USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 649 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 8 TYR OH : rot 15:sc= 0.651 USER MOD Set 1.2: A 17 SER OG : rot -122:sc= 1.8 USER MOD Single : A 3 LYS NZ :NH3+ -133:sc= 0.492 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= -0.383 USER MOD Single : A 26 ASN : amide:sc= -0.0849 K(o=-0.085,f=-4.6!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -160:sc= 0.25 USER MOD Single : A 32 SER OG : rot -85:sc= 0.652 USER MOD Single : A 37 ASN : amide:sc= -2.22! C(o=-2.2!,f=-5.3!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -90:sc= -0.67 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -1.22 K(o=-1.2,f=-2.6) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 57 ASN : amide:sc= -0.055 K(o=-0.055,f=-0.9) USER MOD Single : A 58 ASN : amide:sc= 0.174 K(o=0.17,f=-0.7) USER MOD Single : A 60 LYS NZ :NH3+ 176:sc= 0.0606 (180deg=0.0574) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.05 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= -0.0835 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 80 SER OG : rot 92:sc= 0.661 USER MOD Single : A 81 SER OG : rot 54:sc= 0.99 USER MOD Single : A 85 SER OG : rot -38:sc= -0.22! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl 180:sc= -0.0796 (180deg=-0.0796) USER MOD ----------------------------------------------------------------- ATOM 23 N LYS A 3 4.529 3.823 1.656 1.00 71.22 N ATOM 24 CA LYS A 3 5.351 4.464 0.637 1.00 65.23 C ATOM 25 C LYS A 3 6.621 5.046 1.249 1.00 24.13 C ATOM 26 O LYS A 3 6.570 6.013 2.010 1.00 32.12 O ATOM 27 CB LYS A 3 4.560 5.568 -0.067 1.00 55.11 C ATOM 28 CG LYS A 3 4.344 5.312 -1.549 1.00 13.04 C ATOM 29 CD LYS A 3 2.881 5.044 -1.861 1.00 30.01 C ATOM 30 CE LYS A 3 2.727 4.099 -3.043 1.00 45.51 C ATOM 31 NZ LYS A 3 1.732 4.603 -4.030 1.00 21.03 N ATOM 0 HA LYS A 3 5.634 3.706 -0.094 1.00 65.23 H new ATOM 0 HB2 LYS A 3 3.591 5.675 0.420 1.00 55.11 H new ATOM 0 HB3 LYS A 3 5.085 6.515 0.057 1.00 55.11 H new ATOM 0 HG2 LYS A 3 4.687 6.173 -2.122 1.00 13.04 H new ATOM 0 HG3 LYS A 3 4.946 4.460 -1.864 1.00 13.04 H new ATOM 0 HD2 LYS A 3 2.394 4.615 -0.985 1.00 30.01 H new ATOM 0 HD3 LYS A 3 2.376 5.985 -2.078 1.00 30.01 H new ATOM 0 HE2 LYS A 3 3.692 3.970 -3.533 1.00 45.51 H new ATOM 0 HE3 LYS A 3 2.418 3.117 -2.685 1.00 45.51 H new ATOM 0 HZ1 LYS A 3 1.085 3.833 -4.295 1.00 21.03 H new ATOM 0 HZ2 LYS A 3 1.188 5.382 -3.608 1.00 21.03 H new ATOM 0 HZ3 LYS A 3 2.227 4.946 -4.878 1.00 21.03 H new ATOM 45 N THR A 4 7.762 4.452 0.912 1.00 70.11 N ATOM 46 CA THR A 4 9.045 4.912 1.428 1.00 31.43 C ATOM 47 C THR A 4 10.165 4.652 0.428 1.00 42.34 C ATOM 48 O THR A 4 10.068 3.755 -0.410 1.00 1.03 O ATOM 49 CB THR A 4 9.393 4.223 2.761 1.00 22.04 C ATOM 50 OG1 THR A 4 9.590 2.820 2.552 1.00 53.24 O ATOM 51 CG2 THR A 4 8.290 4.438 3.786 1.00 34.01 C ATOM 0 H THR A 4 7.823 3.651 0.284 1.00 70.11 H new ATOM 0 HA THR A 4 8.952 5.985 1.595 1.00 31.43 H new ATOM 0 HB THR A 4 10.313 4.665 3.143 1.00 22.04 H new ATOM 0 HG1 THR A 4 9.812 2.390 3.404 1.00 53.24 H new ATOM 0 HG21 THR A 4 8.559 3.942 4.719 1.00 34.01 H new ATOM 0 HG22 THR A 4 8.163 5.506 3.966 1.00 34.01 H new ATOM 0 HG23 THR A 4 7.356 4.020 3.409 1.00 34.01 H new ATOM 59 N VAL A 5 11.230 5.443 0.520 1.00 52.11 N ATOM 60 CA VAL A 5 12.370 5.298 -0.377 1.00 22.43 C ATOM 61 C VAL A 5 13.432 4.386 0.228 1.00 2.43 C ATOM 62 O VAL A 5 13.797 4.529 1.396 1.00 41.05 O ATOM 63 CB VAL A 5 13.006 6.662 -0.703 1.00 14.33 C ATOM 64 CG1 VAL A 5 13.338 7.416 0.576 1.00 22.31 C ATOM 65 CG2 VAL A 5 14.248 6.480 -1.562 1.00 75.40 C ATOM 0 H VAL A 5 11.327 6.191 1.207 1.00 52.11 H new ATOM 0 HA VAL A 5 11.993 4.853 -1.298 1.00 22.43 H new ATOM 0 HB VAL A 5 12.285 7.253 -1.268 1.00 14.33 H new ATOM 0 HG11 VAL A 5 13.787 8.377 0.326 1.00 22.31 H new ATOM 0 HG12 VAL A 5 12.425 7.580 1.149 1.00 22.31 H new ATOM 0 HG13 VAL A 5 14.040 6.832 1.171 1.00 22.31 H new ATOM 0 HG21 VAL A 5 14.684 7.454 -1.782 1.00 75.40 H new ATOM 0 HG22 VAL A 5 14.975 5.870 -1.026 1.00 75.40 H new ATOM 0 HG23 VAL A 5 13.976 5.985 -2.494 1.00 75.40 H new ATOM 75 N LYS A 6 13.926 3.449 -0.573 1.00 60.14 N ATOM 76 CA LYS A 6 14.948 2.514 -0.119 1.00 64.21 C ATOM 77 C LYS A 6 16.325 2.919 -0.636 1.00 50.41 C ATOM 78 O LYS A 6 16.634 2.742 -1.815 1.00 73.42 O ATOM 79 CB LYS A 6 14.614 1.095 -0.585 1.00 65.04 C ATOM 80 CG LYS A 6 14.343 0.128 0.554 1.00 15.42 C ATOM 81 CD LYS A 6 14.342 -1.313 0.074 1.00 34.34 C ATOM 82 CE LYS A 6 12.970 -1.952 0.232 1.00 24.44 C ATOM 83 NZ LYS A 6 13.068 -3.382 0.638 1.00 41.10 N ATOM 0 H LYS A 6 13.635 3.317 -1.542 1.00 60.14 H new ATOM 0 HA LYS A 6 14.967 2.537 0.971 1.00 64.21 H new ATOM 0 HB2 LYS A 6 13.740 1.132 -1.235 1.00 65.04 H new ATOM 0 HB3 LYS A 6 15.441 0.714 -1.184 1.00 65.04 H new ATOM 0 HG2 LYS A 6 15.101 0.254 1.328 1.00 15.42 H new ATOM 0 HG3 LYS A 6 13.381 0.361 1.009 1.00 15.42 H new ATOM 0 HD2 LYS A 6 14.643 -1.349 -0.973 1.00 34.34 H new ATOM 0 HD3 LYS A 6 15.079 -1.886 0.637 1.00 34.34 H new ATOM 0 HE2 LYS A 6 12.396 -1.401 0.977 1.00 24.44 H new ATOM 0 HE3 LYS A 6 12.424 -1.878 -0.709 1.00 24.44 H new ATOM 0 HZ1 LYS A 6 12.113 -3.782 0.735 1.00 41.10 H new ATOM 0 HZ2 LYS A 6 13.593 -3.913 -0.086 1.00 41.10 H new ATOM 0 HZ3 LYS A 6 13.566 -3.451 1.548 1.00 41.10 H new ATOM 97 N LEU A 7 17.149 3.463 0.253 1.00 52.43 N ATOM 98 CA LEU A 7 18.494 3.893 -0.114 1.00 21.24 C ATOM 99 C LEU A 7 19.501 2.766 0.093 1.00 33.33 C ATOM 100 O LEU A 7 19.540 2.142 1.154 1.00 23.12 O ATOM 101 CB LEU A 7 18.903 5.115 0.711 1.00 72.31 C ATOM 102 CG LEU A 7 17.952 6.311 0.655 1.00 33.33 C ATOM 103 CD1 LEU A 7 18.522 7.483 1.438 1.00 11.13 C ATOM 104 CD2 LEU A 7 17.682 6.711 -0.788 1.00 4.31 C ATOM 0 H LEU A 7 16.910 3.617 1.233 1.00 52.43 H new ATOM 0 HA LEU A 7 18.488 4.161 -1.171 1.00 21.24 H new ATOM 0 HB2 LEU A 7 19.007 4.808 1.752 1.00 72.31 H new ATOM 0 HB3 LEU A 7 19.887 5.443 0.375 1.00 72.31 H new ATOM 0 HG LEU A 7 17.006 6.021 1.113 1.00 33.33 H new ATOM 0 HD11 LEU A 7 17.832 8.325 1.387 1.00 11.13 H new ATOM 0 HD12 LEU A 7 18.662 7.191 2.479 1.00 11.13 H new ATOM 0 HD13 LEU A 7 19.481 7.774 1.010 1.00 11.13 H new ATOM 0 HD21 LEU A 7 17.003 7.564 -0.808 1.00 4.31 H new ATOM 0 HD22 LEU A 7 18.620 6.982 -1.272 1.00 4.31 H new ATOM 0 HD23 LEU A 7 17.229 5.874 -1.319 1.00 4.31 H new ATOM 116 N TYR A 8 20.314 2.511 -0.926 1.00 12.42 N ATOM 117 CA TYR A 8 21.321 1.459 -0.856 1.00 11.30 C ATOM 118 C TYR A 8 22.721 2.031 -1.058 1.00 72.03 C ATOM 119 O TYR A 8 22.921 2.941 -1.862 1.00 14.44 O ATOM 120 CB TYR A 8 21.040 0.385 -1.908 1.00 32.34 C ATOM 121 CG TYR A 8 20.265 -0.798 -1.373 1.00 33.14 C ATOM 122 CD1 TYR A 8 20.875 -1.740 -0.553 1.00 71.14 C ATOM 123 CD2 TYR A 8 18.923 -0.974 -1.687 1.00 31.32 C ATOM 124 CE1 TYR A 8 20.171 -2.823 -0.063 1.00 0.14 C ATOM 125 CE2 TYR A 8 18.211 -2.053 -1.199 1.00 71.14 C ATOM 126 CZ TYR A 8 18.839 -2.975 -0.388 1.00 43.30 C ATOM 127 OH TYR A 8 18.134 -4.051 0.098 1.00 32.53 O ATOM 0 H TYR A 8 20.295 3.019 -1.811 1.00 12.42 H new ATOM 0 HA TYR A 8 21.272 1.009 0.135 1.00 11.30 H new ATOM 0 HB2 TYR A 8 20.483 0.832 -2.731 1.00 32.34 H new ATOM 0 HB3 TYR A 8 21.987 0.033 -2.318 1.00 32.34 H new ATOM 0 HD1 TYR A 8 21.917 -1.623 -0.294 1.00 71.14 H new ATOM 0 HD2 TYR A 8 18.428 -0.255 -2.323 1.00 31.32 H new ATOM 0 HE1 TYR A 8 20.661 -3.547 0.571 1.00 0.14 H new ATOM 0 HE2 TYR A 8 17.168 -2.174 -1.451 1.00 71.14 H new ATOM 0 HH TYR A 8 18.636 -4.468 0.829 1.00 32.53 H new ATOM 137 N GLU A 9 23.686 1.488 -0.323 1.00 45.32 N ATOM 138 CA GLU A 9 25.068 1.944 -0.421 1.00 41.15 C ATOM 139 C GLU A 9 25.804 1.212 -1.540 1.00 24.34 C ATOM 140 O GLU A 9 26.668 1.782 -2.206 1.00 3.10 O ATOM 141 CB GLU A 9 25.795 1.730 0.908 1.00 12.40 C ATOM 142 CG GLU A 9 26.064 0.269 1.227 1.00 54.33 C ATOM 143 CD GLU A 9 25.944 -0.036 2.707 1.00 24.41 C ATOM 144 OE1 GLU A 9 26.307 0.836 3.524 1.00 51.55 O ATOM 145 OE2 GLU A 9 25.489 -1.148 3.049 1.00 3.44 O ATOM 0 H GLU A 9 23.537 0.733 0.346 1.00 45.32 H new ATOM 0 HA GLU A 9 25.057 3.009 -0.653 1.00 41.15 H new ATOM 0 HB2 GLU A 9 26.742 2.268 0.885 1.00 12.40 H new ATOM 0 HB3 GLU A 9 25.201 2.165 1.712 1.00 12.40 H new ATOM 0 HG2 GLU A 9 25.363 -0.355 0.673 1.00 54.33 H new ATOM 0 HG3 GLU A 9 27.065 0.005 0.885 1.00 54.33 H new ATOM 152 N ASP A 10 25.456 -0.055 -1.738 1.00 44.23 N ATOM 153 CA ASP A 10 26.083 -0.866 -2.775 1.00 61.24 C ATOM 154 C ASP A 10 25.235 -0.878 -4.043 1.00 53.32 C ATOM 155 O ASP A 10 24.011 -1.006 -3.984 1.00 63.40 O ATOM 156 CB ASP A 10 26.295 -2.296 -2.276 1.00 31.13 C ATOM 157 CG ASP A 10 27.740 -2.741 -2.389 1.00 11.10 C ATOM 158 OD1 ASP A 10 28.443 -2.249 -3.297 1.00 0.04 O ATOM 159 OD2 ASP A 10 28.168 -3.580 -1.570 1.00 32.24 O ATOM 0 H ASP A 10 24.744 -0.542 -1.194 1.00 44.23 H new ATOM 0 HA ASP A 10 27.051 -0.424 -3.011 1.00 61.24 H new ATOM 0 HB2 ASP A 10 25.977 -2.366 -1.236 1.00 31.13 H new ATOM 0 HB3 ASP A 10 25.663 -2.975 -2.849 1.00 31.13 H new ATOM 164 N THR A 11 25.892 -0.741 -5.191 1.00 2.04 N ATOM 165 CA THR A 11 25.199 -0.733 -6.473 1.00 31.25 C ATOM 166 C THR A 11 24.281 -1.942 -6.608 1.00 73.54 C ATOM 167 O THR A 11 24.456 -2.948 -5.919 1.00 74.03 O ATOM 168 CB THR A 11 26.193 -0.723 -7.649 1.00 22.21 C ATOM 169 OG1 THR A 11 26.857 -1.989 -7.740 1.00 52.23 O ATOM 170 CG2 THR A 11 27.223 0.384 -7.478 1.00 34.31 C ATOM 0 H THR A 11 26.904 -0.634 -5.259 1.00 2.04 H new ATOM 0 HA THR A 11 24.602 0.179 -6.505 1.00 31.25 H new ATOM 0 HB THR A 11 25.634 -0.539 -8.567 1.00 22.21 H new ATOM 0 HG1 THR A 11 27.486 -1.975 -8.491 1.00 52.23 H new ATOM 0 HG21 THR A 11 27.914 0.371 -8.321 1.00 34.31 H new ATOM 0 HG22 THR A 11 26.717 1.349 -7.438 1.00 34.31 H new ATOM 0 HG23 THR A 11 27.777 0.226 -6.552 1.00 34.31 H new ATOM 178 N HIS A 12 23.302 -1.839 -7.502 1.00 34.05 N ATOM 179 CA HIS A 12 22.356 -2.926 -7.729 1.00 31.04 C ATOM 180 C HIS A 12 21.530 -3.198 -6.475 1.00 55.11 C ATOM 181 O HIS A 12 21.077 -4.320 -6.249 1.00 23.43 O ATOM 182 CB HIS A 12 23.097 -4.195 -8.150 1.00 71.22 C ATOM 183 CG HIS A 12 22.465 -4.901 -9.310 1.00 55.42 C ATOM 184 ND1 HIS A 12 21.233 -5.517 -9.236 1.00 41.30 N ATOM 185 CD2 HIS A 12 22.900 -5.084 -10.579 1.00 34.32 C ATOM 186 CE1 HIS A 12 20.939 -6.050 -10.408 1.00 72.21 C ATOM 187 NE2 HIS A 12 21.934 -5.802 -11.241 1.00 13.43 N ATOM 0 H HIS A 12 23.143 -1.014 -8.081 1.00 34.05 H new ATOM 0 HA HIS A 12 21.681 -2.626 -8.530 1.00 31.04 H new ATOM 0 HB2 HIS A 12 24.124 -3.937 -8.408 1.00 71.22 H new ATOM 0 HB3 HIS A 12 23.143 -4.877 -7.301 1.00 71.22 H new ATOM 0 HD2 HIS A 12 23.833 -4.731 -10.994 1.00 34.32 H new ATOM 0 HE1 HIS A 12 20.038 -6.596 -10.645 1.00 72.21 H new ATOM 0 HE2 HIS A 12 21.978 -6.096 -12.217 1.00 13.43 H new ATOM 195 N PHE A 13 21.337 -2.163 -5.663 1.00 70.54 N ATOM 196 CA PHE A 13 20.567 -2.291 -4.432 1.00 34.22 C ATOM 197 C PHE A 13 21.078 -3.456 -3.589 1.00 1.43 C ATOM 198 O PHE A 13 20.311 -4.330 -3.186 1.00 72.20 O ATOM 199 CB PHE A 13 19.084 -2.491 -4.751 1.00 54.12 C ATOM 200 CG PHE A 13 18.562 -1.542 -5.792 1.00 74.21 C ATOM 201 CD1 PHE A 13 18.634 -0.172 -5.598 1.00 72.11 C ATOM 202 CD2 PHE A 13 17.999 -2.020 -6.965 1.00 22.34 C ATOM 203 CE1 PHE A 13 18.153 0.703 -6.554 1.00 24.10 C ATOM 204 CE2 PHE A 13 17.517 -1.150 -7.924 1.00 44.03 C ATOM 205 CZ PHE A 13 17.596 0.213 -7.719 1.00 13.50 C ATOM 0 H PHE A 13 21.703 -1.227 -5.836 1.00 70.54 H new ATOM 0 HA PHE A 13 20.688 -1.371 -3.861 1.00 34.22 H new ATOM 0 HB2 PHE A 13 18.929 -3.514 -5.093 1.00 54.12 H new ATOM 0 HB3 PHE A 13 18.504 -2.369 -3.836 1.00 54.12 H new ATOM 0 HD1 PHE A 13 19.071 0.217 -4.690 1.00 72.11 H new ATOM 0 HD2 PHE A 13 17.936 -3.085 -7.131 1.00 22.34 H new ATOM 0 HE1 PHE A 13 18.213 1.769 -6.390 1.00 24.10 H new ATOM 0 HE2 PHE A 13 17.079 -1.536 -8.833 1.00 44.03 H new ATOM 0 HZ PHE A 13 17.223 0.895 -8.469 1.00 13.50 H new ATOM 215 N LYS A 14 22.381 -3.460 -3.326 1.00 35.35 N ATOM 216 CA LYS A 14 22.997 -4.515 -2.530 1.00 61.41 C ATOM 217 C LYS A 14 23.415 -3.990 -1.160 1.00 72.42 C ATOM 218 O LYS A 14 23.745 -2.815 -1.009 1.00 61.04 O ATOM 219 CB LYS A 14 24.213 -5.089 -3.261 1.00 3.31 C ATOM 220 CG LYS A 14 24.036 -6.533 -3.696 1.00 62.11 C ATOM 221 CD LYS A 14 23.338 -6.628 -5.042 1.00 72.32 C ATOM 222 CE LYS A 14 24.254 -7.214 -6.105 1.00 62.24 C ATOM 223 NZ LYS A 14 24.215 -8.703 -6.112 1.00 4.11 N ATOM 0 H LYS A 14 23.030 -2.744 -3.653 1.00 35.35 H new ATOM 0 HA LYS A 14 22.260 -5.305 -2.387 1.00 61.41 H new ATOM 0 HB2 LYS A 14 24.421 -4.477 -4.139 1.00 3.31 H new ATOM 0 HB3 LYS A 14 25.084 -5.019 -2.610 1.00 3.31 H new ATOM 0 HG2 LYS A 14 25.010 -7.018 -3.755 1.00 62.11 H new ATOM 0 HG3 LYS A 14 23.457 -7.072 -2.946 1.00 62.11 H new ATOM 0 HD2 LYS A 14 22.446 -7.247 -4.947 1.00 72.32 H new ATOM 0 HD3 LYS A 14 23.007 -5.637 -5.352 1.00 72.32 H new ATOM 0 HE2 LYS A 14 23.960 -6.838 -7.085 1.00 62.24 H new ATOM 0 HE3 LYS A 14 25.276 -6.878 -5.929 1.00 62.24 H new ATOM 0 HZ1 LYS A 14 24.853 -9.064 -6.850 1.00 4.11 H new ATOM 0 HZ2 LYS A 14 24.520 -9.063 -5.185 1.00 4.11 H new ATOM 0 HZ3 LYS A 14 23.245 -9.024 -6.305 1.00 4.11 H new ATOM 237 N GLY A 15 23.399 -4.871 -0.164 1.00 11.22 N ATOM 238 CA GLY A 15 23.779 -4.477 1.180 1.00 25.11 C ATOM 239 C GLY A 15 22.581 -4.161 2.053 1.00 41.11 C ATOM 240 O GLY A 15 21.630 -4.940 2.120 1.00 64.40 O ATOM 0 H GLY A 15 23.130 -5.850 -0.264 1.00 11.22 H new ATOM 0 HA2 GLY A 15 24.358 -5.278 1.640 1.00 25.11 H new ATOM 0 HA3 GLY A 15 24.428 -3.603 1.129 1.00 25.11 H new ATOM 244 N TYR A 16 22.626 -3.016 2.724 1.00 2.25 N ATOM 245 CA TYR A 16 21.538 -2.600 3.601 1.00 74.41 C ATOM 246 C TYR A 16 20.691 -1.516 2.941 1.00 34.34 C ATOM 247 O TYR A 16 21.189 -0.724 2.142 1.00 1.44 O ATOM 248 CB TYR A 16 22.093 -2.090 4.932 1.00 74.41 C ATOM 249 CG TYR A 16 21.243 -2.465 6.125 1.00 5.15 C ATOM 250 CD1 TYR A 16 21.440 -3.668 6.793 1.00 55.34 C ATOM 251 CD2 TYR A 16 20.245 -1.615 6.587 1.00 64.23 C ATOM 252 CE1 TYR A 16 20.665 -4.014 7.883 1.00 24.20 C ATOM 253 CE2 TYR A 16 19.467 -1.953 7.677 1.00 5.23 C ATOM 254 CZ TYR A 16 19.681 -3.153 8.322 1.00 71.43 C ATOM 255 OH TYR A 16 18.909 -3.494 9.408 1.00 34.34 O ATOM 0 H TYR A 16 23.405 -2.359 2.677 1.00 2.25 H new ATOM 0 HA TYR A 16 20.905 -3.467 3.788 1.00 74.41 H new ATOM 0 HB2 TYR A 16 23.098 -2.487 5.073 1.00 74.41 H new ATOM 0 HB3 TYR A 16 22.183 -1.005 4.887 1.00 74.41 H new ATOM 0 HD1 TYR A 16 22.212 -4.343 6.454 1.00 55.34 H new ATOM 0 HD2 TYR A 16 20.075 -0.674 6.085 1.00 64.23 H new ATOM 0 HE1 TYR A 16 20.829 -4.954 8.389 1.00 24.20 H new ATOM 0 HE2 TYR A 16 18.695 -1.281 8.022 1.00 5.23 H new ATOM 0 HH TYR A 16 18.264 -2.779 9.588 1.00 34.34 H new ATOM 265 N SER A 17 19.406 -1.488 3.283 1.00 63.31 N ATOM 266 CA SER A 17 18.488 -0.504 2.723 1.00 74.34 C ATOM 267 C SER A 17 17.958 0.425 3.810 1.00 13.31 C ATOM 268 O SER A 17 17.694 -0.002 4.934 1.00 33.20 O ATOM 269 CB SER A 17 17.322 -1.205 2.022 1.00 52.41 C ATOM 270 OG SER A 17 17.426 -2.613 2.143 1.00 51.32 O ATOM 0 H SER A 17 18.978 -2.135 3.945 1.00 63.31 H new ATOM 0 HA SER A 17 19.035 0.094 1.994 1.00 74.34 H new ATOM 0 HB2 SER A 17 16.379 -0.869 2.453 1.00 52.41 H new ATOM 0 HB3 SER A 17 17.308 -0.928 0.968 1.00 52.41 H new ATOM 0 HG SER A 17 17.447 -3.017 1.251 1.00 51.32 H new ATOM 276 N VAL A 18 17.805 1.700 3.467 1.00 13.41 N ATOM 277 CA VAL A 18 17.305 2.692 4.412 1.00 25.24 C ATOM 278 C VAL A 18 15.951 3.236 3.974 1.00 74.01 C ATOM 279 O VAL A 18 15.772 3.626 2.821 1.00 53.14 O ATOM 280 CB VAL A 18 18.291 3.865 4.569 1.00 64.25 C ATOM 281 CG1 VAL A 18 17.722 4.920 5.505 1.00 63.12 C ATOM 282 CG2 VAL A 18 19.638 3.365 5.070 1.00 12.33 C ATOM 0 H VAL A 18 18.020 2.071 2.541 1.00 13.41 H new ATOM 0 HA VAL A 18 17.197 2.187 5.372 1.00 25.24 H new ATOM 0 HB VAL A 18 18.441 4.325 3.592 1.00 64.25 H new ATOM 0 HG11 VAL A 18 18.433 5.741 5.603 1.00 63.12 H new ATOM 0 HG12 VAL A 18 16.784 5.299 5.099 1.00 63.12 H new ATOM 0 HG13 VAL A 18 17.541 4.478 6.485 1.00 63.12 H new ATOM 0 HG21 VAL A 18 20.322 4.207 5.175 1.00 12.33 H new ATOM 0 HG22 VAL A 18 19.509 2.879 6.037 1.00 12.33 H new ATOM 0 HG23 VAL A 18 20.049 2.650 4.357 1.00 12.33 H new ATOM 292 N GLU A 19 15.000 3.259 4.902 1.00 15.34 N ATOM 293 CA GLU A 19 13.660 3.756 4.611 1.00 71.24 C ATOM 294 C GLU A 19 13.486 5.183 5.121 1.00 53.43 C ATOM 295 O GLU A 19 13.983 5.538 6.190 1.00 22.34 O ATOM 296 CB GLU A 19 12.605 2.845 5.242 1.00 23.42 C ATOM 297 CG GLU A 19 12.742 2.710 6.749 1.00 34.45 C ATOM 298 CD GLU A 19 13.672 1.582 7.152 1.00 1.14 C ATOM 299 OE1 GLU A 19 14.286 0.969 6.254 1.00 32.14 O ATOM 300 OE2 GLU A 19 13.786 1.313 8.367 1.00 44.43 O ATOM 0 H GLU A 19 15.132 2.939 5.862 1.00 15.34 H new ATOM 0 HA GLU A 19 13.528 3.757 3.529 1.00 71.24 H new ATOM 0 HB2 GLU A 19 11.614 3.235 5.009 1.00 23.42 H new ATOM 0 HB3 GLU A 19 12.673 1.856 4.789 1.00 23.42 H new ATOM 0 HG2 GLU A 19 13.114 3.648 7.162 1.00 34.45 H new ATOM 0 HG3 GLU A 19 11.758 2.538 7.185 1.00 34.45 H new ATOM 307 N LEU A 20 12.777 5.999 4.348 1.00 71.00 N ATOM 308 CA LEU A 20 12.537 7.389 4.720 1.00 34.11 C ATOM 309 C LEU A 20 11.089 7.784 4.444 1.00 4.12 C ATOM 310 O LEU A 20 10.757 8.318 3.386 1.00 72.33 O ATOM 311 CB LEU A 20 13.485 8.314 3.954 1.00 35.45 C ATOM 312 CG LEU A 20 14.941 7.858 3.867 1.00 64.23 C ATOM 313 CD1 LEU A 20 15.743 8.800 2.982 1.00 22.12 C ATOM 314 CD2 LEU A 20 15.558 7.773 5.255 1.00 22.33 C ATOM 0 H LEU A 20 12.358 5.722 3.460 1.00 71.00 H new ATOM 0 HA LEU A 20 12.725 7.491 5.789 1.00 34.11 H new ATOM 0 HB2 LEU A 20 13.102 8.436 2.941 1.00 35.45 H new ATOM 0 HB3 LEU A 20 13.460 9.297 4.424 1.00 35.45 H new ATOM 0 HG LEU A 20 14.964 6.864 3.420 1.00 64.23 H new ATOM 0 HD11 LEU A 20 16.777 8.460 2.932 1.00 22.12 H new ATOM 0 HD12 LEU A 20 15.315 8.810 1.980 1.00 22.12 H new ATOM 0 HD13 LEU A 20 15.712 9.806 3.400 1.00 22.12 H new ATOM 0 HD21 LEU A 20 16.595 7.447 5.173 1.00 22.33 H new ATOM 0 HD22 LEU A 20 15.523 8.754 5.730 1.00 22.33 H new ATOM 0 HD23 LEU A 20 14.999 7.058 5.858 1.00 22.33 H new ATOM 326 N PRO A 21 10.207 7.519 5.419 1.00 21.21 N ATOM 327 CA PRO A 21 8.782 7.841 5.306 1.00 74.02 C ATOM 328 C PRO A 21 8.522 9.343 5.345 1.00 12.02 C ATOM 329 O PRO A 21 8.042 9.874 6.347 1.00 51.12 O ATOM 330 CB PRO A 21 8.166 7.159 6.530 1.00 15.42 C ATOM 331 CG PRO A 21 9.279 7.072 7.516 1.00 64.15 C ATOM 332 CD PRO A 21 10.533 6.884 6.707 1.00 5.32 C ATOM 0 HA PRO A 21 8.362 7.505 4.358 1.00 74.02 H new ATOM 0 HB2 PRO A 21 7.331 7.736 6.926 1.00 15.42 H new ATOM 0 HB3 PRO A 21 7.780 6.171 6.280 1.00 15.42 H new ATOM 0 HG2 PRO A 21 9.336 7.977 8.121 1.00 64.15 H new ATOM 0 HG3 PRO A 21 9.128 6.239 8.202 1.00 64.15 H new ATOM 0 HD2 PRO A 21 11.392 7.357 7.182 1.00 5.32 H new ATOM 0 HD3 PRO A 21 10.778 5.829 6.584 1.00 5.32 H new ATOM 340 N VAL A 22 8.842 10.023 4.249 1.00 55.31 N ATOM 341 CA VAL A 22 8.641 11.465 4.158 1.00 61.42 C ATOM 342 C VAL A 22 9.526 12.206 5.153 1.00 42.50 C ATOM 343 O VAL A 22 9.757 11.736 6.266 1.00 71.41 O ATOM 344 CB VAL A 22 7.170 11.844 4.413 1.00 23.03 C ATOM 345 CG1 VAL A 22 6.935 13.313 4.097 1.00 0.13 C ATOM 346 CG2 VAL A 22 6.242 10.959 3.595 1.00 24.10 C ATOM 0 H VAL A 22 9.241 9.599 3.412 1.00 55.31 H new ATOM 0 HA VAL A 22 8.913 11.760 3.145 1.00 61.42 H new ATOM 0 HB VAL A 22 6.949 11.684 5.468 1.00 23.03 H new ATOM 0 HG11 VAL A 22 5.890 13.563 4.283 1.00 0.13 H new ATOM 0 HG12 VAL A 22 7.574 13.928 4.731 1.00 0.13 H new ATOM 0 HG13 VAL A 22 7.172 13.502 3.050 1.00 0.13 H new ATOM 0 HG21 VAL A 22 5.207 11.241 3.788 1.00 24.10 H new ATOM 0 HG22 VAL A 22 6.461 11.084 2.535 1.00 24.10 H new ATOM 0 HG23 VAL A 22 6.392 9.917 3.876 1.00 24.10 H new ATOM 356 N GLY A 23 10.020 13.371 4.744 1.00 12.50 N ATOM 357 CA GLY A 23 10.874 14.161 5.612 1.00 61.22 C ATOM 358 C GLY A 23 12.228 14.443 4.992 1.00 63.41 C ATOM 359 O GLY A 23 12.643 13.762 4.054 1.00 71.33 O ATOM 0 H GLY A 23 9.844 13.782 3.827 1.00 12.50 H new ATOM 0 HA2 GLY A 23 10.379 15.105 5.842 1.00 61.22 H new ATOM 0 HA3 GLY A 23 11.013 13.635 6.557 1.00 61.22 H new ATOM 363 N ASP A 24 12.919 15.449 5.515 1.00 12.54 N ATOM 364 CA ASP A 24 14.234 15.821 5.007 1.00 62.41 C ATOM 365 C ASP A 24 15.335 15.346 5.950 1.00 62.51 C ATOM 366 O ASP A 24 15.154 15.316 7.167 1.00 11.54 O ATOM 367 CB ASP A 24 14.324 17.336 4.821 1.00 53.02 C ATOM 368 CG ASP A 24 15.593 17.758 4.108 1.00 63.24 C ATOM 369 OD1 ASP A 24 16.638 17.885 4.780 1.00 20.24 O ATOM 370 OD2 ASP A 24 15.543 17.960 2.877 1.00 54.04 O ATOM 0 H ASP A 24 12.590 16.022 6.292 1.00 12.54 H new ATOM 0 HA ASP A 24 14.373 15.336 4.041 1.00 62.41 H new ATOM 0 HB2 ASP A 24 13.460 17.681 4.253 1.00 53.02 H new ATOM 0 HB3 ASP A 24 14.280 17.822 5.796 1.00 53.02 H new ATOM 375 N TYR A 25 16.476 14.973 5.380 1.00 55.25 N ATOM 376 CA TYR A 25 17.605 14.496 6.169 1.00 72.22 C ATOM 377 C TYR A 25 18.890 15.215 5.771 1.00 1.23 C ATOM 378 O TYR A 25 19.124 15.487 4.595 1.00 70.35 O ATOM 379 CB TYR A 25 17.776 12.986 5.991 1.00 2.33 C ATOM 380 CG TYR A 25 16.488 12.209 6.140 1.00 72.04 C ATOM 381 CD1 TYR A 25 15.476 12.317 5.193 1.00 30.42 C ATOM 382 CD2 TYR A 25 16.282 11.368 7.226 1.00 34.10 C ATOM 383 CE1 TYR A 25 14.297 11.609 5.325 1.00 72.13 C ATOM 384 CE2 TYR A 25 15.106 10.655 7.365 1.00 44.41 C ATOM 385 CZ TYR A 25 14.117 10.779 6.412 1.00 50.41 C ATOM 386 OH TYR A 25 12.944 10.072 6.547 1.00 2.33 O ATOM 0 H TYR A 25 16.643 14.992 4.374 1.00 55.25 H new ATOM 0 HA TYR A 25 17.400 14.711 7.218 1.00 72.22 H new ATOM 0 HB2 TYR A 25 18.196 12.790 5.005 1.00 2.33 H new ATOM 0 HB3 TYR A 25 18.497 12.622 6.723 1.00 2.33 H new ATOM 0 HD1 TYR A 25 15.614 12.965 4.340 1.00 30.42 H new ATOM 0 HD2 TYR A 25 17.054 11.269 7.975 1.00 34.10 H new ATOM 0 HE1 TYR A 25 13.520 11.705 4.581 1.00 72.13 H new ATOM 0 HE2 TYR A 25 14.963 10.005 8.215 1.00 44.41 H new ATOM 0 HH TYR A 25 12.978 9.535 7.366 1.00 2.33 H new ATOM 396 N ASN A 26 19.721 15.520 6.763 1.00 14.31 N ATOM 397 CA ASN A 26 20.983 16.208 6.519 1.00 42.15 C ATOM 398 C ASN A 26 22.151 15.227 6.547 1.00 5.23 C ATOM 399 O ASN A 26 21.955 14.011 6.557 1.00 5.22 O ATOM 400 CB ASN A 26 21.200 17.307 7.561 1.00 55.02 C ATOM 401 CG ASN A 26 21.804 18.562 6.961 1.00 31.10 C ATOM 402 OD1 ASN A 26 22.532 18.501 5.970 1.00 12.20 O ATOM 403 ND2 ASN A 26 21.504 19.708 7.561 1.00 21.12 N ATOM 0 H ASN A 26 19.543 15.301 7.743 1.00 14.31 H new ATOM 0 HA ASN A 26 20.935 16.661 5.529 1.00 42.15 H new ATOM 0 HB2 ASN A 26 20.247 17.554 8.029 1.00 55.02 H new ATOM 0 HB3 ASN A 26 21.854 16.933 8.349 1.00 55.02 H new ATOM 0 HD21 ASN A 26 21.881 20.585 7.203 1.00 21.12 H new ATOM 0 HD22 ASN A 26 20.896 19.711 8.380 1.00 21.12 H new ATOM 410 N LEU A 27 23.367 15.764 6.561 1.00 33.44 N ATOM 411 CA LEU A 27 24.568 14.936 6.590 1.00 51.31 C ATOM 412 C LEU A 27 24.614 14.087 7.856 1.00 3.22 C ATOM 413 O LEU A 27 24.915 12.895 7.805 1.00 35.52 O ATOM 414 CB LEU A 27 25.818 15.814 6.505 1.00 53.12 C ATOM 415 CG LEU A 27 27.131 15.155 6.928 1.00 60.25 C ATOM 416 CD1 LEU A 27 28.273 15.623 6.039 1.00 24.05 C ATOM 417 CD2 LEU A 27 27.432 15.454 8.389 1.00 51.31 C ATOM 0 H LEU A 27 23.547 16.768 6.553 1.00 33.44 H new ATOM 0 HA LEU A 27 24.541 14.269 5.729 1.00 51.31 H new ATOM 0 HB2 LEU A 27 25.924 16.162 5.478 1.00 53.12 H new ATOM 0 HB3 LEU A 27 25.661 16.696 7.126 1.00 53.12 H new ATOM 0 HG LEU A 27 27.027 14.076 6.814 1.00 60.25 H new ATOM 0 HD11 LEU A 27 29.200 15.144 6.355 1.00 24.05 H new ATOM 0 HD12 LEU A 27 28.061 15.356 5.004 1.00 24.05 H new ATOM 0 HD13 LEU A 27 28.378 16.705 6.121 1.00 24.05 H new ATOM 0 HD21 LEU A 27 28.370 14.977 8.672 1.00 51.31 H new ATOM 0 HD22 LEU A 27 27.516 16.532 8.530 1.00 51.31 H new ATOM 0 HD23 LEU A 27 26.626 15.068 9.013 1.00 51.31 H new ATOM 429 N SER A 28 24.313 14.710 8.991 1.00 31.43 N ATOM 430 CA SER A 28 24.322 14.012 10.272 1.00 73.44 C ATOM 431 C SER A 28 23.179 13.004 10.349 1.00 72.13 C ATOM 432 O SER A 28 23.263 12.007 11.065 1.00 21.44 O ATOM 433 CB SER A 28 24.213 15.013 11.423 1.00 35.22 C ATOM 434 OG SER A 28 25.363 15.837 11.493 1.00 0.20 O ATOM 0 H SER A 28 24.060 15.696 9.050 1.00 31.43 H new ATOM 0 HA SER A 28 25.265 13.473 10.358 1.00 73.44 H new ATOM 0 HB2 SER A 28 23.326 15.632 11.288 1.00 35.22 H new ATOM 0 HB3 SER A 28 24.088 14.478 12.364 1.00 35.22 H new ATOM 0 HG SER A 28 25.268 16.469 12.236 1.00 0.20 H new ATOM 440 N SER A 29 22.110 13.272 9.605 1.00 3.40 N ATOM 441 CA SER A 29 20.948 12.392 9.591 1.00 11.11 C ATOM 442 C SER A 29 21.256 11.097 8.845 1.00 13.31 C ATOM 443 O SER A 29 20.760 10.028 9.203 1.00 71.03 O ATOM 444 CB SER A 29 19.756 13.097 8.942 1.00 54.14 C ATOM 445 OG SER A 29 19.462 14.316 9.603 1.00 75.44 O ATOM 0 H SER A 29 22.025 14.092 9.004 1.00 3.40 H new ATOM 0 HA SER A 29 20.697 12.145 10.623 1.00 11.11 H new ATOM 0 HB2 SER A 29 19.973 13.292 7.892 1.00 54.14 H new ATOM 0 HB3 SER A 29 18.884 12.444 8.971 1.00 54.14 H new ATOM 0 HG SER A 29 18.543 14.586 9.398 1.00 75.44 H new ATOM 451 N LEU A 30 22.077 11.202 7.807 1.00 63.35 N ATOM 452 CA LEU A 30 22.453 10.040 7.008 1.00 31.33 C ATOM 453 C LEU A 30 23.065 8.952 7.885 1.00 65.02 C ATOM 454 O LEU A 30 22.629 7.801 7.859 1.00 74.04 O ATOM 455 CB LEU A 30 23.442 10.446 5.914 1.00 14.01 C ATOM 456 CG LEU A 30 22.865 11.264 4.758 1.00 34.30 C ATOM 457 CD1 LEU A 30 23.958 12.075 4.080 1.00 12.35 C ATOM 458 CD2 LEU A 30 22.174 10.353 3.754 1.00 54.15 C ATOM 0 H LEU A 30 22.496 12.079 7.498 1.00 63.35 H new ATOM 0 HA LEU A 30 21.551 9.642 6.543 1.00 31.33 H new ATOM 0 HB2 LEU A 30 24.246 11.021 6.374 1.00 14.01 H new ATOM 0 HB3 LEU A 30 23.891 9.541 5.504 1.00 14.01 H new ATOM 0 HG LEU A 30 22.125 11.956 5.161 1.00 34.30 H new ATOM 0 HD11 LEU A 30 23.528 12.651 3.260 1.00 12.35 H new ATOM 0 HD12 LEU A 30 24.409 12.755 4.803 1.00 12.35 H new ATOM 0 HD13 LEU A 30 24.722 11.402 3.690 1.00 12.35 H new ATOM 0 HD21 LEU A 30 21.769 10.952 2.938 1.00 54.15 H new ATOM 0 HD22 LEU A 30 22.894 9.637 3.357 1.00 54.15 H new ATOM 0 HD23 LEU A 30 21.363 9.817 4.247 1.00 54.15 H new ATOM 470 N ILE A 31 24.077 9.325 8.661 1.00 64.11 N ATOM 471 CA ILE A 31 24.747 8.382 9.548 1.00 61.43 C ATOM 472 C ILE A 31 23.801 7.881 10.634 1.00 51.23 C ATOM 473 O ILE A 31 23.950 6.768 11.137 1.00 63.33 O ATOM 474 CB ILE A 31 25.984 9.015 10.212 1.00 20.41 C ATOM 475 CG1 ILE A 31 26.971 9.497 9.147 1.00 23.22 C ATOM 476 CG2 ILE A 31 26.651 8.018 11.148 1.00 61.42 C ATOM 477 CD1 ILE A 31 26.834 10.967 8.817 1.00 32.42 C ATOM 0 H ILE A 31 24.451 10.273 8.693 1.00 64.11 H new ATOM 0 HA ILE A 31 25.066 7.541 8.932 1.00 61.43 H new ATOM 0 HB ILE A 31 25.663 9.876 10.799 1.00 20.41 H new ATOM 0 HG12 ILE A 31 27.987 9.303 9.491 1.00 23.22 H new ATOM 0 HG13 ILE A 31 26.825 8.914 8.238 1.00 23.22 H new ATOM 0 HG21 ILE A 31 27.524 8.480 11.610 1.00 61.42 H new ATOM 0 HG22 ILE A 31 25.946 7.719 11.923 1.00 61.42 H new ATOM 0 HG23 ILE A 31 26.962 7.140 10.582 1.00 61.42 H new ATOM 0 HD11 ILE A 31 27.565 11.239 8.055 1.00 32.42 H new ATOM 0 HD12 ILE A 31 25.829 11.164 8.443 1.00 32.42 H new ATOM 0 HD13 ILE A 31 27.009 11.559 9.715 1.00 32.42 H new ATOM 489 N SER A 32 22.825 8.711 10.989 1.00 4.05 N ATOM 490 CA SER A 32 21.855 8.354 12.018 1.00 71.25 C ATOM 491 C SER A 32 21.185 7.022 11.693 1.00 54.33 C ATOM 492 O SER A 32 20.866 6.241 12.589 1.00 75.44 O ATOM 493 CB SER A 32 20.797 9.451 12.153 1.00 30.41 C ATOM 494 OG SER A 32 19.578 9.061 11.545 1.00 34.14 O ATOM 0 H SER A 32 22.685 9.635 10.580 1.00 4.05 H new ATOM 0 HA SER A 32 22.386 8.253 12.965 1.00 71.25 H new ATOM 0 HB2 SER A 32 20.628 9.669 13.207 1.00 30.41 H new ATOM 0 HB3 SER A 32 21.160 10.369 11.691 1.00 30.41 H new ATOM 0 HG SER A 32 19.609 9.268 10.588 1.00 34.14 H new ATOM 500 N ARG A 33 20.974 6.772 10.405 1.00 63.34 N ATOM 501 CA ARG A 33 20.341 5.536 9.960 1.00 1.01 C ATOM 502 C ARG A 33 21.389 4.484 9.609 1.00 31.34 C ATOM 503 O ARG A 33 21.086 3.294 9.527 1.00 55.34 O ATOM 504 CB ARG A 33 19.446 5.804 8.749 1.00 62.44 C ATOM 505 CG ARG A 33 18.003 5.372 8.950 1.00 30.41 C ATOM 506 CD ARG A 33 17.071 6.569 9.046 1.00 1.41 C ATOM 507 NE ARG A 33 15.832 6.244 9.748 1.00 43.21 N ATOM 508 CZ ARG A 33 15.032 7.157 10.287 1.00 75.13 C ATOM 509 NH1 ARG A 33 15.338 8.444 10.204 1.00 1.22 N ATOM 510 NH2 ARG A 33 13.921 6.783 10.909 1.00 22.44 N ATOM 0 H ARG A 33 21.232 7.409 9.651 1.00 63.34 H new ATOM 0 HA ARG A 33 19.729 5.155 10.778 1.00 1.01 H new ATOM 0 HB2 ARG A 33 19.469 6.869 8.520 1.00 62.44 H new ATOM 0 HB3 ARG A 33 19.855 5.283 7.883 1.00 62.44 H new ATOM 0 HG2 ARG A 33 17.694 4.735 8.121 1.00 30.41 H new ATOM 0 HG3 ARG A 33 17.924 4.774 9.858 1.00 30.41 H new ATOM 0 HD2 ARG A 33 17.578 7.383 9.564 1.00 1.41 H new ATOM 0 HD3 ARG A 33 16.836 6.927 8.044 1.00 1.41 H new ATOM 0 HE ARG A 33 15.567 5.262 9.829 1.00 43.21 H new ATOM 0 HH11 ARG A 33 16.190 8.736 9.725 1.00 1.22 H new ATOM 0 HH12 ARG A 33 14.721 9.143 10.619 1.00 1.22 H new ATOM 0 HH21 ARG A 33 13.681 5.794 10.973 1.00 22.44 H new ATOM 0 HH22 ARG A 33 13.307 7.485 11.323 1.00 22.44 H new ATOM 524 N GLY A 34 22.624 4.931 9.404 1.00 40.13 N ATOM 525 CA GLY A 34 23.698 4.016 9.064 1.00 74.23 C ATOM 526 C GLY A 34 24.260 4.271 7.679 1.00 23.34 C ATOM 527 O GLY A 34 24.788 3.362 7.040 1.00 64.32 O ATOM 0 H GLY A 34 22.900 5.911 9.467 1.00 40.13 H new ATOM 0 HA2 GLY A 34 24.497 4.109 9.800 1.00 74.23 H new ATOM 0 HA3 GLY A 34 23.330 2.992 9.121 1.00 74.23 H new ATOM 531 N ALA A 35 24.146 5.511 7.215 1.00 73.40 N ATOM 532 CA ALA A 35 24.648 5.882 5.898 1.00 55.41 C ATOM 533 C ALA A 35 25.656 7.022 5.996 1.00 14.32 C ATOM 534 O ALA A 35 25.344 8.098 6.510 1.00 60.24 O ATOM 535 CB ALA A 35 23.495 6.272 4.985 1.00 73.14 C ATOM 0 H ALA A 35 23.711 6.275 7.731 1.00 73.40 H new ATOM 0 HA ALA A 35 25.157 5.017 5.473 1.00 55.41 H new ATOM 0 HB1 ALA A 35 23.884 6.547 4.005 1.00 73.14 H new ATOM 0 HB2 ALA A 35 22.812 5.429 4.881 1.00 73.14 H new ATOM 0 HB3 ALA A 35 22.962 7.120 5.414 1.00 73.14 H new ATOM 541 N LEU A 36 26.865 6.781 5.502 1.00 73.30 N ATOM 542 CA LEU A 36 27.920 7.788 5.535 1.00 72.43 C ATOM 543 C LEU A 36 27.691 8.851 4.466 1.00 52.33 C ATOM 544 O LEU A 36 27.463 8.534 3.299 1.00 23.12 O ATOM 545 CB LEU A 36 29.286 7.130 5.332 1.00 51.05 C ATOM 546 CG LEU A 36 30.488 7.895 5.887 1.00 61.34 C ATOM 547 CD1 LEU A 36 30.671 9.211 5.147 1.00 23.10 C ATOM 548 CD2 LEU A 36 30.322 8.138 7.380 1.00 43.35 C ATOM 0 H LEU A 36 27.139 5.897 5.074 1.00 73.30 H new ATOM 0 HA LEU A 36 27.898 8.271 6.512 1.00 72.43 H new ATOM 0 HB2 LEU A 36 29.264 6.143 5.794 1.00 51.05 H new ATOM 0 HB3 LEU A 36 29.439 6.978 4.263 1.00 51.05 H new ATOM 0 HG LEU A 36 31.382 7.290 5.735 1.00 61.34 H new ATOM 0 HD11 LEU A 36 31.531 9.742 5.556 1.00 23.10 H new ATOM 0 HD12 LEU A 36 30.836 9.013 4.088 1.00 23.10 H new ATOM 0 HD13 LEU A 36 29.777 9.823 5.266 1.00 23.10 H new ATOM 0 HD21 LEU A 36 31.187 8.684 7.758 1.00 43.35 H new ATOM 0 HD22 LEU A 36 29.419 8.723 7.555 1.00 43.35 H new ATOM 0 HD23 LEU A 36 30.241 7.182 7.897 1.00 43.35 H new ATOM 560 N ASN A 37 27.755 10.115 4.872 1.00 14.05 N ATOM 561 CA ASN A 37 27.556 11.226 3.949 1.00 52.10 C ATOM 562 C ASN A 37 28.455 11.083 2.725 1.00 52.44 C ATOM 563 O ASN A 37 29.668 10.917 2.849 1.00 43.13 O ATOM 564 CB ASN A 37 27.838 12.556 4.650 1.00 10.34 C ATOM 565 CG ASN A 37 29.049 12.485 5.560 1.00 63.30 C ATOM 566 OD1 ASN A 37 28.919 12.334 6.775 1.00 42.41 O ATOM 567 ND2 ASN A 37 30.236 12.593 4.974 1.00 61.40 N ATOM 0 H ASN A 37 27.943 10.395 5.835 1.00 14.05 H new ATOM 0 HA ASN A 37 26.517 11.210 3.619 1.00 52.10 H new ATOM 0 HB2 ASN A 37 27.995 13.332 3.901 1.00 10.34 H new ATOM 0 HB3 ASN A 37 26.965 12.848 5.234 1.00 10.34 H new ATOM 0 HD21 ASN A 37 31.087 12.552 5.535 1.00 61.40 H new ATOM 0 HD22 ASN A 37 30.296 12.717 3.963 1.00 61.40 H new ATOM 574 N ASP A 38 27.851 11.150 1.543 1.00 11.12 N ATOM 575 CA ASP A 38 28.596 11.030 0.296 1.00 44.14 C ATOM 576 C ASP A 38 29.240 9.652 0.177 1.00 34.13 C ATOM 577 O ASP A 38 30.432 9.488 0.437 1.00 52.12 O ATOM 578 CB ASP A 38 29.670 12.116 0.211 1.00 13.55 C ATOM 579 CG ASP A 38 29.225 13.420 0.844 1.00 14.33 C ATOM 580 OD1 ASP A 38 28.366 14.106 0.250 1.00 32.34 O ATOM 581 OD2 ASP A 38 29.734 13.755 1.934 1.00 65.21 O ATOM 0 H ASP A 38 26.847 11.287 1.423 1.00 11.12 H new ATOM 0 HA ASP A 38 27.895 11.157 -0.529 1.00 44.14 H new ATOM 0 HB2 ASP A 38 30.576 11.766 0.705 1.00 13.55 H new ATOM 0 HB3 ASP A 38 29.924 12.291 -0.834 1.00 13.55 H new ATOM 586 N ASP A 39 28.442 8.664 -0.215 1.00 3.41 N ATOM 587 CA ASP A 39 28.934 7.300 -0.368 1.00 34.15 C ATOM 588 C ASP A 39 27.897 6.424 -1.063 1.00 74.43 C ATOM 589 O ASP A 39 28.241 5.550 -1.861 1.00 14.31 O ATOM 590 CB ASP A 39 29.288 6.707 0.997 1.00 34.21 C ATOM 591 CG ASP A 39 29.411 5.196 0.958 1.00 51.34 C ATOM 592 OD1 ASP A 39 29.966 4.672 -0.030 1.00 65.34 O ATOM 593 OD2 ASP A 39 28.953 4.539 1.915 1.00 33.11 O ATOM 0 H ASP A 39 27.452 8.783 -0.432 1.00 3.41 H new ATOM 0 HA ASP A 39 29.831 7.330 -0.986 1.00 34.15 H new ATOM 0 HB2 ASP A 39 30.228 7.136 1.344 1.00 34.21 H new ATOM 0 HB3 ASP A 39 28.523 6.988 1.721 1.00 34.21 H new ATOM 598 N LEU A 40 26.626 6.662 -0.756 1.00 24.45 N ATOM 599 CA LEU A 40 25.538 5.893 -1.350 1.00 42.44 C ATOM 600 C LEU A 40 25.698 5.806 -2.865 1.00 15.32 C ATOM 601 O LEU A 40 26.110 6.769 -3.512 1.00 22.30 O ATOM 602 CB LEU A 40 24.190 6.528 -1.004 1.00 4.44 C ATOM 603 CG LEU A 40 23.404 5.860 0.125 1.00 42.31 C ATOM 604 CD1 LEU A 40 24.278 5.693 1.358 1.00 65.40 C ATOM 605 CD2 LEU A 40 22.158 6.668 0.458 1.00 5.30 C ATOM 0 H LEU A 40 26.324 7.381 -0.099 1.00 24.45 H new ATOM 0 HA LEU A 40 25.573 4.884 -0.940 1.00 42.44 H new ATOM 0 HB2 LEU A 40 24.360 7.570 -0.734 1.00 4.44 H new ATOM 0 HB3 LEU A 40 23.570 6.528 -1.901 1.00 4.44 H new ATOM 0 HG LEU A 40 23.093 4.871 -0.211 1.00 42.31 H new ATOM 0 HD11 LEU A 40 23.702 5.216 2.151 1.00 65.40 H new ATOM 0 HD12 LEU A 40 25.139 5.072 1.112 1.00 65.40 H new ATOM 0 HD13 LEU A 40 24.620 6.671 1.696 1.00 65.40 H new ATOM 0 HD21 LEU A 40 21.611 6.178 1.263 1.00 5.30 H new ATOM 0 HD22 LEU A 40 22.448 7.670 0.774 1.00 5.30 H new ATOM 0 HD23 LEU A 40 21.522 6.735 -0.424 1.00 5.30 H new ATOM 617 N SER A 41 25.366 4.647 -3.424 1.00 34.00 N ATOM 618 CA SER A 41 25.473 4.433 -4.862 1.00 44.54 C ATOM 619 C SER A 41 24.196 3.809 -5.416 1.00 41.11 C ATOM 620 O SER A 41 24.119 3.470 -6.597 1.00 23.32 O ATOM 621 CB SER A 41 26.672 3.536 -5.178 1.00 35.02 C ATOM 622 OG SER A 41 27.821 4.308 -5.479 1.00 24.52 O ATOM 0 H SER A 41 25.020 3.841 -2.903 1.00 34.00 H new ATOM 0 HA SER A 41 25.618 5.403 -5.338 1.00 44.54 H new ATOM 0 HB2 SER A 41 26.879 2.887 -4.327 1.00 35.02 H new ATOM 0 HB3 SER A 41 26.434 2.889 -6.022 1.00 35.02 H new ATOM 0 HG SER A 41 28.573 3.712 -5.676 1.00 24.52 H new ATOM 628 N SER A 42 23.196 3.661 -4.554 1.00 35.32 N ATOM 629 CA SER A 42 21.922 3.074 -4.954 1.00 61.32 C ATOM 630 C SER A 42 20.768 3.696 -4.174 1.00 50.02 C ATOM 631 O SER A 42 20.939 4.140 -3.040 1.00 5.35 O ATOM 632 CB SER A 42 21.943 1.560 -4.735 1.00 70.31 C ATOM 633 OG SER A 42 22.536 0.893 -5.836 1.00 4.31 O ATOM 0 H SER A 42 23.243 3.939 -3.574 1.00 35.32 H new ATOM 0 HA SER A 42 21.773 3.279 -6.014 1.00 61.32 H new ATOM 0 HB2 SER A 42 22.496 1.329 -3.825 1.00 70.31 H new ATOM 0 HB3 SER A 42 20.926 1.196 -4.591 1.00 70.31 H new ATOM 0 HG SER A 42 21.845 0.668 -6.493 1.00 4.31 H new ATOM 639 N ALA A 43 19.592 3.724 -4.792 1.00 73.01 N ATOM 640 CA ALA A 43 18.408 4.289 -4.156 1.00 41.44 C ATOM 641 C ALA A 43 17.186 4.161 -5.059 1.00 52.11 C ATOM 642 O ALA A 43 17.100 4.813 -6.100 1.00 12.22 O ATOM 643 CB ALA A 43 18.649 5.748 -3.795 1.00 31.40 C ATOM 0 H ALA A 43 19.434 3.362 -5.732 1.00 73.01 H new ATOM 0 HA ALA A 43 18.213 3.727 -3.243 1.00 41.44 H new ATOM 0 HB1 ALA A 43 17.757 6.158 -3.321 1.00 31.40 H new ATOM 0 HB2 ALA A 43 19.491 5.818 -3.106 1.00 31.40 H new ATOM 0 HB3 ALA A 43 18.872 6.314 -4.699 1.00 31.40 H new ATOM 649 N ARG A 44 16.243 3.316 -4.654 1.00 42.14 N ATOM 650 CA ARG A 44 15.026 3.101 -5.428 1.00 45.23 C ATOM 651 C ARG A 44 13.805 3.624 -4.678 1.00 22.04 C ATOM 652 O ARG A 44 13.759 3.594 -3.448 1.00 25.13 O ATOM 653 CB ARG A 44 14.850 1.614 -5.738 1.00 32.50 C ATOM 654 CG ARG A 44 13.504 1.276 -6.359 1.00 1.30 C ATOM 655 CD ARG A 44 12.490 0.866 -5.303 1.00 1.45 C ATOM 656 NE ARG A 44 11.451 -0.002 -5.849 1.00 71.11 N ATOM 657 CZ ARG A 44 10.397 -0.414 -5.154 1.00 33.02 C ATOM 658 NH1 ARG A 44 10.243 -0.038 -3.892 1.00 33.13 N ATOM 659 NH2 ARG A 44 9.493 -1.203 -5.721 1.00 65.41 N ATOM 0 H ARG A 44 16.298 2.769 -3.795 1.00 42.14 H new ATOM 0 HA ARG A 44 15.118 3.652 -6.364 1.00 45.23 H new ATOM 0 HB2 ARG A 44 15.643 1.296 -6.415 1.00 32.50 H new ATOM 0 HB3 ARG A 44 14.969 1.043 -4.817 1.00 32.50 H new ATOM 0 HG2 ARG A 44 13.129 2.139 -6.909 1.00 1.30 H new ATOM 0 HG3 ARG A 44 13.627 0.468 -7.080 1.00 1.30 H new ATOM 0 HD2 ARG A 44 13.002 0.351 -4.490 1.00 1.45 H new ATOM 0 HD3 ARG A 44 12.030 1.758 -4.877 1.00 1.45 H new ATOM 0 HE ARG A 44 11.539 -0.309 -6.818 1.00 71.11 H new ATOM 0 HH11 ARG A 44 10.935 0.569 -3.453 1.00 33.13 H new ATOM 0 HH12 ARG A 44 9.433 -0.356 -3.360 1.00 33.13 H new ATOM 0 HH21 ARG A 44 9.607 -1.494 -6.692 1.00 65.41 H new ATOM 0 HH22 ARG A 44 8.684 -1.519 -5.186 1.00 65.41 H new ATOM 673 N VAL A 45 12.817 4.104 -5.426 1.00 62.45 N ATOM 674 CA VAL A 45 11.595 4.633 -4.833 1.00 22.45 C ATOM 675 C VAL A 45 10.359 4.033 -5.493 1.00 51.32 C ATOM 676 O VAL A 45 10.359 3.697 -6.677 1.00 71.35 O ATOM 677 CB VAL A 45 11.533 6.167 -4.949 1.00 42.22 C ATOM 678 CG1 VAL A 45 12.783 6.799 -4.356 1.00 23.11 C ATOM 679 CG2 VAL A 45 11.353 6.584 -6.401 1.00 60.10 C ATOM 0 H VAL A 45 12.839 4.137 -6.445 1.00 62.45 H new ATOM 0 HA VAL A 45 11.610 4.357 -3.779 1.00 22.45 H new ATOM 0 HB VAL A 45 10.672 6.522 -4.383 1.00 42.22 H new ATOM 0 HG11 VAL A 45 12.721 7.883 -4.447 1.00 23.11 H new ATOM 0 HG12 VAL A 45 12.864 6.527 -3.303 1.00 23.11 H new ATOM 0 HG13 VAL A 45 13.662 6.440 -4.892 1.00 23.11 H new ATOM 0 HG21 VAL A 45 11.311 7.671 -6.465 1.00 60.10 H new ATOM 0 HG22 VAL A 45 12.193 6.218 -6.991 1.00 60.10 H new ATOM 0 HG23 VAL A 45 10.426 6.162 -6.789 1.00 60.10 H new ATOM 689 N PRO A 46 9.278 3.896 -4.711 1.00 52.32 N ATOM 690 CA PRO A 46 8.013 3.338 -5.199 1.00 43.03 C ATOM 691 C PRO A 46 7.308 4.270 -6.179 1.00 31.23 C ATOM 692 O PRO A 46 7.760 5.389 -6.421 1.00 21.21 O ATOM 693 CB PRO A 46 7.182 3.174 -3.924 1.00 64.03 C ATOM 694 CG PRO A 46 7.739 4.181 -2.977 1.00 72.54 C ATOM 695 CD PRO A 46 9.206 4.277 -3.290 1.00 65.54 C ATOM 0 HA PRO A 46 8.163 2.409 -5.749 1.00 43.03 H new ATOM 0 HB2 PRO A 46 6.124 3.353 -4.115 1.00 64.03 H new ATOM 0 HB3 PRO A 46 7.267 2.164 -3.523 1.00 64.03 H new ATOM 0 HG2 PRO A 46 7.249 5.147 -3.102 1.00 72.54 H new ATOM 0 HG3 PRO A 46 7.580 3.874 -1.943 1.00 72.54 H new ATOM 0 HD2 PRO A 46 9.587 5.285 -3.124 1.00 65.54 H new ATOM 0 HD3 PRO A 46 9.795 3.607 -2.664 1.00 65.54 H new ATOM 703 N SER A 47 6.197 3.801 -6.739 1.00 3.31 N ATOM 704 CA SER A 47 5.431 4.592 -7.695 1.00 20.01 C ATOM 705 C SER A 47 4.563 5.621 -6.977 1.00 3.12 C ATOM 706 O SER A 47 3.634 5.269 -6.252 1.00 21.33 O ATOM 707 CB SER A 47 4.554 3.681 -8.556 1.00 22.32 C ATOM 708 OG SER A 47 5.345 2.802 -9.338 1.00 10.34 O ATOM 0 H SER A 47 5.808 2.878 -6.547 1.00 3.31 H new ATOM 0 HA SER A 47 6.135 5.121 -8.338 1.00 20.01 H new ATOM 0 HB2 SER A 47 3.887 3.103 -7.917 1.00 22.32 H new ATOM 0 HB3 SER A 47 3.925 4.287 -9.208 1.00 22.32 H new ATOM 0 HG SER A 47 4.761 2.229 -9.878 1.00 10.34 H new ATOM 714 N GLY A 48 4.875 6.897 -7.185 1.00 13.03 N ATOM 715 CA GLY A 48 4.115 7.959 -6.551 1.00 21.21 C ATOM 716 C GLY A 48 4.876 8.620 -5.419 1.00 44.54 C ATOM 717 O GLY A 48 4.276 9.142 -4.479 1.00 2.22 O ATOM 0 H GLY A 48 5.640 7.214 -7.781 1.00 13.03 H new ATOM 0 HA2 GLY A 48 3.854 8.710 -7.297 1.00 21.21 H new ATOM 0 HA3 GLY A 48 3.179 7.553 -6.167 1.00 21.21 H new ATOM 721 N LEU A 49 6.202 8.599 -5.508 1.00 33.50 N ATOM 722 CA LEU A 49 7.047 9.200 -4.482 1.00 61.24 C ATOM 723 C LEU A 49 8.007 10.215 -5.094 1.00 64.33 C ATOM 724 O LEU A 49 8.652 9.942 -6.107 1.00 61.30 O ATOM 725 CB LEU A 49 7.835 8.117 -3.743 1.00 72.43 C ATOM 726 CG LEU A 49 8.075 8.360 -2.253 1.00 12.10 C ATOM 727 CD1 LEU A 49 7.951 7.060 -1.473 1.00 42.40 C ATOM 728 CD2 LEU A 49 9.441 8.991 -2.029 1.00 25.21 C ATOM 0 H LEU A 49 6.715 8.172 -6.280 1.00 33.50 H new ATOM 0 HA LEU A 49 6.402 9.719 -3.773 1.00 61.24 H new ATOM 0 HB2 LEU A 49 7.306 7.171 -3.856 1.00 72.43 H new ATOM 0 HB3 LEU A 49 8.802 8.002 -4.232 1.00 72.43 H new ATOM 0 HG LEU A 49 7.314 9.051 -1.890 1.00 12.10 H new ATOM 0 HD11 LEU A 49 8.125 7.253 -0.414 1.00 42.40 H new ATOM 0 HD12 LEU A 49 6.950 6.649 -1.607 1.00 42.40 H new ATOM 0 HD13 LEU A 49 8.689 6.345 -1.838 1.00 42.40 H new ATOM 0 HD21 LEU A 49 9.595 9.157 -0.963 1.00 25.21 H new ATOM 0 HD22 LEU A 49 10.216 8.325 -2.408 1.00 25.21 H new ATOM 0 HD23 LEU A 49 9.492 9.944 -2.556 1.00 25.21 H new ATOM 740 N ARG A 50 8.099 11.385 -4.472 1.00 12.23 N ATOM 741 CA ARG A 50 8.981 12.441 -4.954 1.00 63.55 C ATOM 742 C ARG A 50 10.068 12.752 -3.930 1.00 23.53 C ATOM 743 O ARG A 50 9.792 12.885 -2.737 1.00 0.02 O ATOM 744 CB ARG A 50 8.178 13.706 -5.262 1.00 31.35 C ATOM 745 CG ARG A 50 9.042 14.902 -5.628 1.00 35.42 C ATOM 746 CD ARG A 50 8.215 16.017 -6.249 1.00 35.35 C ATOM 747 NE ARG A 50 9.052 17.093 -6.772 1.00 32.14 N ATOM 748 CZ ARG A 50 8.588 18.296 -7.092 1.00 33.34 C ATOM 749 NH1 ARG A 50 7.300 18.574 -6.942 1.00 41.42 N ATOM 750 NH2 ARG A 50 9.412 19.223 -7.562 1.00 23.13 N ATOM 0 H ARG A 50 7.573 11.626 -3.632 1.00 12.23 H new ATOM 0 HA ARG A 50 9.458 12.091 -5.869 1.00 63.55 H new ATOM 0 HB2 ARG A 50 7.492 13.499 -6.083 1.00 31.35 H new ATOM 0 HB3 ARG A 50 7.569 13.960 -4.394 1.00 31.35 H new ATOM 0 HG2 ARG A 50 9.546 15.275 -4.736 1.00 35.42 H new ATOM 0 HG3 ARG A 50 9.819 14.591 -6.327 1.00 35.42 H new ATOM 0 HD2 ARG A 50 7.604 15.609 -7.054 1.00 35.35 H new ATOM 0 HD3 ARG A 50 7.531 16.420 -5.502 1.00 35.35 H new ATOM 0 HE ARG A 50 10.048 16.911 -6.899 1.00 32.14 H new ATOM 0 HH11 ARG A 50 6.664 17.864 -6.580 1.00 41.42 H new ATOM 0 HH12 ARG A 50 6.946 19.498 -7.188 1.00 41.42 H new ATOM 0 HH21 ARG A 50 10.403 19.013 -7.678 1.00 23.13 H new ATOM 0 HH22 ARG A 50 9.054 20.146 -7.807 1.00 23.13 H new ATOM 764 N LEU A 51 11.304 12.865 -4.402 1.00 45.05 N ATOM 765 CA LEU A 51 12.434 13.160 -3.528 1.00 21.23 C ATOM 766 C LEU A 51 13.450 14.053 -4.232 1.00 51.24 C ATOM 767 O LEU A 51 13.524 14.075 -5.460 1.00 50.34 O ATOM 768 CB LEU A 51 13.106 11.862 -3.075 1.00 42.41 C ATOM 769 CG LEU A 51 13.153 10.735 -4.107 1.00 53.12 C ATOM 770 CD1 LEU A 51 14.426 9.918 -3.949 1.00 13.45 C ATOM 771 CD2 LEU A 51 11.926 9.844 -3.979 1.00 52.14 C ATOM 0 H LEU A 51 11.550 12.757 -5.386 1.00 45.05 H new ATOM 0 HA LEU A 51 12.056 13.691 -2.654 1.00 21.23 H new ATOM 0 HB2 LEU A 51 14.127 12.092 -2.771 1.00 42.41 H new ATOM 0 HB3 LEU A 51 12.585 11.496 -2.190 1.00 42.41 H new ATOM 0 HG LEU A 51 13.153 11.180 -5.102 1.00 53.12 H new ATOM 0 HD11 LEU A 51 14.441 9.121 -4.692 1.00 13.45 H new ATOM 0 HD12 LEU A 51 15.293 10.564 -4.091 1.00 13.45 H new ATOM 0 HD13 LEU A 51 14.458 9.483 -2.950 1.00 13.45 H new ATOM 0 HD21 LEU A 51 11.976 9.047 -4.721 1.00 52.14 H new ATOM 0 HD22 LEU A 51 11.895 9.408 -2.980 1.00 52.14 H new ATOM 0 HD23 LEU A 51 11.027 10.437 -4.144 1.00 52.14 H new ATOM 783 N GLU A 52 14.232 14.786 -3.446 1.00 12.30 N ATOM 784 CA GLU A 52 15.244 15.680 -3.996 1.00 3.13 C ATOM 785 C GLU A 52 16.592 15.459 -3.315 1.00 42.41 C ATOM 786 O GLU A 52 16.694 15.491 -2.089 1.00 13.23 O ATOM 787 CB GLU A 52 14.811 17.139 -3.833 1.00 64.33 C ATOM 788 CG GLU A 52 13.603 17.512 -4.675 1.00 13.11 C ATOM 789 CD GLU A 52 13.490 19.007 -4.902 1.00 55.12 C ATOM 790 OE1 GLU A 52 13.686 19.771 -3.935 1.00 0.53 O ATOM 791 OE2 GLU A 52 13.205 19.412 -6.049 1.00 15.22 O ATOM 0 H GLU A 52 14.184 14.778 -2.427 1.00 12.30 H new ATOM 0 HA GLU A 52 15.351 15.457 -5.058 1.00 3.13 H new ATOM 0 HB2 GLU A 52 14.584 17.327 -2.784 1.00 64.33 H new ATOM 0 HB3 GLU A 52 15.644 17.789 -4.100 1.00 64.33 H new ATOM 0 HG2 GLU A 52 13.666 17.006 -5.638 1.00 13.11 H new ATOM 0 HG3 GLU A 52 12.698 17.153 -4.185 1.00 13.11 H new ATOM 798 N VAL A 53 17.626 15.235 -4.121 1.00 35.24 N ATOM 799 CA VAL A 53 18.968 15.009 -3.598 1.00 13.14 C ATOM 800 C VAL A 53 19.784 16.297 -3.604 1.00 33.20 C ATOM 801 O VAL A 53 19.877 16.981 -4.624 1.00 33.44 O ATOM 802 CB VAL A 53 19.715 13.937 -4.413 1.00 33.22 C ATOM 803 CG1 VAL A 53 21.040 13.590 -3.751 1.00 72.04 C ATOM 804 CG2 VAL A 53 18.851 12.696 -4.578 1.00 32.31 C ATOM 0 H VAL A 53 17.559 15.205 -5.138 1.00 35.24 H new ATOM 0 HA VAL A 53 18.853 14.660 -2.572 1.00 13.14 H new ATOM 0 HB VAL A 53 19.926 14.340 -5.404 1.00 33.22 H new ATOM 0 HG11 VAL A 53 21.554 12.831 -4.341 1.00 72.04 H new ATOM 0 HG12 VAL A 53 21.661 14.484 -3.689 1.00 72.04 H new ATOM 0 HG13 VAL A 53 20.856 13.206 -2.747 1.00 72.04 H new ATOM 0 HG21 VAL A 53 19.394 11.949 -5.156 1.00 32.31 H new ATOM 0 HG22 VAL A 53 18.608 12.289 -3.597 1.00 32.31 H new ATOM 0 HG23 VAL A 53 17.931 12.960 -5.100 1.00 32.31 H new ATOM 814 N PHE A 54 20.374 16.622 -2.459 1.00 4.11 N ATOM 815 CA PHE A 54 21.183 17.829 -2.332 1.00 22.23 C ATOM 816 C PHE A 54 22.604 17.487 -1.893 1.00 1.44 C ATOM 817 O PHE A 54 22.865 17.278 -0.708 1.00 74.53 O ATOM 818 CB PHE A 54 20.545 18.793 -1.329 1.00 62.41 C ATOM 819 CG PHE A 54 19.062 18.949 -1.508 1.00 61.31 C ATOM 820 CD1 PHE A 54 18.182 18.061 -0.911 1.00 73.32 C ATOM 821 CD2 PHE A 54 18.548 19.984 -2.273 1.00 24.33 C ATOM 822 CE1 PHE A 54 16.817 18.202 -1.075 1.00 73.31 C ATOM 823 CE2 PHE A 54 17.184 20.130 -2.440 1.00 21.02 C ATOM 824 CZ PHE A 54 16.317 19.238 -1.839 1.00 42.32 C ATOM 0 H PHE A 54 20.307 16.067 -1.606 1.00 4.11 H new ATOM 0 HA PHE A 54 21.229 18.310 -3.309 1.00 22.23 H new ATOM 0 HB2 PHE A 54 20.746 18.438 -0.318 1.00 62.41 H new ATOM 0 HB3 PHE A 54 21.019 19.770 -1.424 1.00 62.41 H new ATOM 0 HD1 PHE A 54 18.567 17.250 -0.311 1.00 73.32 H new ATOM 0 HD2 PHE A 54 19.221 20.685 -2.744 1.00 24.33 H new ATOM 0 HE1 PHE A 54 16.141 17.502 -0.606 1.00 73.31 H new ATOM 0 HE2 PHE A 54 16.796 20.940 -3.040 1.00 21.02 H new ATOM 0 HZ PHE A 54 15.250 19.351 -1.966 1.00 42.32 H new ATOM 834 N GLN A 55 23.518 17.433 -2.856 1.00 50.51 N ATOM 835 CA GLN A 55 24.912 17.116 -2.569 1.00 50.33 C ATOM 836 C GLN A 55 25.458 18.014 -1.464 1.00 22.11 C ATOM 837 O GLN A 55 26.185 17.557 -0.581 1.00 65.04 O ATOM 838 CB GLN A 55 25.762 17.268 -3.832 1.00 72.22 C ATOM 839 CG GLN A 55 25.192 16.542 -5.040 1.00 34.31 C ATOM 840 CD GLN A 55 24.408 17.460 -5.957 1.00 3.20 C ATOM 841 OE1 GLN A 55 24.976 18.337 -6.609 1.00 63.55 O ATOM 842 NE2 GLN A 55 23.096 17.264 -6.012 1.00 1.23 N ATOM 0 H GLN A 55 23.319 17.605 -3.841 1.00 50.51 H new ATOM 0 HA GLN A 55 24.960 16.082 -2.229 1.00 50.33 H new ATOM 0 HB2 GLN A 55 25.860 18.328 -4.068 1.00 72.22 H new ATOM 0 HB3 GLN A 55 26.765 16.891 -3.632 1.00 72.22 H new ATOM 0 HG2 GLN A 55 26.006 16.084 -5.601 1.00 34.31 H new ATOM 0 HG3 GLN A 55 24.544 15.734 -4.701 1.00 34.31 H new ATOM 0 HE21 GLN A 55 22.667 16.525 -5.455 1.00 1.23 H new ATOM 0 HE22 GLN A 55 22.517 17.852 -6.612 1.00 1.23 H new ATOM 851 N HIS A 56 25.103 19.294 -1.518 1.00 64.22 N ATOM 852 CA HIS A 56 25.558 20.256 -0.521 1.00 1.22 C ATOM 853 C HIS A 56 24.681 20.201 0.726 1.00 2.35 C ATOM 854 O HIS A 56 23.691 19.472 0.769 1.00 3.22 O ATOM 855 CB HIS A 56 25.548 21.670 -1.104 1.00 23.34 C ATOM 856 CG HIS A 56 26.843 22.061 -1.747 1.00 11.42 C ATOM 857 ND1 HIS A 56 27.970 22.397 -1.026 1.00 52.25 N ATOM 858 CD2 HIS A 56 27.187 22.168 -3.052 1.00 14.14 C ATOM 859 CE1 HIS A 56 28.950 22.695 -1.860 1.00 41.24 C ATOM 860 NE2 HIS A 56 28.501 22.564 -3.096 1.00 31.45 N ATOM 0 H HIS A 56 24.502 19.689 -2.241 1.00 64.22 H new ATOM 0 HA HIS A 56 26.578 19.995 -0.239 1.00 1.22 H new ATOM 0 HB2 HIS A 56 24.749 21.745 -1.841 1.00 23.34 H new ATOM 0 HB3 HIS A 56 25.317 22.380 -0.310 1.00 23.34 H new ATOM 0 HD2 HIS A 56 26.547 21.977 -3.901 1.00 14.14 H new ATOM 0 HE1 HIS A 56 29.949 22.995 -1.579 1.00 41.24 H new ATOM 0 HE2 HIS A 56 29.042 22.730 -3.944 1.00 31.45 H new ATOM 868 N ASN A 57 25.053 20.977 1.740 1.00 72.12 N ATOM 869 CA ASN A 57 24.301 21.015 2.989 1.00 53.43 C ATOM 870 C ASN A 57 22.805 21.153 2.719 1.00 23.31 C ATOM 871 O ASN A 57 22.393 21.503 1.614 1.00 2.43 O ATOM 872 CB ASN A 57 24.781 22.176 3.862 1.00 25.23 C ATOM 873 CG ASN A 57 25.838 21.748 4.862 1.00 24.50 C ATOM 874 OD1 ASN A 57 26.500 20.725 4.683 1.00 71.10 O ATOM 875 ND2 ASN A 57 26.001 22.530 5.922 1.00 4.43 N ATOM 0 H ASN A 57 25.870 21.587 1.721 1.00 72.12 H new ATOM 0 HA ASN A 57 24.473 20.077 3.516 1.00 53.43 H new ATOM 0 HB2 ASN A 57 25.185 22.963 3.225 1.00 25.23 H new ATOM 0 HB3 ASN A 57 23.931 22.602 4.395 1.00 25.23 H new ATOM 0 HD21 ASN A 57 26.697 22.293 6.629 1.00 4.43 H new ATOM 0 HD22 ASN A 57 25.430 23.368 6.030 1.00 4.43 H new ATOM 882 N ASN A 58 21.998 20.874 3.738 1.00 51.25 N ATOM 883 CA ASN A 58 20.548 20.967 3.611 1.00 70.32 C ATOM 884 C ASN A 58 20.144 22.267 2.923 1.00 71.04 C ATOM 885 O ASN A 58 20.182 23.339 3.526 1.00 12.33 O ATOM 886 CB ASN A 58 19.888 20.879 4.988 1.00 2.35 C ATOM 887 CG ASN A 58 18.461 21.391 4.979 1.00 34.23 C ATOM 888 OD1 ASN A 58 18.214 22.578 5.191 1.00 54.22 O ATOM 889 ND2 ASN A 58 17.513 20.494 4.734 1.00 55.03 N ATOM 0 H ASN A 58 22.323 20.582 4.660 1.00 51.25 H new ATOM 0 HA ASN A 58 20.208 20.132 2.998 1.00 70.32 H new ATOM 0 HB2 ASN A 58 19.897 19.843 5.327 1.00 2.35 H new ATOM 0 HB3 ASN A 58 20.473 21.454 5.706 1.00 2.35 H new ATOM 0 HD21 ASN A 58 16.534 20.779 4.716 1.00 55.03 H new ATOM 0 HD22 ASN A 58 17.764 19.520 4.564 1.00 55.03 H new ATOM 896 N PHE A 59 19.757 22.164 1.656 1.00 75.24 N ATOM 897 CA PHE A 59 19.345 23.331 0.884 1.00 4.24 C ATOM 898 C PHE A 59 20.373 24.453 1.007 1.00 74.04 C ATOM 899 O PHE A 59 20.042 25.574 1.394 1.00 60.01 O ATOM 900 CB PHE A 59 17.976 23.824 1.357 1.00 42.44 C ATOM 901 CG PHE A 59 16.843 22.924 0.955 1.00 63.13 C ATOM 902 CD1 PHE A 59 16.604 21.742 1.638 1.00 40.53 C ATOM 903 CD2 PHE A 59 16.018 23.259 -0.107 1.00 31.33 C ATOM 904 CE1 PHE A 59 15.562 20.912 1.271 1.00 61.43 C ATOM 905 CE2 PHE A 59 14.974 22.432 -0.478 1.00 43.20 C ATOM 906 CZ PHE A 59 14.747 21.257 0.211 1.00 71.44 C ATOM 0 H PHE A 59 19.720 21.284 1.142 1.00 75.24 H new ATOM 0 HA PHE A 59 19.275 23.038 -0.164 1.00 4.24 H new ATOM 0 HB2 PHE A 59 17.988 23.917 2.443 1.00 42.44 H new ATOM 0 HB3 PHE A 59 17.798 24.821 0.953 1.00 42.44 H new ATOM 0 HD1 PHE A 59 17.239 21.466 2.467 1.00 40.53 H new ATOM 0 HD2 PHE A 59 16.192 24.176 -0.651 1.00 31.33 H new ATOM 0 HE1 PHE A 59 15.385 19.994 1.813 1.00 61.43 H new ATOM 0 HE2 PHE A 59 14.337 22.705 -1.306 1.00 43.20 H new ATOM 0 HZ PHE A 59 13.933 20.609 -0.079 1.00 71.44 H new ATOM 916 N LYS A 60 21.621 24.143 0.674 1.00 71.32 N ATOM 917 CA LYS A 60 22.698 25.123 0.745 1.00 62.33 C ATOM 918 C LYS A 60 23.156 25.530 -0.652 1.00 61.12 C ATOM 919 O LYS A 60 23.547 26.674 -0.879 1.00 4.13 O ATOM 920 CB LYS A 60 23.880 24.556 1.535 1.00 13.02 C ATOM 921 CG LYS A 60 25.129 25.417 1.462 1.00 21.25 C ATOM 922 CD LYS A 60 26.050 24.969 0.340 1.00 24.23 C ATOM 923 CE LYS A 60 26.880 26.126 -0.195 1.00 24.41 C ATOM 924 NZ LYS A 60 26.628 26.366 -1.643 1.00 1.14 N ATOM 0 H LYS A 60 21.912 23.220 0.352 1.00 71.32 H new ATOM 0 HA LYS A 60 22.318 26.007 1.256 1.00 62.33 H new ATOM 0 HB2 LYS A 60 23.588 24.442 2.579 1.00 13.02 H new ATOM 0 HB3 LYS A 60 24.113 23.560 1.159 1.00 13.02 H new ATOM 0 HG2 LYS A 60 24.846 26.458 1.308 1.00 21.25 H new ATOM 0 HG3 LYS A 60 25.661 25.369 2.412 1.00 21.25 H new ATOM 0 HD2 LYS A 60 26.712 24.182 0.703 1.00 24.23 H new ATOM 0 HD3 LYS A 60 25.458 24.540 -0.469 1.00 24.23 H new ATOM 0 HE2 LYS A 60 26.649 27.030 0.369 1.00 24.41 H new ATOM 0 HE3 LYS A 60 27.938 25.916 -0.040 1.00 24.41 H new ATOM 0 HZ1 LYS A 60 27.160 27.204 -1.954 1.00 1.14 H new ATOM 0 HZ2 LYS A 60 26.936 25.537 -2.191 1.00 1.14 H new ATOM 0 HZ3 LYS A 60 25.612 26.525 -1.797 1.00 1.14 H new ATOM 938 N GLY A 61 23.103 24.585 -1.587 1.00 11.44 N ATOM 939 CA GLY A 61 23.514 24.866 -2.950 1.00 12.43 C ATOM 940 C GLY A 61 22.598 24.228 -3.975 1.00 32.23 C ATOM 941 O GLY A 61 21.379 24.205 -3.801 1.00 3.52 O ATOM 0 H GLY A 61 22.783 23.630 -1.424 1.00 11.44 H new ATOM 0 HA2 GLY A 61 23.533 25.945 -3.105 1.00 12.43 H new ATOM 0 HA3 GLY A 61 24.531 24.505 -3.101 1.00 12.43 H new ATOM 945 N VAL A 62 23.185 23.708 -5.048 1.00 73.12 N ATOM 946 CA VAL A 62 22.413 23.066 -6.106 1.00 1.30 C ATOM 947 C VAL A 62 21.476 22.006 -5.537 1.00 43.53 C ATOM 948 O VAL A 62 21.776 21.379 -4.522 1.00 23.23 O ATOM 949 CB VAL A 62 23.333 22.413 -7.155 1.00 1.25 C ATOM 950 CG1 VAL A 62 24.224 23.458 -7.809 1.00 14.51 C ATOM 951 CG2 VAL A 62 24.168 21.312 -6.518 1.00 42.42 C ATOM 0 H VAL A 62 24.192 23.719 -5.208 1.00 73.12 H new ATOM 0 HA VAL A 62 21.824 23.847 -6.586 1.00 1.30 H new ATOM 0 HB VAL A 62 22.711 21.965 -7.930 1.00 1.25 H new ATOM 0 HG11 VAL A 62 24.867 22.978 -8.547 1.00 14.51 H new ATOM 0 HG12 VAL A 62 23.605 24.208 -8.301 1.00 14.51 H new ATOM 0 HG13 VAL A 62 24.840 23.938 -7.049 1.00 14.51 H new ATOM 0 HG21 VAL A 62 24.812 20.861 -7.273 1.00 42.42 H new ATOM 0 HG22 VAL A 62 24.782 21.735 -5.723 1.00 42.42 H new ATOM 0 HG23 VAL A 62 23.509 20.550 -6.102 1.00 42.42 H new ATOM 961 N ARG A 63 20.340 21.812 -6.199 1.00 45.04 N ATOM 962 CA ARG A 63 19.359 20.828 -5.759 1.00 54.25 C ATOM 963 C ARG A 63 19.018 19.858 -6.887 1.00 51.31 C ATOM 964 O ARG A 63 18.995 20.236 -8.059 1.00 4.13 O ATOM 965 CB ARG A 63 18.088 21.527 -5.272 1.00 60.01 C ATOM 966 CG ARG A 63 17.414 22.377 -6.337 1.00 1.24 C ATOM 967 CD ARG A 63 16.216 23.126 -5.775 1.00 54.20 C ATOM 968 NE ARG A 63 16.486 24.553 -5.619 1.00 32.11 N ATOM 969 CZ ARG A 63 16.513 25.411 -6.633 1.00 33.04 C ATOM 970 NH1 ARG A 63 16.286 24.989 -7.869 1.00 25.11 N ATOM 971 NH2 ARG A 63 16.766 26.694 -6.410 1.00 53.44 N ATOM 0 H ARG A 63 20.077 22.323 -7.042 1.00 45.04 H new ATOM 0 HA ARG A 63 19.793 20.262 -4.935 1.00 54.25 H new ATOM 0 HB2 ARG A 63 17.382 20.775 -4.919 1.00 60.01 H new ATOM 0 HB3 ARG A 63 18.335 22.158 -4.418 1.00 60.01 H new ATOM 0 HG2 ARG A 63 18.132 23.089 -6.744 1.00 1.24 H new ATOM 0 HG3 ARG A 63 17.093 21.741 -7.162 1.00 1.24 H new ATOM 0 HD2 ARG A 63 15.360 22.989 -6.436 1.00 54.20 H new ATOM 0 HD3 ARG A 63 15.943 22.701 -4.809 1.00 54.20 H new ATOM 0 HE ARG A 63 16.664 24.910 -4.680 1.00 32.11 H new ATOM 0 HH11 ARG A 63 16.090 24.003 -8.043 1.00 25.11 H new ATOM 0 HH12 ARG A 63 16.307 25.650 -8.646 1.00 25.11 H new ATOM 0 HH21 ARG A 63 16.940 27.022 -5.460 1.00 53.44 H new ATOM 0 HH22 ARG A 63 16.787 27.353 -7.189 1.00 53.44 H new ATOM 985 N ASP A 64 18.754 18.608 -6.525 1.00 62.32 N ATOM 986 CA ASP A 64 18.414 17.583 -7.506 1.00 2.40 C ATOM 987 C ASP A 64 16.994 17.071 -7.286 1.00 62.14 C ATOM 988 O ASP A 64 16.306 17.496 -6.358 1.00 41.23 O ATOM 989 CB ASP A 64 19.407 16.422 -7.427 1.00 54.33 C ATOM 990 CG ASP A 64 19.802 15.905 -8.796 1.00 71.34 C ATOM 991 OD1 ASP A 64 20.516 16.629 -9.520 1.00 62.04 O ATOM 992 OD2 ASP A 64 19.396 14.776 -9.144 1.00 61.22 O ATOM 0 H ASP A 64 18.769 18.279 -5.560 1.00 62.32 H new ATOM 0 HA ASP A 64 18.470 18.031 -8.498 1.00 2.40 H new ATOM 0 HB2 ASP A 64 20.300 16.747 -6.893 1.00 54.33 H new ATOM 0 HB3 ASP A 64 18.967 15.610 -6.848 1.00 54.33 H new ATOM 997 N PHE A 65 16.561 16.156 -8.147 1.00 63.32 N ATOM 998 CA PHE A 65 15.222 15.587 -8.049 1.00 23.52 C ATOM 999 C PHE A 65 15.166 14.212 -8.710 1.00 15.42 C ATOM 1000 O PHE A 65 15.727 14.005 -9.786 1.00 2.33 O ATOM 1001 CB PHE A 65 14.199 16.520 -8.699 1.00 2.32 C ATOM 1002 CG PHE A 65 14.608 17.002 -10.061 1.00 60.05 C ATOM 1003 CD1 PHE A 65 14.430 16.199 -11.177 1.00 2.13 C ATOM 1004 CD2 PHE A 65 15.170 18.258 -10.227 1.00 75.33 C ATOM 1005 CE1 PHE A 65 14.806 16.640 -12.431 1.00 64.35 C ATOM 1006 CE2 PHE A 65 15.547 18.704 -11.480 1.00 22.12 C ATOM 1007 CZ PHE A 65 15.364 17.894 -12.583 1.00 44.14 C ATOM 0 H PHE A 65 17.118 15.793 -8.920 1.00 63.32 H new ATOM 0 HA PHE A 65 14.979 15.473 -6.993 1.00 23.52 H new ATOM 0 HB2 PHE A 65 13.244 16.001 -8.778 1.00 2.32 H new ATOM 0 HB3 PHE A 65 14.041 17.381 -8.050 1.00 2.32 H new ATOM 0 HD1 PHE A 65 13.993 15.218 -11.065 1.00 2.13 H new ATOM 0 HD2 PHE A 65 15.315 18.896 -9.368 1.00 75.33 H new ATOM 0 HE1 PHE A 65 14.664 16.004 -13.292 1.00 64.35 H new ATOM 0 HE2 PHE A 65 15.984 19.685 -11.596 1.00 22.12 H new ATOM 0 HZ PHE A 65 15.657 18.241 -13.563 1.00 44.14 H new ATOM 1017 N TYR A 66 14.484 13.277 -8.058 1.00 21.11 N ATOM 1018 CA TYR A 66 14.356 11.921 -8.580 1.00 12.53 C ATOM 1019 C TYR A 66 12.973 11.351 -8.280 1.00 21.23 C ATOM 1020 O TYR A 66 12.396 11.611 -7.223 1.00 61.42 O ATOM 1021 CB TYR A 66 15.434 11.017 -7.980 1.00 1.52 C ATOM 1022 CG TYR A 66 16.456 10.542 -8.988 1.00 53.42 C ATOM 1023 CD1 TYR A 66 16.129 9.583 -9.938 1.00 62.23 C ATOM 1024 CD2 TYR A 66 17.748 11.054 -8.991 1.00 54.21 C ATOM 1025 CE1 TYR A 66 17.060 9.145 -10.861 1.00 12.42 C ATOM 1026 CE2 TYR A 66 18.684 10.624 -9.911 1.00 23.31 C ATOM 1027 CZ TYR A 66 18.336 9.669 -10.843 1.00 72.12 C ATOM 1028 OH TYR A 66 19.265 9.237 -11.761 1.00 62.14 O ATOM 0 H TYR A 66 14.011 13.433 -7.168 1.00 21.11 H new ATOM 0 HA TYR A 66 14.486 11.961 -9.661 1.00 12.53 H new ATOM 0 HB2 TYR A 66 15.946 11.556 -7.183 1.00 1.52 H new ATOM 0 HB3 TYR A 66 14.956 10.150 -7.523 1.00 1.52 H new ATOM 0 HD1 TYR A 66 15.130 9.173 -9.956 1.00 62.23 H new ATOM 0 HD2 TYR A 66 18.025 11.801 -8.262 1.00 54.21 H new ATOM 0 HE1 TYR A 66 16.790 8.397 -11.592 1.00 12.42 H new ATOM 0 HE2 TYR A 66 19.683 11.034 -9.901 1.00 23.31 H new ATOM 0 HH TYR A 66 20.113 9.705 -11.613 1.00 62.14 H new ATOM 1038 N THR A 67 12.446 10.570 -9.218 1.00 21.33 N ATOM 1039 CA THR A 67 11.132 9.962 -9.056 1.00 74.41 C ATOM 1040 C THR A 67 11.077 8.587 -9.713 1.00 23.15 C ATOM 1041 O THR A 67 10.145 8.279 -10.455 1.00 14.25 O ATOM 1042 CB THR A 67 10.025 10.849 -9.656 1.00 74.33 C ATOM 1043 OG1 THR A 67 10.373 12.230 -9.514 1.00 51.30 O ATOM 1044 CG2 THR A 67 8.690 10.584 -8.975 1.00 43.13 C ATOM 0 H THR A 67 12.910 10.344 -10.098 1.00 21.33 H new ATOM 0 HA THR A 67 10.963 9.857 -7.984 1.00 74.41 H new ATOM 0 HB THR A 67 9.929 10.606 -10.714 1.00 74.33 H new ATOM 0 HG1 THR A 67 9.665 12.787 -9.899 1.00 51.30 H new ATOM 0 HG21 THR A 67 7.924 11.222 -9.416 1.00 43.13 H new ATOM 0 HG22 THR A 67 8.414 9.538 -9.111 1.00 43.13 H new ATOM 0 HG23 THR A 67 8.775 10.802 -7.910 1.00 43.13 H new ATOM 1052 N SER A 68 12.083 7.763 -9.434 1.00 54.11 N ATOM 1053 CA SER A 68 12.151 6.421 -10.001 1.00 15.14 C ATOM 1054 C SER A 68 13.286 5.622 -9.369 1.00 31.43 C ATOM 1055 O SER A 68 14.006 6.121 -8.504 1.00 14.50 O ATOM 1056 CB SER A 68 12.345 6.494 -11.516 1.00 72.24 C ATOM 1057 OG SER A 68 13.188 7.576 -11.871 1.00 62.12 O ATOM 0 H SER A 68 12.861 8.001 -8.819 1.00 54.11 H new ATOM 0 HA SER A 68 11.210 5.914 -9.787 1.00 15.14 H new ATOM 0 HB2 SER A 68 12.776 5.560 -11.876 1.00 72.24 H new ATOM 0 HB3 SER A 68 11.377 6.607 -12.005 1.00 72.24 H new ATOM 0 HG SER A 68 13.297 7.600 -12.845 1.00 62.12 H new ATOM 1063 N ASP A 69 13.440 4.377 -9.807 1.00 54.00 N ATOM 1064 CA ASP A 69 14.488 3.507 -9.286 1.00 74.12 C ATOM 1065 C ASP A 69 15.869 4.044 -9.647 1.00 61.11 C ATOM 1066 O ASP A 69 16.410 3.731 -10.707 1.00 22.40 O ATOM 1067 CB ASP A 69 14.320 2.088 -9.832 1.00 31.13 C ATOM 1068 CG ASP A 69 12.870 1.646 -9.860 1.00 11.11 C ATOM 1069 OD1 ASP A 69 12.109 2.049 -8.955 1.00 31.30 O ATOM 1070 OD2 ASP A 69 12.496 0.899 -10.787 1.00 71.44 O ATOM 0 H ASP A 69 12.852 3.948 -10.522 1.00 54.00 H new ATOM 0 HA ASP A 69 14.400 3.483 -8.200 1.00 74.12 H new ATOM 0 HB2 ASP A 69 14.731 2.039 -10.840 1.00 31.13 H new ATOM 0 HB3 ASP A 69 14.896 1.395 -9.219 1.00 31.13 H new ATOM 1075 N ALA A 70 16.434 4.855 -8.759 1.00 15.43 N ATOM 1076 CA ALA A 70 17.752 5.435 -8.983 1.00 51.32 C ATOM 1077 C ALA A 70 18.855 4.430 -8.668 1.00 54.22 C ATOM 1078 O ALA A 70 19.201 4.218 -7.507 1.00 12.25 O ATOM 1079 CB ALA A 70 17.925 6.692 -8.144 1.00 4.41 C ATOM 0 H ALA A 70 15.999 5.125 -7.877 1.00 15.43 H new ATOM 0 HA ALA A 70 17.830 5.702 -10.037 1.00 51.32 H new ATOM 0 HB1 ALA A 70 18.914 7.115 -8.321 1.00 4.41 H new ATOM 0 HB2 ALA A 70 17.164 7.422 -8.420 1.00 4.41 H new ATOM 0 HB3 ALA A 70 17.821 6.442 -7.088 1.00 4.41 H new ATOM 1085 N ALA A 71 19.402 3.813 -9.710 1.00 51.34 N ATOM 1086 CA ALA A 71 20.466 2.831 -9.544 1.00 43.44 C ATOM 1087 C ALA A 71 21.771 3.501 -9.125 1.00 15.11 C ATOM 1088 O ALA A 71 22.703 2.836 -8.675 1.00 40.22 O ATOM 1089 CB ALA A 71 20.665 2.045 -10.832 1.00 13.31 C ATOM 0 H ALA A 71 19.126 3.976 -10.678 1.00 51.34 H new ATOM 0 HA ALA A 71 20.170 2.142 -8.753 1.00 43.44 H new ATOM 0 HB1 ALA A 71 21.463 1.315 -10.693 1.00 13.31 H new ATOM 0 HB2 ALA A 71 19.741 1.528 -11.089 1.00 13.31 H new ATOM 0 HB3 ALA A 71 20.934 2.728 -11.637 1.00 13.31 H new ATOM 1095 N GLU A 72 21.828 4.821 -9.276 1.00 63.42 N ATOM 1096 CA GLU A 72 23.020 5.579 -8.914 1.00 31.10 C ATOM 1097 C GLU A 72 22.666 7.028 -8.593 1.00 51.22 C ATOM 1098 O GLU A 72 22.066 7.728 -9.410 1.00 14.11 O ATOM 1099 CB GLU A 72 24.046 5.532 -10.048 1.00 53.14 C ATOM 1100 CG GLU A 72 25.479 5.377 -9.567 1.00 75.33 C ATOM 1101 CD GLU A 72 26.248 6.683 -9.595 1.00 0.04 C ATOM 1102 OE1 GLU A 72 26.634 7.122 -10.698 1.00 24.21 O ATOM 1103 OE2 GLU A 72 26.463 7.267 -8.512 1.00 24.45 O ATOM 0 H GLU A 72 21.064 5.386 -9.646 1.00 63.42 H new ATOM 0 HA GLU A 72 23.453 5.123 -8.024 1.00 31.10 H new ATOM 0 HB2 GLU A 72 23.803 4.703 -10.712 1.00 53.14 H new ATOM 0 HB3 GLU A 72 23.966 6.446 -10.637 1.00 53.14 H new ATOM 0 HG2 GLU A 72 25.477 4.983 -8.551 1.00 75.33 H new ATOM 0 HG3 GLU A 72 25.991 4.645 -10.192 1.00 75.33 H new ATOM 1110 N LEU A 73 23.041 7.472 -7.399 1.00 2.03 N ATOM 1111 CA LEU A 73 22.764 8.838 -6.968 1.00 74.11 C ATOM 1112 C LEU A 73 23.238 9.845 -8.011 1.00 61.20 C ATOM 1113 O LEU A 73 23.998 9.503 -8.917 1.00 51.33 O ATOM 1114 CB LEU A 73 23.442 9.118 -5.626 1.00 41.41 C ATOM 1115 CG LEU A 73 22.789 8.483 -4.398 1.00 50.21 C ATOM 1116 CD1 LEU A 73 23.554 8.851 -3.136 1.00 65.53 C ATOM 1117 CD2 LEU A 73 21.334 8.913 -4.285 1.00 53.54 C ATOM 0 H LEU A 73 23.538 6.906 -6.711 1.00 2.03 H new ATOM 0 HA LEU A 73 21.685 8.944 -6.852 1.00 74.11 H new ATOM 0 HB2 LEU A 73 24.474 8.771 -5.684 1.00 41.41 H new ATOM 0 HB3 LEU A 73 23.476 10.197 -5.477 1.00 41.41 H new ATOM 0 HG LEU A 73 22.819 7.400 -4.514 1.00 50.21 H new ATOM 0 HD11 LEU A 73 23.075 8.390 -2.272 1.00 65.53 H new ATOM 0 HD12 LEU A 73 24.580 8.493 -3.215 1.00 65.53 H new ATOM 0 HD13 LEU A 73 23.556 9.934 -3.015 1.00 65.53 H new ATOM 0 HD21 LEU A 73 20.885 8.451 -3.405 1.00 53.54 H new ATOM 0 HD22 LEU A 73 21.281 9.998 -4.192 1.00 53.54 H new ATOM 0 HD23 LEU A 73 20.791 8.598 -5.176 1.00 53.54 H new ATOM 1129 N SER A 74 22.786 11.087 -7.875 1.00 4.40 N ATOM 1130 CA SER A 74 23.163 12.144 -8.806 1.00 44.14 C ATOM 1131 C SER A 74 24.679 12.213 -8.965 1.00 3.32 C ATOM 1132 O SER A 74 25.228 11.793 -9.983 1.00 73.55 O ATOM 1133 CB SER A 74 22.628 13.493 -8.324 1.00 14.41 C ATOM 1134 OG SER A 74 23.445 14.558 -8.777 1.00 43.41 O ATOM 0 H SER A 74 22.158 11.386 -7.129 1.00 4.40 H new ATOM 0 HA SER A 74 22.723 11.913 -9.776 1.00 44.14 H new ATOM 0 HB2 SER A 74 21.609 13.633 -8.685 1.00 14.41 H new ATOM 0 HB3 SER A 74 22.584 13.502 -7.235 1.00 14.41 H new ATOM 0 HG SER A 74 23.080 15.409 -8.457 1.00 43.41 H new ATOM 1140 N ARG A 75 25.350 12.747 -7.949 1.00 42.34 N ATOM 1141 CA ARG A 75 26.802 12.873 -7.975 1.00 44.43 C ATOM 1142 C ARG A 75 27.461 11.726 -7.214 1.00 43.55 C ATOM 1143 O ARG A 75 27.102 11.438 -6.073 1.00 34.01 O ATOM 1144 CB ARG A 75 27.230 14.212 -7.372 1.00 2.34 C ATOM 1145 CG ARG A 75 26.980 15.400 -8.286 1.00 44.32 C ATOM 1146 CD ARG A 75 27.801 16.609 -7.866 1.00 2.44 C ATOM 1147 NE ARG A 75 28.472 17.237 -9.001 1.00 24.03 N ATOM 1148 CZ ARG A 75 29.232 18.322 -8.897 1.00 63.43 C ATOM 1149 NH1 ARG A 75 29.417 18.896 -7.716 1.00 72.34 N ATOM 1150 NH2 ARG A 75 29.810 18.834 -9.976 1.00 71.14 N ATOM 0 H ARG A 75 24.911 13.099 -7.098 1.00 42.34 H new ATOM 0 HA ARG A 75 27.127 12.830 -9.015 1.00 44.43 H new ATOM 0 HB2 ARG A 75 26.695 14.366 -6.435 1.00 2.34 H new ATOM 0 HB3 ARG A 75 28.292 14.169 -7.129 1.00 2.34 H new ATOM 0 HG2 ARG A 75 27.228 15.129 -9.312 1.00 44.32 H new ATOM 0 HG3 ARG A 75 25.920 15.655 -8.271 1.00 44.32 H new ATOM 0 HD2 ARG A 75 27.151 17.337 -7.381 1.00 2.44 H new ATOM 0 HD3 ARG A 75 28.544 16.304 -7.129 1.00 2.44 H new ATOM 0 HE ARG A 75 28.351 16.820 -9.924 1.00 24.03 H new ATOM 0 HH11 ARG A 75 28.975 18.505 -6.884 1.00 72.34 H new ATOM 0 HH12 ARG A 75 30.001 19.729 -7.640 1.00 72.34 H new ATOM 0 HH21 ARG A 75 29.671 18.395 -10.886 1.00 71.14 H new ATOM 0 HH22 ARG A 75 30.393 19.667 -9.895 1.00 71.14 H new ATOM 1164 N ASP A 76 28.427 11.076 -7.855 1.00 13.33 N ATOM 1165 CA ASP A 76 29.136 9.961 -7.239 1.00 4.24 C ATOM 1166 C ASP A 76 29.704 10.362 -5.881 1.00 1.24 C ATOM 1167 O ASP A 76 30.593 11.208 -5.794 1.00 22.11 O ATOM 1168 CB ASP A 76 30.263 9.478 -8.154 1.00 33.25 C ATOM 1169 CG ASP A 76 30.889 8.185 -7.668 1.00 14.21 C ATOM 1170 OD1 ASP A 76 30.208 7.140 -7.722 1.00 12.03 O ATOM 1171 OD2 ASP A 76 32.059 8.219 -7.233 1.00 41.03 O ATOM 0 H ASP A 76 28.736 11.302 -8.800 1.00 13.33 H new ATOM 0 HA ASP A 76 28.425 9.148 -7.090 1.00 4.24 H new ATOM 0 HB2 ASP A 76 29.873 9.333 -9.161 1.00 33.25 H new ATOM 0 HB3 ASP A 76 31.031 10.249 -8.218 1.00 33.25 H new ATOM 1176 N ASN A 77 29.183 9.749 -4.823 1.00 13.43 N ATOM 1177 CA ASN A 77 29.636 10.044 -3.468 1.00 64.23 C ATOM 1178 C ASN A 77 29.555 11.540 -3.180 1.00 60.25 C ATOM 1179 O ASN A 77 30.577 12.208 -3.021 1.00 54.33 O ATOM 1180 CB ASN A 77 31.072 9.552 -3.271 1.00 51.40 C ATOM 1181 CG ASN A 77 31.267 8.128 -3.754 1.00 0.12 C ATOM 1182 OD1 ASN A 77 30.384 7.284 -3.604 1.00 31.43 O ATOM 1183 ND2 ASN A 77 32.428 7.855 -4.337 1.00 4.11 N ATOM 0 H ASN A 77 28.447 9.045 -4.878 1.00 13.43 H new ATOM 0 HA ASN A 77 28.980 9.523 -2.770 1.00 64.23 H new ATOM 0 HB2 ASN A 77 31.756 10.211 -3.806 1.00 51.40 H new ATOM 0 HB3 ASN A 77 31.332 9.613 -2.214 1.00 51.40 H new ATOM 0 HD21 ASN A 77 32.617 6.914 -4.682 1.00 4.11 H new ATOM 0 HD22 ASN A 77 33.131 8.586 -4.440 1.00 4.11 H new ATOM 1190 N ASP A 78 28.334 12.058 -3.115 1.00 13.25 N ATOM 1191 CA ASP A 78 28.118 13.475 -2.844 1.00 60.10 C ATOM 1192 C ASP A 78 26.654 13.748 -2.514 1.00 50.41 C ATOM 1193 O ASP A 78 25.919 14.309 -3.326 1.00 52.11 O ATOM 1194 CB ASP A 78 28.549 14.317 -4.046 1.00 73.11 C ATOM 1195 CG ASP A 78 28.965 15.720 -3.651 1.00 13.11 C ATOM 1196 OD1 ASP A 78 29.067 15.988 -2.436 1.00 14.13 O ATOM 1197 OD2 ASP A 78 29.188 16.551 -4.557 1.00 34.42 O ATOM 0 H ASP A 78 27.478 11.518 -3.246 1.00 13.25 H new ATOM 0 HA ASP A 78 28.724 13.751 -1.981 1.00 60.10 H new ATOM 0 HB2 ASP A 78 29.379 13.824 -4.552 1.00 73.11 H new ATOM 0 HB3 ASP A 78 27.728 14.372 -4.760 1.00 73.11 H new ATOM 1202 N ALA A 79 26.238 13.347 -1.317 1.00 54.54 N ATOM 1203 CA ALA A 79 24.862 13.550 -0.880 1.00 0.12 C ATOM 1204 C ALA A 79 24.808 13.968 0.586 1.00 61.32 C ATOM 1205 O ALA A 79 24.533 13.151 1.464 1.00 33.43 O ATOM 1206 CB ALA A 79 24.046 12.285 -1.100 1.00 62.14 C ATOM 0 H ALA A 79 26.834 12.880 -0.633 1.00 54.54 H new ATOM 0 HA ALA A 79 24.432 14.355 -1.477 1.00 0.12 H new ATOM 0 HB1 ALA A 79 23.021 12.451 -0.769 1.00 62.14 H new ATOM 0 HB2 ALA A 79 24.049 12.030 -2.160 1.00 62.14 H new ATOM 0 HB3 ALA A 79 24.483 11.466 -0.529 1.00 62.14 H new ATOM 1212 N SER A 80 25.073 15.245 0.843 1.00 63.43 N ATOM 1213 CA SER A 80 25.059 15.770 2.203 1.00 23.40 C ATOM 1214 C SER A 80 23.660 15.684 2.804 1.00 33.10 C ATOM 1215 O SER A 80 23.470 15.132 3.888 1.00 3.30 O ATOM 1216 CB SER A 80 25.545 17.220 2.217 1.00 11.34 C ATOM 1217 OG SER A 80 26.950 17.289 2.050 1.00 4.41 O ATOM 0 H SER A 80 25.300 15.935 0.127 1.00 63.43 H new ATOM 0 HA SER A 80 25.733 15.163 2.808 1.00 23.40 H new ATOM 0 HB2 SER A 80 25.053 17.779 1.421 1.00 11.34 H new ATOM 0 HB3 SER A 80 25.264 17.692 3.159 1.00 11.34 H new ATOM 0 HG SER A 80 27.162 17.385 1.098 1.00 4.41 H new ATOM 1223 N SER A 81 22.682 16.234 2.091 1.00 12.14 N ATOM 1224 CA SER A 81 21.299 16.224 2.555 1.00 43.11 C ATOM 1225 C SER A 81 20.362 15.729 1.458 1.00 60.33 C ATOM 1226 O SER A 81 20.700 15.763 0.274 1.00 13.04 O ATOM 1227 CB SER A 81 20.880 17.625 3.006 1.00 60.34 C ATOM 1228 OG SER A 81 19.470 17.727 3.109 1.00 24.50 O ATOM 0 H SER A 81 22.821 16.692 1.190 1.00 12.14 H new ATOM 0 HA SER A 81 21.231 15.542 3.402 1.00 43.11 H new ATOM 0 HB2 SER A 81 21.336 17.852 3.970 1.00 60.34 H new ATOM 0 HB3 SER A 81 21.250 18.365 2.297 1.00 60.34 H new ATOM 0 HG SER A 81 19.132 17.011 3.686 1.00 24.50 H new ATOM 1234 N VAL A 82 19.182 15.268 1.860 1.00 72.32 N ATOM 1235 CA VAL A 82 18.194 14.766 0.912 1.00 30.22 C ATOM 1236 C VAL A 82 16.776 15.022 1.410 1.00 72.43 C ATOM 1237 O VAL A 82 16.563 15.312 2.587 1.00 51.00 O ATOM 1238 CB VAL A 82 18.374 13.257 0.661 1.00 74.14 C ATOM 1239 CG1 VAL A 82 19.630 12.998 -0.157 1.00 31.42 C ATOM 1240 CG2 VAL A 82 18.419 12.499 1.979 1.00 45.12 C ATOM 0 H VAL A 82 18.887 15.232 2.836 1.00 72.32 H new ATOM 0 HA VAL A 82 18.350 15.303 -0.023 1.00 30.22 H new ATOM 0 HB VAL A 82 17.518 12.896 0.091 1.00 74.14 H new ATOM 0 HG11 VAL A 82 19.741 11.927 -0.324 1.00 31.42 H new ATOM 0 HG12 VAL A 82 19.551 13.509 -1.117 1.00 31.42 H new ATOM 0 HG13 VAL A 82 20.500 13.373 0.383 1.00 31.42 H new ATOM 0 HG21 VAL A 82 18.547 11.435 1.782 1.00 45.12 H new ATOM 0 HG22 VAL A 82 19.255 12.860 2.578 1.00 45.12 H new ATOM 0 HG23 VAL A 82 17.488 12.658 2.522 1.00 45.12 H new ATOM 1250 N ARG A 83 15.808 14.911 0.505 1.00 4.21 N ATOM 1251 CA ARG A 83 14.409 15.131 0.852 1.00 45.32 C ATOM 1252 C ARG A 83 13.521 14.056 0.233 1.00 15.34 C ATOM 1253 O ARG A 83 13.598 13.786 -0.965 1.00 73.22 O ATOM 1254 CB ARG A 83 13.957 16.515 0.382 1.00 60.12 C ATOM 1255 CG ARG A 83 12.501 16.819 0.696 1.00 3.01 C ATOM 1256 CD ARG A 83 11.807 17.494 -0.477 1.00 25.12 C ATOM 1257 NE ARG A 83 10.602 18.207 -0.063 1.00 31.11 N ATOM 1258 CZ ARG A 83 9.973 19.093 -0.827 1.00 43.03 C ATOM 1259 NH1 ARG A 83 10.433 19.373 -2.039 1.00 4.12 N ATOM 1260 NH2 ARG A 83 8.882 19.701 -0.380 1.00 73.42 N ATOM 0 H ARG A 83 15.967 14.670 -0.473 1.00 4.21 H new ATOM 0 HA ARG A 83 14.316 15.075 1.937 1.00 45.32 H new ATOM 0 HB2 ARG A 83 14.587 17.272 0.850 1.00 60.12 H new ATOM 0 HB3 ARG A 83 14.112 16.592 -0.694 1.00 60.12 H new ATOM 0 HG2 ARG A 83 11.981 15.894 0.945 1.00 3.01 H new ATOM 0 HG3 ARG A 83 12.444 17.463 1.574 1.00 3.01 H new ATOM 0 HD2 ARG A 83 12.496 18.192 -0.953 1.00 25.12 H new ATOM 0 HD3 ARG A 83 11.546 16.744 -1.224 1.00 25.12 H new ATOM 0 HE ARG A 83 10.222 18.014 0.864 1.00 31.11 H new ATOM 0 HH11 ARG A 83 11.272 18.908 -2.386 1.00 4.12 H new ATOM 0 HH12 ARG A 83 9.948 20.054 -2.624 1.00 4.12 H new ATOM 0 HH21 ARG A 83 8.525 19.488 0.552 1.00 73.42 H new ATOM 0 HH22 ARG A 83 8.400 20.381 -0.968 1.00 73.42 H new ATOM 1274 N VAL A 84 12.677 13.446 1.060 1.00 72.14 N ATOM 1275 CA VAL A 84 11.773 12.401 0.594 1.00 33.13 C ATOM 1276 C VAL A 84 10.321 12.758 0.891 1.00 13.23 C ATOM 1277 O VAL A 84 10.006 13.286 1.958 1.00 43.53 O ATOM 1278 CB VAL A 84 12.100 11.044 1.246 1.00 11.44 C ATOM 1279 CG1 VAL A 84 13.577 10.719 1.090 1.00 64.02 C ATOM 1280 CG2 VAL A 84 11.699 11.049 2.714 1.00 70.32 C ATOM 0 H VAL A 84 12.601 13.657 2.055 1.00 72.14 H new ATOM 0 HA VAL A 84 11.911 12.321 -0.484 1.00 33.13 H new ATOM 0 HB VAL A 84 11.526 10.268 0.738 1.00 11.44 H new ATOM 0 HG11 VAL A 84 13.789 9.757 1.557 1.00 64.02 H new ATOM 0 HG12 VAL A 84 13.829 10.672 0.031 1.00 64.02 H new ATOM 0 HG13 VAL A 84 14.173 11.495 1.571 1.00 64.02 H new ATOM 0 HG21 VAL A 84 11.937 10.083 3.159 1.00 70.32 H new ATOM 0 HG22 VAL A 84 12.244 11.834 3.238 1.00 70.32 H new ATOM 0 HG23 VAL A 84 10.628 11.233 2.798 1.00 70.32 H new ATOM 1290 N SER A 85 9.439 12.466 -0.059 1.00 73.22 N ATOM 1291 CA SER A 85 8.019 12.759 0.099 1.00 41.11 C ATOM 1292 C SER A 85 7.180 11.915 -0.855 1.00 63.54 C ATOM 1293 O SER A 85 7.706 11.292 -1.779 1.00 10.24 O ATOM 1294 CB SER A 85 7.753 14.245 -0.149 1.00 41.21 C ATOM 1295 OG SER A 85 8.823 15.042 0.330 1.00 71.43 O ATOM 0 H SER A 85 9.682 12.027 -0.947 1.00 73.22 H new ATOM 0 HA SER A 85 7.734 12.511 1.122 1.00 41.11 H new ATOM 0 HB2 SER A 85 7.615 14.420 -1.216 1.00 41.21 H new ATOM 0 HB3 SER A 85 6.827 14.539 0.345 1.00 41.21 H new ATOM 0 HG SER A 85 9.165 14.662 1.166 1.00 71.43 H new ATOM 1301 N LYS A 86 5.872 11.898 -0.626 1.00 33.52 N ATOM 1302 CA LYS A 86 4.957 11.131 -1.464 1.00 42.30 C ATOM 1303 C LYS A 86 4.230 12.041 -2.449 1.00 1.21 C ATOM 1304 O LYS A 86 3.510 12.955 -2.048 1.00 51.12 O ATOM 1305 CB LYS A 86 3.941 10.386 -0.596 1.00 71.44 C ATOM 1306 CG LYS A 86 4.393 8.993 -0.191 1.00 12.31 C ATOM 1307 CD LYS A 86 4.237 8.770 1.304 1.00 23.11 C ATOM 1308 CE LYS A 86 2.865 8.210 1.644 1.00 33.21 C ATOM 1309 NZ LYS A 86 1.969 9.250 2.222 1.00 20.52 N ATOM 0 H LYS A 86 5.421 12.407 0.134 1.00 33.52 H new ATOM 0 HA LYS A 86 5.543 10.406 -2.030 1.00 42.30 H new ATOM 0 HB2 LYS A 86 3.745 10.971 0.303 1.00 71.44 H new ATOM 0 HB3 LYS A 86 2.999 10.310 -1.139 1.00 71.44 H new ATOM 0 HG2 LYS A 86 3.811 8.248 -0.734 1.00 12.31 H new ATOM 0 HG3 LYS A 86 5.436 8.851 -0.474 1.00 12.31 H new ATOM 0 HD2 LYS A 86 5.008 8.083 1.653 1.00 23.11 H new ATOM 0 HD3 LYS A 86 4.387 9.712 1.831 1.00 23.11 H new ATOM 0 HE2 LYS A 86 2.409 7.796 0.745 1.00 33.21 H new ATOM 0 HE3 LYS A 86 2.973 7.389 2.353 1.00 33.21 H new ATOM 0 HZ1 LYS A 86 1.044 8.829 2.440 1.00 20.52 H new ATOM 0 HZ2 LYS A 86 2.392 9.627 3.094 1.00 20.52 H new ATOM 0 HZ3 LYS A 86 1.845 10.022 1.536 1.00 20.52 H new ATOM 1323 N MET A 87 4.423 11.784 -3.738 1.00 75.34 N ATOM 1324 CA MET A 87 3.782 12.579 -4.780 1.00 21.41 C ATOM 1325 C MET A 87 2.538 11.875 -5.314 1.00 25.14 C ATOM 1326 O MET A 87 1.414 12.244 -4.978 1.00 12.24 O ATOM 1327 CB MET A 87 4.763 12.844 -5.924 1.00 14.20 C ATOM 1328 CG MET A 87 4.147 13.604 -7.088 1.00 0.13 C ATOM 1329 SD MET A 87 5.381 14.191 -8.264 1.00 71.03 S ATOM 1330 CE MET A 87 5.094 15.958 -8.202 1.00 65.00 C ATOM 0 H MET A 87 5.018 11.032 -4.087 1.00 75.34 H new ATOM 0 HA MET A 87 3.479 13.530 -4.342 1.00 21.41 H new ATOM 0 HB2 MET A 87 5.612 13.409 -5.540 1.00 14.20 H new ATOM 0 HB3 MET A 87 5.151 11.892 -6.287 1.00 14.20 H new ATOM 0 HG2 MET A 87 3.437 12.958 -7.604 1.00 0.13 H new ATOM 0 HG3 MET A 87 3.583 14.454 -6.704 1.00 0.13 H new ATOM 0 HE1 MET A 87 5.784 16.463 -8.879 1.00 65.00 H new ATOM 0 HE2 MET A 87 4.068 16.171 -8.504 1.00 65.00 H new ATOM 0 HE3 MET A 87 5.255 16.317 -7.186 1.00 65.00 H new