USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=23 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 Set 1.1: A 11 TYR OH : rot 112:sc= 0.00783 USER MOD Set 1.2: A 38 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00632) 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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.325 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 178:sc= 0.962 USER MOD Single : A 15 GLN : amide:sc= -1.15 K(o=-1.1,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 26:sc= 0.34 USER MOD Single : A 20 GLN : amide:sc= -0.0955 K(o=-0.095,f=-1.6!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 39 ASN : amide:sc= -0.928 X(o=-0.93,f=-1.2) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 166:sc=-0.00285 (180deg=-0.0883) 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+ 171:sc= 0 (180deg=-0.0311) USER MOD Single : A 62 LYS NZ :NH3+ -150:sc= 0.983 (180deg=0.435) USER MOD Single : A 64 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.351) 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 33:sc= 0.383 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.240 20.694 8.806 1.00 0.00 N ATOM 2 CA GLY A 1 -8.662 19.773 7.766 1.00 0.00 C ATOM 3 C GLY A 1 -7.538 18.866 7.307 1.00 0.00 C ATOM 4 O GLY A 1 -6.836 18.272 8.125 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.043 21.293 9.086 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.904 20.156 9.631 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.470 21.294 8.447 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.488 19.165 8.136 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.039 20.339 6.914 1.00 0.00 H new ATOM 8 N SER A 2 -7.367 18.757 5.993 1.00 0.00 N ATOM 9 CA SER A 2 -6.324 17.911 5.425 1.00 0.00 C ATOM 10 C SER A 2 -5.541 18.661 4.351 1.00 0.00 C ATOM 11 O SER A 2 -6.000 18.804 3.219 1.00 0.00 O ATOM 12 CB SER A 2 -6.935 16.640 4.832 1.00 0.00 C ATOM 13 OG SER A 2 -7.106 15.645 5.826 1.00 0.00 O ATOM 0 H SER A 2 -7.938 19.244 5.302 1.00 0.00 H new ATOM 0 HA SER A 2 -5.638 17.636 6.226 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.898 16.873 4.377 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.292 16.259 4.039 1.00 0.00 H new ATOM 0 HG SER A 2 -7.500 14.843 5.422 1.00 0.00 H new ATOM 19 N SER A 3 -4.355 19.138 4.718 1.00 0.00 N ATOM 20 CA SER A 3 -3.508 19.876 3.788 1.00 0.00 C ATOM 21 C SER A 3 -2.050 19.451 3.928 1.00 0.00 C ATOM 22 O SER A 3 -1.478 19.502 5.015 1.00 0.00 O ATOM 23 CB SER A 3 -3.639 21.381 4.032 1.00 0.00 C ATOM 24 OG SER A 3 -3.200 22.120 2.906 1.00 0.00 O ATOM 0 H SER A 3 -3.960 19.027 5.652 1.00 0.00 H new ATOM 0 HA SER A 3 -3.838 19.649 2.774 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.678 21.628 4.251 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.053 21.663 4.907 1.00 0.00 H new ATOM 0 HG SER A 3 -3.295 23.079 3.086 1.00 0.00 H new ATOM 30 N GLY A 4 -1.453 19.032 2.816 1.00 0.00 N ATOM 31 CA GLY A 4 -0.067 18.604 2.834 1.00 0.00 C ATOM 32 C GLY A 4 0.327 17.858 1.574 1.00 0.00 C ATOM 33 O GLY A 4 0.302 18.421 0.479 1.00 0.00 O ATOM 0 H GLY A 4 -1.905 18.982 1.903 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.577 19.475 2.953 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.101 17.963 3.699 1.00 0.00 H new ATOM 37 N SER A 5 0.693 16.590 1.729 1.00 0.00 N ATOM 38 CA SER A 5 1.098 15.768 0.595 1.00 0.00 C ATOM 39 C SER A 5 0.430 14.397 0.651 1.00 0.00 C ATOM 40 O SER A 5 0.389 13.758 1.701 1.00 0.00 O ATOM 41 CB SER A 5 2.620 15.606 0.575 1.00 0.00 C ATOM 42 OG SER A 5 3.080 14.959 1.749 1.00 0.00 O ATOM 0 H SER A 5 0.717 16.110 2.628 1.00 0.00 H new ATOM 0 HA SER A 5 0.780 16.270 -0.319 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.916 15.029 -0.301 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.092 16.585 0.487 1.00 0.00 H new ATOM 0 HG SER A 5 4.055 14.866 1.711 1.00 0.00 H new ATOM 48 N SER A 6 -0.091 13.954 -0.489 1.00 0.00 N ATOM 49 CA SER A 6 -0.761 12.662 -0.570 1.00 0.00 C ATOM 50 C SER A 6 0.174 11.537 -0.138 1.00 0.00 C ATOM 51 O SER A 6 1.093 11.165 -0.866 1.00 0.00 O ATOM 52 CB SER A 6 -1.257 12.409 -1.995 1.00 0.00 C ATOM 53 OG SER A 6 -2.414 11.591 -1.996 1.00 0.00 O ATOM 0 H SER A 6 -0.062 14.470 -1.368 1.00 0.00 H new ATOM 0 HA SER A 6 -1.615 12.681 0.107 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.480 13.360 -2.480 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.470 11.931 -2.578 1.00 0.00 H new ATOM 0 HG SER A 6 -2.711 11.446 -2.918 1.00 0.00 H new ATOM 59 N GLY A 7 -0.068 10.998 1.053 1.00 0.00 N ATOM 60 CA GLY A 7 0.760 9.921 1.563 1.00 0.00 C ATOM 61 C GLY A 7 2.209 10.334 1.729 1.00 0.00 C ATOM 62 O GLY A 7 2.759 11.044 0.889 1.00 0.00 O ATOM 0 H GLY A 7 -0.823 11.288 1.674 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.368 9.589 2.524 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.703 9.070 0.884 1.00 0.00 H new ATOM 66 N GLU A 8 2.828 9.888 2.818 1.00 0.00 N ATOM 67 CA GLU A 8 4.222 10.217 3.092 1.00 0.00 C ATOM 68 C GLU A 8 5.139 9.052 2.729 1.00 0.00 C ATOM 69 O GLU A 8 6.231 9.251 2.198 1.00 0.00 O ATOM 70 CB GLU A 8 4.403 10.581 4.568 1.00 0.00 C ATOM 71 CG GLU A 8 5.791 10.272 5.105 1.00 0.00 C ATOM 72 CD GLU A 8 6.209 11.217 6.215 1.00 0.00 C ATOM 73 OE1 GLU A 8 5.486 11.299 7.230 1.00 0.00 O ATOM 74 OE2 GLU A 8 7.261 11.873 6.068 1.00 0.00 O ATOM 0 H GLU A 8 2.387 9.299 3.524 1.00 0.00 H new ATOM 0 HA GLU A 8 4.493 11.075 2.477 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.200 11.644 4.699 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.665 10.040 5.160 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.813 9.248 5.477 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.513 10.331 4.291 1.00 0.00 H new ATOM 81 N GLU A 9 4.684 7.837 3.018 1.00 0.00 N ATOM 82 CA GLU A 9 5.465 6.640 2.723 1.00 0.00 C ATOM 83 C GLU A 9 4.816 5.831 1.604 1.00 0.00 C ATOM 84 O GLU A 9 3.750 5.242 1.785 1.00 0.00 O ATOM 85 CB GLU A 9 5.606 5.775 3.977 1.00 0.00 C ATOM 86 CG GLU A 9 6.085 6.544 5.196 1.00 0.00 C ATOM 87 CD GLU A 9 7.435 7.199 4.980 1.00 0.00 C ATOM 88 OE1 GLU A 9 8.207 6.702 4.135 1.00 0.00 O ATOM 89 OE2 GLU A 9 7.720 8.209 5.658 1.00 0.00 O ATOM 0 H GLU A 9 3.781 7.655 3.455 1.00 0.00 H new ATOM 0 HA GLU A 9 6.456 6.954 2.394 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.643 5.317 4.202 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.305 4.964 3.772 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.351 7.309 5.450 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.146 5.866 6.047 1.00 0.00 H new ATOM 96 N LYS A 10 5.467 5.807 0.446 1.00 0.00 N ATOM 97 CA LYS A 10 4.956 5.071 -0.704 1.00 0.00 C ATOM 98 C LYS A 10 5.677 3.736 -0.860 1.00 0.00 C ATOM 99 O LYS A 10 6.905 3.689 -0.946 1.00 0.00 O ATOM 100 CB LYS A 10 5.116 5.901 -1.980 1.00 0.00 C ATOM 101 CG LYS A 10 4.001 6.910 -2.193 1.00 0.00 C ATOM 102 CD LYS A 10 3.785 7.198 -3.669 1.00 0.00 C ATOM 103 CE LYS A 10 4.724 8.284 -4.170 1.00 0.00 C ATOM 104 NZ LYS A 10 4.197 9.648 -3.886 1.00 0.00 N ATOM 0 H LYS A 10 6.350 6.289 0.279 1.00 0.00 H new ATOM 0 HA LYS A 10 3.897 4.875 -0.536 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.069 6.428 -1.943 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.156 5.229 -2.838 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.077 6.531 -1.756 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.243 7.836 -1.672 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.942 6.286 -4.245 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.752 7.505 -3.833 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.700 8.166 -3.698 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.873 8.168 -5.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.866 10.360 -4.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.278 9.770 -4.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.079 9.768 -2.860 1.00 0.00 H new ATOM 118 N TYR A 11 4.908 2.653 -0.896 1.00 0.00 N ATOM 119 CA TYR A 11 5.475 1.318 -1.040 1.00 0.00 C ATOM 120 C TYR A 11 5.124 0.721 -2.400 1.00 0.00 C ATOM 121 O TYR A 11 4.419 1.337 -3.198 1.00 0.00 O ATOM 122 CB TYR A 11 4.969 0.403 0.077 1.00 0.00 C ATOM 123 CG TYR A 11 5.740 0.542 1.370 1.00 0.00 C ATOM 124 CD1 TYR A 11 5.883 1.780 1.986 1.00 0.00 C ATOM 125 CD2 TYR A 11 6.326 -0.563 1.974 1.00 0.00 C ATOM 126 CE1 TYR A 11 6.588 1.912 3.167 1.00 0.00 C ATOM 127 CE2 TYR A 11 7.030 -0.440 3.157 1.00 0.00 C ATOM 128 CZ TYR A 11 7.159 0.800 3.749 1.00 0.00 C ATOM 129 OH TYR A 11 7.861 0.926 4.925 1.00 0.00 O ATOM 0 H TYR A 11 3.891 2.674 -0.827 1.00 0.00 H new ATOM 0 HA TYR A 11 6.559 1.402 -0.969 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.918 0.621 0.265 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.024 -0.632 -0.260 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.436 2.653 1.534 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.230 -1.534 1.512 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.691 2.881 3.632 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.477 -1.310 3.616 1.00 0.00 H new ATOM 0 HH TYR A 11 7.370 0.484 5.648 1.00 0.00 H new ATOM 139 N VAL A 12 5.623 -0.485 -2.656 1.00 0.00 N ATOM 140 CA VAL A 12 5.362 -1.168 -3.918 1.00 0.00 C ATOM 141 C VAL A 12 4.887 -2.597 -3.681 1.00 0.00 C ATOM 142 O VAL A 12 5.325 -3.261 -2.742 1.00 0.00 O ATOM 143 CB VAL A 12 6.617 -1.196 -4.810 1.00 0.00 C ATOM 144 CG1 VAL A 12 6.395 -2.096 -6.016 1.00 0.00 C ATOM 145 CG2 VAL A 12 6.991 0.212 -5.248 1.00 0.00 C ATOM 0 H VAL A 12 6.210 -1.009 -2.006 1.00 0.00 H new ATOM 0 HA VAL A 12 4.577 -0.607 -4.426 1.00 0.00 H new ATOM 0 HB VAL A 12 7.445 -1.604 -4.229 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.292 -2.103 -6.635 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.179 -3.110 -5.679 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.555 -1.721 -6.600 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.880 0.173 -5.878 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.166 0.649 -5.811 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.195 0.824 -4.370 1.00 0.00 H new ATOM 155 N THR A 13 3.988 -3.065 -4.541 1.00 0.00 N ATOM 156 CA THR A 13 3.452 -4.416 -4.425 1.00 0.00 C ATOM 157 C THR A 13 4.265 -5.402 -5.256 1.00 0.00 C ATOM 158 O THR A 13 4.512 -5.176 -6.441 1.00 0.00 O ATOM 159 CB THR A 13 1.979 -4.477 -4.872 1.00 0.00 C ATOM 160 OG1 THR A 13 1.903 -4.509 -6.302 1.00 0.00 O ATOM 161 CG2 THR A 13 1.204 -3.279 -4.345 1.00 0.00 C ATOM 0 H THR A 13 3.616 -2.529 -5.325 1.00 0.00 H new ATOM 0 HA THR A 13 3.516 -4.692 -3.373 1.00 0.00 H new ATOM 0 HB THR A 13 1.535 -5.385 -4.464 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.966 -4.589 -6.578 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.167 -3.344 -4.673 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.240 -3.273 -3.256 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.649 -2.361 -4.728 1.00 0.00 H new ATOM 169 N VAL A 14 4.678 -6.499 -4.629 1.00 0.00 N ATOM 170 CA VAL A 14 5.461 -7.521 -5.311 1.00 0.00 C ATOM 171 C VAL A 14 4.591 -8.710 -5.704 1.00 0.00 C ATOM 172 O VAL A 14 5.027 -9.594 -6.439 1.00 0.00 O ATOM 173 CB VAL A 14 6.623 -8.020 -4.431 1.00 0.00 C ATOM 174 CG1 VAL A 14 7.717 -6.966 -4.346 1.00 0.00 C ATOM 175 CG2 VAL A 14 6.120 -8.391 -3.044 1.00 0.00 C ATOM 0 H VAL A 14 4.483 -6.702 -3.649 1.00 0.00 H new ATOM 0 HA VAL A 14 5.868 -7.058 -6.210 1.00 0.00 H new ATOM 0 HB VAL A 14 7.046 -8.914 -4.889 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.530 -7.335 -3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.096 -6.753 -5.346 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.310 -6.053 -3.911 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.954 -8.741 -2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.671 -7.516 -2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.374 -9.182 -3.127 1.00 0.00 H new ATOM 185 N GLN A 15 3.357 -8.722 -5.209 1.00 0.00 N ATOM 186 CA GLN A 15 2.425 -9.803 -5.508 1.00 0.00 C ATOM 187 C GLN A 15 0.985 -9.303 -5.477 1.00 0.00 C ATOM 188 O GLN A 15 0.615 -8.449 -4.670 1.00 0.00 O ATOM 189 CB GLN A 15 2.602 -10.949 -4.511 1.00 0.00 C ATOM 190 CG GLN A 15 3.898 -11.722 -4.696 1.00 0.00 C ATOM 191 CD GLN A 15 3.921 -12.523 -5.983 1.00 0.00 C ATOM 192 OE1 GLN A 15 3.784 -11.969 -7.074 1.00 0.00 O ATOM 193 NE2 GLN A 15 4.094 -13.834 -5.862 1.00 0.00 N ATOM 0 H GLN A 15 2.980 -7.996 -4.600 1.00 0.00 H new ATOM 0 HA GLN A 15 2.642 -10.169 -6.512 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.570 -10.547 -3.498 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.762 -11.637 -4.608 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.736 -11.025 -4.691 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.039 -12.396 -3.851 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.203 -14.251 -4.937 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.117 -14.424 -6.694 1.00 0.00 H new ATOM 202 N PRO A 16 0.150 -9.847 -6.375 1.00 0.00 N ATOM 203 CA PRO A 16 -1.264 -9.470 -6.470 1.00 0.00 C ATOM 204 C PRO A 16 -2.075 -9.960 -5.274 1.00 0.00 C ATOM 205 O PRO A 16 -1.889 -11.082 -4.802 1.00 0.00 O ATOM 206 CB PRO A 16 -1.731 -10.165 -7.751 1.00 0.00 C ATOM 207 CG PRO A 16 -0.804 -11.321 -7.915 1.00 0.00 C ATOM 208 CD PRO A 16 0.521 -10.870 -7.366 1.00 0.00 C ATOM 0 HA PRO A 16 -1.398 -8.388 -6.482 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.766 -10.496 -7.667 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.680 -9.492 -8.607 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.172 -12.195 -7.378 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.716 -11.605 -8.964 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.067 -11.694 -6.907 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.161 -10.459 -8.147 1.00 0.00 H new ATOM 216 N TYR A 17 -2.975 -9.111 -4.789 1.00 0.00 N ATOM 217 CA TYR A 17 -3.813 -9.456 -3.647 1.00 0.00 C ATOM 218 C TYR A 17 -5.292 -9.322 -3.996 1.00 0.00 C ATOM 219 O TYR A 17 -5.716 -8.327 -4.586 1.00 0.00 O ATOM 220 CB TYR A 17 -3.477 -8.562 -2.453 1.00 0.00 C ATOM 221 CG TYR A 17 -4.177 -8.969 -1.176 1.00 0.00 C ATOM 222 CD1 TYR A 17 -3.667 -9.983 -0.373 1.00 0.00 C ATOM 223 CD2 TYR A 17 -5.347 -8.339 -0.771 1.00 0.00 C ATOM 224 CE1 TYR A 17 -4.304 -10.358 0.794 1.00 0.00 C ATOM 225 CE2 TYR A 17 -5.989 -8.707 0.396 1.00 0.00 C ATOM 226 CZ TYR A 17 -5.464 -9.717 1.174 1.00 0.00 C ATOM 227 OH TYR A 17 -6.101 -10.088 2.337 1.00 0.00 O ATOM 0 H TYR A 17 -3.143 -8.179 -5.169 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.613 -10.494 -3.383 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.400 -8.580 -2.288 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -3.746 -7.533 -2.693 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.757 -10.486 -0.667 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.762 -7.548 -1.378 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.896 -11.149 1.405 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -6.897 -8.206 0.697 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.903 -9.538 2.461 1.00 0.00 H new ATOM 237 N THR A 18 -6.075 -10.331 -3.628 1.00 0.00 N ATOM 238 CA THR A 18 -7.506 -10.328 -3.901 1.00 0.00 C ATOM 239 C THR A 18 -8.305 -9.984 -2.649 1.00 0.00 C ATOM 240 O THR A 18 -8.231 -10.688 -1.641 1.00 0.00 O ATOM 241 CB THR A 18 -7.978 -11.693 -4.439 1.00 0.00 C ATOM 242 OG1 THR A 18 -7.285 -12.008 -5.651 1.00 0.00 O ATOM 243 CG2 THR A 18 -9.478 -11.684 -4.694 1.00 0.00 C ATOM 0 H THR A 18 -5.741 -11.162 -3.139 1.00 0.00 H new ATOM 0 HA THR A 18 -7.681 -9.566 -4.660 1.00 0.00 H new ATOM 0 HB THR A 18 -7.757 -12.451 -3.688 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.589 -12.877 -5.985 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.788 -12.658 -5.073 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.004 -11.473 -3.763 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.718 -10.915 -5.429 1.00 0.00 H new ATOM 251 N SER A 19 -9.068 -8.899 -2.720 1.00 0.00 N ATOM 252 CA SER A 19 -9.879 -8.460 -1.590 1.00 0.00 C ATOM 253 C SER A 19 -11.188 -9.243 -1.523 1.00 0.00 C ATOM 254 O SER A 19 -11.971 -9.243 -2.472 1.00 0.00 O ATOM 255 CB SER A 19 -10.173 -6.962 -1.696 1.00 0.00 C ATOM 256 OG SER A 19 -10.826 -6.657 -2.916 1.00 0.00 O ATOM 0 H SER A 19 -9.142 -8.307 -3.548 1.00 0.00 H new ATOM 0 HA SER A 19 -9.315 -8.649 -0.676 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.796 -6.650 -0.858 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.242 -6.399 -1.627 1.00 0.00 H new ATOM 0 HG SER A 19 -11.310 -7.448 -3.235 1.00 0.00 H new ATOM 262 N GLN A 20 -11.415 -9.909 -0.396 1.00 0.00 N ATOM 263 CA GLN A 20 -12.626 -10.696 -0.205 1.00 0.00 C ATOM 264 C GLN A 20 -13.776 -9.817 0.278 1.00 0.00 C ATOM 265 O GLN A 20 -14.942 -10.094 -0.003 1.00 0.00 O ATOM 266 CB GLN A 20 -12.375 -11.824 0.797 1.00 0.00 C ATOM 267 CG GLN A 20 -11.674 -13.030 0.194 1.00 0.00 C ATOM 268 CD GLN A 20 -10.181 -12.818 0.035 1.00 0.00 C ATOM 269 OE1 GLN A 20 -9.573 -12.029 0.760 1.00 0.00 O ATOM 270 NE2 GLN A 20 -9.581 -13.523 -0.917 1.00 0.00 N ATOM 0 H GLN A 20 -10.776 -9.919 0.399 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.902 -11.129 -1.166 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.774 -11.439 1.621 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.328 -12.142 1.219 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -11.848 -13.901 0.826 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -12.112 -13.251 -0.780 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.123 -14.165 -1.495 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.578 -13.422 -1.071 1.00 0.00 H new ATOM 279 N SER A 21 -13.439 -8.758 1.007 1.00 0.00 N ATOM 280 CA SER A 21 -14.444 -7.841 1.533 1.00 0.00 C ATOM 281 C SER A 21 -14.036 -6.392 1.290 1.00 0.00 C ATOM 282 O SER A 21 -12.856 -6.086 1.119 1.00 0.00 O ATOM 283 CB SER A 21 -14.650 -8.081 3.029 1.00 0.00 C ATOM 284 OG SER A 21 -15.475 -9.211 3.256 1.00 0.00 O ATOM 0 H SER A 21 -12.478 -8.514 1.247 1.00 0.00 H new ATOM 0 HA SER A 21 -15.382 -8.029 1.010 1.00 0.00 H new ATOM 0 HB2 SER A 21 -13.685 -8.229 3.513 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.103 -7.199 3.483 1.00 0.00 H new ATOM 0 HG SER A 21 -15.590 -9.344 4.220 1.00 0.00 H new ATOM 290 N LYS A 22 -15.022 -5.501 1.275 1.00 0.00 N ATOM 291 CA LYS A 22 -14.769 -4.082 1.054 1.00 0.00 C ATOM 292 C LYS A 22 -13.658 -3.578 1.972 1.00 0.00 C ATOM 293 O LYS A 22 -12.779 -2.829 1.545 1.00 0.00 O ATOM 294 CB LYS A 22 -16.046 -3.273 1.290 1.00 0.00 C ATOM 295 CG LYS A 22 -16.612 -3.422 2.692 1.00 0.00 C ATOM 296 CD LYS A 22 -18.006 -2.827 2.796 1.00 0.00 C ATOM 297 CE LYS A 22 -17.955 -1.316 2.959 1.00 0.00 C ATOM 298 NZ LYS A 22 -19.275 -0.684 2.685 1.00 0.00 N ATOM 0 H LYS A 22 -16.005 -5.737 1.413 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.449 -3.952 0.020 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.839 -2.220 1.101 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.801 -3.583 0.568 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -16.645 -4.478 2.962 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -15.951 -2.931 3.406 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.578 -3.079 1.903 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.529 -3.268 3.644 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -17.638 -1.071 3.973 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -17.207 -0.903 2.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -19.199 0.346 2.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.566 -0.897 1.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -19.984 -1.059 3.347 1.00 0.00 H new ATOM 312 N ASP A 23 -13.705 -3.995 3.232 1.00 0.00 N ATOM 313 CA ASP A 23 -12.701 -3.588 4.209 1.00 0.00 C ATOM 314 C ASP A 23 -11.297 -3.691 3.621 1.00 0.00 C ATOM 315 O ASP A 23 -10.434 -2.862 3.904 1.00 0.00 O ATOM 316 CB ASP A 23 -12.805 -4.450 5.468 1.00 0.00 C ATOM 317 CG ASP A 23 -14.058 -4.157 6.269 1.00 0.00 C ATOM 318 OD1 ASP A 23 -15.121 -4.722 5.939 1.00 0.00 O ATOM 319 OD2 ASP A 23 -13.976 -3.361 7.228 1.00 0.00 O ATOM 0 H ASP A 23 -14.427 -4.614 3.601 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.889 -2.548 4.474 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.796 -5.503 5.186 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.929 -4.280 6.094 1.00 0.00 H new ATOM 324 N GLU A 24 -11.078 -4.715 2.802 1.00 0.00 N ATOM 325 CA GLU A 24 -9.778 -4.927 2.176 1.00 0.00 C ATOM 326 C GLU A 24 -9.771 -4.399 0.744 1.00 0.00 C ATOM 327 O GLU A 24 -10.825 -4.237 0.126 1.00 0.00 O ATOM 328 CB GLU A 24 -9.418 -6.414 2.186 1.00 0.00 C ATOM 329 CG GLU A 24 -9.320 -7.007 3.580 1.00 0.00 C ATOM 330 CD GLU A 24 -10.645 -7.549 4.080 1.00 0.00 C ATOM 331 OE1 GLU A 24 -11.147 -8.527 3.488 1.00 0.00 O ATOM 332 OE2 GLU A 24 -11.179 -6.994 5.063 1.00 0.00 O ATOM 0 H GLU A 24 -11.783 -5.410 2.557 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.033 -4.377 2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.168 -6.965 1.618 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.466 -6.552 1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.582 -7.809 3.578 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.960 -6.244 4.270 1.00 0.00 H new ATOM 339 N ILE A 25 -8.578 -4.134 0.223 1.00 0.00 N ATOM 340 CA ILE A 25 -8.434 -3.626 -1.136 1.00 0.00 C ATOM 341 C ILE A 25 -7.560 -4.551 -1.978 1.00 0.00 C ATOM 342 O ILE A 25 -6.457 -4.917 -1.576 1.00 0.00 O ATOM 343 CB ILE A 25 -7.825 -2.212 -1.146 1.00 0.00 C ATOM 344 CG1 ILE A 25 -8.097 -1.526 -2.486 1.00 0.00 C ATOM 345 CG2 ILE A 25 -6.330 -2.277 -0.872 1.00 0.00 C ATOM 346 CD1 ILE A 25 -7.762 -0.051 -2.489 1.00 0.00 C ATOM 0 H ILE A 25 -7.697 -4.263 0.721 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.435 -3.584 -1.566 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.294 -1.625 -0.356 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.518 -2.023 -3.264 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.149 -1.652 -2.742 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.914 -1.270 -0.882 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.158 -2.730 0.104 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.845 -2.878 -1.641 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.980 0.370 -3.471 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.360 0.460 -1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.704 0.082 -2.264 1.00 0.00 H new ATOM 358 N GLY A 26 -8.062 -4.922 -3.151 1.00 0.00 N ATOM 359 CA GLY A 26 -7.315 -5.799 -4.034 1.00 0.00 C ATOM 360 C GLY A 26 -6.476 -5.033 -5.038 1.00 0.00 C ATOM 361 O GLY A 26 -6.991 -4.191 -5.773 1.00 0.00 O ATOM 0 H GLY A 26 -8.973 -4.631 -3.506 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.667 -6.442 -3.439 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.008 -6.450 -4.566 1.00 0.00 H new ATOM 365 N PHE A 27 -5.180 -5.323 -5.068 1.00 0.00 N ATOM 366 CA PHE A 27 -4.267 -4.654 -5.986 1.00 0.00 C ATOM 367 C PHE A 27 -3.489 -5.670 -6.818 1.00 0.00 C ATOM 368 O PHE A 27 -3.495 -6.864 -6.521 1.00 0.00 O ATOM 369 CB PHE A 27 -3.296 -3.759 -5.214 1.00 0.00 C ATOM 370 CG PHE A 27 -2.758 -4.396 -3.965 1.00 0.00 C ATOM 371 CD1 PHE A 27 -2.078 -5.603 -4.025 1.00 0.00 C ATOM 372 CD2 PHE A 27 -2.932 -3.790 -2.732 1.00 0.00 C ATOM 373 CE1 PHE A 27 -1.582 -6.192 -2.878 1.00 0.00 C ATOM 374 CE2 PHE A 27 -2.437 -4.375 -1.581 1.00 0.00 C ATOM 375 CZ PHE A 27 -1.762 -5.578 -1.654 1.00 0.00 C ATOM 0 H PHE A 27 -4.738 -6.018 -4.466 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.860 -4.036 -6.661 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.463 -3.494 -5.865 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.802 -2.830 -4.950 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.935 -6.088 -4.979 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.460 -2.850 -2.669 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -1.054 -7.132 -2.938 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.578 -3.892 -0.626 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.376 -6.037 -0.756 1.00 0.00 H new ATOM 385 N GLU A 28 -2.819 -5.186 -7.859 1.00 0.00 N ATOM 386 CA GLU A 28 -2.037 -6.052 -8.733 1.00 0.00 C ATOM 387 C GLU A 28 -0.545 -5.909 -8.448 1.00 0.00 C ATOM 388 O GLU A 28 -0.129 -5.046 -7.675 1.00 0.00 O ATOM 389 CB GLU A 28 -2.321 -5.724 -10.200 1.00 0.00 C ATOM 390 CG GLU A 28 -1.814 -4.356 -10.627 1.00 0.00 C ATOM 391 CD GLU A 28 -2.364 -3.924 -11.972 1.00 0.00 C ATOM 392 OE1 GLU A 28 -3.492 -3.386 -12.006 1.00 0.00 O ATOM 393 OE2 GLU A 28 -1.669 -4.122 -12.990 1.00 0.00 O ATOM 0 H GLU A 28 -2.802 -4.199 -8.117 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.330 -7.083 -8.536 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.861 -6.486 -10.830 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.396 -5.774 -10.373 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.089 -3.619 -9.873 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.725 -4.374 -10.673 1.00 0.00 H new ATOM 400 N LYS A 29 0.256 -6.762 -9.077 1.00 0.00 N ATOM 401 CA LYS A 29 1.702 -6.732 -8.893 1.00 0.00 C ATOM 402 C LYS A 29 2.359 -5.787 -9.894 1.00 0.00 C ATOM 403 O LYS A 29 2.260 -5.984 -11.105 1.00 0.00 O ATOM 404 CB LYS A 29 2.286 -8.139 -9.043 1.00 0.00 C ATOM 405 CG LYS A 29 3.719 -8.152 -9.546 1.00 0.00 C ATOM 406 CD LYS A 29 4.209 -9.568 -9.800 1.00 0.00 C ATOM 407 CE LYS A 29 5.708 -9.603 -10.050 1.00 0.00 C ATOM 408 NZ LYS A 29 6.235 -10.996 -10.065 1.00 0.00 N ATOM 0 H LYS A 29 -0.072 -7.483 -9.719 1.00 0.00 H new ATOM 0 HA LYS A 29 1.907 -6.366 -7.887 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.244 -8.646 -8.079 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.663 -8.710 -9.731 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.788 -7.572 -10.466 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.366 -7.668 -8.815 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.967 -10.197 -8.943 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.686 -9.986 -10.660 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.929 -9.121 -11.002 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.219 -9.030 -9.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.260 -10.977 -10.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.047 -11.448 -9.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.766 -11.536 -10.820 1.00 0.00 H new ATOM 422 N GLY A 30 3.032 -4.762 -9.381 1.00 0.00 N ATOM 423 CA GLY A 30 3.696 -3.803 -10.246 1.00 0.00 C ATOM 424 C GLY A 30 3.026 -2.444 -10.226 1.00 0.00 C ATOM 425 O GLY A 30 2.985 -1.748 -11.241 1.00 0.00 O ATOM 0 H GLY A 30 3.130 -4.578 -8.382 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.735 -3.697 -9.935 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.706 -4.185 -11.267 1.00 0.00 H new ATOM 429 N VAL A 31 2.498 -2.063 -9.067 1.00 0.00 N ATOM 430 CA VAL A 31 1.827 -0.777 -8.919 1.00 0.00 C ATOM 431 C VAL A 31 2.327 -0.034 -7.686 1.00 0.00 C ATOM 432 O VAL A 31 3.062 -0.589 -6.867 1.00 0.00 O ATOM 433 CB VAL A 31 0.300 -0.950 -8.814 1.00 0.00 C ATOM 434 CG1 VAL A 31 -0.290 -1.324 -10.166 1.00 0.00 C ATOM 435 CG2 VAL A 31 -0.047 -1.996 -7.765 1.00 0.00 C ATOM 0 H VAL A 31 2.522 -2.627 -8.217 1.00 0.00 H new ATOM 0 HA VAL A 31 2.060 -0.195 -9.810 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.135 0.000 -8.505 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.370 -1.442 -10.072 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.073 -0.537 -10.888 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.149 -2.261 -10.508 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.130 -2.105 -7.704 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.399 -2.951 -8.042 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.341 -1.682 -6.796 1.00 0.00 H new ATOM 445 N THR A 32 1.926 1.228 -7.558 1.00 0.00 N ATOM 446 CA THR A 32 2.335 2.048 -6.425 1.00 0.00 C ATOM 447 C THR A 32 1.187 2.237 -5.440 1.00 0.00 C ATOM 448 O THR A 32 0.037 2.420 -5.839 1.00 0.00 O ATOM 449 CB THR A 32 2.835 3.431 -6.885 1.00 0.00 C ATOM 450 OG1 THR A 32 4.005 3.284 -7.696 1.00 0.00 O ATOM 451 CG2 THR A 32 3.148 4.319 -5.689 1.00 0.00 C ATOM 0 H THR A 32 1.319 1.703 -8.225 1.00 0.00 H new ATOM 0 HA THR A 32 3.151 1.520 -5.931 1.00 0.00 H new ATOM 0 HB THR A 32 2.045 3.902 -7.470 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.315 4.167 -7.986 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.499 5.290 -6.039 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.247 4.453 -5.090 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.922 3.851 -5.081 1.00 0.00 H new ATOM 459 N VAL A 33 1.506 2.193 -4.150 1.00 0.00 N ATOM 460 CA VAL A 33 0.501 2.361 -3.108 1.00 0.00 C ATOM 461 C VAL A 33 0.965 3.359 -2.052 1.00 0.00 C ATOM 462 O VAL A 33 2.161 3.486 -1.789 1.00 0.00 O ATOM 463 CB VAL A 33 0.174 1.021 -2.423 1.00 0.00 C ATOM 464 CG1 VAL A 33 -0.551 0.092 -3.385 1.00 0.00 C ATOM 465 CG2 VAL A 33 1.442 0.369 -1.894 1.00 0.00 C ATOM 0 H VAL A 33 2.453 2.042 -3.802 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.398 2.742 -3.593 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.486 1.217 -1.578 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.774 -0.850 -2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.481 0.559 -3.710 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.081 -0.100 -4.252 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.192 -0.577 -1.413 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.129 0.185 -2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.916 1.030 -1.169 1.00 0.00 H new ATOM 475 N GLU A 34 0.011 4.063 -1.452 1.00 0.00 N ATOM 476 CA GLU A 34 0.324 5.050 -0.425 1.00 0.00 C ATOM 477 C GLU A 34 -0.091 4.549 0.955 1.00 0.00 C ATOM 478 O GLU A 34 -1.278 4.382 1.236 1.00 0.00 O ATOM 479 CB GLU A 34 -0.377 6.376 -0.730 1.00 0.00 C ATOM 480 CG GLU A 34 0.354 7.229 -1.754 1.00 0.00 C ATOM 481 CD GLU A 34 -0.579 8.150 -2.518 1.00 0.00 C ATOM 482 OE1 GLU A 34 -1.485 8.733 -1.887 1.00 0.00 O ATOM 483 OE2 GLU A 34 -0.401 8.287 -3.746 1.00 0.00 O ATOM 0 H GLU A 34 -0.983 3.969 -1.659 1.00 0.00 H new ATOM 0 HA GLU A 34 1.402 5.208 -0.426 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.384 6.170 -1.093 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.482 6.943 0.195 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.114 7.825 -1.249 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.874 6.579 -2.458 1.00 0.00 H new ATOM 490 N VAL A 35 0.896 4.310 1.812 1.00 0.00 N ATOM 491 CA VAL A 35 0.635 3.828 3.164 1.00 0.00 C ATOM 492 C VAL A 35 0.172 4.962 4.072 1.00 0.00 C ATOM 493 O VAL A 35 0.916 5.909 4.328 1.00 0.00 O ATOM 494 CB VAL A 35 1.887 3.173 3.778 1.00 0.00 C ATOM 495 CG1 VAL A 35 1.557 2.550 5.126 1.00 0.00 C ATOM 496 CG2 VAL A 35 2.463 2.133 2.828 1.00 0.00 C ATOM 0 H VAL A 35 1.884 4.442 1.595 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.156 3.082 3.087 1.00 0.00 H new ATOM 0 HB VAL A 35 2.640 3.945 3.936 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.453 2.092 5.544 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.193 3.322 5.804 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.788 1.789 4.996 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.347 1.680 3.277 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.717 1.362 2.637 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.738 2.612 1.888 1.00 0.00 H new ATOM 506 N ILE A 36 -1.062 4.859 4.556 1.00 0.00 N ATOM 507 CA ILE A 36 -1.623 5.875 5.436 1.00 0.00 C ATOM 508 C ILE A 36 -1.312 5.569 6.898 1.00 0.00 C ATOM 509 O ILE A 36 -0.767 6.407 7.615 1.00 0.00 O ATOM 510 CB ILE A 36 -3.149 5.991 5.262 1.00 0.00 C ATOM 511 CG1 ILE A 36 -3.510 6.058 3.776 1.00 0.00 C ATOM 512 CG2 ILE A 36 -3.675 7.215 5.996 1.00 0.00 C ATOM 513 CD1 ILE A 36 -4.949 5.694 3.487 1.00 0.00 C ATOM 0 H ILE A 36 -1.691 4.082 4.353 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.161 6.822 5.158 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.617 5.106 5.692 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.318 7.066 3.409 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.855 5.386 3.221 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.755 7.283 5.863 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.445 7.129 7.058 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.203 8.111 5.594 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.134 5.763 2.415 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.141 4.675 3.823 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.611 6.381 4.014 1.00 0.00 H new ATOM 525 N ARG A 37 -1.661 4.362 7.331 1.00 0.00 N ATOM 526 CA ARG A 37 -1.419 3.945 8.706 1.00 0.00 C ATOM 527 C ARG A 37 -0.839 2.534 8.753 1.00 0.00 C ATOM 528 O ARG A 37 -1.550 1.551 8.538 1.00 0.00 O ATOM 529 CB ARG A 37 -2.716 4.001 9.515 1.00 0.00 C ATOM 530 CG ARG A 37 -3.223 5.413 9.757 1.00 0.00 C ATOM 531 CD ARG A 37 -2.457 6.095 10.880 1.00 0.00 C ATOM 532 NE ARG A 37 -2.963 5.714 12.196 1.00 0.00 N ATOM 533 CZ ARG A 37 -2.602 6.316 13.325 1.00 0.00 C ATOM 534 NH1 ARG A 37 -1.739 7.322 13.296 1.00 0.00 N ATOM 535 NH2 ARG A 37 -3.106 5.911 14.483 1.00 0.00 N ATOM 0 H ARG A 37 -2.112 3.656 6.749 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.695 4.632 9.144 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.485 3.433 8.992 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.556 3.512 10.476 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.126 5.997 8.842 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.284 5.382 10.005 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.401 5.835 10.808 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.528 7.176 10.763 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.630 4.944 12.252 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.351 7.635 12.406 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.463 7.783 14.163 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.771 5.138 14.507 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.829 6.373 15.349 1.00 0.00 H new ATOM 549 N LYS A 38 0.456 2.441 9.032 1.00 0.00 N ATOM 550 CA LYS A 38 1.133 1.151 9.107 1.00 0.00 C ATOM 551 C LYS A 38 1.157 0.632 10.542 1.00 0.00 C ATOM 552 O LYS A 38 1.501 1.363 11.470 1.00 0.00 O ATOM 553 CB LYS A 38 2.562 1.271 8.573 1.00 0.00 C ATOM 554 CG LYS A 38 3.398 2.311 9.297 1.00 0.00 C ATOM 555 CD LYS A 38 4.856 2.247 8.876 1.00 0.00 C ATOM 556 CE LYS A 38 5.101 3.027 7.593 1.00 0.00 C ATOM 557 NZ LYS A 38 6.549 3.297 7.376 1.00 0.00 N ATOM 0 H LYS A 38 1.059 3.244 9.210 1.00 0.00 H new ATOM 0 HA LYS A 38 0.580 0.441 8.492 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.054 0.302 8.654 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.525 1.521 7.513 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.002 3.305 9.090 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.322 2.155 10.373 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.484 2.648 9.672 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.149 1.207 8.732 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.705 2.466 6.746 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.557 3.971 7.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.677 3.801 6.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.914 3.882 8.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.069 2.397 7.347 1.00 0.00 H new ATOM 571 N ASN A 39 0.791 -0.634 10.714 1.00 0.00 N ATOM 572 CA ASN A 39 0.772 -1.251 12.034 1.00 0.00 C ATOM 573 C ASN A 39 2.006 -2.123 12.247 1.00 0.00 C ATOM 574 O ASN A 39 2.898 -2.172 11.398 1.00 0.00 O ATOM 575 CB ASN A 39 -0.495 -2.091 12.210 1.00 0.00 C ATOM 576 CG ASN A 39 -1.743 -1.236 12.325 1.00 0.00 C ATOM 577 OD1 ASN A 39 -1.682 -0.081 12.746 1.00 0.00 O ATOM 578 ND2 ASN A 39 -2.885 -1.803 11.951 1.00 0.00 N ATOM 0 H ASN A 39 0.504 -1.252 9.955 1.00 0.00 H new ATOM 0 HA ASN A 39 0.779 -0.455 12.778 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.599 -2.769 11.363 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.397 -2.709 13.103 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.758 -1.278 12.007 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.889 -2.764 11.608 1.00 0.00 H new ATOM 585 N LEU A 40 2.050 -2.809 13.382 1.00 0.00 N ATOM 586 CA LEU A 40 3.175 -3.680 13.706 1.00 0.00 C ATOM 587 C LEU A 40 3.177 -4.920 12.818 1.00 0.00 C ATOM 588 O LEU A 40 2.632 -5.961 13.188 1.00 0.00 O ATOM 589 CB LEU A 40 3.119 -4.094 15.178 1.00 0.00 C ATOM 590 CG LEU A 40 3.660 -3.075 16.182 1.00 0.00 C ATOM 591 CD1 LEU A 40 3.516 -3.597 17.603 1.00 0.00 C ATOM 592 CD2 LEU A 40 5.114 -2.747 15.878 1.00 0.00 C ATOM 0 H LEU A 40 1.320 -2.780 14.094 1.00 0.00 H new ATOM 0 HA LEU A 40 4.095 -3.124 13.526 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.082 -4.312 15.434 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.678 -5.022 15.295 1.00 0.00 H new ATOM 0 HG LEU A 40 3.075 -2.160 16.092 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.906 -2.858 18.303 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.463 -3.780 17.818 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.075 -4.527 17.707 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.482 -2.020 16.602 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.713 -3.656 15.939 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.191 -2.329 14.874 1.00 0.00 H new ATOM 604 N GLU A 41 3.793 -4.802 11.647 1.00 0.00 N ATOM 605 CA GLU A 41 3.865 -5.915 10.706 1.00 0.00 C ATOM 606 C GLU A 41 2.598 -6.763 10.768 1.00 0.00 C ATOM 607 O GLU A 41 2.661 -7.981 10.928 1.00 0.00 O ATOM 608 CB GLU A 41 5.089 -6.784 11.005 1.00 0.00 C ATOM 609 CG GLU A 41 6.390 -6.206 10.473 1.00 0.00 C ATOM 610 CD GLU A 41 7.596 -7.049 10.843 1.00 0.00 C ATOM 611 OE1 GLU A 41 7.705 -7.445 12.021 1.00 0.00 O ATOM 612 OE2 GLU A 41 8.431 -7.311 9.951 1.00 0.00 O ATOM 0 H GLU A 41 4.249 -3.948 11.326 1.00 0.00 H new ATOM 0 HA GLU A 41 3.956 -5.503 9.701 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.175 -6.918 12.083 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.937 -7.773 10.572 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.329 -6.122 9.388 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.522 -5.197 10.864 1.00 0.00 H new ATOM 619 N GLY A 42 1.448 -6.108 10.641 1.00 0.00 N ATOM 620 CA GLY A 42 0.183 -6.817 10.686 1.00 0.00 C ATOM 621 C GLY A 42 -0.812 -6.292 9.669 1.00 0.00 C ATOM 622 O GLY A 42 -1.201 -7.008 8.746 1.00 0.00 O ATOM 0 H GLY A 42 1.370 -5.100 10.508 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.358 -7.878 10.505 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.243 -6.730 11.685 1.00 0.00 H new ATOM 626 N TRP A 43 -1.223 -5.041 9.838 1.00 0.00 N ATOM 627 CA TRP A 43 -2.180 -4.422 8.927 1.00 0.00 C ATOM 628 C TRP A 43 -1.754 -3.001 8.574 1.00 0.00 C ATOM 629 O TRP A 43 -1.807 -2.101 9.411 1.00 0.00 O ATOM 630 CB TRP A 43 -3.576 -4.408 9.554 1.00 0.00 C ATOM 631 CG TRP A 43 -4.363 -5.653 9.278 1.00 0.00 C ATOM 632 CD1 TRP A 43 -4.769 -6.585 10.190 1.00 0.00 C ATOM 633 CD2 TRP A 43 -4.838 -6.102 8.004 1.00 0.00 C ATOM 634 NE1 TRP A 43 -5.467 -7.586 9.560 1.00 0.00 N ATOM 635 CE2 TRP A 43 -5.525 -7.313 8.218 1.00 0.00 C ATOM 636 CE3 TRP A 43 -4.752 -5.598 6.704 1.00 0.00 C ATOM 637 CZ2 TRP A 43 -6.118 -8.026 7.180 1.00 0.00 C ATOM 638 CZ3 TRP A 43 -5.341 -6.306 5.674 1.00 0.00 C ATOM 639 CH2 TRP A 43 -6.018 -7.509 5.917 1.00 0.00 C ATOM 0 H TRP A 43 -0.909 -4.435 10.596 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.206 -5.012 8.011 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.481 -4.278 10.632 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.127 -3.547 9.177 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.570 -6.541 11.251 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.876 -8.401 10.017 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.234 -4.671 6.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -6.638 -8.954 7.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.279 -5.926 4.665 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -6.470 -8.038 5.091 1.00 0.00 H new ATOM 650 N TRP A 44 -1.333 -2.808 7.329 1.00 0.00 N ATOM 651 CA TRP A 44 -0.898 -1.496 6.865 1.00 0.00 C ATOM 652 C TRP A 44 -1.936 -0.874 5.938 1.00 0.00 C ATOM 653 O TRP A 44 -2.061 -1.268 4.777 1.00 0.00 O ATOM 654 CB TRP A 44 0.447 -1.606 6.144 1.00 0.00 C ATOM 655 CG TRP A 44 1.588 -1.925 7.062 1.00 0.00 C ATOM 656 CD1 TRP A 44 1.515 -2.553 8.272 1.00 0.00 C ATOM 657 CD2 TRP A 44 2.972 -1.630 6.843 1.00 0.00 C ATOM 658 NE1 TRP A 44 2.771 -2.666 8.819 1.00 0.00 N ATOM 659 CE2 TRP A 44 3.682 -2.109 7.962 1.00 0.00 C ATOM 660 CE3 TRP A 44 3.681 -1.011 5.810 1.00 0.00 C ATOM 661 CZ2 TRP A 44 5.065 -1.985 8.074 1.00 0.00 C ATOM 662 CZ3 TRP A 44 5.052 -0.889 5.924 1.00 0.00 C ATOM 663 CH2 TRP A 44 5.732 -1.374 7.048 1.00 0.00 C ATOM 0 H TRP A 44 -1.284 -3.543 6.623 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.783 -0.851 7.736 1.00 0.00 H new ATOM 0 HB2 TRP A 44 0.379 -2.379 5.379 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.654 -0.667 5.631 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.605 -2.909 8.732 1.00 0.00 H new ATOM 0 HE1 TRP A 44 2.989 -3.095 9.718 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.166 -0.635 4.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.592 -2.358 8.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.610 -0.411 5.132 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.805 -1.263 7.106 1.00 0.00 H new ATOM 674 N TYR A 45 -2.679 0.098 6.455 1.00 0.00 N ATOM 675 CA TYR A 45 -3.708 0.772 5.672 1.00 0.00 C ATOM 676 C TYR A 45 -3.094 1.518 4.492 1.00 0.00 C ATOM 677 O TYR A 45 -2.343 2.477 4.672 1.00 0.00 O ATOM 678 CB TYR A 45 -4.492 1.746 6.554 1.00 0.00 C ATOM 679 CG TYR A 45 -5.910 1.981 6.085 1.00 0.00 C ATOM 680 CD1 TYR A 45 -6.819 0.933 6.008 1.00 0.00 C ATOM 681 CD2 TYR A 45 -6.340 3.250 5.718 1.00 0.00 C ATOM 682 CE1 TYR A 45 -8.116 1.144 5.579 1.00 0.00 C ATOM 683 CE2 TYR A 45 -7.634 3.469 5.289 1.00 0.00 C ATOM 684 CZ TYR A 45 -8.518 2.413 5.221 1.00 0.00 C ATOM 685 OH TYR A 45 -9.809 2.626 4.795 1.00 0.00 O ATOM 0 H TYR A 45 -2.588 0.437 7.413 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.389 0.014 5.284 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.515 1.362 7.574 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.966 2.700 6.584 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.507 -0.062 6.288 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.650 4.079 5.769 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.811 0.319 5.525 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.952 4.462 5.008 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.931 3.575 4.582 1.00 0.00 H new ATOM 695 N ILE A 46 -3.419 1.070 3.283 1.00 0.00 N ATOM 696 CA ILE A 46 -2.902 1.695 2.073 1.00 0.00 C ATOM 697 C ILE A 46 -4.036 2.133 1.153 1.00 0.00 C ATOM 698 O ILE A 46 -5.169 1.670 1.284 1.00 0.00 O ATOM 699 CB ILE A 46 -1.970 0.742 1.302 1.00 0.00 C ATOM 700 CG1 ILE A 46 -2.751 -0.472 0.795 1.00 0.00 C ATOM 701 CG2 ILE A 46 -0.812 0.303 2.185 1.00 0.00 C ATOM 702 CD1 ILE A 46 -2.058 -1.211 -0.328 1.00 0.00 C ATOM 0 H ILE A 46 -4.038 0.277 3.117 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.334 2.570 2.388 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.563 1.274 0.442 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.916 -1.160 1.624 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.733 -0.145 0.452 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.163 -0.370 1.625 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.243 1.178 2.500 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.200 -0.213 3.063 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.669 -2.059 -0.637 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.917 -0.538 -1.174 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.088 -1.569 0.016 1.00 0.00 H new ATOM 714 N ARG A 47 -3.723 3.027 0.221 1.00 0.00 N ATOM 715 CA ARG A 47 -4.716 3.528 -0.722 1.00 0.00 C ATOM 716 C ARG A 47 -4.287 3.252 -2.161 1.00 0.00 C ATOM 717 O ARG A 47 -3.177 3.598 -2.565 1.00 0.00 O ATOM 718 CB ARG A 47 -4.929 5.029 -0.521 1.00 0.00 C ATOM 719 CG ARG A 47 -5.355 5.758 -1.785 1.00 0.00 C ATOM 720 CD ARG A 47 -5.921 7.134 -1.472 1.00 0.00 C ATOM 721 NE ARG A 47 -4.873 8.145 -1.356 1.00 0.00 N ATOM 722 CZ ARG A 47 -4.191 8.372 -0.239 1.00 0.00 C ATOM 723 NH1 ARG A 47 -4.446 7.665 0.853 1.00 0.00 N ATOM 724 NH2 ARG A 47 -3.251 9.310 -0.213 1.00 0.00 N ATOM 0 H ARG A 47 -2.790 3.419 0.099 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.655 3.006 -0.534 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.686 5.180 0.248 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.005 5.472 -0.150 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.500 5.859 -2.454 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.104 5.167 -2.312 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.620 7.425 -2.256 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.486 7.090 -0.541 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.653 8.708 -2.178 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.168 6.944 0.837 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.921 7.842 1.709 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.053 9.856 -1.051 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.728 9.484 0.645 1.00 0.00 H new ATOM 738 N TYR A 48 -5.174 2.627 -2.926 1.00 0.00 N ATOM 739 CA TYR A 48 -4.887 2.302 -4.319 1.00 0.00 C ATOM 740 C TYR A 48 -6.098 2.583 -5.205 1.00 0.00 C ATOM 741 O TYR A 48 -7.223 2.203 -4.877 1.00 0.00 O ATOM 742 CB TYR A 48 -4.476 0.834 -4.447 1.00 0.00 C ATOM 743 CG TYR A 48 -4.505 0.320 -5.869 1.00 0.00 C ATOM 744 CD1 TYR A 48 -3.758 0.935 -6.866 1.00 0.00 C ATOM 745 CD2 TYR A 48 -5.278 -0.782 -6.214 1.00 0.00 C ATOM 746 CE1 TYR A 48 -3.783 0.469 -8.167 1.00 0.00 C ATOM 747 CE2 TYR A 48 -5.306 -1.256 -7.511 1.00 0.00 C ATOM 748 CZ TYR A 48 -4.557 -0.627 -8.483 1.00 0.00 C ATOM 749 OH TYR A 48 -4.582 -1.096 -9.778 1.00 0.00 O ATOM 0 H TYR A 48 -6.097 2.335 -2.606 1.00 0.00 H new ATOM 0 HA TYR A 48 -4.063 2.933 -4.651 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.470 0.710 -4.045 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.141 0.224 -3.835 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.148 1.791 -6.620 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.867 -1.276 -5.455 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.200 0.961 -8.931 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.911 -2.114 -7.762 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.175 -1.874 -9.833 1.00 0.00 H new ATOM 759 N LEU A 49 -5.858 3.250 -6.328 1.00 0.00 N ATOM 760 CA LEU A 49 -6.927 3.582 -7.264 1.00 0.00 C ATOM 761 C LEU A 49 -7.956 4.500 -6.610 1.00 0.00 C ATOM 762 O LEU A 49 -9.150 4.411 -6.895 1.00 0.00 O ATOM 763 CB LEU A 49 -7.607 2.307 -7.764 1.00 0.00 C ATOM 764 CG LEU A 49 -6.974 1.644 -8.987 1.00 0.00 C ATOM 765 CD1 LEU A 49 -7.665 0.325 -9.298 1.00 0.00 C ATOM 766 CD2 LEU A 49 -7.032 2.574 -10.190 1.00 0.00 C ATOM 0 H LEU A 49 -4.933 3.572 -6.613 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.486 4.107 -8.112 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.620 1.583 -6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.645 2.541 -7.999 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.927 1.439 -8.762 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.200 -0.132 -10.172 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.570 -0.346 -8.444 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.720 0.506 -9.501 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.577 2.084 -11.051 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.071 2.812 -10.416 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.490 3.493 -9.966 1.00 0.00 H new ATOM 778 N GLY A 50 -7.484 5.382 -5.735 1.00 0.00 N ATOM 779 CA GLY A 50 -8.377 6.305 -5.058 1.00 0.00 C ATOM 780 C GLY A 50 -9.304 5.604 -4.084 1.00 0.00 C ATOM 781 O GLY A 50 -10.436 6.037 -3.871 1.00 0.00 O ATOM 0 H GLY A 50 -6.500 5.474 -5.483 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.788 7.049 -4.523 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.971 6.841 -5.799 1.00 0.00 H new ATOM 785 N LYS A 51 -8.823 4.516 -3.490 1.00 0.00 N ATOM 786 CA LYS A 51 -9.616 3.753 -2.533 1.00 0.00 C ATOM 787 C LYS A 51 -8.763 3.314 -1.348 1.00 0.00 C ATOM 788 O LYS A 51 -7.674 2.768 -1.525 1.00 0.00 O ATOM 789 CB LYS A 51 -10.234 2.529 -3.213 1.00 0.00 C ATOM 790 CG LYS A 51 -11.452 1.983 -2.489 1.00 0.00 C ATOM 791 CD LYS A 51 -12.389 1.259 -3.442 1.00 0.00 C ATOM 792 CE LYS A 51 -11.990 -0.198 -3.616 1.00 0.00 C ATOM 793 NZ LYS A 51 -12.339 -1.015 -2.420 1.00 0.00 N ATOM 0 H LYS A 51 -7.888 4.143 -3.655 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.414 4.397 -2.164 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.516 2.793 -4.232 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.481 1.744 -3.284 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.133 1.300 -1.702 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.985 2.801 -2.004 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -13.410 1.315 -3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.381 1.758 -4.411 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.488 -0.609 -4.494 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.917 -0.262 -3.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.275 -2.025 -2.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.678 -0.799 -1.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.309 -0.792 -2.118 1.00 0.00 H new ATOM 807 N GLU A 52 -9.266 3.553 -0.141 1.00 0.00 N ATOM 808 CA GLU A 52 -8.548 3.179 1.073 1.00 0.00 C ATOM 809 C GLU A 52 -9.076 1.862 1.633 1.00 0.00 C ATOM 810 O GLU A 52 -10.276 1.707 1.857 1.00 0.00 O ATOM 811 CB GLU A 52 -8.675 4.282 2.126 1.00 0.00 C ATOM 812 CG GLU A 52 -8.282 5.659 1.617 1.00 0.00 C ATOM 813 CD GLU A 52 -8.981 6.778 2.362 1.00 0.00 C ATOM 814 OE1 GLU A 52 -10.217 6.701 2.525 1.00 0.00 O ATOM 815 OE2 GLU A 52 -8.292 7.731 2.785 1.00 0.00 O ATOM 0 H GLU A 52 -10.167 4.003 0.023 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.496 3.049 0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.705 4.316 2.482 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.050 4.029 2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.203 5.783 1.712 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.519 5.731 0.555 1.00 0.00 H new ATOM 822 N GLY A 53 -8.170 0.915 1.857 1.00 0.00 N ATOM 823 CA GLY A 53 -8.563 -0.376 2.389 1.00 0.00 C ATOM 824 C GLY A 53 -7.482 -1.002 3.249 1.00 0.00 C ATOM 825 O GLY A 53 -6.395 -0.444 3.393 1.00 0.00 O ATOM 0 H GLY A 53 -7.171 1.019 1.679 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.472 -0.261 2.980 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.802 -1.048 1.565 1.00 0.00 H new ATOM 829 N TRP A 54 -7.784 -2.160 3.824 1.00 0.00 N ATOM 830 CA TRP A 54 -6.831 -2.861 4.677 1.00 0.00 C ATOM 831 C TRP A 54 -5.955 -3.802 3.857 1.00 0.00 C ATOM 832 O TRP A 54 -6.458 -4.648 3.119 1.00 0.00 O ATOM 833 CB TRP A 54 -7.568 -3.647 5.762 1.00 0.00 C ATOM 834 CG TRP A 54 -7.892 -2.826 6.974 1.00 0.00 C ATOM 835 CD1 TRP A 54 -9.134 -2.559 7.474 1.00 0.00 C ATOM 836 CD2 TRP A 54 -6.959 -2.165 7.836 1.00 0.00 C ATOM 837 NE1 TRP A 54 -9.030 -1.771 8.595 1.00 0.00 N ATOM 838 CE2 TRP A 54 -7.707 -1.517 8.838 1.00 0.00 C ATOM 839 CE3 TRP A 54 -5.566 -2.060 7.859 1.00 0.00 C ATOM 840 CZ2 TRP A 54 -7.105 -0.774 9.851 1.00 0.00 C ATOM 841 CZ3 TRP A 54 -4.971 -1.322 8.865 1.00 0.00 C ATOM 842 CH2 TRP A 54 -5.740 -0.687 9.850 1.00 0.00 C ATOM 0 H TRP A 54 -8.681 -2.634 3.715 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.190 -2.117 5.149 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -8.492 -4.048 5.346 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -6.958 -4.499 6.062 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -10.062 -2.915 7.051 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.812 -1.431 9.155 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.965 -2.546 7.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.696 -0.284 10.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.895 -1.233 8.893 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -5.245 -0.118 10.623 1.00 0.00 H new ATOM 853 N ALA A 55 -4.641 -3.648 3.990 1.00 0.00 N ATOM 854 CA ALA A 55 -3.696 -4.486 3.264 1.00 0.00 C ATOM 855 C ALA A 55 -2.601 -5.007 4.187 1.00 0.00 C ATOM 856 O ALA A 55 -2.164 -4.328 5.116 1.00 0.00 O ATOM 857 CB ALA A 55 -3.086 -3.710 2.105 1.00 0.00 C ATOM 0 H ALA A 55 -4.208 -2.950 4.594 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.239 -5.344 2.868 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.382 -4.348 1.571 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.876 -3.392 1.424 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.563 -2.834 2.489 1.00 0.00 H new ATOM 863 N PRO A 56 -2.147 -6.243 3.929 1.00 0.00 N ATOM 864 CA PRO A 56 -1.097 -6.883 4.727 1.00 0.00 C ATOM 865 C PRO A 56 0.267 -6.232 4.520 1.00 0.00 C ATOM 866 O PRO A 56 0.576 -5.749 3.431 1.00 0.00 O ATOM 867 CB PRO A 56 -1.086 -8.323 4.209 1.00 0.00 C ATOM 868 CG PRO A 56 -1.621 -8.231 2.821 1.00 0.00 C ATOM 869 CD PRO A 56 -2.623 -7.110 2.838 1.00 0.00 C ATOM 0 HA PRO A 56 -1.291 -6.802 5.796 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.079 -8.739 4.218 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.704 -8.972 4.829 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.822 -8.030 2.107 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.089 -9.168 2.520 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.649 -6.580 1.886 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.632 -7.476 3.027 1.00 0.00 H new ATOM 877 N ALA A 57 1.079 -6.224 5.572 1.00 0.00 N ATOM 878 CA ALA A 57 2.411 -5.634 5.504 1.00 0.00 C ATOM 879 C ALA A 57 3.424 -6.629 4.949 1.00 0.00 C ATOM 880 O ALA A 57 4.624 -6.512 5.195 1.00 0.00 O ATOM 881 CB ALA A 57 2.844 -5.150 6.879 1.00 0.00 C ATOM 0 H ALA A 57 0.838 -6.619 6.481 1.00 0.00 H new ATOM 0 HA ALA A 57 2.370 -4.781 4.827 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.840 -4.712 6.814 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.140 -4.399 7.239 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.863 -5.991 7.572 1.00 0.00 H new ATOM 887 N SER A 58 2.932 -7.610 4.198 1.00 0.00 N ATOM 888 CA SER A 58 3.795 -8.630 3.611 1.00 0.00 C ATOM 889 C SER A 58 3.834 -8.499 2.092 1.00 0.00 C ATOM 890 O SER A 58 4.825 -8.851 1.453 1.00 0.00 O ATOM 891 CB SER A 58 3.308 -10.026 4.003 1.00 0.00 C ATOM 892 OG SER A 58 3.349 -10.205 5.408 1.00 0.00 O ATOM 0 H SER A 58 1.941 -7.720 3.982 1.00 0.00 H new ATOM 0 HA SER A 58 4.804 -8.484 3.996 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.289 -10.173 3.644 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.929 -10.780 3.519 1.00 0.00 H new ATOM 0 HG SER A 58 3.031 -11.104 5.633 1.00 0.00 H new ATOM 898 N TYR A 59 2.748 -7.992 1.521 1.00 0.00 N ATOM 899 CA TYR A 59 2.655 -7.817 0.076 1.00 0.00 C ATOM 900 C TYR A 59 3.022 -6.392 -0.326 1.00 0.00 C ATOM 901 O TYR A 59 2.575 -5.890 -1.358 1.00 0.00 O ATOM 902 CB TYR A 59 1.243 -8.148 -0.409 1.00 0.00 C ATOM 903 CG TYR A 59 0.926 -9.626 -0.392 1.00 0.00 C ATOM 904 CD1 TYR A 59 0.893 -10.335 0.804 1.00 0.00 C ATOM 905 CD2 TYR A 59 0.663 -10.315 -1.569 1.00 0.00 C ATOM 906 CE1 TYR A 59 0.606 -11.686 0.824 1.00 0.00 C ATOM 907 CE2 TYR A 59 0.373 -11.666 -1.557 1.00 0.00 C ATOM 908 CZ TYR A 59 0.345 -12.347 -0.358 1.00 0.00 C ATOM 909 OH TYR A 59 0.059 -13.692 -0.342 1.00 0.00 O ATOM 0 H TYR A 59 1.919 -7.695 2.036 1.00 0.00 H new ATOM 0 HA TYR A 59 3.363 -8.501 -0.393 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.521 -7.623 0.217 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.119 -7.770 -1.424 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.095 -9.821 1.732 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.686 -9.786 -2.510 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.586 -12.222 1.761 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.169 -12.186 -2.482 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.101 -14.003 -1.257 1.00 0.00 H new ATOM 919 N LEU A 60 3.839 -5.745 0.498 1.00 0.00 N ATOM 920 CA LEU A 60 4.269 -4.376 0.231 1.00 0.00 C ATOM 921 C LEU A 60 5.739 -4.187 0.589 1.00 0.00 C ATOM 922 O LEU A 60 6.218 -4.714 1.594 1.00 0.00 O ATOM 923 CB LEU A 60 3.409 -3.388 1.020 1.00 0.00 C ATOM 924 CG LEU A 60 1.896 -3.529 0.849 1.00 0.00 C ATOM 925 CD1 LEU A 60 1.162 -2.766 1.941 1.00 0.00 C ATOM 926 CD2 LEU A 60 1.467 -3.040 -0.526 1.00 0.00 C ATOM 0 H LEU A 60 4.217 -6.146 1.356 1.00 0.00 H new ATOM 0 HA LEU A 60 4.147 -4.184 -0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.646 -3.495 2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.694 -2.377 0.730 1.00 0.00 H new ATOM 0 HG LEU A 60 1.637 -4.584 0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.087 -2.878 1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.446 -3.163 2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.427 -1.710 1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.387 -3.148 -0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.740 -1.991 -0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.966 -3.630 -1.294 1.00 0.00 H new ATOM 938 N LYS A 61 6.451 -3.430 -0.238 1.00 0.00 N ATOM 939 CA LYS A 61 7.868 -3.167 -0.008 1.00 0.00 C ATOM 940 C LYS A 61 8.174 -1.679 -0.146 1.00 0.00 C ATOM 941 O LYS A 61 7.751 -1.034 -1.106 1.00 0.00 O ATOM 942 CB LYS A 61 8.722 -3.968 -0.993 1.00 0.00 C ATOM 943 CG LYS A 61 8.653 -3.452 -2.420 1.00 0.00 C ATOM 944 CD LYS A 61 9.604 -4.207 -3.333 1.00 0.00 C ATOM 945 CE LYS A 61 9.838 -3.458 -4.636 1.00 0.00 C ATOM 946 NZ LYS A 61 10.761 -2.305 -4.454 1.00 0.00 N ATOM 0 H LYS A 61 6.071 -2.987 -1.074 1.00 0.00 H new ATOM 0 HA LYS A 61 8.110 -3.477 1.009 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.759 -3.950 -0.659 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.400 -5.009 -0.976 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.634 -3.550 -2.794 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.898 -2.390 -2.436 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.556 -4.359 -2.823 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.196 -5.195 -3.548 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.252 -4.141 -5.378 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.885 -3.102 -5.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.016 -1.914 -5.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.292 -1.571 -3.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.622 -2.623 -3.965 1.00 0.00 H new ATOM 960 N LYS A 62 8.912 -1.140 0.817 1.00 0.00 N ATOM 961 CA LYS A 62 9.279 0.271 0.802 1.00 0.00 C ATOM 962 C LYS A 62 9.933 0.649 -0.522 1.00 0.00 C ATOM 963 O LYS A 62 10.936 0.058 -0.921 1.00 0.00 O ATOM 964 CB LYS A 62 10.229 0.585 1.960 1.00 0.00 C ATOM 965 CG LYS A 62 10.216 2.045 2.379 1.00 0.00 C ATOM 966 CD LYS A 62 11.316 2.347 3.382 1.00 0.00 C ATOM 967 CE LYS A 62 10.960 3.536 4.260 1.00 0.00 C ATOM 968 NZ LYS A 62 10.947 4.811 3.490 1.00 0.00 N ATOM 0 H LYS A 62 9.269 -1.659 1.619 1.00 0.00 H new ATOM 0 HA LYS A 62 8.368 0.858 0.918 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.960 -0.033 2.817 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.243 0.307 1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.340 2.678 1.500 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.248 2.291 2.815 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.490 1.471 4.007 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.247 2.550 2.852 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.981 3.374 4.711 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.678 3.612 5.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.208 5.598 4.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.630 4.751 2.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.994 4.975 3.106 1.00 0.00 H new ATOM 982 N ALA A 63 9.361 1.640 -1.199 1.00 0.00 N ATOM 983 CA ALA A 63 9.891 2.098 -2.477 1.00 0.00 C ATOM 984 C ALA A 63 11.195 2.865 -2.287 1.00 0.00 C ATOM 985 O ALA A 63 12.106 2.776 -3.111 1.00 0.00 O ATOM 986 CB ALA A 63 8.866 2.966 -3.192 1.00 0.00 C ATOM 0 H ALA A 63 8.530 2.141 -0.883 1.00 0.00 H new ATOM 0 HA ALA A 63 10.101 1.222 -3.090 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.275 3.301 -4.145 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.960 2.387 -3.369 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.628 3.832 -2.574 1.00 0.00 H new ATOM 992 N LYS A 64 11.279 3.618 -1.195 1.00 0.00 N ATOM 993 CA LYS A 64 12.473 4.401 -0.895 1.00 0.00 C ATOM 994 C LYS A 64 13.178 3.863 0.345 1.00 0.00 C ATOM 995 O LYS A 64 12.924 4.316 1.461 1.00 0.00 O ATOM 996 CB LYS A 64 12.104 5.872 -0.688 1.00 0.00 C ATOM 997 CG LYS A 64 10.706 6.076 -0.130 1.00 0.00 C ATOM 998 CD LYS A 64 9.669 6.152 -1.238 1.00 0.00 C ATOM 999 CE LYS A 64 9.511 7.574 -1.756 1.00 0.00 C ATOM 1000 NZ LYS A 64 8.612 7.635 -2.941 1.00 0.00 N ATOM 0 H LYS A 64 10.535 3.703 -0.503 1.00 0.00 H new ATOM 0 HA LYS A 64 13.154 4.319 -1.742 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.826 6.327 -0.011 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.186 6.396 -1.640 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.459 5.256 0.545 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.678 6.993 0.459 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.961 5.495 -2.057 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.710 5.790 -0.866 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.111 8.207 -0.964 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.489 7.975 -2.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.888 8.435 -3.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.690 6.750 -3.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.629 7.762 -2.625 1.00 0.00 H new ATOM 1014 N ASP A 65 14.067 2.896 0.142 1.00 0.00 N ATOM 1015 CA ASP A 65 14.811 2.298 1.245 1.00 0.00 C ATOM 1016 C ASP A 65 15.481 3.373 2.094 1.00 0.00 C ATOM 1017 O ASP A 65 16.519 3.919 1.718 1.00 0.00 O ATOM 1018 CB ASP A 65 15.863 1.326 0.709 1.00 0.00 C ATOM 1019 CG ASP A 65 16.984 2.031 -0.029 1.00 0.00 C ATOM 1020 OD1 ASP A 65 16.683 2.845 -0.927 1.00 0.00 O ATOM 1021 OD2 ASP A 65 18.162 1.772 0.294 1.00 0.00 O ATOM 0 H ASP A 65 14.290 2.510 -0.775 1.00 0.00 H new ATOM 0 HA ASP A 65 14.107 1.751 1.872 1.00 0.00 H new ATOM 0 HB2 ASP A 65 16.281 0.755 1.538 1.00 0.00 H new ATOM 0 HB3 ASP A 65 15.385 0.611 0.039 1.00 0.00 H new ATOM 1026 N SER A 66 14.880 3.675 3.241 1.00 0.00 N ATOM 1027 CA SER A 66 15.416 4.688 4.141 1.00 0.00 C ATOM 1028 C SER A 66 16.937 4.601 4.214 1.00 0.00 C ATOM 1029 O SER A 66 17.632 5.612 4.126 1.00 0.00 O ATOM 1030 CB SER A 66 14.817 4.525 5.539 1.00 0.00 C ATOM 1031 OG SER A 66 15.018 5.692 6.319 1.00 0.00 O ATOM 0 H SER A 66 14.021 3.232 3.568 1.00 0.00 H new ATOM 0 HA SER A 66 15.145 5.668 3.748 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.750 4.316 5.459 1.00 0.00 H new ATOM 0 HB3 SER A 66 15.273 3.669 6.036 1.00 0.00 H new ATOM 0 HG SER A 66 14.625 5.563 7.207 1.00 0.00 H new ATOM 1037 N GLY A 67 17.447 3.384 4.374 1.00 0.00 N ATOM 1038 CA GLY A 67 18.883 3.187 4.456 1.00 0.00 C ATOM 1039 C GLY A 67 19.603 3.643 3.202 1.00 0.00 C ATOM 1040 O GLY A 67 19.018 4.265 2.316 1.00 0.00 O ATOM 0 H GLY A 67 16.892 2.531 4.448 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.273 3.734 5.314 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.093 2.131 4.628 1.00 0.00 H new ATOM 1044 N PRO A 68 20.906 3.334 3.118 1.00 0.00 N ATOM 1045 CA PRO A 68 21.736 3.709 1.969 1.00 0.00 C ATOM 1046 C PRO A 68 21.369 2.929 0.711 1.00 0.00 C ATOM 1047 O PRO A 68 21.194 1.712 0.752 1.00 0.00 O ATOM 1048 CB PRO A 68 23.153 3.352 2.424 1.00 0.00 C ATOM 1049 CG PRO A 68 22.966 2.283 3.444 1.00 0.00 C ATOM 1050 CD PRO A 68 21.669 2.595 4.138 1.00 0.00 C ATOM 0 HA PRO A 68 21.611 4.758 1.701 1.00 0.00 H new ATOM 0 HB2 PRO A 68 23.760 3.001 1.589 1.00 0.00 H new ATOM 0 HB3 PRO A 68 23.663 4.218 2.847 1.00 0.00 H new ATOM 0 HG2 PRO A 68 22.931 1.299 2.976 1.00 0.00 H new ATOM 0 HG3 PRO A 68 23.794 2.270 4.152 1.00 0.00 H new ATOM 0 HD2 PRO A 68 21.151 1.688 4.448 1.00 0.00 H new ATOM 0 HD3 PRO A 68 21.827 3.195 5.035 1.00 0.00 H new ATOM 1058 N SER A 69 21.252 3.640 -0.407 1.00 0.00 N ATOM 1059 CA SER A 69 20.903 3.016 -1.677 1.00 0.00 C ATOM 1060 C SER A 69 21.790 1.805 -1.949 1.00 0.00 C ATOM 1061 O SER A 69 22.716 1.516 -1.190 1.00 0.00 O ATOM 1062 CB SER A 69 21.034 4.025 -2.819 1.00 0.00 C ATOM 1063 OG SER A 69 20.200 5.150 -2.603 1.00 0.00 O ATOM 0 H SER A 69 21.394 4.649 -0.458 1.00 0.00 H new ATOM 0 HA SER A 69 19.868 2.680 -1.616 1.00 0.00 H new ATOM 0 HB2 SER A 69 22.071 4.349 -2.906 1.00 0.00 H new ATOM 0 HB3 SER A 69 20.769 3.548 -3.762 1.00 0.00 H new ATOM 0 HG SER A 69 20.303 5.781 -3.346 1.00 0.00 H new ATOM 1069 N SER A 70 21.500 1.100 -3.038 1.00 0.00 N ATOM 1070 CA SER A 70 22.269 -0.083 -3.410 1.00 0.00 C ATOM 1071 C SER A 70 22.685 -0.022 -4.876 1.00 0.00 C ATOM 1072 O SER A 70 21.843 0.054 -5.770 1.00 0.00 O ATOM 1073 CB SER A 70 21.449 -1.350 -3.153 1.00 0.00 C ATOM 1074 OG SER A 70 20.238 -1.332 -3.888 1.00 0.00 O ATOM 0 H SER A 70 20.739 1.327 -3.678 1.00 0.00 H new ATOM 0 HA SER A 70 23.169 -0.109 -2.796 1.00 0.00 H new ATOM 0 HB2 SER A 70 22.033 -2.227 -3.430 1.00 0.00 H new ATOM 0 HB3 SER A 70 21.231 -1.436 -2.089 1.00 0.00 H new ATOM 0 HG SER A 70 20.379 -0.869 -4.740 1.00 0.00 H new ATOM 1080 N GLY A 71 23.993 -0.055 -5.115 1.00 0.00 N ATOM 1081 CA GLY A 71 24.499 -0.001 -6.473 1.00 0.00 C ATOM 1082 C GLY A 71 25.725 0.881 -6.601 1.00 0.00 C ATOM 1083 O GLY A 71 26.770 0.439 -7.079 1.00 0.00 O ATOM 0 H GLY A 71 24.710 -0.118 -4.392 1.00 0.00 H new ATOM 0 HA2 GLY A 71 24.744 -1.009 -6.806 1.00 0.00 H new ATOM 0 HA3 GLY A 71 23.717 0.372 -7.134 1.00 0.00 H new TER 1087 GLY A 71