15.126 1.00 60.03 C ATOM 432 CZ TYR A 30 21.039 -5.270 -16.277 1.00 33.24 C ATOM 433 OH TYR A 30 21.505 -4.670 -17.424 1.00 13.23 O ATOM 0 H TYR A 30 17.328 -7.826 -11.858 1.00 55.21 H new ATOM 0 HA TYR A 30 19.267 -5.862 -11.001 1.00 55.55 H new ATOM 0 HB2 TYR A 30 20.433 -7.468 -12.096 1.00 54.34 H new ATOM 0 HB3 TYR A 30 19.022 -8.038 -12.967 1.00 54.34 H new ATOM 0 HD1 TYR A 30 18.387 -6.996 -15.138 1.00 11.20 H new ATOM 0 HD2 TYR A 30 21.925 -5.812 -13.078 1.00 72.43 H new ATOM 0 HE1 TYR A 30 19.220 -5.927 -17.185 1.00 32.40 H new ATOM 0 HE2 TYR A 30 22.758 -4.740 -15.123 1.00 60.03 H new ATOM 0 HH TYR A 30 21.223 -5.192 -18.204 1.00 13.23 H new ATOM 443 N LYS A 31 17.054 -5.172 -13.288 1.00 61.35 N ATOM 444 CA LYS A 31 16.494 -4.106 -14.110 1.00 60.24 C ATOM 445 C LYS A 31 15.590 -3.198 -13.282 1.00 63.43 C ATOM 446 O LYS A 31 15.359 -2.043 -13.640 1.00 72.22 O ATOM 447 CB LYS A 31 15.706 -4.698 -15.281 1.00 53.53 C ATOM 448 CG LYS A 31 14.668 -5.723 -14.860 1.00 21.45 C ATOM 449 CD LYS A 31 13.869 -6.230 -16.049 1.00 24.12 C ATOM 450 CE LYS A 31 12.507 -6.754 -15.622 1.00 54.15 C ATOM 451 NZ LYS A 31 11.698 -7.210 -16.787 1.00 44.43 N ATOM 0 H LYS A 31 16.472 -6.008 -13.228 1.00 61.35 H new ATOM 0 HA LYS A 31 17.319 -3.510 -14.500 1.00 60.24 H new ATOM 0 HB2 LYS A 31 15.209 -3.890 -15.819 1.00 53.53 H new ATOM 0 HB3 LYS A 31 16.403 -5.164 -15.978 1.00 53.53 H new ATOM 0 HG2 LYS A 31 15.162 -6.561 -14.369 1.00 21.45 H new ATOM 0 HG3 LYS A 31 13.992 -5.278 -14.129 1.00 21.45 H new ATOM 0 HD2 LYS A 31 13.740 -5.425 -16.772 1.00 24.12 H new ATOM 0 HD3 LYS A 31 14.424 -7.023 -16.551 1.00 24.12 H new ATOM 0 HE2 LYS A 31 12.638 -7.582 -14.925 1.00 54.15 H new ATOM 0 HE3 LYS A 31 11.967 -5.971 -15.089 1.00 54.15 H new ATOM 0 HZ1 LYS A 31 10.704 -6.939 -16.647 1.00 44.43 H new ATOM 0 HZ2 LYS A 31 12.059 -6.766 -17.655 1.00 44.43 H new ATOM 0 HZ3 LYS A 31 11.766 -8.244 -16.873 1.00 44.43 H new ATOM 465 N TYR A 32 15.084 -3.727 -12.174 1.00 72.32 N ATOM 466 CA TYR A 32 14.205 -2.965 -11.296 1.00 13.32 C ATOM 467 C TYR A 32 14.983 -1.884 -10.551 1.00 53.12 C ATOM 468 O TYR A 32 14.514 -0.755 -10.405 1.00 42.33 O ATOM 469 CB TYR A 32 13.517 -3.895 -10.295 1.00 1.20 C ATOM 470 CG TYR A 32 12.595 -4.904 -10.941 1.00 64.40 C ATOM 471 CD1 TYR A 32 11.923 -4.606 -12.120 1.00 3.30 C ATOM 472 CD2 TYR A 32 12.396 -6.156 -10.372 1.00 73.14 C ATOM 473 CE1 TYR A 32 11.080 -5.524 -12.714 1.00 35.54 C ATOM 474 CE2 TYR A 32 11.555 -7.082 -10.960 1.00 1.42 C ATOM 475 CZ TYR A 32 10.899 -6.761 -12.130 1.00 61.20 C ATOM 476 OH TYR A 32 10.060 -7.680 -12.717 1.00 52.25 O ATOM 0 H TYR A 32 15.268 -4.681 -11.863 1.00 72.32 H new ATOM 0 HA TYR A 32 13.447 -2.482 -11.913 1.00 13.32 H new ATOM 0 HB2 TYR A 32 14.278 -4.425 -9.722 1.00 1.20 H new ATOM 0 HB3 TYR A 32 12.946 -3.294 -9.587 1.00 1.20 H new ATOM 0 HD1 TYR A 32 12.063 -3.639 -12.580 1.00 3.30 H new ATOM 0 HD2 TYR A 32 12.907 -6.410 -9.455 1.00 73.14 H new ATOM 0 HE1 TYR A 32 10.565 -5.275 -13.630 1.00 35.54 H new ATOM 0 HE2 TYR A 32 11.412 -8.051 -10.506 1.00 1.42 H new ATOM 0 HH TYR A 32 10.045 -8.500 -12.180 1.00 52.25 H new ATOM 486 N TYR A 33 16.174 -2.239 -10.083 1.00 0.31 N ATOM 487 CA TYR A 33 17.018 -1.301 -9.352 1.00 31.14 C ATOM 488 C TYR A 33 17.489 -0.170 -10.260 1.00 1.40 C ATOM 489 O TYR A 33 17.867 0.904 -9.790 1.00 52.02 O ATOM 490 CB TYR A 33 18.225 -2.027 -8.755 1.00 33.12 C ATOM 491 CG TYR A 33 19.100 -1.142 -7.897 1.00 23.12 C ATOM 492 CD1 TYR A 33 20.106 -0.368 -8.462 1.00 63.52 C ATOM 493 CD2 TYR A 33 18.921 -1.079 -6.520 1.00 53.13 C ATOM 494 CE1 TYR A 33 20.909 0.441 -7.682 1.00 20.21 C ATOM 495 CE2 TYR A 33 19.718 -0.271 -5.732 1.00 72.33 C ATOM 496 CZ TYR A 33 20.711 0.486 -6.318 1.00 12.23 C ATOM 497 OH TYR A 33 21.507 1.292 -5.537 1.00 44.21 O ATOM 0 H TYR A 33 16.577 -3.169 -10.197 1.00 0.31 H new ATOM 0 HA TYR A 33 16.425 -0.871 -8.545 1.00 31.14 H new ATOM 0 HB2 TYR A 33 17.873 -2.867 -8.156 1.00 33.12 H new ATOM 0 HB3 TYR A 33 18.825 -2.442 -9.564 1.00 33.12 H new ATOM 0 HD1 TYR A 33 20.263 -0.399 -9.530 1.00 63.52 H new ATOM 0 HD2 TYR A 33 18.145 -1.672 -6.058 1.00 53.13 H new ATOM 0 HE1 TYR A 33 21.687 1.035 -8.138 1.00 20.21 H new ATOM 0 HE2 TYR A 33 19.564 -0.232 -4.664 1.00 72.33 H new ATOM 0 HH TYR A 33 21.236 1.209 -4.599 1.00 44.21 H new ATOM 507 N LYS A 34 17.464 -0.418 -11.565 1.00 54.20 N ATOM 508 CA LYS A 34 17.886 0.579 -12.542 1.00 74.53 C ATOM 509 C LYS A 34 16.708 1.443 -12.981 1.00 71.24 C ATOM 510 O LYS A 34 16.854 2.647 -13.189 1.00 64.13 O ATOM 511 CB LYS A 34 18.512 -0.105 -13.760 1.00 3.22 C ATOM 512 CG LYS A 34 19.733 -0.944 -13.425 1.00 4.31 C ATOM 513 CD LYS A 34 20.774 -0.137 -12.666 1.00 55.42 C ATOM 514 CE LYS A 34 21.278 1.038 -13.491 1.00 33.13 C ATOM 515 NZ LYS A 34 22.053 0.588 -14.680 1.00 2.51 N ATOM 0 H LYS A 34 17.156 -1.302 -11.971 1.00 54.20 H new ATOM 0 HA LYS A 34 18.630 1.222 -12.071 1.00 74.53 H new ATOM 0 HB2 LYS A 34 17.764 -0.740 -14.234 1.00 3.22 H new ATOM 0 HB3 LYS A 34 18.793 0.655 -14.489 1.00 3.22 H new ATOM 0 HG2 LYS A 34 19.432 -1.804 -12.827 1.00 4.31 H new ATOM 0 HG3 LYS A 34 20.172 -1.333 -14.344 1.00 4.31 H new ATOM 0 HD2 LYS A 34 20.344 0.229 -11.734 1.00 55.42 H new ATOM 0 HD3 LYS A 34 21.612 -0.781 -12.399 1.00 55.42 H new ATOM 0 HE2 LYS A 34 20.432 1.643 -13.817 1.00 33.13 H new ATOM 0 HE3 LYS A 34 21.905 1.676 -12.869 1.00 33.13 H new ATOM 0 HZ1 LYS A 34 22.959 1.098 -14.717 1.00 2.51 H new ATOM 0 HZ2 LYS A 34 22.234 -0.434 -14.610 1.00 2.51 H new ATOM 0 HZ3 LYS A 34 21.509 0.785 -15.544 1.00 2.51 H new ATOM 529 N GLN A 35 15.542 0.820 -13.119 1.00 13.30 N ATOM 530 CA GLN A 35 14.339 1.534 -13.533 1.00 4.15 C ATOM 531 C GLN A 35 13.773 2.359 -12.382 1.00 2.34 C ATOM 532 O GLN A 35 13.147 3.396 -12.598 1.00 2.41 O ATOM 533 CB GLN A 35 13.284 0.549 -14.037 1.00 33.42 C ATOM 534 CG GLN A 35 13.003 0.667 -15.526 1.00 14.40 C ATOM 535 CD GLN A 35 13.975 -0.133 -16.369 1.00 64.02 C ATOM 536 OE1 GLN A 35 14.148 -1.405 -16.028 1.00 74.54 O flip ATOM 537 NE2 GLN A 35 14.566 0.386 -17.317 1.00 2.54 N flip ATOM 0 H GLN A 35 15.404 -0.177 -12.950 1.00 13.30 H new ATOM 0 HA GLN A 35 14.609 2.211 -14.343 1.00 4.15 H new ATOM 0 HB2 GLN A 35 13.613 -0.467 -13.817 1.00 33.42 H new ATOM 0 HB3 GLN A 35 12.357 0.710 -13.487 1.00 33.42 H new ATOM 0 HG2 GLN A 35 11.987 0.327 -15.728 1.00 14.40 H new ATOM 0 HG3 GLN A 35 13.052 1.716 -15.819 1.00 14.40 H new ATOM 0 HE21 GLN A 35 14.403 1.367 -17.544 1.00 2.54 H new ATOM 0 HE22 GLN A 35 15.218 -0.165 -17.875 1.00 2.54 H new ATOM 546 N ALA A 36 13.997 1.891 -11.158 1.00 44.22 N ATOM 547 CA ALA A 36 13.511 2.587 -9.973 1.00 60.32 C ATOM 548 C ALA A 36 14.527 3.612 -9.483 1.00 3.42 C ATOM 549 O ALA A 36 14.299 4.302 -8.489 1.00 1.54 O ATOM 550 CB ALA A 36 13.191 1.589 -8.870 1.00 13.11 C ATOM 0 H ALA A 36 14.512 1.033 -10.961 1.00 44.22 H new ATOM 0 HA ALA A 36 12.599 3.119 -10.243 1.00 60.32 H new ATOM 0 HB1 ALA A 36 12.829 2.122 -7.991 1.00 13.11 H new ATOM 0 HB2 ALA A 36 12.423 0.897 -9.217 1.00 13.11 H new ATOM 0 HB3 ALA A 36 14.091 1.032 -8.611 1.00 13.11 H new ATOM 556 N THR A 37 15.652 3.708 -10.186 1.00 34.20 N ATOM 557 CA THR A 37 16.704 4.648 -9.821 1.00 71.21 C ATOM 558 C THR A 37 16.952 5.656 -10.938 1.00 22.45 C ATOM 559 O THR A 37 16.928 6.866 -10.712 1.00 74.41 O ATOM 560 CB THR A 37 18.022 3.919 -9.501 1.00 22.54 C ATOM 561 OG1 THR A 37 17.846 3.065 -8.364 1.00 43.13 O ATOM 562 CG2 THR A 37 19.139 4.915 -9.225 1.00 75.42 C ATOM 0 H THR A 37 15.857 3.146 -11.012 1.00 34.20 H new ATOM 0 HA THR A 37 16.363 5.174 -8.929 1.00 71.21 H new ATOM 0 HB THR A 37 18.298 3.318 -10.367 1.00 22.54 H new ATOM 0 HG1 THR A 37 18.146 2.159 -8.586 1.00 43.13 H new ATOM 0 HG21 THR A 37 20.060 4.376 -9.001 1.00 75.42 H new ATOM 0 HG22 THR A 37 19.290 5.544 -10.102 1.00 75.42 H new ATOM 0 HG23 THR A 37 18.868 5.539 -8.373 1.00 75.42 H new ATOM 570 N VAL A 38 17.191 5.149 -12.143 1.00 50.32 N ATOM 571 CA VAL A 38 17.442 6.006 -13.296 1.00 61.10 C ATOM 572 C VAL A 38 16.145 6.343 -14.023 1.00 42.11 C ATOM 573 O VAL A 38 15.736 7.502 -14.080 1.00 44.00 O ATOM 574 CB VAL A 38 18.416 5.342 -14.287 1.00 72.55 C ATOM 575 CG1 VAL A 38 18.637 6.235 -15.498 1.00 63.14 C ATOM 576 CG2 VAL A 38 19.736 5.020 -13.603 1.00 12.31 C ATOM 0 H VAL A 38 17.216 4.150 -12.346 1.00 50.32 H new ATOM 0 HA VAL A 38 17.891 6.924 -12.917 1.00 61.10 H new ATOM 0 HB VAL A 38 17.975 4.407 -14.631 1.00 72.55 H new ATOM 0 HG11 VAL A 38 19.328 5.749 -16.187 1.00 63.14 H new ATOM 0 HG12 VAL A 38 17.685 6.409 -16.001 1.00 63.14 H new ATOM 0 HG13 VAL A 38 19.056 7.188 -15.176 1.00 63.14 H new ATOM 0 HG21 VAL A 38 20.412 4.551 -14.318 1.00 12.31 H new ATOM 0 HG22 VAL A 38 20.185 5.940 -13.228 1.00 12.31 H new ATOM 0 HG23 VAL A 38 19.558 4.338 -12.772 1.00 12.31 H new ATOM 586 N GLY A 39 15.501 5.321 -14.578 1.00 61.22 N ATOM 587 CA GLY A 39 14.256 5.529 -15.294 1.00 43.13 C ATOM 588 C GLY A 39 14.154 4.673 -16.541 1.00 44.01 C ATOM 589 O GLY A 39 13.128 4.037 -16.784 1.00 3.34 O ATOM 0 H GLY A 39 15.819 4.353 -14.545 1.00 61.22 H new ATOM 0 HA2 GLY A 39 13.419 5.304 -14.633 1.00 43.13 H new ATOM 0 HA3 GLY A 39 14.171 6.580 -15.570 1.00 43.13 H new ATOM 593 N ASP A 40 15.220 4.657 -17.335 1.00 13.25 N ATOM 594 CA ASP A 40 15.246 3.873 -18.564 1.00 11.21 C ATOM 595 C ASP A 40 16.678 3.519 -18.952 1.00 30.53 C ATOM 596 O ASP A 40 17.633 4.100 -18.435 1.00 64.54 O ATOM 597 CB ASP A 40 14.573 4.644 -19.700 1.00 54.32 C ATOM 598 CG ASP A 40 14.827 6.137 -19.617 1.00 71.44 C ATOM 599 OD1 ASP A 40 15.948 6.527 -19.229 1.00 12.24 O ATOM 600 OD2 ASP A 40 13.905 6.914 -19.942 1.00 64.13 O ATOM 0 H ASP A 40 16.077 5.178 -17.149 1.00 13.25 H new ATOM 0 HA ASP A 40 14.697 2.948 -18.388 1.00 11.21 H new ATOM 0 HB2 ASP A 40 14.938 4.269 -20.656 1.00 54.32 H new ATOM 0 HB3 ASP A 40 13.499 4.459 -19.674 1.00 54.32 H new ATOM 605 N CYS A 41 16.819 2.562 -19.862 1.00 70.33 N ATOM 606 CA CYS A 41 18.135 2.128 -20.318 1.00 70.01 C ATOM 607 C CYS A 41 18.701 3.100 -21.348 1.00 62.11 C ATOM 608 O CYS A 41 18.005 3.513 -22.275 1.00 23.42 O ATOM 609 CB CYS A 41 18.053 0.723 -20.916 1.00 71.21 C ATOM 610 SG CYS A 41 19.612 0.123 -21.609 1.00 13.11 S ATOM 0 H CYS A 41 16.039 2.072 -20.299 1.00 70.33 H new ATOM 0 HA CYS A 41 18.803 2.110 -19.457 1.00 70.01 H new ATOM 0 HB2 CYS A 41 17.721 0.030 -20.143 1.00 71.21 H new ATOM 0 HB3 CYS A 41 17.294 0.716 -21.698 1.00 71.21 H new ATOM 0 HG CYS A 41 20.417 -0.208 -20.644 1.00 13.11 H new ATOM 616 N ASN A 42 19.968 3.463 -21.178 1.00 24.33 N ATOM 617 CA ASN A 42 20.628 4.388 -22.091 1.00 51.45 C ATOM 618 C ASN A 42 22.125 4.105 -22.166 1.00 42.11 C ATOM 619 O ASN A 42 22.946 5.019 -22.087 1.00 3.12 O ATOM 620 CB ASN A 42 20.392 5.833 -21.645 1.00 65.21 C ATOM 621 CG ASN A 42 18.968 6.070 -21.183 1.00 11.14 C ATOM 622 OD1 ASN A 42 18.051 6.186 -21.996 1.00 13.44 O ATOM 623 ND2 ASN A 42 18.776 6.143 -19.871 1.00 4.34 N ATOM 0 H ASN A 42 20.558 3.130 -20.416 1.00 24.33 H new ATOM 0 HA ASN A 42 20.200 4.246 -23.083 1.00 51.45 H new ATOM 0 HB2 ASN A 42 21.079 6.077 -20.835 1.00 65.21 H new ATOM 0 HB3 ASN A 42 20.620 6.507 -22.471 1.00 65.21 H new ATOM 0 HD21 ASN A 42 17.839 6.301 -19.501 1.00 4.34 H new ATOM 0 HD22 ASN A 42 19.566 6.041 -19.234 1.00 4.34 H new ATOM 630 N LYS A 43 22.474 2.832 -22.320 1.00 11.23 N ATOM 631 CA LYS A 43 23.872 2.426 -22.407 1.00 53.53 C ATOM 632 C LYS A 43 24.162 1.760 -23.748 1.00 52.35 C ATOM 633 O LYS A 43 23.272 1.218 -24.405 1.00 3.40 O ATOM 634 CB LYS A 43 24.219 1.469 -21.265 1.00 11.42 C ATOM 635 CG LYS A 43 24.287 2.144 -19.906 1.00 14.04 C ATOM 636 CD LYS A 43 25.418 3.156 -19.841 1.00 25.31 C ATOM 637 CE LYS A 43 24.897 4.582 -19.924 1.00 73.01 C ATOM 638 NZ LYS A 43 25.698 5.515 -19.085 1.00 14.44 N ATOM 0 H LYS A 43 21.807 2.063 -22.387 1.00 11.23 H new ATOM 0 HA LYS A 43 24.490 3.320 -22.324 1.00 53.53 H new ATOM 0 HB2 LYS A 43 23.474 0.674 -21.230 1.00 11.42 H new ATOM 0 HB3 LYS A 43 25.179 0.998 -21.476 1.00 11.42 H new ATOM 0 HG2 LYS A 43 23.340 2.642 -19.699 1.00 14.04 H new ATOM 0 HG3 LYS A 43 24.427 1.390 -19.131 1.00 14.04 H new ATOM 0 HD2 LYS A 43 25.973 3.024 -18.912 1.00 25.31 H new ATOM 0 HD3 LYS A 43 26.117 2.975 -20.658 1.00 25.31 H new ATOM 0 HE2 LYS A 43 24.919 4.917 -20.961 1.00 73.01 H new ATOM 0 HE3 LYS A 43 23.856 4.607 -19.603 1.00 73.01 H new ATOM 0 HZ1 LYS A 43 25.311 6.477 -19.169 1.00 14.44 H new ATOM 0 HZ2 LYS A 43 25.657 5.211 -18.091 1.00 14.44 H new ATOM 0 HZ3 LYS A 43 26.687 5.510 -19.408 1.00 14.44 H new ATOM 652 N PRO A 44 25.436 1.799 -24.166 1.00 71.11 N ATOM 653 CA PRO A 44 25.873 1.202 -25.432 1.00 35.34 C ATOM 654 C PRO A 44 25.826 -0.322 -25.400 1.00 23.10 C ATOM 655 O PRO A 44 25.883 -0.934 -24.333 1.00 12.52 O ATOM 656 CB PRO A 44 27.316 1.690 -25.575 1.00 22.03 C ATOM 657 CG PRO A 44 27.766 1.956 -24.180 1.00 22.13 C ATOM 658 CD PRO A 44 26.548 2.428 -23.435 1.00 24.14 C ATOM 0 HA PRO A 44 25.228 1.489 -26.262 1.00 35.34 H new ATOM 0 HB2 PRO A 44 27.942 0.939 -26.056 1.00 22.03 H new ATOM 0 HB3 PRO A 44 27.371 2.590 -26.187 1.00 22.03 H new ATOM 0 HG2 PRO A 44 28.178 1.055 -23.724 1.00 22.13 H new ATOM 0 HG3 PRO A 44 28.552 2.711 -24.161 1.00 22.13 H new ATOM 0 HD2 PRO A 44 26.570 2.116 -22.391 1.00 24.14 H new ATOM 0 HD3 PRO A 44 26.469 3.515 -23.441 1.00 24.14 H new ATOM 666 N LYS A 45 25.724 -0.931 -26.577 1.00 15.24 N ATOM 667 CA LYS A 45 25.671 -2.384 -26.685 1.00 4.11 C ATOM 668 C LYS A 45 26.919 -3.020 -26.081 1.00 4.34 C ATOM 669 O LYS A 45 28.043 -2.566 -26.297 1.00 2.55 O ATOM 670 CB LYS A 45 25.532 -2.802 -28.150 1.00 73.04 C ATOM 671 CG LYS A 45 25.421 -4.304 -28.346 1.00 72.14 C ATOM 672 CD LYS A 45 23.971 -4.760 -28.353 1.00 63.04 C ATOM 673 CE LYS A 45 23.861 -6.263 -28.562 1.00 54.42 C ATOM 674 NZ LYS A 45 24.531 -7.025 -27.473 1.00 4.22 N ATOM 0 H LYS A 45 25.676 -0.440 -27.470 1.00 15.24 H new ATOM 0 HA LYS A 45 24.801 -2.733 -26.129 1.00 4.11 H new ATOM 0 HB2 LYS A 45 24.650 -2.323 -28.574 1.00 73.04 H new ATOM 0 HB3 LYS A 45 26.393 -2.434 -28.707 1.00 73.04 H new ATOM 0 HG2 LYS A 45 25.896 -4.585 -29.286 1.00 72.14 H new ATOM 0 HG3 LYS A 45 25.961 -4.817 -27.550 1.00 72.14 H new ATOM 0 HD2 LYS A 45 23.498 -4.487 -27.410 1.00 63.04 H new ATOM 0 HD3 LYS A 45 23.429 -4.241 -29.143 1.00 63.04 H new ATOM 0 HE2 LYS A 45 22.810 -6.547 -28.610 1.00 54.42 H new ATOM 0 HE3 LYS A 45 24.307 -6.530 -29.520 1.00 54.42 H new ATOM 0 HZ1 LYS A 45 24.362 -8.042 -27.606 1.00 4.22 H new ATOM 0 HZ2 LYS A 45 25.554 -6.838 -27.497 1.00 4.22 H new ATOM 0 HZ3 LYS A 45 24.146 -6.727 -26.554 1.00 4.22 H new ATOM 688 N PRO A 46 26.720 -4.097 -25.306 1.00 43.34 N ATOM 689 CA PRO A 46 27.818 -4.819 -24.657 1.00 44.22 C ATOM 690 C PRO A 46 28.685 -5.576 -25.657 1.00 63.31 C ATOM 691 O PRO A 46 28.616 -5.335 -26.861 1.00 42.14 O ATOM 692 CB PRO A 46 27.098 -5.797 -23.725 1.00 40.45 C ATOM 693 CG PRO A 46 25.761 -5.999 -24.350 1.00 34.13 C ATOM 694 CD PRO A 46 25.408 -4.693 -25.006 1.00 12.23 C ATOM 0 HA PRO A 46 28.502 -4.144 -24.142 1.00 44.22 H new ATOM 0 HB2 PRO A 46 27.642 -6.738 -23.641 1.00 40.45 H new ATOM 0 HB3 PRO A 46 27.007 -5.390 -22.718 1.00 40.45 H new ATOM 0 HG2 PRO A 46 25.790 -6.807 -25.081 1.00 34.13 H new ATOM 0 HG3 PRO A 46 25.018 -6.273 -23.601 1.00 34.13 H new ATOM 0 HD2 PRO A 46 24.819 -4.844 -25.911 1.00 12.23 H new ATOM 0 HD3 PRO A 46 24.819 -4.057 -24.345 1.00 12.23 H new ATOM 702 N GLY A 47 29.502 -6.495 -25.149 1.00 52.32 N ATOM 703 CA GLY A 47 30.370 -7.274 -26.012 1.00 44.22 C ATOM 704 C GLY A 47 29.603 -8.025 -27.081 1.00 75.54 C ATOM 705 O GLY A 47 28.390 -7.863 -27.214 1.00 31.13 O ATOM 0 H GLY A 47 29.578 -6.713 -24.155 1.00 52.32 H new ATOM 0 HA2 GLY A 47 31.094 -6.612 -26.487 1.00 44.22 H new ATOM 0 HA3 GLY A 47 30.935 -7.984 -25.408 1.00 44.22 H new ATOM 709 N MET A 48 30.310 -8.849 -27.847 1.00 64.23 N ATOM 710 CA MET A 48 29.687 -9.628 -28.911 1.00 20.21 C ATOM 711 C MET A 48 29.952 -11.118 -28.720 1.00 63.25 C ATOM 712 O MET A 48 29.749 -11.917 -29.636 1.00 21.23 O ATOM 713 CB MET A 48 30.208 -9.176 -30.276 1.00 44.12 C ATOM 714 CG MET A 48 29.107 -8.904 -31.288 1.00 32.12 C ATOM 715 SD MET A 48 28.262 -7.339 -30.991 1.00 32.21 S ATOM 716 CE MET A 48 27.230 -7.229 -32.451 1.00 21.21 C ATOM 0 H MET A 48 31.315 -8.995 -27.751 1.00 64.23 H new ATOM 0 HA MET A 48 28.611 -9.460 -28.868 1.00 20.21 H new ATOM 0 HB2 MET A 48 30.803 -8.272 -30.147 1.00 44.12 H new ATOM 0 HB3 MET A 48 30.874 -9.942 -30.673 1.00 44.12 H new ATOM 0 HG2 MET A 48 29.534 -8.897 -32.291 1.00 32.12 H new ATOM 0 HG3 MET A 48 28.381 -9.716 -31.256 1.00 32.12 H new ATOM 0 HE1 MET A 48 26.644 -6.311 -32.414 1.00 21.21 H new ATOM 0 HE2 MET A 48 27.859 -7.223 -33.341 1.00 21.21 H new ATOM 0 HE3 MET A 48 26.558 -8.087 -32.487 1.00 21.21 H new ATOM 726 N LEU A 49 30.407 -11.486 -27.528 1.00 0.23 N ATOM 727 CA LEU A 49 30.700 -12.881 -27.217 1.00 45.34 C ATOM 728 C LEU A 49 30.052 -13.293 -25.900 1.00 25.34 C ATOM 729 O LEU A 49 30.368 -14.346 -25.345 1.00 41.33 O ATOM 730 CB LEU A 49 32.213 -13.101 -27.146 1.00 54.32 C ATOM 731 CG LEU A 49 33.011 -12.034 -26.396 1.00 64.20 C ATOM 732 CD1 LEU A 49 33.139 -10.773 -27.236 1.00 60.25 C ATOM 733 CD2 LEU A 49 32.358 -11.722 -25.058 1.00 0.53 C ATOM 0 H LEU A 49 30.581 -10.838 -26.760 1.00 0.23 H new ATOM 0 HA LEU A 49 30.286 -13.500 -28.013 1.00 45.34 H new ATOM 0 HB2 LEU A 49 32.398 -14.065 -26.672 1.00 54.32 H new ATOM 0 HB3 LEU A 49 32.599 -13.167 -28.163 1.00 54.32 H new ATOM 0 HG LEU A 49 34.012 -12.422 -26.207 1.00 64.20 H new ATOM 0 HD11 LEU A 49 33.710 -10.025 -26.685 1.00 60.25 H new ATOM 0 HD12 LEU A 49 33.653 -11.008 -28.168 1.00 60.25 H new ATOM 0 HD13 LEU A 49 32.146 -10.381 -27.457 1.00 60.25 H new ATOM 0 HD21 LEU A 49 32.940 -10.961 -24.538 1.00 0.53 H new ATOM 0 HD22 LEU A 49 31.345 -11.355 -25.224 1.00 0.53 H new ATOM 0 HD23 LEU A 49 32.321 -12.627 -24.452 1.00 0.53 H new ATOM 745 N GLN A 50 29.144 -12.458 -25.406 1.00 22.13 N ATOM 746 CA GLN A 50 28.451 -12.738 -24.154 1.00 11.42 C ATOM 747 C GLN A 50 26.967 -12.990 -24.398 1.00 72.31 C ATOM 748 O GLN A 50 26.346 -12.342 -25.242 1.00 4.54 O ATOM 749 CB GLN A 50 28.628 -11.574 -23.177 1.00 42.42 C ATOM 750 CG GLN A 50 30.023 -11.489 -22.579 1.00 1.41 C ATOM 751 CD GLN A 50 30.599 -10.088 -22.639 1.00 4.31 C ATOM 752 OE1 GLN A 50 31.790 -9.904 -22.893 1.00 23.32 O ATOM 753 NE2 GLN A 50 29.755 -9.090 -22.405 1.00 45.52 N ATOM 0 H GLN A 50 28.871 -11.583 -25.853 1.00 22.13 H new ATOM 0 HA GLN A 50 28.888 -13.638 -23.720 1.00 11.42 H new ATOM 0 HB2 GLN A 50 28.405 -10.640 -23.693 1.00 42.42 H new ATOM 0 HB3 GLN A 50 27.901 -11.674 -22.371 1.00 42.42 H new ATOM 0 HG2 GLN A 50 29.990 -11.820 -21.541 1.00 1.41 H new ATOM 0 HG3 GLN A 50 30.685 -12.173 -23.111 1.00 1.41 H new ATOM 0 HE21 GLN A 50 28.776 -9.288 -22.198 1.00 45.52 H new ATOM 0 HE22 GLN A 50 30.086 -8.125 -22.432 1.00 45.52 H new ATOM 762 N LEU A 51 26.403 -13.937 -23.656 1.00 0.33 N ATOM 763 CA LEU A 51 24.991 -14.276 -23.792 1.00 13.13 C ATOM 764 C LEU A 51 24.135 -13.433 -22.851 1.00 42.13 C ATOM 765 O LEU A 51 23.207 -12.752 -23.285 1.00 53.24 O ATOM 766 CB LEU A 51 24.773 -15.762 -23.503 1.00 72.23 C ATOM 767 CG LEU A 51 25.559 -16.738 -24.379 1.00 25.21 C ATOM 768 CD1 LEU A 51 25.988 -17.953 -23.571 1.00 63.42 C ATOM 769 CD2 LEU A 51 24.731 -17.161 -25.583 1.00 70.21 C ATOM 0 H LEU A 51 26.902 -14.484 -22.954 1.00 0.33 H new ATOM 0 HA LEU A 51 24.689 -14.063 -24.817 1.00 13.13 H new ATOM 0 HB2 LEU A 51 25.032 -15.951 -22.461 1.00 72.23 H new ATOM 0 HB3 LEU A 51 23.711 -15.981 -23.613 1.00 72.23 H new ATOM 0 HG LEU A 51 26.455 -16.232 -24.740 1.00 25.21 H new ATOM 0 HD11 LEU A 51 26.546 -18.637 -24.211 1.00 63.42 H new ATOM 0 HD12 LEU A 51 26.620 -17.634 -22.742 1.00 63.42 H new ATOM 0 HD13 LEU A 51 25.106 -18.460 -23.180 1.00 63.42 H new ATOM 0 HD21 LEU A 51 25.307 -17.855 -26.195 1.00 70.21 H new ATOM 0 HD22 LEU A 51 23.817 -17.648 -25.243 1.00 70.21 H new ATOM 0 HD23 LEU A 51 24.475 -16.282 -26.175 1.00 70.21 H new ATOM 781 N GLN A 52 24.457 -13.483 -21.563 1.00 14.04 N ATOM 782 CA GLN A 52 23.718 -12.722 -20.562 1.00 30.54 C ATOM 783 C GLN A 52 23.697 -11.238 -20.912 1.00 23.25 C ATOM 784 O GLN A 52 22.825 -10.497 -20.460 1.00 72.23 O ATOM 785 CB GLN A 52 24.338 -12.924 -19.178 1.00 11.23 C ATOM 786 CG GLN A 52 25.852 -12.785 -19.163 1.00 54.41 C ATOM 787 CD GLN A 52 26.556 -14.097 -18.878 1.00 54.45 C ATOM 788 OE1 GLN A 52 26.578 -14.568 -17.741 1.00 62.43 O ATOM 789 NE2 GLN A 52 27.135 -14.694 -19.913 1.00 25.21 N ATOM 0 H GLN A 52 25.224 -14.042 -21.188 1.00 14.04 H new ATOM 0 HA GLN A 52 22.691 -13.087 -20.549 1.00 30.54 H new ATOM 0 HB2 GLN A 52 23.908 -12.199 -18.487 1.00 11.23 H new ATOM 0 HB3 GLN A 52 24.069 -13.914 -18.809 1.00 11.23 H new ATOM 0 HG2 GLN A 52 26.187 -12.399 -20.126 1.00 54.41 H new ATOM 0 HG3 GLN A 52 26.138 -12.052 -18.409 1.00 54.41 H new ATOM 0 HE21 GLN A 52 27.091 -14.267 -20.838 1.00 25.21 H new ATOM 0 HE22 GLN A 52 27.623 -15.580 -19.783 1.00 25.21 H new ATOM 798 N GLU A 53 24.664 -10.812 -21.718 1.00 4.32 N ATOM 799 CA GLU A 53 24.757 -9.415 -22.127 1.00 32.14 C ATOM 800 C GLU A 53 23.520 -8.996 -22.915 1.00 75.14 C ATOM 801 O GLU A 53 23.033 -7.873 -22.780 1.00 44.01 O ATOM 802 CB GLU A 53 26.013 -9.190 -22.970 1.00 44.51 C ATOM 803 CG GLU A 53 25.795 -9.406 -24.458 1.00 73.20 C ATOM 804 CD GLU A 53 27.085 -9.349 -25.252 1.00 24.02 C ATOM 805 OE1 GLU A 53 28.044 -8.703 -24.781 1.00 2.43 O ATOM 806 OE2 GLU A 53 27.136 -9.952 -26.345 1.00 2.44 O ATOM 0 H GLU A 53 25.394 -11.413 -22.101 1.00 4.32 H new ATOM 0 HA GLU A 53 24.818 -8.803 -21.227 1.00 32.14 H new ATOM 0 HB2 GLU A 53 26.372 -8.174 -22.808 1.00 44.51 H new ATOM 0 HB3 GLU A 53 26.797 -9.864 -22.625 1.00 44.51 H new ATOM 0 HG2 GLU A 53 25.319 -10.374 -24.615 1.00 73.20 H new ATOM 0 HG3 GLU A 53 25.108 -8.648 -24.834 1.00 73.20 H new ATOM 813 N LYS A 54 23.015 -9.907 -23.741 1.00 13.04 N ATOM 814 CA LYS A 54 21.834 -9.635 -24.552 1.00 1.33 C ATOM 815 C LYS A 54 20.589 -9.518 -23.678 1.00 40.12 C ATOM 816 O LYS A 54 19.792 -8.593 -23.837 1.00 41.12 O ATOM 817 CB LYS A 54 21.638 -10.740 -25.592 1.00 24.34 C ATOM 818 CG LYS A 54 22.665 -10.712 -26.710 1.00 44.43 C ATOM 819 CD LYS A 54 23.708 -11.803 -26.538 1.00 60.53 C ATOM 820 CE LYS A 54 23.124 -13.180 -26.816 1.00 23.32 C ATOM 821 NZ LYS A 54 22.637 -13.304 -28.218 1.00 25.03 N ATOM 0 H LYS A 54 23.406 -10.841 -23.866 1.00 13.04 H new ATOM 0 HA LYS A 54 21.987 -8.685 -25.065 1.00 1.33 H new ATOM 0 HB2 LYS A 54 21.682 -11.708 -25.094 1.00 24.34 H new ATOM 0 HB3 LYS A 54 20.641 -10.649 -26.023 1.00 24.34 H new ATOM 0 HG2 LYS A 54 22.163 -10.836 -27.669 1.00 44.43 H new ATOM 0 HG3 LYS A 54 23.155 -9.739 -26.730 1.00 44.43 H new ATOM 0 HD2 LYS A 54 24.544 -11.618 -27.212 1.00 60.53 H new ATOM 0 HD3 LYS A 54 24.104 -11.773 -25.523 1.00 60.53 H new ATOM 0 HE2 LYS A 54 23.881 -13.941 -26.626 1.00 23.32 H new ATOM 0 HE3 LYS A 54 22.301 -13.371 -26.128 1.00 23.32 H new ATOM 0 HZ1 LYS A 54 22.566 -14.310 -28.473 1.00 25.03 H new ATOM 0 HZ2 LYS A 54 21.701 -12.859 -28.301 1.00 25.03 H new ATOM 0 HZ3 LYS A 54 23.304 -12.830 -28.860 1.00 25.03 H new ATOM 835 N TYR A 55 20.429 -10.460 -22.755 1.00 51.24 N ATOM 836 CA TYR A 55 19.280 -10.463 -21.857 1.00 43.44 C ATOM 837 C TYR A 55 19.358 -9.302 -20.870 1.00 21.43 C ATOM 838 O TYR A 55 18.344 -8.697 -20.523 1.00 52.31 O ATOM 839 CB TYR A 55 19.203 -11.788 -21.099 1.00 33.54 C ATOM 840 CG TYR A 55 19.419 -13.001 -21.975 1.00 61.32 C ATOM 841 CD1 TYR A 55 18.916 -13.045 -23.270 1.00 24.41 C ATOM 842 CD2 TYR A 55 20.125 -14.103 -21.509 1.00 21.21 C ATOM 843 CE1 TYR A 55 19.111 -14.152 -24.074 1.00 51.44 C ATOM 844 CE2 TYR A 55 20.326 -15.213 -22.307 1.00 13.13 C ATOM 845 CZ TYR A 55 19.817 -15.232 -23.588 1.00 74.55 C ATOM 846 OH TYR A 55 20.013 -16.337 -24.386 1.00 1.41 O ATOM 0 H TYR A 55 21.080 -11.231 -22.609 1.00 51.24 H new ATOM 0 HA TYR A 55 18.379 -10.344 -22.459 1.00 43.44 H new ATOM 0 HB2 TYR A 55 19.950 -11.786 -20.305 1.00 33.54 H new ATOM 0 HB3 TYR A 55 18.227 -11.866 -20.619 1.00 33.54 H new ATOM 0 HD1 TYR A 55 18.364 -12.200 -23.654 1.00 24.41 H new ATOM 0 HD2 TYR A 55 20.524 -14.092 -20.505 1.00 21.21 H new ATOM 0 HE1 TYR A 55 18.713 -14.171 -25.078 1.00 51.44 H new ATOM 0 HE2 TYR A 55 20.879 -16.061 -21.929 1.00 13.13 H new ATOM 0 HH TYR A 55 20.530 -17.008 -23.894 1.00 1.41 H new ATOM 856 N LYS A 56 20.571 -8.997 -20.420 1.00 74.30 N ATOM 857 CA LYS A 56 20.785 -7.909 -19.474 1.00 12.03 C ATOM 858 C LYS A 56 20.640 -6.555 -20.160 1.00 44.43 C ATOM 859 O LYS A 56 20.278 -5.563 -19.527 1.00 44.11 O ATOM 860 CB LYS A 56 22.172 -8.025 -18.837 1.00 53.41 C ATOM 861 CG LYS A 56 22.318 -9.220 -17.912 1.00 4.15 C ATOM 862 CD LYS A 56 23.778 -9.582 -17.695 1.00 2.31 C ATOM 863 CE LYS A 56 24.447 -8.634 -16.712 1.00 4.34 C ATOM 864 NZ LYS A 56 25.912 -8.883 -16.610 1.00 40.22 N ATOM 0 H LYS A 56 21.421 -9.489 -20.696 1.00 74.30 H new ATOM 0 HA LYS A 56 20.027 -7.984 -18.695 1.00 12.03 H new ATOM 0 HB2 LYS A 56 22.921 -8.094 -19.626 1.00 53.41 H new ATOM 0 HB3 LYS A 56 22.382 -7.114 -18.276 1.00 53.41 H new ATOM 0 HG2 LYS A 56 21.851 -8.998 -16.953 1.00 4.15 H new ATOM 0 HG3 LYS A 56 21.789 -10.075 -18.334 1.00 4.15 H new ATOM 0 HD2 LYS A 56 23.849 -10.604 -17.322 1.00 2.31 H new ATOM 0 HD3 LYS A 56 24.307 -9.553 -18.648 1.00 2.31 H new ATOM 0 HE2 LYS A 56 24.275 -7.605 -17.026 1.00 4.34 H new ATOM 0 HE3 LYS A 56 23.990 -8.748 -15.729 1.00 4.34 H new ATOM 0 HZ1 LYS A 56 26.331 -8.217 -15.930 1.00 40.22 H new ATOM 0 HZ2 LYS A 56 26.077 -9.857 -16.286 1.00 40.22 H new ATOM 0 HZ3 LYS A 56 26.353 -8.749 -17.542 1.00 40.22 H new ATOM 878 N TRP A 57 20.924 -6.521 -21.457 1.00 50.02 N ATOM 879 CA TRP A 57 20.824 -5.288 -22.230 1.00 11.24 C ATOM 880 C TRP A 57 19.438 -5.145 -22.850 1.00 3.35 C ATOM 881 O TRP A 57 19.023 -4.045 -23.213 1.00 73.12 O ATOM 882 CB TRP A 57 21.891 -5.259 -23.325 1.00 25.55 C ATOM 883 CG TRP A 57 22.111 -3.895 -23.905 1.00 72.32 C ATOM 884 CD1 TRP A 57 22.786 -2.858 -23.328 1.00 50.22 C ATOM 885 CD2 TRP A 57 21.652 -3.421 -25.176 1.00 14.34 C ATOM 886 NE1 TRP A 57 22.774 -1.767 -24.163 1.00 41.24 N ATOM 887 CE2 TRP A 57 22.085 -2.087 -25.303 1.00 44.45 C ATOM 888 CE3 TRP A 57 20.918 -3.993 -26.218 1.00 63.32 C ATOM 889 CZ2 TRP A 57 21.808 -1.319 -26.431 1.00 52.13 C ATOM 890 CZ3 TRP A 57 20.643 -3.230 -27.337 1.00 3.12 C ATOM 891 CH2 TRP A 57 21.088 -1.905 -27.437 1.00 12.22 C ATOM 0 H TRP A 57 21.225 -7.333 -21.996 1.00 50.02 H new ATOM 0 HA TRP A 57 20.987 -4.450 -21.552 1.00 11.24 H new ATOM 0 HB2 TRP A 57 22.831 -5.628 -22.916 1.00 25.55 H new ATOM 0 HB3 TRP A 57 21.601 -5.943 -24.123 1.00 25.55 H new ATOM 0 HD1 TRP A 57 23.260 -2.890 -22.358 1.00 50.22 H new ATOM 0 HE1 TRP A 57 23.208 -0.865 -23.966 1.00 41.24 H new ATOM 0 HE3 TRP A 57 20.572 -5.014 -26.150 1.00 63.32 H new ATOM 0 HZ2 TRP A 57 22.149 -0.297 -26.509 1.00 52.13 H new ATOM 0 HZ3 TRP A 57 20.076 -3.662 -28.148 1.00 3.12 H new ATOM 0 HH2 TRP A 57 20.858 -1.335 -28.325 1.00 12.22 H new ATOM 902 N GLU A 58 18.729 -6.263 -22.966 1.00 55.44 N ATOM 903 CA GLU A 58 17.389 -6.260 -23.543 1.00 44.55 C ATOM 904 C GLU A 58 16.333 -6.027 -22.467 1.00 5.33 C ATOM 905 O GLU A 58 15.293 -5.421 -22.723 1.00 63.21 O ATOM 906 CB GLU A 58 17.117 -7.582 -24.263 1.00 31.22 C ATOM 907 CG GLU A 58 17.761 -7.672 -25.636 1.00 60.20 C ATOM 908 CD GLU A 58 16.807 -7.297 -26.754 1.00 22.34 C ATOM 909 OE1 GLU A 58 15.746 -6.710 -26.455 1.00 43.30 O ATOM 910 OE2 GLU A 58 17.121 -7.591 -27.926 1.00 31.42 O ATOM 0 H GLU A 58 19.059 -7.181 -22.669 1.00 55.44 H new ATOM 0 HA GLU A 58 17.334 -5.444 -24.264 1.00 44.55 H new ATOM 0 HB2 GLU A 58 17.481 -8.403 -23.646 1.00 31.22 H new ATOM 0 HB3 GLU A 58 16.040 -7.714 -24.367 1.00 31.22 H new ATOM 0 HG2 GLU A 58 18.630 -7.015 -25.669 1.00 60.20 H new ATOM 0 HG3 GLU A 58 18.123 -8.687 -25.798 1.00 60.20 H new ATOM 917 N ALA A 59 16.609 -6.513 -21.261 1.00 3.21 N ATOM 918 CA ALA A 59 15.685 -6.357 -20.145 1.00 10.13 C ATOM 919 C ALA A 59 15.593 -4.899 -19.708 1.00 13.22 C ATOM 920 O ALA A 59 14.505 -4.326 -19.651 1.00 54.12 O ATOM 921 CB ALA A 59 16.114 -7.233 -18.977 1.00 64.45 C ATOM 0 H ALA A 59 17.465 -7.018 -21.032 1.00 3.21 H new ATOM 0 HA ALA A 59 14.696 -6.673 -20.478 1.00 10.13 H new ATOM 0 HB1 ALA A 59 15.414 -7.106 -18.151 1.00 64.45 H new ATOM 0 HB2 ALA A 59 16.121 -8.277 -19.289 1.00 64.45 H new ATOM 0 HB3 ALA A 59 17.114 -6.944 -18.653 1.00 64.45 H new ATOM 927 N TRP A 60 16.740 -4.305 -19.399 1.00 71.15 N ATOM 928 CA TRP A 60 16.788 -2.913 -18.967 1.00 35.03 C ATOM 929 C TRP A 60 16.206 -1.991 -20.033 1.00 64.20 C ATOM 930 O TRP A 60 15.701 -0.913 -19.725 1.00 54.23 O ATOM 931 CB TRP A 60 18.227 -2.505 -18.651 1.00 44.44 C ATOM 932 CG TRP A 60 18.330 -1.189 -17.941 1.00 54.21 C ATOM 933 CD1 TRP A 60 17.356 -0.577 -17.205 1.00 34.14 C ATOM 934 CD2 TRP A 60 19.469 -0.322 -17.902 1.00 33.20 C ATOM 935 NE1 TRP A 60 17.821 0.618 -16.710 1.00 73.41 N ATOM 936 CE2 TRP A 60 19.114 0.797 -17.123 1.00 24.42 C ATOM 937 CE3 TRP A 60 20.754 -0.383 -18.447 1.00 72.43 C ATOM 938 CZ2 TRP A 60 19.999 1.843 -16.879 1.00 3.44 C ATOM 939 CZ3 TRP A 60 21.631 0.657 -18.204 1.00 73.42 C ATOM 940 CH2 TRP A 60 21.251 1.757 -17.425 1.00 11.50 C ATOM 0 H TRP A 60 17.649 -4.766 -19.440 1.00 71.15 H new ATOM 0 HA TRP A 60 16.185 -2.818 -18.064 1.00 35.03 H new ATOM 0 HB2 TRP A 60 18.690 -3.278 -18.037 1.00 44.44 H new ATOM 0 HB3 TRP A 60 18.795 -2.454 -19.580 1.00 44.44 H new ATOM 0 HD1 TRP A 60 16.366 -0.974 -17.037 1.00 34.14 H new ATOM 0 HE1 TRP A 60 17.289 1.266 -16.129 1.00 73.41 H new ATOM 0 HE3 TRP A 60 21.057 -1.228 -19.048 1.00 72.43 H new ATOM 0 HZ2 TRP A 60 19.708 2.693 -16.280 1.00 3.44 H new ATOM 0 HZ3 TRP A 60 22.626 0.621 -18.622 1.00 73.42 H new ATOM 0 HH2 TRP A 60 21.960 2.553 -17.252 1.00 11.50 H new ATOM 951 N ASN A 61 16.282 -2.423 -21.288 1.00 22.03 N ATOM 952 CA ASN A 61 15.763 -1.635 -22.400 1.00 24.11 C ATOM 953 C ASN A 61 14.286 -1.935 -22.636 1.00 42.25 C ATOM 954 O ASN A 61 13.547 -1.096 -23.151 1.00 70.30 O ATOM 955 CB ASN A 61 16.564 -1.922 -23.672 1.00 55.41 C ATOM 956 CG ASN A 61 16.035 -1.159 -24.872 1.00 31.14 C ATOM 957 OD1 ASN A 61 16.563 -0.108 -25.235 1.00 61.11 O ATOM 958 ND2 ASN A 61 14.986 -1.687 -25.493 1.00 4.33 N ATOM 0 H ASN A 61 16.698 -3.314 -21.560 1.00 22.03 H new ATOM 0 HA ASN A 61 15.864 -0.580 -22.145 1.00 24.11 H new ATOM 0 HB2 ASN A 61 17.609 -1.657 -23.508 1.00 55.41 H new ATOM 0 HB3 ASN A 61 16.535 -2.991 -23.883 1.00 55.41 H new ATOM 0 HD21 ASN A 61 14.586 -1.219 -26.306 1.00 4.33 H new ATOM 0 HD22 ASN A 61 14.581 -2.561 -25.157 1.00 4.33 H new ATOM 965 N ALA A 62 13.864 -3.136 -22.256 1.00 74.14 N ATOM 966 CA ALA A 62 12.475 -3.546 -22.424 1.00 51.25 C ATOM 967 C ALA A 62 11.556 -2.771 -21.486 1.00 4.23 C ATOM 968 O ALA A 62 10.360 -2.634 -21.744 1.00 32.31 O ATOM 969 CB ALA A 62 12.334 -5.042 -22.188 1.00 33.12 C ATOM 0 H ALA A 62 14.464 -3.842 -21.830 1.00 74.14 H new ATOM 0 HA ALA A 62 12.177 -3.322 -23.448 1.00 51.25 H new ATOM 0 HB1 ALA A 62 11.292 -5.334 -22.317 1.00 33.12 H new ATOM 0 HB2 ALA A 62 12.953 -5.583 -22.903 1.00 33.12 H new ATOM 0 HB3 ALA A 62 12.656 -5.282 -21.175 1.00 33.12 H new ATOM 975 N LEU A 63 12.123 -2.266 -20.395 1.00 52.33 N ATOM 976 CA LEU A 63 11.354 -1.504 -19.417 1.00 22.33 C ATOM 977 C LEU A 63 11.490 -0.005 -19.665 1.00 30.45 C ATOM 978 O LEU A 63 11.061 0.810 -18.848 1.00 51.12 O ATOM 979 CB LEU A 63 11.819 -1.843 -17.999 1.00 50.51 C ATOM 980 CG LEU A 63 11.190 -3.084 -17.365 1.00 4.21 C ATOM 981 CD1 LEU A 63 11.319 -4.281 -18.294 1.00 31.12 C ATOM 982 CD2 LEU A 63 11.835 -3.379 -16.019 1.00 21.44 C ATOM 0 H LEU A 63 13.111 -2.370 -20.166 1.00 52.33 H new ATOM 0 HA LEU A 63 10.304 -1.777 -19.524 1.00 22.33 H new ATOM 0 HB2 LEU A 63 12.901 -1.976 -18.015 1.00 50.51 H new ATOM 0 HB3 LEU A 63 11.613 -0.987 -17.356 1.00 50.51 H new ATOM 0 HG LEU A 63 10.130 -2.889 -17.203 1.00 4.21 H new ATOM 0 HD11 LEU A 63 10.866 -5.155 -17.826 1.00 31.12 H new ATOM 0 HD12 LEU A 63 10.811 -4.068 -19.234 1.00 31.12 H new ATOM 0 HD13 LEU A 63 12.373 -4.479 -18.488 1.00 31.12 H new ATOM 0 HD21 LEU A 63 11.375 -4.265 -15.582 1.00 21.44 H new ATOM 0 HD22 LEU A 63 12.902 -3.554 -16.157 1.00 21.44 H new ATOM 0 HD23 LEU A 63 11.690 -2.529 -15.352 1.00 21.44 H new ATOM 994 N ARG A 64 12.087 0.350 -20.797 1.00 45.12 N ATOM 995 CA ARG A 64 12.279 1.751 -21.153 1.00 74.11 C ATOM 996 C ARG A 64 10.964 2.520 -21.058 1.00 4.34 C ATOM 997 O ARG A 64 10.012 2.234 -21.782 1.00 13.25 O ATOM 998 CB ARG A 64 12.848 1.866 -22.568 1.00 50.53 C ATOM 999 CG ARG A 64 14.361 2.003 -22.607 1.00 23.33 C ATOM 1000 CD ARG A 64 14.862 2.252 -24.021 1.00 4.54 C ATOM 1001 NE ARG A 64 15.007 3.677 -24.306 1.00 45.32 N ATOM 1002 CZ ARG A 64 15.049 4.180 -25.535 1.00 42.01 C ATOM 1003 NH1 ARG A 64 14.957 3.378 -26.587 1.00 31.34 N ATOM 1004 NH2 ARG A 64 15.183 5.488 -25.714 1.00 30.00 N ATOM 0 H ARG A 64 12.446 -0.313 -21.484 1.00 45.12 H new ATOM 0 HA ARG A 64 12.987 2.186 -20.448 1.00 74.11 H new ATOM 0 HB2 ARG A 64 12.557 0.985 -23.140 1.00 50.53 H new ATOM 0 HB3 ARG A 64 12.401 2.729 -23.061 1.00 50.53 H new ATOM 0 HG2 ARG A 64 14.670 2.825 -21.961 1.00 23.33 H new ATOM 0 HG3 ARG A 64 14.820 1.097 -22.212 1.00 23.33 H new ATOM 0 HD2 ARG A 64 15.822 1.755 -24.158 1.00 4.54 H new ATOM 0 HD3 ARG A 64 14.168 1.808 -24.735 1.00 4.54 H new ATOM 0 HE ARG A 64 15.080 4.321 -23.519 1.00 45.32 H new ATOM 0 HH11 ARG A 64 14.854 2.372 -26.454 1.00 31.34 H new ATOM 0 HH12 ARG A 64 14.990 3.767 -27.529 1.00 31.34 H new ATOM 0 HH21 ARG A 64 15.254 6.108 -24.908 1.00 30.00 H new ATOM 0 HH22 ARG A 64 15.215 5.873 -26.658 1.00 30.00 H new ATOM 1018 N GLY A 65 10.921 3.499 -20.158 1.00 61.40 N ATOM 1019 CA GLY A 65 9.719 4.293 -19.984 1.00 5.42 C ATOM 1020 C GLY A 65 9.046 4.041 -18.649 1.00 51.15 C ATOM 1021 O GLY A 65 8.223 4.839 -18.202 1.00 33.23 O ATOM 0 H GLY A 65 11.697 3.756 -19.547 1.00 61.40 H new ATOM 0 HA2 GLY A 65 9.971 5.350 -20.067 1.00 5.42 H new ATOM 0 HA3 GLY A 65 9.019 4.068 -20.789 1.00 5.42 H new ATOM 1025 N MET A 66 9.395 2.928 -18.013 1.00 72.44 N ATOM 1026 CA MET A 66 8.817 2.572 -16.722 1.00 42.53 C ATOM 1027 C MET A 66 9.106 3.651 -15.683 1.00 20.44 C ATOM 1028 O MET A 66 10.086 4.387 -15.794 1.00 24.43 O ATOM 1029 CB MET A 66 9.368 1.227 -16.246 1.00 2.23 C ATOM 1030 CG MET A 66 8.415 0.467 -15.338 1.00 74.14 C ATOM 1031 SD MET A 66 8.438 -1.311 -15.640 1.00 54.40 S ATOM 1032 CE MET A 66 9.574 -1.855 -14.367 1.00 72.41 C ATOM 0 H MET A 66 10.075 2.257 -18.370 1.00 72.44 H new ATOM 0 HA MET A 66 7.737 2.490 -16.844 1.00 42.53 H new ATOM 0 HB2 MET A 66 9.599 0.610 -17.115 1.00 2.23 H new ATOM 0 HB3 MET A 66 10.306 1.395 -15.716 1.00 2.23 H new ATOM 0 HG2 MET A 66 8.680 0.659 -14.298 1.00 74.14 H new ATOM 0 HG3 MET A 66 7.402 0.843 -15.484 1.00 74.14 H new ATOM 0 HE1 MET A 66 9.831 -2.901 -14.532 1.00 72.41 H new ATOM 0 HE2 MET A 66 10.479 -1.249 -14.404 1.00 72.41 H new ATOM 0 HE3 MET A 66 9.104 -1.747 -13.390 1.00 72.41 H new ATOM 1042 N SER A 67 8.246 3.738 -14.673 1.00 1.13 N ATOM 1043 CA SER A 67 8.407 4.729 -13.615 1.00 41.34 C ATOM 1044 C SER A 67 9.119 4.125 -12.408 1.00 54.44 C ATOM 1045 O SER A 67 9.554 2.974 -12.441 1.00 21.12 O ATOM 1046 CB SER A 67 7.044 5.283 -13.194 1.00 64.32 C ATOM 1047 OG SER A 67 6.428 5.986 -14.259 1.00 44.11 O ATOM 0 H SER A 67 7.431 3.134 -14.565 1.00 1.13 H new ATOM 0 HA SER A 67 9.018 5.544 -14.004 1.00 41.34 H new ATOM 0 HB2 SER A 67 6.399 4.465 -12.873 1.00 64.32 H new ATOM 0 HB3 SER A 67 7.166 5.947 -12.338 1.00 64.32 H new ATOM 0 HG SER A 67 5.558 6.328 -13.965 1.00 44.11 H new ATOM 1053 N THR A 68 9.233 4.912 -11.342 1.00 63.44 N ATOM 1054 CA THR A 68 9.892 4.457 -10.125 1.00 23.23 C ATOM 1055 C THR A 68 8.979 3.545 -9.313 1.00 65.32 C ATOM 1056 O THR A 68 9.412 2.510 -8.807 1.00 63.04 O ATOM 1057 CB THR A 68 10.327 5.644 -9.244 1.00 63.35 C ATOM 1058 OG1 THR A 68 11.195 6.510 -9.984 1.00 55.33 O ATOM 1059 CG2 THR A 68 11.038 5.156 -7.991 1.00 61.01 C ATOM 0 H THR A 68 8.877 5.867 -11.298 1.00 63.44 H new ATOM 0 HA THR A 68 10.776 3.900 -10.434 1.00 23.23 H new ATOM 0 HB THR A 68 9.434 6.193 -8.945 1.00 63.35 H new ATOM 0 HG1 THR A 68 11.466 7.263 -9.418 1.00 55.33 H new ATOM 0 HG21 THR A 68 11.336 6.012 -7.385 1.00 61.01 H new ATOM 0 HG22 THR A 68 10.365 4.520 -7.415 1.00 61.01 H new ATOM 0 HG23 THR A 68 11.923 4.586 -8.274 1.00 61.01 H new ATOM 1067 N GLU A 69 7.714 3.936 -9.194 1.00 24.51 N ATOM 1068 CA GLU A 69 6.741 3.151 -8.443 1.00 10.40 C ATOM 1069 C GLU A 69 6.471 1.816 -9.131 1.00 13.31 C ATOM 1070 O GLU A 69 6.188 0.814 -8.475 1.00 23.22 O ATOM 1071 CB GLU A 69 5.434 3.932 -8.289 1.00 30.01 C ATOM 1072 CG GLU A 69 5.587 5.228 -7.511 1.00 43.20 C ATOM 1073 CD GLU A 69 4.284 5.695 -6.893 1.00 12.22 C ATOM 1074 OE1 GLU A 69 3.213 5.284 -7.387 1.00 11.40 O ATOM 1075 OE2 GLU A 69 4.334 6.471 -5.916 1.00 3.12 O ATOM 0 H GLU A 69 7.339 4.790 -9.607 1.00 24.51 H new ATOM 0 HA GLU A 69 7.156 2.953 -7.455 1.00 10.40 H new ATOM 0 HB2 GLU A 69 5.036 4.157 -9.279 1.00 30.01 H new ATOM 0 HB3 GLU A 69 4.701 3.301 -7.787 1.00 30.01 H new ATOM 0 HG2 GLU A 69 6.329 5.090 -6.724 1.00 43.20 H new ATOM 0 HG3 GLU A 69 5.968 6.003 -8.176 1.00 43.20 H new ATOM 1082 N SER A 70 6.559 1.812 -10.457 1.00 40.11 N ATOM 1083 CA SER A 70 6.320 0.602 -11.235 1.00 51.33 C ATOM 1084 C SER A 70 7.396 -0.443 -10.959 1.00 44.10 C ATOM 1085 O SER A 70 7.094 -1.603 -10.682 1.00 71.23 O ATOM 1086 CB SER A 70 6.283 0.930 -12.729 1.00 50.41 C ATOM 1087 OG SER A 70 5.069 1.571 -13.081 1.00 10.23 O ATOM 0 H SER A 70 6.794 2.633 -11.015 1.00 40.11 H new ATOM 0 HA SER A 70 5.355 0.192 -10.936 1.00 51.33 H new ATOM 0 HB2 SER A 70 7.125 1.574 -12.984 1.00 50.41 H new ATOM 0 HB3 SER A 70 6.395 0.014 -13.309 1.00 50.41 H new ATOM 0 HG SER A 70 5.071 1.771 -14.040 1.00 10.23 H new ATOM 1093 N ALA A 71 8.655 -0.022 -11.036 1.00 54.05 N ATOM 1094 CA ALA A 71 9.777 -0.920 -10.793 1.00 52.22 C ATOM 1095 C ALA A 71 9.776 -1.422 -9.353 1.00 74.45 C ATOM 1096 O ALA A 71 9.871 -2.624 -9.104 1.00 64.32 O ATOM 1097 CB ALA A 71 11.091 -0.220 -11.109 1.00 35.11 C ATOM 0 H ALA A 71 8.923 0.935 -11.265 1.00 54.05 H new ATOM 0 HA ALA A 71 9.670 -1.782 -11.451 1.00 52.22 H new ATOM 0 HB1 ALA A 71 11.921 -0.902 -10.923 1.00 35.11 H new ATOM 0 HB2 ALA A 71 11.099 0.084 -12.156 1.00 35.11 H new ATOM 0 HB3 ALA A 71 11.196 0.660 -10.475 1.00 35.11 H new ATOM 1103 N LYS A 72 9.667 -0.495 -8.408 1.00 64.01 N ATOM 1104 CA LYS A 72 9.653 -0.843 -6.992 1.00 62.13 C ATOM 1105 C LYS A 72 8.554 -1.857 -6.692 1.00 53.12 C ATOM 1106 O LYS A 72 8.766 -2.814 -5.949 1.00 65.20 O ATOM 1107 CB LYS A 72 9.451 0.412 -6.140 1.00 22.55 C ATOM 1108 CG LYS A 72 10.566 1.433 -6.287 1.00 32.25 C ATOM 1109 CD LYS A 72 10.129 2.807 -5.808 1.00 4.32 C ATOM 1110 CE LYS A 72 11.294 3.587 -5.216 1.00 34.12 C ATOM 1111 NZ LYS A 72 10.867 4.919 -4.705 1.00 74.02 N ATOM 0 H LYS A 72 9.587 0.504 -8.597 1.00 64.01 H new ATOM 0 HA LYS A 72 10.615 -1.292 -6.744 1.00 62.13 H new ATOM 0 HB2 LYS A 72 8.504 0.878 -6.414 1.00 22.55 H new ATOM 0 HB3 LYS A 72 9.372 0.121 -5.093 1.00 22.55 H new ATOM 0 HG2 LYS A 72 11.436 1.108 -5.717 1.00 32.25 H new ATOM 0 HG3 LYS A 72 10.872 1.491 -7.331 1.00 32.25 H new ATOM 0 HD2 LYS A 72 9.702 3.365 -6.641 1.00 4.32 H new ATOM 0 HD3 LYS A 72 9.344 2.700 -5.060 1.00 4.32 H new ATOM 0 HE2 LYS A 72 11.740 3.013 -4.404 1.00 34.12 H new ATOM 0 HE3 LYS A 72 12.065 3.719 -5.975 1.00 34.12 H new ATOM 0 HZ1 LYS A 72 11.707 5.497 -4.499 1.00 74.02 H new ATOM 0 HZ2 LYS A 72 10.286 5.396 -5.423 1.00 74.02 H new ATOM 0 HZ3 LYS A 72 10.310 4.795 -3.836 1.00 74.02 H new ATOM 1125 N GLU A 73 7.379 -1.640 -7.276 1.00 64.14 N ATOM 1126 CA GLU A 73 6.248 -2.536 -7.071 1.00 73.30 C ATOM 1127 C GLU A 73 6.563 -3.938 -7.587 1.00 12.44 C ATOM 1128 O GLU A 73 5.894 -4.907 -7.230 1.00 11.25 O ATOM 1129 CB GLU A 73 5.002 -1.991 -7.773 1.00 45.32 C ATOM 1130 CG GLU A 73 4.104 -1.168 -6.866 1.00 14.41 C ATOM 1131 CD GLU A 73 2.637 -1.291 -7.230 1.00 32.54 C ATOM 1132 OE1 GLU A 73 2.024 -2.322 -6.879 1.00 2.23 O ATOM 1133 OE2 GLU A 73 2.102 -0.359 -7.865 1.00 34.21 O ATOM 0 H GLU A 73 7.186 -0.852 -7.894 1.00 64.14 H new ATOM 0 HA GLU A 73 6.056 -2.596 -6.000 1.00 73.30 H new ATOM 0 HB2 GLU A 73 5.311 -1.377 -8.619 1.00 45.32 H new ATOM 0 HB3 GLU A 73 4.429 -2.825 -8.178 1.00 45.32 H new ATOM 0 HG2 GLU A 73 4.246 -1.487 -5.834 1.00 14.41 H new ATOM 0 HG3 GLU A 73 4.401 -0.121 -6.920 1.00 14.41 H new ATOM 1140 N ALA A 74 7.586 -4.035 -8.429 1.00 60.51 N ATOM 1141 CA ALA A 74 7.991 -5.317 -8.993 1.00 43.00 C ATOM 1142 C ALA A 74 9.063 -5.980 -8.135 1.00 31.35 C ATOM 1143 O ALA A 74 9.213 -7.202 -8.146 1.00 34.32 O ATOM 1144 CB ALA A 74 8.493 -5.132 -10.417 1.00 42.34 C ATOM 0 H ALA A 74 8.149 -3.242 -8.736 1.00 60.51 H new ATOM 0 HA ALA A 74 7.119 -5.971 -9.009 1.00 43.00 H new ATOM 0 HB1 ALA A 74 8.792 -6.097 -10.826 1.00 42.34 H new ATOM 0 HB2 ALA A 74 7.698 -4.709 -11.031 1.00 42.34 H new ATOM 0 HB3 ALA A 74 9.349 -4.457 -10.416 1.00 42.34 H new ATOM 1150 N TYR A 75 9.806 -5.167 -7.392 1.00 63.52 N ATOM 1151 CA TYR A 75 10.867 -5.676 -6.530 1.00 14.30 C ATOM 1152 C TYR A 75 10.285 -6.392 -5.315 1.00 74.23 C ATOM 1153 O TYR A 75 10.957 -7.202 -4.676 1.00 74.14 O ATOM 1154 CB TYR A 75 11.775 -4.532 -6.075 1.00 33.03 C ATOM 1155 CG TYR A 75 13.239 -4.904 -6.028 1.00 5.14 C ATOM 1156 CD1 TYR A 75 13.713 -5.826 -5.103 1.00 21.13 C ATOM 1157 CD2 TYR A 75 14.150 -4.334 -6.909 1.00 12.40 C ATOM 1158 CE1 TYR A 75 15.051 -6.168 -5.056 1.00 34.14 C ATOM 1159 CE2 TYR A 75 15.489 -4.671 -6.870 1.00 51.22 C ATOM 1160 CZ TYR A 75 15.935 -5.588 -5.941 1.00 75.05 C ATOM 1161 OH TYR A 75 17.267 -5.927 -5.899 1.00 25.22 O ATOM 0 H TYR A 75 9.693 -4.153 -7.369 1.00 63.52 H new ATOM 0 HA TYR A 75 11.455 -6.392 -7.104 1.00 14.30 H new ATOM 0 HB2 TYR A 75 11.645 -3.686 -6.750 1.00 33.03 H new ATOM 0 HB3 TYR A 75 11.461 -4.201 -5.085 1.00 33.03 H new ATOM 0 HD1 TYR A 75 13.024 -6.283 -4.409 1.00 21.13 H new ATOM 0 HD2 TYR A 75 13.805 -3.615 -7.637 1.00 12.40 H new ATOM 0 HE1 TYR A 75 15.403 -6.886 -4.330 1.00 34.14 H new ATOM 0 HE2 TYR A 75 16.183 -4.219 -7.563 1.00 51.22 H new ATOM 0 HH TYR A 75 17.813 -5.125 -6.039 1.00 25.22 H new ATOM 1171 N VAL A 76 9.029 -6.088 -5.002 1.00 50.04 N ATOM 1172 CA VAL A 76 8.354 -6.703 -3.866 1.00 32.11 C ATOM 1173 C VAL A 76 7.608 -7.964 -4.287 1.00 33.23 C ATOM 1174 O VAL A 76 7.489 -8.916 -3.515 1.00 0.13 O ATOM 1175 CB VAL A 76 7.360 -5.727 -3.208 1.00 61.31 C ATOM 1176 CG1 VAL A 76 6.825 -6.306 -1.907 1.00 60.12 C ATOM 1177 CG2 VAL A 76 8.019 -4.377 -2.969 1.00 71.14 C ATOM 0 H VAL A 76 8.459 -5.419 -5.520 1.00 50.04 H new ATOM 0 HA VAL A 76 9.126 -6.966 -3.143 1.00 32.11 H new ATOM 0 HB VAL A 76 6.519 -5.580 -3.885 1.00 61.31 H new ATOM 0 HG11 VAL A 76 6.125 -5.603 -1.457 1.00 60.12 H new ATOM 0 HG12 VAL A 76 6.314 -7.247 -2.111 1.00 60.12 H new ATOM 0 HG13 VAL A 76 7.653 -6.484 -1.220 1.00 60.12 H new ATOM 0 HG21 VAL A 76 7.303 -3.700 -2.504 1.00 71.14 H new ATOM 0 HG22 VAL A 76 8.879 -4.503 -2.311 1.00 71.14 H new ATOM 0 HG23 VAL A 76 8.348 -3.959 -3.920 1.00 71.14 H new ATOM 1187 N LYS A 77 7.106 -7.965 -5.517 1.00 70.31 N ATOM 1188 CA LYS A 77 6.372 -9.110 -6.044 1.00 1.04 C ATOM 1189 C LYS A 77 7.327 -10.147 -6.626 1.00 72.21 C ATOM 1190 O LYS A 77 7.195 -11.344 -6.364 1.00 51.43 O ATOM 1191 CB LYS A 77 5.379 -8.656 -7.116 1.00 43.10 C ATOM 1192 CG LYS A 77 4.084 -8.101 -6.550 1.00 34.43 C ATOM 1193 CD LYS A 77 3.067 -9.203 -6.301 1.00 70.15 C ATOM 1194 CE LYS A 77 2.166 -9.413 -7.509 1.00 43.20 C ATOM 1195 NZ LYS A 77 0.808 -9.877 -7.114 1.00 33.03 N ATOM 0 H LYS A 77 7.194 -7.185 -6.168 1.00 70.31 H new ATOM 0 HA LYS A 77 5.824 -9.569 -5.221 1.00 1.04 H new ATOM 0 HB2 LYS A 77 5.850 -7.894 -7.736 1.00 43.10 H new ATOM 0 HB3 LYS A 77 5.149 -9.500 -7.767 1.00 43.10 H new ATOM 0 HG2 LYS A 77 4.289 -7.576 -5.617 1.00 34.43 H new ATOM 0 HG3 LYS A 77 3.667 -7.369 -7.242 1.00 34.43 H new ATOM 0 HD2 LYS A 77 3.586 -10.132 -6.067 1.00 70.15 H new ATOM 0 HD3 LYS A 77 2.459 -8.950 -5.432 1.00 70.15 H new ATOM 0 HE2 LYS A 77 2.083 -8.480 -8.067 1.00 43.20 H new ATOM 0 HE3 LYS A 77 2.620 -10.145 -8.178 1.00 43.20 H new ATOM 0 HZ1 LYS A 77 0.225 -10.008 -7.965 1.00 33.03 H new ATOM 0 HZ2 LYS A 77 0.884 -10.780 -6.604 1.00 33.03 H new ATOM 0 HZ3 LYS A 77 0.365 -9.167 -6.497 1.00 33.03 H new ATOM 1209 N LEU A 78 8.288 -9.682 -7.416 1.00 5.15 N ATOM 1210 CA LEU A 78 9.267 -10.570 -8.034 1.00 41.51 C ATOM 1211 C LEU A 78 10.138 -11.241 -6.977 1.00 41.21 C ATOM 1212 O LEU A 78 10.360 -12.452 -7.018 1.00 4.32 O ATOM 1213 CB LEU A 78 10.145 -9.789 -9.014 1.00 72.32 C ATOM 1214 CG LEU A 78 11.070 -10.626 -9.899 1.00 3.53 C ATOM 1215 CD1 LEU A 78 12.292 -11.079 -9.114 1.00 74.44 C ATOM 1216 CD2 LEU A 78 10.325 -11.823 -10.468 1.00 74.44 C ATOM 0 H LEU A 78 8.411 -8.695 -7.644 1.00 5.15 H new ATOM 0 HA LEU A 78 8.726 -11.345 -8.577 1.00 41.51 H new ATOM 0 HB2 LEU A 78 9.496 -9.196 -9.659 1.00 72.32 H new ATOM 0 HB3 LEU A 78 10.756 -9.088 -8.445 1.00 72.32 H new ATOM 0 HG LEU A 78 11.406 -10.006 -10.730 1.00 3.53 H new ATOM 0 HD11 LEU A 78 12.939 -11.673 -9.759 1.00 74.44 H new ATOM 0 HD12 LEU A 78 12.839 -10.206 -8.756 1.00 74.44 H new ATOM 0 HD13 LEU A 78 11.975 -11.682 -8.263 1.00 74.44 H new ATOM 0 HD21 LEU A 78 10.999 -12.407 -11.095 1.00 74.44 H new ATOM 0 HD22 LEU A 78 9.959 -12.445 -9.651 1.00 74.44 H new ATOM 0 HD23 LEU A 78 9.482 -11.476 -11.066 1.00 74.44 H new ATOM 1228 N LEU A 79 10.627 -10.448 -6.030 1.00 42.43 N ATOM 1229 CA LEU A 79 11.472 -10.965 -4.960 1.00 24.12 C ATOM 1230 C LEU A 79 10.797 -12.134 -4.250 1.00 23.21 C ATOM 1231 O LEU A 79 11.466 -12.999 -3.683 1.00 13.21 O ATOM 1232 CB LEU A 79 11.790 -9.858 -3.954 1.00 5.42 C ATOM 1233 CG LEU A 79 12.668 -10.260 -2.768 1.00 12.12 C ATOM 1234 CD1 LEU A 79 13.882 -11.043 -3.243 1.00 50.42 C ATOM 1235 CD2 LEU A 79 13.098 -9.030 -1.981 1.00 61.24 C ATOM 0 H LEU A 79 10.453 -9.444 -5.982 1.00 42.43 H new ATOM 0 HA LEU A 79 12.401 -11.321 -5.405 1.00 24.12 H new ATOM 0 HB2 LEU A 79 12.282 -9.043 -4.485 1.00 5.42 H new ATOM 0 HB3 LEU A 79 10.850 -9.465 -3.567 1.00 5.42 H new ATOM 0 HG LEU A 79 12.083 -10.902 -2.109 1.00 12.12 H new ATOM 0 HD11 LEU A 79 14.495 -11.320 -2.385 1.00 50.42 H new ATOM 0 HD12 LEU A 79 13.554 -11.944 -3.761 1.00 50.42 H new ATOM 0 HD13 LEU A 79 14.469 -10.427 -3.924 1.00 50.42 H new ATOM 0 HD21 LEU A 79 13.722 -9.335 -1.141 1.00 61.24 H new ATOM 0 HD22 LEU A 79 13.665 -8.362 -2.630 1.00 61.24 H new ATOM 0 HD23 LEU A 79 12.216 -8.510 -1.608 1.00 61.24 H new ATOM 1247 N ASP A 80 9.470 -12.155 -4.287 1.00 34.00 N ATOM 1248 CA ASP A 80 8.703 -13.220 -3.650 1.00 5.10 C ATOM 1249 C ASP A 80 9.033 -14.573 -4.272 1.00 60.30 C ATOM 1250 O ASP A 80 8.881 -15.616 -3.634 1.00 43.14 O ATOM 1251 CB ASP A 80 7.204 -12.941 -3.770 1.00 45.12 C ATOM 1252 CG ASP A 80 6.372 -13.867 -2.906 1.00 20.24 C ATOM 1253 OD1 ASP A 80 6.634 -13.936 -1.687 1.00 3.42 O ATOM 1254 OD2 ASP A 80 5.459 -14.524 -3.448 1.00 33.30 O ATOM 0 H ASP A 80 8.902 -11.447 -4.752 1.00 34.00 H new ATOM 0 HA ASP A 80 8.975 -13.249 -2.595 1.00 5.10 H new ATOM 0 HB2 ASP A 80 7.006 -11.908 -3.485 1.00 45.12 H new ATOM 0 HB3 ASP A 80 6.899 -13.049 -4.811 1.00 45.12 H new ATOM 1259 N THR A 81 9.484 -14.550 -5.522 1.00 63.24 N ATOM 1260 CA THR A 81 9.833 -15.775 -6.232 1.00 1.42 C ATOM 1261 C THR A 81 11.234 -16.245 -5.860 1.00 25.20 C ATOM 1262 O THR A 81 11.560 -17.426 -5.994 1.00 0.43 O ATOM 1263 CB THR A 81 9.757 -15.581 -7.758 1.00 50.30 C ATOM 1264 OG1 THR A 81 9.537 -16.841 -8.402 1.00 2.24 O ATOM 1265 CG2 THR A 81 11.036 -14.951 -8.288 1.00 24.20 C ATOM 0 H THR A 81 9.616 -13.696 -6.064 1.00 63.24 H new ATOM 0 HA THR A 81 9.107 -16.531 -5.933 1.00 1.42 H new ATOM 0 HB THR A 81 8.924 -14.912 -7.976 1.00 50.30 H new ATOM 0 HG1 THR A 81 9.488 -16.709 -9.372 1.00 2.24 H new ATOM 0 HG21 THR A 81 10.959 -14.824 -9.368 1.00 24.20 H new ATOM 0 HG22 THR A 81 11.185 -13.979 -7.818 1.00 24.20 H new ATOM 0 HG23 THR A 81 11.883 -15.598 -8.059 1.00 24.20 H new ATOM 1273 N LEU A 82 12.061 -15.316 -5.392 1.00 73.12 N ATOM 1274 CA LEU A 82 13.429 -15.636 -5.000 1.00 33.44 C ATOM 1275 C LEU A 82 13.500 -16.001 -3.520 1.00 54.41 C ATOM 1276 O LEU A 82 13.932 -17.095 -3.160 1.00 43.02 O ATOM 1277 CB LEU A 82 14.354 -14.453 -5.290 1.00 71.42 C ATOM 1278 CG LEU A 82 14.397 -13.976 -6.742 1.00 63.13 C ATOM 1279 CD1 LEU A 82 14.278 -12.462 -6.810 1.00 52.42 C ATOM 1280 CD2 LEU A 82 15.678 -14.443 -7.419 1.00 51.20 C ATOM 0 H LEU A 82 11.808 -14.335 -5.275 1.00 73.12 H new ATOM 0 HA LEU A 82 13.756 -16.496 -5.584 1.00 33.44 H new ATOM 0 HB2 LEU A 82 14.048 -13.616 -4.662 1.00 71.42 H new ATOM 0 HB3 LEU A 82 15.365 -14.725 -4.988 1.00 71.42 H new ATOM 0 HG LEU A 82 13.550 -14.411 -7.272 1.00 63.13 H new ATOM 0 HD11 LEU A 82 14.311 -12.141 -7.851 1.00 52.42 H new ATOM 0 HD12 LEU A 82 13.334 -12.151 -6.364 1.00 52.42 H new ATOM 0 HD13 LEU A 82 15.105 -12.007 -6.264 1.00 52.42 H new ATOM 0 HD21 LEU A 82 15.692 -14.095 -8.452 1.00 51.20 H new ATOM 0 HD22 LEU A 82 16.539 -14.037 -6.888 1.00 51.20 H new ATOM 0 HD23 LEU A 82 15.722 -15.532 -7.403 1.00 51.20 H new ATOM 1292 N ALA A 83 13.070 -15.076 -2.667 1.00 73.43 N ATOM 1293 CA ALA A 83 13.080 -15.302 -1.227 1.00 44.23 C ATOM 1294 C ALA A 83 11.841 -14.705 -0.569 1.00 21.10 C ATOM 1295 O ALA A 83 11.862 -13.590 -0.047 1.00 73.13 O ATOM 1296 CB ALA A 83 14.342 -14.716 -0.611 1.00 11.33 C ATOM 0 H ALA A 83 12.711 -14.164 -2.949 1.00 73.43 H new ATOM 0 HA ALA A 83 13.069 -16.378 -1.052 1.00 44.23 H new ATOM 0 HB1 ALA A 83 14.337 -14.892 0.465 1.00 11.33 H new ATOM 0 HB2 ALA A 83 15.217 -15.192 -1.052 1.00 11.33 H new ATOM 0 HB3 ALA A 83 14.377 -13.644 -0.803 1.00 11.33 H new ATOM 1302 N PRO A 84 10.734 -15.463 -0.593 1.00 45.41 N ATOM 1303 CA PRO A 84 9.465 -15.028 -0.003 1.00 32.31 C ATOM 1304 C PRO A 84 9.519 -14.983 1.520 1.00 21.23 C ATOM 1305 O PRO A 84 8.573 -14.541 2.172 1.00 72.22 O ATOM 1306 CB PRO A 84 8.473 -16.096 -0.471 1.00 55.43 C ATOM 1307 CG PRO A 84 9.306 -17.306 -0.716 1.00 34.22 C ATOM 1308 CD PRO A 84 10.638 -16.802 -1.198 1.00 14.21 C ATOM 0 HA PRO A 84 9.199 -14.016 -0.308 1.00 32.31 H new ATOM 0 HB2 PRO A 84 7.711 -16.287 0.285 1.00 55.43 H new ATOM 0 HB3 PRO A 84 7.953 -15.784 -1.377 1.00 55.43 H new ATOM 0 HG2 PRO A 84 9.418 -17.894 0.195 1.00 34.22 H new ATOM 0 HG3 PRO A 84 8.842 -17.955 -1.459 1.00 34.22 H new ATOM 0 HD2 PRO A 84 11.454 -17.449 -0.875 1.00 14.21 H new ATOM 0 HD3 PRO A 84 10.680 -16.756 -2.286 1.00 14.21 H new ATOM 1316 N SER A 85 10.633 -15.443 2.082 1.00 15.22 N ATOM 1317 CA SER A 85 10.808 -15.458 3.530 1.00 45.24 C ATOM 1318 C SER A 85 11.035 -14.047 4.064 1.00 14.20 C ATOM 1319 O SER A 85 11.081 -13.830 5.275 1.00 72.11 O ATOM 1320 CB SER A 85 11.987 -16.355 3.912 1.00 20.21 C ATOM 1321 OG SER A 85 12.163 -16.394 5.318 1.00 61.43 O ATOM 0 H SER A 85 11.427 -15.810 1.557 1.00 15.22 H new ATOM 0 HA SER A 85 9.897 -15.855 3.978 1.00 45.24 H new ATOM 0 HB2 SER A 85 11.818 -17.364 3.535 1.00 20.21 H new ATOM 0 HB3 SER A 85 12.897 -15.986 3.438 1.00 20.21 H new ATOM 0 HG SER A 85 11.825 -15.563 5.713 1.00 61.43 H new ATOM 1327 N TRP A 86 11.175 -13.092 3.152 1.00 11.52 N ATOM 1328 CA TRP A 86 11.397 -11.700 3.531 1.00 75.52 C ATOM 1329 C TRP A 86 10.084 -11.023 3.909 1.00 73.44 C ATOM 1330 O TRP A 86 10.064 -10.094 4.716 1.00 32.42 O ATOM 1331 CB TRP A 86 12.066 -10.939 2.386 1.00 62.24 C ATOM 1332 CG TRP A 86 11.102 -10.476 1.336 1.00 14.44 C ATOM 1333 CD1 TRP A 86 10.270 -11.256 0.585 1.00 22.21 C ATOM 1334 CD2 TRP A 86 10.871 -9.125 0.922 1.00 54.15 C ATOM 1335 NE1 TRP A 86 9.536 -10.472 -0.272 1.00 22.01 N ATOM 1336 CE2 TRP A 86 9.885 -9.161 -0.085 1.00 3.25 C ATOM 1337 CE3 TRP A 86 11.398 -7.889 1.303 1.00 5.43 C ATOM 1338 CZ2 TRP A 86 9.420 -8.008 -0.712 1.00 64.22 C ATOM 1339 CZ3 TRP A 86 10.936 -6.746 0.679 1.00 3.41 C ATOM 1340 CH2 TRP A 86 9.955 -6.811 -0.319 1.00 31.52 C ATOM 0 H TRP A 86 11.139 -13.255 2.146 1.00 11.52 H new ATOM 0 HA TRP A 86 12.055 -11.686 4.400 1.00 75.52 H new ATOM 0 HB2 TRP A 86 12.592 -10.075 2.792 1.00 62.24 H new ATOM 0 HB3 TRP A 86 12.816 -11.580 1.923 1.00 62.24 H new ATOM 0 HD1 TRP A 86 10.199 -12.331 0.654 1.00 22.21 H new ATOM 0 HE1 TRP A 86 8.843 -10.811 -0.939 1.00 22.01 H new ATOM 0 HE3 TRP A 86 12.154 -7.828 2.072 1.00 5.43 H new ATOM 0 HZ2 TRP A 86 8.664 -8.056 -1.481 1.00 64.22 H new ATOM 0 HZ3 TRP A 86 11.338 -5.786 0.966 1.00 3.41 H new ATOM 0 HH2 TRP A 86 9.614 -5.899 -0.787 1.00 31.52 H new ATOM 1351 N ARG A 87 8.989 -11.494 3.320 1.00 21.30 N ATOM 1352 CA ARG A 87 7.672 -10.933 3.595 1.00 41.21 C ATOM 1353 C ARG A 87 6.995 -11.672 4.745 1.00 21.23 C ATOM 1354 O ARG A 87 6.235 -11.083 5.512 1.00 34.53 O ATOM 1355 CB ARG A 87 6.794 -11.001 2.344 1.00 0.30 C ATOM 1356 CG ARG A 87 6.678 -12.398 1.756 1.00 4.41 C ATOM 1357 CD ARG A 87 5.558 -12.480 0.731 1.00 2.30 C ATOM 1358 NE ARG A 87 5.711 -11.485 -0.327 1.00 51.04 N ATOM 1359 CZ ARG A 87 4.760 -11.198 -1.209 1.00 73.11 C ATOM 1360 NH1 ARG A 87 3.593 -11.827 -1.159 1.00 44.30 N ATOM 1361 NH2 ARG A 87 4.974 -10.280 -2.143 1.00 60.30 N ATOM 0 H ARG A 87 8.988 -12.263 2.649 1.00 21.30 H new ATOM 0 HA ARG A 87 7.802 -9.890 3.883 1.00 41.21 H new ATOM 0 HB2 ARG A 87 5.797 -10.636 2.590 1.00 0.30 H new ATOM 0 HB3 ARG A 87 7.202 -10.330 1.588 1.00 0.30 H new ATOM 0 HG2 ARG A 87 7.622 -12.676 1.288 1.00 4.41 H new ATOM 0 HG3 ARG A 87 6.495 -13.116 2.555 1.00 4.41 H new ATOM 0 HD2 ARG A 87 5.541 -13.477 0.291 1.00 2.30 H new ATOM 0 HD3 ARG A 87 4.599 -12.335 1.229 1.00 2.30 H new ATOM 0 HE ARG A 87 6.596 -10.983 -0.392 1.00 51.04 H new ATOM 0 HH11 ARG A 87 3.424 -12.533 -0.442 1.00 44.30 H new ATOM 0 HH12 ARG A 87 2.864 -11.605 -1.837 1.00 44.30 H new ATOM 0 HH21 ARG A 87 5.870 -9.794 -2.184 1.00 60.30 H new ATOM 0 HH22 ARG A 87 4.243 -10.061 -2.820 1.00 60.30 H new ATOM 1375 N ASN A 88 7.277 -12.966 4.858 1.00 64.11 N ATOM 1376 CA ASN A 88 6.695 -13.786 5.914 1.00 60.42 C ATOM 1377 C ASN A 88 7.759 -14.655 6.577 1.00 23.13 C ATOM 1378 O ASN A 88 7.476 -15.384 7.528 1.00 55.42 O ATOM 1379 CB ASN A 88 5.581 -14.669 5.347 1.00 41.21 C ATOM 1380 CG ASN A 88 6.112 -15.959 4.752 1.00 33.02 C ATOM 1381 OD1 ASN A 88 6.592 -15.887 3.516 1.00 42.43 O flip ATOM 1382 ND2 ASN A 88 6.090 -17.008 5.397 1.00 12.01 N flip ATOM 0 H ASN A 88 7.905 -13.469 4.231 1.00 64.11 H new ATOM 0 HA ASN A 88 6.274 -13.119 6.667 1.00 60.42 H new ATOM 0 HB2 ASN A 88 4.869 -14.903 6.138 1.00 41.21 H new ATOM 0 HB3 ASN A 88 5.037 -14.116 4.581 1.00 41.21 H new ATOM 0 HD21 ASN A 88 5.712 -17.016 6.344 1.00 12.01 H new ATOM 0 HD22 ASN A 88 6.450 -17.868 4.984 1.00 12.01 H new