USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 514 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 9 LYS NZ :NH3+ 165:sc= 0.294 (180deg=0.24) USER MOD Set 1.2: A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 170:sc= -0.878 USER MOD Single : A 6 SER OG : rot -49:sc= 0.651 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 14:sc= -0.375 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.191 X(o=-0.19,f=-0.014) USER MOD Single : A 23 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.041) USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 56:sc= -3.41 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.046) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.285 K(o=-0.28,f=-1.3) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 54:sc= 1.1 USER MOD Single : A 59 ASN : amide:sc= -3.04 X(o=-3,f=-2.5!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -130:sc= 0.355 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 53.151 25.881 6.589 1.00 0.00 N ATOM 2 CA GLY A 1 52.941 24.987 5.416 1.00 0.00 C ATOM 3 C GLY A 1 51.952 25.638 4.447 1.00 0.00 C ATOM 4 O GLY A 1 50.892 26.087 4.841 1.00 0.00 O ATOM 0 H1 GLY A 1 53.823 25.438 7.247 1.00 0.00 H new ATOM 0 H2 GLY A 1 53.532 26.793 6.266 1.00 0.00 H new ATOM 0 H3 GLY A 1 52.244 26.037 7.073 1.00 0.00 H new ATOM 0 HA2 GLY A 1 53.890 24.801 4.913 1.00 0.00 H new ATOM 0 HA3 GLY A 1 52.560 24.020 5.746 1.00 0.00 H new ATOM 10 N SER A 2 52.292 25.691 3.185 1.00 0.00 N ATOM 11 CA SER A 2 51.378 26.311 2.181 1.00 0.00 C ATOM 12 C SER A 2 50.847 25.248 1.217 1.00 0.00 C ATOM 13 O SER A 2 49.760 25.369 0.683 1.00 0.00 O ATOM 14 CB SER A 2 52.240 27.328 1.434 1.00 0.00 C ATOM 15 OG SER A 2 51.403 28.179 0.663 1.00 0.00 O ATOM 0 H SER A 2 53.167 25.330 2.806 1.00 0.00 H new ATOM 0 HA SER A 2 50.510 26.776 2.648 1.00 0.00 H new ATOM 0 HB2 SER A 2 52.823 27.917 2.142 1.00 0.00 H new ATOM 0 HB3 SER A 2 52.950 26.814 0.786 1.00 0.00 H new ATOM 0 HG SER A 2 51.954 28.833 0.184 1.00 0.00 H new ATOM 21 N MET A 3 51.608 24.207 0.992 1.00 0.00 N ATOM 22 CA MET A 3 51.157 23.128 0.061 1.00 0.00 C ATOM 23 C MET A 3 50.295 22.110 0.810 1.00 0.00 C ATOM 24 O MET A 3 49.389 21.520 0.251 1.00 0.00 O ATOM 25 CB MET A 3 52.446 22.475 -0.441 1.00 0.00 C ATOM 26 CG MET A 3 53.146 23.415 -1.423 1.00 0.00 C ATOM 27 SD MET A 3 54.913 23.024 -1.475 1.00 0.00 S ATOM 28 CE MET A 3 55.483 24.634 -2.074 1.00 0.00 C ATOM 0 H MET A 3 52.525 24.057 1.414 1.00 0.00 H new ATOM 0 HA MET A 3 50.550 23.515 -0.758 1.00 0.00 H new ATOM 0 HB2 MET A 3 53.105 22.253 0.399 1.00 0.00 H new ATOM 0 HB3 MET A 3 52.220 21.526 -0.928 1.00 0.00 H new ATOM 0 HG2 MET A 3 52.710 23.311 -2.417 1.00 0.00 H new ATOM 0 HG3 MET A 3 53.001 24.451 -1.118 1.00 0.00 H new ATOM 0 HE1 MET A 3 56.568 24.619 -2.181 1.00 0.00 H new ATOM 0 HE2 MET A 3 55.026 24.845 -3.040 1.00 0.00 H new ATOM 0 HE3 MET A 3 55.200 25.409 -1.361 1.00 0.00 H new ATOM 38 N SER A 4 50.570 21.897 2.076 1.00 0.00 N ATOM 39 CA SER A 4 49.773 20.913 2.884 1.00 0.00 C ATOM 40 C SER A 4 49.723 19.549 2.183 1.00 0.00 C ATOM 41 O SER A 4 48.761 18.814 2.306 1.00 0.00 O ATOM 42 CB SER A 4 48.369 21.514 2.989 1.00 0.00 C ATOM 43 OG SER A 4 47.811 21.182 4.254 1.00 0.00 O ATOM 0 H SER A 4 51.317 22.365 2.589 1.00 0.00 H new ATOM 0 HA SER A 4 50.217 20.745 3.865 1.00 0.00 H new ATOM 0 HB2 SER A 4 48.414 22.597 2.871 1.00 0.00 H new ATOM 0 HB3 SER A 4 47.736 21.132 2.188 1.00 0.00 H new ATOM 0 HG SER A 4 46.912 21.566 4.326 1.00 0.00 H new ATOM 49 N THR A 5 50.754 19.212 1.452 1.00 0.00 N ATOM 50 CA THR A 5 50.779 17.899 0.737 1.00 0.00 C ATOM 51 C THR A 5 51.164 16.761 1.695 1.00 0.00 C ATOM 52 O THR A 5 51.024 15.598 1.368 1.00 0.00 O ATOM 53 CB THR A 5 51.840 18.060 -0.354 1.00 0.00 C ATOM 54 OG1 THR A 5 51.698 19.336 -0.963 1.00 0.00 O ATOM 55 CG2 THR A 5 51.661 16.966 -1.407 1.00 0.00 C ATOM 0 H THR A 5 51.583 19.791 1.319 1.00 0.00 H new ATOM 0 HA THR A 5 49.802 17.643 0.327 1.00 0.00 H new ATOM 0 HB THR A 5 52.833 17.976 0.087 1.00 0.00 H new ATOM 0 HG1 THR A 5 52.468 19.508 -1.545 1.00 0.00 H new ATOM 0 HG21 THR A 5 52.417 17.081 -2.184 1.00 0.00 H new ATOM 0 HG22 THR A 5 51.769 15.988 -0.938 1.00 0.00 H new ATOM 0 HG23 THR A 5 50.669 17.047 -1.851 1.00 0.00 H new ATOM 63 N SER A 6 51.651 17.081 2.876 1.00 0.00 N ATOM 64 CA SER A 6 52.050 16.014 3.856 1.00 0.00 C ATOM 65 C SER A 6 53.049 15.042 3.218 1.00 0.00 C ATOM 66 O SER A 6 53.118 13.883 3.579 1.00 0.00 O ATOM 67 CB SER A 6 50.753 15.289 4.226 1.00 0.00 C ATOM 68 OG SER A 6 51.021 14.346 5.257 1.00 0.00 O ATOM 0 H SER A 6 51.789 18.037 3.203 1.00 0.00 H new ATOM 0 HA SER A 6 52.539 16.436 4.734 1.00 0.00 H new ATOM 0 HB2 SER A 6 50.004 16.007 4.559 1.00 0.00 H new ATOM 0 HB3 SER A 6 50.343 14.783 3.352 1.00 0.00 H new ATOM 0 HG SER A 6 51.802 13.807 5.013 1.00 0.00 H new ATOM 74 N GLU A 7 53.826 15.512 2.272 1.00 0.00 N ATOM 75 CA GLU A 7 54.835 14.632 1.594 1.00 0.00 C ATOM 76 C GLU A 7 54.175 13.354 1.059 1.00 0.00 C ATOM 77 O GLU A 7 54.398 12.270 1.566 1.00 0.00 O ATOM 78 CB GLU A 7 55.870 14.295 2.672 1.00 0.00 C ATOM 79 CG GLU A 7 56.879 15.439 2.789 1.00 0.00 C ATOM 80 CD GLU A 7 58.076 14.981 3.623 1.00 0.00 C ATOM 81 OE1 GLU A 7 58.593 13.912 3.343 1.00 0.00 O ATOM 82 OE2 GLU A 7 58.457 15.708 4.525 1.00 0.00 O ATOM 0 H GLU A 7 53.806 16.475 1.937 1.00 0.00 H new ATOM 0 HA GLU A 7 55.289 15.128 0.736 1.00 0.00 H new ATOM 0 HB2 GLU A 7 55.374 14.135 3.629 1.00 0.00 H new ATOM 0 HB3 GLU A 7 56.384 13.367 2.420 1.00 0.00 H new ATOM 0 HG2 GLU A 7 57.210 15.749 1.798 1.00 0.00 H new ATOM 0 HG3 GLU A 7 56.409 16.306 3.253 1.00 0.00 H new ATOM 89 N LEU A 8 53.367 13.477 0.036 1.00 0.00 N ATOM 90 CA LEU A 8 52.692 12.276 -0.541 1.00 0.00 C ATOM 91 C LEU A 8 53.477 11.766 -1.753 1.00 0.00 C ATOM 92 O LEU A 8 53.954 12.540 -2.562 1.00 0.00 O ATOM 93 CB LEU A 8 51.303 12.764 -0.966 1.00 0.00 C ATOM 94 CG LEU A 8 50.253 12.269 0.031 1.00 0.00 C ATOM 95 CD1 LEU A 8 48.889 12.867 -0.323 1.00 0.00 C ATOM 96 CD2 LEU A 8 50.171 10.741 -0.027 1.00 0.00 C ATOM 0 H LEU A 8 53.146 14.360 -0.425 1.00 0.00 H new ATOM 0 HA LEU A 8 52.631 11.453 0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 8 51.289 13.853 -1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 8 51.069 12.399 -1.966 1.00 0.00 H new ATOM 0 HG LEU A 8 50.535 12.579 1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 8 48.142 12.514 0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 8 48.946 13.955 -0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 8 48.607 12.559 -1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 8 49.423 10.390 0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 8 49.890 10.430 -1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 8 51.141 10.315 0.227 1.00 0.00 H new ATOM 108 N LYS A 9 53.613 10.470 -1.880 1.00 0.00 N ATOM 109 CA LYS A 9 54.368 9.903 -3.037 1.00 0.00 C ATOM 110 C LYS A 9 54.142 8.392 -3.135 1.00 0.00 C ATOM 111 O LYS A 9 53.207 7.855 -2.569 1.00 0.00 O ATOM 112 CB LYS A 9 55.838 10.205 -2.736 1.00 0.00 C ATOM 113 CG LYS A 9 56.561 10.578 -4.032 1.00 0.00 C ATOM 114 CD LYS A 9 58.038 10.196 -3.919 1.00 0.00 C ATOM 115 CE LYS A 9 58.842 10.936 -4.991 1.00 0.00 C ATOM 116 NZ LYS A 9 58.989 9.958 -6.104 1.00 0.00 N ATOM 0 H LYS A 9 53.233 9.780 -1.232 1.00 0.00 H new ATOM 0 HA LYS A 9 54.047 10.332 -3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 9 55.912 11.022 -2.018 1.00 0.00 H new ATOM 0 HB3 LYS A 9 56.312 9.336 -2.280 1.00 0.00 H new ATOM 0 HG2 LYS A 9 56.105 10.063 -4.877 1.00 0.00 H new ATOM 0 HG3 LYS A 9 56.464 11.647 -4.220 1.00 0.00 H new ATOM 0 HD2 LYS A 9 58.415 10.449 -2.928 1.00 0.00 H new ATOM 0 HD3 LYS A 9 58.156 9.119 -4.040 1.00 0.00 H new ATOM 0 HE2 LYS A 9 58.324 11.836 -5.322 1.00 0.00 H new ATOM 0 HE3 LYS A 9 59.814 11.249 -4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 59.297 10.455 -6.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 59.697 9.241 -5.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 58.075 9.494 -6.281 1.00 0.00 H new ATOM 130 N LYS A 10 54.994 7.707 -3.852 1.00 0.00 N ATOM 131 CA LYS A 10 54.847 6.224 -4.001 1.00 0.00 C ATOM 132 C LYS A 10 56.174 5.530 -3.667 1.00 0.00 C ATOM 133 O LYS A 10 57.128 6.169 -3.267 1.00 0.00 O ATOM 134 CB LYS A 10 54.441 5.972 -5.467 1.00 0.00 C ATOM 135 CG LYS A 10 55.276 6.829 -6.426 1.00 0.00 C ATOM 136 CD LYS A 10 54.565 8.161 -6.675 1.00 0.00 C ATOM 137 CE LYS A 10 54.870 8.647 -8.093 1.00 0.00 C ATOM 138 NZ LYS A 10 56.208 9.292 -7.998 1.00 0.00 N ATOM 0 H LYS A 10 55.791 8.111 -4.344 1.00 0.00 H new ATOM 0 HA LYS A 10 54.096 5.822 -3.321 1.00 0.00 H new ATOM 0 HB2 LYS A 10 54.573 4.917 -5.708 1.00 0.00 H new ATOM 0 HB3 LYS A 10 53.383 6.199 -5.599 1.00 0.00 H new ATOM 0 HG2 LYS A 10 56.265 7.006 -6.004 1.00 0.00 H new ATOM 0 HG3 LYS A 10 55.422 6.301 -7.368 1.00 0.00 H new ATOM 0 HD2 LYS A 10 53.490 8.041 -6.544 1.00 0.00 H new ATOM 0 HD3 LYS A 10 54.894 8.902 -5.947 1.00 0.00 H new ATOM 0 HE2 LYS A 10 54.880 7.818 -8.801 1.00 0.00 H new ATOM 0 HE3 LYS A 10 54.115 9.353 -8.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 56.487 9.651 -8.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 56.166 10.081 -7.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 56.907 8.594 -7.672 1.00 0.00 H new ATOM 152 N VAL A 11 56.239 4.228 -3.827 1.00 0.00 N ATOM 153 CA VAL A 11 57.503 3.483 -3.510 1.00 0.00 C ATOM 154 C VAL A 11 57.534 2.157 -4.264 1.00 0.00 C ATOM 155 O VAL A 11 56.531 1.697 -4.768 1.00 0.00 O ATOM 156 CB VAL A 11 57.493 3.211 -1.996 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.804 4.501 -1.238 1.00 0.00 C ATOM 158 CG2 VAL A 11 56.130 2.662 -1.555 1.00 0.00 C ATOM 0 H VAL A 11 55.471 3.648 -4.164 1.00 0.00 H new ATOM 0 HA VAL A 11 58.377 4.063 -3.804 1.00 0.00 H new ATOM 0 HB VAL A 11 58.256 2.466 -1.770 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.796 4.304 -0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.787 4.868 -1.532 1.00 0.00 H new ATOM 0 HG13 VAL A 11 57.051 5.253 -1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 11 56.143 2.476 -0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.352 3.389 -1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.925 1.730 -2.082 1.00 0.00 H new ATOM 168 N VAL A 12 58.681 1.537 -4.330 1.00 0.00 N ATOM 169 CA VAL A 12 58.802 0.235 -5.044 1.00 0.00 C ATOM 170 C VAL A 12 58.717 -0.911 -4.010 1.00 0.00 C ATOM 171 O VAL A 12 58.638 -0.678 -2.820 1.00 0.00 O ATOM 172 CB VAL A 12 60.190 0.340 -5.734 1.00 0.00 C ATOM 173 CG1 VAL A 12 60.984 -0.974 -5.711 1.00 0.00 C ATOM 174 CG2 VAL A 12 59.996 0.759 -7.187 1.00 0.00 C ATOM 0 H VAL A 12 59.547 1.881 -3.916 1.00 0.00 H new ATOM 0 HA VAL A 12 58.018 0.028 -5.773 1.00 0.00 H new ATOM 0 HB VAL A 12 60.763 1.078 -5.172 1.00 0.00 H new ATOM 0 HG11 VAL A 12 61.942 -0.829 -6.210 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.155 -1.278 -4.678 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.419 -1.749 -6.229 1.00 0.00 H new ATOM 0 HG21 VAL A 12 60.967 0.834 -7.677 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.387 0.016 -7.702 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.495 1.727 -7.223 1.00 0.00 H new ATOM 184 N ALA A 13 58.757 -2.135 -4.464 1.00 0.00 N ATOM 185 CA ALA A 13 58.706 -3.300 -3.530 1.00 0.00 C ATOM 186 C ALA A 13 59.980 -4.136 -3.687 1.00 0.00 C ATOM 187 O ALA A 13 60.451 -4.353 -4.788 1.00 0.00 O ATOM 188 CB ALA A 13 57.480 -4.107 -3.958 1.00 0.00 C ATOM 0 H ALA A 13 58.823 -2.381 -5.452 1.00 0.00 H new ATOM 0 HA ALA A 13 58.640 -2.995 -2.486 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.377 -4.981 -3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.588 -3.487 -3.872 1.00 0.00 H new ATOM 0 HB3 ALA A 13 57.599 -4.429 -4.992 1.00 0.00 H new ATOM 194 N LEU A 14 60.544 -4.600 -2.599 1.00 0.00 N ATOM 195 CA LEU A 14 61.794 -5.415 -2.690 1.00 0.00 C ATOM 196 C LEU A 14 61.463 -6.906 -2.776 1.00 0.00 C ATOM 197 O LEU A 14 61.602 -7.522 -3.817 1.00 0.00 O ATOM 198 CB LEU A 14 62.566 -5.109 -1.407 1.00 0.00 C ATOM 199 CG LEU A 14 63.075 -3.667 -1.448 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.529 -3.245 -0.051 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.257 -3.573 -2.417 1.00 0.00 C ATOM 0 H LEU A 14 60.193 -4.450 -1.653 1.00 0.00 H new ATOM 0 HA LEU A 14 62.372 -5.173 -3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 14 61.922 -5.254 -0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.404 -5.798 -1.301 1.00 0.00 H new ATOM 0 HG LEU A 14 62.274 -3.008 -1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 14 63.892 -2.217 -0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 14 62.689 -3.313 0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.330 -3.903 0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.621 -2.546 -2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 14 65.057 -4.232 -2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 14 63.935 -3.874 -3.414 1.00 0.00 H new ATOM 213 N TYR A 15 61.036 -7.490 -1.688 1.00 0.00 N ATOM 214 CA TYR A 15 60.704 -8.947 -1.693 1.00 0.00 C ATOM 215 C TYR A 15 59.189 -9.154 -1.646 1.00 0.00 C ATOM 216 O TYR A 15 58.426 -8.217 -1.495 1.00 0.00 O ATOM 217 CB TYR A 15 61.356 -9.511 -0.431 1.00 0.00 C ATOM 218 CG TYR A 15 62.853 -9.324 -0.505 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.568 -9.831 -1.596 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.525 -8.643 0.518 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.956 -9.658 -1.664 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.912 -8.470 0.448 1.00 0.00 C ATOM 223 CZ TYR A 15 65.628 -8.977 -0.642 1.00 0.00 C ATOM 224 OH TYR A 15 66.996 -8.807 -0.710 1.00 0.00 O ATOM 0 H TYR A 15 60.902 -7.020 -0.793 1.00 0.00 H new ATOM 0 HA TYR A 15 61.063 -9.441 -2.596 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.960 -9.007 0.451 1.00 0.00 H new ATOM 0 HB3 TYR A 15 61.117 -10.569 -0.328 1.00 0.00 H new ATOM 0 HD1 TYR A 15 63.050 -10.355 -2.385 1.00 0.00 H new ATOM 0 HD2 TYR A 15 62.973 -8.252 1.360 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.508 -10.050 -2.505 1.00 0.00 H new ATOM 0 HE2 TYR A 15 65.430 -7.944 1.236 1.00 0.00 H new ATOM 0 HH TYR A 15 67.304 -8.313 0.078 1.00 0.00 H new ATOM 234 N ASP A 16 58.752 -10.381 -1.776 1.00 0.00 N ATOM 235 CA ASP A 16 57.286 -10.671 -1.742 1.00 0.00 C ATOM 236 C ASP A 16 56.747 -10.556 -0.313 1.00 0.00 C ATOM 237 O ASP A 16 57.466 -10.750 0.649 1.00 0.00 O ATOM 238 CB ASP A 16 57.151 -12.108 -2.251 1.00 0.00 C ATOM 239 CG ASP A 16 57.042 -12.103 -3.776 1.00 0.00 C ATOM 240 OD1 ASP A 16 57.963 -11.620 -4.415 1.00 0.00 O ATOM 241 OD2 ASP A 16 56.039 -12.581 -4.281 1.00 0.00 O ATOM 0 H ASP A 16 59.350 -11.197 -1.905 1.00 0.00 H new ATOM 0 HA ASP A 16 56.718 -9.967 -2.349 1.00 0.00 H new ATOM 0 HB2 ASP A 16 58.013 -12.697 -1.940 1.00 0.00 H new ATOM 0 HB3 ASP A 16 56.270 -12.578 -1.815 1.00 0.00 H new ATOM 246 N TYR A 17 55.485 -10.239 -0.175 1.00 0.00 N ATOM 247 CA TYR A 17 54.879 -10.102 1.181 1.00 0.00 C ATOM 248 C TYR A 17 53.348 -10.090 1.045 1.00 0.00 C ATOM 249 O TYR A 17 52.700 -9.073 1.208 1.00 0.00 O ATOM 250 CB TYR A 17 55.442 -8.769 1.711 1.00 0.00 C ATOM 251 CG TYR A 17 54.679 -8.269 2.925 1.00 0.00 C ATOM 252 CD1 TYR A 17 54.235 -9.161 3.913 1.00 0.00 C ATOM 253 CD2 TYR A 17 54.427 -6.899 3.059 1.00 0.00 C ATOM 254 CE1 TYR A 17 53.540 -8.678 5.029 1.00 0.00 C ATOM 255 CE2 TYR A 17 53.732 -6.418 4.173 1.00 0.00 C ATOM 256 CZ TYR A 17 53.288 -7.306 5.158 1.00 0.00 C ATOM 257 OH TYR A 17 52.607 -6.829 6.257 1.00 0.00 O ATOM 0 H TYR A 17 54.845 -10.068 -0.950 1.00 0.00 H new ATOM 0 HA TYR A 17 55.114 -10.918 1.864 1.00 0.00 H new ATOM 0 HB2 TYR A 17 56.493 -8.898 1.971 1.00 0.00 H new ATOM 0 HB3 TYR A 17 55.399 -8.018 0.922 1.00 0.00 H new ATOM 0 HD1 TYR A 17 54.429 -10.219 3.813 1.00 0.00 H new ATOM 0 HD2 TYR A 17 54.770 -6.211 2.300 1.00 0.00 H new ATOM 0 HE1 TYR A 17 53.198 -9.364 5.790 1.00 0.00 H new ATOM 0 HE2 TYR A 17 53.538 -5.360 4.273 1.00 0.00 H new ATOM 0 HH TYR A 17 52.568 -7.526 6.945 1.00 0.00 H new ATOM 267 N MET A 18 52.779 -11.227 0.734 1.00 0.00 N ATOM 268 CA MET A 18 51.294 -11.326 0.563 1.00 0.00 C ATOM 269 C MET A 18 50.560 -10.929 1.857 1.00 0.00 C ATOM 270 O MET A 18 51.169 -10.861 2.906 1.00 0.00 O ATOM 271 CB MET A 18 51.032 -12.801 0.222 1.00 0.00 C ATOM 272 CG MET A 18 51.546 -13.700 1.351 1.00 0.00 C ATOM 273 SD MET A 18 50.856 -15.362 1.162 1.00 0.00 S ATOM 274 CE MET A 18 52.204 -16.261 1.966 1.00 0.00 C ATOM 0 H MET A 18 53.284 -12.101 0.589 1.00 0.00 H new ATOM 0 HA MET A 18 50.930 -10.652 -0.213 1.00 0.00 H new ATOM 0 HB2 MET A 18 49.965 -12.964 0.074 1.00 0.00 H new ATOM 0 HB3 MET A 18 51.527 -13.060 -0.714 1.00 0.00 H new ATOM 0 HG2 MET A 18 52.635 -13.742 1.329 1.00 0.00 H new ATOM 0 HG3 MET A 18 51.262 -13.285 2.318 1.00 0.00 H new ATOM 0 HE1 MET A 18 51.983 -17.328 1.962 1.00 0.00 H new ATOM 0 HE2 MET A 18 53.134 -16.081 1.427 1.00 0.00 H new ATOM 0 HE3 MET A 18 52.308 -15.916 2.995 1.00 0.00 H new ATOM 284 N PRO A 19 49.264 -10.669 1.750 1.00 0.00 N ATOM 285 CA PRO A 19 48.474 -10.269 2.939 1.00 0.00 C ATOM 286 C PRO A 19 48.380 -11.421 3.945 1.00 0.00 C ATOM 287 O PRO A 19 48.715 -12.550 3.642 1.00 0.00 O ATOM 288 CB PRO A 19 47.100 -9.944 2.338 1.00 0.00 C ATOM 289 CG PRO A 19 47.161 -10.163 0.816 1.00 0.00 C ATOM 290 CD PRO A 19 48.525 -10.752 0.459 1.00 0.00 C ATOM 0 HA PRO A 19 48.910 -9.436 3.491 1.00 0.00 H new ATOM 0 HB2 PRO A 19 46.334 -10.581 2.781 1.00 0.00 H new ATOM 0 HB3 PRO A 19 46.825 -8.913 2.560 1.00 0.00 H new ATOM 0 HG2 PRO A 19 46.364 -10.836 0.499 1.00 0.00 H new ATOM 0 HG3 PRO A 19 47.008 -9.219 0.292 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.442 -11.780 0.105 1.00 0.00 H new ATOM 0 HD3 PRO A 19 49.019 -10.182 -0.328 1.00 0.00 H new ATOM 298 N MET A 20 47.925 -11.137 5.139 1.00 0.00 N ATOM 299 CA MET A 20 47.802 -12.205 6.177 1.00 0.00 C ATOM 300 C MET A 20 46.466 -12.076 6.914 1.00 0.00 C ATOM 301 O MET A 20 45.583 -12.899 6.764 1.00 0.00 O ATOM 302 CB MET A 20 48.968 -11.963 7.136 1.00 0.00 C ATOM 303 CG MET A 20 50.292 -12.216 6.411 1.00 0.00 C ATOM 304 SD MET A 20 50.437 -13.976 6.012 1.00 0.00 S ATOM 305 CE MET A 20 51.857 -14.333 7.077 1.00 0.00 C ATOM 0 H MET A 20 47.632 -10.208 5.441 1.00 0.00 H new ATOM 0 HA MET A 20 47.831 -13.205 5.745 1.00 0.00 H new ATOM 0 HB2 MET A 20 48.937 -10.940 7.511 1.00 0.00 H new ATOM 0 HB3 MET A 20 48.884 -12.622 8.000 1.00 0.00 H new ATOM 0 HG2 MET A 20 50.339 -11.621 5.499 1.00 0.00 H new ATOM 0 HG3 MET A 20 51.127 -11.905 7.038 1.00 0.00 H new ATOM 0 HE1 MET A 20 52.124 -15.386 6.987 1.00 0.00 H new ATOM 0 HE2 MET A 20 52.703 -13.717 6.774 1.00 0.00 H new ATOM 0 HE3 MET A 20 51.600 -14.111 8.113 1.00 0.00 H new ATOM 315 N ASN A 21 46.317 -11.047 7.710 1.00 0.00 N ATOM 316 CA ASN A 21 45.042 -10.854 8.464 1.00 0.00 C ATOM 317 C ASN A 21 44.219 -9.725 7.835 1.00 0.00 C ATOM 318 O ASN A 21 43.803 -8.799 8.505 1.00 0.00 O ATOM 319 CB ASN A 21 45.473 -10.479 9.883 1.00 0.00 C ATOM 320 CG ASN A 21 44.422 -10.963 10.882 1.00 0.00 C ATOM 321 OD1 ASN A 21 43.919 -10.191 11.674 1.00 0.00 O ATOM 322 ND2 ASN A 21 44.066 -12.218 10.880 1.00 0.00 N ATOM 0 H ASN A 21 47.026 -10.331 7.870 1.00 0.00 H new ATOM 0 HA ASN A 21 44.416 -11.746 8.451 1.00 0.00 H new ATOM 0 HB2 ASN A 21 46.440 -10.928 10.111 1.00 0.00 H new ATOM 0 HB3 ASN A 21 45.596 -9.399 9.963 1.00 0.00 H new ATOM 0 HD21 ASN A 21 43.366 -12.551 11.543 1.00 0.00 H new ATOM 0 HD22 ASN A 21 44.488 -12.867 10.215 1.00 0.00 H new ATOM 329 N ALA A 22 43.985 -9.796 6.547 1.00 0.00 N ATOM 330 CA ALA A 22 43.189 -8.734 5.846 1.00 0.00 C ATOM 331 C ALA A 22 43.756 -7.339 6.133 1.00 0.00 C ATOM 332 O ALA A 22 43.059 -6.347 6.045 1.00 0.00 O ATOM 333 CB ALA A 22 41.767 -8.856 6.399 1.00 0.00 C ATOM 0 H ALA A 22 44.314 -10.550 5.944 1.00 0.00 H new ATOM 0 HA ALA A 22 43.220 -8.865 4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 22 41.129 -8.108 5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 22 41.378 -9.851 6.185 1.00 0.00 H new ATOM 0 HB3 ALA A 22 41.781 -8.696 7.477 1.00 0.00 H new ATOM 339 N ASN A 23 45.017 -7.262 6.467 1.00 0.00 N ATOM 340 CA ASN A 23 45.645 -5.940 6.753 1.00 0.00 C ATOM 341 C ASN A 23 46.867 -5.737 5.883 1.00 0.00 C ATOM 342 O ASN A 23 46.995 -4.758 5.172 1.00 0.00 O ATOM 343 CB ASN A 23 46.097 -6.005 8.202 1.00 0.00 C ATOM 344 CG ASN A 23 44.996 -5.471 9.120 1.00 0.00 C ATOM 345 OD1 ASN A 23 44.645 -6.104 10.096 1.00 0.00 O ATOM 346 ND2 ASN A 23 44.431 -4.326 8.850 1.00 0.00 N ATOM 0 H ASN A 23 45.642 -8.063 6.554 1.00 0.00 H new ATOM 0 HA ASN A 23 44.945 -5.126 6.561 1.00 0.00 H new ATOM 0 HB2 ASN A 23 46.338 -7.034 8.470 1.00 0.00 H new ATOM 0 HB3 ASN A 23 47.007 -5.420 8.334 1.00 0.00 H new ATOM 0 HD21 ASN A 23 43.696 -3.964 9.458 1.00 0.00 H new ATOM 0 HD22 ASN A 23 44.724 -3.793 8.031 1.00 0.00 H new ATOM 353 N ASP A 24 47.785 -6.656 5.974 1.00 0.00 N ATOM 354 CA ASP A 24 49.047 -6.542 5.197 1.00 0.00 C ATOM 355 C ASP A 24 48.750 -6.340 3.704 1.00 0.00 C ATOM 356 O ASP A 24 48.016 -7.100 3.103 1.00 0.00 O ATOM 357 CB ASP A 24 49.785 -7.863 5.437 1.00 0.00 C ATOM 358 CG ASP A 24 50.206 -7.965 6.908 1.00 0.00 C ATOM 359 OD1 ASP A 24 49.544 -7.367 7.742 1.00 0.00 O ATOM 360 OD2 ASP A 24 51.182 -8.645 7.176 1.00 0.00 O ATOM 0 H ASP A 24 47.714 -7.489 6.559 1.00 0.00 H new ATOM 0 HA ASP A 24 49.643 -5.684 5.508 1.00 0.00 H new ATOM 0 HB2 ASP A 24 49.141 -8.702 5.175 1.00 0.00 H new ATOM 0 HB3 ASP A 24 50.663 -7.922 4.793 1.00 0.00 H new ATOM 365 N LEU A 25 49.309 -5.316 3.110 1.00 0.00 N ATOM 366 CA LEU A 25 49.054 -5.056 1.661 1.00 0.00 C ATOM 367 C LEU A 25 49.815 -6.077 0.810 1.00 0.00 C ATOM 368 O LEU A 25 50.992 -6.308 1.008 1.00 0.00 O ATOM 369 CB LEU A 25 49.565 -3.632 1.417 1.00 0.00 C ATOM 370 CG LEU A 25 49.321 -3.240 -0.044 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.820 -3.053 -0.282 1.00 0.00 C ATOM 372 CD2 LEU A 25 50.044 -1.926 -0.351 1.00 0.00 C ATOM 0 H LEU A 25 49.931 -4.649 3.566 1.00 0.00 H new ATOM 0 HA LEU A 25 48.002 -5.149 1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 25 49.056 -2.934 2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.629 -3.572 1.647 1.00 0.00 H new ATOM 0 HG LEU A 25 49.700 -4.028 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.648 -2.774 -1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 25 47.298 -3.985 -0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.443 -2.266 0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.869 -1.649 -1.391 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.665 -1.141 0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 25 51.114 -2.052 -0.184 1.00 0.00 H new ATOM 384 N GLN A 26 49.142 -6.702 -0.122 1.00 0.00 N ATOM 385 CA GLN A 26 49.809 -7.731 -0.982 1.00 0.00 C ATOM 386 C GLN A 26 50.967 -7.118 -1.772 1.00 0.00 C ATOM 387 O GLN A 26 50.805 -6.699 -2.903 1.00 0.00 O ATOM 388 CB GLN A 26 48.721 -8.228 -1.936 1.00 0.00 C ATOM 389 CG GLN A 26 49.239 -9.437 -2.717 1.00 0.00 C ATOM 390 CD GLN A 26 48.059 -10.303 -3.160 1.00 0.00 C ATOM 391 OE1 GLN A 26 47.857 -11.456 -2.583 1.00 0.00 O flip ATOM 392 NE2 GLN A 26 47.312 -9.927 -4.042 1.00 0.00 N flip ATOM 0 H GLN A 26 48.155 -6.545 -0.327 1.00 0.00 H new ATOM 0 HA GLN A 26 50.232 -8.538 -0.384 1.00 0.00 H new ATOM 0 HB2 GLN A 26 47.827 -8.500 -1.375 1.00 0.00 H new ATOM 0 HB3 GLN A 26 48.435 -7.433 -2.624 1.00 0.00 H new ATOM 0 HG2 GLN A 26 49.807 -9.105 -3.586 1.00 0.00 H new ATOM 0 HG3 GLN A 26 49.919 -10.020 -2.096 1.00 0.00 H new ATOM 0 HE21 GLN A 26 47.469 -9.026 -4.494 1.00 0.00 H new ATOM 0 HE22 GLN A 26 46.528 -10.512 -4.331 1.00 0.00 H new ATOM 401 N LEU A 27 52.134 -7.077 -1.185 1.00 0.00 N ATOM 402 CA LEU A 27 53.315 -6.509 -1.893 1.00 0.00 C ATOM 403 C LEU A 27 53.917 -7.556 -2.836 1.00 0.00 C ATOM 404 O LEU A 27 53.330 -8.592 -3.085 1.00 0.00 O ATOM 405 CB LEU A 27 54.302 -6.146 -0.781 1.00 0.00 C ATOM 406 CG LEU A 27 54.059 -4.702 -0.332 1.00 0.00 C ATOM 407 CD1 LEU A 27 53.237 -4.693 0.963 1.00 0.00 C ATOM 408 CD2 LEU A 27 55.405 -4.006 -0.095 1.00 0.00 C ATOM 0 H LEU A 27 52.319 -7.415 -0.241 1.00 0.00 H new ATOM 0 HA LEU A 27 53.059 -5.645 -2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 27 54.181 -6.825 0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.326 -6.260 -1.138 1.00 0.00 H new ATOM 0 HG LEU A 27 53.509 -4.170 -1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 27 53.067 -3.664 1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 27 52.279 -5.183 0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 27 53.781 -5.226 1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 27 55.232 -2.978 0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 27 55.959 -4.538 0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.982 -4.006 -1.019 1.00 0.00 H new ATOM 420 N ARG A 28 55.080 -7.284 -3.362 1.00 0.00 N ATOM 421 CA ARG A 28 55.741 -8.240 -4.298 1.00 0.00 C ATOM 422 C ARG A 28 57.175 -7.783 -4.568 1.00 0.00 C ATOM 423 O ARG A 28 57.727 -6.988 -3.830 1.00 0.00 O ATOM 424 CB ARG A 28 54.910 -8.184 -5.582 1.00 0.00 C ATOM 425 CG ARG A 28 54.817 -9.584 -6.193 1.00 0.00 C ATOM 426 CD ARG A 28 53.453 -9.760 -6.862 1.00 0.00 C ATOM 427 NE ARG A 28 53.588 -9.098 -8.189 1.00 0.00 N ATOM 428 CZ ARG A 28 53.749 -9.818 -9.266 1.00 0.00 C ATOM 429 NH1 ARG A 28 52.739 -10.474 -9.769 1.00 0.00 N ATOM 430 NH2 ARG A 28 54.920 -9.882 -9.838 1.00 0.00 N ATOM 0 H ARG A 28 55.607 -6.430 -3.181 1.00 0.00 H new ATOM 0 HA ARG A 28 55.791 -9.252 -3.896 1.00 0.00 H new ATOM 0 HB2 ARG A 28 53.912 -7.804 -5.365 1.00 0.00 H new ATOM 0 HB3 ARG A 28 55.366 -7.495 -6.293 1.00 0.00 H new ATOM 0 HG2 ARG A 28 55.613 -9.727 -6.924 1.00 0.00 H new ATOM 0 HG3 ARG A 28 54.955 -10.340 -5.420 1.00 0.00 H new ATOM 0 HD2 ARG A 28 53.200 -10.815 -6.971 1.00 0.00 H new ATOM 0 HD3 ARG A 28 52.661 -9.301 -6.270 1.00 0.00 H new ATOM 0 HE ARG A 28 53.555 -8.081 -8.257 1.00 0.00 H new ATOM 0 HH11 ARG A 28 51.824 -10.424 -9.321 1.00 0.00 H new ATOM 0 HH12 ARG A 28 52.864 -11.037 -10.610 1.00 0.00 H new ATOM 0 HH21 ARG A 28 55.709 -9.370 -9.444 1.00 0.00 H new ATOM 0 HH22 ARG A 28 55.046 -10.444 -10.679 1.00 0.00 H new ATOM 444 N LYS A 29 57.775 -8.271 -5.621 1.00 0.00 N ATOM 445 CA LYS A 29 59.166 -7.861 -5.945 1.00 0.00 C ATOM 446 C LYS A 29 59.198 -7.134 -7.291 1.00 0.00 C ATOM 447 O LYS A 29 58.832 -7.682 -8.314 1.00 0.00 O ATOM 448 CB LYS A 29 59.969 -9.164 -5.995 1.00 0.00 C ATOM 449 CG LYS A 29 61.436 -8.859 -6.314 1.00 0.00 C ATOM 450 CD LYS A 29 61.686 -9.049 -7.813 1.00 0.00 C ATOM 451 CE LYS A 29 63.174 -8.852 -8.111 1.00 0.00 C ATOM 452 NZ LYS A 29 63.242 -8.614 -9.579 1.00 0.00 N ATOM 0 H LYS A 29 57.358 -8.938 -6.271 1.00 0.00 H new ATOM 0 HA LYS A 29 59.580 -7.171 -5.210 1.00 0.00 H new ATOM 0 HB2 LYS A 29 59.896 -9.684 -5.040 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.554 -9.829 -6.752 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.677 -7.837 -6.021 1.00 0.00 H new ATOM 0 HG3 LYS A 29 62.088 -9.517 -5.740 1.00 0.00 H new ATOM 0 HD2 LYS A 29 61.371 -10.046 -8.122 1.00 0.00 H new ATOM 0 HD3 LYS A 29 61.092 -8.336 -8.385 1.00 0.00 H new ATOM 0 HE2 LYS A 29 63.580 -8.007 -7.555 1.00 0.00 H new ATOM 0 HE3 LYS A 29 63.754 -9.730 -7.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 64.232 -8.470 -9.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 62.855 -9.437 -10.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 62.686 -7.768 -9.820 1.00 0.00 H new ATOM 466 N GLY A 30 59.622 -5.897 -7.287 1.00 0.00 N ATOM 467 CA GLY A 30 59.670 -5.110 -8.553 1.00 0.00 C ATOM 468 C GLY A 30 58.397 -4.266 -8.679 1.00 0.00 C ATOM 469 O GLY A 30 58.373 -3.278 -9.388 1.00 0.00 O ATOM 0 H GLY A 30 59.938 -5.396 -6.456 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.549 -4.465 -8.560 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.760 -5.781 -9.407 1.00 0.00 H new ATOM 473 N ASP A 31 57.341 -4.641 -7.992 1.00 0.00 N ATOM 474 CA ASP A 31 56.079 -3.853 -8.070 1.00 0.00 C ATOM 475 C ASP A 31 56.192 -2.619 -7.176 1.00 0.00 C ATOM 476 O ASP A 31 56.977 -2.593 -6.254 1.00 0.00 O ATOM 477 CB ASP A 31 54.985 -4.792 -7.560 1.00 0.00 C ATOM 478 CG ASP A 31 53.664 -4.465 -8.258 1.00 0.00 C ATOM 479 OD1 ASP A 31 53.023 -3.509 -7.854 1.00 0.00 O ATOM 480 OD2 ASP A 31 53.316 -5.177 -9.186 1.00 0.00 O ATOM 0 H ASP A 31 57.304 -5.458 -7.383 1.00 0.00 H new ATOM 0 HA ASP A 31 55.865 -3.504 -9.080 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.263 -5.829 -7.751 1.00 0.00 H new ATOM 0 HB3 ASP A 31 54.874 -4.686 -6.481 1.00 0.00 H new ATOM 485 N GLU A 32 55.419 -1.598 -7.441 1.00 0.00 N ATOM 486 CA GLU A 32 55.492 -0.363 -6.596 1.00 0.00 C ATOM 487 C GLU A 32 54.101 -0.050 -6.040 1.00 0.00 C ATOM 488 O GLU A 32 53.126 -0.663 -6.436 1.00 0.00 O ATOM 489 CB GLU A 32 55.984 0.759 -7.526 1.00 0.00 C ATOM 490 CG GLU A 32 57.221 0.309 -8.320 1.00 0.00 C ATOM 491 CD GLU A 32 56.798 -0.406 -9.614 1.00 0.00 C ATOM 492 OE1 GLU A 32 55.607 -0.586 -9.821 1.00 0.00 O ATOM 493 OE2 GLU A 32 57.679 -0.762 -10.379 1.00 0.00 O ATOM 0 H GLU A 32 54.742 -1.563 -8.203 1.00 0.00 H new ATOM 0 HA GLU A 32 56.165 -0.479 -5.746 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.188 1.042 -8.215 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.226 1.644 -6.938 1.00 0.00 H new ATOM 0 HG2 GLU A 32 57.840 1.173 -8.561 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.829 -0.359 -7.710 1.00 0.00 H new ATOM 500 N TYR A 33 53.997 0.863 -5.101 1.00 0.00 N ATOM 501 CA TYR A 33 52.662 1.159 -4.504 1.00 0.00 C ATOM 502 C TYR A 33 52.442 2.661 -4.322 1.00 0.00 C ATOM 503 O TYR A 33 53.214 3.482 -4.772 1.00 0.00 O ATOM 504 CB TYR A 33 52.680 0.495 -3.124 1.00 0.00 C ATOM 505 CG TYR A 33 53.250 -0.904 -3.199 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.576 -1.900 -3.913 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.463 -1.192 -2.564 1.00 0.00 C ATOM 508 CE1 TYR A 33 53.115 -3.187 -3.990 1.00 0.00 C ATOM 509 CE2 TYR A 33 55.003 -2.477 -2.642 1.00 0.00 C ATOM 510 CZ TYR A 33 54.328 -3.475 -3.354 1.00 0.00 C ATOM 511 OH TYR A 33 54.862 -4.740 -3.434 1.00 0.00 O ATOM 0 H TYR A 33 54.773 1.409 -4.728 1.00 0.00 H new ATOM 0 HA TYR A 33 51.865 0.793 -5.152 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.274 1.096 -2.436 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.667 0.457 -2.722 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.641 -1.675 -4.404 1.00 0.00 H new ATOM 0 HD2 TYR A 33 54.981 -0.421 -2.014 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.596 -3.958 -4.540 1.00 0.00 H new ATOM 0 HE2 TYR A 33 55.940 -2.701 -2.154 1.00 0.00 H new ATOM 0 HH TYR A 33 54.967 -4.992 -4.375 1.00 0.00 H new ATOM 521 N PHE A 34 51.388 3.002 -3.629 1.00 0.00 N ATOM 522 CA PHE A 34 51.071 4.435 -3.357 1.00 0.00 C ATOM 523 C PHE A 34 51.112 4.681 -1.851 1.00 0.00 C ATOM 524 O PHE A 34 50.481 3.976 -1.090 1.00 0.00 O ATOM 525 CB PHE A 34 49.654 4.638 -3.889 1.00 0.00 C ATOM 526 CG PHE A 34 49.712 5.081 -5.330 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.021 4.157 -6.336 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.456 6.417 -5.663 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.074 4.568 -7.673 1.00 0.00 C ATOM 530 CE2 PHE A 34 49.509 6.828 -7.000 1.00 0.00 C ATOM 531 CZ PHE A 34 49.819 5.903 -8.005 1.00 0.00 C ATOM 0 H PHE A 34 50.723 2.337 -3.234 1.00 0.00 H new ATOM 0 HA PHE A 34 51.778 5.119 -3.825 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.087 3.711 -3.806 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.133 5.385 -3.289 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.219 3.127 -6.080 1.00 0.00 H new ATOM 0 HD2 PHE A 34 49.218 7.130 -4.888 1.00 0.00 H new ATOM 0 HE1 PHE A 34 50.312 3.855 -8.448 1.00 0.00 H new ATOM 0 HE2 PHE A 34 49.311 7.858 -7.257 1.00 0.00 H new ATOM 0 HZ PHE A 34 49.861 6.220 -9.036 1.00 0.00 H new ATOM 541 N ILE A 35 51.861 5.658 -1.414 1.00 0.00 N ATOM 542 CA ILE A 35 51.965 5.922 0.054 1.00 0.00 C ATOM 543 C ILE A 35 51.016 7.033 0.505 1.00 0.00 C ATOM 544 O ILE A 35 51.034 8.136 -0.006 1.00 0.00 O ATOM 545 CB ILE A 35 53.422 6.340 0.285 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.379 5.241 -0.207 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.664 6.595 1.777 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.104 3.922 0.525 1.00 0.00 C ATOM 0 H ILE A 35 52.405 6.284 -2.007 1.00 0.00 H new ATOM 0 HA ILE A 35 51.686 5.039 0.629 1.00 0.00 H new ATOM 0 HB ILE A 35 53.612 7.255 -0.276 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.258 5.100 -1.281 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.411 5.548 -0.040 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.701 6.891 1.932 1.00 0.00 H new ATOM 0 HG22 ILE A 35 53.004 7.391 2.122 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.459 5.684 2.340 1.00 0.00 H new ATOM 0 HD11 ILE A 35 54.790 3.156 0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.248 4.063 1.596 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.078 3.608 0.336 1.00 0.00 H new ATOM 560 N LEU A 36 50.217 6.745 1.497 1.00 0.00 N ATOM 561 CA LEU A 36 49.285 7.765 2.052 1.00 0.00 C ATOM 562 C LEU A 36 49.842 8.247 3.395 1.00 0.00 C ATOM 563 O LEU A 36 49.694 9.393 3.774 1.00 0.00 O ATOM 564 CB LEU A 36 47.956 7.034 2.247 1.00 0.00 C ATOM 565 CG LEU A 36 47.393 6.621 0.884 1.00 0.00 C ATOM 566 CD1 LEU A 36 47.818 5.186 0.567 1.00 0.00 C ATOM 567 CD2 LEU A 36 45.865 6.704 0.917 1.00 0.00 C ATOM 0 H LEU A 36 50.171 5.833 1.952 1.00 0.00 H new ATOM 0 HA LEU A 36 49.162 8.634 1.405 1.00 0.00 H new ATOM 0 HB2 LEU A 36 48.102 6.154 2.873 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.247 7.680 2.764 1.00 0.00 H new ATOM 0 HG LEU A 36 47.778 7.291 0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 36 47.417 4.894 -0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 36 48.906 5.126 0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 36 47.435 4.515 1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 36 45.464 6.410 -0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.481 6.035 1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 36 45.561 7.727 1.141 1.00 0.00 H new ATOM 579 N GLU A 37 50.499 7.365 4.106 1.00 0.00 N ATOM 580 CA GLU A 37 51.100 7.724 5.421 1.00 0.00 C ATOM 581 C GLU A 37 52.087 6.625 5.821 1.00 0.00 C ATOM 582 O GLU A 37 52.259 5.659 5.099 1.00 0.00 O ATOM 583 CB GLU A 37 49.926 7.784 6.398 1.00 0.00 C ATOM 584 CG GLU A 37 50.161 8.906 7.412 1.00 0.00 C ATOM 585 CD GLU A 37 48.815 9.466 7.876 1.00 0.00 C ATOM 586 OE1 GLU A 37 48.143 8.785 8.634 1.00 0.00 O ATOM 587 OE2 GLU A 37 48.479 10.564 7.467 1.00 0.00 O ATOM 0 H GLU A 37 50.645 6.396 3.823 1.00 0.00 H new ATOM 0 HA GLU A 37 51.641 8.670 5.403 1.00 0.00 H new ATOM 0 HB2 GLU A 37 48.997 7.959 5.856 1.00 0.00 H new ATOM 0 HB3 GLU A 37 49.820 6.830 6.914 1.00 0.00 H new ATOM 0 HG2 GLU A 37 50.723 8.527 8.266 1.00 0.00 H new ATOM 0 HG3 GLU A 37 50.760 9.697 6.962 1.00 0.00 H new ATOM 594 N GLU A 38 52.723 6.742 6.960 1.00 0.00 N ATOM 595 CA GLU A 38 53.677 5.681 7.387 1.00 0.00 C ATOM 596 C GLU A 38 53.440 5.317 8.847 1.00 0.00 C ATOM 597 O GLU A 38 54.311 4.799 9.516 1.00 0.00 O ATOM 598 CB GLU A 38 55.076 6.275 7.189 1.00 0.00 C ATOM 599 CG GLU A 38 55.215 7.573 7.993 1.00 0.00 C ATOM 600 CD GLU A 38 54.902 8.770 7.092 1.00 0.00 C ATOM 601 OE1 GLU A 38 55.775 9.160 6.334 1.00 0.00 O ATOM 602 OE2 GLU A 38 53.794 9.275 7.174 1.00 0.00 O ATOM 0 H GLU A 38 52.622 7.523 7.608 1.00 0.00 H new ATOM 0 HA GLU A 38 53.553 4.765 6.810 1.00 0.00 H new ATOM 0 HB2 GLU A 38 55.833 5.558 7.507 1.00 0.00 H new ATOM 0 HB3 GLU A 38 55.249 6.473 6.131 1.00 0.00 H new ATOM 0 HG2 GLU A 38 54.536 7.559 8.846 1.00 0.00 H new ATOM 0 HG3 GLU A 38 56.226 7.659 8.392 1.00 0.00 H new ATOM 609 N SER A 39 52.250 5.571 9.332 1.00 0.00 N ATOM 610 CA SER A 39 51.906 5.241 10.752 1.00 0.00 C ATOM 611 C SER A 39 53.004 5.716 11.711 1.00 0.00 C ATOM 612 O SER A 39 53.911 6.431 11.327 1.00 0.00 O ATOM 613 CB SER A 39 51.811 3.716 10.771 1.00 0.00 C ATOM 614 OG SER A 39 50.484 3.324 10.441 1.00 0.00 O ATOM 0 H SER A 39 51.493 5.998 8.799 1.00 0.00 H new ATOM 0 HA SER A 39 50.986 5.728 11.075 1.00 0.00 H new ATOM 0 HB2 SER A 39 52.517 3.287 10.060 1.00 0.00 H new ATOM 0 HB3 SER A 39 52.081 3.335 11.756 1.00 0.00 H new ATOM 0 HG SER A 39 50.420 2.346 10.451 1.00 0.00 H new ATOM 620 N ASN A 40 52.943 5.292 12.942 1.00 0.00 N ATOM 621 CA ASN A 40 54.001 5.674 13.921 1.00 0.00 C ATOM 622 C ASN A 40 54.989 4.509 14.046 1.00 0.00 C ATOM 623 O ASN A 40 55.550 4.262 15.096 1.00 0.00 O ATOM 624 CB ASN A 40 53.264 5.905 15.241 1.00 0.00 C ATOM 625 CG ASN A 40 53.034 7.404 15.444 1.00 0.00 C ATOM 626 OD1 ASN A 40 51.922 7.834 15.674 1.00 0.00 O ATOM 627 ND2 ASN A 40 54.047 8.222 15.368 1.00 0.00 N ATOM 0 H ASN A 40 52.204 4.695 13.314 1.00 0.00 H new ATOM 0 HA ASN A 40 54.561 6.561 13.626 1.00 0.00 H new ATOM 0 HB2 ASN A 40 52.310 5.378 15.234 1.00 0.00 H new ATOM 0 HB3 ASN A 40 53.845 5.500 16.070 1.00 0.00 H new ATOM 0 HD21 ASN A 40 53.905 9.223 15.502 1.00 0.00 H new ATOM 0 HD22 ASN A 40 54.981 7.861 15.175 1.00 0.00 H new ATOM 634 N LEU A 41 55.181 3.779 12.972 1.00 0.00 N ATOM 635 CA LEU A 41 56.109 2.605 13.002 1.00 0.00 C ATOM 636 C LEU A 41 56.588 2.273 11.570 1.00 0.00 C ATOM 637 O LEU A 41 56.006 2.754 10.618 1.00 0.00 O ATOM 638 CB LEU A 41 55.295 1.438 13.612 1.00 0.00 C ATOM 639 CG LEU A 41 53.858 1.390 13.054 1.00 0.00 C ATOM 640 CD1 LEU A 41 53.448 -0.062 12.811 1.00 0.00 C ATOM 641 CD2 LEU A 41 52.893 2.009 14.069 1.00 0.00 C ATOM 0 H LEU A 41 54.732 3.948 12.072 1.00 0.00 H new ATOM 0 HA LEU A 41 57.003 2.802 13.593 1.00 0.00 H new ATOM 0 HB2 LEU A 41 55.798 0.494 13.402 1.00 0.00 H new ATOM 0 HB3 LEU A 41 55.261 1.546 14.696 1.00 0.00 H new ATOM 0 HG LEU A 41 53.822 1.947 12.118 1.00 0.00 H new ATOM 0 HD11 LEU A 41 52.432 -0.092 12.417 1.00 0.00 H new ATOM 0 HD12 LEU A 41 54.130 -0.517 12.093 1.00 0.00 H new ATOM 0 HD13 LEU A 41 53.489 -0.614 13.750 1.00 0.00 H new ATOM 0 HD21 LEU A 41 51.878 1.975 13.674 1.00 0.00 H new ATOM 0 HD22 LEU A 41 52.938 1.448 15.003 1.00 0.00 H new ATOM 0 HD23 LEU A 41 53.175 3.045 14.254 1.00 0.00 H new ATOM 653 N PRO A 42 57.647 1.477 11.443 1.00 0.00 N ATOM 654 CA PRO A 42 58.181 1.130 10.095 1.00 0.00 C ATOM 655 C PRO A 42 57.089 0.616 9.145 1.00 0.00 C ATOM 656 O PRO A 42 57.218 0.728 7.941 1.00 0.00 O ATOM 657 CB PRO A 42 59.213 0.042 10.409 1.00 0.00 C ATOM 658 CG PRO A 42 59.247 -0.183 11.933 1.00 0.00 C ATOM 659 CD PRO A 42 58.366 0.878 12.603 1.00 0.00 C ATOM 0 HA PRO A 42 58.600 1.991 9.575 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.953 -0.884 9.896 1.00 0.00 H new ATOM 0 HB3 PRO A 42 60.198 0.340 10.049 1.00 0.00 H new ATOM 0 HG2 PRO A 42 58.887 -1.183 12.176 1.00 0.00 H new ATOM 0 HG3 PRO A 42 60.270 -0.114 12.303 1.00 0.00 H new ATOM 0 HD2 PRO A 42 57.677 0.438 13.324 1.00 0.00 H new ATOM 0 HD3 PRO A 42 58.959 1.619 13.140 1.00 0.00 H new ATOM 667 N TRP A 43 56.017 0.070 9.663 1.00 0.00 N ATOM 668 CA TRP A 43 54.930 -0.427 8.766 1.00 0.00 C ATOM 669 C TRP A 43 54.088 0.762 8.293 1.00 0.00 C ATOM 670 O TRP A 43 53.809 1.673 9.049 1.00 0.00 O ATOM 671 CB TRP A 43 54.109 -1.385 9.623 1.00 0.00 C ATOM 672 CG TRP A 43 54.954 -2.546 10.023 1.00 0.00 C ATOM 673 CD1 TRP A 43 55.697 -2.587 11.138 1.00 0.00 C ATOM 674 CD2 TRP A 43 55.157 -3.821 9.345 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.349 -3.804 11.204 1.00 0.00 N ATOM 676 CE2 TRP A 43 56.047 -4.602 10.119 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.662 -4.372 8.149 1.00 0.00 C ATOM 678 CZ2 TRP A 43 56.434 -5.883 9.723 1.00 0.00 C ATOM 679 CZ3 TRP A 43 55.049 -5.660 7.747 1.00 0.00 C ATOM 680 CH2 TRP A 43 55.932 -6.414 8.533 1.00 0.00 C ATOM 0 H TRP A 43 55.848 -0.052 10.661 1.00 0.00 H new ATOM 0 HA TRP A 43 55.307 -0.929 7.875 1.00 0.00 H new ATOM 0 HB2 TRP A 43 53.738 -0.870 10.509 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.238 -1.731 9.067 1.00 0.00 H new ATOM 0 HD1 TRP A 43 55.774 -1.795 11.868 1.00 0.00 H new ATOM 0 HE1 TRP A 43 56.976 -4.078 11.961 1.00 0.00 H new ATOM 0 HE3 TRP A 43 53.980 -3.801 7.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 57.116 -6.459 10.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.664 -6.073 6.826 1.00 0.00 H new ATOM 0 HH2 TRP A 43 56.224 -7.405 8.218 1.00 0.00 H new ATOM 691 N TRP A 44 53.719 0.777 7.037 1.00 0.00 N ATOM 692 CA TRP A 44 52.935 1.926 6.493 1.00 0.00 C ATOM 693 C TRP A 44 51.479 1.551 6.214 1.00 0.00 C ATOM 694 O TRP A 44 51.013 0.491 6.569 1.00 0.00 O ATOM 695 CB TRP A 44 53.623 2.243 5.162 1.00 0.00 C ATOM 696 CG TRP A 44 54.964 2.880 5.362 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.506 3.278 6.540 1.00 0.00 C ATOM 698 CD2 TRP A 44 55.933 3.204 4.336 1.00 0.00 C ATOM 699 NE1 TRP A 44 56.758 3.818 6.291 1.00 0.00 N ATOM 700 CE2 TRP A 44 57.064 3.795 4.942 1.00 0.00 C ATOM 701 CE3 TRP A 44 55.932 3.036 2.945 1.00 0.00 C ATOM 702 CZ2 TRP A 44 58.162 4.208 4.185 1.00 0.00 C ATOM 703 CZ3 TRP A 44 57.027 3.447 2.178 1.00 0.00 C ATOM 704 CH2 TRP A 44 58.144 4.033 2.795 1.00 0.00 C ATOM 0 H TRP A 44 53.928 0.040 6.363 1.00 0.00 H new ATOM 0 HA TRP A 44 52.912 2.756 7.199 1.00 0.00 H new ATOM 0 HB2 TRP A 44 53.740 1.325 4.586 1.00 0.00 H new ATOM 0 HB3 TRP A 44 52.989 2.908 4.576 1.00 0.00 H new ATOM 0 HD1 TRP A 44 55.040 3.189 7.510 1.00 0.00 H new ATOM 0 HE1 TRP A 44 57.377 4.187 7.013 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.078 2.585 2.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 59.017 4.658 4.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 57.013 3.313 1.106 1.00 0.00 H new ATOM 0 HH2 TRP A 44 58.988 4.348 2.199 1.00 0.00 H new ATOM 715 N ARG A 45 50.780 2.427 5.542 1.00 0.00 N ATOM 716 CA ARG A 45 49.365 2.170 5.164 1.00 0.00 C ATOM 717 C ARG A 45 49.188 2.662 3.724 1.00 0.00 C ATOM 718 O ARG A 45 48.495 3.624 3.456 1.00 0.00 O ATOM 719 CB ARG A 45 48.523 2.996 6.137 1.00 0.00 C ATOM 720 CG ARG A 45 47.071 2.519 6.092 1.00 0.00 C ATOM 721 CD ARG A 45 46.144 3.657 6.525 1.00 0.00 C ATOM 722 NE ARG A 45 46.469 3.892 7.959 1.00 0.00 N ATOM 723 CZ ARG A 45 45.517 4.176 8.806 1.00 0.00 C ATOM 724 NH1 ARG A 45 44.543 3.330 8.999 1.00 0.00 N ATOM 725 NH2 ARG A 45 45.540 5.305 9.460 1.00 0.00 N ATOM 0 H ARG A 45 51.142 3.329 5.234 1.00 0.00 H new ATOM 0 HA ARG A 45 49.075 1.120 5.214 1.00 0.00 H new ATOM 0 HB2 ARG A 45 48.917 2.898 7.148 1.00 0.00 H new ATOM 0 HB3 ARG A 45 48.578 4.053 5.875 1.00 0.00 H new ATOM 0 HG2 ARG A 45 46.816 2.192 5.084 1.00 0.00 H new ATOM 0 HG3 ARG A 45 46.939 1.659 6.749 1.00 0.00 H new ATOM 0 HD2 ARG A 45 46.315 4.554 5.929 1.00 0.00 H new ATOM 0 HD3 ARG A 45 45.097 3.384 6.397 1.00 0.00 H new ATOM 0 HE ARG A 45 47.435 3.831 8.280 1.00 0.00 H new ATOM 0 HH11 ARG A 45 44.526 2.447 8.488 1.00 0.00 H new ATOM 0 HH12 ARG A 45 43.799 3.551 9.661 1.00 0.00 H new ATOM 0 HH21 ARG A 45 46.302 5.966 9.310 1.00 0.00 H new ATOM 0 HH22 ARG A 45 44.796 5.526 10.122 1.00 0.00 H new ATOM 739 N ALA A 46 49.860 2.019 2.809 1.00 0.00 N ATOM 740 CA ALA A 46 49.815 2.430 1.375 1.00 0.00 C ATOM 741 C ALA A 46 48.900 1.503 0.576 1.00 0.00 C ATOM 742 O ALA A 46 48.399 0.519 1.089 1.00 0.00 O ATOM 743 CB ALA A 46 51.268 2.288 0.901 1.00 0.00 C ATOM 0 H ALA A 46 50.451 1.209 2.998 1.00 0.00 H new ATOM 0 HA ALA A 46 49.424 3.439 1.241 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.337 2.570 -0.150 1.00 0.00 H new ATOM 0 HB2 ALA A 46 51.910 2.939 1.494 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.591 1.254 1.021 1.00 0.00 H new ATOM 749 N ARG A 47 48.685 1.806 -0.681 1.00 0.00 N ATOM 750 CA ARG A 47 47.810 0.936 -1.520 1.00 0.00 C ATOM 751 C ARG A 47 48.566 0.457 -2.755 1.00 0.00 C ATOM 752 O ARG A 47 49.566 1.030 -3.145 1.00 0.00 O ATOM 753 CB ARG A 47 46.636 1.814 -1.937 1.00 0.00 C ATOM 754 CG ARG A 47 45.778 2.143 -0.717 1.00 0.00 C ATOM 755 CD ARG A 47 45.224 3.564 -0.843 1.00 0.00 C ATOM 756 NE ARG A 47 43.833 3.390 -1.347 1.00 0.00 N ATOM 757 CZ ARG A 47 42.883 4.181 -0.928 1.00 0.00 C ATOM 758 NH1 ARG A 47 42.954 5.463 -1.158 1.00 0.00 N ATOM 759 NH2 ARG A 47 41.863 3.689 -0.279 1.00 0.00 N ATOM 0 H ARG A 47 49.078 2.617 -1.159 1.00 0.00 H new ATOM 0 HA ARG A 47 47.483 0.051 -0.974 1.00 0.00 H new ATOM 0 HB2 ARG A 47 47.002 2.733 -2.394 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.035 1.301 -2.688 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.959 1.429 -0.634 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.372 2.054 0.192 1.00 0.00 H new ATOM 0 HD2 ARG A 47 45.235 4.079 0.118 1.00 0.00 H new ATOM 0 HD3 ARG A 47 45.822 4.161 -1.531 1.00 0.00 H new ATOM 0 HE ARG A 47 43.623 2.653 -2.020 1.00 0.00 H new ATOM 0 HH11 ARG A 47 43.752 5.847 -1.665 1.00 0.00 H new ATOM 0 HH12 ARG A 47 42.212 6.082 -0.831 1.00 0.00 H new ATOM 0 HH21 ARG A 47 41.808 2.686 -0.099 1.00 0.00 H new ATOM 0 HH22 ARG A 47 41.121 4.307 0.048 1.00 0.00 H new ATOM 773 N ASP A 48 48.090 -0.589 -3.374 1.00 0.00 N ATOM 774 CA ASP A 48 48.766 -1.119 -4.589 1.00 0.00 C ATOM 775 C ASP A 48 48.068 -0.595 -5.855 1.00 0.00 C ATOM 776 O ASP A 48 47.486 0.475 -5.849 1.00 0.00 O ATOM 777 CB ASP A 48 48.641 -2.644 -4.463 1.00 0.00 C ATOM 778 CG ASP A 48 47.167 -3.075 -4.514 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.314 -2.263 -4.194 1.00 0.00 O ATOM 780 OD2 ASP A 48 46.919 -4.214 -4.876 1.00 0.00 O ATOM 0 H ASP A 48 47.256 -1.101 -3.087 1.00 0.00 H new ATOM 0 HA ASP A 48 49.807 -0.807 -4.668 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.194 -3.127 -5.269 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.089 -2.974 -3.526 1.00 0.00 H new ATOM 785 N LYS A 49 48.121 -1.337 -6.932 1.00 0.00 N ATOM 786 CA LYS A 49 47.464 -0.886 -8.194 1.00 0.00 C ATOM 787 C LYS A 49 46.059 -1.485 -8.300 1.00 0.00 C ATOM 788 O LYS A 49 45.638 -1.919 -9.356 1.00 0.00 O ATOM 789 CB LYS A 49 48.357 -1.413 -9.318 1.00 0.00 C ATOM 790 CG LYS A 49 49.379 -0.341 -9.703 1.00 0.00 C ATOM 791 CD LYS A 49 48.755 0.621 -10.716 1.00 0.00 C ATOM 792 CE LYS A 49 48.666 -0.063 -12.082 1.00 0.00 C ATOM 793 NZ LYS A 49 49.906 0.346 -12.797 1.00 0.00 N ATOM 0 H LYS A 49 48.593 -2.239 -6.991 1.00 0.00 H new ATOM 0 HA LYS A 49 47.353 0.197 -8.237 1.00 0.00 H new ATOM 0 HB2 LYS A 49 48.869 -2.320 -8.995 1.00 0.00 H new ATOM 0 HB3 LYS A 49 47.751 -1.680 -10.184 1.00 0.00 H new ATOM 0 HG2 LYS A 49 49.699 0.206 -8.816 1.00 0.00 H new ATOM 0 HG3 LYS A 49 50.268 -0.807 -10.128 1.00 0.00 H new ATOM 0 HD2 LYS A 49 47.762 0.923 -10.383 1.00 0.00 H new ATOM 0 HD3 LYS A 49 49.355 1.528 -10.790 1.00 0.00 H new ATOM 0 HE2 LYS A 49 48.609 -1.147 -11.978 1.00 0.00 H new ATOM 0 HE3 LYS A 49 47.775 0.253 -12.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 49.919 -0.084 -13.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 49.929 1.382 -12.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 50.738 0.026 -12.261 1.00 0.00 H new ATOM 807 N ASN A 50 45.331 -1.504 -7.212 1.00 0.00 N ATOM 808 CA ASN A 50 43.953 -2.064 -7.235 1.00 0.00 C ATOM 809 C ASN A 50 43.038 -1.289 -6.278 1.00 0.00 C ATOM 810 O ASN A 50 41.991 -1.773 -5.888 1.00 0.00 O ATOM 811 CB ASN A 50 44.107 -3.515 -6.777 1.00 0.00 C ATOM 812 CG ASN A 50 44.833 -4.318 -7.859 1.00 0.00 C ATOM 813 OD1 ASN A 50 44.423 -4.325 -9.004 1.00 0.00 O ATOM 814 ND2 ASN A 50 45.899 -4.999 -7.543 1.00 0.00 N ATOM 0 H ASN A 50 45.638 -1.152 -6.305 1.00 0.00 H new ATOM 0 HA ASN A 50 43.499 -1.993 -8.224 1.00 0.00 H new ATOM 0 HB2 ASN A 50 44.667 -3.555 -5.843 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.128 -3.951 -6.581 1.00 0.00 H new ATOM 0 HD21 ASN A 50 46.390 -5.538 -8.256 1.00 0.00 H new ATOM 0 HD22 ASN A 50 46.242 -4.993 -6.582 1.00 0.00 H new ATOM 821 N GLY A 51 43.420 -0.092 -5.902 1.00 0.00 N ATOM 822 CA GLY A 51 42.569 0.715 -4.976 1.00 0.00 C ATOM 823 C GLY A 51 42.421 -0.015 -3.639 1.00 0.00 C ATOM 824 O GLY A 51 41.427 0.129 -2.953 1.00 0.00 O ATOM 0 H GLY A 51 44.285 0.360 -6.198 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.017 1.696 -4.818 1.00 0.00 H new ATOM 0 HA3 GLY A 51 41.588 0.881 -5.421 1.00 0.00 H new ATOM 828 N GLN A 52 43.403 -0.795 -3.265 1.00 0.00 N ATOM 829 CA GLN A 52 43.327 -1.538 -1.971 1.00 0.00 C ATOM 830 C GLN A 52 44.455 -1.089 -1.038 1.00 0.00 C ATOM 831 O GLN A 52 45.611 -1.071 -1.417 1.00 0.00 O ATOM 832 CB GLN A 52 43.496 -3.009 -2.349 1.00 0.00 C ATOM 833 CG GLN A 52 42.123 -3.625 -2.630 1.00 0.00 C ATOM 834 CD GLN A 52 42.243 -5.150 -2.650 1.00 0.00 C ATOM 835 OE1 GLN A 52 43.231 -5.687 -3.110 1.00 0.00 O ATOM 836 NE2 GLN A 52 41.271 -5.875 -2.170 1.00 0.00 N ATOM 0 H GLN A 52 44.257 -0.950 -3.802 1.00 0.00 H new ATOM 0 HA GLN A 52 42.389 -1.358 -1.445 1.00 0.00 H new ATOM 0 HB2 GLN A 52 44.133 -3.099 -3.229 1.00 0.00 H new ATOM 0 HB3 GLN A 52 43.990 -3.549 -1.541 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.410 -3.316 -1.866 1.00 0.00 H new ATOM 0 HG3 GLN A 52 41.741 -3.267 -3.586 1.00 0.00 H new ATOM 0 HE21 GLN A 52 40.441 -5.424 -1.784 1.00 0.00 H new ATOM 0 HE22 GLN A 52 41.340 -6.893 -2.181 1.00 0.00 H new ATOM 845 N GLU A 53 44.126 -0.729 0.176 1.00 0.00 N ATOM 846 CA GLU A 53 45.177 -0.280 1.142 1.00 0.00 C ATOM 847 C GLU A 53 45.553 -1.422 2.088 1.00 0.00 C ATOM 848 O GLU A 53 44.785 -2.342 2.299 1.00 0.00 O ATOM 849 CB GLU A 53 44.548 0.886 1.917 1.00 0.00 C ATOM 850 CG GLU A 53 43.275 0.421 2.636 1.00 0.00 C ATOM 851 CD GLU A 53 42.929 1.412 3.749 1.00 0.00 C ATOM 852 OE1 GLU A 53 42.332 2.432 3.443 1.00 0.00 O ATOM 853 OE2 GLU A 53 43.266 1.135 4.887 1.00 0.00 O ATOM 0 H GLU A 53 43.174 -0.726 0.542 1.00 0.00 H new ATOM 0 HA GLU A 53 46.094 0.024 0.636 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.262 1.277 2.642 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.311 1.701 1.233 1.00 0.00 H new ATOM 0 HG2 GLU A 53 42.449 0.350 1.928 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.423 -0.575 3.054 1.00 0.00 H new ATOM 860 N GLY A 54 46.730 -1.366 2.660 1.00 0.00 N ATOM 861 CA GLY A 54 47.160 -2.445 3.596 1.00 0.00 C ATOM 862 C GLY A 54 48.444 -2.005 4.288 1.00 0.00 C ATOM 863 O GLY A 54 48.813 -0.846 4.227 1.00 0.00 O ATOM 0 H GLY A 54 47.410 -0.619 2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.381 -2.639 4.333 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.323 -3.375 3.052 1.00 0.00 H new ATOM 867 N TYR A 55 49.128 -2.906 4.945 1.00 0.00 N ATOM 868 CA TYR A 55 50.386 -2.506 5.636 1.00 0.00 C ATOM 869 C TYR A 55 51.616 -2.814 4.776 1.00 0.00 C ATOM 870 O TYR A 55 51.656 -3.782 4.042 1.00 0.00 O ATOM 871 CB TYR A 55 50.412 -3.295 6.946 1.00 0.00 C ATOM 872 CG TYR A 55 49.733 -2.492 8.029 1.00 0.00 C ATOM 873 CD1 TYR A 55 50.418 -1.445 8.659 1.00 0.00 C ATOM 874 CD2 TYR A 55 48.419 -2.793 8.405 1.00 0.00 C ATOM 875 CE1 TYR A 55 49.788 -0.700 9.664 1.00 0.00 C ATOM 876 CE2 TYR A 55 47.789 -2.049 9.410 1.00 0.00 C ATOM 877 CZ TYR A 55 48.473 -1.002 10.039 1.00 0.00 C ATOM 878 OH TYR A 55 47.853 -0.269 11.029 1.00 0.00 O ATOM 0 H TYR A 55 48.873 -3.890 5.032 1.00 0.00 H new ATOM 0 HA TYR A 55 50.413 -1.432 5.820 1.00 0.00 H new ATOM 0 HB2 TYR A 55 49.907 -4.252 6.817 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.441 -3.514 7.231 1.00 0.00 H new ATOM 0 HD1 TYR A 55 51.432 -1.212 8.370 1.00 0.00 H new ATOM 0 HD2 TYR A 55 47.890 -3.600 7.919 1.00 0.00 H new ATOM 0 HE1 TYR A 55 50.316 0.107 10.150 1.00 0.00 H new ATOM 0 HE2 TYR A 55 46.775 -2.283 9.700 1.00 0.00 H new ATOM 0 HH TYR A 55 46.944 -0.608 11.166 1.00 0.00 H new ATOM 888 N ILE A 56 52.613 -1.968 4.860 1.00 0.00 N ATOM 889 CA ILE A 56 53.855 -2.155 4.051 1.00 0.00 C ATOM 890 C ILE A 56 55.088 -1.711 4.878 1.00 0.00 C ATOM 891 O ILE A 56 55.200 -0.540 5.187 1.00 0.00 O ATOM 892 CB ILE A 56 53.654 -1.211 2.860 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.471 -1.701 2.024 1.00 0.00 C ATOM 894 CG2 ILE A 56 54.908 -1.167 1.988 1.00 0.00 C ATOM 895 CD1 ILE A 56 51.202 -0.975 2.462 1.00 0.00 C ATOM 0 H ILE A 56 52.618 -1.145 5.463 1.00 0.00 H new ATOM 0 HA ILE A 56 54.023 -3.189 3.751 1.00 0.00 H new ATOM 0 HB ILE A 56 53.457 -0.207 3.237 1.00 0.00 H new ATOM 0 HG12 ILE A 56 52.660 -1.519 0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.347 -2.777 2.145 1.00 0.00 H new ATOM 0 HG21 ILE A 56 54.744 -0.491 1.149 1.00 0.00 H new ATOM 0 HG22 ILE A 56 55.751 -0.811 2.581 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.125 -2.167 1.612 1.00 0.00 H new ATOM 0 HD11 ILE A 56 50.359 -1.324 1.866 1.00 0.00 H new ATOM 0 HD12 ILE A 56 51.011 -1.179 3.516 1.00 0.00 H new ATOM 0 HD13 ILE A 56 51.328 0.098 2.318 1.00 0.00 H new ATOM 907 N PRO A 57 55.993 -2.625 5.206 1.00 0.00 N ATOM 908 CA PRO A 57 57.198 -2.228 5.981 1.00 0.00 C ATOM 909 C PRO A 57 58.006 -1.182 5.198 1.00 0.00 C ATOM 910 O PRO A 57 58.170 -1.288 3.998 1.00 0.00 O ATOM 911 CB PRO A 57 57.967 -3.546 6.118 1.00 0.00 C ATOM 912 CG PRO A 57 57.168 -4.661 5.419 1.00 0.00 C ATOM 913 CD PRO A 57 55.879 -4.063 4.844 1.00 0.00 C ATOM 0 HA PRO A 57 56.975 -1.771 6.945 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.957 -3.454 5.671 1.00 0.00 H new ATOM 0 HB3 PRO A 57 58.114 -3.790 7.170 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.763 -5.109 4.623 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.932 -5.456 6.127 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.814 -4.205 3.765 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.991 -4.521 5.280 1.00 0.00 H new ATOM 921 N SER A 58 58.495 -0.169 5.869 1.00 0.00 N ATOM 922 CA SER A 58 59.279 0.897 5.165 1.00 0.00 C ATOM 923 C SER A 58 60.565 0.325 4.560 1.00 0.00 C ATOM 924 O SER A 58 61.099 0.862 3.608 1.00 0.00 O ATOM 925 CB SER A 58 59.612 1.929 6.245 1.00 0.00 C ATOM 926 OG SER A 58 60.421 2.953 5.681 1.00 0.00 O ATOM 0 H SER A 58 58.386 -0.032 6.874 1.00 0.00 H new ATOM 0 HA SER A 58 58.714 1.331 4.340 1.00 0.00 H new ATOM 0 HB2 SER A 58 58.695 2.356 6.652 1.00 0.00 H new ATOM 0 HB3 SER A 58 60.135 1.450 7.073 1.00 0.00 H new ATOM 0 HG SER A 58 59.976 3.323 4.890 1.00 0.00 H new ATOM 932 N ASN A 59 61.067 -0.750 5.108 1.00 0.00 N ATOM 933 CA ASN A 59 62.325 -1.353 4.572 1.00 0.00 C ATOM 934 C ASN A 59 62.029 -2.194 3.327 1.00 0.00 C ATOM 935 O ASN A 59 62.779 -2.200 2.371 1.00 0.00 O ATOM 936 CB ASN A 59 62.859 -2.218 5.726 1.00 0.00 C ATOM 937 CG ASN A 59 61.983 -3.461 5.945 1.00 0.00 C ATOM 938 OD1 ASN A 59 62.207 -4.490 5.339 1.00 0.00 O ATOM 939 ND2 ASN A 59 60.993 -3.404 6.792 1.00 0.00 N ATOM 0 H ASN A 59 60.660 -1.238 5.906 1.00 0.00 H new ATOM 0 HA ASN A 59 63.052 -0.604 4.259 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.882 -2.525 5.509 1.00 0.00 H new ATOM 0 HB3 ASN A 59 62.891 -1.627 6.641 1.00 0.00 H new ATOM 0 HD21 ASN A 59 60.406 -4.224 6.946 1.00 0.00 H new ATOM 0 HD22 ASN A 59 60.806 -2.540 7.300 1.00 0.00 H new ATOM 946 N TYR A 60 60.942 -2.908 3.356 1.00 0.00 N ATOM 947 CA TYR A 60 60.571 -3.779 2.196 1.00 0.00 C ATOM 948 C TYR A 60 60.400 -2.951 0.916 1.00 0.00 C ATOM 949 O TYR A 60 60.655 -3.431 -0.172 1.00 0.00 O ATOM 950 CB TYR A 60 59.242 -4.433 2.592 1.00 0.00 C ATOM 951 CG TYR A 60 59.476 -5.874 2.987 1.00 0.00 C ATOM 952 CD1 TYR A 60 59.972 -6.179 4.261 1.00 0.00 C ATOM 953 CD2 TYR A 60 59.199 -6.902 2.079 1.00 0.00 C ATOM 954 CE1 TYR A 60 60.191 -7.513 4.626 1.00 0.00 C ATOM 955 CE2 TYR A 60 59.417 -8.236 2.444 1.00 0.00 C ATOM 956 CZ TYR A 60 59.913 -8.542 3.717 1.00 0.00 C ATOM 957 OH TYR A 60 60.128 -9.856 4.077 1.00 0.00 O ATOM 0 H TYR A 60 60.286 -2.930 4.137 1.00 0.00 H new ATOM 0 HA TYR A 60 61.346 -4.516 1.985 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.791 -3.888 3.421 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.540 -4.384 1.759 1.00 0.00 H new ATOM 0 HD1 TYR A 60 60.185 -5.385 4.962 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.817 -6.666 1.097 1.00 0.00 H new ATOM 0 HE1 TYR A 60 60.574 -7.748 5.608 1.00 0.00 H new ATOM 0 HE2 TYR A 60 59.202 -9.029 1.743 1.00 0.00 H new ATOM 0 HH TYR A 60 59.883 -10.444 3.332 1.00 0.00 H new ATOM 967 N VAL A 61 59.966 -1.720 1.030 1.00 0.00 N ATOM 968 CA VAL A 61 59.778 -0.880 -0.196 1.00 0.00 C ATOM 969 C VAL A 61 60.844 0.215 -0.281 1.00 0.00 C ATOM 970 O VAL A 61 61.543 0.498 0.673 1.00 0.00 O ATOM 971 CB VAL A 61 58.385 -0.254 -0.074 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.328 -1.359 -0.083 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.282 0.540 1.233 1.00 0.00 C ATOM 0 H VAL A 61 59.735 -1.262 1.912 1.00 0.00 H new ATOM 0 HA VAL A 61 59.871 -1.484 -1.099 1.00 0.00 H new ATOM 0 HB VAL A 61 58.220 0.419 -0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.336 -0.915 0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.395 -1.919 -1.016 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.499 -2.032 0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.289 0.982 1.313 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.451 -0.127 2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 61 59.033 1.330 1.239 1.00 0.00 H new ATOM 983 N THR A 62 60.961 0.830 -1.428 1.00 0.00 N ATOM 984 CA THR A 62 61.964 1.918 -1.617 1.00 0.00 C ATOM 985 C THR A 62 61.330 3.043 -2.459 1.00 0.00 C ATOM 986 O THR A 62 60.204 3.426 -2.213 1.00 0.00 O ATOM 987 CB THR A 62 63.142 1.241 -2.336 1.00 0.00 C ATOM 988 OG1 THR A 62 64.167 2.198 -2.563 1.00 0.00 O ATOM 989 CG2 THR A 62 62.677 0.664 -3.677 1.00 0.00 C ATOM 0 H THR A 62 60.397 0.622 -2.252 1.00 0.00 H new ATOM 0 HA THR A 62 62.297 2.379 -0.687 1.00 0.00 H new ATOM 0 HB THR A 62 63.524 0.432 -1.714 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.447 2.161 -3.501 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.518 0.186 -4.179 1.00 0.00 H new ATOM 0 HG22 THR A 62 61.892 -0.072 -3.504 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.289 1.467 -4.304 1.00 0.00 H new ATOM 997 N GLU A 63 62.018 3.575 -3.444 1.00 0.00 N ATOM 998 CA GLU A 63 61.413 4.659 -4.276 1.00 0.00 C ATOM 999 C GLU A 63 60.642 4.044 -5.446 1.00 0.00 C ATOM 1000 O GLU A 63 61.090 3.100 -6.064 1.00 0.00 O ATOM 1001 CB GLU A 63 62.597 5.491 -4.778 1.00 0.00 C ATOM 1002 CG GLU A 63 62.664 6.815 -4.006 1.00 0.00 C ATOM 1003 CD GLU A 63 62.004 7.924 -4.828 1.00 0.00 C ATOM 1004 OE1 GLU A 63 61.011 7.642 -5.478 1.00 0.00 O ATOM 1005 OE2 GLU A 63 62.503 9.037 -4.793 1.00 0.00 O ATOM 0 H GLU A 63 62.967 3.305 -3.704 1.00 0.00 H new ATOM 0 HA GLU A 63 60.707 5.271 -3.715 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.526 4.935 -4.647 1.00 0.00 H new ATOM 0 HB3 GLU A 63 62.490 5.686 -5.845 1.00 0.00 H new ATOM 0 HG2 GLU A 63 62.161 6.713 -3.045 1.00 0.00 H new ATOM 0 HG3 GLU A 63 63.702 7.073 -3.796 1.00 0.00 H new ATOM 1012 N ALA A 64 59.477 4.570 -5.741 1.00 0.00 N ATOM 1013 CA ALA A 64 58.638 4.020 -6.862 1.00 0.00 C ATOM 1014 C ALA A 64 59.470 3.785 -8.133 1.00 0.00 C ATOM 1015 O ALA A 64 59.155 2.934 -8.942 1.00 0.00 O ATOM 1016 CB ALA A 64 57.578 5.088 -7.121 1.00 0.00 C ATOM 0 H ALA A 64 59.065 5.364 -5.251 1.00 0.00 H new ATOM 0 HA ALA A 64 58.209 3.054 -6.596 1.00 0.00 H new ATOM 0 HB1 ALA A 64 56.923 4.762 -7.929 1.00 0.00 H new ATOM 0 HB2 ALA A 64 56.990 5.244 -6.217 1.00 0.00 H new ATOM 0 HB3 ALA A 64 58.064 6.022 -7.403 1.00 0.00 H new ATOM 1022 N GLU A 65 60.527 4.538 -8.310 1.00 0.00 N ATOM 1023 CA GLU A 65 61.381 4.366 -9.523 1.00 0.00 C ATOM 1024 C GLU A 65 62.862 4.368 -9.133 1.00 0.00 C ATOM 1025 O GLU A 65 63.633 3.546 -9.591 1.00 0.00 O ATOM 1026 CB GLU A 65 61.057 5.569 -10.409 1.00 0.00 C ATOM 1027 CG GLU A 65 59.689 5.366 -11.064 1.00 0.00 C ATOM 1028 CD GLU A 65 59.033 6.726 -11.311 1.00 0.00 C ATOM 1029 OE1 GLU A 65 58.867 7.464 -10.353 1.00 0.00 O ATOM 1030 OE2 GLU A 65 58.707 7.007 -12.452 1.00 0.00 O ATOM 0 H GLU A 65 60.835 5.266 -7.665 1.00 0.00 H new ATOM 0 HA GLU A 65 61.189 3.422 -10.032 1.00 0.00 H new ATOM 0 HB2 GLU A 65 61.055 6.482 -9.814 1.00 0.00 H new ATOM 0 HB3 GLU A 65 61.824 5.688 -11.174 1.00 0.00 H new ATOM 0 HG2 GLU A 65 59.801 4.828 -12.006 1.00 0.00 H new ATOM 0 HG3 GLU A 65 59.054 4.755 -10.422 1.00 0.00 H new ATOM 1037 N ASP A 66 63.264 5.290 -8.290 1.00 0.00 N ATOM 1038 CA ASP A 66 64.699 5.363 -7.856 1.00 0.00 C ATOM 1039 C ASP A 66 65.635 5.408 -9.072 1.00 0.00 C ATOM 1040 O ASP A 66 66.112 4.391 -9.536 1.00 0.00 O ATOM 1041 CB ASP A 66 64.943 4.091 -7.038 1.00 0.00 C ATOM 1042 CG ASP A 66 66.299 4.186 -6.336 1.00 0.00 C ATOM 1043 OD1 ASP A 66 67.210 4.747 -6.922 1.00 0.00 O ATOM 1044 OD2 ASP A 66 66.403 3.697 -5.223 1.00 0.00 O ATOM 0 H ASP A 66 62.657 6.000 -7.881 1.00 0.00 H new ATOM 0 HA ASP A 66 64.897 6.264 -7.276 1.00 0.00 H new ATOM 0 HB2 ASP A 66 64.149 3.962 -6.302 1.00 0.00 H new ATOM 0 HB3 ASP A 66 64.919 3.217 -7.689 1.00 0.00 H new ATOM 1049 N SER A 67 65.897 6.586 -9.589 1.00 0.00 N ATOM 1050 CA SER A 67 66.802 6.720 -10.779 1.00 0.00 C ATOM 1051 C SER A 67 66.338 5.807 -11.921 1.00 0.00 C ATOM 1052 O SER A 67 67.092 5.642 -12.865 1.00 0.00 O ATOM 1053 CB SER A 67 68.189 6.301 -10.288 1.00 0.00 C ATOM 1054 OG SER A 67 68.565 7.119 -9.188 1.00 0.00 O ATOM 1055 OXT SER A 67 65.235 5.291 -11.830 1.00 0.00 O ATOM 0 H SER A 67 65.521 7.466 -9.236 1.00 0.00 H new ATOM 0 HA SER A 67 66.801 7.737 -11.171 1.00 0.00 H new ATOM 0 HB2 SER A 67 68.181 5.253 -9.990 1.00 0.00 H new ATOM 0 HB3 SER A 67 68.917 6.398 -11.093 1.00 0.00 H new ATOM 0 HG SER A 67 69.453 6.852 -8.870 1.00 0.00 H new TER 1061 SER A 67