USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 552 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 0 HIS : no HD1:sc=-0.00181 X(o=-0.0018,f=-0.058) USER MOD Single : A 1 MET CE :methyl 164:sc=-0.00773 (180deg=-0.214) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl -156:sc= -0.0251 (180deg=-0.662) USER MOD Single : A 7 LYS NZ :NH3+ -125:sc= -1.14 (180deg=-5.29!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 43:sc= -0.0865 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -160:sc= -0.0349 (180deg=-0.283) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0972) USER MOD Single : A 28 THR OG1 : rot -160:sc= -2.53 USER MOD Single : A 32 LYS NZ :NH3+ -166:sc= -0.0266 (180deg=-0.199) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 66:sc= 0.967 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.166 K(o=-0.17,f=-2.3!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.881 X(o=-0.88,f=-1) USER MOD Single : A 58 LYS NZ :NH3+ -147:sc= 0.26 (180deg=0.0103) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 23.298 -2.809 16.216 1.00 62.10 N ATOM 2 CA GLY A -2 23.111 -1.760 15.232 1.00 61.23 C ATOM 3 C GLY A -2 21.734 -1.796 14.600 1.00 1.50 C ATOM 4 O GLY A -2 20.798 -1.173 15.102 1.00 72.35 O ATOM 0 H1 GLY A -2 24.255 -2.741 16.618 1.00 62.10 H new ATOM 0 H2 GLY A -2 22.595 -2.703 16.975 1.00 62.10 H new ATOM 0 H3 GLY A -2 23.179 -3.737 15.761 1.00 62.10 H new ATOM 0 HA2 GLY A -2 23.265 -0.790 15.706 1.00 61.23 H new ATOM 0 HA3 GLY A -2 23.867 -1.858 14.453 1.00 61.23 H new ATOM 8 N SER A -1 21.610 -2.523 13.495 1.00 34.35 N ATOM 9 CA SER A -1 20.337 -2.632 12.791 1.00 21.33 C ATOM 10 C SER A -1 19.617 -3.924 13.168 1.00 54.20 C ATOM 11 O SER A -1 20.186 -5.013 13.086 1.00 53.41 O ATOM 12 CB SER A -1 20.562 -2.583 11.278 1.00 13.24 C ATOM 13 OG SER A -1 19.330 -2.494 10.583 1.00 50.44 O ATOM 0 H SER A -1 22.375 -3.045 13.067 1.00 34.35 H new ATOM 0 HA SER A -1 19.712 -1.789 13.086 1.00 21.33 H new ATOM 0 HB2 SER A -1 21.187 -1.726 11.028 1.00 13.24 H new ATOM 0 HB3 SER A -1 21.100 -3.475 10.958 1.00 13.24 H new ATOM 0 HG SER A -1 19.500 -2.462 9.618 1.00 50.44 H new ATOM 19 N HIS A 0 18.360 -3.794 13.583 1.00 41.00 N ATOM 20 CA HIS A 0 17.560 -4.949 13.973 1.00 63.25 C ATOM 21 C HIS A 0 16.382 -5.138 13.022 1.00 33.44 C ATOM 22 O HIS A 0 15.871 -6.248 12.866 1.00 13.24 O ATOM 23 CB HIS A 0 17.054 -4.785 15.406 1.00 14.30 C ATOM 24 CG HIS A 0 16.441 -6.030 15.970 1.00 3.33 C ATOM 25 ND1 HIS A 0 17.058 -7.262 15.923 1.00 43.55 N ATOM 26 CD2 HIS A 0 15.258 -6.227 16.599 1.00 55.04 C ATOM 27 CE1 HIS A 0 16.281 -8.163 16.497 1.00 73.05 C ATOM 28 NE2 HIS A 0 15.183 -7.561 16.916 1.00 54.35 N ATOM 0 H HIS A 0 17.874 -2.900 13.658 1.00 41.00 H new ATOM 0 HA HIS A 0 18.193 -5.835 13.920 1.00 63.25 H new ATOM 0 HB2 HIS A 0 17.884 -4.478 16.043 1.00 14.30 H new ATOM 0 HB3 HIS A 0 16.317 -3.982 15.433 1.00 14.30 H new ATOM 0 HD2 HIS A 0 14.512 -5.475 16.812 1.00 55.04 H new ATOM 0 HE1 HIS A 0 16.506 -9.214 16.605 1.00 73.05 H new ATOM 0 HE2 HIS A 0 14.406 -8.013 17.397 1.00 54.35 H new ATOM 36 N MET A 1 15.955 -4.050 12.391 1.00 3.11 N ATOM 37 CA MET A 1 14.837 -4.098 11.456 1.00 3.43 C ATOM 38 C MET A 1 15.054 -5.180 10.403 1.00 42.31 C ATOM 39 O MET A 1 16.042 -5.155 9.669 1.00 41.22 O ATOM 40 CB MET A 1 14.652 -2.739 10.780 1.00 71.14 C ATOM 41 CG MET A 1 13.238 -2.498 10.274 1.00 62.22 C ATOM 42 SD MET A 1 12.125 -1.927 11.572 1.00 12.03 S ATOM 43 CE MET A 1 12.669 -0.231 11.764 1.00 33.42 C ATOM 0 H MET A 1 16.366 -3.124 12.510 1.00 3.11 H new ATOM 0 HA MET A 1 13.935 -4.341 12.018 1.00 3.43 H new ATOM 0 HB2 MET A 1 14.915 -1.952 11.487 1.00 71.14 H new ATOM 0 HB3 MET A 1 15.346 -2.661 9.944 1.00 71.14 H new ATOM 0 HG2 MET A 1 13.264 -1.760 9.472 1.00 62.22 H new ATOM 0 HG3 MET A 1 12.847 -3.421 9.845 1.00 62.22 H new ATOM 0 HE1 MET A 1 11.914 0.334 12.311 1.00 33.42 H new ATOM 0 HE2 MET A 1 13.608 -0.211 12.317 1.00 33.42 H new ATOM 0 HE3 MET A 1 12.817 0.217 10.781 1.00 33.42 H new ATOM 53 N VAL A 2 14.126 -6.128 10.334 1.00 44.43 N ATOM 54 CA VAL A 2 14.216 -7.218 9.370 1.00 41.52 C ATOM 55 C VAL A 2 12.914 -7.373 8.592 1.00 42.13 C ATOM 56 O VAL A 2 11.828 -7.171 9.135 1.00 41.32 O ATOM 57 CB VAL A 2 14.551 -8.553 10.060 1.00 5.05 C ATOM 58 CG1 VAL A 2 15.978 -8.538 10.588 1.00 51.13 C ATOM 59 CG2 VAL A 2 13.563 -8.834 11.183 1.00 13.20 C ATOM 0 H VAL A 2 13.302 -6.164 10.935 1.00 44.43 H new ATOM 0 HA VAL A 2 15.020 -6.963 8.680 1.00 41.52 H new ATOM 0 HB VAL A 2 14.469 -9.353 9.324 1.00 5.05 H new ATOM 0 HG11 VAL A 2 16.197 -9.490 11.072 1.00 51.13 H new ATOM 0 HG12 VAL A 2 16.671 -8.384 9.760 1.00 51.13 H new ATOM 0 HG13 VAL A 2 16.090 -7.729 11.310 1.00 51.13 H new ATOM 0 HG21 VAL A 2 13.814 -9.781 11.660 1.00 13.20 H new ATOM 0 HG22 VAL A 2 13.612 -8.032 11.920 1.00 13.20 H new ATOM 0 HG23 VAL A 2 12.554 -8.890 10.774 1.00 13.20 H new ATOM 69 N GLU A 3 13.031 -7.734 7.318 1.00 25.33 N ATOM 70 CA GLU A 3 11.862 -7.916 6.467 1.00 75.23 C ATOM 71 C GLU A 3 10.982 -6.670 6.475 1.00 25.00 C ATOM 72 O GLU A 3 9.756 -6.763 6.437 1.00 61.03 O ATOM 73 CB GLU A 3 11.051 -9.130 6.927 1.00 60.00 C ATOM 74 CG GLU A 3 11.904 -10.349 7.236 1.00 22.05 C ATOM 75 CD GLU A 3 12.761 -10.775 6.062 1.00 50.23 C ATOM 76 OE1 GLU A 3 12.193 -11.230 5.047 1.00 72.04 O ATOM 77 OE2 GLU A 3 14.001 -10.654 6.156 1.00 13.24 O ATOM 0 H GLU A 3 13.923 -7.906 6.853 1.00 25.33 H new ATOM 0 HA GLU A 3 12.211 -8.086 5.448 1.00 75.23 H new ATOM 0 HB2 GLU A 3 10.482 -8.860 7.816 1.00 60.00 H new ATOM 0 HB3 GLU A 3 10.329 -9.389 6.153 1.00 60.00 H new ATOM 0 HG2 GLU A 3 12.546 -10.131 8.089 1.00 22.05 H new ATOM 0 HG3 GLU A 3 11.257 -11.176 7.527 1.00 22.05 H new ATOM 84 N MET A 4 11.618 -5.504 6.528 1.00 24.15 N ATOM 85 CA MET A 4 10.894 -4.239 6.543 1.00 12.42 C ATOM 86 C MET A 4 9.995 -4.113 5.317 1.00 15.30 C ATOM 87 O MET A 4 9.977 -4.993 4.456 1.00 74.25 O ATOM 88 CB MET A 4 11.875 -3.065 6.592 1.00 34.23 C ATOM 89 CG MET A 4 12.726 -2.931 5.341 1.00 74.32 C ATOM 90 SD MET A 4 14.453 -3.364 5.625 1.00 52.24 S ATOM 91 CE MET A 4 15.269 -1.858 5.103 1.00 64.04 C ATOM 0 H MET A 4 12.633 -5.409 6.561 1.00 24.15 H new ATOM 0 HA MET A 4 10.268 -4.218 7.435 1.00 12.42 H new ATOM 0 HB2 MET A 4 11.316 -2.141 6.742 1.00 34.23 H new ATOM 0 HB3 MET A 4 12.529 -3.185 7.455 1.00 34.23 H new ATOM 0 HG2 MET A 4 12.319 -3.572 4.559 1.00 74.32 H new ATOM 0 HG3 MET A 4 12.668 -1.906 4.975 1.00 74.32 H new ATOM 0 HE1 MET A 4 16.347 -1.969 5.219 1.00 64.04 H new ATOM 0 HE2 MET A 4 15.035 -1.661 4.057 1.00 64.04 H new ATOM 0 HE3 MET A 4 14.922 -1.025 5.715 1.00 64.04 H new ATOM 101 N ARG A 5 9.249 -3.016 5.245 1.00 45.04 N ATOM 102 CA ARG A 5 8.348 -2.777 4.125 1.00 53.53 C ATOM 103 C ARG A 5 7.787 -1.357 4.171 1.00 32.44 C ATOM 104 O ARG A 5 7.775 -0.719 5.223 1.00 11.11 O ATOM 105 CB ARG A 5 7.202 -3.790 4.140 1.00 33.10 C ATOM 106 CG ARG A 5 6.064 -3.408 5.072 1.00 53.51 C ATOM 107 CD ARG A 5 6.536 -3.298 6.513 1.00 1.34 C ATOM 108 NE ARG A 5 7.148 -4.538 6.985 1.00 31.11 N ATOM 109 CZ ARG A 5 7.606 -4.708 8.219 1.00 4.12 C ATOM 110 NH1 ARG A 5 7.522 -3.723 9.103 1.00 63.25 N ATOM 111 NH2 ARG A 5 8.150 -5.866 8.573 1.00 3.24 N ATOM 0 H ARG A 5 9.251 -2.278 5.950 1.00 45.04 H new ATOM 0 HA ARG A 5 8.916 -2.895 3.202 1.00 53.53 H new ATOM 0 HB2 ARG A 5 6.811 -3.899 3.128 1.00 33.10 H new ATOM 0 HB3 ARG A 5 7.593 -4.763 4.437 1.00 33.10 H new ATOM 0 HG2 ARG A 5 5.636 -2.457 4.755 1.00 53.51 H new ATOM 0 HG3 ARG A 5 5.271 -4.153 5.004 1.00 53.51 H new ATOM 0 HD2 ARG A 5 7.256 -2.484 6.598 1.00 1.34 H new ATOM 0 HD3 ARG A 5 5.691 -3.044 7.153 1.00 1.34 H new ATOM 0 HE ARG A 5 7.228 -5.316 6.330 1.00 31.11 H new ATOM 0 HH11 ARG A 5 7.104 -2.832 8.835 1.00 63.25 H new ATOM 0 HH12 ARG A 5 7.875 -3.857 10.051 1.00 63.25 H new ATOM 0 HH21 ARG A 5 8.216 -6.626 7.896 1.00 3.24 H new ATOM 0 HH22 ARG A 5 8.502 -5.995 9.522 1.00 3.24 H new ATOM 125 N MET A 6 7.324 -0.872 3.024 1.00 1.24 N ATOM 126 CA MET A 6 6.761 0.471 2.935 1.00 20.52 C ATOM 127 C MET A 6 6.182 0.725 1.548 1.00 42.55 C ATOM 128 O MET A 6 6.074 -0.189 0.730 1.00 12.33 O ATOM 129 CB MET A 6 7.831 1.516 3.254 1.00 2.52 C ATOM 130 CG MET A 6 8.822 1.738 2.124 1.00 21.34 C ATOM 131 SD MET A 6 10.472 2.155 2.718 1.00 45.51 S ATOM 132 CE MET A 6 10.080 3.360 3.985 1.00 11.20 C ATOM 0 H MET A 6 7.327 -1.388 2.144 1.00 1.24 H new ATOM 0 HA MET A 6 5.956 0.551 3.665 1.00 20.52 H new ATOM 0 HB2 MET A 6 7.344 2.462 3.490 1.00 2.52 H new ATOM 0 HB3 MET A 6 8.374 1.206 4.147 1.00 2.52 H new ATOM 0 HG2 MET A 6 8.877 0.837 1.512 1.00 21.34 H new ATOM 0 HG3 MET A 6 8.459 2.539 1.480 1.00 21.34 H new ATOM 0 HE1 MET A 6 10.939 4.011 4.146 1.00 11.20 H new ATOM 0 HE2 MET A 6 9.226 3.958 3.666 1.00 11.20 H new ATOM 0 HE3 MET A 6 9.836 2.845 4.914 1.00 11.20 H new ATOM 142 N LYS A 7 5.809 1.975 1.287 1.00 31.11 N ATOM 143 CA LYS A 7 5.242 2.351 -0.002 1.00 12.54 C ATOM 144 C LYS A 7 5.987 3.541 -0.597 1.00 40.44 C ATOM 145 O LYS A 7 6.898 4.090 0.022 1.00 11.21 O ATOM 146 CB LYS A 7 3.757 2.689 0.151 1.00 62.11 C ATOM 147 CG LYS A 7 3.472 3.693 1.256 1.00 54.15 C ATOM 148 CD LYS A 7 2.286 3.266 2.104 1.00 65.52 C ATOM 149 CE LYS A 7 1.018 3.149 1.272 1.00 60.12 C ATOM 150 NZ LYS A 7 -0.130 2.649 2.078 1.00 65.03 N ATOM 0 H LYS A 7 5.890 2.744 1.952 1.00 31.11 H new ATOM 0 HA LYS A 7 5.348 1.504 -0.679 1.00 12.54 H new ATOM 0 HB2 LYS A 7 3.384 3.085 -0.793 1.00 62.11 H new ATOM 0 HB3 LYS A 7 3.203 1.772 0.353 1.00 62.11 H new ATOM 0 HG2 LYS A 7 4.353 3.799 1.889 1.00 54.15 H new ATOM 0 HG3 LYS A 7 3.274 4.671 0.818 1.00 54.15 H new ATOM 0 HD2 LYS A 7 2.502 2.308 2.577 1.00 65.52 H new ATOM 0 HD3 LYS A 7 2.131 3.989 2.905 1.00 65.52 H new ATOM 0 HE2 LYS A 7 0.769 4.123 0.851 1.00 60.12 H new ATOM 0 HE3 LYS A 7 1.194 2.475 0.434 1.00 60.12 H new ATOM 0 HZ1 LYS A 7 -0.534 1.806 1.622 1.00 65.03 H new ATOM 0 HZ2 LYS A 7 0.198 2.402 3.033 1.00 65.03 H new ATOM 0 HZ3 LYS A 7 -0.857 3.390 2.143 1.00 65.03 H new ATOM 164 N LYS A 8 5.592 3.938 -1.803 1.00 3.23 N ATOM 165 CA LYS A 8 6.219 5.065 -2.482 1.00 62.15 C ATOM 166 C LYS A 8 5.201 5.833 -3.318 1.00 20.11 C ATOM 167 O LYS A 8 4.243 5.253 -3.833 1.00 31.24 O ATOM 168 CB LYS A 8 7.364 4.577 -3.373 1.00 14.00 C ATOM 169 CG LYS A 8 8.218 5.700 -3.935 1.00 63.40 C ATOM 170 CD LYS A 8 9.140 5.202 -5.036 1.00 22.40 C ATOM 171 CE LYS A 8 8.391 5.006 -6.344 1.00 14.00 C ATOM 172 NZ LYS A 8 9.250 5.299 -7.525 1.00 63.52 N ATOM 0 H LYS A 8 4.840 3.495 -2.330 1.00 3.23 H new ATOM 0 HA LYS A 8 6.619 5.737 -1.723 1.00 62.15 H new ATOM 0 HB2 LYS A 8 7.998 3.902 -2.798 1.00 14.00 H new ATOM 0 HB3 LYS A 8 6.950 3.999 -4.199 1.00 14.00 H new ATOM 0 HG2 LYS A 8 7.574 6.487 -4.327 1.00 63.40 H new ATOM 0 HG3 LYS A 8 8.811 6.143 -3.135 1.00 63.40 H new ATOM 0 HD2 LYS A 8 9.951 5.915 -5.183 1.00 22.40 H new ATOM 0 HD3 LYS A 8 9.596 4.260 -4.732 1.00 22.40 H new ATOM 0 HE2 LYS A 8 8.028 3.980 -6.404 1.00 14.00 H new ATOM 0 HE3 LYS A 8 7.516 5.655 -6.362 1.00 14.00 H new ATOM 0 HZ1 LYS A 8 8.702 5.154 -8.397 1.00 63.52 H new ATOM 0 HZ2 LYS A 8 9.576 6.286 -7.481 1.00 63.52 H new ATOM 0 HZ3 LYS A 8 10.073 4.663 -7.522 1.00 63.52 H new ATOM 186 N CYS A 9 5.414 7.137 -3.451 1.00 54.14 N ATOM 187 CA CYS A 9 4.514 7.984 -4.227 1.00 31.34 C ATOM 188 C CYS A 9 4.670 7.719 -5.720 1.00 71.42 C ATOM 189 O CYS A 9 5.730 7.941 -6.307 1.00 12.33 O ATOM 190 CB CYS A 9 4.783 9.458 -3.926 1.00 11.41 C ATOM 191 SG CYS A 9 3.609 10.595 -4.702 1.00 4.15 S ATOM 0 H CYS A 9 6.202 7.631 -3.032 1.00 54.14 H new ATOM 0 HA CYS A 9 3.490 7.744 -3.940 1.00 31.34 H new ATOM 0 HB2 CYS A 9 4.759 9.608 -2.847 1.00 11.41 H new ATOM 0 HB3 CYS A 9 5.790 9.708 -4.260 1.00 11.41 H new ATOM 196 N PRO A 10 3.593 7.232 -6.352 1.00 12.52 N ATOM 197 CA PRO A 10 3.585 6.925 -7.785 1.00 52.12 C ATOM 198 C PRO A 10 3.644 8.182 -8.647 1.00 21.14 C ATOM 199 O PRO A 10 3.756 8.104 -9.870 1.00 54.24 O ATOM 200 CB PRO A 10 2.252 6.200 -7.986 1.00 73.15 C ATOM 201 CG PRO A 10 1.382 6.694 -6.883 1.00 30.43 C ATOM 202 CD PRO A 10 2.296 6.943 -5.715 1.00 74.13 C ATOM 0 HA PRO A 10 4.454 6.337 -8.081 1.00 52.12 H new ATOM 0 HB2 PRO A 10 1.821 6.426 -8.961 1.00 73.15 H new ATOM 0 HB3 PRO A 10 2.378 5.118 -7.937 1.00 73.15 H new ATOM 0 HG2 PRO A 10 0.863 7.607 -7.174 1.00 30.43 H new ATOM 0 HG3 PRO A 10 0.617 5.960 -6.630 1.00 30.43 H new ATOM 0 HD2 PRO A 10 1.952 7.779 -5.107 1.00 74.13 H new ATOM 0 HD3 PRO A 10 2.355 6.075 -5.059 1.00 74.13 H new ATOM 210 N LYS A 11 3.568 9.340 -8.001 1.00 52.33 N ATOM 211 CA LYS A 11 3.613 10.615 -8.708 1.00 63.23 C ATOM 212 C LYS A 11 5.029 11.182 -8.716 1.00 61.41 C ATOM 213 O LYS A 11 5.516 11.647 -9.748 1.00 31.44 O ATOM 214 CB LYS A 11 2.656 11.616 -8.058 1.00 44.31 C ATOM 215 CG LYS A 11 1.405 11.882 -8.878 1.00 54.15 C ATOM 216 CD LYS A 11 0.513 10.655 -8.948 1.00 11.42 C ATOM 217 CE LYS A 11 -0.619 10.845 -9.945 1.00 53.43 C ATOM 218 NZ LYS A 11 -1.631 11.822 -9.458 1.00 0.12 N ATOM 0 H LYS A 11 3.475 9.422 -6.989 1.00 52.33 H new ATOM 0 HA LYS A 11 3.303 10.442 -9.739 1.00 63.23 H new ATOM 0 HB2 LYS A 11 2.364 11.242 -7.076 1.00 44.31 H new ATOM 0 HB3 LYS A 11 3.182 12.557 -7.897 1.00 44.31 H new ATOM 0 HG2 LYS A 11 0.851 12.711 -8.439 1.00 54.15 H new ATOM 0 HG3 LYS A 11 1.687 12.186 -9.886 1.00 54.15 H new ATOM 0 HD2 LYS A 11 1.108 9.787 -9.233 1.00 11.42 H new ATOM 0 HD3 LYS A 11 0.099 10.448 -7.961 1.00 11.42 H new ATOM 0 HE2 LYS A 11 -0.211 11.188 -10.896 1.00 53.43 H new ATOM 0 HE3 LYS A 11 -1.102 9.886 -10.133 1.00 53.43 H new ATOM 0 HZ1 LYS A 11 -2.385 11.923 -10.167 1.00 0.12 H new ATOM 0 HZ2 LYS A 11 -2.039 11.482 -8.564 1.00 0.12 H new ATOM 0 HZ3 LYS A 11 -1.176 12.744 -9.303 1.00 0.12 H new ATOM 232 N CYS A 12 5.685 11.140 -7.561 1.00 72.21 N ATOM 233 CA CYS A 12 7.047 11.649 -7.436 1.00 73.10 C ATOM 234 C CYS A 12 8.047 10.503 -7.319 1.00 51.15 C ATOM 235 O CYS A 12 8.982 10.399 -8.112 1.00 62.43 O ATOM 236 CB CYS A 12 7.160 12.566 -6.218 1.00 42.42 C ATOM 237 SG CYS A 12 5.783 13.724 -6.036 1.00 45.25 S ATOM 0 H CYS A 12 5.296 10.759 -6.698 1.00 72.21 H new ATOM 0 HA CYS A 12 7.280 12.220 -8.335 1.00 73.10 H new ATOM 0 HB2 CYS A 12 7.226 11.952 -5.319 1.00 42.42 H new ATOM 0 HB3 CYS A 12 8.089 13.131 -6.287 1.00 42.42 H new ATOM 242 N GLY A 13 7.843 9.645 -6.324 1.00 65.23 N ATOM 243 CA GLY A 13 8.736 8.520 -6.121 1.00 60.33 C ATOM 244 C GLY A 13 9.408 8.550 -4.762 1.00 51.12 C ATOM 245 O GLY A 13 10.527 8.061 -4.603 1.00 34.30 O ATOM 0 H GLY A 13 7.075 9.709 -5.655 1.00 65.23 H new ATOM 0 HA2 GLY A 13 8.175 7.591 -6.225 1.00 60.33 H new ATOM 0 HA3 GLY A 13 9.499 8.520 -6.900 1.00 60.33 H new ATOM 249 N LEU A 14 8.725 9.128 -3.780 1.00 32.31 N ATOM 250 CA LEU A 14 9.262 9.221 -2.427 1.00 43.44 C ATOM 251 C LEU A 14 8.752 8.078 -1.557 1.00 33.15 C ATOM 252 O LEU A 14 7.552 7.802 -1.518 1.00 11.12 O ATOM 253 CB LEU A 14 8.883 10.565 -1.799 1.00 33.43 C ATOM 254 CG LEU A 14 8.836 10.600 -0.270 1.00 70.14 C ATOM 255 CD1 LEU A 14 10.207 10.297 0.313 1.00 2.20 C ATOM 256 CD2 LEU A 14 8.335 11.952 0.215 1.00 64.12 C ATOM 0 H LEU A 14 7.799 9.539 -3.895 1.00 32.31 H new ATOM 0 HA LEU A 14 10.348 9.148 -2.488 1.00 43.44 H new ATOM 0 HB2 LEU A 14 9.596 11.316 -2.138 1.00 33.43 H new ATOM 0 HB3 LEU A 14 7.905 10.859 -2.180 1.00 33.43 H new ATOM 0 HG LEU A 14 8.142 9.833 0.072 1.00 70.14 H new ATOM 0 HD11 LEU A 14 10.154 10.326 1.401 1.00 2.20 H new ATOM 0 HD12 LEU A 14 10.528 9.306 -0.008 1.00 2.20 H new ATOM 0 HD13 LEU A 14 10.923 11.041 -0.036 1.00 2.20 H new ATOM 0 HD21 LEU A 14 8.308 11.960 1.305 1.00 64.12 H new ATOM 0 HD22 LEU A 14 9.005 12.736 -0.137 1.00 64.12 H new ATOM 0 HD23 LEU A 14 7.333 12.130 -0.175 1.00 64.12 H new ATOM 268 N TYR A 15 9.669 7.417 -0.859 1.00 73.04 N ATOM 269 CA TYR A 15 9.311 6.302 0.010 1.00 43.24 C ATOM 270 C TYR A 15 8.833 6.803 1.369 1.00 63.41 C ATOM 271 O TYR A 15 9.313 7.819 1.874 1.00 55.40 O ATOM 272 CB TYR A 15 10.507 5.365 0.190 1.00 4.31 C ATOM 273 CG TYR A 15 10.722 4.426 -0.975 1.00 24.22 C ATOM 274 CD1 TYR A 15 11.455 4.824 -2.086 1.00 73.22 C ATOM 275 CD2 TYR A 15 10.194 3.141 -0.964 1.00 45.44 C ATOM 276 CE1 TYR A 15 11.654 3.970 -3.154 1.00 13.41 C ATOM 277 CE2 TYR A 15 10.389 2.280 -2.026 1.00 75.01 C ATOM 278 CZ TYR A 15 11.119 2.699 -3.119 1.00 33.20 C ATOM 279 OH TYR A 15 11.316 1.845 -4.180 1.00 32.14 O ATOM 0 H TYR A 15 10.665 7.634 -0.878 1.00 73.04 H new ATOM 0 HA TYR A 15 8.496 5.753 -0.461 1.00 43.24 H new ATOM 0 HB2 TYR A 15 11.407 5.962 0.335 1.00 4.31 H new ATOM 0 HB3 TYR A 15 10.364 4.778 1.097 1.00 4.31 H new ATOM 0 HD1 TYR A 15 11.877 5.818 -2.115 1.00 73.22 H new ATOM 0 HD2 TYR A 15 9.621 2.810 -0.110 1.00 45.44 H new ATOM 0 HE1 TYR A 15 12.225 4.296 -4.011 1.00 13.41 H new ATOM 0 HE2 TYR A 15 9.972 1.284 -2.001 1.00 75.01 H new ATOM 0 HH TYR A 15 10.875 0.989 -3.997 1.00 32.14 H new ATOM 289 N THR A 16 7.885 6.082 1.958 1.00 14.02 N ATOM 290 CA THR A 16 7.340 6.451 3.258 1.00 44.21 C ATOM 291 C THR A 16 6.371 5.393 3.769 1.00 11.54 C ATOM 292 O THR A 16 6.141 4.377 3.112 1.00 32.04 O ATOM 293 CB THR A 16 6.614 7.810 3.198 1.00 21.14 C ATOM 294 OG1 THR A 16 6.251 8.229 4.518 1.00 3.21 O ATOM 295 CG2 THR A 16 5.370 7.720 2.328 1.00 1.25 C ATOM 0 H THR A 16 7.478 5.238 1.555 1.00 14.02 H new ATOM 0 HA THR A 16 8.184 6.528 3.944 1.00 44.21 H new ATOM 0 HB THR A 16 7.292 8.542 2.759 1.00 21.14 H new ATOM 0 HG1 THR A 16 6.996 8.059 5.132 1.00 3.21 H new ATOM 0 HG21 THR A 16 4.874 8.690 2.301 1.00 1.25 H new ATOM 0 HG22 THR A 16 5.654 7.429 1.317 1.00 1.25 H new ATOM 0 HG23 THR A 16 4.689 6.976 2.742 1.00 1.25 H new ATOM 303 N LEU A 17 5.803 5.636 4.946 1.00 11.23 N ATOM 304 CA LEU A 17 4.856 4.702 5.546 1.00 15.34 C ATOM 305 C LEU A 17 3.586 5.423 5.987 1.00 20.34 C ATOM 306 O LEU A 17 2.682 4.815 6.562 1.00 3.50 O ATOM 307 CB LEU A 17 5.495 3.994 6.741 1.00 70.43 C ATOM 308 CG LEU A 17 6.481 2.872 6.408 1.00 41.43 C ATOM 309 CD1 LEU A 17 7.561 2.778 7.474 1.00 71.44 C ATOM 310 CD2 LEU A 17 5.750 1.545 6.267 1.00 72.10 C ATOM 0 H LEU A 17 5.982 6.471 5.503 1.00 11.23 H new ATOM 0 HA LEU A 17 4.588 3.960 4.793 1.00 15.34 H new ATOM 0 HB2 LEU A 17 6.014 4.739 7.345 1.00 70.43 H new ATOM 0 HB3 LEU A 17 4.699 3.580 7.360 1.00 70.43 H new ATOM 0 HG LEU A 17 6.959 3.103 5.456 1.00 41.43 H new ATOM 0 HD11 LEU A 17 8.253 1.975 7.221 1.00 71.44 H new ATOM 0 HD12 LEU A 17 8.104 3.722 7.526 1.00 71.44 H new ATOM 0 HD13 LEU A 17 7.101 2.570 8.440 1.00 71.44 H new ATOM 0 HD21 LEU A 17 6.466 0.758 6.030 1.00 72.10 H new ATOM 0 HD22 LEU A 17 5.245 1.306 7.203 1.00 72.10 H new ATOM 0 HD23 LEU A 17 5.014 1.618 5.466 1.00 72.10 H new ATOM 322 N LYS A 18 3.523 6.722 5.714 1.00 32.44 N ATOM 323 CA LYS A 18 2.363 7.526 6.080 1.00 74.04 C ATOM 324 C LYS A 18 1.233 7.338 5.072 1.00 10.42 C ATOM 325 O LYS A 18 0.155 7.912 5.224 1.00 42.42 O ATOM 326 CB LYS A 18 2.748 9.005 6.161 1.00 61.04 C ATOM 327 CG LYS A 18 3.649 9.336 7.338 1.00 35.13 C ATOM 328 CD LYS A 18 2.849 9.515 8.618 1.00 62.15 C ATOM 329 CE LYS A 18 3.595 8.963 9.824 1.00 75.24 C ATOM 330 NZ LYS A 18 4.195 10.048 10.649 1.00 32.22 N ATOM 0 H LYS A 18 4.262 7.241 5.240 1.00 32.44 H new ATOM 0 HA LYS A 18 2.014 7.194 7.058 1.00 74.04 H new ATOM 0 HB2 LYS A 18 3.251 9.292 5.237 1.00 61.04 H new ATOM 0 HB3 LYS A 18 1.840 9.605 6.229 1.00 61.04 H new ATOM 0 HG2 LYS A 18 4.380 8.539 7.473 1.00 35.13 H new ATOM 0 HG3 LYS A 18 4.207 10.248 7.126 1.00 35.13 H new ATOM 0 HD2 LYS A 18 2.639 10.573 8.772 1.00 62.15 H new ATOM 0 HD3 LYS A 18 1.888 9.010 8.521 1.00 62.15 H new ATOM 0 HE2 LYS A 18 2.911 8.377 10.437 1.00 75.24 H new ATOM 0 HE3 LYS A 18 4.380 8.286 9.487 1.00 75.24 H new ATOM 0 HZ1 LYS A 18 4.694 9.631 11.461 1.00 32.22 H new ATOM 0 HZ2 LYS A 18 4.867 10.592 10.071 1.00 32.22 H new ATOM 0 HZ3 LYS A 18 3.443 10.679 10.992 1.00 32.22 H new ATOM 344 N GLU A 19 1.487 6.531 4.048 1.00 51.41 N ATOM 345 CA GLU A 19 0.488 6.269 3.018 1.00 71.44 C ATOM 346 C GLU A 19 0.168 7.538 2.234 1.00 64.22 C ATOM 347 O GLU A 19 -0.755 7.561 1.419 1.00 73.22 O ATOM 348 CB GLU A 19 -0.790 5.708 3.645 1.00 43.14 C ATOM 349 CG GLU A 19 -0.546 4.526 4.569 1.00 74.13 C ATOM 350 CD GLU A 19 -1.663 3.501 4.510 1.00 45.15 C ATOM 351 OE1 GLU A 19 -2.806 3.888 4.189 1.00 45.23 O ATOM 352 OE2 GLU A 19 -1.394 2.313 4.786 1.00 42.32 O ATOM 0 H GLU A 19 2.374 6.048 3.909 1.00 51.41 H new ATOM 0 HA GLU A 19 0.900 5.531 2.329 1.00 71.44 H new ATOM 0 HB2 GLU A 19 -1.288 6.500 4.205 1.00 43.14 H new ATOM 0 HB3 GLU A 19 -1.471 5.403 2.850 1.00 43.14 H new ATOM 0 HG2 GLU A 19 0.396 4.048 4.301 1.00 74.13 H new ATOM 0 HG3 GLU A 19 -0.441 4.885 5.593 1.00 74.13 H new ATOM 359 N ILE A 20 0.937 8.592 2.486 1.00 2.24 N ATOM 360 CA ILE A 20 0.737 9.865 1.805 1.00 13.15 C ATOM 361 C ILE A 20 2.066 10.560 1.535 1.00 31.10 C ATOM 362 O ILE A 20 2.989 10.494 2.348 1.00 4.23 O ATOM 363 CB ILE A 20 -0.165 10.807 2.626 1.00 74.25 C ATOM 364 CG1 ILE A 20 -1.537 10.168 2.851 1.00 74.03 C ATOM 365 CG2 ILE A 20 -0.308 12.148 1.922 1.00 23.32 C ATOM 366 CD1 ILE A 20 -2.373 10.074 1.593 1.00 23.45 C ATOM 0 H ILE A 20 1.705 8.589 3.157 1.00 2.24 H new ATOM 0 HA ILE A 20 0.248 9.642 0.857 1.00 13.15 H new ATOM 0 HB ILE A 20 0.299 10.976 3.598 1.00 74.25 H new ATOM 0 HG12 ILE A 20 -1.400 9.168 3.262 1.00 74.03 H new ATOM 0 HG13 ILE A 20 -2.081 10.748 3.597 1.00 74.03 H new ATOM 0 HG21 ILE A 20 -0.948 12.803 2.513 1.00 23.32 H new ATOM 0 HG22 ILE A 20 0.675 12.606 1.809 1.00 23.32 H new ATOM 0 HG23 ILE A 20 -0.753 11.997 0.939 1.00 23.32 H new ATOM 0 HD11 ILE A 20 -3.332 9.611 1.827 1.00 23.45 H new ATOM 0 HD12 ILE A 20 -2.541 11.074 1.192 1.00 23.45 H new ATOM 0 HD13 ILE A 20 -1.849 9.469 0.853 1.00 23.45 H new ATOM 378 N CYS A 21 2.158 11.225 0.389 1.00 2.12 N ATOM 379 CA CYS A 21 3.375 11.934 0.011 1.00 22.30 C ATOM 380 C CYS A 21 3.424 13.313 0.658 1.00 65.20 C ATOM 381 O CYS A 21 2.630 14.201 0.347 1.00 62.41 O ATOM 382 CB CYS A 21 3.461 12.067 -1.511 1.00 5.14 C ATOM 383 SG CYS A 21 4.955 12.901 -2.095 1.00 21.15 S ATOM 0 H CYS A 21 1.404 11.288 -0.295 1.00 2.12 H new ATOM 0 HA CYS A 21 4.228 11.356 0.366 1.00 22.30 H new ATOM 0 HB2 CYS A 21 3.416 11.073 -1.955 1.00 5.14 H new ATOM 0 HB3 CYS A 21 2.589 12.615 -1.867 1.00 5.14 H new ATOM 388 N PRO A 22 4.378 13.500 1.583 1.00 13.42 N ATOM 389 CA PRO A 22 4.553 14.769 2.295 1.00 4.13 C ATOM 390 C PRO A 22 5.080 15.875 1.388 1.00 71.45 C ATOM 391 O PRO A 22 5.192 17.031 1.799 1.00 34.45 O ATOM 392 CB PRO A 22 5.581 14.429 3.377 1.00 45.34 C ATOM 393 CG PRO A 22 6.341 13.272 2.829 1.00 72.45 C ATOM 394 CD PRO A 22 5.359 12.486 2.004 1.00 63.11 C ATOM 0 HA PRO A 22 3.610 15.150 2.688 1.00 4.13 H new ATOM 0 HB2 PRO A 22 6.239 15.275 3.578 1.00 45.34 H new ATOM 0 HB3 PRO A 22 5.095 14.173 4.318 1.00 45.34 H new ATOM 0 HG2 PRO A 22 7.180 13.609 2.221 1.00 72.45 H new ATOM 0 HG3 PRO A 22 6.754 12.661 3.631 1.00 72.45 H new ATOM 0 HD2 PRO A 22 5.841 12.013 1.148 1.00 63.11 H new ATOM 0 HD3 PRO A 22 4.891 11.691 2.585 1.00 63.11 H new ATOM 402 N LYS A 23 5.402 15.514 0.150 1.00 44.44 N ATOM 403 CA LYS A 23 5.916 16.477 -0.818 1.00 44.11 C ATOM 404 C LYS A 23 4.774 17.175 -1.551 1.00 21.24 C ATOM 405 O LYS A 23 4.624 18.394 -1.467 1.00 10.01 O ATOM 406 CB LYS A 23 6.831 15.778 -1.826 1.00 32.10 C ATOM 407 CG LYS A 23 8.213 16.399 -1.926 1.00 42.53 C ATOM 408 CD LYS A 23 8.968 16.296 -0.611 1.00 1.02 C ATOM 409 CE LYS A 23 10.462 16.500 -0.808 1.00 44.35 C ATOM 410 NZ LYS A 23 11.083 15.368 -1.550 1.00 2.12 N ATOM 0 H LYS A 23 5.316 14.562 -0.207 1.00 44.44 H new ATOM 0 HA LYS A 23 6.489 17.229 -0.276 1.00 44.11 H new ATOM 0 HB2 LYS A 23 6.933 14.730 -1.546 1.00 32.10 H new ATOM 0 HB3 LYS A 23 6.360 15.801 -2.809 1.00 32.10 H new ATOM 0 HG2 LYS A 23 8.780 15.901 -2.712 1.00 42.53 H new ATOM 0 HG3 LYS A 23 8.122 17.447 -2.213 1.00 42.53 H new ATOM 0 HD2 LYS A 23 8.587 17.041 0.088 1.00 1.02 H new ATOM 0 HD3 LYS A 23 8.789 15.318 -0.163 1.00 1.02 H new ATOM 0 HE2 LYS A 23 10.633 17.429 -1.353 1.00 44.35 H new ATOM 0 HE3 LYS A 23 10.945 16.606 0.163 1.00 44.35 H new ATOM 0 HZ1 LYS A 23 12.109 15.361 -1.377 1.00 2.12 H new ATOM 0 HZ2 LYS A 23 10.671 14.471 -1.223 1.00 2.12 H new ATOM 0 HZ3 LYS A 23 10.904 15.481 -2.568 1.00 2.12 H new ATOM 424 N CYS A 24 3.972 16.394 -2.267 1.00 24.31 N ATOM 425 CA CYS A 24 2.843 16.937 -3.013 1.00 71.15 C ATOM 426 C CYS A 24 1.539 16.738 -2.248 1.00 13.13 C ATOM 427 O CYS A 24 0.654 17.592 -2.276 1.00 61.15 O ATOM 428 CB CYS A 24 2.749 16.275 -4.388 1.00 54.41 C ATOM 429 SG CYS A 24 2.451 14.493 -4.330 1.00 54.01 S ATOM 0 H CYS A 24 4.083 15.383 -2.346 1.00 24.31 H new ATOM 0 HA CYS A 24 3.006 18.007 -3.143 1.00 71.15 H new ATOM 0 HB2 CYS A 24 1.946 16.749 -4.953 1.00 54.41 H new ATOM 0 HB3 CYS A 24 3.675 16.460 -4.933 1.00 54.41 H new ATOM 434 N GLY A 25 1.427 15.602 -1.566 1.00 3.54 N ATOM 435 CA GLY A 25 0.227 15.310 -0.804 1.00 42.41 C ATOM 436 C GLY A 25 -0.665 14.297 -1.493 1.00 53.42 C ATOM 437 O GLY A 25 -1.886 14.331 -1.341 1.00 54.52 O ATOM 0 H GLY A 25 2.146 14.879 -1.528 1.00 3.54 H new ATOM 0 HA2 GLY A 25 0.508 14.933 0.179 1.00 42.41 H new ATOM 0 HA3 GLY A 25 -0.332 16.232 -0.644 1.00 42.41 H new ATOM 441 N GLU A 26 -0.055 13.395 -2.256 1.00 12.14 N ATOM 442 CA GLU A 26 -0.804 12.370 -2.973 1.00 61.12 C ATOM 443 C GLU A 26 -0.590 10.998 -2.340 1.00 32.02 C ATOM 444 O GLU A 26 0.521 10.651 -1.939 1.00 64.01 O ATOM 445 CB GLU A 26 -0.384 12.336 -4.444 1.00 52.13 C ATOM 446 CG GLU A 26 -0.974 11.170 -5.219 1.00 24.15 C ATOM 447 CD GLU A 26 -2.462 11.004 -4.980 1.00 4.13 C ATOM 448 OE1 GLU A 26 -3.166 12.031 -4.879 1.00 42.02 O ATOM 449 OE2 GLU A 26 -2.924 9.847 -4.894 1.00 5.04 O ATOM 0 H GLU A 26 0.955 13.354 -2.393 1.00 12.14 H new ATOM 0 HA GLU A 26 -1.863 12.619 -2.911 1.00 61.12 H new ATOM 0 HB2 GLU A 26 -0.686 13.268 -4.921 1.00 52.13 H new ATOM 0 HB3 GLU A 26 0.703 12.286 -4.502 1.00 52.13 H new ATOM 0 HG2 GLU A 26 -0.795 11.319 -6.284 1.00 24.15 H new ATOM 0 HG3 GLU A 26 -0.460 10.252 -4.935 1.00 24.15 H new ATOM 456 N LYS A 27 -1.664 10.220 -2.253 1.00 73.54 N ATOM 457 CA LYS A 27 -1.597 8.884 -1.672 1.00 2.34 C ATOM 458 C LYS A 27 -0.465 8.075 -2.294 1.00 24.43 C ATOM 459 O LYS A 27 -0.265 8.098 -3.509 1.00 50.52 O ATOM 460 CB LYS A 27 -2.927 8.153 -1.866 1.00 4.42 C ATOM 461 CG LYS A 27 -3.184 7.071 -0.832 1.00 4.54 C ATOM 462 CD LYS A 27 -2.924 5.685 -1.398 1.00 54.42 C ATOM 463 CE LYS A 27 -4.185 5.086 -2.002 1.00 40.33 C ATOM 464 NZ LYS A 27 -4.259 5.316 -3.472 1.00 31.14 N ATOM 0 H LYS A 27 -2.592 10.492 -2.578 1.00 73.54 H new ATOM 0 HA LYS A 27 -1.400 8.990 -0.605 1.00 2.34 H new ATOM 0 HB2 LYS A 27 -3.739 8.879 -1.829 1.00 4.42 H new ATOM 0 HB3 LYS A 27 -2.944 7.705 -2.860 1.00 4.42 H new ATOM 0 HG2 LYS A 27 -2.545 7.236 0.035 1.00 4.54 H new ATOM 0 HG3 LYS A 27 -4.215 7.136 -0.485 1.00 4.54 H new ATOM 0 HD2 LYS A 27 -2.146 5.741 -2.159 1.00 54.42 H new ATOM 0 HD3 LYS A 27 -2.551 5.032 -0.609 1.00 54.42 H new ATOM 0 HE2 LYS A 27 -4.211 4.015 -1.800 1.00 40.33 H new ATOM 0 HE3 LYS A 27 -5.061 5.522 -1.522 1.00 40.33 H new ATOM 0 HZ1 LYS A 27 -5.047 4.767 -3.870 1.00 31.14 H new ATOM 0 HZ2 LYS A 27 -4.413 6.328 -3.658 1.00 31.14 H new ATOM 0 HZ3 LYS A 27 -3.368 5.014 -3.916 1.00 31.14 H new ATOM 478 N THR A 28 0.276 7.358 -1.454 1.00 22.40 N ATOM 479 CA THR A 28 1.389 6.542 -1.922 1.00 15.02 C ATOM 480 C THR A 28 0.931 5.125 -2.249 1.00 31.23 C ATOM 481 O THR A 28 -0.130 4.686 -1.804 1.00 61.31 O ATOM 482 CB THR A 28 2.517 6.476 -0.875 1.00 35.40 C ATOM 483 OG1 THR A 28 1.961 6.470 0.445 1.00 54.02 O ATOM 484 CG2 THR A 28 3.465 7.656 -1.027 1.00 23.24 C ATOM 0 H THR A 28 0.125 7.326 -0.446 1.00 22.40 H new ATOM 0 HA THR A 28 1.771 7.016 -2.826 1.00 15.02 H new ATOM 0 HB THR A 28 3.079 5.556 -1.035 1.00 35.40 H new ATOM 0 HG1 THR A 28 2.646 6.745 1.090 1.00 54.02 H new ATOM 0 HG21 THR A 28 4.253 7.588 -0.277 1.00 23.24 H new ATOM 0 HG22 THR A 28 3.909 7.640 -2.022 1.00 23.24 H new ATOM 0 HG23 THR A 28 2.913 8.586 -0.890 1.00 23.24 H new ATOM 492 N VAL A 29 1.738 4.413 -3.029 1.00 35.10 N ATOM 493 CA VAL A 29 1.417 3.043 -3.414 1.00 53.13 C ATOM 494 C VAL A 29 2.655 2.155 -3.369 1.00 51.21 C ATOM 495 O VAL A 29 3.780 2.634 -3.509 1.00 23.13 O ATOM 496 CB VAL A 29 0.809 2.986 -4.828 1.00 42.55 C ATOM 497 CG1 VAL A 29 -0.406 3.896 -4.925 1.00 3.35 C ATOM 498 CG2 VAL A 29 1.851 3.362 -5.871 1.00 54.32 C ATOM 0 H VAL A 29 2.619 4.762 -3.407 1.00 35.10 H new ATOM 0 HA VAL A 29 0.684 2.676 -2.696 1.00 53.13 H new ATOM 0 HB VAL A 29 0.484 1.964 -5.023 1.00 42.55 H new ATOM 0 HG11 VAL A 29 -0.822 3.842 -5.931 1.00 3.35 H new ATOM 0 HG12 VAL A 29 -1.158 3.576 -4.204 1.00 3.35 H new ATOM 0 HG13 VAL A 29 -0.110 4.923 -4.709 1.00 3.35 H new ATOM 0 HG21 VAL A 29 1.404 3.316 -6.864 1.00 54.32 H new ATOM 0 HG22 VAL A 29 2.208 4.374 -5.680 1.00 54.32 H new ATOM 0 HG23 VAL A 29 2.688 2.665 -5.817 1.00 54.32 H new ATOM 508 N ILE A 30 2.439 0.858 -3.174 1.00 40.53 N ATOM 509 CA ILE A 30 3.537 -0.098 -3.113 1.00 23.34 C ATOM 510 C ILE A 30 4.284 -0.164 -4.440 1.00 64.14 C ATOM 511 O ILE A 30 3.756 -0.615 -5.457 1.00 40.21 O ATOM 512 CB ILE A 30 3.036 -1.508 -2.748 1.00 3.44 C ATOM 513 CG1 ILE A 30 2.134 -1.450 -1.514 1.00 5.30 C ATOM 514 CG2 ILE A 30 4.212 -2.442 -2.507 1.00 74.20 C ATOM 515 CD1 ILE A 30 2.801 -0.826 -0.307 1.00 4.11 C ATOM 0 H ILE A 30 1.514 0.446 -3.056 1.00 40.53 H new ATOM 0 HA ILE A 30 4.216 0.251 -2.335 1.00 23.34 H new ATOM 0 HB ILE A 30 2.453 -1.897 -3.583 1.00 3.44 H new ATOM 0 HG12 ILE A 30 1.236 -0.882 -1.757 1.00 5.30 H new ATOM 0 HG13 ILE A 30 1.814 -2.460 -1.260 1.00 5.30 H new ATOM 0 HG21 ILE A 30 3.842 -3.434 -2.250 1.00 74.20 H new ATOM 0 HG22 ILE A 30 4.819 -2.504 -3.410 1.00 74.20 H new ATOM 0 HG23 ILE A 30 4.820 -2.058 -1.688 1.00 74.20 H new ATOM 0 HD11 ILE A 30 2.103 -0.818 0.531 1.00 4.11 H new ATOM 0 HD12 ILE A 30 3.684 -1.406 -0.038 1.00 4.11 H new ATOM 0 HD13 ILE A 30 3.097 0.196 -0.543 1.00 4.11 H new ATOM 527 N PRO A 31 5.544 0.295 -4.433 1.00 41.24 N ATOM 528 CA PRO A 31 6.393 0.298 -5.629 1.00 10.13 C ATOM 529 C PRO A 31 6.804 -1.109 -6.050 1.00 43.11 C ATOM 530 O PRO A 31 7.464 -1.825 -5.298 1.00 63.20 O ATOM 531 CB PRO A 31 7.618 1.105 -5.193 1.00 20.24 C ATOM 532 CG PRO A 31 7.668 0.948 -3.712 1.00 41.10 C ATOM 533 CD PRO A 31 6.238 0.848 -3.257 1.00 14.11 C ATOM 0 HA PRO A 31 5.878 0.715 -6.494 1.00 10.13 H new ATOM 0 HB2 PRO A 31 8.527 0.729 -5.662 1.00 20.24 H new ATOM 0 HB3 PRO A 31 7.523 2.153 -5.477 1.00 20.24 H new ATOM 0 HG2 PRO A 31 8.229 0.056 -3.433 1.00 41.10 H new ATOM 0 HG3 PRO A 31 8.167 1.798 -3.246 1.00 41.10 H new ATOM 0 HD2 PRO A 31 6.137 0.198 -2.388 1.00 14.11 H new ATOM 0 HD3 PRO A 31 5.837 1.821 -2.975 1.00 14.11 H new ATOM 541 N LYS A 32 6.409 -1.499 -7.257 1.00 0.10 N ATOM 542 CA LYS A 32 6.737 -2.819 -7.781 1.00 20.21 C ATOM 543 C LYS A 32 7.328 -2.717 -9.183 1.00 31.53 C ATOM 544 O LYS A 32 6.671 -3.009 -10.183 1.00 45.42 O ATOM 545 CB LYS A 32 5.490 -3.706 -7.805 1.00 72.35 C ATOM 546 CG LYS A 32 4.651 -3.610 -6.543 1.00 21.21 C ATOM 547 CD LYS A 32 3.502 -4.603 -6.560 1.00 33.34 C ATOM 548 CE LYS A 32 2.472 -4.246 -7.621 1.00 74.21 C ATOM 549 NZ LYS A 32 1.764 -2.977 -7.302 1.00 0.41 N ATOM 0 H LYS A 32 5.860 -0.919 -7.891 1.00 0.10 H new ATOM 0 HA LYS A 32 7.482 -3.268 -7.124 1.00 20.21 H new ATOM 0 HB2 LYS A 32 4.875 -3.431 -8.662 1.00 72.35 H new ATOM 0 HB3 LYS A 32 5.794 -4.742 -7.951 1.00 72.35 H new ATOM 0 HG2 LYS A 32 5.280 -3.795 -5.672 1.00 21.21 H new ATOM 0 HG3 LYS A 32 4.257 -2.599 -6.443 1.00 21.21 H new ATOM 0 HD2 LYS A 32 3.888 -5.605 -6.749 1.00 33.34 H new ATOM 0 HD3 LYS A 32 3.024 -4.625 -5.581 1.00 33.34 H new ATOM 0 HE2 LYS A 32 2.965 -4.153 -8.589 1.00 74.21 H new ATOM 0 HE3 LYS A 32 1.746 -5.054 -7.709 1.00 74.21 H new ATOM 0 HZ1 LYS A 32 0.922 -2.888 -7.905 1.00 0.41 H new ATOM 0 HZ2 LYS A 32 1.475 -2.982 -6.303 1.00 0.41 H new ATOM 0 HZ3 LYS A 32 2.400 -2.172 -7.474 1.00 0.41 H new ATOM 563 N PRO A 33 8.600 -2.295 -9.261 1.00 11.44 N ATOM 564 CA PRO A 33 9.307 -2.148 -10.536 1.00 44.34 C ATOM 565 C PRO A 33 9.610 -3.491 -11.190 1.00 52.03 C ATOM 566 O PRO A 33 9.484 -4.550 -10.576 1.00 11.01 O ATOM 567 CB PRO A 33 10.606 -1.440 -10.141 1.00 63.43 C ATOM 568 CG PRO A 33 10.816 -1.805 -8.712 1.00 12.14 C ATOM 569 CD PRO A 33 9.443 -1.931 -8.111 1.00 1.33 C ATOM 0 HA PRO A 33 8.714 -1.603 -11.270 1.00 44.34 H new ATOM 0 HB2 PRO A 33 11.440 -1.769 -10.760 1.00 63.43 H new ATOM 0 HB3 PRO A 33 10.522 -0.360 -10.266 1.00 63.43 H new ATOM 0 HG2 PRO A 33 11.367 -2.741 -8.625 1.00 12.14 H new ATOM 0 HG3 PRO A 33 11.399 -1.042 -8.196 1.00 12.14 H new ATOM 0 HD2 PRO A 33 9.413 -2.694 -7.333 1.00 1.33 H new ATOM 0 HD3 PRO A 33 9.117 -0.997 -7.654 1.00 1.33 H new ATOM 577 N PRO A 34 10.021 -3.450 -12.467 1.00 1.24 N ATOM 578 CA PRO A 34 10.352 -4.656 -13.231 1.00 53.44 C ATOM 579 C PRO A 34 11.632 -5.322 -12.739 1.00 55.13 C ATOM 580 O PRO A 34 12.259 -4.857 -11.788 1.00 62.41 O ATOM 581 CB PRO A 34 10.536 -4.132 -14.658 1.00 63.11 C ATOM 582 CG PRO A 34 10.917 -2.702 -14.490 1.00 45.12 C ATOM 583 CD PRO A 34 10.195 -2.222 -13.262 1.00 2.52 C ATOM 0 HA PRO A 34 9.581 -5.421 -13.139 1.00 53.44 H new ATOM 0 HB2 PRO A 34 11.310 -4.688 -15.187 1.00 63.11 H new ATOM 0 HB3 PRO A 34 9.618 -4.232 -15.238 1.00 63.11 H new ATOM 0 HG2 PRO A 34 11.996 -2.597 -14.374 1.00 45.12 H new ATOM 0 HG3 PRO A 34 10.631 -2.117 -15.364 1.00 45.12 H new ATOM 0 HD2 PRO A 34 10.774 -1.473 -12.722 1.00 2.52 H new ATOM 0 HD3 PRO A 34 9.237 -1.766 -13.512 1.00 2.52 H new ATOM 591 N LYS A 35 12.014 -6.414 -13.392 1.00 53.42 N ATOM 592 CA LYS A 35 13.221 -7.144 -13.023 1.00 2.23 C ATOM 593 C LYS A 35 14.465 -6.448 -13.565 1.00 74.52 C ATOM 594 O LYS A 35 14.556 -6.157 -14.757 1.00 54.10 O ATOM 595 CB LYS A 35 13.154 -8.579 -13.550 1.00 71.24 C ATOM 596 CG LYS A 35 14.342 -9.433 -13.142 1.00 44.33 C ATOM 597 CD LYS A 35 14.072 -10.182 -11.847 1.00 51.33 C ATOM 598 CE LYS A 35 14.606 -9.424 -10.642 1.00 50.42 C ATOM 599 NZ LYS A 35 16.023 -9.775 -10.349 1.00 50.23 N ATOM 0 H LYS A 35 11.505 -6.813 -14.180 1.00 53.42 H new ATOM 0 HA LYS A 35 13.285 -7.166 -11.935 1.00 2.23 H new ATOM 0 HB2 LYS A 35 12.239 -9.048 -13.188 1.00 71.24 H new ATOM 0 HB3 LYS A 35 13.091 -8.555 -14.638 1.00 71.24 H new ATOM 0 HG2 LYS A 35 14.568 -10.146 -13.935 1.00 44.33 H new ATOM 0 HG3 LYS A 35 15.221 -8.801 -13.021 1.00 44.33 H new ATOM 0 HD2 LYS A 35 12.999 -10.339 -11.733 1.00 51.33 H new ATOM 0 HD3 LYS A 35 14.535 -11.168 -11.892 1.00 51.33 H new ATOM 0 HE2 LYS A 35 14.528 -8.352 -10.823 1.00 50.42 H new ATOM 0 HE3 LYS A 35 13.989 -9.646 -9.771 1.00 50.42 H new ATOM 0 HZ1 LYS A 35 16.350 -9.237 -9.521 1.00 50.23 H new ATOM 0 HZ2 LYS A 35 16.095 -10.793 -10.151 1.00 50.23 H new ATOM 0 HZ3 LYS A 35 16.616 -9.540 -11.170 1.00 50.23 H new ATOM 613 N PHE A 36 15.422 -6.186 -12.682 1.00 24.32 N ATOM 614 CA PHE A 36 16.662 -5.525 -13.072 1.00 61.15 C ATOM 615 C PHE A 36 17.386 -6.321 -14.154 1.00 21.34 C ATOM 616 O PHE A 36 18.042 -7.323 -13.868 1.00 61.40 O ATOM 617 CB PHE A 36 17.575 -5.347 -11.857 1.00 34.44 C ATOM 618 CG PHE A 36 17.236 -4.146 -11.023 1.00 45.34 C ATOM 619 CD1 PHE A 36 15.992 -4.029 -10.425 1.00 55.33 C ATOM 620 CD2 PHE A 36 18.162 -3.132 -10.837 1.00 64.05 C ATOM 621 CE1 PHE A 36 15.676 -2.924 -9.657 1.00 43.02 C ATOM 622 CE2 PHE A 36 17.852 -2.024 -10.069 1.00 61.32 C ATOM 623 CZ PHE A 36 16.608 -1.920 -9.479 1.00 53.15 C ATOM 0 H PHE A 36 15.363 -6.421 -11.691 1.00 24.32 H new ATOM 0 HA PHE A 36 16.410 -4.544 -13.475 1.00 61.15 H new ATOM 0 HB2 PHE A 36 17.516 -6.240 -11.235 1.00 34.44 H new ATOM 0 HB3 PHE A 36 18.607 -5.263 -12.197 1.00 34.44 H new ATOM 0 HD1 PHE A 36 15.260 -4.811 -10.561 1.00 55.33 H new ATOM 0 HD2 PHE A 36 19.136 -3.208 -11.297 1.00 64.05 H new ATOM 0 HE1 PHE A 36 14.702 -2.846 -9.197 1.00 43.02 H new ATOM 0 HE2 PHE A 36 18.583 -1.241 -9.931 1.00 61.32 H new ATOM 0 HZ PHE A 36 16.364 -1.055 -8.880 1.00 53.15 H new ATOM 633 N SER A 37 17.260 -5.869 -15.398 1.00 23.32 N ATOM 634 CA SER A 37 17.898 -6.541 -16.523 1.00 54.43 C ATOM 635 C SER A 37 18.728 -5.558 -17.343 1.00 71.41 C ATOM 636 O SER A 37 18.186 -4.689 -18.028 1.00 61.44 O ATOM 637 CB SER A 37 16.844 -7.202 -17.414 1.00 61.14 C ATOM 638 OG SER A 37 15.750 -7.673 -16.645 1.00 75.42 O ATOM 0 H SER A 37 16.722 -5.040 -15.652 1.00 23.32 H new ATOM 0 HA SER A 37 18.562 -7.309 -16.126 1.00 54.43 H new ATOM 0 HB2 SER A 37 16.490 -6.487 -18.156 1.00 61.14 H new ATOM 0 HB3 SER A 37 17.293 -8.032 -17.960 1.00 61.14 H new ATOM 0 HG SER A 37 15.276 -6.912 -16.249 1.00 75.42 H new ATOM 644 N LEU A 38 20.047 -5.701 -17.269 1.00 10.22 N ATOM 645 CA LEU A 38 20.954 -4.827 -18.003 1.00 51.24 C ATOM 646 C LEU A 38 20.815 -5.037 -19.507 1.00 73.22 C ATOM 647 O LEU A 38 21.043 -4.120 -20.295 1.00 55.32 O ATOM 648 CB LEU A 38 22.400 -5.082 -17.573 1.00 13.32 C ATOM 649 CG LEU A 38 22.888 -4.291 -16.359 1.00 21.13 C ATOM 650 CD1 LEU A 38 22.824 -2.798 -16.633 1.00 43.35 C ATOM 651 CD2 LEU A 38 22.068 -4.645 -15.127 1.00 4.04 C ATOM 0 H LEU A 38 20.512 -6.415 -16.708 1.00 10.22 H new ATOM 0 HA LEU A 38 20.689 -3.795 -17.773 1.00 51.24 H new ATOM 0 HB2 LEU A 38 22.512 -6.145 -17.358 1.00 13.32 H new ATOM 0 HB3 LEU A 38 23.054 -4.856 -18.415 1.00 13.32 H new ATOM 0 HG LEU A 38 23.927 -4.560 -16.169 1.00 21.13 H new ATOM 0 HD11 LEU A 38 23.175 -2.252 -15.757 1.00 43.35 H new ATOM 0 HD12 LEU A 38 23.456 -2.558 -17.488 1.00 43.35 H new ATOM 0 HD13 LEU A 38 21.795 -2.512 -16.850 1.00 43.35 H new ATOM 0 HD21 LEU A 38 22.429 -4.073 -14.273 1.00 4.04 H new ATOM 0 HD22 LEU A 38 21.020 -4.406 -15.307 1.00 4.04 H new ATOM 0 HD23 LEU A 38 22.167 -5.710 -14.918 1.00 4.04 H new ATOM 663 N GLU A 39 20.436 -6.250 -19.897 1.00 61.52 N ATOM 664 CA GLU A 39 20.265 -6.580 -21.308 1.00 5.45 C ATOM 665 C GLU A 39 18.789 -6.758 -21.649 1.00 54.40 C ATOM 666 O GLU A 39 18.354 -6.440 -22.757 1.00 22.34 O ATOM 667 CB GLU A 39 21.037 -7.855 -21.654 1.00 64.21 C ATOM 668 CG GLU A 39 22.506 -7.613 -21.955 1.00 64.43 C ATOM 669 CD GLU A 39 23.310 -8.898 -22.011 1.00 43.23 C ATOM 670 OE1 GLU A 39 23.024 -9.811 -21.209 1.00 54.43 O ATOM 671 OE2 GLU A 39 24.224 -8.990 -22.857 1.00 73.42 O ATOM 0 H GLU A 39 20.242 -7.020 -19.257 1.00 61.52 H new ATOM 0 HA GLU A 39 20.660 -5.754 -21.899 1.00 5.45 H new ATOM 0 HB2 GLU A 39 20.956 -8.556 -20.823 1.00 64.21 H new ATOM 0 HB3 GLU A 39 20.571 -8.329 -22.518 1.00 64.21 H new ATOM 0 HG2 GLU A 39 22.597 -7.090 -22.907 1.00 64.43 H new ATOM 0 HG3 GLU A 39 22.926 -6.959 -21.191 1.00 64.43 H new ATOM 678 N ASP A 40 18.023 -7.268 -20.690 1.00 74.33 N ATOM 679 CA ASP A 40 16.595 -7.490 -20.889 1.00 65.11 C ATOM 680 C ASP A 40 16.343 -8.320 -22.143 1.00 4.42 C ATOM 681 O ASP A 40 15.411 -8.049 -22.901 1.00 24.44 O ATOM 682 CB ASP A 40 15.861 -6.152 -20.990 1.00 11.31 C ATOM 683 CG ASP A 40 14.421 -6.246 -20.523 1.00 41.01 C ATOM 684 OD1 ASP A 40 14.172 -6.922 -19.503 1.00 42.43 O ATOM 685 OD2 ASP A 40 13.544 -5.644 -21.178 1.00 40.50 O ATOM 0 H ASP A 40 18.367 -7.535 -19.768 1.00 74.33 H new ATOM 0 HA ASP A 40 16.214 -8.042 -20.030 1.00 65.11 H new ATOM 0 HB2 ASP A 40 16.386 -5.407 -20.393 1.00 11.31 H new ATOM 0 HB3 ASP A 40 15.883 -5.806 -22.023 1.00 11.31 H new ATOM 690 N ARG A 41 17.179 -9.331 -22.356 1.00 2.15 N ATOM 691 CA ARG A 41 17.047 -10.199 -23.519 1.00 51.05 C ATOM 692 C ARG A 41 15.691 -10.898 -23.525 1.00 53.12 C ATOM 693 O ARG A 41 15.035 -10.992 -24.562 1.00 50.44 O ATOM 694 CB ARG A 41 18.170 -11.238 -23.536 1.00 14.24 C ATOM 695 CG ARG A 41 18.252 -12.065 -22.263 1.00 62.32 C ATOM 696 CD ARG A 41 19.598 -12.763 -22.139 1.00 44.13 C ATOM 697 NE ARG A 41 19.735 -13.465 -20.866 1.00 73.41 N ATOM 698 CZ ARG A 41 20.823 -14.141 -20.513 1.00 22.03 C ATOM 699 NH1 ARG A 41 21.863 -14.205 -21.333 1.00 32.02 N ATOM 700 NH2 ARG A 41 20.872 -14.754 -19.337 1.00 32.41 N ATOM 0 H ARG A 41 17.955 -9.569 -21.738 1.00 2.15 H new ATOM 0 HA ARG A 41 17.120 -9.580 -24.413 1.00 51.05 H new ATOM 0 HB2 ARG A 41 18.023 -11.906 -24.385 1.00 14.24 H new ATOM 0 HB3 ARG A 41 19.122 -10.730 -23.691 1.00 14.24 H new ATOM 0 HG2 ARG A 41 18.094 -11.421 -21.398 1.00 62.32 H new ATOM 0 HG3 ARG A 41 17.454 -12.807 -22.258 1.00 62.32 H new ATOM 0 HD2 ARG A 41 19.716 -13.472 -22.958 1.00 44.13 H new ATOM 0 HD3 ARG A 41 20.398 -12.029 -22.236 1.00 44.13 H new ATOM 0 HE ARG A 41 18.953 -13.435 -20.212 1.00 73.41 H new ATOM 0 HH11 ARG A 41 21.829 -13.735 -22.237 1.00 32.02 H new ATOM 0 HH12 ARG A 41 22.697 -14.725 -21.059 1.00 32.02 H new ATOM 0 HH21 ARG A 41 20.074 -14.706 -18.703 1.00 32.41 H new ATOM 0 HH22 ARG A 41 21.708 -15.273 -19.067 1.00 32.41 H new ATOM 714 N TRP A 42 15.279 -11.387 -22.362 1.00 33.33 N ATOM 715 CA TRP A 42 14.002 -12.079 -22.233 1.00 11.43 C ATOM 716 C TRP A 42 12.964 -11.186 -21.561 1.00 65.40 C ATOM 717 O TRP A 42 11.965 -11.670 -21.031 1.00 71.30 O ATOM 718 CB TRP A 42 14.176 -13.371 -21.433 1.00 33.21 C ATOM 719 CG TRP A 42 14.951 -14.424 -22.165 1.00 74.32 C ATOM 720 CD1 TRP A 42 16.041 -15.106 -21.707 1.00 33.20 C ATOM 721 CD2 TRP A 42 14.696 -14.912 -23.487 1.00 53.31 C ATOM 722 NE1 TRP A 42 16.479 -15.990 -22.665 1.00 4.32 N ATOM 723 CE2 TRP A 42 15.670 -15.890 -23.765 1.00 33.24 C ATOM 724 CE3 TRP A 42 13.737 -14.619 -24.462 1.00 31.44 C ATOM 725 CZ2 TRP A 42 15.713 -16.575 -24.977 1.00 53.32 C ATOM 726 CZ3 TRP A 42 13.781 -15.299 -25.663 1.00 71.24 C ATOM 727 CH2 TRP A 42 14.762 -16.268 -25.913 1.00 72.23 C ATOM 0 H TRP A 42 15.810 -11.317 -21.494 1.00 33.33 H new ATOM 0 HA TRP A 42 13.648 -12.325 -23.234 1.00 11.43 H new ATOM 0 HB2 TRP A 42 14.683 -13.143 -20.495 1.00 33.21 H new ATOM 0 HB3 TRP A 42 13.193 -13.766 -21.177 1.00 33.21 H new ATOM 0 HD1 TRP A 42 16.493 -14.971 -20.735 1.00 33.20 H new ATOM 0 HE1 TRP A 42 17.277 -16.618 -22.571 1.00 4.32 H new ATOM 0 HE3 TRP A 42 12.976 -13.875 -24.279 1.00 31.44 H new ATOM 0 HZ2 TRP A 42 16.469 -17.321 -25.171 1.00 53.32 H new ATOM 0 HZ3 TRP A 42 13.046 -15.080 -26.423 1.00 71.24 H new ATOM 0 HH2 TRP A 42 14.768 -16.783 -26.862 1.00 72.23 H new ATOM 738 N GLY A 43 13.208 -9.880 -21.586 1.00 65.12 N ATOM 739 CA GLY A 43 12.287 -8.940 -20.976 1.00 34.13 C ATOM 740 C GLY A 43 10.861 -9.134 -21.453 1.00 52.24 C ATOM 741 O GLY A 43 9.910 -8.868 -20.718 1.00 73.52 O ATOM 0 H GLY A 43 14.028 -9.456 -22.019 1.00 65.12 H new ATOM 0 HA2 GLY A 43 12.323 -9.052 -19.892 1.00 34.13 H new ATOM 0 HA3 GLY A 43 12.608 -7.923 -21.202 1.00 34.13 H new ATOM 745 N LYS A 44 10.711 -9.596 -22.690 1.00 72.33 N ATOM 746 CA LYS A 44 9.392 -9.825 -23.267 1.00 60.20 C ATOM 747 C LYS A 44 8.893 -11.230 -22.945 1.00 44.12 C ATOM 748 O LYS A 44 7.688 -11.462 -22.839 1.00 25.43 O ATOM 749 CB LYS A 44 9.434 -9.623 -24.784 1.00 32.12 C ATOM 750 CG LYS A 44 9.862 -8.226 -25.200 1.00 34.33 C ATOM 751 CD LYS A 44 10.512 -8.228 -26.574 1.00 33.05 C ATOM 752 CE LYS A 44 12.011 -8.460 -26.481 1.00 21.31 C ATOM 753 NZ LYS A 44 12.570 -8.996 -27.754 1.00 3.31 N ATOM 0 H LYS A 44 11.488 -9.819 -23.312 1.00 72.33 H new ATOM 0 HA LYS A 44 8.702 -9.104 -22.829 1.00 60.20 H new ATOM 0 HB2 LYS A 44 10.120 -10.349 -25.220 1.00 32.12 H new ATOM 0 HB3 LYS A 44 8.447 -9.830 -25.197 1.00 32.12 H new ATOM 0 HG2 LYS A 44 8.995 -7.566 -25.208 1.00 34.33 H new ATOM 0 HG3 LYS A 44 10.561 -7.825 -24.466 1.00 34.33 H new ATOM 0 HD2 LYS A 44 10.060 -9.005 -27.190 1.00 33.05 H new ATOM 0 HD3 LYS A 44 10.320 -7.276 -27.070 1.00 33.05 H new ATOM 0 HE2 LYS A 44 12.509 -7.523 -26.232 1.00 21.31 H new ATOM 0 HE3 LYS A 44 12.221 -9.158 -25.670 1.00 21.31 H new ATOM 0 HZ1 LYS A 44 13.595 -9.141 -27.650 1.00 3.31 H new ATOM 0 HZ2 LYS A 44 12.114 -9.903 -27.979 1.00 3.31 H new ATOM 0 HZ3 LYS A 44 12.393 -8.319 -28.523 1.00 3.31 H new ATOM 767 N TYR A 45 9.826 -12.163 -22.789 1.00 2.44 N ATOM 768 CA TYR A 45 9.480 -13.545 -22.479 1.00 62.01 C ATOM 769 C TYR A 45 8.558 -13.617 -21.266 1.00 32.25 C ATOM 770 O TYR A 45 7.718 -14.512 -21.162 1.00 62.24 O ATOM 771 CB TYR A 45 10.747 -14.363 -22.221 1.00 13.54 C ATOM 772 CG TYR A 45 10.566 -15.847 -22.453 1.00 23.11 C ATOM 773 CD1 TYR A 45 10.033 -16.666 -21.465 1.00 12.51 C ATOM 774 CD2 TYR A 45 10.929 -16.429 -23.662 1.00 30.13 C ATOM 775 CE1 TYR A 45 9.868 -18.021 -21.674 1.00 13.13 C ATOM 776 CE2 TYR A 45 10.766 -17.784 -23.879 1.00 51.13 C ATOM 777 CZ TYR A 45 10.235 -18.575 -22.882 1.00 34.31 C ATOM 778 OH TYR A 45 10.071 -19.925 -23.094 1.00 0.43 O ATOM 0 H TYR A 45 10.827 -11.987 -22.872 1.00 2.44 H new ATOM 0 HA TYR A 45 8.954 -13.963 -23.337 1.00 62.01 H new ATOM 0 HB2 TYR A 45 11.544 -13.997 -22.868 1.00 13.54 H new ATOM 0 HB3 TYR A 45 11.071 -14.201 -21.193 1.00 13.54 H new ATOM 0 HD1 TYR A 45 9.743 -16.236 -20.518 1.00 12.51 H new ATOM 0 HD2 TYR A 45 11.345 -15.812 -24.445 1.00 30.13 H new ATOM 0 HE1 TYR A 45 9.454 -18.644 -20.895 1.00 13.13 H new ATOM 0 HE2 TYR A 45 11.053 -18.221 -24.824 1.00 51.13 H new ATOM 0 HH TYR A 45 10.378 -20.154 -23.996 1.00 0.43 H new ATOM 788 N ARG A 46 8.720 -12.667 -20.350 1.00 34.41 N ATOM 789 CA ARG A 46 7.903 -12.622 -19.144 1.00 25.45 C ATOM 790 C ARG A 46 6.420 -12.536 -19.493 1.00 62.23 C ATOM 791 O ARG A 46 5.653 -13.457 -19.217 1.00 14.43 O ATOM 792 CB ARG A 46 8.303 -11.427 -18.275 1.00 32.41 C ATOM 793 CG ARG A 46 9.390 -11.748 -17.262 1.00 32.12 C ATOM 794 CD ARG A 46 10.777 -11.630 -17.875 1.00 41.44 C ATOM 795 NE ARG A 46 11.788 -12.318 -17.078 1.00 44.24 N ATOM 796 CZ ARG A 46 13.091 -12.259 -17.334 1.00 74.12 C ATOM 797 NH1 ARG A 46 13.536 -11.548 -18.360 1.00 44.41 N ATOM 798 NH2 ARG A 46 13.949 -12.913 -16.563 1.00 22.52 N ATOM 0 H ARG A 46 9.410 -11.919 -20.421 1.00 34.41 H new ATOM 0 HA ARG A 46 8.074 -13.543 -18.586 1.00 25.45 H new ATOM 0 HB2 ARG A 46 8.646 -10.618 -18.920 1.00 32.41 H new ATOM 0 HB3 ARG A 46 7.422 -11.061 -17.747 1.00 32.41 H new ATOM 0 HG2 ARG A 46 9.308 -11.070 -16.412 1.00 32.12 H new ATOM 0 HG3 ARG A 46 9.245 -12.758 -16.879 1.00 32.12 H new ATOM 0 HD2 ARG A 46 10.765 -12.046 -18.882 1.00 41.44 H new ATOM 0 HD3 ARG A 46 11.044 -10.577 -17.968 1.00 41.44 H new ATOM 0 HE ARG A 46 11.478 -12.874 -16.281 1.00 44.24 H new ATOM 0 HH11 ARG A 46 12.878 -11.045 -18.955 1.00 44.41 H new ATOM 0 HH12 ARG A 46 14.536 -11.504 -18.554 1.00 44.41 H new ATOM 0 HH21 ARG A 46 13.609 -13.462 -15.773 1.00 22.52 H new ATOM 0 HH22 ARG A 46 14.949 -12.867 -16.760 1.00 22.52 H new ATOM 812 N ARG A 47 6.025 -11.423 -20.102 1.00 44.14 N ATOM 813 CA ARG A 47 4.635 -11.215 -20.488 1.00 72.14 C ATOM 814 C ARG A 47 4.137 -12.362 -21.363 1.00 10.24 C ATOM 815 O ARG A 47 2.996 -12.805 -21.232 1.00 54.44 O ATOM 816 CB ARG A 47 4.482 -9.888 -21.233 1.00 41.33 C ATOM 817 CG ARG A 47 3.201 -9.144 -20.896 1.00 54.12 C ATOM 818 CD ARG A 47 3.150 -7.785 -21.575 1.00 41.24 C ATOM 819 NE ARG A 47 1.894 -7.087 -21.312 1.00 72.21 N ATOM 820 CZ ARG A 47 1.557 -5.939 -21.889 1.00 53.34 C ATOM 821 NH1 ARG A 47 2.377 -5.362 -22.757 1.00 20.23 N ATOM 822 NH2 ARG A 47 0.396 -5.365 -21.598 1.00 35.33 N ATOM 0 H ARG A 47 6.648 -10.651 -20.339 1.00 44.14 H new ATOM 0 HA ARG A 47 4.033 -11.185 -19.580 1.00 72.14 H new ATOM 0 HB2 ARG A 47 5.335 -9.250 -21.000 1.00 41.33 H new ATOM 0 HB3 ARG A 47 4.510 -10.078 -22.306 1.00 41.33 H new ATOM 0 HG2 ARG A 47 2.342 -9.739 -21.205 1.00 54.12 H new ATOM 0 HG3 ARG A 47 3.127 -9.015 -19.816 1.00 54.12 H new ATOM 0 HD2 ARG A 47 3.983 -7.175 -21.227 1.00 41.24 H new ATOM 0 HD3 ARG A 47 3.275 -7.912 -22.650 1.00 41.24 H new ATOM 0 HE ARG A 47 1.240 -7.504 -20.649 1.00 72.21 H new ATOM 0 HH11 ARG A 47 3.270 -5.800 -22.984 1.00 20.23 H new ATOM 0 HH12 ARG A 47 2.115 -4.480 -23.198 1.00 20.23 H new ATOM 0 HH21 ARG A 47 -0.238 -5.805 -20.931 1.00 35.33 H new ATOM 0 HH22 ARG A 47 0.138 -4.483 -22.041 1.00 35.33 H new ATOM 836 N MET A 48 5.000 -12.837 -22.255 1.00 11.32 N ATOM 837 CA MET A 48 4.647 -13.931 -23.152 1.00 20.55 C ATOM 838 C MET A 48 4.344 -15.202 -22.363 1.00 34.21 C ATOM 839 O MET A 48 3.609 -16.074 -22.830 1.00 51.13 O ATOM 840 CB MET A 48 5.782 -14.192 -24.144 1.00 52.43 C ATOM 841 CG MET A 48 6.048 -13.025 -25.081 1.00 73.45 C ATOM 842 SD MET A 48 4.668 -12.699 -26.194 1.00 1.44 S ATOM 843 CE MET A 48 4.720 -10.910 -26.283 1.00 24.34 C ATOM 0 H MET A 48 5.948 -12.482 -22.376 1.00 11.32 H new ATOM 0 HA MET A 48 3.752 -13.643 -23.703 1.00 20.55 H new ATOM 0 HB2 MET A 48 6.693 -14.418 -23.590 1.00 52.43 H new ATOM 0 HB3 MET A 48 5.541 -15.075 -24.736 1.00 52.43 H new ATOM 0 HG2 MET A 48 6.254 -12.131 -24.492 1.00 73.45 H new ATOM 0 HG3 MET A 48 6.942 -13.232 -25.669 1.00 73.45 H new ATOM 0 HE1 MET A 48 3.924 -10.555 -26.937 1.00 24.34 H new ATOM 0 HE2 MET A 48 4.584 -10.492 -25.286 1.00 24.34 H new ATOM 0 HE3 MET A 48 5.684 -10.593 -26.680 1.00 24.34 H new ATOM 853 N LEU A 49 4.914 -15.301 -21.168 1.00 33.43 N ATOM 854 CA LEU A 49 4.704 -16.467 -20.315 1.00 24.21 C ATOM 855 C LEU A 49 3.382 -16.360 -19.563 1.00 3.11 C ATOM 856 O LEU A 49 2.835 -17.361 -19.101 1.00 34.23 O ATOM 857 CB LEU A 49 5.859 -16.612 -19.322 1.00 45.14 C ATOM 858 CG LEU A 49 6.161 -18.032 -18.845 1.00 3.43 C ATOM 859 CD1 LEU A 49 7.649 -18.205 -18.588 1.00 4.44 C ATOM 860 CD2 LEU A 49 5.359 -18.355 -17.591 1.00 70.05 C ATOM 0 H LEU A 49 5.525 -14.589 -20.767 1.00 33.43 H new ATOM 0 HA LEU A 49 4.668 -17.351 -20.952 1.00 24.21 H new ATOM 0 HB2 LEU A 49 6.760 -16.206 -19.782 1.00 45.14 H new ATOM 0 HB3 LEU A 49 5.641 -15.996 -18.450 1.00 45.14 H new ATOM 0 HG LEU A 49 5.867 -18.728 -19.630 1.00 3.43 H new ATOM 0 HD11 LEU A 49 7.844 -19.223 -18.249 1.00 4.44 H new ATOM 0 HD12 LEU A 49 8.201 -18.017 -19.509 1.00 4.44 H new ATOM 0 HD13 LEU A 49 7.970 -17.500 -17.822 1.00 4.44 H new ATOM 0 HD21 LEU A 49 5.586 -19.370 -17.265 1.00 70.05 H new ATOM 0 HD22 LEU A 49 5.622 -17.653 -16.800 1.00 70.05 H new ATOM 0 HD23 LEU A 49 4.294 -18.274 -17.809 1.00 70.05 H new ATOM 872 N LYS A 50 2.871 -15.139 -19.443 1.00 62.24 N ATOM 873 CA LYS A 50 1.611 -14.900 -18.751 1.00 24.13 C ATOM 874 C LYS A 50 0.717 -13.962 -19.555 1.00 70.14 C ATOM 875 O LYS A 50 0.951 -12.754 -19.601 1.00 12.30 O ATOM 876 CB LYS A 50 1.873 -14.308 -17.364 1.00 51.20 C ATOM 877 CG LYS A 50 2.925 -13.212 -17.359 1.00 1.25 C ATOM 878 CD LYS A 50 2.389 -11.927 -16.751 1.00 13.22 C ATOM 879 CE LYS A 50 3.388 -11.306 -15.787 1.00 62.42 C ATOM 880 NZ LYS A 50 4.253 -10.298 -16.459 1.00 45.13 N ATOM 0 H LYS A 50 3.312 -14.299 -19.817 1.00 62.24 H new ATOM 0 HA LYS A 50 1.098 -15.856 -18.642 1.00 24.13 H new ATOM 0 HB2 LYS A 50 0.940 -13.907 -16.967 1.00 51.20 H new ATOM 0 HB3 LYS A 50 2.188 -15.106 -16.691 1.00 51.20 H new ATOM 0 HG2 LYS A 50 3.797 -13.546 -16.796 1.00 1.25 H new ATOM 0 HG3 LYS A 50 3.258 -13.022 -18.379 1.00 1.25 H new ATOM 0 HD2 LYS A 50 2.158 -11.217 -17.545 1.00 13.22 H new ATOM 0 HD3 LYS A 50 1.456 -12.133 -16.227 1.00 13.22 H new ATOM 0 HE2 LYS A 50 2.853 -10.834 -14.963 1.00 62.42 H new ATOM 0 HE3 LYS A 50 4.011 -12.089 -15.355 1.00 62.42 H new ATOM 0 HZ1 LYS A 50 4.920 -9.898 -15.769 1.00 45.13 H new ATOM 0 HZ2 LYS A 50 4.783 -10.754 -17.229 1.00 45.13 H new ATOM 0 HZ3 LYS A 50 3.661 -9.537 -16.849 1.00 45.13 H new ATOM 894 N ARG A 51 -0.307 -14.526 -20.187 1.00 44.12 N ATOM 895 CA ARG A 51 -1.236 -13.739 -20.989 1.00 34.13 C ATOM 896 C ARG A 51 -2.624 -13.723 -20.355 1.00 4.41 C ATOM 897 O ARG A 51 -3.396 -12.785 -20.551 1.00 25.43 O ATOM 898 CB ARG A 51 -1.320 -14.302 -22.409 1.00 34.44 C ATOM 899 CG ARG A 51 -1.388 -15.820 -22.459 1.00 53.22 C ATOM 900 CD ARG A 51 -2.182 -16.302 -23.664 1.00 4.12 C ATOM 901 NE ARG A 51 -2.114 -17.753 -23.819 1.00 63.01 N ATOM 902 CZ ARG A 51 -1.022 -18.399 -24.213 1.00 25.40 C ATOM 903 NH1 ARG A 51 0.088 -17.727 -24.488 1.00 54.52 N ATOM 904 NH2 ARG A 51 -1.037 -19.721 -24.330 1.00 4.43 N ATOM 0 H ARG A 51 -0.514 -15.524 -20.159 1.00 44.12 H new ATOM 0 HA ARG A 51 -0.863 -12.716 -21.032 1.00 34.13 H new ATOM 0 HB2 ARG A 51 -2.201 -13.891 -22.902 1.00 34.44 H new ATOM 0 HB3 ARG A 51 -0.451 -13.967 -22.976 1.00 34.44 H new ATOM 0 HG2 ARG A 51 -0.379 -16.230 -22.499 1.00 53.22 H new ATOM 0 HG3 ARG A 51 -1.848 -16.195 -21.545 1.00 53.22 H new ATOM 0 HD2 ARG A 51 -3.223 -15.997 -23.558 1.00 4.12 H new ATOM 0 HD3 ARG A 51 -1.800 -15.823 -24.565 1.00 4.12 H new ATOM 0 HE ARG A 51 -2.950 -18.300 -23.614 1.00 63.01 H new ATOM 0 HH11 ARG A 51 0.105 -16.711 -24.397 1.00 54.52 H new ATOM 0 HH12 ARG A 51 0.925 -18.226 -24.790 1.00 54.52 H new ATOM 0 HH21 ARG A 51 -1.888 -20.242 -24.117 1.00 4.43 H new ATOM 0 HH22 ARG A 51 -0.198 -20.216 -24.633 1.00 4.43 H new ATOM 918 N ALA A 52 -2.934 -14.768 -19.594 1.00 23.24 N ATOM 919 CA ALA A 52 -4.226 -14.873 -18.930 1.00 4.43 C ATOM 920 C ALA A 52 -4.167 -14.299 -17.517 1.00 54.04 C ATOM 921 O ALA A 52 -4.909 -13.376 -17.180 1.00 73.41 O ATOM 922 CB ALA A 52 -4.685 -16.323 -18.893 1.00 25.43 C ATOM 0 H ALA A 52 -2.307 -15.554 -19.423 1.00 23.24 H new ATOM 0 HA ALA A 52 -4.948 -14.289 -19.501 1.00 4.43 H new ATOM 0 HB1 ALA A 52 -5.652 -16.386 -18.394 1.00 25.43 H new ATOM 0 HB2 ALA A 52 -4.777 -16.702 -19.911 1.00 25.43 H new ATOM 0 HB3 ALA A 52 -3.956 -16.922 -18.348 1.00 25.43 H new ATOM 928 N LEU A 53 -3.280 -14.851 -16.698 1.00 25.41 N ATOM 929 CA LEU A 53 -3.123 -14.394 -15.320 1.00 71.13 C ATOM 930 C LEU A 53 -2.470 -13.017 -15.275 1.00 2.31 C ATOM 931 O LEU A 53 -1.342 -12.837 -15.734 1.00 40.21 O ATOM 932 CB LEU A 53 -2.286 -15.394 -14.523 1.00 33.43 C ATOM 933 CG LEU A 53 -1.688 -14.876 -13.214 1.00 14.10 C ATOM 934 CD1 LEU A 53 -2.776 -14.299 -12.322 1.00 62.32 C ATOM 935 CD2 LEU A 53 -0.939 -15.988 -12.493 1.00 22.30 C ATOM 0 H LEU A 53 -2.658 -15.615 -16.963 1.00 25.41 H new ATOM 0 HA LEU A 53 -4.114 -14.321 -14.872 1.00 71.13 H new ATOM 0 HB2 LEU A 53 -2.908 -16.260 -14.297 1.00 33.43 H new ATOM 0 HB3 LEU A 53 -1.472 -15.743 -15.158 1.00 33.43 H new ATOM 0 HG LEU A 53 -0.980 -14.081 -13.449 1.00 14.10 H new ATOM 0 HD11 LEU A 53 -2.332 -13.935 -11.395 1.00 62.32 H new ATOM 0 HD12 LEU A 53 -3.269 -13.474 -12.836 1.00 62.32 H new ATOM 0 HD13 LEU A 53 -3.508 -15.073 -12.094 1.00 62.32 H new ATOM 0 HD21 LEU A 53 -0.520 -15.602 -11.564 1.00 22.30 H new ATOM 0 HD22 LEU A 53 -1.626 -16.804 -12.269 1.00 22.30 H new ATOM 0 HD23 LEU A 53 -0.134 -16.356 -13.129 1.00 22.30 H new ATOM 947 N LYS A 54 -3.186 -12.047 -14.717 1.00 45.32 N ATOM 948 CA LYS A 54 -2.677 -10.684 -14.607 1.00 61.41 C ATOM 949 C LYS A 54 -2.665 -10.223 -13.153 1.00 13.35 C ATOM 950 O LYS A 54 -3.617 -10.460 -12.410 1.00 12.52 O ATOM 951 CB LYS A 54 -3.526 -9.730 -15.450 1.00 13.14 C ATOM 952 CG LYS A 54 -3.592 -10.111 -16.918 1.00 74.03 C ATOM 953 CD LYS A 54 -4.057 -8.946 -17.776 1.00 45.21 C ATOM 954 CE LYS A 54 -3.777 -9.192 -19.251 1.00 21.24 C ATOM 955 NZ LYS A 54 -4.722 -8.447 -20.127 1.00 60.05 N ATOM 0 H LYS A 54 -4.122 -12.179 -14.333 1.00 45.32 H new ATOM 0 HA LYS A 54 -1.653 -10.674 -14.981 1.00 61.41 H new ATOM 0 HB2 LYS A 54 -4.537 -9.702 -15.045 1.00 13.14 H new ATOM 0 HB3 LYS A 54 -3.120 -8.722 -15.363 1.00 13.14 H new ATOM 0 HG2 LYS A 54 -2.609 -10.442 -17.254 1.00 74.03 H new ATOM 0 HG3 LYS A 54 -4.272 -10.953 -17.046 1.00 74.03 H new ATOM 0 HD2 LYS A 54 -5.125 -8.788 -17.629 1.00 45.21 H new ATOM 0 HD3 LYS A 54 -3.553 -8.034 -17.456 1.00 45.21 H new ATOM 0 HE2 LYS A 54 -2.755 -8.892 -19.481 1.00 21.24 H new ATOM 0 HE3 LYS A 54 -3.851 -10.259 -19.462 1.00 21.24 H new ATOM 0 HZ1 LYS A 54 -4.498 -8.641 -21.124 1.00 60.05 H new ATOM 0 HZ2 LYS A 54 -5.696 -8.752 -19.925 1.00 60.05 H new ATOM 0 HZ3 LYS A 54 -4.634 -7.427 -19.945 1.00 60.05 H new ATOM 969 N ASN A 55 -1.583 -9.563 -12.755 1.00 41.52 N ATOM 970 CA ASN A 55 -1.450 -9.067 -11.389 1.00 72.14 C ATOM 971 C ASN A 55 -2.084 -7.687 -11.248 1.00 0.12 C ATOM 972 O ASN A 55 -1.643 -6.721 -11.871 1.00 55.33 O ATOM 973 CB ASN A 55 0.025 -9.006 -10.988 1.00 74.33 C ATOM 974 CG ASN A 55 0.514 -10.307 -10.382 1.00 11.15 C ATOM 975 OD1 ASN A 55 -0.281 -11.189 -10.054 1.00 33.34 O ATOM 976 ND2 ASN A 55 1.827 -10.434 -10.229 1.00 45.54 N ATOM 0 H ASN A 55 -0.786 -9.359 -13.358 1.00 41.52 H new ATOM 0 HA ASN A 55 -1.972 -9.757 -10.726 1.00 72.14 H new ATOM 0 HB2 ASN A 55 0.627 -8.768 -11.865 1.00 74.33 H new ATOM 0 HB3 ASN A 55 0.171 -8.197 -10.272 1.00 74.33 H new ATOM 0 HD21 ASN A 55 2.213 -11.288 -9.826 1.00 45.54 H new ATOM 0 HD22 ASN A 55 2.449 -9.678 -10.515 1.00 45.54 H new ATOM 983 N LYS A 56 -3.121 -7.601 -10.421 1.00 54.45 N ATOM 984 CA LYS A 56 -3.817 -6.339 -10.194 1.00 63.44 C ATOM 985 C LYS A 56 -3.131 -5.530 -9.097 1.00 63.42 C ATOM 986 O LYS A 56 -2.283 -6.047 -8.370 1.00 52.52 O ATOM 987 CB LYS A 56 -5.276 -6.599 -9.815 1.00 4.31 C ATOM 988 CG LYS A 56 -6.259 -6.274 -10.925 1.00 15.14 C ATOM 989 CD LYS A 56 -7.617 -6.908 -10.670 1.00 20.40 C ATOM 990 CE LYS A 56 -7.587 -8.409 -10.916 1.00 73.54 C ATOM 991 NZ LYS A 56 -7.847 -8.742 -12.345 1.00 43.23 N ATOM 0 H LYS A 56 -3.498 -8.390 -9.897 1.00 54.45 H new ATOM 0 HA LYS A 56 -3.786 -5.763 -11.119 1.00 63.44 H new ATOM 0 HB2 LYS A 56 -5.389 -7.647 -9.536 1.00 4.31 H new ATOM 0 HB3 LYS A 56 -5.525 -6.006 -8.935 1.00 4.31 H new ATOM 0 HG2 LYS A 56 -6.371 -5.193 -11.008 1.00 15.14 H new ATOM 0 HG3 LYS A 56 -5.864 -6.628 -11.877 1.00 15.14 H new ATOM 0 HD2 LYS A 56 -7.924 -6.713 -9.642 1.00 20.40 H new ATOM 0 HD3 LYS A 56 -8.362 -6.447 -11.318 1.00 20.40 H new ATOM 0 HE2 LYS A 56 -6.616 -8.806 -10.621 1.00 73.54 H new ATOM 0 HE3 LYS A 56 -8.334 -8.895 -10.288 1.00 73.54 H new ATOM 0 HZ1 LYS A 56 -7.818 -9.774 -12.472 1.00 43.23 H new ATOM 0 HZ2 LYS A 56 -8.785 -8.385 -12.619 1.00 43.23 H new ATOM 0 HZ3 LYS A 56 -7.120 -8.299 -12.942 1.00 43.23 H new ATOM 1005 N ASN A 57 -3.505 -4.260 -8.984 1.00 62.21 N ATOM 1006 CA ASN A 57 -2.926 -3.379 -7.975 1.00 33.34 C ATOM 1007 C ASN A 57 -3.726 -3.441 -6.677 1.00 61.01 C ATOM 1008 O ASN A 57 -4.903 -3.082 -6.642 1.00 71.12 O ATOM 1009 CB ASN A 57 -2.879 -1.940 -8.490 1.00 73.31 C ATOM 1010 CG ASN A 57 -4.239 -1.441 -8.937 1.00 32.13 C ATOM 1011 OD1 ASN A 57 -5.003 -0.893 -8.142 1.00 13.21 O ATOM 1012 ND2 ASN A 57 -4.548 -1.630 -10.214 1.00 54.31 N ATOM 0 H ASN A 57 -4.206 -3.817 -9.578 1.00 62.21 H new ATOM 0 HA ASN A 57 -1.910 -3.718 -7.772 1.00 33.34 H new ATOM 0 HB2 ASN A 57 -2.496 -1.288 -7.705 1.00 73.31 H new ATOM 0 HB3 ASN A 57 -2.180 -1.878 -9.324 1.00 73.31 H new ATOM 0 HD21 ASN A 57 -5.450 -1.316 -10.572 1.00 54.31 H new ATOM 0 HD22 ASN A 57 -3.883 -2.089 -10.837 1.00 54.31 H new ATOM 1019 N LYS A 58 -3.078 -3.898 -5.610 1.00 43.23 N ATOM 1020 CA LYS A 58 -3.726 -4.005 -4.308 1.00 51.35 C ATOM 1021 C LYS A 58 -3.592 -2.702 -3.525 1.00 72.42 C ATOM 1022 O LYS A 58 -2.920 -1.769 -3.965 1.00 23.31 O ATOM 1023 CB LYS A 58 -3.119 -5.159 -3.507 1.00 62.13 C ATOM 1024 CG LYS A 58 -3.550 -6.531 -3.996 1.00 62.14 C ATOM 1025 CD LYS A 58 -2.711 -6.990 -5.178 1.00 24.45 C ATOM 1026 CE LYS A 58 -3.008 -8.436 -5.543 1.00 14.13 C ATOM 1027 NZ LYS A 58 -2.422 -8.808 -6.859 1.00 72.14 N ATOM 0 H LYS A 58 -2.104 -4.200 -5.622 1.00 43.23 H new ATOM 0 HA LYS A 58 -4.785 -4.202 -4.472 1.00 51.35 H new ATOM 0 HB2 LYS A 58 -2.032 -5.091 -3.554 1.00 62.13 H new ATOM 0 HB3 LYS A 58 -3.400 -5.051 -2.460 1.00 62.13 H new ATOM 0 HG2 LYS A 58 -3.461 -7.252 -3.184 1.00 62.14 H new ATOM 0 HG3 LYS A 58 -4.601 -6.502 -4.284 1.00 62.14 H new ATOM 0 HD2 LYS A 58 -2.909 -6.349 -6.037 1.00 24.45 H new ATOM 0 HD3 LYS A 58 -1.653 -6.884 -4.938 1.00 24.45 H new ATOM 0 HE2 LYS A 58 -2.611 -9.094 -4.770 1.00 14.13 H new ATOM 0 HE3 LYS A 58 -4.087 -8.589 -5.570 1.00 14.13 H new ATOM 0 HZ1 LYS A 58 -3.038 -9.501 -7.330 1.00 72.14 H new ATOM 0 HZ2 LYS A 58 -2.338 -7.959 -7.454 1.00 72.14 H new ATOM 0 HZ3 LYS A 58 -1.480 -9.224 -6.714 1.00 72.14 H new ATOM 1041 N ALA A 59 -4.234 -2.648 -2.363 1.00 55.23 N ATOM 1042 CA ALA A 59 -4.183 -1.462 -1.518 1.00 50.42 C ATOM 1043 C ALA A 59 -2.895 -1.423 -0.703 1.00 51.14 C ATOM 1044 O ALA A 59 -2.095 -0.497 -0.835 1.00 51.53 O ATOM 1045 CB ALA A 59 -5.394 -1.418 -0.597 1.00 1.50 C ATOM 0 H ALA A 59 -4.795 -3.411 -1.986 1.00 55.23 H new ATOM 0 HA ALA A 59 -4.199 -0.585 -2.165 1.00 50.42 H new ATOM 0 HB1 ALA A 59 -5.343 -0.527 0.029 1.00 1.50 H new ATOM 0 HB2 ALA A 59 -6.305 -1.390 -1.195 1.00 1.50 H new ATOM 0 HB3 ALA A 59 -5.402 -2.306 0.036 1.00 1.50 H new ATOM 1051 N GLU A 60 -2.702 -2.433 0.139 1.00 63.12 N ATOM 1052 CA GLU A 60 -1.511 -2.512 0.975 1.00 23.23 C ATOM 1053 C GLU A 60 -0.405 -3.299 0.276 1.00 51.41 C ATOM 1054 O GLU A 60 -0.675 -4.121 -0.598 1.00 22.42 O ATOM 1055 CB GLU A 60 -1.845 -3.165 2.318 1.00 32.04 C ATOM 1056 CG GLU A 60 -0.763 -2.988 3.369 1.00 70.34 C ATOM 1057 CD GLU A 60 0.431 -3.895 3.135 1.00 51.51 C ATOM 1058 OE1 GLU A 60 0.257 -5.130 3.191 1.00 21.31 O ATOM 1059 OE2 GLU A 60 1.538 -3.369 2.896 1.00 41.51 O ATOM 0 H GLU A 60 -3.355 -3.207 0.260 1.00 63.12 H new ATOM 0 HA GLU A 60 -1.155 -1.497 1.151 1.00 23.23 H new ATOM 0 HB2 GLU A 60 -2.777 -2.744 2.695 1.00 32.04 H new ATOM 0 HB3 GLU A 60 -2.016 -4.230 2.161 1.00 32.04 H new ATOM 0 HG2 GLU A 60 -0.431 -1.950 3.372 1.00 70.34 H new ATOM 0 HG3 GLU A 60 -1.182 -3.192 4.354 1.00 70.34 H new TER 1066 GLU A 60 HETATM 1067 ZN ZN A 100 4.120 12.907 -4.658 1.00 54.10 ZN