USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 534 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 53:sc= 0.316 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0592) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 171:sc= 1.17 USER MOD Single : A 15 GLN : amide:sc= -0.656 K(o=-0.66,f=-4.4!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.364 X(o=-0.36,f=-0.36) USER MOD Single : A 21 SER OG : rot 180:sc= 0.022 USER MOD Single : A 22 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.597) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0101 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -116:sc= -0.281 (180deg=-1.8!) USER MOD Single : A 62 LYS NZ :NH3+ -159:sc= -0.15 (180deg=-0.927) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.999 9.570 -3.870 1.00 0.00 N ATOM 2 CA GLY A 1 -11.019 10.380 -3.169 1.00 0.00 C ATOM 3 C GLY A 1 -10.741 11.692 -3.875 1.00 0.00 C ATOM 4 O GLY A 1 -10.237 11.705 -4.999 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.154 8.684 -3.348 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.895 10.093 -3.940 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.650 9.352 -4.825 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.375 10.583 -2.159 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.090 9.818 -3.073 1.00 0.00 H new ATOM 8 N SER A 2 -11.070 12.798 -3.216 1.00 0.00 N ATOM 9 CA SER A 2 -10.857 14.121 -3.791 1.00 0.00 C ATOM 10 C SER A 2 -9.368 14.439 -3.886 1.00 0.00 C ATOM 11 O SER A 2 -8.848 14.715 -4.967 1.00 0.00 O ATOM 12 CB SER A 2 -11.563 15.186 -2.949 1.00 0.00 C ATOM 13 OG SER A 2 -11.308 16.486 -3.451 1.00 0.00 O ATOM 0 H SER A 2 -11.485 12.804 -2.284 1.00 0.00 H new ATOM 0 HA SER A 2 -11.277 14.124 -4.797 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.637 14.998 -2.946 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.225 15.119 -1.915 1.00 0.00 H new ATOM 0 HG SER A 2 -11.772 17.148 -2.896 1.00 0.00 H new ATOM 19 N SER A 3 -8.686 14.398 -2.745 1.00 0.00 N ATOM 20 CA SER A 3 -7.257 14.685 -2.697 1.00 0.00 C ATOM 21 C SER A 3 -6.519 13.959 -3.818 1.00 0.00 C ATOM 22 O SER A 3 -6.979 12.931 -4.314 1.00 0.00 O ATOM 23 CB SER A 3 -6.679 14.278 -1.341 1.00 0.00 C ATOM 24 OG SER A 3 -7.124 15.146 -0.314 1.00 0.00 O ATOM 0 H SER A 3 -9.100 14.169 -1.842 1.00 0.00 H new ATOM 0 HA SER A 3 -7.122 15.758 -2.833 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.974 13.255 -1.109 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.590 14.293 -1.387 1.00 0.00 H new ATOM 0 HG SER A 3 -6.741 14.863 0.543 1.00 0.00 H new ATOM 30 N GLY A 4 -5.371 14.502 -4.210 1.00 0.00 N ATOM 31 CA GLY A 4 -4.587 13.892 -5.270 1.00 0.00 C ATOM 32 C GLY A 4 -3.502 12.980 -4.735 1.00 0.00 C ATOM 33 O GLY A 4 -3.788 11.905 -4.208 1.00 0.00 O ATOM 0 H GLY A 4 -4.970 15.352 -3.814 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.247 13.322 -5.924 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.133 14.674 -5.878 1.00 0.00 H new ATOM 37 N SER A 5 -2.250 13.409 -4.871 1.00 0.00 N ATOM 38 CA SER A 5 -1.117 12.619 -4.403 1.00 0.00 C ATOM 39 C SER A 5 -0.543 13.203 -3.115 1.00 0.00 C ATOM 40 O SER A 5 0.458 13.918 -3.137 1.00 0.00 O ATOM 41 CB SER A 5 -0.030 12.561 -5.477 1.00 0.00 C ATOM 42 OG SER A 5 0.317 13.861 -5.923 1.00 0.00 O ATOM 0 H SER A 5 -1.996 14.298 -5.301 1.00 0.00 H new ATOM 0 HA SER A 5 -1.470 11.608 -4.199 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.853 12.062 -5.078 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.379 11.965 -6.320 1.00 0.00 H new ATOM 0 HG SER A 5 0.542 14.422 -5.152 1.00 0.00 H new ATOM 48 N SER A 6 -1.186 12.893 -1.994 1.00 0.00 N ATOM 49 CA SER A 6 -0.744 13.388 -0.696 1.00 0.00 C ATOM 50 C SER A 6 -0.662 12.254 0.320 1.00 0.00 C ATOM 51 O SER A 6 -1.570 12.061 1.128 1.00 0.00 O ATOM 52 CB SER A 6 -1.696 14.473 -0.190 1.00 0.00 C ATOM 53 OG SER A 6 -1.284 15.758 -0.625 1.00 0.00 O ATOM 0 H SER A 6 -2.016 12.301 -1.959 1.00 0.00 H new ATOM 0 HA SER A 6 0.251 13.815 -0.818 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.706 14.271 -0.548 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.733 14.449 0.899 1.00 0.00 H new ATOM 0 HG SER A 6 -1.910 16.433 -0.290 1.00 0.00 H new ATOM 59 N GLY A 7 0.435 11.503 0.272 1.00 0.00 N ATOM 60 CA GLY A 7 0.617 10.396 1.193 1.00 0.00 C ATOM 61 C GLY A 7 1.778 10.618 2.143 1.00 0.00 C ATOM 62 O GLY A 7 2.313 11.721 2.232 1.00 0.00 O ATOM 0 H GLY A 7 1.200 11.642 -0.388 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.297 10.252 1.769 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.785 9.480 0.627 1.00 0.00 H new ATOM 66 N GLU A 8 2.165 9.565 2.856 1.00 0.00 N ATOM 67 CA GLU A 8 3.267 9.650 3.806 1.00 0.00 C ATOM 68 C GLU A 8 4.450 8.803 3.345 1.00 0.00 C ATOM 69 O GLU A 8 5.595 9.255 3.367 1.00 0.00 O ATOM 70 CB GLU A 8 2.811 9.197 5.195 1.00 0.00 C ATOM 71 CG GLU A 8 1.643 9.998 5.744 1.00 0.00 C ATOM 72 CD GLU A 8 1.848 11.494 5.611 1.00 0.00 C ATOM 73 OE1 GLU A 8 2.794 12.020 6.234 1.00 0.00 O ATOM 74 OE2 GLU A 8 1.064 12.139 4.885 1.00 0.00 O ATOM 0 H GLU A 8 1.732 8.644 2.794 1.00 0.00 H new ATOM 0 HA GLU A 8 3.586 10.691 3.859 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.530 8.145 5.150 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.650 9.274 5.886 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.732 9.712 5.218 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.497 9.747 6.795 1.00 0.00 H new ATOM 81 N GLU A 9 4.163 7.573 2.931 1.00 0.00 N ATOM 82 CA GLU A 9 5.203 6.662 2.466 1.00 0.00 C ATOM 83 C GLU A 9 4.700 5.808 1.306 1.00 0.00 C ATOM 84 O GLU A 9 3.839 4.946 1.483 1.00 0.00 O ATOM 85 CB GLU A 9 5.673 5.762 3.611 1.00 0.00 C ATOM 86 CG GLU A 9 6.596 6.460 4.594 1.00 0.00 C ATOM 87 CD GLU A 9 7.339 5.487 5.489 1.00 0.00 C ATOM 88 OE1 GLU A 9 7.907 4.509 4.960 1.00 0.00 O ATOM 89 OE2 GLU A 9 7.352 5.704 6.719 1.00 0.00 O ATOM 0 H GLU A 9 3.220 7.184 2.908 1.00 0.00 H new ATOM 0 HA GLU A 9 6.044 7.260 2.115 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.802 5.386 4.148 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.188 4.897 3.194 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.317 7.064 4.043 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.013 7.143 5.212 1.00 0.00 H new ATOM 96 N LYS A 10 5.242 6.055 0.118 1.00 0.00 N ATOM 97 CA LYS A 10 4.850 5.310 -1.071 1.00 0.00 C ATOM 98 C LYS A 10 5.584 3.974 -1.143 1.00 0.00 C ATOM 99 O LYS A 10 6.798 3.932 -1.345 1.00 0.00 O ATOM 100 CB LYS A 10 5.139 6.130 -2.331 1.00 0.00 C ATOM 101 CG LYS A 10 4.080 7.176 -2.630 1.00 0.00 C ATOM 102 CD LYS A 10 4.115 7.602 -4.089 1.00 0.00 C ATOM 103 CE LYS A 10 3.440 8.951 -4.292 1.00 0.00 C ATOM 104 NZ LYS A 10 4.290 10.075 -3.812 1.00 0.00 N ATOM 0 H LYS A 10 5.955 6.766 -0.046 1.00 0.00 H new ATOM 0 HA LYS A 10 3.779 5.114 -1.009 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.104 6.624 -2.220 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.222 5.455 -3.183 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.095 6.777 -2.390 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.236 8.046 -1.992 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.149 7.657 -4.429 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.618 6.849 -4.701 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.218 9.090 -5.350 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.488 8.964 -3.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.867 10.979 -4.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.356 10.042 -2.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.242 9.990 -4.222 1.00 0.00 H new ATOM 118 N TYR A 11 4.839 2.886 -0.978 1.00 0.00 N ATOM 119 CA TYR A 11 5.421 1.549 -1.023 1.00 0.00 C ATOM 120 C TYR A 11 5.130 0.874 -2.360 1.00 0.00 C ATOM 121 O TYR A 11 4.484 1.453 -3.234 1.00 0.00 O ATOM 122 CB TYR A 11 4.874 0.695 0.122 1.00 0.00 C ATOM 123 CG TYR A 11 5.697 0.780 1.388 1.00 0.00 C ATOM 124 CD1 TYR A 11 5.872 1.992 2.045 1.00 0.00 C ATOM 125 CD2 TYR A 11 6.301 -0.350 1.926 1.00 0.00 C ATOM 126 CE1 TYR A 11 6.624 2.075 3.202 1.00 0.00 C ATOM 127 CE2 TYR A 11 7.052 -0.277 3.082 1.00 0.00 C ATOM 128 CZ TYR A 11 7.212 0.938 3.716 1.00 0.00 C ATOM 129 OH TYR A 11 7.961 1.016 4.868 1.00 0.00 O ATOM 0 H TYR A 11 3.833 2.903 -0.812 1.00 0.00 H new ATOM 0 HA TYR A 11 6.501 1.645 -0.913 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.853 1.007 0.341 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.827 -0.345 -0.202 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.413 2.884 1.645 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.181 -1.302 1.431 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.750 3.025 3.701 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.512 -1.166 3.488 1.00 0.00 H new ATOM 0 HH TYR A 11 8.304 0.127 5.096 1.00 0.00 H new ATOM 139 N VAL A 12 5.611 -0.356 -2.511 1.00 0.00 N ATOM 140 CA VAL A 12 5.402 -1.113 -3.739 1.00 0.00 C ATOM 141 C VAL A 12 4.919 -2.527 -3.438 1.00 0.00 C ATOM 142 O VAL A 12 5.329 -3.140 -2.452 1.00 0.00 O ATOM 143 CB VAL A 12 6.693 -1.191 -4.576 1.00 0.00 C ATOM 144 CG1 VAL A 12 6.493 -2.093 -5.784 1.00 0.00 C ATOM 145 CG2 VAL A 12 7.133 0.200 -5.007 1.00 0.00 C ATOM 0 H VAL A 12 6.148 -0.849 -1.798 1.00 0.00 H new ATOM 0 HA VAL A 12 4.638 -0.585 -4.310 1.00 0.00 H new ATOM 0 HB VAL A 12 7.481 -1.622 -3.957 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.416 -2.136 -6.363 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.228 -3.096 -5.449 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.692 -1.695 -6.407 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.046 0.126 -5.597 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.349 0.660 -5.608 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.320 0.812 -4.125 1.00 0.00 H new ATOM 155 N THR A 13 4.043 -3.042 -4.296 1.00 0.00 N ATOM 156 CA THR A 13 3.502 -4.384 -4.122 1.00 0.00 C ATOM 157 C THR A 13 4.303 -5.407 -4.918 1.00 0.00 C ATOM 158 O THR A 13 4.567 -5.217 -6.106 1.00 0.00 O ATOM 159 CB THR A 13 2.026 -4.455 -4.556 1.00 0.00 C ATOM 160 OG1 THR A 13 1.916 -4.218 -5.963 1.00 0.00 O ATOM 161 CG2 THR A 13 1.190 -3.435 -3.797 1.00 0.00 C ATOM 0 H THR A 13 3.693 -2.550 -5.118 1.00 0.00 H new ATOM 0 HA THR A 13 3.573 -4.618 -3.060 1.00 0.00 H new ATOM 0 HB THR A 13 1.651 -5.452 -4.327 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.001 -4.411 -6.257 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.151 -3.503 -4.120 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.252 -3.637 -2.728 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.567 -2.433 -3.999 1.00 0.00 H new ATOM 169 N VAL A 14 4.689 -6.494 -4.258 1.00 0.00 N ATOM 170 CA VAL A 14 5.460 -7.549 -4.906 1.00 0.00 C ATOM 171 C VAL A 14 4.565 -8.719 -5.300 1.00 0.00 C ATOM 172 O VAL A 14 4.983 -9.610 -6.040 1.00 0.00 O ATOM 173 CB VAL A 14 6.586 -8.064 -3.991 1.00 0.00 C ATOM 174 CG1 VAL A 14 7.633 -6.982 -3.772 1.00 0.00 C ATOM 175 CG2 VAL A 14 6.017 -8.543 -2.664 1.00 0.00 C ATOM 0 H VAL A 14 4.481 -6.667 -3.275 1.00 0.00 H new ATOM 0 HA VAL A 14 5.902 -7.114 -5.803 1.00 0.00 H new ATOM 0 HB VAL A 14 7.069 -8.910 -4.480 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.421 -7.364 -3.123 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.062 -6.691 -4.731 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.167 -6.114 -3.305 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.827 -8.904 -2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.507 -7.717 -2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.309 -9.352 -2.843 1.00 0.00 H new ATOM 185 N GLN A 15 3.333 -8.710 -4.801 1.00 0.00 N ATOM 186 CA GLN A 15 2.380 -9.772 -5.101 1.00 0.00 C ATOM 187 C GLN A 15 0.956 -9.229 -5.148 1.00 0.00 C ATOM 188 O GLN A 15 0.584 -8.331 -4.392 1.00 0.00 O ATOM 189 CB GLN A 15 2.480 -10.885 -4.057 1.00 0.00 C ATOM 190 CG GLN A 15 3.751 -11.711 -4.166 1.00 0.00 C ATOM 191 CD GLN A 15 3.715 -12.690 -5.323 1.00 0.00 C ATOM 192 OE1 GLN A 15 3.429 -12.314 -6.461 1.00 0.00 O ATOM 193 NE2 GLN A 15 4.003 -13.954 -5.039 1.00 0.00 N ATOM 0 H GLN A 15 2.972 -7.980 -4.188 1.00 0.00 H new ATOM 0 HA GLN A 15 2.626 -10.180 -6.082 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.428 -10.443 -3.062 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.618 -11.545 -4.158 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.604 -11.043 -4.287 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.904 -12.259 -3.236 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.234 -14.222 -4.082 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.993 -14.658 -5.777 1.00 0.00 H new ATOM 202 N PRO A 16 0.141 -9.782 -6.056 1.00 0.00 N ATOM 203 CA PRO A 16 -1.256 -9.368 -6.224 1.00 0.00 C ATOM 204 C PRO A 16 -2.129 -9.783 -5.043 1.00 0.00 C ATOM 205 O PRO A 16 -1.908 -10.828 -4.431 1.00 0.00 O ATOM 206 CB PRO A 16 -1.694 -10.100 -7.494 1.00 0.00 C ATOM 207 CG PRO A 16 -0.800 -11.289 -7.573 1.00 0.00 C ATOM 208 CD PRO A 16 0.517 -10.857 -6.991 1.00 0.00 C ATOM 0 HA PRO A 16 -1.355 -8.284 -6.285 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.742 -10.395 -7.439 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.587 -9.465 -8.374 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.216 -12.128 -7.015 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.681 -11.620 -8.605 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.018 -11.678 -6.479 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.199 -10.499 -7.762 1.00 0.00 H new ATOM 216 N TYR A 17 -3.120 -8.957 -4.728 1.00 0.00 N ATOM 217 CA TYR A 17 -4.025 -9.235 -3.620 1.00 0.00 C ATOM 218 C TYR A 17 -5.476 -8.995 -4.026 1.00 0.00 C ATOM 219 O TYR A 17 -5.790 -8.013 -4.700 1.00 0.00 O ATOM 220 CB TYR A 17 -3.671 -8.365 -2.413 1.00 0.00 C ATOM 221 CG TYR A 17 -4.454 -8.710 -1.166 1.00 0.00 C ATOM 222 CD1 TYR A 17 -5.725 -8.190 -0.954 1.00 0.00 C ATOM 223 CD2 TYR A 17 -3.922 -9.555 -0.200 1.00 0.00 C ATOM 224 CE1 TYR A 17 -6.443 -8.502 0.183 1.00 0.00 C ATOM 225 CE2 TYR A 17 -4.634 -9.874 0.939 1.00 0.00 C ATOM 226 CZ TYR A 17 -5.894 -9.346 1.127 1.00 0.00 C ATOM 227 OH TYR A 17 -6.606 -9.659 2.262 1.00 0.00 O ATOM 0 H TYR A 17 -3.317 -8.088 -5.225 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.912 -10.285 -3.349 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.606 -8.466 -2.203 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -3.848 -7.319 -2.665 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.159 -7.531 -1.691 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.935 -9.969 -0.342 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.429 -8.088 0.333 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.206 -10.534 1.679 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.078 -10.265 2.823 1.00 0.00 H new ATOM 237 N THR A 18 -6.357 -9.899 -3.612 1.00 0.00 N ATOM 238 CA THR A 18 -7.775 -9.788 -3.933 1.00 0.00 C ATOM 239 C THR A 18 -8.604 -9.538 -2.678 1.00 0.00 C ATOM 240 O THR A 18 -8.545 -10.307 -1.719 1.00 0.00 O ATOM 241 CB THR A 18 -8.294 -11.058 -4.632 1.00 0.00 C ATOM 242 OG1 THR A 18 -7.555 -11.292 -5.837 1.00 0.00 O ATOM 243 CG2 THR A 18 -9.775 -10.931 -4.956 1.00 0.00 C ATOM 0 H THR A 18 -6.114 -10.717 -3.053 1.00 0.00 H new ATOM 0 HA THR A 18 -7.880 -8.941 -4.611 1.00 0.00 H new ATOM 0 HB THR A 18 -8.158 -11.900 -3.954 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.890 -12.102 -6.274 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.119 -11.840 -5.449 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.338 -10.783 -4.034 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.931 -10.078 -5.617 1.00 0.00 H new ATOM 251 N SER A 19 -9.377 -8.456 -2.692 1.00 0.00 N ATOM 252 CA SER A 19 -10.216 -8.103 -1.553 1.00 0.00 C ATOM 253 C SER A 19 -11.384 -9.075 -1.416 1.00 0.00 C ATOM 254 O SER A 19 -11.971 -9.500 -2.411 1.00 0.00 O ATOM 255 CB SER A 19 -10.743 -6.674 -1.705 1.00 0.00 C ATOM 256 OG SER A 19 -11.378 -6.495 -2.960 1.00 0.00 O ATOM 0 H SER A 19 -9.439 -7.810 -3.479 1.00 0.00 H new ATOM 0 HA SER A 19 -9.607 -8.165 -0.651 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.448 -6.456 -0.903 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.919 -5.967 -1.607 1.00 0.00 H new ATOM 0 HG SER A 19 -11.707 -5.575 -3.032 1.00 0.00 H new ATOM 262 N GLN A 20 -11.714 -9.422 -0.176 1.00 0.00 N ATOM 263 CA GLN A 20 -12.811 -10.345 0.091 1.00 0.00 C ATOM 264 C GLN A 20 -14.039 -9.598 0.598 1.00 0.00 C ATOM 265 O GLN A 20 -15.153 -9.816 0.120 1.00 0.00 O ATOM 266 CB GLN A 20 -12.380 -11.398 1.115 1.00 0.00 C ATOM 267 CG GLN A 20 -11.455 -12.459 0.543 1.00 0.00 C ATOM 268 CD GLN A 20 -11.927 -12.987 -0.796 1.00 0.00 C ATOM 269 OE1 GLN A 20 -12.888 -13.755 -0.870 1.00 0.00 O ATOM 270 NE2 GLN A 20 -11.256 -12.577 -1.866 1.00 0.00 N ATOM 0 H GLN A 20 -11.238 -9.079 0.658 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.071 -10.842 -0.844 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.879 -10.901 1.946 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.268 -11.883 1.521 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.455 -12.041 0.432 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.378 -13.286 1.248 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.466 -11.941 -1.760 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.531 -12.898 -2.794 1.00 0.00 H new ATOM 279 N SER A 21 -13.830 -8.716 1.572 1.00 0.00 N ATOM 280 CA SER A 21 -14.922 -7.939 2.147 1.00 0.00 C ATOM 281 C SER A 21 -14.802 -6.467 1.764 1.00 0.00 C ATOM 282 O SER A 21 -13.911 -6.081 1.007 1.00 0.00 O ATOM 283 CB SER A 21 -14.931 -8.084 3.670 1.00 0.00 C ATOM 284 OG SER A 21 -16.231 -7.878 4.194 1.00 0.00 O ATOM 0 H SER A 21 -12.915 -8.522 1.979 1.00 0.00 H new ATOM 0 HA SER A 21 -15.860 -8.324 1.747 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.577 -9.077 3.946 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.240 -7.366 4.111 1.00 0.00 H new ATOM 0 HG SER A 21 -16.210 -7.978 5.169 1.00 0.00 H new ATOM 290 N LYS A 22 -15.706 -5.650 2.293 1.00 0.00 N ATOM 291 CA LYS A 22 -15.703 -4.219 2.010 1.00 0.00 C ATOM 292 C LYS A 22 -14.778 -3.477 2.968 1.00 0.00 C ATOM 293 O LYS A 22 -15.046 -2.336 3.346 1.00 0.00 O ATOM 294 CB LYS A 22 -17.122 -3.656 2.113 1.00 0.00 C ATOM 295 CG LYS A 22 -17.728 -3.785 3.501 1.00 0.00 C ATOM 296 CD LYS A 22 -19.245 -3.760 3.450 1.00 0.00 C ATOM 297 CE LYS A 22 -19.777 -2.337 3.375 1.00 0.00 C ATOM 298 NZ LYS A 22 -19.808 -1.830 1.975 1.00 0.00 N ATOM 0 H LYS A 22 -16.451 -5.954 2.920 1.00 0.00 H new ATOM 0 HA LYS A 22 -15.335 -4.075 0.994 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -17.108 -2.604 1.828 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.762 -4.172 1.397 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.394 -4.715 3.960 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.371 -2.971 4.132 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -19.590 -4.325 2.584 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -19.648 -4.254 4.334 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -20.782 -2.302 3.796 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.153 -1.683 3.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.573 -1.132 1.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -18.898 -1.381 1.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -19.975 -2.622 1.322 1.00 0.00 H new ATOM 312 N ASP A 23 -13.688 -4.130 3.356 1.00 0.00 N ATOM 313 CA ASP A 23 -12.721 -3.530 4.268 1.00 0.00 C ATOM 314 C ASP A 23 -11.307 -3.627 3.702 1.00 0.00 C ATOM 315 O ASP A 23 -10.463 -2.772 3.969 1.00 0.00 O ATOM 316 CB ASP A 23 -12.785 -4.214 5.635 1.00 0.00 C ATOM 317 CG ASP A 23 -14.103 -3.971 6.342 1.00 0.00 C ATOM 318 OD1 ASP A 23 -14.749 -2.942 6.056 1.00 0.00 O ATOM 319 OD2 ASP A 23 -14.489 -4.811 7.182 1.00 0.00 O ATOM 0 H ASP A 23 -13.452 -5.075 3.053 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.974 -2.476 4.385 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.636 -5.286 5.509 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.969 -3.850 6.259 1.00 0.00 H new ATOM 324 N GLU A 24 -11.058 -4.674 2.922 1.00 0.00 N ATOM 325 CA GLU A 24 -9.745 -4.882 2.321 1.00 0.00 C ATOM 326 C GLU A 24 -9.721 -4.383 0.880 1.00 0.00 C ATOM 327 O GLU A 24 -10.763 -4.272 0.233 1.00 0.00 O ATOM 328 CB GLU A 24 -9.370 -6.365 2.365 1.00 0.00 C ATOM 329 CG GLU A 24 -8.721 -6.791 3.672 1.00 0.00 C ATOM 330 CD GLU A 24 -9.737 -7.192 4.724 1.00 0.00 C ATOM 331 OE1 GLU A 24 -10.748 -7.828 4.361 1.00 0.00 O ATOM 332 OE2 GLU A 24 -9.520 -6.869 5.911 1.00 0.00 O ATOM 0 H GLU A 24 -11.747 -5.390 2.691 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.015 -4.312 2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.267 -6.963 2.203 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.689 -6.583 1.543 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.049 -7.628 3.484 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.111 -5.972 4.054 1.00 0.00 H new ATOM 339 N ILE A 25 -8.526 -4.083 0.384 1.00 0.00 N ATOM 340 CA ILE A 25 -8.365 -3.595 -0.981 1.00 0.00 C ATOM 341 C ILE A 25 -7.462 -4.519 -1.792 1.00 0.00 C ATOM 342 O ILE A 25 -6.437 -4.989 -1.300 1.00 0.00 O ATOM 343 CB ILE A 25 -7.781 -2.171 -1.004 1.00 0.00 C ATOM 344 CG1 ILE A 25 -7.980 -1.538 -2.383 1.00 0.00 C ATOM 345 CG2 ILE A 25 -6.305 -2.199 -0.637 1.00 0.00 C ATOM 346 CD1 ILE A 25 -7.829 -0.033 -2.384 1.00 0.00 C ATOM 0 H ILE A 25 -7.654 -4.169 0.907 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.358 -3.577 -1.430 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.308 -1.565 -0.267 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.259 -1.968 -3.079 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.973 -1.796 -2.752 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.906 -1.185 -0.657 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.187 -2.615 0.363 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.764 -2.817 -1.354 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.983 0.347 -3.394 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.567 0.407 -1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.828 0.232 -2.045 1.00 0.00 H new ATOM 358 N GLY A 26 -7.850 -4.772 -3.038 1.00 0.00 N ATOM 359 CA GLY A 26 -7.063 -5.636 -3.898 1.00 0.00 C ATOM 360 C GLY A 26 -6.182 -4.857 -4.853 1.00 0.00 C ATOM 361 O GLY A 26 -6.668 -4.027 -5.622 1.00 0.00 O ATOM 0 H GLY A 26 -8.695 -4.394 -3.467 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.441 -6.286 -3.283 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.731 -6.281 -4.469 1.00 0.00 H new ATOM 365 N PHE A 27 -4.880 -5.120 -4.804 1.00 0.00 N ATOM 366 CA PHE A 27 -3.928 -4.435 -5.670 1.00 0.00 C ATOM 367 C PHE A 27 -3.125 -5.437 -6.496 1.00 0.00 C ATOM 368 O PHE A 27 -2.908 -6.572 -6.073 1.00 0.00 O ATOM 369 CB PHE A 27 -2.981 -3.570 -4.837 1.00 0.00 C ATOM 370 CG PHE A 27 -2.472 -4.255 -3.601 1.00 0.00 C ATOM 371 CD1 PHE A 27 -1.559 -5.292 -3.694 1.00 0.00 C ATOM 372 CD2 PHE A 27 -2.909 -3.862 -2.345 1.00 0.00 C ATOM 373 CE1 PHE A 27 -1.088 -5.925 -2.559 1.00 0.00 C ATOM 374 CE2 PHE A 27 -2.442 -4.491 -1.207 1.00 0.00 C ATOM 375 CZ PHE A 27 -1.531 -5.524 -1.313 1.00 0.00 C ATOM 0 H PHE A 27 -4.460 -5.803 -4.173 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.489 -3.796 -6.352 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.133 -3.276 -5.455 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.498 -2.655 -4.548 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.211 -5.610 -4.665 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.622 -3.056 -2.255 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.375 -6.732 -2.646 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.789 -4.175 -0.234 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.166 -6.017 -0.424 1.00 0.00 H new ATOM 385 N GLU A 28 -2.690 -5.007 -7.676 1.00 0.00 N ATOM 386 CA GLU A 28 -1.914 -5.866 -8.562 1.00 0.00 C ATOM 387 C GLU A 28 -0.422 -5.760 -8.254 1.00 0.00 C ATOM 388 O GLU A 28 0.007 -4.882 -7.506 1.00 0.00 O ATOM 389 CB GLU A 28 -2.170 -5.494 -10.023 1.00 0.00 C ATOM 390 CG GLU A 28 -3.642 -5.489 -10.401 1.00 0.00 C ATOM 391 CD GLU A 28 -3.863 -5.274 -11.885 1.00 0.00 C ATOM 392 OE1 GLU A 28 -3.353 -4.269 -12.423 1.00 0.00 O ATOM 393 OE2 GLU A 28 -4.548 -6.112 -12.510 1.00 0.00 O ATOM 0 H GLU A 28 -2.862 -4.070 -8.040 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.231 -6.896 -8.395 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.750 -4.507 -10.217 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.641 -6.197 -10.666 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.093 -6.436 -10.104 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.154 -4.704 -9.844 1.00 0.00 H new ATOM 400 N LYS A 29 0.362 -6.662 -8.835 1.00 0.00 N ATOM 401 CA LYS A 29 1.803 -6.671 -8.623 1.00 0.00 C ATOM 402 C LYS A 29 2.505 -5.744 -9.611 1.00 0.00 C ATOM 403 O LYS A 29 2.300 -5.842 -10.821 1.00 0.00 O ATOM 404 CB LYS A 29 2.352 -8.094 -8.766 1.00 0.00 C ATOM 405 CG LYS A 29 3.821 -8.144 -9.149 1.00 0.00 C ATOM 406 CD LYS A 29 4.276 -9.567 -9.427 1.00 0.00 C ATOM 407 CE LYS A 29 5.703 -9.603 -9.953 1.00 0.00 C ATOM 408 NZ LYS A 29 5.775 -9.210 -11.388 1.00 0.00 N ATOM 0 H LYS A 29 0.023 -7.396 -9.456 1.00 0.00 H new ATOM 0 HA LYS A 29 1.998 -6.312 -7.613 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.213 -8.624 -7.824 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.770 -8.625 -9.520 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.989 -7.528 -10.032 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.422 -7.719 -8.345 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.209 -10.157 -8.513 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.607 -10.029 -10.154 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.325 -8.932 -9.361 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.110 -10.607 -9.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.764 -9.247 -11.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.202 -9.865 -11.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.410 -8.243 -11.502 1.00 0.00 H new ATOM 422 N GLY A 30 3.333 -4.845 -9.088 1.00 0.00 N ATOM 423 CA GLY A 30 4.051 -3.914 -9.938 1.00 0.00 C ATOM 424 C GLY A 30 3.390 -2.551 -9.993 1.00 0.00 C ATOM 425 O GLY A 30 3.434 -1.873 -11.020 1.00 0.00 O ATOM 0 H GLY A 30 3.519 -4.745 -8.090 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.072 -3.805 -9.571 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.117 -4.324 -10.946 1.00 0.00 H new ATOM 429 N VAL A 31 2.777 -2.147 -8.885 1.00 0.00 N ATOM 430 CA VAL A 31 2.105 -0.855 -8.811 1.00 0.00 C ATOM 431 C VAL A 31 2.585 -0.054 -7.606 1.00 0.00 C ATOM 432 O VAL A 31 3.348 -0.553 -6.778 1.00 0.00 O ATOM 433 CB VAL A 31 0.575 -1.023 -8.726 1.00 0.00 C ATOM 434 CG1 VAL A 31 0.019 -1.527 -10.049 1.00 0.00 C ATOM 435 CG2 VAL A 31 0.206 -1.964 -7.590 1.00 0.00 C ATOM 0 H VAL A 31 2.732 -2.696 -8.026 1.00 0.00 H new ATOM 0 HA VAL A 31 2.354 -0.315 -9.725 1.00 0.00 H new ATOM 0 HB VAL A 31 0.130 -0.049 -8.520 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.062 -1.640 -9.970 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.253 -0.812 -10.838 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.468 -2.491 -10.289 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.878 -2.071 -7.544 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.660 -2.939 -7.763 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.570 -1.556 -6.647 1.00 0.00 H new ATOM 445 N THR A 32 2.133 1.193 -7.514 1.00 0.00 N ATOM 446 CA THR A 32 2.516 2.065 -6.410 1.00 0.00 C ATOM 447 C THR A 32 1.340 2.319 -5.476 1.00 0.00 C ATOM 448 O THR A 32 0.213 2.528 -5.923 1.00 0.00 O ATOM 449 CB THR A 32 3.052 3.415 -6.922 1.00 0.00 C ATOM 450 OG1 THR A 32 4.214 3.207 -7.733 1.00 0.00 O ATOM 451 CG2 THR A 32 3.396 4.336 -5.762 1.00 0.00 C ATOM 0 H THR A 32 1.501 1.622 -8.191 1.00 0.00 H new ATOM 0 HA THR A 32 3.306 1.553 -5.862 1.00 0.00 H new ATOM 0 HB THR A 32 2.272 3.886 -7.520 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.547 4.071 -8.055 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.772 5.283 -6.149 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.503 4.517 -5.164 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.160 3.869 -5.140 1.00 0.00 H new ATOM 459 N VAL A 33 1.609 2.301 -4.174 1.00 0.00 N ATOM 460 CA VAL A 33 0.573 2.531 -3.175 1.00 0.00 C ATOM 461 C VAL A 33 1.009 3.584 -2.163 1.00 0.00 C ATOM 462 O VAL A 33 2.177 3.967 -2.116 1.00 0.00 O ATOM 463 CB VAL A 33 0.214 1.233 -2.428 1.00 0.00 C ATOM 464 CG1 VAL A 33 -0.412 0.224 -3.379 1.00 0.00 C ATOM 465 CG2 VAL A 33 1.448 0.649 -1.755 1.00 0.00 C ATOM 0 H VAL A 33 2.537 2.129 -3.787 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.307 2.888 -3.709 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.518 1.469 -1.655 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.659 -0.686 -2.833 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.320 0.645 -3.811 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.293 -0.011 -4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.177 -0.268 -1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.203 0.427 -2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.849 1.369 -1.042 1.00 0.00 H new ATOM 475 N GLU A 34 0.062 4.046 -1.353 1.00 0.00 N ATOM 476 CA GLU A 34 0.350 5.056 -0.340 1.00 0.00 C ATOM 477 C GLU A 34 -0.019 4.551 1.052 1.00 0.00 C ATOM 478 O GLU A 34 -1.197 4.459 1.398 1.00 0.00 O ATOM 479 CB GLU A 34 -0.411 6.347 -0.645 1.00 0.00 C ATOM 480 CG GLU A 34 0.112 7.090 -1.863 1.00 0.00 C ATOM 481 CD GLU A 34 -0.532 8.452 -2.038 1.00 0.00 C ATOM 482 OE1 GLU A 34 -1.775 8.536 -1.940 1.00 0.00 O ATOM 483 OE2 GLU A 34 0.206 9.432 -2.273 1.00 0.00 O ATOM 0 H GLU A 34 -0.910 3.738 -1.378 1.00 0.00 H new ATOM 0 HA GLU A 34 1.420 5.260 -0.361 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.464 6.110 -0.799 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.356 7.005 0.222 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.191 7.212 -1.774 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.068 6.490 -2.755 1.00 0.00 H new ATOM 490 N VAL A 35 0.996 4.226 1.845 1.00 0.00 N ATOM 491 CA VAL A 35 0.780 3.730 3.200 1.00 0.00 C ATOM 492 C VAL A 35 0.281 4.841 4.117 1.00 0.00 C ATOM 493 O VAL A 35 1.074 5.596 4.680 1.00 0.00 O ATOM 494 CB VAL A 35 2.069 3.130 3.790 1.00 0.00 C ATOM 495 CG1 VAL A 35 1.811 2.580 5.185 1.00 0.00 C ATOM 496 CG2 VAL A 35 2.620 2.047 2.876 1.00 0.00 C ATOM 0 H VAL A 35 1.977 4.297 1.573 1.00 0.00 H new ATOM 0 HA VAL A 35 0.023 2.949 3.135 1.00 0.00 H new ATOM 0 HB VAL A 35 2.815 3.921 3.868 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.733 2.160 5.587 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.465 3.384 5.835 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.050 1.802 5.134 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.531 1.634 3.309 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.880 1.254 2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.844 2.475 1.899 1.00 0.00 H new ATOM 506 N ILE A 36 -1.036 4.934 4.264 1.00 0.00 N ATOM 507 CA ILE A 36 -1.640 5.952 5.115 1.00 0.00 C ATOM 508 C ILE A 36 -1.281 5.726 6.580 1.00 0.00 C ATOM 509 O ILE A 36 -0.718 6.604 7.234 1.00 0.00 O ATOM 510 CB ILE A 36 -3.173 5.968 4.971 1.00 0.00 C ATOM 511 CG1 ILE A 36 -3.567 6.263 3.522 1.00 0.00 C ATOM 512 CG2 ILE A 36 -3.781 6.999 5.911 1.00 0.00 C ATOM 513 CD1 ILE A 36 -4.961 5.792 3.168 1.00 0.00 C ATOM 0 H ILE A 36 -1.706 4.317 3.805 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.242 6.913 4.789 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.560 4.985 5.240 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.499 7.337 3.347 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.850 5.785 2.854 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.865 6.999 5.798 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.523 6.750 6.940 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.391 7.987 5.668 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.173 6.034 2.127 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.028 4.714 3.311 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.687 6.289 3.811 1.00 0.00 H new ATOM 525 N ARG A 37 -1.608 4.542 7.089 1.00 0.00 N ATOM 526 CA ARG A 37 -1.319 4.202 8.476 1.00 0.00 C ATOM 527 C ARG A 37 -0.860 2.751 8.595 1.00 0.00 C ATOM 528 O ARG A 37 -1.640 1.822 8.389 1.00 0.00 O ATOM 529 CB ARG A 37 -2.556 4.429 9.347 1.00 0.00 C ATOM 530 CG ARG A 37 -2.972 5.887 9.446 1.00 0.00 C ATOM 531 CD ARG A 37 -4.288 6.042 10.191 1.00 0.00 C ATOM 532 NE ARG A 37 -4.138 5.801 11.623 1.00 0.00 N ATOM 533 CZ ARG A 37 -5.163 5.681 12.460 1.00 0.00 C ATOM 534 NH1 ARG A 37 -6.406 5.781 12.010 1.00 0.00 N ATOM 535 NH2 ARG A 37 -4.946 5.462 13.751 1.00 0.00 N ATOM 0 H ARG A 37 -2.073 3.803 6.561 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.514 4.850 8.823 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.386 3.850 8.942 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.359 4.047 10.349 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.194 6.454 9.957 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.068 6.308 8.445 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.679 7.047 10.032 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.021 5.347 9.781 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.194 5.720 12.002 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.577 5.950 11.019 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.191 5.688 12.655 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.991 5.386 14.102 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.734 5.370 14.392 1.00 0.00 H new ATOM 549 N LYS A 38 0.412 2.565 8.930 1.00 0.00 N ATOM 550 CA LYS A 38 0.977 1.229 9.077 1.00 0.00 C ATOM 551 C LYS A 38 1.084 0.843 10.549 1.00 0.00 C ATOM 552 O LYS A 38 1.726 1.536 11.337 1.00 0.00 O ATOM 553 CB LYS A 38 2.358 1.162 8.420 1.00 0.00 C ATOM 554 CG LYS A 38 3.263 2.325 8.785 1.00 0.00 C ATOM 555 CD LYS A 38 4.729 1.971 8.602 1.00 0.00 C ATOM 556 CE LYS A 38 5.584 3.214 8.410 1.00 0.00 C ATOM 557 NZ LYS A 38 6.997 2.985 8.821 1.00 0.00 N ATOM 0 H LYS A 38 1.072 3.323 9.105 1.00 0.00 H new ATOM 0 HA LYS A 38 0.311 0.523 8.581 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.844 0.230 8.709 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.235 1.134 7.337 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.016 3.187 8.166 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.084 2.615 9.820 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.082 1.417 9.472 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.841 1.315 7.739 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.555 3.517 7.363 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.166 4.036 8.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.547 3.856 8.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.028 2.721 9.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.405 2.218 8.249 1.00 0.00 H new ATOM 571 N ASN A 39 0.452 -0.269 10.912 1.00 0.00 N ATOM 572 CA ASN A 39 0.476 -0.747 12.289 1.00 0.00 C ATOM 573 C ASN A 39 1.559 -1.805 12.478 1.00 0.00 C ATOM 574 O ASN A 39 2.197 -2.236 11.516 1.00 0.00 O ATOM 575 CB ASN A 39 -0.888 -1.323 12.675 1.00 0.00 C ATOM 576 CG ASN A 39 -1.930 -0.242 12.892 1.00 0.00 C ATOM 577 OD1 ASN A 39 -1.867 0.512 13.863 1.00 0.00 O ATOM 578 ND2 ASN A 39 -2.898 -0.163 11.985 1.00 0.00 N ATOM 0 H ASN A 39 -0.083 -0.855 10.271 1.00 0.00 H new ATOM 0 HA ASN A 39 0.702 0.099 12.937 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.228 -2.000 11.892 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.786 -1.914 13.585 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.628 0.543 12.078 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.911 -0.809 11.196 1.00 0.00 H new ATOM 585 N LEU A 40 1.762 -2.221 13.723 1.00 0.00 N ATOM 586 CA LEU A 40 2.766 -3.230 14.039 1.00 0.00 C ATOM 587 C LEU A 40 2.135 -4.615 14.140 1.00 0.00 C ATOM 588 O LEU A 40 2.762 -5.620 13.805 1.00 0.00 O ATOM 589 CB LEU A 40 3.472 -2.882 15.351 1.00 0.00 C ATOM 590 CG LEU A 40 2.563 -2.537 16.531 1.00 0.00 C ATOM 591 CD1 LEU A 40 3.252 -2.858 17.847 1.00 0.00 C ATOM 592 CD2 LEU A 40 2.158 -1.072 16.482 1.00 0.00 C ATOM 0 H LEU A 40 1.244 -1.875 14.531 1.00 0.00 H new ATOM 0 HA LEU A 40 3.498 -3.243 13.231 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.101 -3.725 15.637 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.136 -2.037 15.170 1.00 0.00 H new ATOM 0 HG LEU A 40 1.661 -3.145 16.460 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.590 -2.606 18.675 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.490 -3.921 17.883 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.171 -2.278 17.928 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.511 -0.845 17.329 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.049 -0.446 16.528 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.623 -0.873 15.554 1.00 0.00 H new ATOM 604 N GLU A 41 0.889 -4.660 14.601 1.00 0.00 N ATOM 605 CA GLU A 41 0.172 -5.922 14.745 1.00 0.00 C ATOM 606 C GLU A 41 0.322 -6.778 13.490 1.00 0.00 C ATOM 607 O GLU A 41 0.847 -7.889 13.544 1.00 0.00 O ATOM 608 CB GLU A 41 -1.309 -5.663 15.024 1.00 0.00 C ATOM 609 CG GLU A 41 -1.566 -4.963 16.348 1.00 0.00 C ATOM 610 CD GLU A 41 -1.517 -3.453 16.228 1.00 0.00 C ATOM 611 OE1 GLU A 41 -1.939 -2.928 15.176 1.00 0.00 O ATOM 612 OE2 GLU A 41 -1.058 -2.795 17.184 1.00 0.00 O ATOM 0 H GLU A 41 0.355 -3.837 14.881 1.00 0.00 H new ATOM 0 HA GLU A 41 0.604 -6.462 15.587 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.722 -5.058 14.217 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.843 -6.613 15.015 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.542 -5.262 16.729 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.825 -5.290 17.078 1.00 0.00 H new ATOM 619 N GLY A 42 -0.143 -6.251 12.362 1.00 0.00 N ATOM 620 CA GLY A 42 -0.052 -6.980 11.111 1.00 0.00 C ATOM 621 C GLY A 42 -1.012 -6.453 10.061 1.00 0.00 C ATOM 622 O GLY A 42 -1.561 -7.222 9.272 1.00 0.00 O ATOM 0 H GLY A 42 -0.581 -5.332 12.292 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.968 -6.917 10.731 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.260 -8.034 11.293 1.00 0.00 H new ATOM 626 N TRP A 43 -1.215 -5.141 10.055 1.00 0.00 N ATOM 627 CA TRP A 43 -2.117 -4.513 9.096 1.00 0.00 C ATOM 628 C TRP A 43 -1.603 -3.138 8.684 1.00 0.00 C ATOM 629 O TRP A 43 -1.346 -2.283 9.530 1.00 0.00 O ATOM 630 CB TRP A 43 -3.521 -4.388 9.691 1.00 0.00 C ATOM 631 CG TRP A 43 -4.390 -5.578 9.416 1.00 0.00 C ATOM 632 CD1 TRP A 43 -4.927 -6.431 10.337 1.00 0.00 C ATOM 633 CD2 TRP A 43 -4.821 -6.047 8.133 1.00 0.00 C ATOM 634 NE1 TRP A 43 -5.666 -7.402 9.705 1.00 0.00 N ATOM 635 CE2 TRP A 43 -5.618 -7.188 8.353 1.00 0.00 C ATOM 636 CE3 TRP A 43 -4.614 -5.612 6.822 1.00 0.00 C ATOM 637 CZ2 TRP A 43 -6.203 -7.898 7.309 1.00 0.00 C ATOM 638 CZ3 TRP A 43 -5.196 -6.319 5.787 1.00 0.00 C ATOM 639 CH2 TRP A 43 -5.983 -7.451 6.034 1.00 0.00 C ATOM 0 H TRP A 43 -0.768 -4.492 10.702 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.160 -5.145 8.209 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.440 -4.247 10.769 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.001 -3.496 9.288 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.791 -6.354 11.406 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.169 -8.159 10.168 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.010 -4.739 6.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -6.810 -8.771 7.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.041 -5.993 4.769 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -6.424 -7.981 5.203 1.00 0.00 H new ATOM 650 N TRP A 44 -1.455 -2.933 7.380 1.00 0.00 N ATOM 651 CA TRP A 44 -0.971 -1.661 6.857 1.00 0.00 C ATOM 652 C TRP A 44 -2.010 -1.014 5.949 1.00 0.00 C ATOM 653 O TRP A 44 -2.290 -1.511 4.857 1.00 0.00 O ATOM 654 CB TRP A 44 0.337 -1.866 6.090 1.00 0.00 C ATOM 655 CG TRP A 44 1.537 -1.980 6.980 1.00 0.00 C ATOM 656 CD1 TRP A 44 1.588 -2.557 8.217 1.00 0.00 C ATOM 657 CD2 TRP A 44 2.857 -1.501 6.704 1.00 0.00 C ATOM 658 NE1 TRP A 44 2.862 -2.466 8.726 1.00 0.00 N ATOM 659 CE2 TRP A 44 3.659 -1.823 7.817 1.00 0.00 C ATOM 660 CE3 TRP A 44 3.442 -0.832 5.624 1.00 0.00 C ATOM 661 CZ2 TRP A 44 5.012 -1.499 7.878 1.00 0.00 C ATOM 662 CZ3 TRP A 44 4.784 -0.511 5.688 1.00 0.00 C ATOM 663 CH2 TRP A 44 5.558 -0.845 6.808 1.00 0.00 C ATOM 0 H TRP A 44 -1.663 -3.631 6.666 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.789 -0.996 7.701 1.00 0.00 H new ATOM 0 HB2 TRP A 44 0.256 -2.768 5.484 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.481 -1.032 5.403 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.751 -3.017 8.721 1.00 0.00 H new ATOM 0 HE1 TRP A 44 3.164 -2.820 9.634 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.855 -0.571 4.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.610 -1.755 8.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.245 0.007 4.860 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.605 -0.581 6.826 1.00 0.00 H new ATOM 674 N TYR A 45 -2.580 0.095 6.407 1.00 0.00 N ATOM 675 CA TYR A 45 -3.592 0.808 5.636 1.00 0.00 C ATOM 676 C TYR A 45 -2.957 1.572 4.478 1.00 0.00 C ATOM 677 O TYR A 45 -2.061 2.394 4.679 1.00 0.00 O ATOM 678 CB TYR A 45 -4.363 1.775 6.537 1.00 0.00 C ATOM 679 CG TYR A 45 -5.789 2.010 6.093 1.00 0.00 C ATOM 680 CD1 TYR A 45 -6.713 0.973 6.080 1.00 0.00 C ATOM 681 CD2 TYR A 45 -6.212 3.269 5.689 1.00 0.00 C ATOM 682 CE1 TYR A 45 -8.017 1.182 5.675 1.00 0.00 C ATOM 683 CE2 TYR A 45 -7.514 3.489 5.283 1.00 0.00 C ATOM 684 CZ TYR A 45 -8.413 2.443 5.277 1.00 0.00 C ATOM 685 OH TYR A 45 -9.711 2.656 4.874 1.00 0.00 O ATOM 0 H TYR A 45 -2.359 0.520 7.308 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.284 0.073 5.226 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.368 1.385 7.555 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.838 2.730 6.564 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.406 -0.014 6.392 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.511 4.091 5.692 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.722 0.364 5.670 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.826 4.475 4.972 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.827 3.597 4.627 1.00 0.00 H new ATOM 695 N ILE A 46 -3.427 1.296 3.267 1.00 0.00 N ATOM 696 CA ILE A 46 -2.907 1.957 2.077 1.00 0.00 C ATOM 697 C ILE A 46 -4.039 2.416 1.163 1.00 0.00 C ATOM 698 O ILE A 46 -5.195 2.039 1.355 1.00 0.00 O ATOM 699 CB ILE A 46 -1.966 1.031 1.283 1.00 0.00 C ATOM 700 CG1 ILE A 46 -2.733 -0.188 0.766 1.00 0.00 C ATOM 701 CG2 ILE A 46 -0.794 0.599 2.151 1.00 0.00 C ATOM 702 CD1 ILE A 46 -2.061 -0.872 -0.403 1.00 0.00 C ATOM 0 H ILE A 46 -4.167 0.619 3.084 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.345 2.825 2.420 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.575 1.580 0.426 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.850 -0.905 1.578 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.735 0.122 0.468 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.138 -0.055 1.577 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.237 1.478 2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.166 0.063 3.024 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.660 -1.727 -0.717 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.968 -0.170 -1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.070 -1.213 -0.104 1.00 0.00 H new ATOM 714 N ARG A 47 -3.698 3.231 0.170 1.00 0.00 N ATOM 715 CA ARG A 47 -4.685 3.740 -0.774 1.00 0.00 C ATOM 716 C ARG A 47 -4.265 3.450 -2.211 1.00 0.00 C ATOM 717 O ARG A 47 -3.231 3.931 -2.675 1.00 0.00 O ATOM 718 CB ARG A 47 -4.875 5.246 -0.581 1.00 0.00 C ATOM 719 CG ARG A 47 -5.808 5.877 -1.602 1.00 0.00 C ATOM 720 CD ARG A 47 -5.713 7.394 -1.580 1.00 0.00 C ATOM 721 NE ARG A 47 -6.176 7.989 -2.831 1.00 0.00 N ATOM 722 CZ ARG A 47 -6.560 9.257 -2.943 1.00 0.00 C ATOM 723 NH1 ARG A 47 -6.538 10.056 -1.887 1.00 0.00 N ATOM 724 NH2 ARG A 47 -6.968 9.725 -4.117 1.00 0.00 N ATOM 0 H ARG A 47 -2.745 3.553 -0.001 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.630 3.232 -0.582 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.267 5.429 0.419 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.903 5.737 -0.637 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.561 5.510 -2.598 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.834 5.573 -1.396 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.306 7.783 -0.752 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.680 7.690 -1.398 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.206 7.400 -3.663 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.226 9.699 -0.984 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.833 11.028 -1.977 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.987 9.112 -4.932 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.263 10.698 -4.204 1.00 0.00 H new ATOM 738 N TYR A 48 -5.072 2.659 -2.910 1.00 0.00 N ATOM 739 CA TYR A 48 -4.782 2.301 -4.293 1.00 0.00 C ATOM 740 C TYR A 48 -6.002 2.527 -5.182 1.00 0.00 C ATOM 741 O TYR A 48 -7.115 2.121 -4.844 1.00 0.00 O ATOM 742 CB TYR A 48 -4.336 0.840 -4.382 1.00 0.00 C ATOM 743 CG TYR A 48 -4.397 0.273 -5.782 1.00 0.00 C ATOM 744 CD1 TYR A 48 -3.667 0.844 -6.817 1.00 0.00 C ATOM 745 CD2 TYR A 48 -5.185 -0.836 -6.069 1.00 0.00 C ATOM 746 CE1 TYR A 48 -3.720 0.329 -8.097 1.00 0.00 C ATOM 747 CE2 TYR A 48 -5.243 -1.358 -7.347 1.00 0.00 C ATOM 748 CZ TYR A 48 -4.509 -0.772 -8.358 1.00 0.00 C ATOM 749 OH TYR A 48 -4.564 -1.289 -9.631 1.00 0.00 O ATOM 0 H TYR A 48 -5.932 2.254 -2.541 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.974 2.942 -4.645 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.315 0.757 -4.010 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -4.964 0.236 -3.727 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.047 1.706 -6.617 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.761 -1.297 -5.280 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.147 0.786 -8.890 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.860 -2.220 -7.554 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.164 -2.063 -9.644 1.00 0.00 H new ATOM 759 N LEU A 49 -5.784 3.180 -6.319 1.00 0.00 N ATOM 760 CA LEU A 49 -6.864 3.460 -7.258 1.00 0.00 C ATOM 761 C LEU A 49 -7.921 4.356 -6.620 1.00 0.00 C ATOM 762 O LEU A 49 -9.115 4.205 -6.876 1.00 0.00 O ATOM 763 CB LEU A 49 -7.505 2.156 -7.734 1.00 0.00 C ATOM 764 CG LEU A 49 -6.836 1.477 -8.930 1.00 0.00 C ATOM 765 CD1 LEU A 49 -7.395 0.077 -9.130 1.00 0.00 C ATOM 766 CD2 LEU A 49 -7.020 2.313 -10.188 1.00 0.00 C ATOM 0 H LEU A 49 -4.870 3.525 -6.612 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.440 3.982 -8.115 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.514 1.453 -6.901 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.545 2.358 -7.991 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.768 1.393 -8.727 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.907 -0.391 -9.985 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.211 -0.519 -8.236 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.468 0.136 -9.312 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.538 1.815 -11.029 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.084 2.428 -10.396 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.570 3.295 -10.041 1.00 0.00 H new ATOM 778 N GLY A 50 -7.474 5.291 -5.787 1.00 0.00 N ATOM 779 CA GLY A 50 -8.393 6.199 -5.128 1.00 0.00 C ATOM 780 C GLY A 50 -9.321 5.486 -4.164 1.00 0.00 C ATOM 781 O GLY A 50 -10.479 5.872 -4.003 1.00 0.00 O ATOM 0 H GLY A 50 -6.491 5.435 -5.557 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.825 6.957 -4.588 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.986 6.720 -5.880 1.00 0.00 H new ATOM 785 N LYS A 51 -8.812 4.439 -3.521 1.00 0.00 N ATOM 786 CA LYS A 51 -9.602 3.669 -2.568 1.00 0.00 C ATOM 787 C LYS A 51 -8.753 3.248 -1.372 1.00 0.00 C ATOM 788 O LYS A 51 -7.631 2.770 -1.536 1.00 0.00 O ATOM 789 CB LYS A 51 -10.194 2.432 -3.247 1.00 0.00 C ATOM 790 CG LYS A 51 -11.562 2.673 -3.863 1.00 0.00 C ATOM 791 CD LYS A 51 -11.449 3.171 -5.294 1.00 0.00 C ATOM 792 CE LYS A 51 -11.111 2.041 -6.253 1.00 0.00 C ATOM 793 NZ LYS A 51 -12.334 1.364 -6.765 1.00 0.00 N ATOM 0 H LYS A 51 -7.856 4.105 -3.643 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.413 4.303 -2.210 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.510 2.092 -4.024 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.271 1.628 -2.515 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.139 1.748 -3.843 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -12.108 3.403 -3.265 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.389 3.635 -5.594 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.680 3.941 -5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.536 2.436 -7.091 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.477 1.313 -5.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.061 0.600 -7.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.870 0.965 -5.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.927 2.053 -7.270 1.00 0.00 H new ATOM 807 N GLU A 52 -9.296 3.428 -0.173 1.00 0.00 N ATOM 808 CA GLU A 52 -8.588 3.065 1.049 1.00 0.00 C ATOM 809 C GLU A 52 -9.085 1.728 1.589 1.00 0.00 C ATOM 810 O GLU A 52 -10.290 1.492 1.682 1.00 0.00 O ATOM 811 CB GLU A 52 -8.765 4.154 2.109 1.00 0.00 C ATOM 812 CG GLU A 52 -8.155 5.489 1.718 1.00 0.00 C ATOM 813 CD GLU A 52 -8.891 6.667 2.326 1.00 0.00 C ATOM 814 OE1 GLU A 52 -10.133 6.721 2.198 1.00 0.00 O ATOM 815 OE2 GLU A 52 -8.226 7.535 2.930 1.00 0.00 O ATOM 0 H GLU A 52 -10.224 3.823 -0.021 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.529 2.969 0.810 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.829 4.293 2.301 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.314 3.817 3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.112 5.514 2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.161 5.583 0.632 1.00 0.00 H new ATOM 822 N GLY A 53 -8.148 0.854 1.945 1.00 0.00 N ATOM 823 CA GLY A 53 -8.510 -0.449 2.471 1.00 0.00 C ATOM 824 C GLY A 53 -7.413 -1.053 3.327 1.00 0.00 C ATOM 825 O GLY A 53 -6.313 -0.510 3.412 1.00 0.00 O ATOM 0 H GLY A 53 -7.145 1.025 1.878 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.421 -0.358 3.063 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.734 -1.122 1.644 1.00 0.00 H new ATOM 829 N TRP A 54 -7.715 -2.179 3.963 1.00 0.00 N ATOM 830 CA TRP A 54 -6.748 -2.856 4.818 1.00 0.00 C ATOM 831 C TRP A 54 -5.884 -3.818 4.008 1.00 0.00 C ATOM 832 O TRP A 54 -6.387 -4.785 3.435 1.00 0.00 O ATOM 833 CB TRP A 54 -7.466 -3.615 5.936 1.00 0.00 C ATOM 834 CG TRP A 54 -7.790 -2.758 7.122 1.00 0.00 C ATOM 835 CD1 TRP A 54 -9.033 -2.456 7.599 1.00 0.00 C ATOM 836 CD2 TRP A 54 -6.856 -2.090 7.978 1.00 0.00 C ATOM 837 NE1 TRP A 54 -8.929 -1.642 8.701 1.00 0.00 N ATOM 838 CE2 TRP A 54 -7.603 -1.403 8.954 1.00 0.00 C ATOM 839 CE3 TRP A 54 -5.462 -2.007 8.015 1.00 0.00 C ATOM 840 CZ2 TRP A 54 -7.002 -0.644 9.954 1.00 0.00 C ATOM 841 CZ3 TRP A 54 -4.866 -1.253 9.008 1.00 0.00 C ATOM 842 CH2 TRP A 54 -5.635 -0.580 9.967 1.00 0.00 C ATOM 0 H TRP A 54 -8.622 -2.642 3.903 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.100 -2.099 5.260 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -8.389 -4.041 5.542 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -6.842 -4.449 6.259 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -9.962 -2.806 7.173 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.711 -1.275 9.243 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.861 -2.523 7.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.593 -0.124 10.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.789 -1.181 9.046 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -5.139 0.000 10.731 1.00 0.00 H new ATOM 853 N ALA A 55 -4.584 -3.546 3.964 1.00 0.00 N ATOM 854 CA ALA A 55 -3.652 -4.389 3.226 1.00 0.00 C ATOM 855 C ALA A 55 -2.616 -5.009 4.157 1.00 0.00 C ATOM 856 O ALA A 55 -2.180 -4.399 5.133 1.00 0.00 O ATOM 857 CB ALA A 55 -2.966 -3.584 2.132 1.00 0.00 C ATOM 0 H ALA A 55 -4.152 -2.748 4.431 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.219 -5.198 2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.273 -4.226 1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.715 -3.194 1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.418 -2.755 2.580 1.00 0.00 H new ATOM 863 N PRO A 56 -2.214 -6.252 3.853 1.00 0.00 N ATOM 864 CA PRO A 56 -1.225 -6.982 4.651 1.00 0.00 C ATOM 865 C PRO A 56 0.175 -6.391 4.521 1.00 0.00 C ATOM 866 O PRO A 56 0.551 -5.889 3.462 1.00 0.00 O ATOM 867 CB PRO A 56 -1.267 -8.394 4.062 1.00 0.00 C ATOM 868 CG PRO A 56 -1.747 -8.207 2.664 1.00 0.00 C ATOM 869 CD PRO A 56 -2.694 -7.040 2.705 1.00 0.00 C ATOM 0 HA PRO A 56 -1.451 -6.943 5.717 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.282 -8.861 4.083 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.939 -9.039 4.628 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.914 -8.011 1.988 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.248 -9.104 2.300 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.662 -6.464 1.780 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.726 -7.364 2.843 1.00 0.00 H new ATOM 877 N ALA A 57 0.942 -6.456 5.604 1.00 0.00 N ATOM 878 CA ALA A 57 2.302 -5.930 5.610 1.00 0.00 C ATOM 879 C ALA A 57 3.288 -6.952 5.056 1.00 0.00 C ATOM 880 O ALA A 57 4.480 -6.902 5.355 1.00 0.00 O ATOM 881 CB ALA A 57 2.701 -5.517 7.020 1.00 0.00 C ATOM 0 H ALA A 57 0.645 -6.868 6.489 1.00 0.00 H new ATOM 0 HA ALA A 57 2.329 -5.052 4.965 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.718 -5.126 7.010 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.019 -4.746 7.380 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.651 -6.383 7.681 1.00 0.00 H new ATOM 887 N SER A 58 2.782 -7.877 4.247 1.00 0.00 N ATOM 888 CA SER A 58 3.618 -8.914 3.654 1.00 0.00 C ATOM 889 C SER A 58 3.687 -8.756 2.138 1.00 0.00 C ATOM 890 O SER A 58 4.623 -9.233 1.496 1.00 0.00 O ATOM 891 CB SER A 58 3.078 -10.301 4.010 1.00 0.00 C ATOM 892 OG SER A 58 4.002 -11.314 3.657 1.00 0.00 O ATOM 0 H SER A 58 1.797 -7.930 3.987 1.00 0.00 H new ATOM 0 HA SER A 58 4.625 -8.809 4.059 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.870 -10.350 5.079 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.133 -10.470 3.494 1.00 0.00 H new ATOM 0 HG SER A 58 3.634 -12.190 3.896 1.00 0.00 H new ATOM 898 N TYR A 59 2.691 -8.083 1.574 1.00 0.00 N ATOM 899 CA TYR A 59 2.636 -7.863 0.133 1.00 0.00 C ATOM 900 C TYR A 59 3.008 -6.424 -0.212 1.00 0.00 C ATOM 901 O TYR A 59 2.571 -5.885 -1.229 1.00 0.00 O ATOM 902 CB TYR A 59 1.238 -8.182 -0.399 1.00 0.00 C ATOM 903 CG TYR A 59 0.906 -9.656 -0.383 1.00 0.00 C ATOM 904 CD1 TYR A 59 0.878 -10.370 0.809 1.00 0.00 C ATOM 905 CD2 TYR A 59 0.622 -10.337 -1.560 1.00 0.00 C ATOM 906 CE1 TYR A 59 0.576 -11.718 0.828 1.00 0.00 C ATOM 907 CE2 TYR A 59 0.317 -11.684 -1.551 1.00 0.00 C ATOM 908 CZ TYR A 59 0.296 -12.371 -0.354 1.00 0.00 C ATOM 909 OH TYR A 59 -0.005 -13.713 -0.341 1.00 0.00 O ATOM 0 H TYR A 59 1.910 -7.680 2.092 1.00 0.00 H new ATOM 0 HA TYR A 59 3.358 -8.529 -0.339 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.500 -7.646 0.198 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.153 -7.810 -1.420 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.096 -9.862 1.737 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.640 -9.804 -2.499 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.559 -12.257 1.763 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.096 -12.197 -2.475 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.178 -14.018 -1.256 1.00 0.00 H new ATOM 919 N LEU A 60 3.820 -5.810 0.641 1.00 0.00 N ATOM 920 CA LEU A 60 4.253 -4.433 0.427 1.00 0.00 C ATOM 921 C LEU A 60 5.742 -4.279 0.723 1.00 0.00 C ATOM 922 O LEU A 60 6.274 -4.913 1.636 1.00 0.00 O ATOM 923 CB LEU A 60 3.445 -3.480 1.309 1.00 0.00 C ATOM 924 CG LEU A 60 1.924 -3.602 1.211 1.00 0.00 C ATOM 925 CD1 LEU A 60 1.257 -2.941 2.406 1.00 0.00 C ATOM 926 CD2 LEU A 60 1.422 -2.990 -0.089 1.00 0.00 C ATOM 0 H LEU A 60 4.192 -6.243 1.486 1.00 0.00 H new ATOM 0 HA LEU A 60 4.081 -4.182 -0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.736 -3.642 2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.725 -2.457 1.056 1.00 0.00 H new ATOM 0 HG LEU A 60 1.663 -4.660 1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.175 -3.038 2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.592 -3.425 3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.525 -1.885 2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.338 -3.086 -0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.695 -1.935 -0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.873 -3.510 -0.934 1.00 0.00 H new ATOM 938 N LYS A 61 6.410 -3.430 -0.052 1.00 0.00 N ATOM 939 CA LYS A 61 7.836 -3.189 0.129 1.00 0.00 C ATOM 940 C LYS A 61 8.167 -1.713 -0.067 1.00 0.00 C ATOM 941 O LYS A 61 7.745 -1.096 -1.045 1.00 0.00 O ATOM 942 CB LYS A 61 8.647 -4.039 -0.853 1.00 0.00 C ATOM 943 CG LYS A 61 8.490 -3.609 -2.302 1.00 0.00 C ATOM 944 CD LYS A 61 9.412 -4.395 -3.219 1.00 0.00 C ATOM 945 CE LYS A 61 10.830 -3.845 -3.189 1.00 0.00 C ATOM 946 NZ LYS A 61 11.655 -4.495 -2.132 1.00 0.00 N ATOM 0 H LYS A 61 5.986 -2.898 -0.812 1.00 0.00 H new ATOM 0 HA LYS A 61 8.100 -3.471 1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.701 -3.989 -0.580 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.342 -5.081 -0.757 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.456 -3.752 -2.615 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.706 -2.545 -2.392 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.420 -5.442 -2.917 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.029 -4.360 -4.239 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.299 -3.997 -4.161 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.799 -2.769 -3.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.932 -3.786 -1.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.102 -5.247 -1.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.508 -4.906 -2.561 1.00 0.00 H new ATOM 960 N LYS A 62 8.925 -1.153 0.870 1.00 0.00 N ATOM 961 CA LYS A 62 9.316 0.250 0.800 1.00 0.00 C ATOM 962 C LYS A 62 10.067 0.542 -0.496 1.00 0.00 C ATOM 963 O LYS A 62 11.141 -0.009 -0.739 1.00 0.00 O ATOM 964 CB LYS A 62 10.188 0.618 2.002 1.00 0.00 C ATOM 965 CG LYS A 62 10.055 2.071 2.428 1.00 0.00 C ATOM 966 CD LYS A 62 10.773 3.002 1.465 1.00 0.00 C ATOM 967 CE LYS A 62 10.256 4.427 1.578 1.00 0.00 C ATOM 968 NZ LYS A 62 10.956 5.348 0.640 1.00 0.00 N ATOM 0 H LYS A 62 9.281 -1.650 1.687 1.00 0.00 H new ATOM 0 HA LYS A 62 8.410 0.855 0.818 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.924 -0.024 2.842 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.231 0.413 1.760 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.000 2.341 2.479 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.465 2.196 3.430 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.843 2.985 1.671 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.639 2.645 0.444 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.186 4.442 1.371 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.388 4.781 2.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.852 6.328 0.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.966 5.101 0.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.540 5.259 -0.309 1.00 0.00 H new ATOM 982 N ALA A 63 9.497 1.413 -1.321 1.00 0.00 N ATOM 983 CA ALA A 63 10.115 1.780 -2.589 1.00 0.00 C ATOM 984 C ALA A 63 11.604 2.064 -2.412 1.00 0.00 C ATOM 985 O ALA A 63 12.450 1.366 -2.971 1.00 0.00 O ATOM 986 CB ALA A 63 9.413 2.990 -3.188 1.00 0.00 C ATOM 0 H ALA A 63 8.608 1.878 -1.134 1.00 0.00 H new ATOM 0 HA ALA A 63 10.011 0.938 -3.273 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.885 3.253 -4.135 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.363 2.753 -3.360 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.487 3.832 -2.499 1.00 0.00 H new ATOM 992 N LYS A 64 11.917 3.093 -1.632 1.00 0.00 N ATOM 993 CA LYS A 64 13.302 3.469 -1.382 1.00 0.00 C ATOM 994 C LYS A 64 14.059 3.667 -2.691 1.00 0.00 C ATOM 995 O LYS A 64 15.206 3.244 -2.827 1.00 0.00 O ATOM 996 CB LYS A 64 13.998 2.400 -0.536 1.00 0.00 C ATOM 997 CG LYS A 64 15.307 2.865 0.076 1.00 0.00 C ATOM 998 CD LYS A 64 15.875 1.829 1.033 1.00 0.00 C ATOM 999 CE LYS A 64 16.496 0.660 0.285 1.00 0.00 C ATOM 1000 NZ LYS A 64 17.134 -0.316 1.211 1.00 0.00 N ATOM 0 H LYS A 64 11.229 3.681 -1.162 1.00 0.00 H new ATOM 0 HA LYS A 64 13.302 4.413 -0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.325 2.085 0.262 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.188 1.524 -1.157 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.029 3.065 -0.716 1.00 0.00 H new ATOM 0 HG3 LYS A 64 15.148 3.804 0.607 1.00 0.00 H new ATOM 0 HD2 LYS A 64 16.626 2.295 1.671 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.083 1.464 1.687 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.728 0.155 -0.302 1.00 0.00 H new ATOM 0 HE3 LYS A 64 17.240 1.033 -0.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 17.545 -1.098 0.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 17.884 0.159 1.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.419 -0.692 1.866 1.00 0.00 H new ATOM 1014 N ASP A 65 13.409 4.315 -3.652 1.00 0.00 N ATOM 1015 CA ASP A 65 14.021 4.572 -4.951 1.00 0.00 C ATOM 1016 C ASP A 65 15.198 5.534 -4.816 1.00 0.00 C ATOM 1017 O ASP A 65 16.310 5.233 -5.248 1.00 0.00 O ATOM 1018 CB ASP A 65 12.987 5.144 -5.922 1.00 0.00 C ATOM 1019 CG ASP A 65 11.846 4.182 -6.186 1.00 0.00 C ATOM 1020 OD1 ASP A 65 12.106 3.089 -6.731 1.00 0.00 O ATOM 1021 OD2 ASP A 65 10.693 4.521 -5.847 1.00 0.00 O ATOM 0 H ASP A 65 12.458 4.672 -3.556 1.00 0.00 H new ATOM 0 HA ASP A 65 14.392 3.625 -5.344 1.00 0.00 H new ATOM 0 HB2 ASP A 65 12.588 6.074 -5.517 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.476 5.391 -6.865 1.00 0.00 H new ATOM 1026 N SER A 66 14.942 6.692 -4.215 1.00 0.00 N ATOM 1027 CA SER A 66 15.980 7.700 -4.029 1.00 0.00 C ATOM 1028 C SER A 66 17.192 7.107 -3.317 1.00 0.00 C ATOM 1029 O SER A 66 17.138 5.993 -2.798 1.00 0.00 O ATOM 1030 CB SER A 66 15.432 8.883 -3.227 1.00 0.00 C ATOM 1031 OG SER A 66 14.797 9.824 -4.075 1.00 0.00 O ATOM 0 H SER A 66 14.027 6.955 -3.849 1.00 0.00 H new ATOM 0 HA SER A 66 16.294 8.050 -5.013 1.00 0.00 H new ATOM 0 HB2 SER A 66 14.722 8.524 -2.482 1.00 0.00 H new ATOM 0 HB3 SER A 66 16.245 9.367 -2.686 1.00 0.00 H new ATOM 0 HG SER A 66 14.454 10.569 -3.538 1.00 0.00 H new ATOM 1037 N GLY A 67 18.287 7.861 -3.300 1.00 0.00 N ATOM 1038 CA GLY A 67 19.498 7.394 -2.651 1.00 0.00 C ATOM 1039 C GLY A 67 19.713 8.035 -1.294 1.00 0.00 C ATOM 1040 O GLY A 67 19.364 9.193 -1.069 1.00 0.00 O ATOM 0 H GLY A 67 18.357 8.786 -3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.450 6.311 -2.534 1.00 0.00 H new ATOM 0 HA3 GLY A 67 20.355 7.608 -3.290 1.00 0.00 H new ATOM 1044 N PRO A 68 20.298 7.270 -0.360 1.00 0.00 N ATOM 1045 CA PRO A 68 20.571 7.749 0.998 1.00 0.00 C ATOM 1046 C PRO A 68 21.671 8.804 1.032 1.00 0.00 C ATOM 1047 O PRO A 68 22.490 8.889 0.117 1.00 0.00 O ATOM 1048 CB PRO A 68 21.017 6.485 1.737 1.00 0.00 C ATOM 1049 CG PRO A 68 21.557 5.595 0.671 1.00 0.00 C ATOM 1050 CD PRO A 68 20.740 5.880 -0.559 1.00 0.00 C ATOM 0 HA PRO A 68 19.701 8.234 1.441 1.00 0.00 H new ATOM 0 HB2 PRO A 68 21.776 6.711 2.486 1.00 0.00 H new ATOM 0 HB3 PRO A 68 20.183 6.016 2.259 1.00 0.00 H new ATOM 0 HG2 PRO A 68 22.613 5.796 0.493 1.00 0.00 H new ATOM 0 HG3 PRO A 68 21.476 4.547 0.959 1.00 0.00 H new ATOM 0 HD2 PRO A 68 21.332 5.773 -1.468 1.00 0.00 H new ATOM 0 HD3 PRO A 68 19.894 5.198 -0.647 1.00 0.00 H new ATOM 1058 N SER A 69 21.685 9.604 2.093 1.00 0.00 N ATOM 1059 CA SER A 69 22.685 10.656 2.243 1.00 0.00 C ATOM 1060 C SER A 69 23.553 10.408 3.473 1.00 0.00 C ATOM 1061 O SER A 69 23.318 9.468 4.233 1.00 0.00 O ATOM 1062 CB SER A 69 22.005 12.022 2.352 1.00 0.00 C ATOM 1063 OG SER A 69 21.494 12.439 1.097 1.00 0.00 O ATOM 0 H SER A 69 21.016 9.544 2.861 1.00 0.00 H new ATOM 0 HA SER A 69 23.324 10.645 1.360 1.00 0.00 H new ATOM 0 HB2 SER A 69 21.195 11.971 3.079 1.00 0.00 H new ATOM 0 HB3 SER A 69 22.719 12.759 2.721 1.00 0.00 H new ATOM 0 HG SER A 69 21.063 13.314 1.194 1.00 0.00 H new ATOM 1069 N SER A 70 24.556 11.259 3.663 1.00 0.00 N ATOM 1070 CA SER A 70 25.463 11.131 4.798 1.00 0.00 C ATOM 1071 C SER A 70 24.951 11.928 5.993 1.00 0.00 C ATOM 1072 O SER A 70 25.033 13.156 6.017 1.00 0.00 O ATOM 1073 CB SER A 70 26.864 11.609 4.414 1.00 0.00 C ATOM 1074 OG SER A 70 27.427 10.785 3.408 1.00 0.00 O ATOM 0 H SER A 70 24.761 12.045 3.046 1.00 0.00 H new ATOM 0 HA SER A 70 25.510 10.079 5.078 1.00 0.00 H new ATOM 0 HB2 SER A 70 26.816 12.639 4.060 1.00 0.00 H new ATOM 0 HB3 SER A 70 27.507 11.604 5.294 1.00 0.00 H new ATOM 0 HG SER A 70 28.322 11.113 3.179 1.00 0.00 H new ATOM 1080 N GLY A 71 24.422 11.220 6.987 1.00 0.00 N ATOM 1081 CA GLY A 71 23.904 11.877 8.173 1.00 0.00 C ATOM 1082 C GLY A 71 22.423 12.181 8.067 1.00 0.00 C ATOM 1083 O GLY A 71 21.988 13.292 8.371 1.00 0.00 O ATOM 0 H GLY A 71 24.343 10.203 6.992 1.00 0.00 H new ATOM 0 HA2 GLY A 71 24.080 11.243 9.042 1.00 0.00 H new ATOM 0 HA3 GLY A 71 24.451 12.805 8.339 1.00 0.00 H new TER 1087 GLY A 71