USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 798 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 2 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0174) USER MOD Set 1.2: A 73 THR OG1 : rot 150:sc= 0 USER MOD Single : A 1 MET CE :methyl 166:sc= -3.91! (180deg=-5.02) USER MOD Single : A 1 MET N :NH3+ 159:sc= 1.25 (180deg=1.23) USER MOD Single : A 4 TYR OH : rot 33:sc= 0.471 USER MOD Single : A 7 ASN : amide:sc= -0.931 X(o=-0.93,f=-0.72) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -84:sc= 0.729 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 30:sc= -0.222 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 180:sc=-0.00504 USER MOD Single : A 65 SER OG : rot 91:sc= 0.845 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= -0.742 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= -1.32 K(o=-1.3,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.014) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.311 -1.372 -0.779 1.00 43.11 N ATOM 2 CA MET A 1 2.132 -1.464 -1.981 1.00 54.03 C ATOM 3 C MET A 1 3.542 -0.946 -1.718 1.00 60.10 C ATOM 4 O MET A 1 3.787 -0.259 -0.726 1.00 43.13 O ATOM 5 CB MET A 1 1.491 -0.674 -3.124 1.00 15.23 C ATOM 6 CG MET A 1 0.907 -1.553 -4.218 1.00 42.31 C ATOM 7 SD MET A 1 2.153 -2.576 -5.025 1.00 62.20 S ATOM 8 CE MET A 1 3.247 -1.321 -5.685 1.00 3.24 C ATOM 0 H1 MET A 1 0.305 -1.382 -1.044 1.00 43.11 H new ATOM 0 H2 MET A 1 1.513 -2.181 -0.158 1.00 43.11 H new ATOM 0 H3 MET A 1 1.528 -0.487 -0.277 1.00 43.11 H new ATOM 0 HA MET A 1 2.197 -2.514 -2.266 1.00 54.03 H new ATOM 0 HB2 MET A 1 0.702 -0.040 -2.719 1.00 15.23 H new ATOM 0 HB3 MET A 1 2.239 -0.012 -3.561 1.00 15.23 H new ATOM 0 HG2 MET A 1 0.137 -2.195 -3.791 1.00 42.31 H new ATOM 0 HG3 MET A 1 0.420 -0.924 -4.963 1.00 42.31 H new ATOM 0 HE1 MET A 1 4.186 -1.782 -5.992 1.00 3.24 H new ATOM 0 HE2 MET A 1 2.777 -0.845 -6.546 1.00 3.24 H new ATOM 0 HE3 MET A 1 3.445 -0.571 -4.919 1.00 3.24 H new ATOM 18 N LYS A 2 4.467 -1.280 -2.612 1.00 34.21 N ATOM 19 CA LYS A 2 5.853 -0.849 -2.477 1.00 52.55 C ATOM 20 C LYS A 2 6.257 0.054 -3.639 1.00 72.31 C ATOM 21 O LYS A 2 5.831 -0.152 -4.776 1.00 33.34 O ATOM 22 CB LYS A 2 6.783 -2.062 -2.413 1.00 74.44 C ATOM 23 CG LYS A 2 6.390 -3.073 -1.350 1.00 24.50 C ATOM 24 CD LYS A 2 7.351 -4.250 -1.318 1.00 23.12 C ATOM 25 CE LYS A 2 6.899 -5.312 -0.327 1.00 62.02 C ATOM 26 NZ LYS A 2 5.728 -6.080 -0.833 1.00 63.35 N ATOM 0 H LYS A 2 4.281 -1.848 -3.438 1.00 34.21 H new ATOM 0 HA LYS A 2 5.942 -0.282 -1.550 1.00 52.55 H new ATOM 0 HB2 LYS A 2 6.792 -2.554 -3.385 1.00 74.44 H new ATOM 0 HB3 LYS A 2 7.800 -1.720 -2.219 1.00 74.44 H new ATOM 0 HG2 LYS A 2 6.374 -2.588 -0.374 1.00 24.50 H new ATOM 0 HG3 LYS A 2 5.379 -3.432 -1.544 1.00 24.50 H new ATOM 0 HD2 LYS A 2 7.425 -4.688 -2.313 1.00 23.12 H new ATOM 0 HD3 LYS A 2 8.348 -3.900 -1.049 1.00 23.12 H new ATOM 0 HE2 LYS A 2 7.723 -5.997 -0.127 1.00 62.02 H new ATOM 0 HE3 LYS A 2 6.641 -4.839 0.620 1.00 62.02 H new ATOM 0 HZ1 LYS A 2 5.514 -6.858 -0.177 1.00 63.35 H new ATOM 0 HZ2 LYS A 2 4.904 -5.450 -0.903 1.00 63.35 H new ATOM 0 HZ3 LYS A 2 5.948 -6.469 -1.772 1.00 63.35 H new ATOM 40 N VAL A 3 7.082 1.054 -3.347 1.00 24.44 N ATOM 41 CA VAL A 3 7.546 1.986 -4.367 1.00 61.34 C ATOM 42 C VAL A 3 9.062 2.145 -4.319 1.00 35.51 C ATOM 43 O VAL A 3 9.651 2.248 -3.243 1.00 63.01 O ATOM 44 CB VAL A 3 6.890 3.370 -4.203 1.00 64.31 C ATOM 45 CG1 VAL A 3 6.367 3.875 -5.539 1.00 45.01 C ATOM 46 CG2 VAL A 3 5.774 3.311 -3.172 1.00 35.40 C ATOM 0 H VAL A 3 7.443 1.240 -2.411 1.00 24.44 H new ATOM 0 HA VAL A 3 7.258 1.568 -5.332 1.00 61.34 H new ATOM 0 HB VAL A 3 7.645 4.071 -3.848 1.00 64.31 H new ATOM 0 HG11 VAL A 3 5.907 4.854 -5.403 1.00 45.01 H new ATOM 0 HG12 VAL A 3 7.193 3.957 -6.246 1.00 45.01 H new ATOM 0 HG13 VAL A 3 5.626 3.176 -5.927 1.00 45.01 H new ATOM 0 HG21 VAL A 3 5.322 4.297 -3.069 1.00 35.40 H new ATOM 0 HG22 VAL A 3 5.017 2.597 -3.496 1.00 35.40 H new ATOM 0 HG23 VAL A 3 6.182 2.997 -2.211 1.00 35.40 H new ATOM 56 N TYR A 4 9.686 2.164 -5.491 1.00 24.51 N ATOM 57 CA TYR A 4 11.134 2.308 -5.583 1.00 24.12 C ATOM 58 C TYR A 4 11.508 3.545 -6.393 1.00 42.41 C ATOM 59 O TYR A 4 11.225 3.628 -7.588 1.00 51.32 O ATOM 60 CB TYR A 4 11.753 1.062 -6.219 1.00 71.01 C ATOM 61 CG TYR A 4 12.825 1.372 -7.239 1.00 61.21 C ATOM 62 CD1 TYR A 4 14.052 1.894 -6.850 1.00 23.13 C ATOM 63 CD2 TYR A 4 12.611 1.141 -8.593 1.00 1.34 C ATOM 64 CE1 TYR A 4 15.034 2.179 -7.778 1.00 43.14 C ATOM 65 CE2 TYR A 4 13.588 1.422 -9.528 1.00 40.12 C ATOM 66 CZ TYR A 4 14.798 1.941 -9.116 1.00 54.33 C ATOM 67 OH TYR A 4 15.774 2.223 -10.044 1.00 71.33 O ATOM 0 H TYR A 4 9.212 2.082 -6.390 1.00 24.51 H new ATOM 0 HA TYR A 4 11.526 2.425 -4.573 1.00 24.12 H new ATOM 0 HB2 TYR A 4 12.180 0.438 -5.434 1.00 71.01 H new ATOM 0 HB3 TYR A 4 10.966 0.479 -6.697 1.00 71.01 H new ATOM 0 HD1 TYR A 4 14.241 2.080 -5.803 1.00 23.13 H new ATOM 0 HD2 TYR A 4 11.665 0.735 -8.919 1.00 1.34 H new ATOM 0 HE1 TYR A 4 15.982 2.586 -7.458 1.00 43.14 H new ATOM 0 HE2 TYR A 4 13.406 1.236 -10.576 1.00 40.12 H new ATOM 0 HH TYR A 4 16.657 2.064 -9.649 1.00 71.33 H new ATOM 77 N VAL A 5 12.147 4.506 -5.733 1.00 65.01 N ATOM 78 CA VAL A 5 12.563 5.739 -6.391 1.00 13.34 C ATOM 79 C VAL A 5 14.071 5.935 -6.290 1.00 23.23 C ATOM 80 O VAL A 5 14.590 6.310 -5.239 1.00 64.13 O ATOM 81 CB VAL A 5 11.855 6.965 -5.783 1.00 5.14 C ATOM 82 CG1 VAL A 5 10.447 7.100 -6.341 1.00 0.41 C ATOM 83 CG2 VAL A 5 11.829 6.866 -4.265 1.00 20.01 C ATOM 0 H VAL A 5 12.388 4.454 -4.743 1.00 65.01 H new ATOM 0 HA VAL A 5 12.282 5.648 -7.440 1.00 13.34 H new ATOM 0 HB VAL A 5 12.415 7.859 -6.057 1.00 5.14 H new ATOM 0 HG11 VAL A 5 9.963 7.971 -5.900 1.00 0.41 H new ATOM 0 HG12 VAL A 5 10.495 7.220 -7.423 1.00 0.41 H new ATOM 0 HG13 VAL A 5 9.873 6.205 -6.100 1.00 0.41 H new ATOM 0 HG21 VAL A 5 11.325 7.740 -3.852 1.00 20.01 H new ATOM 0 HG22 VAL A 5 11.293 5.964 -3.968 1.00 20.01 H new ATOM 0 HG23 VAL A 5 12.850 6.823 -3.886 1.00 20.01 H new ATOM 93 N GLY A 6 14.771 5.678 -7.391 1.00 11.11 N ATOM 94 CA GLY A 6 16.214 5.832 -7.406 1.00 31.23 C ATOM 95 C GLY A 6 16.680 6.834 -8.443 1.00 14.41 C ATOM 96 O GLY A 6 15.903 7.673 -8.898 1.00 33.30 O ATOM 0 H GLY A 6 14.364 5.366 -8.273 1.00 11.11 H new ATOM 0 HA2 GLY A 6 16.552 6.150 -6.420 1.00 31.23 H new ATOM 0 HA3 GLY A 6 16.677 4.866 -7.605 1.00 31.23 H new ATOM 100 N ASN A 7 17.952 6.749 -8.816 1.00 43.33 N ATOM 101 CA ASN A 7 18.521 7.658 -9.805 1.00 1.21 C ATOM 102 C ASN A 7 18.505 9.096 -9.295 1.00 24.13 C ATOM 103 O ASN A 7 17.846 9.963 -9.870 1.00 5.33 O ATOM 104 CB ASN A 7 17.746 7.564 -11.121 1.00 21.43 C ATOM 105 CG ASN A 7 18.290 6.484 -12.036 1.00 64.10 C ATOM 106 OD1 ASN A 7 18.895 6.776 -13.068 1.00 4.14 O ATOM 107 ND2 ASN A 7 18.077 5.228 -11.661 1.00 71.14 N ATOM 0 H ASN A 7 18.609 6.060 -8.449 1.00 43.33 H new ATOM 0 HA ASN A 7 19.556 7.364 -9.979 1.00 1.21 H new ATOM 0 HB2 ASN A 7 16.696 7.361 -10.908 1.00 21.43 H new ATOM 0 HB3 ASN A 7 17.787 8.525 -11.633 1.00 21.43 H new ATOM 0 HD21 ASN A 7 18.420 4.459 -12.236 1.00 71.14 H new ATOM 0 HD22 ASN A 7 17.571 5.032 -10.797 1.00 71.14 H new ATOM 114 N LEU A 8 19.235 9.342 -8.212 1.00 65.34 N ATOM 115 CA LEU A 8 19.307 10.675 -7.624 1.00 72.31 C ATOM 116 C LEU A 8 20.658 11.323 -7.906 1.00 64.13 C ATOM 117 O LEU A 8 21.616 11.139 -7.156 1.00 34.43 O ATOM 118 CB LEU A 8 19.069 10.601 -6.115 1.00 30.12 C ATOM 119 CG LEU A 8 17.979 9.632 -5.654 1.00 5.24 C ATOM 120 CD1 LEU A 8 17.781 9.729 -4.149 1.00 52.50 C ATOM 121 CD2 LEU A 8 16.674 9.910 -6.385 1.00 2.11 C ATOM 0 H LEU A 8 19.785 8.636 -7.724 1.00 65.34 H new ATOM 0 HA LEU A 8 18.529 11.288 -8.079 1.00 72.31 H new ATOM 0 HB2 LEU A 8 20.005 10.319 -5.633 1.00 30.12 H new ATOM 0 HB3 LEU A 8 18.815 11.599 -5.758 1.00 30.12 H new ATOM 0 HG LEU A 8 18.297 8.617 -5.893 1.00 5.24 H new ATOM 0 HD11 LEU A 8 17.002 9.033 -3.839 1.00 52.50 H new ATOM 0 HD12 LEU A 8 18.713 9.479 -3.643 1.00 52.50 H new ATOM 0 HD13 LEU A 8 17.486 10.745 -3.886 1.00 52.50 H new ATOM 0 HD21 LEU A 8 15.910 9.211 -6.044 1.00 2.11 H new ATOM 0 HD22 LEU A 8 16.351 10.930 -6.178 1.00 2.11 H new ATOM 0 HD23 LEU A 8 16.825 9.788 -7.458 1.00 2.11 H new ATOM 133 N GLY A 9 20.728 12.085 -8.994 1.00 2.13 N ATOM 134 CA GLY A 9 21.966 12.751 -9.355 1.00 21.04 C ATOM 135 C GLY A 9 22.550 13.550 -8.207 1.00 4.41 C ATOM 136 O GLY A 9 23.674 13.297 -7.772 1.00 4.10 O ATOM 0 H GLY A 9 19.950 12.253 -9.631 1.00 2.13 H new ATOM 0 HA2 GLY A 9 22.693 12.008 -9.683 1.00 21.04 H new ATOM 0 HA3 GLY A 9 21.785 13.415 -10.201 1.00 21.04 H new ATOM 140 N THR A 10 21.787 14.521 -7.714 1.00 72.05 N ATOM 141 CA THR A 10 22.236 15.362 -6.613 1.00 1.25 C ATOM 142 C THR A 10 21.185 16.407 -6.254 1.00 61.51 C ATOM 143 O THR A 10 21.042 16.783 -5.092 1.00 15.42 O ATOM 144 CB THR A 10 23.558 16.076 -6.954 1.00 14.44 C ATOM 145 OG1 THR A 10 23.845 17.073 -5.966 1.00 53.24 O ATOM 146 CG2 THR A 10 23.484 16.723 -8.328 1.00 52.54 C ATOM 0 H THR A 10 20.854 14.744 -8.061 1.00 72.05 H new ATOM 0 HA THR A 10 22.397 14.704 -5.759 1.00 1.25 H new ATOM 0 HB THR A 10 24.356 15.333 -6.962 1.00 14.44 H new ATOM 0 HG1 THR A 10 24.687 17.521 -6.189 1.00 53.24 H new ATOM 0 HG21 THR A 10 24.429 17.221 -8.547 1.00 52.54 H new ATOM 0 HG22 THR A 10 23.294 15.958 -9.081 1.00 52.54 H new ATOM 0 HG23 THR A 10 22.676 17.455 -8.343 1.00 52.54 H new ATOM 154 N GLY A 11 20.451 16.871 -7.261 1.00 31.41 N ATOM 155 CA GLY A 11 19.421 17.867 -7.030 1.00 44.25 C ATOM 156 C GLY A 11 18.034 17.261 -6.955 1.00 22.10 C ATOM 157 O GLY A 11 17.063 17.953 -6.653 1.00 13.23 O ATOM 0 H GLY A 11 20.551 16.575 -8.232 1.00 31.41 H new ATOM 0 HA2 GLY A 11 19.634 18.396 -6.101 1.00 44.25 H new ATOM 0 HA3 GLY A 11 19.448 18.606 -7.831 1.00 44.25 H new ATOM 161 N ALA A 12 17.941 15.964 -7.232 1.00 12.50 N ATOM 162 CA ALA A 12 16.662 15.265 -7.194 1.00 4.34 C ATOM 163 C ALA A 12 16.756 13.996 -6.354 1.00 60.32 C ATOM 164 O ALA A 12 17.320 12.993 -6.789 1.00 60.51 O ATOM 165 CB ALA A 12 16.199 14.934 -8.605 1.00 2.53 C ATOM 0 H ALA A 12 18.736 15.377 -7.485 1.00 12.50 H new ATOM 0 HA ALA A 12 15.929 15.924 -6.729 1.00 4.34 H new ATOM 0 HB1 ALA A 12 15.243 14.412 -8.561 1.00 2.53 H new ATOM 0 HB2 ALA A 12 16.084 15.855 -9.176 1.00 2.53 H new ATOM 0 HB3 ALA A 12 16.938 14.297 -9.090 1.00 2.53 H new ATOM 171 N GLY A 13 16.200 14.047 -5.148 1.00 34.24 N ATOM 172 CA GLY A 13 16.232 12.894 -4.266 1.00 44.42 C ATOM 173 C GLY A 13 15.078 12.883 -3.284 1.00 71.30 C ATOM 174 O GLY A 13 13.913 12.876 -3.683 1.00 21.00 O ATOM 0 H GLY A 13 15.728 14.866 -4.765 1.00 34.24 H new ATOM 0 HA2 GLY A 13 16.205 11.983 -4.863 1.00 44.42 H new ATOM 0 HA3 GLY A 13 17.173 12.887 -3.716 1.00 44.42 H new ATOM 178 N LYS A 14 15.400 12.879 -1.995 1.00 31.41 N ATOM 179 CA LYS A 14 14.382 12.867 -0.951 1.00 55.05 C ATOM 180 C LYS A 14 13.352 13.968 -1.184 1.00 1.44 C ATOM 181 O LYS A 14 12.147 13.720 -1.162 1.00 4.05 O ATOM 182 CB LYS A 14 15.029 13.041 0.424 1.00 44.50 C ATOM 183 CG LYS A 14 14.183 12.509 1.567 1.00 31.40 C ATOM 184 CD LYS A 14 15.010 12.304 2.825 1.00 11.32 C ATOM 185 CE LYS A 14 14.767 13.413 3.838 1.00 45.13 C ATOM 186 NZ LYS A 14 15.609 14.610 3.561 1.00 11.34 N ATOM 0 H LYS A 14 16.359 12.884 -1.648 1.00 31.41 H new ATOM 0 HA LYS A 14 13.873 11.904 -0.986 1.00 55.05 H new ATOM 0 HB2 LYS A 14 15.993 12.532 0.429 1.00 44.50 H new ATOM 0 HB3 LYS A 14 15.226 14.100 0.592 1.00 44.50 H new ATOM 0 HG2 LYS A 14 13.371 13.205 1.774 1.00 31.40 H new ATOM 0 HG3 LYS A 14 13.726 11.564 1.273 1.00 31.40 H new ATOM 0 HD2 LYS A 14 14.763 11.341 3.272 1.00 11.32 H new ATOM 0 HD3 LYS A 14 16.068 12.272 2.565 1.00 11.32 H new ATOM 0 HE2 LYS A 14 13.715 13.697 3.821 1.00 45.13 H new ATOM 0 HE3 LYS A 14 14.981 13.043 4.841 1.00 45.13 H new ATOM 0 HZ1 LYS A 14 15.415 15.343 4.272 1.00 11.34 H new ATOM 0 HZ2 LYS A 14 16.614 14.345 3.603 1.00 11.34 H new ATOM 0 HZ3 LYS A 14 15.387 14.979 2.614 1.00 11.34 H new ATOM 200 N GLY A 15 13.835 15.187 -1.408 1.00 25.33 N ATOM 201 CA GLY A 15 12.943 16.307 -1.642 1.00 45.11 C ATOM 202 C GLY A 15 12.143 16.153 -2.920 1.00 14.12 C ATOM 203 O GLY A 15 10.948 16.447 -2.950 1.00 21.02 O ATOM 0 H GLY A 15 14.828 15.418 -1.431 1.00 25.33 H new ATOM 0 HA2 GLY A 15 12.259 16.406 -0.799 1.00 45.11 H new ATOM 0 HA3 GLY A 15 13.525 17.227 -1.690 1.00 45.11 H new ATOM 207 N GLU A 16 12.802 15.693 -3.978 1.00 63.42 N ATOM 208 CA GLU A 16 12.143 15.503 -5.265 1.00 44.11 C ATOM 209 C GLU A 16 11.015 14.482 -5.154 1.00 22.55 C ATOM 210 O GLU A 16 9.857 14.785 -5.441 1.00 14.21 O ATOM 211 CB GLU A 16 13.155 15.049 -6.319 1.00 62.32 C ATOM 212 CG GLU A 16 13.087 15.845 -7.611 1.00 44.52 C ATOM 213 CD GLU A 16 13.669 17.239 -7.469 1.00 21.43 C ATOM 214 OE1 GLU A 16 13.341 17.919 -6.474 1.00 22.32 O ATOM 215 OE2 GLU A 16 14.451 17.649 -8.351 1.00 64.32 O ATOM 0 H GLU A 16 13.791 15.445 -3.970 1.00 63.42 H new ATOM 0 HA GLU A 16 11.716 16.458 -5.570 1.00 44.11 H new ATOM 0 HB2 GLU A 16 14.160 15.130 -5.904 1.00 62.32 H new ATOM 0 HB3 GLU A 16 12.987 13.995 -6.542 1.00 62.32 H new ATOM 0 HG2 GLU A 16 13.625 15.309 -8.393 1.00 44.52 H new ATOM 0 HG3 GLU A 16 12.048 15.920 -7.933 1.00 44.52 H new ATOM 222 N LEU A 17 11.362 13.269 -4.735 1.00 41.40 N ATOM 223 CA LEU A 17 10.380 12.201 -4.585 1.00 53.45 C ATOM 224 C LEU A 17 9.306 12.587 -3.573 1.00 21.11 C ATOM 225 O LEU A 17 8.144 12.208 -3.712 1.00 52.05 O ATOM 226 CB LEU A 17 11.067 10.907 -4.149 1.00 24.43 C ATOM 227 CG LEU A 17 11.368 10.777 -2.655 1.00 44.32 C ATOM 228 CD1 LEU A 17 10.191 10.150 -1.926 1.00 14.24 C ATOM 229 CD2 LEU A 17 12.632 9.958 -2.435 1.00 11.43 C ATOM 0 H LEU A 17 12.316 13.001 -4.493 1.00 41.40 H new ATOM 0 HA LEU A 17 9.902 12.042 -5.552 1.00 53.45 H new ATOM 0 HB2 LEU A 17 10.439 10.068 -4.447 1.00 24.43 H new ATOM 0 HB3 LEU A 17 12.004 10.814 -4.697 1.00 24.43 H new ATOM 0 HG LEU A 17 11.530 11.775 -2.248 1.00 44.32 H new ATOM 0 HD11 LEU A 17 10.424 10.066 -0.864 1.00 14.24 H new ATOM 0 HD12 LEU A 17 9.308 10.776 -2.055 1.00 14.24 H new ATOM 0 HD13 LEU A 17 9.996 9.158 -2.335 1.00 14.24 H new ATOM 0 HD21 LEU A 17 12.831 9.876 -1.366 1.00 11.43 H new ATOM 0 HD22 LEU A 17 12.498 8.962 -2.857 1.00 11.43 H new ATOM 0 HD23 LEU A 17 13.473 10.449 -2.924 1.00 11.43 H new ATOM 241 N GLU A 18 9.704 13.344 -2.555 1.00 42.13 N ATOM 242 CA GLU A 18 8.775 13.782 -1.520 1.00 72.14 C ATOM 243 C GLU A 18 7.688 14.677 -2.109 1.00 32.14 C ATOM 244 O GLU A 18 6.500 14.482 -1.848 1.00 4.40 O ATOM 245 CB GLU A 18 9.523 14.529 -0.415 1.00 1.33 C ATOM 246 CG GLU A 18 8.607 15.168 0.616 1.00 42.24 C ATOM 247 CD GLU A 18 9.333 15.530 1.897 1.00 60.20 C ATOM 248 OE1 GLU A 18 10.217 16.411 1.851 1.00 75.23 O ATOM 249 OE2 GLU A 18 9.017 14.931 2.946 1.00 14.14 O ATOM 0 H GLU A 18 10.663 13.666 -2.425 1.00 42.13 H new ATOM 0 HA GLU A 18 8.302 12.897 -1.094 1.00 72.14 H new ATOM 0 HB2 GLU A 18 10.196 13.836 0.089 1.00 1.33 H new ATOM 0 HB3 GLU A 18 10.143 15.303 -0.867 1.00 1.33 H new ATOM 0 HG2 GLU A 18 8.158 16.066 0.191 1.00 42.24 H new ATOM 0 HG3 GLU A 18 7.791 14.483 0.846 1.00 42.24 H new ATOM 256 N ARG A 19 8.103 15.658 -2.903 1.00 2.33 N ATOM 257 CA ARG A 19 7.166 16.585 -3.527 1.00 21.33 C ATOM 258 C ARG A 19 6.240 15.853 -4.494 1.00 22.55 C ATOM 259 O ARG A 19 5.028 16.067 -4.491 1.00 24.05 O ATOM 260 CB ARG A 19 7.924 17.689 -4.267 1.00 33.34 C ATOM 261 CG ARG A 19 7.058 18.885 -4.627 1.00 4.35 C ATOM 262 CD ARG A 19 7.724 20.194 -4.230 1.00 20.33 C ATOM 263 NE ARG A 19 8.806 20.556 -5.141 1.00 71.14 N ATOM 264 CZ ARG A 19 9.476 21.701 -5.069 1.00 33.30 C ATOM 265 NH1 ARG A 19 9.176 22.590 -4.132 1.00 24.42 N ATOM 266 NH2 ARG A 19 10.448 21.958 -5.935 1.00 13.11 N ATOM 0 H ARG A 19 9.082 15.832 -3.130 1.00 2.33 H new ATOM 0 HA ARG A 19 6.560 17.034 -2.740 1.00 21.33 H new ATOM 0 HB2 ARG A 19 8.755 18.026 -3.647 1.00 33.34 H new ATOM 0 HB3 ARG A 19 8.354 17.275 -5.179 1.00 33.34 H new ATOM 0 HG2 ARG A 19 6.863 18.885 -5.699 1.00 4.35 H new ATOM 0 HG3 ARG A 19 6.093 18.800 -4.128 1.00 4.35 H new ATOM 0 HD2 ARG A 19 6.980 20.990 -4.217 1.00 20.33 H new ATOM 0 HD3 ARG A 19 8.117 20.108 -3.217 1.00 20.33 H new ATOM 0 HE ARG A 19 9.062 19.893 -5.873 1.00 71.14 H new ATOM 0 HH11 ARG A 19 8.430 22.395 -3.465 1.00 24.42 H new ATOM 0 HH12 ARG A 19 9.692 23.468 -4.079 1.00 24.42 H new ATOM 0 HH21 ARG A 19 10.681 21.276 -6.657 1.00 13.11 H new ATOM 0 HH22 ARG A 19 10.962 22.837 -5.879 1.00 13.11 H new ATOM 280 N ALA A 20 6.820 14.988 -5.320 1.00 11.11 N ATOM 281 CA ALA A 20 6.047 14.223 -6.291 1.00 1.42 C ATOM 282 C ALA A 20 5.048 13.304 -5.596 1.00 5.00 C ATOM 283 O ALA A 20 3.837 13.441 -5.771 1.00 5.02 O ATOM 284 CB ALA A 20 6.975 13.417 -7.187 1.00 24.33 C ATOM 0 H ALA A 20 7.822 14.800 -5.336 1.00 11.11 H new ATOM 0 HA ALA A 20 5.486 14.926 -6.907 1.00 1.42 H new ATOM 0 HB1 ALA A 20 6.384 12.851 -7.907 1.00 24.33 H new ATOM 0 HB2 ALA A 20 7.645 14.093 -7.719 1.00 24.33 H new ATOM 0 HB3 ALA A 20 7.562 12.729 -6.578 1.00 24.33 H new ATOM 290 N PHE A 21 5.564 12.366 -4.808 1.00 13.32 N ATOM 291 CA PHE A 21 4.717 11.423 -4.088 1.00 33.42 C ATOM 292 C PHE A 21 3.625 12.154 -3.313 1.00 34.05 C ATOM 293 O PHE A 21 2.440 11.846 -3.447 1.00 45.13 O ATOM 294 CB PHE A 21 5.559 10.577 -3.130 1.00 75.00 C ATOM 295 CG PHE A 21 6.174 9.370 -3.779 1.00 2.41 C ATOM 296 CD1 PHE A 21 7.012 9.508 -4.874 1.00 51.10 C ATOM 297 CD2 PHE A 21 5.916 8.099 -3.294 1.00 31.34 C ATOM 298 CE1 PHE A 21 7.579 8.399 -5.473 1.00 41.44 C ATOM 299 CE2 PHE A 21 6.481 6.986 -3.889 1.00 14.24 C ATOM 300 CZ PHE A 21 7.314 7.137 -4.979 1.00 41.04 C ATOM 0 H PHE A 21 6.564 12.239 -4.652 1.00 13.32 H new ATOM 0 HA PHE A 21 4.243 10.768 -4.819 1.00 33.42 H new ATOM 0 HB2 PHE A 21 6.351 11.197 -2.711 1.00 75.00 H new ATOM 0 HB3 PHE A 21 4.933 10.253 -2.298 1.00 75.00 H new ATOM 0 HD1 PHE A 21 7.224 10.493 -5.263 1.00 51.10 H new ATOM 0 HD2 PHE A 21 5.266 7.975 -2.441 1.00 31.34 H new ATOM 0 HE1 PHE A 21 8.229 8.519 -6.327 1.00 41.44 H new ATOM 0 HE2 PHE A 21 6.271 6.000 -3.501 1.00 14.24 H new ATOM 0 HZ PHE A 21 7.758 6.270 -5.445 1.00 41.04 H new ATOM 310 N SER A 22 4.032 13.124 -2.500 1.00 63.31 N ATOM 311 CA SER A 22 3.090 13.897 -1.699 1.00 62.33 C ATOM 312 C SER A 22 2.018 14.529 -2.582 1.00 21.13 C ATOM 313 O SER A 22 0.835 14.526 -2.239 1.00 44.43 O ATOM 314 CB SER A 22 3.827 14.984 -0.914 1.00 60.35 C ATOM 315 OG SER A 22 4.357 15.970 -1.783 1.00 71.35 O ATOM 0 H SER A 22 5.008 13.393 -2.379 1.00 63.31 H new ATOM 0 HA SER A 22 2.605 13.219 -0.997 1.00 62.33 H new ATOM 0 HB2 SER A 22 3.144 15.450 -0.203 1.00 60.35 H new ATOM 0 HB3 SER A 22 4.633 14.535 -0.334 1.00 60.35 H new ATOM 0 HG SER A 22 5.226 15.673 -2.124 1.00 71.35 H new ATOM 321 N TYR A 23 2.441 15.070 -3.719 1.00 75.20 N ATOM 322 CA TYR A 23 1.518 15.708 -4.651 1.00 3.24 C ATOM 323 C TYR A 23 0.422 14.739 -5.082 1.00 52.11 C ATOM 324 O TYR A 23 -0.760 15.083 -5.087 1.00 13.50 O ATOM 325 CB TYR A 23 2.274 16.221 -5.878 1.00 74.41 C ATOM 326 CG TYR A 23 2.538 17.709 -5.848 1.00 64.14 C ATOM 327 CD1 TYR A 23 3.042 18.322 -4.708 1.00 13.15 C ATOM 328 CD2 TYR A 23 2.285 18.502 -6.960 1.00 54.15 C ATOM 329 CE1 TYR A 23 3.285 19.682 -4.675 1.00 74.34 C ATOM 330 CE2 TYR A 23 2.526 19.862 -6.938 1.00 10.11 C ATOM 331 CZ TYR A 23 3.026 20.447 -5.793 1.00 53.21 C ATOM 332 OH TYR A 23 3.266 21.802 -5.766 1.00 60.12 O ATOM 0 H TYR A 23 3.416 15.080 -4.018 1.00 75.20 H new ATOM 0 HA TYR A 23 1.051 16.551 -4.141 1.00 3.24 H new ATOM 0 HB2 TYR A 23 3.225 15.693 -5.955 1.00 74.41 H new ATOM 0 HB3 TYR A 23 1.702 15.980 -6.774 1.00 74.41 H new ATOM 0 HD1 TYR A 23 3.248 17.725 -3.832 1.00 13.15 H new ATOM 0 HD2 TYR A 23 1.893 18.047 -7.858 1.00 54.15 H new ATOM 0 HE1 TYR A 23 3.675 20.143 -3.780 1.00 74.34 H new ATOM 0 HE2 TYR A 23 2.324 20.464 -7.812 1.00 10.11 H new ATOM 0 HH TYR A 23 3.032 22.193 -6.634 1.00 60.12 H new ATOM 342 N TYR A 24 0.823 13.525 -5.443 1.00 50.42 N ATOM 343 CA TYR A 24 -0.124 12.505 -5.878 1.00 42.53 C ATOM 344 C TYR A 24 -0.935 11.977 -4.699 1.00 70.23 C ATOM 345 O TYR A 24 -2.114 11.655 -4.837 1.00 74.00 O ATOM 346 CB TYR A 24 0.614 11.353 -6.562 1.00 22.04 C ATOM 347 CG TYR A 24 1.006 11.648 -7.992 1.00 1.22 C ATOM 348 CD1 TYR A 24 1.885 12.682 -8.293 1.00 21.55 C ATOM 349 CD2 TYR A 24 0.497 10.895 -9.042 1.00 72.12 C ATOM 350 CE1 TYR A 24 2.246 12.956 -9.598 1.00 34.53 C ATOM 351 CE2 TYR A 24 0.853 11.161 -10.350 1.00 71.22 C ATOM 352 CZ TYR A 24 1.727 12.192 -10.623 1.00 2.11 C ATOM 353 OH TYR A 24 2.083 12.461 -11.925 1.00 22.04 O ATOM 0 H TYR A 24 1.797 13.223 -5.443 1.00 50.42 H new ATOM 0 HA TYR A 24 -0.810 12.962 -6.591 1.00 42.53 H new ATOM 0 HB2 TYR A 24 1.511 11.117 -5.990 1.00 22.04 H new ATOM 0 HB3 TYR A 24 -0.019 10.466 -6.543 1.00 22.04 H new ATOM 0 HD1 TYR A 24 2.293 13.282 -7.493 1.00 21.55 H new ATOM 0 HD2 TYR A 24 -0.189 10.088 -8.832 1.00 72.12 H new ATOM 0 HE1 TYR A 24 2.930 13.763 -9.815 1.00 34.53 H new ATOM 0 HE2 TYR A 24 0.449 10.565 -11.155 1.00 71.22 H new ATOM 0 HH TYR A 24 2.989 12.834 -11.946 1.00 22.04 H new ATOM 363 N GLY A 25 -0.293 11.891 -3.538 1.00 64.23 N ATOM 364 CA GLY A 25 -0.969 11.401 -2.351 1.00 4.50 C ATOM 365 C GLY A 25 0.001 10.955 -1.275 1.00 33.44 C ATOM 366 O GLY A 25 1.127 10.544 -1.555 1.00 71.22 O ATOM 0 H GLY A 25 0.683 12.152 -3.398 1.00 64.23 H new ATOM 0 HA2 GLY A 25 -1.613 12.185 -1.953 1.00 4.50 H new ATOM 0 HA3 GLY A 25 -1.615 10.566 -2.623 1.00 4.50 H new ATOM 370 N PRO A 26 -0.437 11.034 -0.009 1.00 45.01 N ATOM 371 CA PRO A 26 0.386 10.640 1.139 1.00 73.13 C ATOM 372 C PRO A 26 0.604 9.132 1.205 1.00 14.12 C ATOM 373 O PRO A 26 -0.353 8.357 1.235 1.00 72.15 O ATOM 374 CB PRO A 26 -0.433 11.115 2.342 1.00 40.45 C ATOM 375 CG PRO A 26 -1.841 11.144 1.854 1.00 25.23 C ATOM 376 CD PRO A 26 -1.767 11.514 0.399 1.00 55.32 C ATOM 0 HA PRO A 26 1.386 11.070 1.090 1.00 73.13 H new ATOM 0 HB2 PRO A 26 -0.321 10.438 3.189 1.00 40.45 H new ATOM 0 HB3 PRO A 26 -0.110 12.101 2.677 1.00 40.45 H new ATOM 0 HG2 PRO A 26 -2.320 10.174 1.986 1.00 25.23 H new ATOM 0 HG3 PRO A 26 -2.433 11.870 2.412 1.00 25.23 H new ATOM 0 HD2 PRO A 26 -2.560 11.038 -0.177 1.00 55.32 H new ATOM 0 HD3 PRO A 26 -1.868 12.589 0.252 1.00 55.32 H new ATOM 384 N LEU A 27 1.867 8.722 1.229 1.00 10.21 N ATOM 385 CA LEU A 27 2.211 7.306 1.293 1.00 73.12 C ATOM 386 C LEU A 27 2.283 6.828 2.739 1.00 23.35 C ATOM 387 O LEU A 27 2.014 7.588 3.669 1.00 11.43 O ATOM 388 CB LEU A 27 3.547 7.053 0.593 1.00 40.24 C ATOM 389 CG LEU A 27 4.670 8.040 0.913 1.00 11.40 C ATOM 390 CD1 LEU A 27 4.553 9.282 0.043 1.00 2.31 C ATOM 391 CD2 LEU A 27 4.646 8.416 2.388 1.00 74.44 C ATOM 0 H LEU A 27 2.670 9.350 1.205 1.00 10.21 H new ATOM 0 HA LEU A 27 1.429 6.744 0.783 1.00 73.12 H new ATOM 0 HB2 LEU A 27 3.887 6.050 0.853 1.00 40.24 H new ATOM 0 HB3 LEU A 27 3.378 7.063 -0.484 1.00 40.24 H new ATOM 0 HG LEU A 27 5.623 7.558 0.697 1.00 11.40 H new ATOM 0 HD11 LEU A 27 5.361 9.973 0.285 1.00 2.31 H new ATOM 0 HD12 LEU A 27 4.621 8.998 -1.007 1.00 2.31 H new ATOM 0 HD13 LEU A 27 3.594 9.766 0.227 1.00 2.31 H new ATOM 0 HD21 LEU A 27 5.452 9.119 2.597 1.00 74.44 H new ATOM 0 HD22 LEU A 27 3.689 8.879 2.630 1.00 74.44 H new ATOM 0 HD23 LEU A 27 4.779 7.520 2.994 1.00 74.44 H new ATOM 403 N ARG A 28 2.651 5.564 2.922 1.00 73.43 N ATOM 404 CA ARG A 28 2.760 4.984 4.255 1.00 11.31 C ATOM 405 C ARG A 28 4.039 5.448 4.946 1.00 14.34 C ATOM 406 O ARG A 28 4.001 5.972 6.060 1.00 12.33 O ATOM 407 CB ARG A 28 2.737 3.457 4.174 1.00 34.13 C ATOM 408 CG ARG A 28 2.061 2.794 5.364 1.00 42.22 C ATOM 409 CD ARG A 28 3.008 1.850 6.087 1.00 5.15 C ATOM 410 NE ARG A 28 2.637 1.669 7.488 1.00 11.43 N ATOM 411 CZ ARG A 28 3.393 1.027 8.372 1.00 15.10 C ATOM 412 NH1 ARG A 28 4.555 0.507 8.002 1.00 12.40 N ATOM 413 NH2 ARG A 28 2.986 0.904 9.629 1.00 20.01 N ATOM 0 H ARG A 28 2.879 4.922 2.163 1.00 73.43 H new ATOM 0 HA ARG A 28 1.906 5.322 4.842 1.00 11.31 H new ATOM 0 HB2 ARG A 28 2.222 3.158 3.261 1.00 34.13 H new ATOM 0 HB3 ARG A 28 3.761 3.090 4.097 1.00 34.13 H new ATOM 0 HG2 ARG A 28 1.709 3.559 6.056 1.00 42.22 H new ATOM 0 HG3 ARG A 28 1.184 2.242 5.025 1.00 42.22 H new ATOM 0 HD2 ARG A 28 3.009 0.883 5.585 1.00 5.15 H new ATOM 0 HD3 ARG A 28 4.024 2.241 6.029 1.00 5.15 H new ATOM 0 HE ARG A 28 1.749 2.057 7.805 1.00 11.43 H new ATOM 0 HH11 ARG A 28 4.871 0.599 7.036 1.00 12.40 H new ATOM 0 HH12 ARG A 28 5.133 0.015 8.683 1.00 12.40 H new ATOM 0 HH21 ARG A 28 2.092 1.302 9.917 1.00 20.01 H new ATOM 0 HH22 ARG A 28 3.567 0.411 10.307 1.00 20.01 H new ATOM 427 N THR A 29 5.171 5.252 4.278 1.00 22.15 N ATOM 428 CA THR A 29 6.461 5.648 4.828 1.00 4.04 C ATOM 429 C THR A 29 7.519 5.746 3.735 1.00 72.44 C ATOM 430 O THR A 29 7.552 4.928 2.815 1.00 63.11 O ATOM 431 CB THR A 29 6.942 4.656 5.904 1.00 21.03 C ATOM 432 OG1 THR A 29 6.467 3.339 5.604 1.00 40.05 O ATOM 433 CG2 THR A 29 6.454 5.074 7.283 1.00 53.21 C ATOM 0 H THR A 29 5.221 4.821 3.355 1.00 22.15 H new ATOM 0 HA THR A 29 6.322 6.628 5.284 1.00 4.04 H new ATOM 0 HB THR A 29 8.032 4.657 5.906 1.00 21.03 H new ATOM 0 HG1 THR A 29 6.779 2.714 6.292 1.00 40.05 H new ATOM 0 HG21 THR A 29 6.806 4.358 8.026 1.00 53.21 H new ATOM 0 HG22 THR A 29 6.841 6.065 7.521 1.00 53.21 H new ATOM 0 HG23 THR A 29 5.364 5.099 7.291 1.00 53.21 H new ATOM 441 N VAL A 30 8.382 6.751 3.841 1.00 62.35 N ATOM 442 CA VAL A 30 9.443 6.954 2.861 1.00 73.12 C ATOM 443 C VAL A 30 10.817 6.881 3.516 1.00 64.32 C ATOM 444 O VAL A 30 10.966 7.165 4.704 1.00 34.24 O ATOM 445 CB VAL A 30 9.297 8.312 2.149 1.00 12.24 C ATOM 446 CG1 VAL A 30 7.915 8.444 1.528 1.00 14.24 C ATOM 447 CG2 VAL A 30 9.566 9.453 3.119 1.00 33.24 C ATOM 0 H VAL A 30 8.368 7.437 4.595 1.00 62.35 H new ATOM 0 HA VAL A 30 9.352 6.155 2.125 1.00 73.12 H new ATOM 0 HB VAL A 30 10.035 8.364 1.348 1.00 12.24 H new ATOM 0 HG11 VAL A 30 7.831 9.410 1.030 1.00 14.24 H new ATOM 0 HG12 VAL A 30 7.765 7.646 0.801 1.00 14.24 H new ATOM 0 HG13 VAL A 30 7.157 8.371 2.308 1.00 14.24 H new ATOM 0 HG21 VAL A 30 9.459 10.405 2.599 1.00 33.24 H new ATOM 0 HG22 VAL A 30 8.853 9.406 3.942 1.00 33.24 H new ATOM 0 HG23 VAL A 30 10.579 9.366 3.511 1.00 33.24 H new ATOM 457 N TRP A 31 11.820 6.499 2.733 1.00 73.41 N ATOM 458 CA TRP A 31 13.184 6.388 3.237 1.00 11.41 C ATOM 459 C TRP A 31 14.193 6.447 2.095 1.00 13.14 C ATOM 460 O TRP A 31 13.945 5.924 1.009 1.00 75.14 O ATOM 461 CB TRP A 31 13.357 5.086 4.020 1.00 35.12 C ATOM 462 CG TRP A 31 14.363 5.186 5.126 1.00 45.52 C ATOM 463 CD1 TRP A 31 14.257 5.931 6.266 1.00 61.50 C ATOM 464 CD2 TRP A 31 15.630 4.522 5.195 1.00 72.05 C ATOM 465 NE1 TRP A 31 15.381 5.769 7.040 1.00 62.35 N ATOM 466 CE2 TRP A 31 16.238 4.909 6.405 1.00 70.22 C ATOM 467 CE3 TRP A 31 16.308 3.636 4.353 1.00 42.41 C ATOM 468 CZ2 TRP A 31 17.491 4.441 6.791 1.00 62.34 C ATOM 469 CZ3 TRP A 31 17.552 3.173 4.737 1.00 0.11 C ATOM 470 CH2 TRP A 31 18.133 3.575 5.947 1.00 31.13 C ATOM 0 H TRP A 31 11.714 6.261 1.747 1.00 73.41 H new ATOM 0 HA TRP A 31 13.368 7.231 3.903 1.00 11.41 H new ATOM 0 HB2 TRP A 31 12.395 4.792 4.440 1.00 35.12 H new ATOM 0 HB3 TRP A 31 13.660 4.295 3.334 1.00 35.12 H new ATOM 0 HD1 TRP A 31 13.414 6.556 6.522 1.00 61.50 H new ATOM 0 HE1 TRP A 31 15.550 6.216 7.941 1.00 62.35 H new ATOM 0 HE3 TRP A 31 15.868 3.319 3.419 1.00 42.41 H new ATOM 0 HZ2 TRP A 31 17.941 4.750 7.723 1.00 62.34 H new ATOM 0 HZ3 TRP A 31 18.086 2.489 4.093 1.00 0.11 H new ATOM 0 HH2 TRP A 31 19.106 3.194 6.219 1.00 31.13 H new ATOM 481 N ILE A 32 15.330 7.086 2.349 1.00 52.05 N ATOM 482 CA ILE A 32 16.376 7.211 1.341 1.00 31.11 C ATOM 483 C ILE A 32 17.580 6.342 1.688 1.00 1.35 C ATOM 484 O ILE A 32 17.863 6.095 2.860 1.00 12.44 O ATOM 485 CB ILE A 32 16.838 8.672 1.188 1.00 62.02 C ATOM 486 CG1 ILE A 32 15.631 9.612 1.159 1.00 31.52 C ATOM 487 CG2 ILE A 32 17.672 8.834 -0.074 1.00 62.13 C ATOM 488 CD1 ILE A 32 14.682 9.342 0.012 1.00 23.43 C ATOM 0 H ILE A 32 15.550 7.525 3.243 1.00 52.05 H new ATOM 0 HA ILE A 32 15.947 6.873 0.397 1.00 31.11 H new ATOM 0 HB ILE A 32 17.457 8.933 2.046 1.00 62.02 H new ATOM 0 HG12 ILE A 32 15.087 9.521 2.099 1.00 31.52 H new ATOM 0 HG13 ILE A 32 15.984 10.641 1.093 1.00 31.52 H new ATOM 0 HG21 ILE A 32 17.991 9.872 -0.168 1.00 62.13 H new ATOM 0 HG22 ILE A 32 18.548 8.189 -0.016 1.00 62.13 H new ATOM 0 HG23 ILE A 32 17.075 8.558 -0.943 1.00 62.13 H new ATOM 0 HD11 ILE A 32 13.851 10.046 0.054 1.00 23.43 H new ATOM 0 HD12 ILE A 32 15.211 9.462 -0.934 1.00 23.43 H new ATOM 0 HD13 ILE A 32 14.300 8.324 0.088 1.00 23.43 H new ATOM 500 N ALA A 33 18.287 5.883 0.661 1.00 22.33 N ATOM 501 CA ALA A 33 19.464 5.045 0.858 1.00 73.13 C ATOM 502 C ALA A 33 20.744 5.819 0.564 1.00 42.00 C ATOM 503 O ALA A 33 21.077 6.069 -0.594 1.00 45.44 O ATOM 504 CB ALA A 33 19.381 3.805 -0.020 1.00 61.03 C ATOM 0 H ALA A 33 18.066 6.077 -0.316 1.00 22.33 H new ATOM 0 HA ALA A 33 19.489 4.736 1.903 1.00 73.13 H new ATOM 0 HB1 ALA A 33 20.266 3.188 0.137 1.00 61.03 H new ATOM 0 HB2 ALA A 33 18.490 3.234 0.240 1.00 61.03 H new ATOM 0 HB3 ALA A 33 19.328 4.103 -1.067 1.00 61.03 H new ATOM 510 N ARG A 34 21.458 6.196 1.620 1.00 73.00 N ATOM 511 CA ARG A 34 22.701 6.944 1.475 1.00 72.43 C ATOM 512 C ARG A 34 23.827 6.036 0.989 1.00 4.21 C ATOM 513 O ARG A 34 24.782 6.496 0.364 1.00 21.12 O ATOM 514 CB ARG A 34 23.090 7.590 2.805 1.00 2.52 C ATOM 515 CG ARG A 34 23.326 6.589 3.924 1.00 75.43 C ATOM 516 CD ARG A 34 23.377 7.271 5.281 1.00 2.45 C ATOM 517 NE ARG A 34 23.984 6.419 6.300 1.00 4.01 N ATOM 518 CZ ARG A 34 24.170 6.798 7.560 1.00 64.43 C ATOM 519 NH1 ARG A 34 23.798 8.007 7.954 1.00 53.53 N ATOM 520 NH2 ARG A 34 24.730 5.965 8.428 1.00 32.13 N ATOM 0 H ARG A 34 21.197 5.996 2.585 1.00 73.00 H new ATOM 0 HA ARG A 34 22.542 7.726 0.733 1.00 72.43 H new ATOM 0 HB2 ARG A 34 23.995 8.181 2.661 1.00 2.52 H new ATOM 0 HB3 ARG A 34 22.303 8.281 3.107 1.00 2.52 H new ATOM 0 HG2 ARG A 34 22.531 5.844 3.920 1.00 75.43 H new ATOM 0 HG3 ARG A 34 24.261 6.058 3.747 1.00 75.43 H new ATOM 0 HD2 ARG A 34 23.944 8.198 5.199 1.00 2.45 H new ATOM 0 HD3 ARG A 34 22.367 7.541 5.589 1.00 2.45 H new ATOM 0 HE ARG A 34 24.282 5.482 6.030 1.00 4.01 H new ATOM 0 HH11 ARG A 34 23.367 8.650 7.289 1.00 53.53 H new ATOM 0 HH12 ARG A 34 23.942 8.295 8.922 1.00 53.53 H new ATOM 0 HH21 ARG A 34 25.018 5.034 8.128 1.00 32.13 H new ATOM 0 HH22 ARG A 34 24.873 6.256 9.395 1.00 32.13 H new ATOM 534 N ASN A 35 23.708 4.745 1.282 1.00 43.21 N ATOM 535 CA ASN A 35 24.717 3.773 0.876 1.00 1.31 C ATOM 536 C ASN A 35 25.053 3.924 -0.605 1.00 33.54 C ATOM 537 O ASN A 35 26.190 4.204 -0.984 1.00 0.25 O ATOM 538 CB ASN A 35 24.228 2.351 1.158 1.00 54.32 C ATOM 539 CG ASN A 35 24.891 1.743 2.378 1.00 33.24 C ATOM 540 OD1 ASN A 35 26.117 1.683 2.467 1.00 21.51 O ATOM 541 ND2 ASN A 35 24.080 1.288 3.327 1.00 61.33 N ATOM 0 H ASN A 35 22.923 4.348 1.799 1.00 43.21 H new ATOM 0 HA ASN A 35 25.621 3.960 1.456 1.00 1.31 H new ATOM 0 HB2 ASN A 35 23.148 2.363 1.303 1.00 54.32 H new ATOM 0 HB3 ASN A 35 24.426 1.723 0.289 1.00 54.32 H new ATOM 0 HD21 ASN A 35 24.468 0.868 4.172 1.00 61.33 H new ATOM 0 HD22 ASN A 35 23.069 1.358 3.211 1.00 61.33 H new ATOM 548 N PRO A 36 24.040 3.733 -1.463 1.00 51.22 N ATOM 549 CA PRO A 36 24.202 3.844 -2.916 1.00 22.41 C ATOM 550 C PRO A 36 24.442 5.281 -3.365 1.00 30.01 C ATOM 551 O PRO A 36 24.292 6.230 -2.595 1.00 52.35 O ATOM 552 CB PRO A 36 22.868 3.328 -3.462 1.00 3.20 C ATOM 553 CG PRO A 36 21.891 3.569 -2.364 1.00 20.44 C ATOM 554 CD PRO A 36 22.658 3.396 -1.082 1.00 1.22 C ATOM 0 HA PRO A 36 25.068 3.287 -3.273 1.00 22.41 H new ATOM 0 HB2 PRO A 36 22.581 3.857 -4.371 1.00 3.20 H new ATOM 0 HB3 PRO A 36 22.927 2.269 -3.715 1.00 3.20 H new ATOM 0 HG2 PRO A 36 21.466 4.570 -2.432 1.00 20.44 H new ATOM 0 HG3 PRO A 36 21.060 2.866 -2.420 1.00 20.44 H new ATOM 0 HD2 PRO A 36 22.285 4.056 -0.298 1.00 1.22 H new ATOM 0 HD3 PRO A 36 22.583 2.377 -0.703 1.00 1.22 H new ATOM 562 N PRO A 37 24.823 5.448 -4.640 1.00 23.31 N ATOM 563 CA PRO A 37 25.091 6.767 -5.220 1.00 51.01 C ATOM 564 C PRO A 37 23.821 7.594 -5.389 1.00 41.30 C ATOM 565 O PRO A 37 23.874 8.821 -5.472 1.00 30.35 O ATOM 566 CB PRO A 37 25.700 6.437 -6.585 1.00 51.32 C ATOM 567 CG PRO A 37 25.166 5.088 -6.922 1.00 62.11 C ATOM 568 CD PRO A 37 25.022 4.361 -5.614 1.00 2.04 C ATOM 0 HA PRO A 37 25.739 7.369 -4.583 1.00 51.01 H new ATOM 0 HB2 PRO A 37 25.414 7.175 -7.335 1.00 51.32 H new ATOM 0 HB3 PRO A 37 26.789 6.432 -6.542 1.00 51.32 H new ATOM 0 HG2 PRO A 37 24.207 5.165 -7.433 1.00 62.11 H new ATOM 0 HG3 PRO A 37 25.842 4.557 -7.591 1.00 62.11 H new ATOM 0 HD2 PRO A 37 24.176 3.673 -5.627 1.00 2.04 H new ATOM 0 HD3 PRO A 37 25.909 3.771 -5.382 1.00 2.04 H new ATOM 576 N GLY A 38 22.679 6.915 -5.439 1.00 64.44 N ATOM 577 CA GLY A 38 21.412 7.604 -5.598 1.00 22.31 C ATOM 578 C GLY A 38 20.240 6.647 -5.695 1.00 2.23 C ATOM 579 O GLY A 38 19.676 6.453 -6.771 1.00 74.44 O ATOM 0 H GLY A 38 22.609 5.900 -5.372 1.00 64.44 H new ATOM 0 HA2 GLY A 38 21.259 8.276 -4.754 1.00 22.31 H new ATOM 0 HA3 GLY A 38 21.448 8.222 -6.495 1.00 22.31 H new ATOM 583 N PHE A 39 19.874 6.047 -4.567 1.00 71.32 N ATOM 584 CA PHE A 39 18.763 5.103 -4.530 1.00 20.32 C ATOM 585 C PHE A 39 17.875 5.356 -3.315 1.00 21.41 C ATOM 586 O PHE A 39 18.358 5.434 -2.186 1.00 12.53 O ATOM 587 CB PHE A 39 19.288 3.666 -4.502 1.00 32.32 C ATOM 588 CG PHE A 39 18.912 2.867 -5.717 1.00 23.41 C ATOM 589 CD1 PHE A 39 19.280 3.292 -6.983 1.00 43.01 C ATOM 590 CD2 PHE A 39 18.191 1.690 -5.593 1.00 13.32 C ATOM 591 CE1 PHE A 39 18.937 2.559 -8.103 1.00 73.23 C ATOM 592 CE2 PHE A 39 17.845 0.953 -6.709 1.00 74.23 C ATOM 593 CZ PHE A 39 18.217 1.388 -7.966 1.00 50.21 C ATOM 0 H PHE A 39 20.330 6.198 -3.667 1.00 71.32 H new ATOM 0 HA PHE A 39 18.166 5.247 -5.431 1.00 20.32 H new ATOM 0 HB2 PHE A 39 20.374 3.686 -4.412 1.00 32.32 H new ATOM 0 HB3 PHE A 39 18.904 3.164 -3.614 1.00 32.32 H new ATOM 0 HD1 PHE A 39 19.842 4.207 -7.096 1.00 43.01 H new ATOM 0 HD2 PHE A 39 17.896 1.345 -4.613 1.00 13.32 H new ATOM 0 HE1 PHE A 39 19.231 2.901 -9.084 1.00 73.23 H new ATOM 0 HE2 PHE A 39 17.284 0.037 -6.599 1.00 74.23 H new ATOM 0 HZ PHE A 39 17.946 0.814 -8.840 1.00 50.21 H new ATOM 603 N ALA A 40 16.574 5.482 -3.556 1.00 44.43 N ATOM 604 CA ALA A 40 15.618 5.725 -2.483 1.00 63.11 C ATOM 605 C ALA A 40 14.443 4.757 -2.566 1.00 54.42 C ATOM 606 O ALA A 40 14.043 4.342 -3.654 1.00 63.13 O ATOM 607 CB ALA A 40 15.125 7.163 -2.531 1.00 10.52 C ATOM 0 H ALA A 40 16.158 5.420 -4.485 1.00 44.43 H new ATOM 0 HA ALA A 40 16.125 5.559 -1.533 1.00 63.11 H new ATOM 0 HB1 ALA A 40 14.412 7.330 -1.724 1.00 10.52 H new ATOM 0 HB2 ALA A 40 15.970 7.841 -2.415 1.00 10.52 H new ATOM 0 HB3 ALA A 40 14.639 7.349 -3.489 1.00 10.52 H new ATOM 613 N PHE A 41 13.892 4.402 -1.410 1.00 63.42 N ATOM 614 CA PHE A 41 12.763 3.481 -1.352 1.00 72.04 C ATOM 615 C PHE A 41 11.572 4.125 -0.649 1.00 55.13 C ATOM 616 O PHE A 41 11.738 4.918 0.278 1.00 33.51 O ATOM 617 CB PHE A 41 13.163 2.194 -0.627 1.00 53.43 C ATOM 618 CG PHE A 41 13.565 1.084 -1.555 1.00 22.21 C ATOM 619 CD1 PHE A 41 14.868 0.987 -2.017 1.00 21.14 C ATOM 620 CD2 PHE A 41 12.641 0.136 -1.965 1.00 1.41 C ATOM 621 CE1 PHE A 41 15.241 -0.034 -2.871 1.00 13.41 C ATOM 622 CE2 PHE A 41 13.008 -0.887 -2.819 1.00 0.32 C ATOM 623 CZ PHE A 41 14.310 -0.972 -3.271 1.00 70.25 C ATOM 0 H PHE A 41 14.209 4.738 -0.501 1.00 63.42 H new ATOM 0 HA PHE A 41 12.472 3.238 -2.374 1.00 72.04 H new ATOM 0 HB2 PHE A 41 13.990 2.409 0.049 1.00 53.43 H new ATOM 0 HB3 PHE A 41 12.328 1.858 -0.012 1.00 53.43 H new ATOM 0 HD1 PHE A 41 15.600 1.717 -1.706 1.00 21.14 H new ATOM 0 HD2 PHE A 41 11.622 0.197 -1.613 1.00 1.41 H new ATOM 0 HE1 PHE A 41 16.259 -0.098 -3.225 1.00 13.41 H new ATOM 0 HE2 PHE A 41 12.278 -1.618 -3.132 1.00 0.32 H new ATOM 0 HZ PHE A 41 14.600 -1.771 -3.937 1.00 70.25 H new ATOM 633 N VAL A 42 10.369 3.779 -1.098 1.00 41.32 N ATOM 634 CA VAL A 42 9.149 4.322 -0.513 1.00 2.51 C ATOM 635 C VAL A 42 8.078 3.246 -0.378 1.00 1.13 C ATOM 636 O VAL A 42 8.051 2.285 -1.145 1.00 73.40 O ATOM 637 CB VAL A 42 8.591 5.484 -1.357 1.00 33.25 C ATOM 638 CG1 VAL A 42 7.424 6.150 -0.643 1.00 30.51 C ATOM 639 CG2 VAL A 42 9.686 6.494 -1.662 1.00 51.35 C ATOM 0 H VAL A 42 10.214 3.125 -1.865 1.00 41.32 H new ATOM 0 HA VAL A 42 9.411 4.695 0.477 1.00 2.51 H new ATOM 0 HB VAL A 42 8.226 5.082 -2.302 1.00 33.25 H new ATOM 0 HG11 VAL A 42 7.043 6.968 -1.254 1.00 30.51 H new ATOM 0 HG12 VAL A 42 6.632 5.419 -0.480 1.00 30.51 H new ATOM 0 HG13 VAL A 42 7.760 6.540 0.318 1.00 30.51 H new ATOM 0 HG21 VAL A 42 9.274 7.308 -2.259 1.00 51.35 H new ATOM 0 HG22 VAL A 42 10.083 6.893 -0.729 1.00 51.35 H new ATOM 0 HG23 VAL A 42 10.487 6.006 -2.217 1.00 51.35 H new ATOM 649 N GLU A 43 7.197 3.416 0.603 1.00 21.44 N ATOM 650 CA GLU A 43 6.123 2.457 0.839 1.00 44.40 C ATOM 651 C GLU A 43 4.761 3.142 0.782 1.00 51.02 C ATOM 652 O GLU A 43 4.450 4.000 1.608 1.00 34.02 O ATOM 653 CB GLU A 43 6.307 1.775 2.196 1.00 2.43 C ATOM 654 CG GLU A 43 5.474 0.516 2.362 1.00 22.52 C ATOM 655 CD GLU A 43 5.821 -0.251 3.624 1.00 62.45 C ATOM 656 OE1 GLU A 43 5.462 0.222 4.722 1.00 21.43 O ATOM 657 OE2 GLU A 43 6.451 -1.323 3.512 1.00 25.53 O ATOM 0 H GLU A 43 7.205 4.207 1.246 1.00 21.44 H new ATOM 0 HA GLU A 43 6.165 1.703 0.053 1.00 44.40 H new ATOM 0 HB2 GLU A 43 7.360 1.524 2.327 1.00 2.43 H new ATOM 0 HB3 GLU A 43 6.046 2.480 2.986 1.00 2.43 H new ATOM 0 HG2 GLU A 43 4.418 0.784 2.383 1.00 22.52 H new ATOM 0 HG3 GLU A 43 5.622 -0.130 1.496 1.00 22.52 H new ATOM 664 N PHE A 44 3.952 2.757 -0.200 1.00 65.11 N ATOM 665 CA PHE A 44 2.624 3.334 -0.367 1.00 73.12 C ATOM 666 C PHE A 44 1.561 2.449 0.278 1.00 24.12 C ATOM 667 O PHE A 44 1.408 1.283 -0.083 1.00 23.54 O ATOM 668 CB PHE A 44 2.311 3.525 -1.853 1.00 13.13 C ATOM 669 CG PHE A 44 2.215 4.966 -2.264 1.00 42.45 C ATOM 670 CD1 PHE A 44 1.372 5.838 -1.594 1.00 70.22 C ATOM 671 CD2 PHE A 44 2.968 5.450 -3.322 1.00 64.43 C ATOM 672 CE1 PHE A 44 1.282 7.165 -1.970 1.00 60.24 C ATOM 673 CE2 PHE A 44 2.883 6.776 -3.703 1.00 20.43 C ATOM 674 CZ PHE A 44 2.038 7.634 -3.027 1.00 31.13 C ATOM 0 H PHE A 44 4.194 2.048 -0.892 1.00 65.11 H new ATOM 0 HA PHE A 44 2.612 4.305 0.128 1.00 73.12 H new ATOM 0 HB2 PHE A 44 3.085 3.037 -2.445 1.00 13.13 H new ATOM 0 HB3 PHE A 44 1.370 3.026 -2.085 1.00 13.13 H new ATOM 0 HD1 PHE A 44 0.778 5.476 -0.768 1.00 70.22 H new ATOM 0 HD2 PHE A 44 3.629 4.783 -3.855 1.00 64.43 H new ATOM 0 HE1 PHE A 44 0.622 7.834 -1.438 1.00 60.24 H new ATOM 0 HE2 PHE A 44 3.477 7.141 -4.528 1.00 20.43 H new ATOM 0 HZ PHE A 44 1.968 8.670 -3.324 1.00 31.13 H new ATOM 684 N GLU A 45 0.831 3.013 1.235 1.00 1.21 N ATOM 685 CA GLU A 45 -0.216 2.275 1.932 1.00 63.12 C ATOM 686 C GLU A 45 -1.360 1.929 0.984 1.00 74.21 C ATOM 687 O GLU A 45 -2.140 1.013 1.244 1.00 74.50 O ATOM 688 CB GLU A 45 -0.746 3.090 3.113 1.00 40.51 C ATOM 689 CG GLU A 45 -1.523 2.264 4.124 1.00 61.45 C ATOM 690 CD GLU A 45 -1.733 2.993 5.436 1.00 2.22 C ATOM 691 OE1 GLU A 45 -1.370 4.185 5.518 1.00 43.01 O ATOM 692 OE2 GLU A 45 -2.261 2.371 6.382 1.00 41.41 O ATOM 0 H GLU A 45 0.945 3.978 1.545 1.00 1.21 H new ATOM 0 HA GLU A 45 0.216 1.347 2.306 1.00 63.12 H new ATOM 0 HB2 GLU A 45 0.092 3.571 3.617 1.00 40.51 H new ATOM 0 HB3 GLU A 45 -1.389 3.885 2.735 1.00 40.51 H new ATOM 0 HG2 GLU A 45 -2.492 1.998 3.702 1.00 61.45 H new ATOM 0 HG3 GLU A 45 -0.990 1.332 4.312 1.00 61.45 H new ATOM 699 N ASP A 46 -1.454 2.669 -0.116 1.00 33.55 N ATOM 700 CA ASP A 46 -2.503 2.441 -1.103 1.00 63.42 C ATOM 701 C ASP A 46 -1.913 1.926 -2.413 1.00 0.32 C ATOM 702 O ASP A 46 -0.859 2.374 -2.866 1.00 33.13 O ATOM 703 CB ASP A 46 -3.286 3.730 -1.354 1.00 1.21 C ATOM 704 CG ASP A 46 -4.661 3.705 -0.717 1.00 13.42 C ATOM 705 OD1 ASP A 46 -5.279 2.621 -0.683 1.00 33.03 O ATOM 706 OD2 ASP A 46 -5.120 4.771 -0.253 1.00 72.52 O ATOM 0 H ASP A 46 -0.817 3.431 -0.346 1.00 33.55 H new ATOM 0 HA ASP A 46 -3.181 1.685 -0.708 1.00 63.42 H new ATOM 0 HB2 ASP A 46 -2.722 4.576 -0.962 1.00 1.21 H new ATOM 0 HB3 ASP A 46 -3.389 3.886 -2.428 1.00 1.21 H new ATOM 711 N PRO A 47 -2.607 0.962 -3.036 1.00 43.43 N ATOM 712 CA PRO A 47 -2.170 0.366 -4.302 1.00 74.32 C ATOM 713 C PRO A 47 -2.283 1.339 -5.471 1.00 31.41 C ATOM 714 O PRO A 47 -1.334 1.519 -6.234 1.00 51.21 O ATOM 715 CB PRO A 47 -3.132 -0.810 -4.490 1.00 55.14 C ATOM 716 CG PRO A 47 -4.353 -0.427 -3.727 1.00 1.42 C ATOM 717 CD PRO A 47 -3.871 0.381 -2.554 1.00 3.23 C ATOM 0 HA PRO A 47 -1.120 0.076 -4.275 1.00 74.32 H new ATOM 0 HB2 PRO A 47 -3.358 -0.972 -5.544 1.00 55.14 H new ATOM 0 HB3 PRO A 47 -2.703 -1.737 -4.110 1.00 55.14 H new ATOM 0 HG2 PRO A 47 -5.035 0.154 -4.348 1.00 1.42 H new ATOM 0 HG3 PRO A 47 -4.899 -1.310 -3.395 1.00 1.42 H new ATOM 0 HD2 PRO A 47 -4.588 1.153 -2.276 1.00 3.23 H new ATOM 0 HD3 PRO A 47 -3.717 -0.242 -1.673 1.00 3.23 H new ATOM 725 N ARG A 48 -3.449 1.963 -5.605 1.00 5.13 N ATOM 726 CA ARG A 48 -3.685 2.917 -6.681 1.00 42.33 C ATOM 727 C ARG A 48 -2.739 4.109 -6.569 1.00 0.44 C ATOM 728 O ARG A 48 -2.356 4.708 -7.574 1.00 13.21 O ATOM 729 CB ARG A 48 -5.136 3.400 -6.654 1.00 72.04 C ATOM 730 CG ARG A 48 -6.148 2.279 -6.477 1.00 45.21 C ATOM 731 CD ARG A 48 -7.570 2.774 -6.686 1.00 51.30 C ATOM 732 NE ARG A 48 -8.183 3.221 -5.438 1.00 41.40 N ATOM 733 CZ ARG A 48 -9.231 4.036 -5.384 1.00 71.43 C ATOM 734 NH1 ARG A 48 -9.780 4.489 -6.503 1.00 35.04 N ATOM 735 NH2 ARG A 48 -9.732 4.397 -4.210 1.00 53.42 N ATOM 0 H ARG A 48 -4.244 1.825 -4.982 1.00 5.13 H new ATOM 0 HA ARG A 48 -3.495 2.412 -7.628 1.00 42.33 H new ATOM 0 HB2 ARG A 48 -5.256 4.118 -5.843 1.00 72.04 H new ATOM 0 HB3 ARG A 48 -5.351 3.929 -7.582 1.00 72.04 H new ATOM 0 HG2 ARG A 48 -5.933 1.478 -7.184 1.00 45.21 H new ATOM 0 HG3 ARG A 48 -6.052 1.856 -5.477 1.00 45.21 H new ATOM 0 HD2 ARG A 48 -7.566 3.595 -7.403 1.00 51.30 H new ATOM 0 HD3 ARG A 48 -8.172 1.975 -7.120 1.00 51.30 H new ATOM 0 HE ARG A 48 -7.785 2.889 -4.560 1.00 41.40 H new ATOM 0 HH11 ARG A 48 -9.398 4.212 -7.407 1.00 35.04 H new ATOM 0 HH12 ARG A 48 -10.584 5.115 -6.459 1.00 35.04 H new ATOM 0 HH21 ARG A 48 -9.313 4.049 -3.348 1.00 53.42 H new ATOM 0 HH22 ARG A 48 -10.537 5.023 -4.169 1.00 53.42 H new ATOM 749 N ASP A 49 -2.367 4.448 -5.339 1.00 43.22 N ATOM 750 CA ASP A 49 -1.465 5.568 -5.095 1.00 13.23 C ATOM 751 C ASP A 49 -0.056 5.249 -5.584 1.00 32.42 C ATOM 752 O ASP A 49 0.657 6.126 -6.069 1.00 0.21 O ATOM 753 CB ASP A 49 -1.436 5.911 -3.604 1.00 62.23 C ATOM 754 CG ASP A 49 -2.801 6.302 -3.073 1.00 22.40 C ATOM 755 OD1 ASP A 49 -3.776 6.257 -3.852 1.00 33.21 O ATOM 756 OD2 ASP A 49 -2.894 6.651 -1.878 1.00 41.50 O ATOM 0 H ASP A 49 -2.676 3.964 -4.496 1.00 43.22 H new ATOM 0 HA ASP A 49 -1.836 6.429 -5.651 1.00 13.23 H new ATOM 0 HB2 ASP A 49 -1.064 5.053 -3.044 1.00 62.23 H new ATOM 0 HB3 ASP A 49 -0.736 6.729 -3.436 1.00 62.23 H new ATOM 761 N ALA A 50 0.338 3.986 -5.452 1.00 5.44 N ATOM 762 CA ALA A 50 1.662 3.551 -5.881 1.00 34.22 C ATOM 763 C ALA A 50 1.741 3.452 -7.400 1.00 51.25 C ATOM 764 O ALA A 50 2.708 3.907 -8.011 1.00 14.21 O ATOM 765 CB ALA A 50 2.009 2.213 -5.244 1.00 41.23 C ATOM 0 H ALA A 50 -0.240 3.247 -5.052 1.00 5.44 H new ATOM 0 HA ALA A 50 2.387 4.296 -5.553 1.00 34.22 H new ATOM 0 HB1 ALA A 50 3.000 1.900 -5.573 1.00 41.23 H new ATOM 0 HB2 ALA A 50 2.002 2.314 -4.159 1.00 41.23 H new ATOM 0 HB3 ALA A 50 1.274 1.466 -5.544 1.00 41.23 H new ATOM 771 N GLU A 51 0.718 2.855 -8.004 1.00 65.34 N ATOM 772 CA GLU A 51 0.675 2.696 -9.453 1.00 72.32 C ATOM 773 C GLU A 51 0.569 4.051 -10.146 1.00 44.14 C ATOM 774 O GLU A 51 1.198 4.283 -11.179 1.00 63.31 O ATOM 775 CB GLU A 51 -0.507 1.811 -9.856 1.00 41.21 C ATOM 776 CG GLU A 51 -0.481 1.388 -11.315 1.00 62.02 C ATOM 777 CD GLU A 51 -1.006 -0.019 -11.524 1.00 63.21 C ATOM 778 OE1 GLU A 51 -2.039 -0.364 -10.914 1.00 74.14 O ATOM 779 OE2 GLU A 51 -0.382 -0.776 -12.298 1.00 10.41 O ATOM 0 H GLU A 51 -0.091 2.474 -7.513 1.00 65.34 H new ATOM 0 HA GLU A 51 1.602 2.218 -9.768 1.00 72.32 H new ATOM 0 HB2 GLU A 51 -0.513 0.920 -9.228 1.00 41.21 H new ATOM 0 HB3 GLU A 51 -1.435 2.347 -9.658 1.00 41.21 H new ATOM 0 HG2 GLU A 51 -1.078 2.086 -11.902 1.00 62.02 H new ATOM 0 HG3 GLU A 51 0.541 1.450 -11.689 1.00 62.02 H new ATOM 786 N ASP A 52 -0.230 4.942 -9.571 1.00 54.22 N ATOM 787 CA ASP A 52 -0.419 6.275 -10.132 1.00 42.03 C ATOM 788 C ASP A 52 0.838 7.122 -9.955 1.00 74.21 C ATOM 789 O ASP A 52 1.343 7.708 -10.912 1.00 11.12 O ATOM 790 CB ASP A 52 -1.612 6.966 -9.471 1.00 11.13 C ATOM 791 CG ASP A 52 -2.940 6.427 -9.965 1.00 32.25 C ATOM 792 OD1 ASP A 52 -2.944 5.698 -10.978 1.00 51.24 O ATOM 793 OD2 ASP A 52 -3.976 6.734 -9.337 1.00 42.15 O ATOM 0 H ASP A 52 -0.758 4.766 -8.716 1.00 54.22 H new ATOM 0 HA ASP A 52 -0.617 6.169 -11.199 1.00 42.03 H new ATOM 0 HB2 ASP A 52 -1.550 6.837 -8.390 1.00 11.13 H new ATOM 0 HB3 ASP A 52 -1.562 8.037 -9.667 1.00 11.13 H new ATOM 798 N ALA A 53 1.336 7.182 -8.724 1.00 70.25 N ATOM 799 CA ALA A 53 2.533 7.956 -8.422 1.00 64.11 C ATOM 800 C ALA A 53 3.694 7.546 -9.323 1.00 11.43 C ATOM 801 O ALA A 53 4.363 8.394 -9.914 1.00 23.23 O ATOM 802 CB ALA A 53 2.914 7.789 -6.959 1.00 22.15 C ATOM 0 H ALA A 53 0.929 6.704 -7.920 1.00 70.25 H new ATOM 0 HA ALA A 53 2.314 9.007 -8.612 1.00 64.11 H new ATOM 0 HB1 ALA A 53 3.810 8.373 -6.747 1.00 22.15 H new ATOM 0 HB2 ALA A 53 2.096 8.138 -6.328 1.00 22.15 H new ATOM 0 HB3 ALA A 53 3.109 6.737 -6.752 1.00 22.15 H new ATOM 808 N VAL A 54 3.928 6.242 -9.422 1.00 74.45 N ATOM 809 CA VAL A 54 5.007 5.720 -10.252 1.00 24.44 C ATOM 810 C VAL A 54 4.762 6.020 -11.726 1.00 65.10 C ATOM 811 O VAL A 54 5.622 6.579 -12.407 1.00 41.12 O ATOM 812 CB VAL A 54 5.170 4.199 -10.069 1.00 24.11 C ATOM 813 CG1 VAL A 54 6.215 3.654 -11.031 1.00 4.43 C ATOM 814 CG2 VAL A 54 5.537 3.872 -8.629 1.00 41.02 C ATOM 0 H VAL A 54 3.385 5.527 -8.938 1.00 74.45 H new ATOM 0 HA VAL A 54 5.922 6.218 -9.931 1.00 24.44 H new ATOM 0 HB VAL A 54 4.218 3.719 -10.295 1.00 24.11 H new ATOM 0 HG11 VAL A 54 6.316 2.578 -10.887 1.00 4.43 H new ATOM 0 HG12 VAL A 54 5.906 3.855 -12.057 1.00 4.43 H new ATOM 0 HG13 VAL A 54 7.173 4.137 -10.840 1.00 4.43 H new ATOM 0 HG21 VAL A 54 5.648 2.793 -8.518 1.00 41.02 H new ATOM 0 HG22 VAL A 54 6.476 4.362 -8.373 1.00 41.02 H new ATOM 0 HG23 VAL A 54 4.750 4.226 -7.963 1.00 41.02 H new ATOM 824 N ARG A 55 3.584 5.645 -12.213 1.00 10.12 N ATOM 825 CA ARG A 55 3.226 5.874 -13.607 1.00 73.33 C ATOM 826 C ARG A 55 3.455 7.331 -13.996 1.00 12.43 C ATOM 827 O ARG A 55 3.942 7.625 -15.087 1.00 20.34 O ATOM 828 CB ARG A 55 1.764 5.494 -13.849 1.00 54.13 C ATOM 829 CG ARG A 55 1.556 4.013 -14.120 1.00 53.04 C ATOM 830 CD ARG A 55 0.095 3.698 -14.400 1.00 34.42 C ATOM 831 NE ARG A 55 -0.072 2.393 -15.034 1.00 70.23 N ATOM 832 CZ ARG A 55 -1.252 1.815 -15.228 1.00 55.34 C ATOM 833 NH1 ARG A 55 -2.364 2.424 -14.840 1.00 11.54 N ATOM 834 NH2 ARG A 55 -1.323 0.626 -15.813 1.00 44.20 N ATOM 0 H ARG A 55 2.861 5.181 -11.663 1.00 10.12 H new ATOM 0 HA ARG A 55 3.865 5.246 -14.228 1.00 73.33 H new ATOM 0 HB2 ARG A 55 1.174 5.782 -12.979 1.00 54.13 H new ATOM 0 HB3 ARG A 55 1.384 6.066 -14.695 1.00 54.13 H new ATOM 0 HG2 ARG A 55 2.165 3.709 -14.972 1.00 53.04 H new ATOM 0 HG3 ARG A 55 1.896 3.434 -13.262 1.00 53.04 H new ATOM 0 HD2 ARG A 55 -0.466 3.722 -13.466 1.00 34.42 H new ATOM 0 HD3 ARG A 55 -0.325 4.470 -15.044 1.00 34.42 H new ATOM 0 HE ARG A 55 0.764 1.898 -15.345 1.00 70.23 H new ATOM 0 HH11 ARG A 55 -2.315 3.339 -14.391 1.00 11.54 H new ATOM 0 HH12 ARG A 55 -3.269 1.978 -14.990 1.00 11.54 H new ATOM 0 HH21 ARG A 55 -0.470 0.154 -16.115 1.00 44.20 H new ATOM 0 HH22 ARG A 55 -2.230 0.184 -15.961 1.00 44.20 H new ATOM 848 N GLY A 56 3.099 8.242 -13.094 1.00 61.21 N ATOM 849 CA GLY A 56 3.273 9.658 -13.361 1.00 71.42 C ATOM 850 C GLY A 56 4.728 10.080 -13.325 1.00 1.25 C ATOM 851 O GLY A 56 5.274 10.543 -14.327 1.00 55.13 O ATOM 0 H GLY A 56 2.693 8.024 -12.184 1.00 61.21 H new ATOM 0 HA2 GLY A 56 2.853 9.894 -14.339 1.00 71.42 H new ATOM 0 HA3 GLY A 56 2.712 10.235 -12.626 1.00 71.42 H new ATOM 855 N LEU A 57 5.359 9.923 -12.166 1.00 61.12 N ATOM 856 CA LEU A 57 6.761 10.293 -12.002 1.00 15.22 C ATOM 857 C LEU A 57 7.618 9.685 -13.107 1.00 73.31 C ATOM 858 O LEU A 57 8.339 10.394 -13.809 1.00 0.13 O ATOM 859 CB LEU A 57 7.272 9.837 -10.634 1.00 61.23 C ATOM 860 CG LEU A 57 7.126 10.844 -9.493 1.00 24.10 C ATOM 861 CD1 LEU A 57 5.697 11.356 -9.412 1.00 34.30 C ATOM 862 CD2 LEU A 57 7.546 10.217 -8.172 1.00 30.35 C ATOM 0 H LEU A 57 4.922 9.542 -11.326 1.00 61.12 H new ATOM 0 HA LEU A 57 6.835 11.379 -12.067 1.00 15.22 H new ATOM 0 HB2 LEU A 57 6.743 8.925 -10.357 1.00 61.23 H new ATOM 0 HB3 LEU A 57 8.326 9.578 -10.730 1.00 61.23 H new ATOM 0 HG LEU A 57 7.782 11.691 -9.695 1.00 24.10 H new ATOM 0 HD11 LEU A 57 5.613 12.072 -8.594 1.00 34.30 H new ATOM 0 HD12 LEU A 57 5.432 11.844 -10.350 1.00 34.30 H new ATOM 0 HD13 LEU A 57 5.021 10.520 -9.234 1.00 34.30 H new ATOM 0 HD21 LEU A 57 7.436 10.948 -7.371 1.00 30.35 H new ATOM 0 HD22 LEU A 57 6.916 9.352 -7.963 1.00 30.35 H new ATOM 0 HD23 LEU A 57 8.587 9.901 -8.234 1.00 30.35 H new ATOM 874 N ASP A 58 7.532 8.368 -13.258 1.00 21.45 N ATOM 875 CA ASP A 58 8.297 7.663 -14.280 1.00 3.41 C ATOM 876 C ASP A 58 7.789 8.012 -15.675 1.00 45.34 C ATOM 877 O ASP A 58 8.557 8.045 -16.636 1.00 42.52 O ATOM 878 CB ASP A 58 8.217 6.152 -14.057 1.00 53.43 C ATOM 879 CG ASP A 58 8.881 5.367 -15.171 1.00 21.12 C ATOM 880 OD1 ASP A 58 10.124 5.245 -15.150 1.00 74.15 O ATOM 881 OD2 ASP A 58 8.159 4.875 -16.063 1.00 73.11 O ATOM 0 H ASP A 58 6.940 7.767 -12.685 1.00 21.45 H new ATOM 0 HA ASP A 58 9.338 7.978 -14.202 1.00 3.41 H new ATOM 0 HB2 ASP A 58 8.691 5.902 -13.108 1.00 53.43 H new ATOM 0 HB3 ASP A 58 7.171 5.854 -13.979 1.00 53.43 H new ATOM 886 N GLY A 59 6.489 8.271 -15.779 1.00 43.13 N ATOM 887 CA GLY A 59 5.901 8.613 -17.061 1.00 60.31 C ATOM 888 C GLY A 59 6.275 10.009 -17.517 1.00 12.32 C ATOM 889 O GLY A 59 6.128 10.348 -18.691 1.00 74.24 O ATOM 0 H GLY A 59 5.833 8.250 -14.998 1.00 43.13 H new ATOM 0 HA2 GLY A 59 6.225 7.891 -17.810 1.00 60.31 H new ATOM 0 HA3 GLY A 59 4.816 8.535 -16.992 1.00 60.31 H new ATOM 893 N LYS A 60 6.759 10.824 -16.586 1.00 14.15 N ATOM 894 CA LYS A 60 7.155 12.193 -16.896 1.00 75.43 C ATOM 895 C LYS A 60 8.011 12.778 -15.778 1.00 51.42 C ATOM 896 O LYS A 60 7.606 12.794 -14.616 1.00 22.44 O ATOM 897 CB LYS A 60 5.917 13.066 -17.116 1.00 62.13 C ATOM 898 CG LYS A 60 6.244 14.503 -17.485 1.00 25.44 C ATOM 899 CD LYS A 60 6.963 14.586 -18.821 1.00 32.01 C ATOM 900 CE LYS A 60 7.273 16.027 -19.198 1.00 74.53 C ATOM 901 NZ LYS A 60 8.113 16.110 -20.425 1.00 2.13 N ATOM 0 H LYS A 60 6.887 10.560 -15.609 1.00 14.15 H new ATOM 0 HA LYS A 60 7.747 12.176 -17.811 1.00 75.43 H new ATOM 0 HB2 LYS A 60 5.308 12.626 -17.906 1.00 62.13 H new ATOM 0 HB3 LYS A 60 5.313 13.061 -16.208 1.00 62.13 H new ATOM 0 HG2 LYS A 60 5.324 15.087 -17.529 1.00 25.44 H new ATOM 0 HG3 LYS A 60 6.866 14.947 -16.708 1.00 25.44 H new ATOM 0 HD2 LYS A 60 7.890 14.014 -18.773 1.00 32.01 H new ATOM 0 HD3 LYS A 60 6.347 14.130 -19.596 1.00 32.01 H new ATOM 0 HE2 LYS A 60 6.341 16.569 -19.358 1.00 74.53 H new ATOM 0 HE3 LYS A 60 7.788 16.516 -18.371 1.00 74.53 H new ATOM 0 HZ1 LYS A 60 8.302 17.108 -20.649 1.00 2.13 H new ATOM 0 HZ2 LYS A 60 9.013 15.614 -20.264 1.00 2.13 H new ATOM 0 HZ3 LYS A 60 7.611 15.666 -21.220 1.00 2.13 H new ATOM 915 N VAL A 61 9.196 13.261 -16.138 1.00 0.43 N ATOM 916 CA VAL A 61 10.108 13.851 -15.165 1.00 63.11 C ATOM 917 C VAL A 61 9.388 14.860 -14.278 1.00 24.04 C ATOM 918 O VAL A 61 8.296 15.323 -14.607 1.00 32.12 O ATOM 919 CB VAL A 61 11.294 14.548 -15.858 1.00 62.34 C ATOM 920 CG1 VAL A 61 11.948 13.614 -16.865 1.00 71.24 C ATOM 921 CG2 VAL A 61 10.837 15.834 -16.530 1.00 23.10 C ATOM 0 H VAL A 61 9.547 13.255 -17.096 1.00 0.43 H new ATOM 0 HA VAL A 61 10.485 13.034 -14.549 1.00 63.11 H new ATOM 0 HB VAL A 61 12.035 14.804 -15.101 1.00 62.34 H new ATOM 0 HG11 VAL A 61 12.784 14.124 -17.345 1.00 71.24 H new ATOM 0 HG12 VAL A 61 12.312 12.724 -16.352 1.00 71.24 H new ATOM 0 HG13 VAL A 61 11.218 13.325 -17.621 1.00 71.24 H new ATOM 0 HG21 VAL A 61 11.688 16.313 -17.015 1.00 23.10 H new ATOM 0 HG22 VAL A 61 10.076 15.604 -17.276 1.00 23.10 H new ATOM 0 HG23 VAL A 61 10.419 16.507 -15.781 1.00 23.10 H new ATOM 931 N ILE A 62 10.008 15.197 -13.151 1.00 72.05 N ATOM 932 CA ILE A 62 9.427 16.153 -12.217 1.00 74.20 C ATOM 933 C ILE A 62 10.337 17.361 -12.029 1.00 45.31 C ATOM 934 O ILE A 62 11.502 17.221 -11.653 1.00 12.33 O ATOM 935 CB ILE A 62 9.159 15.507 -10.845 1.00 4.24 C ATOM 936 CG1 ILE A 62 8.715 16.568 -9.835 1.00 70.14 C ATOM 937 CG2 ILE A 62 10.403 14.784 -10.348 1.00 55.14 C ATOM 938 CD1 ILE A 62 9.836 17.067 -8.950 1.00 74.04 C ATOM 0 H ILE A 62 10.912 14.822 -12.863 1.00 72.05 H new ATOM 0 HA ILE A 62 8.480 16.479 -12.647 1.00 74.20 H new ATOM 0 HB ILE A 62 8.357 14.777 -10.954 1.00 4.24 H new ATOM 0 HG12 ILE A 62 8.285 17.413 -10.373 1.00 70.14 H new ATOM 0 HG13 ILE A 62 7.925 16.153 -9.208 1.00 70.14 H new ATOM 0 HG21 ILE A 62 10.198 14.333 -9.377 1.00 55.14 H new ATOM 0 HG22 ILE A 62 10.680 14.006 -11.059 1.00 55.14 H new ATOM 0 HG23 ILE A 62 11.223 15.495 -10.251 1.00 55.14 H new ATOM 0 HD11 ILE A 62 9.449 17.816 -8.260 1.00 74.04 H new ATOM 0 HD12 ILE A 62 10.252 16.233 -8.385 1.00 74.04 H new ATOM 0 HD13 ILE A 62 10.616 17.512 -9.567 1.00 74.04 H new ATOM 950 N CYS A 63 9.799 18.547 -12.292 1.00 5.02 N ATOM 951 CA CYS A 63 10.564 19.781 -12.151 1.00 14.54 C ATOM 952 C CYS A 63 11.929 19.655 -12.818 1.00 40.13 C ATOM 953 O CYS A 63 12.926 20.174 -12.319 1.00 2.24 O ATOM 954 CB CYS A 63 10.736 20.133 -10.672 1.00 72.12 C ATOM 955 SG CYS A 63 11.095 21.878 -10.365 1.00 54.22 S ATOM 0 H CYS A 63 8.837 18.680 -12.604 1.00 5.02 H new ATOM 0 HA CYS A 63 10.011 20.580 -12.646 1.00 14.54 H new ATOM 0 HB2 CYS A 63 9.826 19.861 -10.137 1.00 72.12 H new ATOM 0 HB3 CYS A 63 11.543 19.529 -10.257 1.00 72.12 H new ATOM 0 HG CYS A 63 11.221 22.077 -9.086 1.00 54.22 H new ATOM 961 N GLY A 64 11.966 18.960 -13.951 1.00 23.41 N ATOM 962 CA GLY A 64 13.215 18.776 -14.668 1.00 34.33 C ATOM 963 C GLY A 64 14.099 17.722 -14.031 1.00 72.44 C ATOM 964 O GLY A 64 15.325 17.825 -14.069 1.00 72.44 O ATOM 0 H GLY A 64 11.154 18.521 -14.385 1.00 23.41 H new ATOM 0 HA2 GLY A 64 13.001 18.492 -15.698 1.00 34.33 H new ATOM 0 HA3 GLY A 64 13.753 19.723 -14.704 1.00 34.33 H new ATOM 968 N SER A 65 13.476 16.705 -13.443 1.00 52.42 N ATOM 969 CA SER A 65 14.214 15.631 -12.791 1.00 23.44 C ATOM 970 C SER A 65 13.763 14.269 -13.310 1.00 24.43 C ATOM 971 O SER A 65 12.715 13.757 -12.915 1.00 3.53 O ATOM 972 CB SER A 65 14.024 15.700 -11.274 1.00 74.32 C ATOM 973 OG SER A 65 13.967 17.044 -10.828 1.00 73.42 O ATOM 0 H SER A 65 12.462 16.603 -13.405 1.00 52.42 H new ATOM 0 HA SER A 65 15.271 15.757 -13.023 1.00 23.44 H new ATOM 0 HB2 SER A 65 13.106 15.182 -10.995 1.00 74.32 H new ATOM 0 HB3 SER A 65 14.845 15.183 -10.778 1.00 74.32 H new ATOM 0 HG SER A 65 13.036 17.349 -10.826 1.00 73.42 H new ATOM 979 N ARG A 66 14.563 13.686 -14.197 1.00 51.55 N ATOM 980 CA ARG A 66 14.247 12.385 -14.772 1.00 74.44 C ATOM 981 C ARG A 66 14.570 11.263 -13.789 1.00 54.23 C ATOM 982 O ARG A 66 15.364 10.371 -14.088 1.00 12.22 O ATOM 983 CB ARG A 66 15.023 12.176 -16.074 1.00 21.22 C ATOM 984 CG ARG A 66 16.529 12.301 -15.911 1.00 41.33 C ATOM 985 CD ARG A 66 17.251 11.075 -16.446 1.00 63.42 C ATOM 986 NE ARG A 66 18.498 10.817 -15.730 1.00 14.23 N ATOM 987 CZ ARG A 66 19.582 11.576 -15.845 1.00 14.45 C ATOM 988 NH1 ARG A 66 19.572 12.635 -16.643 1.00 20.02 N ATOM 989 NH2 ARG A 66 20.678 11.277 -15.160 1.00 10.55 N ATOM 0 H ARG A 66 15.435 14.095 -14.533 1.00 51.55 H new ATOM 0 HA ARG A 66 13.179 12.361 -14.986 1.00 74.44 H new ATOM 0 HB2 ARG A 66 14.790 11.188 -16.472 1.00 21.22 H new ATOM 0 HB3 ARG A 66 14.684 12.905 -16.810 1.00 21.22 H new ATOM 0 HG2 ARG A 66 16.880 13.189 -16.436 1.00 41.33 H new ATOM 0 HG3 ARG A 66 16.772 12.437 -14.857 1.00 41.33 H new ATOM 0 HD2 ARG A 66 16.599 10.206 -16.363 1.00 63.42 H new ATOM 0 HD3 ARG A 66 17.464 11.214 -17.506 1.00 63.42 H new ATOM 0 HE ARG A 66 18.538 10.010 -15.108 1.00 14.23 H new ATOM 0 HH11 ARG A 66 18.731 12.868 -17.170 1.00 20.02 H new ATOM 0 HH12 ARG A 66 20.406 13.216 -16.730 1.00 20.02 H new ATOM 0 HH21 ARG A 66 20.689 10.464 -14.544 1.00 10.55 H new ATOM 0 HH22 ARG A 66 21.510 11.860 -15.249 1.00 10.55 H new ATOM 1003 N VAL A 67 13.949 11.315 -12.615 1.00 53.41 N ATOM 1004 CA VAL A 67 14.169 10.304 -11.588 1.00 42.30 C ATOM 1005 C VAL A 67 13.677 8.937 -12.048 1.00 74.12 C ATOM 1006 O VAL A 67 12.909 8.832 -13.005 1.00 44.13 O ATOM 1007 CB VAL A 67 13.461 10.677 -10.272 1.00 74.02 C ATOM 1008 CG1 VAL A 67 11.965 10.420 -10.380 1.00 2.24 C ATOM 1009 CG2 VAL A 67 14.060 9.904 -9.107 1.00 42.22 C ATOM 0 H VAL A 67 13.289 12.047 -12.352 1.00 53.41 H new ATOM 0 HA VAL A 67 15.244 10.259 -11.413 1.00 42.30 H new ATOM 0 HB VAL A 67 13.611 11.741 -10.087 1.00 74.02 H new ATOM 0 HG11 VAL A 67 11.481 10.689 -9.441 1.00 2.24 H new ATOM 0 HG12 VAL A 67 11.550 11.022 -11.188 1.00 2.24 H new ATOM 0 HG13 VAL A 67 11.791 9.364 -10.588 1.00 2.24 H new ATOM 0 HG21 VAL A 67 13.548 10.180 -8.185 1.00 42.22 H new ATOM 0 HG22 VAL A 67 13.942 8.834 -9.281 1.00 42.22 H new ATOM 0 HG23 VAL A 67 15.120 10.143 -9.018 1.00 42.22 H new ATOM 1019 N ARG A 68 14.122 7.891 -11.360 1.00 4.11 N ATOM 1020 CA ARG A 68 13.727 6.529 -11.698 1.00 45.13 C ATOM 1021 C ARG A 68 12.737 5.980 -10.675 1.00 44.03 C ATOM 1022 O ARG A 68 13.117 5.615 -9.563 1.00 32.35 O ATOM 1023 CB ARG A 68 14.957 5.622 -11.772 1.00 2.13 C ATOM 1024 CG ARG A 68 14.684 4.277 -12.424 1.00 73.13 C ATOM 1025 CD ARG A 68 14.440 4.422 -13.918 1.00 70.13 C ATOM 1026 NE ARG A 68 15.558 5.073 -14.595 1.00 4.43 N ATOM 1027 CZ ARG A 68 16.687 4.450 -14.915 1.00 50.53 C ATOM 1028 NH1 ARG A 68 16.846 3.167 -14.623 1.00 12.00 N ATOM 1029 NH2 ARG A 68 17.659 5.111 -15.530 1.00 44.42 N ATOM 0 H ARG A 68 14.757 7.961 -10.565 1.00 4.11 H new ATOM 0 HA ARG A 68 13.241 6.550 -12.673 1.00 45.13 H new ATOM 0 HB2 ARG A 68 15.742 6.133 -12.329 1.00 2.13 H new ATOM 0 HB3 ARG A 68 15.337 5.457 -10.764 1.00 2.13 H new ATOM 0 HG2 ARG A 68 15.530 3.611 -12.255 1.00 73.13 H new ATOM 0 HG3 ARG A 68 13.816 3.814 -11.956 1.00 73.13 H new ATOM 0 HD2 ARG A 68 14.275 3.437 -14.355 1.00 70.13 H new ATOM 0 HD3 ARG A 68 13.531 5.000 -14.082 1.00 70.13 H new ATOM 0 HE ARG A 68 15.467 6.060 -14.835 1.00 4.43 H new ATOM 0 HH11 ARG A 68 16.100 2.655 -14.151 1.00 12.00 H new ATOM 0 HH12 ARG A 68 17.714 2.692 -14.870 1.00 12.00 H new ATOM 0 HH21 ARG A 68 17.540 6.098 -15.757 1.00 44.42 H new ATOM 0 HH22 ARG A 68 18.526 4.632 -15.775 1.00 44.42 H new ATOM 1043 N VAL A 69 11.466 5.925 -11.060 1.00 1.32 N ATOM 1044 CA VAL A 69 10.421 5.421 -10.177 1.00 24.41 C ATOM 1045 C VAL A 69 9.792 4.152 -10.740 1.00 74.40 C ATOM 1046 O VAL A 69 9.453 4.087 -11.921 1.00 60.12 O ATOM 1047 CB VAL A 69 9.319 6.472 -9.954 1.00 15.43 C ATOM 1048 CG1 VAL A 69 8.345 6.007 -8.881 1.00 64.35 C ATOM 1049 CG2 VAL A 69 9.930 7.815 -9.583 1.00 64.03 C ATOM 0 H VAL A 69 11.135 6.223 -11.978 1.00 1.32 H new ATOM 0 HA VAL A 69 10.895 5.196 -9.222 1.00 24.41 H new ATOM 0 HB VAL A 69 8.766 6.594 -10.885 1.00 15.43 H new ATOM 0 HG11 VAL A 69 7.573 6.763 -8.738 1.00 64.35 H new ATOM 0 HG12 VAL A 69 7.882 5.070 -9.191 1.00 64.35 H new ATOM 0 HG13 VAL A 69 8.881 5.854 -7.945 1.00 64.35 H new ATOM 0 HG21 VAL A 69 9.136 8.546 -9.429 1.00 64.03 H new ATOM 0 HG22 VAL A 69 10.509 7.710 -8.666 1.00 64.03 H new ATOM 0 HG23 VAL A 69 10.583 8.153 -10.388 1.00 64.03 H new ATOM 1059 N GLU A 70 9.637 3.145 -9.886 1.00 25.41 N ATOM 1060 CA GLU A 70 9.048 1.877 -10.299 1.00 62.54 C ATOM 1061 C GLU A 70 8.421 1.155 -9.110 1.00 61.52 C ATOM 1062 O GLU A 70 8.729 1.453 -7.955 1.00 63.54 O ATOM 1063 CB GLU A 70 10.107 0.985 -10.951 1.00 24.23 C ATOM 1064 CG GLU A 70 9.775 0.590 -12.380 1.00 5.11 C ATOM 1065 CD GLU A 70 10.862 0.984 -13.361 1.00 42.23 C ATOM 1066 OE1 GLU A 70 10.963 2.187 -13.683 1.00 35.12 O ATOM 1067 OE2 GLU A 70 11.612 0.091 -13.808 1.00 34.11 O ATOM 0 H GLU A 70 9.911 3.183 -8.904 1.00 25.41 H new ATOM 0 HA GLU A 70 8.265 2.090 -11.027 1.00 62.54 H new ATOM 0 HB2 GLU A 70 11.065 1.505 -10.940 1.00 24.23 H new ATOM 0 HB3 GLU A 70 10.228 0.082 -10.352 1.00 24.23 H new ATOM 0 HG2 GLU A 70 9.620 -0.488 -12.429 1.00 5.11 H new ATOM 0 HG3 GLU A 70 8.837 1.060 -12.675 1.00 5.11 H new ATOM 1074 N LEU A 71 7.539 0.204 -9.401 1.00 4.44 N ATOM 1075 CA LEU A 71 6.867 -0.561 -8.356 1.00 44.02 C ATOM 1076 C LEU A 71 7.340 -2.011 -8.354 1.00 70.22 C ATOM 1077 O LEU A 71 7.368 -2.667 -9.396 1.00 3.33 O ATOM 1078 CB LEU A 71 5.351 -0.507 -8.552 1.00 43.13 C ATOM 1079 CG LEU A 71 4.765 -1.523 -9.533 1.00 53.10 C ATOM 1080 CD1 LEU A 71 3.245 -1.497 -9.483 1.00 50.03 C ATOM 1081 CD2 LEU A 71 5.259 -1.247 -10.946 1.00 33.13 C ATOM 0 H LEU A 71 7.273 -0.055 -10.351 1.00 4.44 H new ATOM 0 HA LEU A 71 7.119 -0.115 -7.394 1.00 44.02 H new ATOM 0 HB2 LEU A 71 4.874 -0.651 -7.583 1.00 43.13 H new ATOM 0 HB3 LEU A 71 5.084 0.493 -8.893 1.00 43.13 H new ATOM 0 HG LEU A 71 5.101 -2.518 -9.240 1.00 53.10 H new ATOM 0 HD11 LEU A 71 2.845 -2.226 -10.188 1.00 50.03 H new ATOM 0 HD12 LEU A 71 2.910 -1.744 -8.476 1.00 50.03 H new ATOM 0 HD13 LEU A 71 2.889 -0.502 -9.750 1.00 50.03 H new ATOM 0 HD21 LEU A 71 4.832 -1.980 -11.630 1.00 33.13 H new ATOM 0 HD22 LEU A 71 4.953 -0.246 -11.249 1.00 33.13 H new ATOM 0 HD23 LEU A 71 6.346 -1.318 -10.972 1.00 33.13 H new ATOM 1093 N SER A 72 7.708 -2.507 -7.177 1.00 3.40 N ATOM 1094 CA SER A 72 8.181 -3.879 -7.039 1.00 61.14 C ATOM 1095 C SER A 72 7.021 -4.865 -7.134 1.00 31.45 C ATOM 1096 O SER A 72 7.108 -5.881 -7.825 1.00 35.03 O ATOM 1097 CB SER A 72 8.911 -4.058 -5.707 1.00 31.42 C ATOM 1098 OG SER A 72 10.292 -4.301 -5.910 1.00 41.14 O ATOM 0 H SER A 72 7.688 -1.979 -6.305 1.00 3.40 H new ATOM 0 HA SER A 72 8.875 -4.082 -7.855 1.00 61.14 H new ATOM 0 HB2 SER A 72 8.782 -3.165 -5.095 1.00 31.42 H new ATOM 0 HB3 SER A 72 8.470 -4.888 -5.156 1.00 31.42 H new ATOM 0 HG SER A 72 10.736 -4.410 -5.043 1.00 41.14 H new ATOM 1104 N THR A 73 5.933 -4.559 -6.433 1.00 5.04 N ATOM 1105 CA THR A 73 4.756 -5.417 -6.435 1.00 33.31 C ATOM 1106 C THR A 73 3.597 -4.759 -7.175 1.00 62.25 C ATOM 1107 O THR A 73 3.661 -3.582 -7.526 1.00 53.33 O ATOM 1108 CB THR A 73 4.306 -5.758 -5.002 1.00 23.44 C ATOM 1109 OG1 THR A 73 5.408 -5.620 -4.097 1.00 15.41 O ATOM 1110 CG2 THR A 73 3.759 -7.176 -4.929 1.00 2.01 C ATOM 0 H THR A 73 5.844 -3.722 -5.856 1.00 5.04 H new ATOM 0 HA THR A 73 5.037 -6.336 -6.948 1.00 33.31 H new ATOM 0 HB THR A 73 3.514 -5.065 -4.719 1.00 23.44 H new ATOM 0 HG1 THR A 73 5.075 -5.361 -3.213 1.00 15.41 H new ATOM 0 HG21 THR A 73 3.448 -7.394 -3.907 1.00 2.01 H new ATOM 0 HG22 THR A 73 2.903 -7.271 -5.597 1.00 2.01 H new ATOM 0 HG23 THR A 73 4.534 -7.881 -5.230 1.00 2.01 H new ATOM 1118 N GLY A 74 2.538 -5.528 -7.410 1.00 14.40 N ATOM 1119 CA GLY A 74 1.379 -5.001 -8.107 1.00 41.14 C ATOM 1120 C GLY A 74 1.404 -5.312 -9.591 1.00 5.32 C ATOM 1121 O GLY A 74 0.808 -4.593 -10.392 1.00 72.43 O ATOM 0 H GLY A 74 2.462 -6.506 -7.130 1.00 14.40 H new ATOM 0 HA2 GLY A 74 0.473 -5.418 -7.667 1.00 41.14 H new ATOM 0 HA3 GLY A 74 1.334 -3.921 -7.966 1.00 41.14 H new ATOM 1125 N MET A 75 2.099 -6.384 -9.957 1.00 75.12 N ATOM 1126 CA MET A 75 2.200 -6.788 -11.355 1.00 15.30 C ATOM 1127 C MET A 75 1.629 -8.188 -11.559 1.00 42.42 C ATOM 1128 O MET A 75 2.343 -9.189 -11.500 1.00 34.33 O ATOM 1129 CB MET A 75 3.658 -6.746 -11.816 1.00 33.11 C ATOM 1130 CG MET A 75 3.935 -5.676 -12.859 1.00 50.22 C ATOM 1131 SD MET A 75 3.500 -4.021 -12.289 1.00 71.35 S ATOM 1132 CE MET A 75 2.628 -3.389 -13.720 1.00 51.15 C ATOM 0 H MET A 75 2.600 -6.988 -9.306 1.00 75.12 H new ATOM 0 HA MET A 75 1.618 -6.087 -11.953 1.00 15.30 H new ATOM 0 HB2 MET A 75 4.299 -6.574 -10.951 1.00 33.11 H new ATOM 0 HB3 MET A 75 3.929 -7.719 -12.225 1.00 33.11 H new ATOM 0 HG2 MET A 75 4.992 -5.698 -13.125 1.00 50.22 H new ATOM 0 HG3 MET A 75 3.373 -5.903 -13.765 1.00 50.22 H new ATOM 0 HE1 MET A 75 2.295 -2.370 -13.522 1.00 51.15 H new ATOM 0 HE2 MET A 75 3.294 -3.392 -14.583 1.00 51.15 H new ATOM 0 HE3 MET A 75 1.764 -4.020 -13.927 1.00 51.15 H new ATOM 1142 N PRO A 76 0.313 -8.261 -11.806 1.00 32.24 N ATOM 1143 CA PRO A 76 -0.382 -9.534 -12.024 1.00 2.42 C ATOM 1144 C PRO A 76 0.002 -10.184 -13.349 1.00 0.24 C ATOM 1145 O PRO A 76 -0.209 -9.609 -14.417 1.00 24.22 O ATOM 1146 CB PRO A 76 -1.859 -9.134 -12.032 1.00 74.14 C ATOM 1147 CG PRO A 76 -1.863 -7.703 -12.447 1.00 64.33 C ATOM 1148 CD PRO A 76 -0.599 -7.108 -11.891 1.00 1.02 C ATOM 0 HA PRO A 76 -0.131 -10.272 -11.262 1.00 2.42 H new ATOM 0 HB2 PRO A 76 -2.432 -9.749 -12.726 1.00 74.14 H new ATOM 0 HB3 PRO A 76 -2.309 -9.262 -11.047 1.00 74.14 H new ATOM 0 HG2 PRO A 76 -1.893 -7.611 -13.533 1.00 64.33 H new ATOM 0 HG3 PRO A 76 -2.741 -7.187 -12.059 1.00 64.33 H new ATOM 0 HD2 PRO A 76 -0.202 -6.329 -12.541 1.00 1.02 H new ATOM 0 HD3 PRO A 76 -0.765 -6.654 -10.914 1.00 1.02 H new ATOM 1156 N ARG A 77 0.566 -11.385 -13.272 1.00 14.14 N ATOM 1157 CA ARG A 77 0.979 -12.113 -14.465 1.00 43.32 C ATOM 1158 C ARG A 77 0.736 -13.610 -14.301 1.00 23.14 C ATOM 1159 O ARG A 77 0.306 -14.066 -13.241 1.00 62.31 O ATOM 1160 CB ARG A 77 2.458 -11.854 -14.759 1.00 22.40 C ATOM 1161 CG ARG A 77 2.756 -11.628 -16.232 1.00 61.01 C ATOM 1162 CD ARG A 77 3.938 -10.691 -16.424 1.00 25.22 C ATOM 1163 NE ARG A 77 3.624 -9.592 -17.332 1.00 41.23 N ATOM 1164 CZ ARG A 77 4.477 -8.617 -17.630 1.00 34.53 C ATOM 1165 NH1 ARG A 77 5.689 -8.607 -17.094 1.00 2.43 N ATOM 1166 NH2 ARG A 77 4.117 -7.652 -18.465 1.00 51.44 N ATOM 0 H ARG A 77 0.747 -11.874 -12.396 1.00 14.14 H new ATOM 0 HA ARG A 77 0.381 -11.756 -15.303 1.00 43.32 H new ATOM 0 HB2 ARG A 77 2.785 -10.982 -14.193 1.00 22.40 H new ATOM 0 HB3 ARG A 77 3.044 -12.702 -14.404 1.00 22.40 H new ATOM 0 HG2 ARG A 77 2.966 -12.584 -16.713 1.00 61.01 H new ATOM 0 HG3 ARG A 77 1.876 -11.211 -16.722 1.00 61.01 H new ATOM 0 HD2 ARG A 77 4.241 -10.287 -15.458 1.00 25.22 H new ATOM 0 HD3 ARG A 77 4.786 -11.253 -16.815 1.00 25.22 H new ATOM 0 HE ARG A 77 2.699 -9.571 -17.761 1.00 41.23 H new ATOM 0 HH11 ARG A 77 5.969 -9.348 -16.452 1.00 2.43 H new ATOM 0 HH12 ARG A 77 6.342 -7.858 -17.324 1.00 2.43 H new ATOM 0 HH21 ARG A 77 3.185 -7.657 -18.879 1.00 51.44 H new ATOM 0 HH22 ARG A 77 4.772 -6.904 -18.693 1.00 51.44 H new ATOM 1180 N ARG A 78 1.014 -14.369 -15.356 1.00 1.14 N ATOM 1181 CA ARG A 78 0.824 -15.814 -15.329 1.00 21.24 C ATOM 1182 C ARG A 78 2.103 -16.523 -14.891 1.00 50.54 C ATOM 1183 O ARG A 78 2.063 -17.467 -14.103 1.00 72.33 O ATOM 1184 CB ARG A 78 0.394 -16.319 -16.707 1.00 63.41 C ATOM 1185 CG ARG A 78 1.393 -16.005 -17.809 1.00 74.23 C ATOM 1186 CD ARG A 78 2.309 -17.187 -18.085 1.00 33.32 C ATOM 1187 NE ARG A 78 1.673 -18.184 -18.942 1.00 31.41 N ATOM 1188 CZ ARG A 78 2.348 -19.084 -19.648 1.00 22.41 C ATOM 1189 NH1 ARG A 78 3.673 -19.113 -19.599 1.00 12.53 N ATOM 1190 NH2 ARG A 78 1.698 -19.959 -20.405 1.00 22.32 N ATOM 0 H ARG A 78 1.372 -14.007 -16.240 1.00 1.14 H new ATOM 0 HA ARG A 78 0.039 -16.039 -14.606 1.00 21.24 H new ATOM 0 HB2 ARG A 78 0.245 -17.398 -16.659 1.00 63.41 H new ATOM 0 HB3 ARG A 78 -0.568 -15.876 -16.963 1.00 63.41 H new ATOM 0 HG2 ARG A 78 0.858 -15.737 -18.720 1.00 74.23 H new ATOM 0 HG3 ARG A 78 1.991 -15.139 -17.524 1.00 74.23 H new ATOM 0 HD2 ARG A 78 3.225 -16.833 -18.559 1.00 33.32 H new ATOM 0 HD3 ARG A 78 2.597 -17.651 -17.141 1.00 33.32 H new ATOM 0 HE ARG A 78 0.655 -18.189 -19.002 1.00 31.41 H new ATOM 0 HH11 ARG A 78 4.177 -18.443 -19.018 1.00 12.53 H new ATOM 0 HH12 ARG A 78 4.188 -19.805 -20.142 1.00 12.53 H new ATOM 0 HH21 ARG A 78 0.679 -19.941 -20.445 1.00 22.32 H new ATOM 0 HH22 ARG A 78 2.217 -20.650 -20.947 1.00 22.32 H new ATOM 1204 N SER A 79 3.236 -16.060 -15.409 1.00 43.31 N ATOM 1205 CA SER A 79 4.527 -16.651 -15.076 1.00 33.42 C ATOM 1206 C SER A 79 5.509 -15.583 -14.604 1.00 73.23 C ATOM 1207 O SER A 79 5.153 -14.412 -14.474 1.00 43.34 O ATOM 1208 CB SER A 79 5.101 -17.389 -16.287 1.00 21.54 C ATOM 1209 OG SER A 79 4.500 -18.664 -16.439 1.00 41.33 O ATOM 0 H SER A 79 3.286 -15.277 -16.061 1.00 43.31 H new ATOM 0 HA SER A 79 4.374 -17.362 -14.264 1.00 33.42 H new ATOM 0 HB2 SER A 79 4.939 -16.797 -17.188 1.00 21.54 H new ATOM 0 HB3 SER A 79 6.179 -17.503 -16.170 1.00 21.54 H new ATOM 0 HG SER A 79 4.882 -19.115 -17.221 1.00 41.33 H new ATOM 1215 N ARG A 80 6.746 -15.997 -14.349 1.00 52.25 N ATOM 1216 CA ARG A 80 7.780 -15.077 -13.891 1.00 53.21 C ATOM 1217 C ARG A 80 7.410 -14.474 -12.539 1.00 41.51 C ATOM 1218 O ARG A 80 7.979 -13.465 -12.121 1.00 41.22 O ATOM 1219 CB ARG A 80 7.993 -13.963 -14.918 1.00 14.24 C ATOM 1220 CG ARG A 80 8.148 -14.469 -16.342 1.00 51.04 C ATOM 1221 CD ARG A 80 9.071 -13.574 -17.154 1.00 52.32 C ATOM 1222 NE ARG A 80 8.332 -12.559 -17.901 1.00 73.52 N ATOM 1223 CZ ARG A 80 7.724 -12.796 -19.058 1.00 61.34 C ATOM 1224 NH1 ARG A 80 7.767 -14.007 -19.598 1.00 41.40 N ATOM 1225 NH2 ARG A 80 7.071 -11.821 -19.678 1.00 62.41 N ATOM 0 H ARG A 80 7.056 -16.963 -14.452 1.00 52.25 H new ATOM 0 HA ARG A 80 8.707 -15.639 -13.778 1.00 53.21 H new ATOM 0 HB2 ARG A 80 7.148 -13.275 -14.876 1.00 14.24 H new ATOM 0 HB3 ARG A 80 8.882 -13.394 -14.645 1.00 14.24 H new ATOM 0 HG2 ARG A 80 8.544 -15.484 -16.327 1.00 51.04 H new ATOM 0 HG3 ARG A 80 7.170 -14.515 -16.821 1.00 51.04 H new ATOM 0 HD2 ARG A 80 9.782 -13.087 -16.487 1.00 52.32 H new ATOM 0 HD3 ARG A 80 9.650 -14.184 -17.847 1.00 52.32 H new ATOM 0 HE ARG A 80 8.280 -11.617 -17.513 1.00 73.52 H new ATOM 0 HH11 ARG A 80 8.268 -14.759 -19.125 1.00 41.40 H new ATOM 0 HH12 ARG A 80 7.299 -14.186 -20.487 1.00 41.40 H new ATOM 0 HH21 ARG A 80 7.036 -10.889 -19.266 1.00 62.41 H new ATOM 0 HH22 ARG A 80 6.605 -12.004 -20.566 1.00 62.41 H new ATOM 1239 N PHE A 81 6.453 -15.098 -11.860 1.00 44.31 N ATOM 1240 CA PHE A 81 6.006 -14.622 -10.556 1.00 44.22 C ATOM 1241 C PHE A 81 5.837 -15.784 -9.582 1.00 5.12 C ATOM 1242 O PHE A 81 5.068 -16.711 -9.833 1.00 32.53 O ATOM 1243 CB PHE A 81 4.687 -13.860 -10.693 1.00 14.14 C ATOM 1244 CG PHE A 81 4.859 -12.369 -10.753 1.00 14.04 C ATOM 1245 CD1 PHE A 81 5.142 -11.739 -11.953 1.00 52.35 C ATOM 1246 CD2 PHE A 81 4.737 -11.598 -9.608 1.00 5.23 C ATOM 1247 CE1 PHE A 81 5.300 -10.367 -12.012 1.00 43.22 C ATOM 1248 CE2 PHE A 81 4.894 -10.226 -9.660 1.00 44.34 C ATOM 1249 CZ PHE A 81 5.177 -9.610 -10.864 1.00 4.42 C ATOM 0 H PHE A 81 5.972 -15.934 -12.191 1.00 44.31 H new ATOM 0 HA PHE A 81 6.767 -13.949 -10.162 1.00 44.22 H new ATOM 0 HB2 PHE A 81 4.175 -14.195 -11.595 1.00 14.14 H new ATOM 0 HB3 PHE A 81 4.043 -14.110 -9.850 1.00 14.14 H new ATOM 0 HD1 PHE A 81 5.240 -12.327 -12.854 1.00 52.35 H new ATOM 0 HD2 PHE A 81 4.517 -12.075 -8.664 1.00 5.23 H new ATOM 0 HE1 PHE A 81 5.519 -9.888 -12.955 1.00 43.22 H new ATOM 0 HE2 PHE A 81 4.796 -9.636 -8.761 1.00 44.34 H new ATOM 0 HZ PHE A 81 5.302 -8.538 -10.907 1.00 4.42 H new ATOM 1259 N ASP A 82 6.563 -15.726 -8.470 1.00 75.02 N ATOM 1260 CA ASP A 82 6.494 -16.773 -7.457 1.00 15.40 C ATOM 1261 C ASP A 82 5.422 -16.454 -6.419 1.00 72.31 C ATOM 1262 O ASP A 82 4.645 -17.325 -6.027 1.00 62.51 O ATOM 1263 CB ASP A 82 7.851 -16.939 -6.772 1.00 71.20 C ATOM 1264 CG ASP A 82 8.448 -18.315 -6.997 1.00 13.44 C ATOM 1265 OD1 ASP A 82 7.807 -19.311 -6.602 1.00 12.35 O ATOM 1266 OD2 ASP A 82 9.556 -18.395 -7.567 1.00 2.14 O ATOM 0 H ASP A 82 7.205 -14.966 -8.248 1.00 75.02 H new ATOM 0 HA ASP A 82 6.229 -17.707 -7.952 1.00 15.40 H new ATOM 0 HB2 ASP A 82 8.539 -16.182 -7.147 1.00 71.20 H new ATOM 0 HB3 ASP A 82 7.738 -16.765 -5.702 1.00 71.20 H new ATOM 1271 N ARG A 83 5.387 -15.201 -5.978 1.00 35.35 N ATOM 1272 CA ARG A 83 4.412 -14.769 -4.983 1.00 53.34 C ATOM 1273 C ARG A 83 3.298 -13.952 -5.633 1.00 64.21 C ATOM 1274 O ARG A 83 3.441 -13.433 -6.740 1.00 51.03 O ATOM 1275 CB ARG A 83 5.096 -13.942 -3.893 1.00 51.44 C ATOM 1276 CG ARG A 83 5.392 -14.729 -2.627 1.00 44.24 C ATOM 1277 CD ARG A 83 6.623 -15.607 -2.793 1.00 1.44 C ATOM 1278 NE ARG A 83 6.912 -16.377 -1.586 1.00 75.52 N ATOM 1279 CZ ARG A 83 8.004 -17.118 -1.431 1.00 14.44 C ATOM 1280 NH1 ARG A 83 8.906 -17.186 -2.400 1.00 34.31 N ATOM 1281 NH2 ARG A 83 8.195 -17.791 -0.303 1.00 43.42 N ATOM 0 H ARG A 83 6.022 -14.467 -6.293 1.00 35.35 H new ATOM 0 HA ARG A 83 3.972 -15.658 -4.532 1.00 53.34 H new ATOM 0 HB2 ARG A 83 6.029 -13.539 -4.286 1.00 51.44 H new ATOM 0 HB3 ARG A 83 4.462 -13.092 -3.642 1.00 51.44 H new ATOM 0 HG2 ARG A 83 5.544 -14.040 -1.796 1.00 44.24 H new ATOM 0 HG3 ARG A 83 4.532 -15.349 -2.373 1.00 44.24 H new ATOM 0 HD2 ARG A 83 6.472 -16.288 -3.630 1.00 1.44 H new ATOM 0 HD3 ARG A 83 7.482 -14.984 -3.040 1.00 1.44 H new ATOM 0 HE ARG A 83 6.239 -16.344 -0.820 1.00 75.52 H new ATOM 0 HH11 ARG A 83 8.763 -16.669 -3.267 1.00 34.31 H new ATOM 0 HH12 ARG A 83 9.743 -17.756 -2.278 1.00 34.31 H new ATOM 0 HH21 ARG A 83 7.503 -17.739 0.445 1.00 43.42 H new ATOM 0 HH22 ARG A 83 9.033 -18.360 -0.184 1.00 43.42 H new ATOM 1295 N PRO A 84 2.162 -13.835 -4.930 1.00 23.42 N ATOM 1296 CA PRO A 84 1.003 -13.083 -5.418 1.00 74.53 C ATOM 1297 C PRO A 84 1.256 -11.580 -5.445 1.00 32.00 C ATOM 1298 O PRO A 84 1.911 -11.021 -4.565 1.00 54.21 O ATOM 1299 CB PRO A 84 -0.093 -13.423 -4.405 1.00 31.32 C ATOM 1300 CG PRO A 84 0.641 -13.779 -3.158 1.00 41.12 C ATOM 1301 CD PRO A 84 1.923 -14.428 -3.603 1.00 55.12 C ATOM 0 HA PRO A 84 0.750 -13.346 -6.445 1.00 74.53 H new ATOM 0 HB2 PRO A 84 -0.760 -12.576 -4.244 1.00 31.32 H new ATOM 0 HB3 PRO A 84 -0.709 -14.252 -4.752 1.00 31.32 H new ATOM 0 HG2 PRO A 84 0.841 -12.892 -2.556 1.00 41.12 H new ATOM 0 HG3 PRO A 84 0.054 -14.458 -2.540 1.00 41.12 H new ATOM 0 HD2 PRO A 84 2.741 -14.216 -2.915 1.00 55.12 H new ATOM 0 HD3 PRO A 84 1.826 -15.512 -3.659 1.00 55.12 H new ATOM 1309 N PRO A 85 0.725 -10.908 -6.478 1.00 24.04 N ATOM 1310 CA PRO A 85 0.880 -9.460 -6.643 1.00 2.33 C ATOM 1311 C PRO A 85 0.097 -8.670 -5.600 1.00 34.34 C ATOM 1312 O PRO A 85 -0.883 -9.163 -5.041 1.00 60.44 O ATOM 1313 CB PRO A 85 0.318 -9.200 -8.043 1.00 24.32 C ATOM 1314 CG PRO A 85 -0.637 -10.318 -8.281 1.00 30.33 C ATOM 1315 CD PRO A 85 -0.067 -11.510 -7.563 1.00 63.30 C ATOM 0 HA PRO A 85 1.916 -9.145 -6.519 1.00 2.33 H new ATOM 0 HB2 PRO A 85 -0.183 -8.233 -8.095 1.00 24.32 H new ATOM 0 HB3 PRO A 85 1.110 -9.189 -8.792 1.00 24.32 H new ATOM 0 HG2 PRO A 85 -1.629 -10.071 -7.902 1.00 30.33 H new ATOM 0 HG3 PRO A 85 -0.744 -10.519 -9.347 1.00 30.33 H new ATOM 0 HD2 PRO A 85 -0.852 -12.159 -7.175 1.00 63.30 H new ATOM 0 HD3 PRO A 85 0.552 -12.118 -8.223 1.00 63.30 H new ATOM 1323 N ALA A 86 0.534 -7.442 -5.342 1.00 22.20 N ATOM 1324 CA ALA A 86 -0.128 -6.584 -4.368 1.00 12.13 C ATOM 1325 C ALA A 86 -1.334 -5.882 -4.984 1.00 63.31 C ATOM 1326 O ALA A 86 -1.431 -4.655 -4.956 1.00 32.42 O ATOM 1327 CB ALA A 86 0.852 -5.562 -3.812 1.00 4.13 C ATOM 0 H ALA A 86 1.344 -7.019 -5.795 1.00 22.20 H new ATOM 0 HA ALA A 86 -0.484 -7.212 -3.551 1.00 12.13 H new ATOM 0 HB1 ALA A 86 0.343 -4.928 -3.086 1.00 4.13 H new ATOM 0 HB2 ALA A 86 1.680 -6.079 -3.326 1.00 4.13 H new ATOM 0 HB3 ALA A 86 1.236 -4.946 -4.625 1.00 4.13 H new ATOM 1333 N ARG A 87 -2.249 -6.668 -5.541 1.00 71.40 N ATOM 1334 CA ARG A 87 -3.447 -6.122 -6.166 1.00 54.21 C ATOM 1335 C ARG A 87 -4.672 -6.346 -5.283 1.00 44.42 C ATOM 1336 O ARG A 87 -5.653 -5.607 -5.367 1.00 72.33 O ATOM 1337 CB ARG A 87 -3.670 -6.762 -7.537 1.00 75.15 C ATOM 1338 CG ARG A 87 -2.475 -6.641 -8.468 1.00 23.11 C ATOM 1339 CD ARG A 87 -2.383 -5.252 -9.080 1.00 34.10 C ATOM 1340 NE ARG A 87 -2.891 -5.223 -10.449 1.00 41.21 N ATOM 1341 CZ ARG A 87 -2.582 -4.275 -11.327 1.00 62.33 C ATOM 1342 NH1 ARG A 87 -1.771 -3.285 -10.981 1.00 50.03 N ATOM 1343 NH2 ARG A 87 -3.084 -4.318 -12.555 1.00 4.31 N ATOM 0 H ARG A 87 -2.183 -7.685 -5.572 1.00 71.40 H new ATOM 0 HA ARG A 87 -3.303 -5.049 -6.293 1.00 54.21 H new ATOM 0 HB2 ARG A 87 -3.909 -7.817 -7.401 1.00 75.15 H new ATOM 0 HB3 ARG A 87 -4.536 -6.297 -8.009 1.00 75.15 H new ATOM 0 HG2 ARG A 87 -1.560 -6.858 -7.917 1.00 23.11 H new ATOM 0 HG3 ARG A 87 -2.554 -7.385 -9.261 1.00 23.11 H new ATOM 0 HD2 ARG A 87 -2.948 -4.548 -8.469 1.00 34.10 H new ATOM 0 HD3 ARG A 87 -1.345 -4.920 -9.071 1.00 34.10 H new ATOM 0 HE ARG A 87 -3.517 -5.971 -10.747 1.00 41.21 H new ATOM 0 HH11 ARG A 87 -1.382 -3.250 -10.039 1.00 50.03 H new ATOM 0 HH12 ARG A 87 -1.536 -2.559 -11.657 1.00 50.03 H new ATOM 0 HH21 ARG A 87 -3.707 -5.079 -12.825 1.00 4.31 H new ATOM 0 HH22 ARG A 87 -2.847 -3.590 -13.229 1.00 4.31 H new ATOM 1357 N ARG A 88 -4.606 -7.369 -4.438 1.00 1.02 N ATOM 1358 CA ARG A 88 -5.709 -7.691 -3.541 1.00 32.11 C ATOM 1359 C ARG A 88 -6.988 -7.964 -4.328 1.00 3.22 C ATOM 1360 O ARG A 88 -7.725 -7.041 -4.676 1.00 5.11 O ATOM 1361 CB ARG A 88 -5.941 -6.547 -2.552 1.00 22.44 C ATOM 1362 CG ARG A 88 -4.968 -6.546 -1.384 1.00 2.21 C ATOM 1363 CD ARG A 88 -5.567 -7.218 -0.158 1.00 51.15 C ATOM 1364 NE ARG A 88 -6.357 -6.288 0.644 1.00 33.22 N ATOM 1365 CZ ARG A 88 -7.098 -6.660 1.683 1.00 45.42 C ATOM 1366 NH1 ARG A 88 -7.148 -7.935 2.043 1.00 51.41 N ATOM 1367 NH2 ARG A 88 -7.789 -5.755 2.364 1.00 43.42 N ATOM 0 H ARG A 88 -3.800 -7.989 -4.356 1.00 1.02 H new ATOM 0 HA ARG A 88 -5.443 -8.592 -2.988 1.00 32.11 H new ATOM 0 HB2 ARG A 88 -5.861 -5.598 -3.082 1.00 22.44 H new ATOM 0 HB3 ARG A 88 -6.958 -6.612 -2.166 1.00 22.44 H new ATOM 0 HG2 ARG A 88 -4.052 -7.062 -1.672 1.00 2.21 H new ATOM 0 HG3 ARG A 88 -4.693 -5.520 -1.140 1.00 2.21 H new ATOM 0 HD2 ARG A 88 -6.196 -8.051 -0.472 1.00 51.15 H new ATOM 0 HD3 ARG A 88 -4.767 -7.636 0.454 1.00 51.15 H new ATOM 0 HE ARG A 88 -6.339 -5.299 0.393 1.00 33.22 H new ATOM 0 HH11 ARG A 88 -6.617 -8.633 1.522 1.00 51.41 H new ATOM 0 HH12 ARG A 88 -7.717 -8.218 2.841 1.00 51.41 H new ATOM 0 HH21 ARG A 88 -7.752 -4.773 2.090 1.00 43.42 H new ATOM 0 HH22 ARG A 88 -8.357 -6.041 3.161 1.00 43.42 H new ATOM 1381 N LYS A 89 -7.245 -9.237 -4.606 1.00 21.53 N ATOM 1382 CA LYS A 89 -8.434 -9.634 -5.351 1.00 10.43 C ATOM 1383 C LYS A 89 -9.660 -9.663 -4.443 1.00 41.44 C ATOM 1384 O LYS A 89 -9.537 -9.694 -3.218 1.00 55.11 O ATOM 1385 CB LYS A 89 -8.226 -11.009 -5.989 1.00 53.33 C ATOM 1386 CG LYS A 89 -8.979 -11.193 -7.295 1.00 54.25 C ATOM 1387 CD LYS A 89 -8.806 -12.599 -7.846 1.00 13.54 C ATOM 1388 CE LYS A 89 -9.064 -12.646 -9.344 1.00 21.41 C ATOM 1389 NZ LYS A 89 -8.224 -13.674 -10.019 1.00 21.34 N ATOM 0 H LYS A 89 -6.645 -10.013 -4.326 1.00 21.53 H new ATOM 0 HA LYS A 89 -8.603 -8.898 -6.137 1.00 10.43 H new ATOM 0 HB2 LYS A 89 -7.162 -11.160 -6.169 1.00 53.33 H new ATOM 0 HB3 LYS A 89 -8.543 -11.779 -5.285 1.00 53.33 H new ATOM 0 HG2 LYS A 89 -10.038 -10.991 -7.137 1.00 54.25 H new ATOM 0 HG3 LYS A 89 -8.622 -10.468 -8.027 1.00 54.25 H new ATOM 0 HD2 LYS A 89 -7.795 -12.950 -7.639 1.00 13.54 H new ATOM 0 HD3 LYS A 89 -9.490 -13.277 -7.336 1.00 13.54 H new ATOM 0 HE2 LYS A 89 -10.117 -12.862 -9.525 1.00 21.41 H new ATOM 0 HE3 LYS A 89 -8.860 -11.667 -9.779 1.00 21.41 H new ATOM 0 HZ1 LYS A 89 -8.429 -13.675 -11.039 1.00 21.34 H new ATOM 0 HZ2 LYS A 89 -7.219 -13.454 -9.868 1.00 21.34 H new ATOM 0 HZ3 LYS A 89 -8.437 -14.611 -9.622 1.00 21.34 H new ATOM 1403 N LEU A 90 -10.841 -9.653 -5.052 1.00 23.52 N ATOM 1404 CA LEU A 90 -12.090 -9.680 -4.299 1.00 23.54 C ATOM 1405 C LEU A 90 -13.227 -10.237 -5.150 1.00 1.35 C ATOM 1406 O LEU A 90 -14.397 -9.925 -4.922 1.00 23.21 O ATOM 1407 CB LEU A 90 -12.444 -8.275 -3.810 1.00 2.14 C ATOM 1408 CG LEU A 90 -12.940 -8.171 -2.367 1.00 72.41 C ATOM 1409 CD1 LEU A 90 -11.810 -7.747 -1.443 1.00 2.33 C ATOM 1410 CD2 LEU A 90 -14.104 -7.196 -2.272 1.00 52.44 C ATOM 0 H LEU A 90 -10.960 -9.626 -6.065 1.00 23.52 H new ATOM 0 HA LEU A 90 -11.952 -10.333 -3.438 1.00 23.54 H new ATOM 0 HB2 LEU A 90 -11.563 -7.642 -3.917 1.00 2.14 H new ATOM 0 HB3 LEU A 90 -13.211 -7.866 -4.467 1.00 2.14 H new ATOM 0 HG LEU A 90 -13.289 -9.154 -2.052 1.00 72.41 H new ATOM 0 HD11 LEU A 90 -12.182 -7.678 -0.421 1.00 2.33 H new ATOM 0 HD12 LEU A 90 -11.007 -8.483 -1.488 1.00 2.33 H new ATOM 0 HD13 LEU A 90 -11.429 -6.775 -1.756 1.00 2.33 H new ATOM 0 HD21 LEU A 90 -14.444 -7.135 -1.238 1.00 52.44 H new ATOM 0 HD22 LEU A 90 -13.781 -6.210 -2.607 1.00 52.44 H new ATOM 0 HD23 LEU A 90 -14.922 -7.544 -2.903 1.00 52.44 H new ATOM 1422 N LEU A 91 -12.876 -11.063 -6.129 1.00 54.30 N ATOM 1423 CA LEU A 91 -13.868 -11.665 -7.013 1.00 61.24 C ATOM 1424 C LEU A 91 -14.377 -10.651 -8.032 1.00 44.34 C ATOM 1425 O LEU A 91 -15.162 -10.987 -8.918 1.00 22.20 O ATOM 1426 CB LEU A 91 -15.039 -12.217 -6.198 1.00 64.43 C ATOM 1427 CG LEU A 91 -15.559 -13.593 -6.617 1.00 44.14 C ATOM 1428 CD1 LEU A 91 -16.156 -13.535 -8.015 1.00 13.44 C ATOM 1429 CD2 LEU A 91 -14.443 -14.626 -6.555 1.00 74.40 C ATOM 0 H LEU A 91 -11.913 -11.331 -6.331 1.00 54.30 H new ATOM 0 HA LEU A 91 -13.389 -12.484 -7.550 1.00 61.24 H new ATOM 0 HB2 LEU A 91 -14.736 -12.268 -5.152 1.00 64.43 H new ATOM 0 HB3 LEU A 91 -15.863 -11.506 -6.256 1.00 64.43 H new ATOM 0 HG LEU A 91 -16.343 -13.891 -5.921 1.00 44.14 H new ATOM 0 HD11 LEU A 91 -16.521 -14.523 -8.296 1.00 13.44 H new ATOM 0 HD12 LEU A 91 -16.983 -12.825 -8.028 1.00 13.44 H new ATOM 0 HD13 LEU A 91 -15.392 -13.215 -8.724 1.00 13.44 H new ATOM 0 HD21 LEU A 91 -14.831 -15.599 -6.856 1.00 74.40 H new ATOM 0 HD22 LEU A 91 -13.637 -14.332 -7.228 1.00 74.40 H new ATOM 0 HD23 LEU A 91 -14.060 -14.688 -5.536 1.00 74.40 H new ATOM 1441 N GLU A 92 -13.922 -9.408 -7.901 1.00 64.51 N ATOM 1442 CA GLU A 92 -14.330 -8.346 -8.812 1.00 52.31 C ATOM 1443 C GLU A 92 -13.296 -8.148 -9.917 1.00 31.33 C ATOM 1444 O GLU A 92 -13.636 -7.785 -11.043 1.00 3.12 O ATOM 1445 CB GLU A 92 -14.531 -7.036 -8.046 1.00 63.32 C ATOM 1446 CG GLU A 92 -15.534 -6.099 -8.696 1.00 14.30 C ATOM 1447 CD GLU A 92 -15.680 -4.789 -7.946 1.00 2.02 C ATOM 1448 OE1 GLU A 92 -14.744 -4.425 -7.203 1.00 12.41 O ATOM 1449 OE2 GLU A 92 -16.728 -4.129 -8.101 1.00 12.20 O ATOM 0 H GLU A 92 -13.271 -9.113 -7.173 1.00 64.51 H new ATOM 0 HA GLU A 92 -15.274 -8.640 -9.271 1.00 52.31 H new ATOM 0 HB2 GLU A 92 -14.863 -7.264 -7.033 1.00 63.32 H new ATOM 0 HB3 GLU A 92 -13.572 -6.525 -7.959 1.00 63.32 H new ATOM 0 HG2 GLU A 92 -15.223 -5.894 -9.720 1.00 14.30 H new ATOM 0 HG3 GLU A 92 -16.504 -6.592 -8.750 1.00 14.30 H new ATOM 1456 N VAL A 93 -12.032 -8.390 -9.586 1.00 24.24 N ATOM 1457 CA VAL A 93 -10.947 -8.240 -10.548 1.00 51.04 C ATOM 1458 C VAL A 93 -10.589 -9.578 -11.186 1.00 54.44 C ATOM 1459 O VAL A 93 -10.755 -10.634 -10.575 1.00 3.25 O ATOM 1460 CB VAL A 93 -9.689 -7.646 -9.888 1.00 42.32 C ATOM 1461 CG1 VAL A 93 -8.650 -7.292 -10.941 1.00 44.01 C ATOM 1462 CG2 VAL A 93 -10.051 -6.426 -9.054 1.00 22.42 C ATOM 0 H VAL A 93 -11.734 -8.691 -8.658 1.00 24.24 H new ATOM 0 HA VAL A 93 -11.301 -7.556 -11.319 1.00 51.04 H new ATOM 0 HB VAL A 93 -9.259 -8.397 -9.225 1.00 42.32 H new ATOM 0 HG11 VAL A 93 -7.768 -6.874 -10.456 1.00 44.01 H new ATOM 0 HG12 VAL A 93 -8.370 -8.190 -11.492 1.00 44.01 H new ATOM 0 HG13 VAL A 93 -9.067 -6.558 -11.631 1.00 44.01 H new ATOM 0 HG21 VAL A 93 -9.150 -6.019 -8.595 1.00 22.42 H new ATOM 0 HG22 VAL A 93 -10.506 -5.670 -9.694 1.00 22.42 H new ATOM 0 HG23 VAL A 93 -10.757 -6.714 -8.275 1.00 22.42 H new ATOM 1472 N LEU A 94 -10.098 -9.526 -12.419 1.00 50.15 N ATOM 1473 CA LEU A 94 -9.715 -10.734 -13.142 1.00 35.21 C ATOM 1474 C LEU A 94 -8.913 -10.390 -14.392 1.00 44.13 C ATOM 1475 O LEU A 94 -9.062 -9.308 -14.960 1.00 4.40 O ATOM 1476 CB LEU A 94 -10.959 -11.538 -13.526 1.00 12.22 C ATOM 1477 CG LEU A 94 -10.707 -12.936 -14.091 1.00 62.00 C ATOM 1478 CD1 LEU A 94 -11.685 -13.937 -13.496 1.00 53.23 C ATOM 1479 CD2 LEU A 94 -10.810 -12.924 -15.609 1.00 62.22 C ATOM 0 H LEU A 94 -9.956 -8.660 -12.939 1.00 50.15 H new ATOM 0 HA LEU A 94 -9.088 -11.337 -12.485 1.00 35.21 H new ATOM 0 HB2 LEU A 94 -11.592 -11.633 -12.644 1.00 12.22 H new ATOM 0 HB3 LEU A 94 -11.523 -10.966 -14.263 1.00 12.22 H new ATOM 0 HG LEU A 94 -9.697 -13.241 -13.818 1.00 62.00 H new ATOM 0 HD11 LEU A 94 -11.490 -14.926 -13.910 1.00 53.23 H new ATOM 0 HD12 LEU A 94 -11.562 -13.966 -12.413 1.00 53.23 H new ATOM 0 HD13 LEU A 94 -12.705 -13.637 -13.737 1.00 53.23 H new ATOM 0 HD21 LEU A 94 -10.628 -13.927 -15.994 1.00 62.22 H new ATOM 0 HD22 LEU A 94 -11.808 -12.598 -15.903 1.00 62.22 H new ATOM 0 HD23 LEU A 94 -10.069 -12.238 -16.019 1.00 62.22 H new ATOM 1491 N PHE A 95 -8.062 -11.318 -14.818 1.00 34.44 N ATOM 1492 CA PHE A 95 -7.237 -11.114 -16.002 1.00 5.11 C ATOM 1493 C PHE A 95 -7.416 -12.259 -16.994 1.00 40.04 C ATOM 1494 O PHE A 95 -7.210 -13.424 -16.658 1.00 33.13 O ATOM 1495 CB PHE A 95 -5.763 -10.992 -15.607 1.00 72.14 C ATOM 1496 CG PHE A 95 -5.223 -12.215 -14.923 1.00 22.00 C ATOM 1497 CD1 PHE A 95 -5.436 -12.419 -13.569 1.00 41.42 C ATOM 1498 CD2 PHE A 95 -4.501 -13.161 -15.633 1.00 52.24 C ATOM 1499 CE1 PHE A 95 -4.940 -13.543 -12.936 1.00 73.13 C ATOM 1500 CE2 PHE A 95 -4.004 -14.287 -15.006 1.00 64.31 C ATOM 1501 CZ PHE A 95 -4.222 -14.478 -13.656 1.00 33.13 C ATOM 0 H PHE A 95 -7.926 -12.219 -14.360 1.00 34.44 H new ATOM 0 HA PHE A 95 -7.556 -10.189 -16.482 1.00 5.11 H new ATOM 0 HB2 PHE A 95 -5.171 -10.794 -16.500 1.00 72.14 H new ATOM 0 HB3 PHE A 95 -5.642 -10.133 -14.947 1.00 72.14 H new ATOM 0 HD1 PHE A 95 -5.996 -11.691 -13.002 1.00 41.42 H new ATOM 0 HD2 PHE A 95 -4.325 -13.016 -16.689 1.00 52.24 H new ATOM 0 HE1 PHE A 95 -5.113 -13.690 -11.880 1.00 73.13 H new ATOM 0 HE2 PHE A 95 -3.445 -15.018 -15.572 1.00 64.31 H new ATOM 0 HZ PHE A 95 -3.832 -15.357 -13.164 1.00 33.13 H new ATOM 1511 N ASN A 96 -7.802 -11.917 -18.220 1.00 24.25 N ATOM 1512 CA ASN A 96 -8.010 -12.916 -19.262 1.00 13.14 C ATOM 1513 C ASN A 96 -7.389 -12.465 -20.580 1.00 10.41 C ATOM 1514 O ASN A 96 -7.872 -12.812 -21.657 1.00 1.31 O ATOM 1515 CB ASN A 96 -9.505 -13.179 -19.453 1.00 54.31 C ATOM 1516 CG ASN A 96 -10.294 -11.902 -19.671 1.00 44.35 C ATOM 1517 OD1 ASN A 96 -10.607 -11.539 -20.805 1.00 51.23 O ATOM 1518 ND2 ASN A 96 -10.617 -11.213 -18.583 1.00 75.12 N ATOM 0 H ASN A 96 -7.977 -10.956 -18.515 1.00 24.25 H new ATOM 0 HA ASN A 96 -7.522 -13.839 -18.949 1.00 13.14 H new ATOM 0 HB2 ASN A 96 -9.648 -13.842 -20.307 1.00 54.31 H new ATOM 0 HB3 ASN A 96 -9.894 -13.698 -18.577 1.00 54.31 H new ATOM 0 HD21 ASN A 96 -11.146 -10.345 -18.667 1.00 75.12 H new ATOM 0 HD22 ASN A 96 -10.336 -11.552 -17.663 1.00 75.12 H new ATOM 1525 N GLY A 97 -6.314 -11.688 -20.486 1.00 64.21 N ATOM 1526 CA GLY A 97 -5.643 -11.202 -21.678 1.00 32.31 C ATOM 1527 C GLY A 97 -6.430 -10.115 -22.383 1.00 63.32 C ATOM 1528 O GLY A 97 -6.934 -10.303 -23.490 1.00 72.34 O ATOM 0 H GLY A 97 -5.896 -11.386 -19.606 1.00 64.21 H new ATOM 0 HA2 GLY A 97 -4.660 -10.817 -21.407 1.00 32.31 H new ATOM 0 HA3 GLY A 97 -5.481 -12.033 -22.365 1.00 32.31 H new ATOM 1532 N PRO A 98 -6.544 -8.947 -21.735 1.00 14.24 N ATOM 1533 CA PRO A 98 -7.275 -7.803 -22.288 1.00 13.13 C ATOM 1534 C PRO A 98 -6.561 -7.181 -23.483 1.00 21.41 C ATOM 1535 O PRO A 98 -7.200 -6.680 -24.409 1.00 64.43 O ATOM 1536 CB PRO A 98 -7.323 -6.814 -21.120 1.00 30.30 C ATOM 1537 CG PRO A 98 -6.145 -7.165 -20.278 1.00 42.14 C ATOM 1538 CD PRO A 98 -5.969 -8.652 -20.412 1.00 23.34 C ATOM 0 HA PRO A 98 -8.258 -8.090 -22.662 1.00 13.13 H new ATOM 0 HB2 PRO A 98 -7.266 -5.784 -21.471 1.00 30.30 H new ATOM 0 HB3 PRO A 98 -8.253 -6.909 -20.559 1.00 30.30 H new ATOM 0 HG2 PRO A 98 -5.254 -6.635 -20.613 1.00 42.14 H new ATOM 0 HG3 PRO A 98 -6.311 -6.884 -19.238 1.00 42.14 H new ATOM 0 HD2 PRO A 98 -4.919 -8.939 -20.358 1.00 23.34 H new ATOM 0 HD3 PRO A 98 -6.488 -9.191 -19.619 1.00 23.34 H new ATOM 1546 N LEU A 99 -5.233 -7.217 -23.457 1.00 32.33 N ATOM 1547 CA LEU A 99 -4.431 -6.658 -24.539 1.00 52.32 C ATOM 1548 C LEU A 99 -4.453 -7.571 -25.761 1.00 2.41 C ATOM 1549 O LEU A 99 -4.494 -8.794 -25.632 1.00 40.34 O ATOM 1550 CB LEU A 99 -2.990 -6.443 -24.074 1.00 62.11 C ATOM 1551 CG LEU A 99 -2.691 -5.096 -23.415 1.00 22.33 C ATOM 1552 CD1 LEU A 99 -3.294 -5.040 -22.020 1.00 4.54 C ATOM 1553 CD2 LEU A 99 -1.190 -4.851 -23.360 1.00 20.04 C ATOM 0 H LEU A 99 -4.689 -7.628 -22.698 1.00 32.33 H new ATOM 0 HA LEU A 99 -4.863 -5.697 -24.819 1.00 52.32 H new ATOM 0 HB2 LEU A 99 -2.735 -7.234 -23.369 1.00 62.11 H new ATOM 0 HB3 LEU A 99 -2.331 -6.558 -24.934 1.00 62.11 H new ATOM 0 HG LEU A 99 -3.145 -4.309 -24.017 1.00 22.33 H new ATOM 0 HD11 LEU A 99 -3.071 -4.074 -21.566 1.00 4.54 H new ATOM 0 HD12 LEU A 99 -4.374 -5.170 -22.085 1.00 4.54 H new ATOM 0 HD13 LEU A 99 -2.869 -5.835 -21.408 1.00 4.54 H new ATOM 0 HD21 LEU A 99 -0.996 -3.888 -22.888 1.00 20.04 H new ATOM 0 HD22 LEU A 99 -0.713 -5.642 -22.781 1.00 20.04 H new ATOM 0 HD23 LEU A 99 -0.785 -4.848 -24.372 1.00 20.04 H new ATOM 1565 N GLU A 100 -4.423 -6.967 -26.945 1.00 64.00 N ATOM 1566 CA GLU A 100 -4.437 -7.727 -28.190 1.00 13.24 C ATOM 1567 C GLU A 100 -3.019 -8.080 -28.628 1.00 51.23 C ATOM 1568 O GLU A 100 -2.807 -8.593 -29.727 1.00 62.24 O ATOM 1569 CB GLU A 100 -5.140 -6.930 -29.291 1.00 33.41 C ATOM 1570 CG GLU A 100 -4.507 -5.576 -29.562 1.00 24.22 C ATOM 1571 CD GLU A 100 -4.820 -5.053 -30.950 1.00 43.11 C ATOM 1572 OE1 GLU A 100 -5.046 -5.879 -31.859 1.00 15.41 O ATOM 1573 OE2 GLU A 100 -4.838 -3.817 -31.127 1.00 40.32 O ATOM 0 H GLU A 100 -4.389 -5.955 -27.068 1.00 64.00 H new ATOM 0 HA GLU A 100 -4.985 -8.653 -28.015 1.00 13.24 H new ATOM 0 HB2 GLU A 100 -5.134 -7.515 -30.211 1.00 33.41 H new ATOM 0 HB3 GLU A 100 -6.184 -6.784 -29.012 1.00 33.41 H new ATOM 0 HG2 GLU A 100 -4.859 -4.859 -28.820 1.00 24.22 H new ATOM 0 HG3 GLU A 100 -3.426 -5.654 -29.442 1.00 24.22 H new ATOM 1580 N HIS A 101 -2.051 -7.800 -27.761 1.00 61.34 N ATOM 1581 CA HIS A 101 -0.652 -8.088 -28.059 1.00 11.04 C ATOM 1582 C HIS A 101 -0.171 -7.269 -29.253 1.00 21.24 C ATOM 1583 O HIS A 101 0.916 -6.691 -29.223 1.00 62.22 O ATOM 1584 CB HIS A 101 -0.465 -9.579 -28.339 1.00 63.31 C ATOM 1585 CG HIS A 101 0.423 -10.268 -27.348 1.00 74.25 C ATOM 1586 ND1 HIS A 101 0.150 -11.519 -26.836 1.00 70.14 N ATOM 1587 CD2 HIS A 101 1.585 -9.874 -26.777 1.00 34.41 C ATOM 1588 CE1 HIS A 101 1.105 -11.864 -25.991 1.00 60.24 C ATOM 1589 NE2 HIS A 101 1.988 -10.884 -25.938 1.00 2.44 N ATOM 0 H HIS A 101 -2.209 -7.375 -26.848 1.00 61.34 H new ATOM 0 HA HIS A 101 -0.056 -7.812 -27.189 1.00 11.04 H new ATOM 0 HB2 HIS A 101 -1.441 -10.065 -28.340 1.00 63.31 H new ATOM 0 HB3 HIS A 101 -0.046 -9.703 -29.338 1.00 63.31 H new ATOM 0 HD2 HIS A 101 2.099 -8.940 -26.949 1.00 34.41 H new ATOM 0 HE1 HIS A 101 1.155 -12.790 -25.438 1.00 60.24 H new ATOM 0 HE2 HIS A 101 2.833 -10.878 -25.366 1.00 2.44 H new TER 1597 HIS A 101