USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 596 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 19 ASN : amide:sc= 0.847 K(o=1.6,f=-2.4!) USER MOD Set 1.2: A 56 THR OG1 : rot -157:sc= 0.717 USER MOD Set 2.1: A 34 SER OG : rot 42:sc= 0.605 USER MOD Set 2.2: A 37 GLN : amide:sc= 0.685 K(o=1.3,f=0.023) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 8:sc= 0.313 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0234) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.14) USER MOD Single : A 30 GLN : amide:sc= 0.52 K(o=0.52,f=-0.71) USER MOD Single : A 36 THR OG1 : rot 81:sc= 0.513 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -169:sc= -0.0375 (180deg=-0.201) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 55 MET CE :methyl 166:sc= -0.658 (180deg=-1.36) USER MOD Single : A 59 SER OG : rot 170:sc= -9e-05 USER MOD Single : A 60 MET CE :methyl 146:sc= -1.3 (180deg=-4.62!) USER MOD Single : A 62 SER OG : rot -42:sc= 0.245 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -140:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.337 7.415 -11.799 1.00 0.00 N ATOM 2 CA GLY A 1 -19.043 7.740 -11.187 1.00 0.00 C ATOM 3 C GLY A 1 -19.116 9.084 -10.493 1.00 0.00 C ATOM 4 O GLY A 1 -19.939 9.257 -9.595 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.275 6.491 -12.272 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.070 7.378 -11.062 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.584 8.145 -12.497 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.767 6.967 -10.470 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.266 7.759 -11.951 1.00 0.00 H new ATOM 8 N SER A 2 -18.276 10.038 -10.907 1.00 0.00 N ATOM 9 CA SER A 2 -18.085 11.333 -10.267 1.00 0.00 C ATOM 10 C SER A 2 -17.590 11.154 -8.831 1.00 0.00 C ATOM 11 O SER A 2 -16.372 11.096 -8.651 1.00 0.00 O ATOM 12 CB SER A 2 -19.319 12.231 -10.443 1.00 0.00 C ATOM 13 OG SER A 2 -19.045 13.535 -9.973 1.00 0.00 O ATOM 0 H SER A 2 -17.688 9.919 -11.732 1.00 0.00 H new ATOM 0 HA SER A 2 -17.289 11.882 -10.769 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.604 12.268 -11.494 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.164 11.810 -9.898 1.00 0.00 H new ATOM 0 HG SER A 2 -19.838 14.099 -10.092 1.00 0.00 H new ATOM 19 N SER A 3 -18.471 11.038 -7.837 1.00 0.00 N ATOM 20 CA SER A 3 -18.121 10.791 -6.447 1.00 0.00 C ATOM 21 C SER A 3 -19.169 9.839 -5.878 1.00 0.00 C ATOM 22 O SER A 3 -20.352 10.184 -5.855 1.00 0.00 O ATOM 23 CB SER A 3 -18.094 12.111 -5.664 1.00 0.00 C ATOM 24 OG SER A 3 -17.214 13.048 -6.262 1.00 0.00 O ATOM 0 H SER A 3 -19.477 11.116 -7.986 1.00 0.00 H new ATOM 0 HA SER A 3 -17.128 10.348 -6.368 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.099 12.530 -5.620 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.782 11.921 -4.637 1.00 0.00 H new ATOM 0 HG SER A 3 -17.219 13.879 -5.743 1.00 0.00 H new ATOM 30 N GLY A 4 -18.746 8.648 -5.456 1.00 0.00 N ATOM 31 CA GLY A 4 -19.610 7.618 -4.897 1.00 0.00 C ATOM 32 C GLY A 4 -19.443 6.297 -5.638 1.00 0.00 C ATOM 33 O GLY A 4 -18.838 6.246 -6.712 1.00 0.00 O ATOM 0 H GLY A 4 -17.766 8.369 -5.496 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.377 7.478 -3.841 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.649 7.941 -4.954 1.00 0.00 H new ATOM 37 N SER A 5 -19.987 5.226 -5.058 1.00 0.00 N ATOM 38 CA SER A 5 -20.046 3.910 -5.669 1.00 0.00 C ATOM 39 C SER A 5 -21.167 3.924 -6.710 1.00 0.00 C ATOM 40 O SER A 5 -22.297 3.495 -6.461 1.00 0.00 O ATOM 41 CB SER A 5 -20.237 2.842 -4.585 1.00 0.00 C ATOM 42 OG SER A 5 -20.064 1.550 -5.128 1.00 0.00 O ATOM 0 H SER A 5 -20.407 5.257 -4.129 1.00 0.00 H new ATOM 0 HA SER A 5 -19.115 3.660 -6.179 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.522 3.002 -3.778 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.233 2.930 -4.151 1.00 0.00 H new ATOM 0 HG SER A 5 -20.188 0.880 -4.424 1.00 0.00 H new ATOM 48 N SER A 6 -20.852 4.465 -7.882 1.00 0.00 N ATOM 49 CA SER A 6 -21.683 4.425 -9.067 1.00 0.00 C ATOM 50 C SER A 6 -20.764 4.348 -10.281 1.00 0.00 C ATOM 51 O SER A 6 -19.642 4.863 -10.256 1.00 0.00 O ATOM 52 CB SER A 6 -22.563 5.673 -9.114 1.00 0.00 C ATOM 53 OG SER A 6 -23.570 5.624 -8.123 1.00 0.00 O ATOM 0 H SER A 6 -19.974 4.962 -8.032 1.00 0.00 H new ATOM 0 HA SER A 6 -22.341 3.556 -9.058 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.948 6.561 -8.968 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.022 5.761 -10.099 1.00 0.00 H new ATOM 0 HG SER A 6 -23.410 4.859 -7.531 1.00 0.00 H new ATOM 59 N GLY A 7 -21.245 3.757 -11.370 1.00 0.00 N ATOM 60 CA GLY A 7 -20.390 3.341 -12.466 1.00 0.00 C ATOM 61 C GLY A 7 -19.703 2.041 -12.059 1.00 0.00 C ATOM 62 O GLY A 7 -20.359 1.114 -11.574 1.00 0.00 O ATOM 0 H GLY A 7 -22.235 3.556 -11.513 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.977 3.195 -13.373 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.650 4.111 -12.686 1.00 0.00 H new ATOM 66 N VAL A 8 -18.391 1.942 -12.239 1.00 0.00 N ATOM 67 CA VAL A 8 -17.663 0.676 -12.284 1.00 0.00 C ATOM 68 C VAL A 8 -16.517 0.696 -11.265 1.00 0.00 C ATOM 69 O VAL A 8 -16.700 1.229 -10.167 1.00 0.00 O ATOM 70 CB VAL A 8 -17.280 0.380 -13.754 1.00 0.00 C ATOM 71 CG1 VAL A 8 -18.552 0.107 -14.572 1.00 0.00 C ATOM 72 CG2 VAL A 8 -16.468 1.509 -14.414 1.00 0.00 C ATOM 0 H VAL A 8 -17.789 2.756 -12.361 1.00 0.00 H new ATOM 0 HA VAL A 8 -18.274 -0.171 -11.971 1.00 0.00 H new ATOM 0 HB VAL A 8 -16.636 -0.499 -13.741 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -18.281 -0.101 -15.607 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -19.076 -0.753 -14.154 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -19.202 0.981 -14.536 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -16.234 1.235 -15.443 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -17.052 2.429 -14.407 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.542 1.663 -13.860 1.00 0.00 H new ATOM 82 N ARG A 9 -15.374 0.066 -11.578 1.00 0.00 N ATOM 83 CA ARG A 9 -14.153 0.153 -10.786 1.00 0.00 C ATOM 84 C ARG A 9 -13.805 1.618 -10.536 1.00 0.00 C ATOM 85 O ARG A 9 -14.156 2.494 -11.332 1.00 0.00 O ATOM 86 CB ARG A 9 -12.997 -0.583 -11.498 1.00 0.00 C ATOM 87 CG ARG A 9 -12.996 -2.099 -11.237 1.00 0.00 C ATOM 88 CD ARG A 9 -13.892 -2.914 -12.181 1.00 0.00 C ATOM 89 NE ARG A 9 -14.285 -4.206 -11.588 1.00 0.00 N ATOM 90 CZ ARG A 9 -14.014 -5.438 -12.039 1.00 0.00 C ATOM 91 NH1 ARG A 9 -13.109 -5.653 -12.984 1.00 0.00 N ATOM 92 NH2 ARG A 9 -14.661 -6.477 -11.533 1.00 0.00 N ATOM 0 H ARG A 9 -15.278 -0.526 -12.403 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.312 -0.332 -9.823 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.067 -0.405 -12.571 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -12.048 -0.163 -11.167 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -11.974 -2.467 -11.321 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.316 -2.277 -10.210 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.786 -2.338 -12.421 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.365 -3.090 -13.119 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.831 -4.155 -10.728 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.597 -4.869 -13.388 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.925 -6.603 -13.307 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -15.361 -6.336 -10.804 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -14.459 -7.418 -11.872 1.00 0.00 H new ATOM 106 N VAL A 10 -13.075 1.879 -9.458 1.00 0.00 N ATOM 107 CA VAL A 10 -12.737 3.214 -8.986 1.00 0.00 C ATOM 108 C VAL A 10 -11.229 3.413 -9.146 1.00 0.00 C ATOM 109 O VAL A 10 -10.473 2.443 -9.163 1.00 0.00 O ATOM 110 CB VAL A 10 -13.248 3.351 -7.533 1.00 0.00 C ATOM 111 CG1 VAL A 10 -12.738 4.621 -6.837 1.00 0.00 C ATOM 112 CG2 VAL A 10 -14.786 3.345 -7.497 1.00 0.00 C ATOM 0 H VAL A 10 -12.689 1.141 -8.869 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.216 4.004 -9.564 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.854 2.491 -6.991 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.130 4.661 -5.821 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.649 4.606 -6.805 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.073 5.498 -7.390 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -15.126 3.442 -6.466 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -15.167 4.180 -8.085 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -15.156 2.408 -7.914 1.00 0.00 H new ATOM 122 N LEU A 11 -10.772 4.665 -9.224 1.00 0.00 N ATOM 123 CA LEU A 11 -9.361 5.015 -9.118 1.00 0.00 C ATOM 124 C LEU A 11 -9.235 5.961 -7.930 1.00 0.00 C ATOM 125 O LEU A 11 -9.388 7.176 -8.066 1.00 0.00 O ATOM 126 CB LEU A 11 -8.818 5.626 -10.426 1.00 0.00 C ATOM 127 CG LEU A 11 -8.969 4.735 -11.678 1.00 0.00 C ATOM 128 CD1 LEU A 11 -8.631 5.537 -12.937 1.00 0.00 C ATOM 129 CD2 LEU A 11 -8.058 3.507 -11.627 1.00 0.00 C ATOM 0 H LEU A 11 -11.382 5.471 -9.364 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.751 4.126 -8.957 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.331 6.571 -10.608 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.762 5.858 -10.289 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.005 4.397 -11.702 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.740 4.900 -13.815 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.308 6.387 -13.019 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.604 5.896 -12.875 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.200 2.911 -12.529 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.018 3.828 -11.564 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.306 2.906 -10.752 1.00 0.00 H new ATOM 141 N SER A 12 -9.064 5.392 -6.747 1.00 0.00 N ATOM 142 CA SER A 12 -8.755 6.067 -5.498 1.00 0.00 C ATOM 143 C SER A 12 -7.678 5.212 -4.848 1.00 0.00 C ATOM 144 O SER A 12 -7.928 4.038 -4.568 1.00 0.00 O ATOM 145 CB SER A 12 -10.023 6.198 -4.644 1.00 0.00 C ATOM 146 OG SER A 12 -9.797 7.054 -3.543 1.00 0.00 O ATOM 0 H SER A 12 -9.143 4.382 -6.627 1.00 0.00 H new ATOM 0 HA SER A 12 -8.396 7.087 -5.633 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.839 6.588 -5.253 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.332 5.215 -4.289 1.00 0.00 H new ATOM 0 HG SER A 12 -10.617 7.127 -3.011 1.00 0.00 H new ATOM 152 N TYR A 13 -6.454 5.718 -4.713 1.00 0.00 N ATOM 153 CA TYR A 13 -5.379 4.941 -4.115 1.00 0.00 C ATOM 154 C TYR A 13 -5.659 4.921 -2.620 1.00 0.00 C ATOM 155 O TYR A 13 -5.451 5.924 -1.936 1.00 0.00 O ATOM 156 CB TYR A 13 -4.013 5.550 -4.438 1.00 0.00 C ATOM 157 CG TYR A 13 -3.468 5.189 -5.813 1.00 0.00 C ATOM 158 CD1 TYR A 13 -4.195 5.486 -6.984 1.00 0.00 C ATOM 159 CD2 TYR A 13 -2.222 4.542 -5.920 1.00 0.00 C ATOM 160 CE1 TYR A 13 -3.682 5.142 -8.245 1.00 0.00 C ATOM 161 CE2 TYR A 13 -1.699 4.198 -7.178 1.00 0.00 C ATOM 162 CZ TYR A 13 -2.432 4.494 -8.350 1.00 0.00 C ATOM 163 OH TYR A 13 -1.944 4.170 -9.578 1.00 0.00 O ATOM 0 H TYR A 13 -6.186 6.657 -5.009 1.00 0.00 H new ATOM 0 HA TYR A 13 -5.346 3.927 -4.513 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.087 6.635 -4.364 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.298 5.227 -3.682 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.152 5.981 -6.911 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.663 4.308 -5.026 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.245 5.374 -9.137 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.739 3.708 -7.249 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.074 3.731 -9.479 1.00 0.00 H new ATOM 173 N ASP A 14 -6.186 3.800 -2.137 1.00 0.00 N ATOM 174 CA ASP A 14 -6.726 3.653 -0.793 1.00 0.00 C ATOM 175 C ASP A 14 -5.626 3.876 0.234 1.00 0.00 C ATOM 176 O ASP A 14 -4.825 2.972 0.487 1.00 0.00 O ATOM 177 CB ASP A 14 -7.346 2.266 -0.601 1.00 0.00 C ATOM 178 CG ASP A 14 -8.684 2.124 -1.307 1.00 0.00 C ATOM 179 OD1 ASP A 14 -9.713 2.526 -0.721 1.00 0.00 O ATOM 180 OD2 ASP A 14 -8.679 1.592 -2.442 1.00 0.00 O ATOM 0 H ASP A 14 -6.250 2.944 -2.688 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.508 4.400 -0.654 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.658 1.509 -0.977 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.479 2.075 0.464 1.00 0.00 H new ATOM 185 N LYS A 15 -5.563 5.081 0.805 1.00 0.00 N ATOM 186 CA LYS A 15 -4.626 5.377 1.881 1.00 0.00 C ATOM 187 C LYS A 15 -5.213 5.075 3.239 1.00 0.00 C ATOM 188 O LYS A 15 -4.438 4.881 4.167 1.00 0.00 O ATOM 189 CB LYS A 15 -4.078 6.817 1.825 1.00 0.00 C ATOM 190 CG LYS A 15 -5.120 7.909 1.535 1.00 0.00 C ATOM 191 CD LYS A 15 -4.504 9.322 1.601 1.00 0.00 C ATOM 192 CE LYS A 15 -5.196 10.338 0.677 1.00 0.00 C ATOM 193 NZ LYS A 15 -6.653 10.395 0.889 1.00 0.00 N ATOM 0 H LYS A 15 -6.154 5.868 0.536 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.777 4.711 1.725 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.597 7.042 2.777 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.305 6.864 1.058 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.551 7.746 0.547 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.935 7.834 2.255 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.555 9.684 2.628 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.448 9.262 1.336 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.769 11.327 0.845 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.993 10.076 -0.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.057 11.164 0.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.081 9.490 0.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.851 10.571 1.895 1.00 0.00 H new ATOM 207 N GLU A 16 -6.532 5.017 3.393 1.00 0.00 N ATOM 208 CA GLU A 16 -7.165 4.957 4.687 1.00 0.00 C ATOM 209 C GLU A 16 -7.457 3.500 5.038 1.00 0.00 C ATOM 210 O GLU A 16 -6.972 3.033 6.076 1.00 0.00 O ATOM 211 CB GLU A 16 -8.328 5.957 4.776 1.00 0.00 C ATOM 212 CG GLU A 16 -9.230 6.132 3.546 1.00 0.00 C ATOM 213 CD GLU A 16 -9.922 7.490 3.568 1.00 0.00 C ATOM 214 OE1 GLU A 16 -9.291 8.486 3.134 1.00 0.00 O ATOM 215 OE2 GLU A 16 -11.075 7.593 4.038 1.00 0.00 O ATOM 0 H GLU A 16 -7.188 5.011 2.612 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.501 5.298 5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.960 5.659 5.613 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.910 6.933 5.024 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.635 6.037 2.637 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.977 5.339 3.522 1.00 0.00 H new ATOM 222 N LYS A 17 -8.149 2.756 4.168 1.00 0.00 N ATOM 223 CA LYS A 17 -8.425 1.346 4.427 1.00 0.00 C ATOM 224 C LYS A 17 -7.208 0.480 4.134 1.00 0.00 C ATOM 225 O LYS A 17 -6.323 0.868 3.370 1.00 0.00 O ATOM 226 CB LYS A 17 -9.682 0.871 3.677 1.00 0.00 C ATOM 227 CG LYS A 17 -9.437 0.275 2.282 1.00 0.00 C ATOM 228 CD LYS A 17 -10.699 0.097 1.425 1.00 0.00 C ATOM 229 CE LYS A 17 -11.793 -0.661 2.190 1.00 0.00 C ATOM 230 NZ LYS A 17 -12.946 -1.033 1.343 1.00 0.00 N ATOM 0 H LYS A 17 -8.524 3.107 3.287 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.638 1.237 5.490 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.187 0.123 4.288 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.364 1.715 3.577 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.739 0.918 1.746 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.954 -0.695 2.397 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.075 1.074 1.122 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.448 -0.445 0.513 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.364 -1.564 2.625 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.143 -0.044 3.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.649 -1.541 1.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.378 -0.174 0.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.624 -1.646 0.568 1.00 0.00 H new ATOM 244 N LEU A 18 -7.179 -0.724 4.701 1.00 0.00 N ATOM 245 CA LEU A 18 -6.197 -1.730 4.402 1.00 0.00 C ATOM 246 C LEU A 18 -6.505 -2.257 3.013 1.00 0.00 C ATOM 247 O LEU A 18 -7.537 -2.900 2.825 1.00 0.00 O ATOM 248 CB LEU A 18 -6.275 -2.844 5.451 1.00 0.00 C ATOM 249 CG LEU A 18 -6.397 -2.403 6.916 1.00 0.00 C ATOM 250 CD1 LEU A 18 -5.313 -1.392 7.296 1.00 0.00 C ATOM 251 CD2 LEU A 18 -7.775 -1.905 7.368 1.00 0.00 C ATOM 0 H LEU A 18 -7.862 -1.022 5.398 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.185 -1.326 4.427 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.131 -3.476 5.213 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.384 -3.465 5.355 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.249 -3.333 7.464 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.434 -1.105 8.340 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.330 -1.842 7.155 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.402 -0.508 6.664 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.733 -1.623 8.420 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.063 -1.039 6.772 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.511 -2.698 7.234 1.00 0.00 H new ATOM 263 N ASN A 19 -5.670 -1.940 2.028 1.00 0.00 N ATOM 264 CA ASN A 19 -5.943 -2.340 0.644 1.00 0.00 C ATOM 265 C ASN A 19 -4.699 -2.731 -0.149 1.00 0.00 C ATOM 266 O ASN A 19 -4.800 -2.977 -1.351 1.00 0.00 O ATOM 267 CB ASN A 19 -6.763 -1.255 -0.087 1.00 0.00 C ATOM 268 CG ASN A 19 -7.969 -1.827 -0.832 1.00 0.00 C ATOM 269 OD1 ASN A 19 -8.509 -2.868 -0.473 1.00 0.00 O ATOM 270 ND2 ASN A 19 -8.476 -1.148 -1.844 1.00 0.00 N ATOM 0 H ASN A 19 -4.806 -1.413 2.156 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.538 -3.251 0.706 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -7.106 -0.516 0.637 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.118 -0.733 -0.794 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.310 -1.490 -2.321 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -8.033 -0.281 -2.149 1.00 0.00 H new ATOM 277 N TRP A 20 -3.538 -2.807 0.506 1.00 0.00 N ATOM 278 CA TRP A 20 -2.256 -3.060 -0.131 1.00 0.00 C ATOM 279 C TRP A 20 -1.568 -4.217 0.582 1.00 0.00 C ATOM 280 O TRP A 20 -1.304 -4.154 1.784 1.00 0.00 O ATOM 281 CB TRP A 20 -1.421 -1.780 -0.095 1.00 0.00 C ATOM 282 CG TRP A 20 -2.051 -0.622 -0.799 1.00 0.00 C ATOM 283 CD1 TRP A 20 -2.928 0.255 -0.264 1.00 0.00 C ATOM 284 CD2 TRP A 20 -1.850 -0.200 -2.175 1.00 0.00 C ATOM 285 NE1 TRP A 20 -3.326 1.157 -1.230 1.00 0.00 N ATOM 286 CE2 TRP A 20 -2.656 0.950 -2.421 1.00 0.00 C ATOM 287 CE3 TRP A 20 -1.026 -0.660 -3.220 1.00 0.00 C ATOM 288 CZ2 TRP A 20 -2.619 1.628 -3.648 1.00 0.00 C ATOM 289 CZ3 TRP A 20 -0.979 0.013 -4.454 1.00 0.00 C ATOM 290 CH2 TRP A 20 -1.766 1.159 -4.664 1.00 0.00 C ATOM 0 H TRP A 20 -3.468 -2.691 1.517 1.00 0.00 H new ATOM 0 HA TRP A 20 -2.386 -3.343 -1.176 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -1.241 -1.505 0.944 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -0.449 -1.980 -0.545 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.266 0.251 0.762 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -4.026 1.884 -1.083 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -0.421 -1.542 -3.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -3.237 2.499 -3.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -0.337 -0.351 -5.242 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -1.716 1.681 -5.608 1.00 0.00 H new ATOM 301 N LEU A 21 -1.275 -5.281 -0.150 1.00 0.00 N ATOM 302 CA LEU A 21 -0.573 -6.477 0.291 1.00 0.00 C ATOM 303 C LEU A 21 0.929 -6.285 0.055 1.00 0.00 C ATOM 304 O LEU A 21 1.330 -5.400 -0.712 1.00 0.00 O ATOM 305 CB LEU A 21 -1.083 -7.661 -0.551 1.00 0.00 C ATOM 306 CG LEU A 21 -2.605 -7.918 -0.465 1.00 0.00 C ATOM 307 CD1 LEU A 21 -2.998 -8.911 -1.555 1.00 0.00 C ATOM 308 CD2 LEU A 21 -2.997 -8.451 0.916 1.00 0.00 C ATOM 0 H LEU A 21 -1.539 -5.335 -1.134 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.749 -6.665 1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.818 -7.486 -1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.559 -8.563 -0.236 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.137 -6.978 -0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.070 -9.101 -1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.748 -8.497 -2.532 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.457 -9.846 -1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.073 -8.623 0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.474 -9.388 1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.723 -7.722 1.679 1.00 0.00 H new ATOM 320 N TYR A 22 1.774 -7.097 0.693 1.00 0.00 N ATOM 321 CA TYR A 22 3.184 -7.221 0.328 1.00 0.00 C ATOM 322 C TYR A 22 3.675 -8.640 0.613 1.00 0.00 C ATOM 323 O TYR A 22 3.025 -9.374 1.355 1.00 0.00 O ATOM 324 CB TYR A 22 4.051 -6.165 1.031 1.00 0.00 C ATOM 325 CG TYR A 22 4.252 -6.302 2.530 1.00 0.00 C ATOM 326 CD1 TYR A 22 5.226 -7.185 3.032 1.00 0.00 C ATOM 327 CD2 TYR A 22 3.575 -5.446 3.419 1.00 0.00 C ATOM 328 CE1 TYR A 22 5.513 -7.238 4.406 1.00 0.00 C ATOM 329 CE2 TYR A 22 3.879 -5.473 4.792 1.00 0.00 C ATOM 330 CZ TYR A 22 4.834 -6.382 5.297 1.00 0.00 C ATOM 331 OH TYR A 22 5.123 -6.420 6.625 1.00 0.00 O ATOM 0 H TYR A 22 1.498 -7.687 1.478 1.00 0.00 H new ATOM 0 HA TYR A 22 3.279 -7.034 -0.742 1.00 0.00 H new ATOM 0 HB2 TYR A 22 5.033 -6.169 0.559 1.00 0.00 H new ATOM 0 HB3 TYR A 22 3.610 -5.187 0.840 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.760 -7.831 2.351 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.821 -4.768 3.046 1.00 0.00 H new ATOM 0 HE1 TYR A 22 6.252 -7.932 4.779 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.378 -4.793 5.465 1.00 0.00 H new ATOM 0 HH TYR A 22 4.568 -5.767 7.099 1.00 0.00 H new ATOM 341 N LYS A 23 4.812 -9.034 0.029 1.00 0.00 N ATOM 342 CA LYS A 23 5.527 -10.263 0.353 1.00 0.00 C ATOM 343 C LYS A 23 6.718 -9.900 1.226 1.00 0.00 C ATOM 344 O LYS A 23 7.431 -8.934 0.941 1.00 0.00 O ATOM 345 CB LYS A 23 6.044 -10.989 -0.902 1.00 0.00 C ATOM 346 CG LYS A 23 5.997 -12.507 -0.660 1.00 0.00 C ATOM 347 CD LYS A 23 7.122 -13.287 -1.348 1.00 0.00 C ATOM 348 CE LYS A 23 6.802 -13.568 -2.808 1.00 0.00 C ATOM 349 NZ LYS A 23 7.949 -14.112 -3.556 1.00 0.00 N ATOM 0 H LYS A 23 5.269 -8.488 -0.702 1.00 0.00 H new ATOM 0 HA LYS A 23 4.835 -10.934 0.863 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.434 -10.727 -1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.064 -10.675 -1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.043 -12.694 0.413 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.038 -12.890 -1.009 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.051 -12.720 -1.282 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.285 -14.229 -0.824 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.973 -14.273 -2.863 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.469 -12.646 -3.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.670 -14.283 -4.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.734 -13.431 -3.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.253 -15.007 -3.122 1.00 0.00 H new ATOM 363 N ASP A 24 6.928 -10.642 2.298 1.00 0.00 N ATOM 364 CA ASP A 24 7.978 -10.386 3.272 1.00 0.00 C ATOM 365 C ASP A 24 9.268 -11.156 2.897 1.00 0.00 C ATOM 366 O ASP A 24 9.278 -11.924 1.921 1.00 0.00 O ATOM 367 CB ASP A 24 7.388 -10.632 4.676 1.00 0.00 C ATOM 368 CG ASP A 24 7.442 -12.062 5.205 1.00 0.00 C ATOM 369 OD1 ASP A 24 7.942 -12.962 4.500 1.00 0.00 O ATOM 370 OD2 ASP A 24 6.972 -12.268 6.343 1.00 0.00 O ATOM 0 H ASP A 24 6.361 -11.459 2.523 1.00 0.00 H new ATOM 0 HA ASP A 24 8.315 -9.350 3.274 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.913 -9.989 5.382 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.346 -10.312 4.667 1.00 0.00 H new ATOM 375 N PRO A 25 10.393 -10.955 3.616 1.00 0.00 N ATOM 376 CA PRO A 25 11.659 -11.603 3.302 1.00 0.00 C ATOM 377 C PRO A 25 11.698 -13.070 3.753 1.00 0.00 C ATOM 378 O PRO A 25 12.644 -13.780 3.402 1.00 0.00 O ATOM 379 CB PRO A 25 12.727 -10.760 4.001 1.00 0.00 C ATOM 380 CG PRO A 25 12.007 -10.229 5.233 1.00 0.00 C ATOM 381 CD PRO A 25 10.560 -10.083 4.768 1.00 0.00 C ATOM 0 HA PRO A 25 11.821 -11.648 2.225 1.00 0.00 H new ATOM 0 HB2 PRO A 25 13.598 -11.358 4.271 1.00 0.00 H new ATOM 0 HB3 PRO A 25 13.081 -9.951 3.363 1.00 0.00 H new ATOM 0 HG2 PRO A 25 12.090 -10.917 6.074 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.421 -9.275 5.560 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.869 -10.360 5.564 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.343 -9.048 4.503 1.00 0.00 H new ATOM 389 N GLN A 26 10.693 -13.551 4.484 1.00 0.00 N ATOM 390 CA GLN A 26 10.456 -14.959 4.771 1.00 0.00 C ATOM 391 C GLN A 26 9.628 -15.603 3.639 1.00 0.00 C ATOM 392 O GLN A 26 9.606 -16.829 3.516 1.00 0.00 O ATOM 393 CB GLN A 26 9.791 -15.058 6.160 1.00 0.00 C ATOM 394 CG GLN A 26 10.815 -15.000 7.309 1.00 0.00 C ATOM 395 CD GLN A 26 11.475 -13.629 7.509 1.00 0.00 C ATOM 396 OE1 GLN A 26 10.880 -12.693 8.039 1.00 0.00 O ATOM 397 NE2 GLN A 26 12.727 -13.461 7.114 1.00 0.00 N ATOM 0 H GLN A 26 9.994 -12.942 4.909 1.00 0.00 H new ATOM 0 HA GLN A 26 11.389 -15.522 4.806 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.074 -14.245 6.275 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.229 -15.990 6.225 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.318 -15.288 8.236 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.594 -15.739 7.122 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.230 -14.231 6.673 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.189 -12.562 7.251 1.00 0.00 H new ATOM 406 N GLY A 27 9.031 -14.796 2.760 1.00 0.00 N ATOM 407 CA GLY A 27 8.230 -15.149 1.595 1.00 0.00 C ATOM 408 C GLY A 27 6.745 -15.313 1.908 1.00 0.00 C ATOM 409 O GLY A 27 5.991 -15.785 1.051 1.00 0.00 O ATOM 0 H GLY A 27 9.106 -13.784 2.859 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.350 -14.378 0.833 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.609 -16.079 1.171 1.00 0.00 H new ATOM 413 N LEU A 28 6.309 -14.934 3.109 1.00 0.00 N ATOM 414 CA LEU A 28 4.901 -14.896 3.469 1.00 0.00 C ATOM 415 C LEU A 28 4.299 -13.685 2.768 1.00 0.00 C ATOM 416 O LEU A 28 4.914 -12.615 2.738 1.00 0.00 O ATOM 417 CB LEU A 28 4.722 -14.763 4.992 1.00 0.00 C ATOM 418 CG LEU A 28 4.990 -16.009 5.850 1.00 0.00 C ATOM 419 CD1 LEU A 28 4.149 -17.218 5.431 1.00 0.00 C ATOM 420 CD2 LEU A 28 6.479 -16.349 5.877 1.00 0.00 C ATOM 0 H LEU A 28 6.932 -14.643 3.862 1.00 0.00 H new ATOM 0 HA LEU A 28 4.408 -15.819 3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.381 -13.967 5.340 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.700 -14.437 5.183 1.00 0.00 H new ATOM 0 HG LEU A 28 4.677 -15.759 6.864 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.384 -18.066 6.075 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.091 -16.975 5.524 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.373 -17.476 4.396 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.639 -17.235 6.492 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.826 -16.544 4.862 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.036 -15.511 6.296 1.00 0.00 H new ATOM 432 N VAL A 29 3.103 -13.833 2.204 1.00 0.00 N ATOM 433 CA VAL A 29 2.285 -12.673 1.890 1.00 0.00 C ATOM 434 C VAL A 29 1.786 -12.138 3.237 1.00 0.00 C ATOM 435 O VAL A 29 1.551 -12.905 4.171 1.00 0.00 O ATOM 436 CB VAL A 29 1.161 -13.048 0.899 1.00 0.00 C ATOM 437 CG1 VAL A 29 0.255 -11.849 0.568 1.00 0.00 C ATOM 438 CG2 VAL A 29 1.764 -13.571 -0.419 1.00 0.00 C ATOM 0 H VAL A 29 2.687 -14.731 1.959 1.00 0.00 H new ATOM 0 HA VAL A 29 2.841 -11.889 1.376 1.00 0.00 H new ATOM 0 HB VAL A 29 0.562 -13.819 1.384 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.520 -12.161 -0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.209 -11.480 1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.852 -11.055 0.119 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.961 -13.832 -1.108 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.389 -12.797 -0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.370 -14.454 -0.217 1.00 0.00 H new ATOM 448 N GLN A 30 1.659 -10.821 3.348 1.00 0.00 N ATOM 449 CA GLN A 30 1.236 -10.124 4.547 1.00 0.00 C ATOM 450 C GLN A 30 0.123 -9.156 4.170 1.00 0.00 C ATOM 451 O GLN A 30 0.036 -8.702 3.018 1.00 0.00 O ATOM 452 CB GLN A 30 2.421 -9.334 5.134 1.00 0.00 C ATOM 453 CG GLN A 30 3.622 -10.185 5.568 1.00 0.00 C ATOM 454 CD GLN A 30 3.314 -11.128 6.727 1.00 0.00 C ATOM 455 OE1 GLN A 30 2.324 -10.966 7.448 1.00 0.00 O ATOM 456 NE2 GLN A 30 4.185 -12.091 6.965 1.00 0.00 N ATOM 0 H GLN A 30 1.857 -10.189 2.572 1.00 0.00 H new ATOM 0 HA GLN A 30 0.883 -10.839 5.290 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.758 -8.610 4.392 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.068 -8.767 5.995 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.969 -10.770 4.716 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.440 -9.524 5.855 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.996 -12.207 6.357 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.047 -12.719 7.757 1.00 0.00 H new ATOM 465 N GLY A 31 -0.654 -8.751 5.172 1.00 0.00 N ATOM 466 CA GLY A 31 -1.572 -7.642 5.044 1.00 0.00 C ATOM 467 C GLY A 31 -3.006 -8.092 4.773 1.00 0.00 C ATOM 468 O GLY A 31 -3.367 -9.234 5.062 1.00 0.00 O ATOM 0 H GLY A 31 -0.658 -9.189 6.093 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.548 -7.049 5.958 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.240 -6.993 4.234 1.00 0.00 H new ATOM 472 N PRO A 32 -3.843 -7.206 4.216 1.00 0.00 N ATOM 473 CA PRO A 32 -3.440 -5.919 3.667 1.00 0.00 C ATOM 474 C PRO A 32 -3.114 -4.876 4.742 1.00 0.00 C ATOM 475 O PRO A 32 -3.351 -5.056 5.939 1.00 0.00 O ATOM 476 CB PRO A 32 -4.591 -5.516 2.753 1.00 0.00 C ATOM 477 CG PRO A 32 -5.812 -6.144 3.416 1.00 0.00 C ATOM 478 CD PRO A 32 -5.257 -7.453 3.972 1.00 0.00 C ATOM 0 HA PRO A 32 -2.501 -5.989 3.118 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.686 -4.432 2.682 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.448 -5.890 1.739 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.216 -5.509 4.204 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.617 -6.317 2.701 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.770 -7.737 4.891 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.396 -8.270 3.264 1.00 0.00 H new ATOM 486 N PHE A 33 -2.547 -3.767 4.281 1.00 0.00 N ATOM 487 CA PHE A 33 -2.175 -2.601 5.056 1.00 0.00 C ATOM 488 C PHE A 33 -2.652 -1.364 4.303 1.00 0.00 C ATOM 489 O PHE A 33 -3.006 -1.435 3.119 1.00 0.00 O ATOM 490 CB PHE A 33 -0.656 -2.566 5.242 1.00 0.00 C ATOM 491 CG PHE A 33 -0.095 -3.781 5.943 1.00 0.00 C ATOM 492 CD1 PHE A 33 -0.142 -3.863 7.345 1.00 0.00 C ATOM 493 CD2 PHE A 33 0.472 -4.830 5.198 1.00 0.00 C ATOM 494 CE1 PHE A 33 0.397 -4.985 8.001 1.00 0.00 C ATOM 495 CE2 PHE A 33 1.000 -5.948 5.856 1.00 0.00 C ATOM 496 CZ PHE A 33 0.973 -6.028 7.257 1.00 0.00 C ATOM 0 H PHE A 33 -2.323 -3.657 3.292 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.635 -2.633 6.044 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.183 -2.472 4.265 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.390 -1.675 5.812 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.591 -3.066 7.918 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.500 -4.774 4.120 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.368 -5.044 9.079 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.431 -6.754 5.281 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.393 -6.887 7.760 1.00 0.00 H new ATOM 506 N SER A 34 -2.674 -0.227 4.987 1.00 0.00 N ATOM 507 CA SER A 34 -3.012 1.060 4.409 1.00 0.00 C ATOM 508 C SER A 34 -1.752 1.837 4.038 1.00 0.00 C ATOM 509 O SER A 34 -0.702 1.641 4.651 1.00 0.00 O ATOM 510 CB SER A 34 -3.863 1.832 5.409 1.00 0.00 C ATOM 511 OG SER A 34 -3.372 1.740 6.734 1.00 0.00 O ATOM 0 H SER A 34 -2.452 -0.177 5.981 1.00 0.00 H new ATOM 0 HA SER A 34 -3.578 0.914 3.489 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.902 2.880 5.113 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.885 1.454 5.378 1.00 0.00 H new ATOM 0 HG SER A 34 -2.396 1.831 6.728 1.00 0.00 H new ATOM 517 N LEU A 35 -1.850 2.758 3.072 1.00 0.00 N ATOM 518 CA LEU A 35 -0.680 3.517 2.621 1.00 0.00 C ATOM 519 C LEU A 35 -0.136 4.440 3.703 1.00 0.00 C ATOM 520 O LEU A 35 1.050 4.766 3.667 1.00 0.00 O ATOM 521 CB LEU A 35 -0.962 4.360 1.371 1.00 0.00 C ATOM 522 CG LEU A 35 -1.380 3.526 0.154 1.00 0.00 C ATOM 523 CD1 LEU A 35 -1.746 4.461 -1.001 1.00 0.00 C ATOM 524 CD2 LEU A 35 -0.269 2.542 -0.236 1.00 0.00 C ATOM 0 H LEU A 35 -2.719 2.993 2.592 1.00 0.00 H new ATOM 0 HA LEU A 35 0.064 2.758 2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.750 5.079 1.597 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.070 4.933 1.120 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.258 2.931 0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.043 3.870 -1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.572 5.105 -0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.883 5.075 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.586 1.960 -1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.637 3.095 -0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.068 1.871 0.599 1.00 0.00 H new ATOM 536 N THR A 36 -0.960 4.866 4.659 1.00 0.00 N ATOM 537 CA THR A 36 -0.481 5.663 5.778 1.00 0.00 C ATOM 538 C THR A 36 0.444 4.795 6.648 1.00 0.00 C ATOM 539 O THR A 36 1.594 5.172 6.877 1.00 0.00 O ATOM 540 CB THR A 36 -1.685 6.232 6.548 1.00 0.00 C ATOM 541 OG1 THR A 36 -2.731 6.622 5.673 1.00 0.00 O ATOM 542 CG2 THR A 36 -1.309 7.458 7.367 1.00 0.00 C ATOM 0 H THR A 36 -1.961 4.671 4.678 1.00 0.00 H new ATOM 0 HA THR A 36 0.106 6.516 5.437 1.00 0.00 H new ATOM 0 HB THR A 36 -2.016 5.427 7.204 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.252 5.833 5.413 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.189 7.827 7.894 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.538 7.190 8.090 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.930 8.236 6.704 1.00 0.00 H new ATOM 550 N GLN A 37 -0.015 3.597 7.046 1.00 0.00 N ATOM 551 CA GLN A 37 0.783 2.636 7.807 1.00 0.00 C ATOM 552 C GLN A 37 2.073 2.294 7.063 1.00 0.00 C ATOM 553 O GLN A 37 3.161 2.334 7.638 1.00 0.00 O ATOM 554 CB GLN A 37 -0.033 1.360 8.108 1.00 0.00 C ATOM 555 CG GLN A 37 -1.121 1.640 9.152 1.00 0.00 C ATOM 556 CD GLN A 37 -1.786 0.349 9.616 1.00 0.00 C ATOM 557 OE1 GLN A 37 -1.327 -0.284 10.565 1.00 0.00 O ATOM 558 NE2 GLN A 37 -2.860 -0.074 8.976 1.00 0.00 N ATOM 0 H GLN A 37 -0.960 3.270 6.844 1.00 0.00 H new ATOM 0 HA GLN A 37 1.052 3.096 8.758 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.491 0.991 7.190 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.631 0.576 8.471 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.684 2.155 10.008 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.872 2.307 8.728 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.230 0.462 8.190 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.320 -0.936 9.267 1.00 0.00 H new ATOM 567 N LEU A 38 1.953 1.972 5.774 1.00 0.00 N ATOM 568 CA LEU A 38 3.080 1.560 4.954 1.00 0.00 C ATOM 569 C LEU A 38 4.096 2.687 4.795 1.00 0.00 C ATOM 570 O LEU A 38 5.290 2.409 4.867 1.00 0.00 O ATOM 571 CB LEU A 38 2.595 1.073 3.584 1.00 0.00 C ATOM 572 CG LEU A 38 1.791 -0.238 3.637 1.00 0.00 C ATOM 573 CD1 LEU A 38 0.983 -0.387 2.350 1.00 0.00 C ATOM 574 CD2 LEU A 38 2.694 -1.458 3.844 1.00 0.00 C ATOM 0 H LEU A 38 1.065 1.992 5.273 1.00 0.00 H new ATOM 0 HA LEU A 38 3.579 0.735 5.462 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.977 1.849 3.131 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.458 0.933 2.933 1.00 0.00 H new ATOM 0 HG LEU A 38 1.119 -0.189 4.493 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.412 -1.315 2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.299 0.456 2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.660 -0.409 1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.084 -2.361 3.875 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.405 -1.528 3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.236 -1.354 4.784 1.00 0.00 H new ATOM 586 N LYS A 39 3.666 3.941 4.599 1.00 0.00 N ATOM 587 CA LYS A 39 4.602 5.063 4.557 1.00 0.00 C ATOM 588 C LYS A 39 5.349 5.155 5.871 1.00 0.00 C ATOM 589 O LYS A 39 6.572 5.248 5.847 1.00 0.00 O ATOM 590 CB LYS A 39 3.917 6.401 4.234 1.00 0.00 C ATOM 591 CG LYS A 39 4.964 7.534 4.237 1.00 0.00 C ATOM 592 CD LYS A 39 4.635 8.741 3.341 1.00 0.00 C ATOM 593 CE LYS A 39 4.341 10.007 4.153 1.00 0.00 C ATOM 594 NZ LYS A 39 4.534 11.230 3.348 1.00 0.00 N ATOM 0 H LYS A 39 2.688 4.198 4.469 1.00 0.00 H new ATOM 0 HA LYS A 39 5.303 4.870 3.745 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.430 6.346 3.261 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.139 6.609 4.969 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.089 7.887 5.261 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.922 7.121 3.923 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.472 8.930 2.669 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.773 8.504 2.718 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.316 9.973 4.522 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.993 10.039 5.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.326 12.066 3.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.519 11.276 3.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.894 11.211 2.529 1.00 0.00 H new ATOM 608 N ALA A 40 4.631 5.127 6.995 1.00 0.00 N ATOM 609 CA ALA A 40 5.256 5.295 8.292 1.00 0.00 C ATOM 610 C ALA A 40 6.366 4.263 8.492 1.00 0.00 C ATOM 611 O ALA A 40 7.461 4.608 8.918 1.00 0.00 O ATOM 612 CB ALA A 40 4.207 5.159 9.395 1.00 0.00 C ATOM 0 H ALA A 40 3.621 4.990 7.025 1.00 0.00 H new ATOM 0 HA ALA A 40 5.699 6.290 8.340 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.683 5.286 10.367 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.440 5.922 9.264 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.749 4.171 9.342 1.00 0.00 H new ATOM 618 N TRP A 41 6.097 3.002 8.159 1.00 0.00 N ATOM 619 CA TRP A 41 7.075 1.929 8.260 1.00 0.00 C ATOM 620 C TRP A 41 8.193 2.022 7.221 1.00 0.00 C ATOM 621 O TRP A 41 9.316 1.618 7.516 1.00 0.00 O ATOM 622 CB TRP A 41 6.334 0.610 8.106 1.00 0.00 C ATOM 623 CG TRP A 41 5.516 0.150 9.270 1.00 0.00 C ATOM 624 CD1 TRP A 41 5.785 0.324 10.585 1.00 0.00 C ATOM 625 CD2 TRP A 41 4.301 -0.637 9.218 1.00 0.00 C ATOM 626 NE1 TRP A 41 4.901 -0.427 11.337 1.00 0.00 N ATOM 627 CE2 TRP A 41 3.960 -1.043 10.538 1.00 0.00 C ATOM 628 CE3 TRP A 41 3.469 -1.060 8.167 1.00 0.00 C ATOM 629 CZ2 TRP A 41 2.870 -1.890 10.789 1.00 0.00 C ATOM 630 CZ3 TRP A 41 2.344 -1.860 8.411 1.00 0.00 C ATOM 631 CH2 TRP A 41 2.049 -2.287 9.719 1.00 0.00 C ATOM 0 H TRP A 41 5.188 2.698 7.810 1.00 0.00 H new ATOM 0 HA TRP A 41 7.564 2.008 9.231 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.676 0.690 7.241 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.066 -0.165 7.879 1.00 0.00 H new ATOM 0 HD1 TRP A 41 6.568 0.952 10.984 1.00 0.00 H new ATOM 0 HE1 TRP A 41 4.940 -0.514 12.353 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.700 -0.764 7.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 2.664 -2.233 11.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.702 -2.150 7.593 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.192 -2.919 9.901 1.00 0.00 H new ATOM 642 N SER A 42 7.928 2.546 6.026 1.00 0.00 N ATOM 643 CA SER A 42 8.967 2.834 5.048 1.00 0.00 C ATOM 644 C SER A 42 9.919 3.889 5.618 1.00 0.00 C ATOM 645 O SER A 42 11.121 3.843 5.350 1.00 0.00 O ATOM 646 CB SER A 42 8.304 3.296 3.738 1.00 0.00 C ATOM 647 OG SER A 42 9.220 3.443 2.666 1.00 0.00 O ATOM 0 H SER A 42 6.987 2.782 5.712 1.00 0.00 H new ATOM 0 HA SER A 42 9.556 1.943 4.831 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.536 2.576 3.454 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.801 4.248 3.910 1.00 0.00 H new ATOM 0 HG SER A 42 8.740 3.736 1.863 1.00 0.00 H new ATOM 653 N ASP A 43 9.393 4.880 6.337 1.00 0.00 N ATOM 654 CA ASP A 43 10.142 6.025 6.842 1.00 0.00 C ATOM 655 C ASP A 43 10.923 5.641 8.098 1.00 0.00 C ATOM 656 O ASP A 43 12.123 5.892 8.180 1.00 0.00 O ATOM 657 CB ASP A 43 9.161 7.174 7.099 1.00 0.00 C ATOM 658 CG ASP A 43 9.845 8.509 7.378 1.00 0.00 C ATOM 659 OD1 ASP A 43 11.024 8.694 6.998 1.00 0.00 O ATOM 660 OD2 ASP A 43 9.145 9.411 7.901 1.00 0.00 O ATOM 0 H ASP A 43 8.405 4.907 6.590 1.00 0.00 H new ATOM 0 HA ASP A 43 10.877 6.353 6.106 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.508 7.284 6.233 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.526 6.916 7.947 1.00 0.00 H new ATOM 665 N ALA A 44 10.276 4.947 9.038 1.00 0.00 N ATOM 666 CA ALA A 44 10.878 4.334 10.223 1.00 0.00 C ATOM 667 C ALA A 44 11.707 3.074 9.900 1.00 0.00 C ATOM 668 O ALA A 44 12.160 2.392 10.818 1.00 0.00 O ATOM 669 CB ALA A 44 9.769 4.020 11.233 1.00 0.00 C ATOM 0 H ALA A 44 9.269 4.790 8.990 1.00 0.00 H new ATOM 0 HA ALA A 44 11.584 5.047 10.649 1.00 0.00 H new ATOM 0 HB1 ALA A 44 10.205 3.562 12.121 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.260 4.942 11.513 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.053 3.332 10.785 1.00 0.00 H new ATOM 675 N GLU A 45 11.908 2.775 8.614 1.00 0.00 N ATOM 676 CA GLU A 45 12.797 1.749 8.083 1.00 0.00 C ATOM 677 C GLU A 45 12.542 0.340 8.640 1.00 0.00 C ATOM 678 O GLU A 45 13.470 -0.409 8.940 1.00 0.00 O ATOM 679 CB GLU A 45 14.259 2.208 8.206 1.00 0.00 C ATOM 680 CG GLU A 45 14.558 3.433 7.330 1.00 0.00 C ATOM 681 CD GLU A 45 16.021 3.438 6.908 1.00 0.00 C ATOM 682 OE1 GLU A 45 16.886 3.893 7.690 1.00 0.00 O ATOM 683 OE2 GLU A 45 16.337 2.913 5.813 1.00 0.00 O ATOM 0 H GLU A 45 11.421 3.278 7.872 1.00 0.00 H new ATOM 0 HA GLU A 45 12.567 1.637 7.023 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.477 2.446 9.247 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.920 1.390 7.921 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.918 3.422 6.448 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.328 4.346 7.879 1.00 0.00 H new ATOM 690 N TYR A 46 11.274 -0.060 8.726 1.00 0.00 N ATOM 691 CA TYR A 46 10.891 -1.459 8.924 1.00 0.00 C ATOM 692 C TYR A 46 10.974 -2.270 7.626 1.00 0.00 C ATOM 693 O TYR A 46 10.885 -3.497 7.664 1.00 0.00 O ATOM 694 CB TYR A 46 9.460 -1.524 9.467 1.00 0.00 C ATOM 695 CG TYR A 46 9.378 -1.154 10.927 1.00 0.00 C ATOM 696 CD1 TYR A 46 9.216 0.188 11.310 1.00 0.00 C ATOM 697 CD2 TYR A 46 9.541 -2.154 11.901 1.00 0.00 C ATOM 698 CE1 TYR A 46 9.262 0.541 12.671 1.00 0.00 C ATOM 699 CE2 TYR A 46 9.546 -1.818 13.261 1.00 0.00 C ATOM 700 CZ TYR A 46 9.448 -0.465 13.645 1.00 0.00 C ATOM 701 OH TYR A 46 9.579 -0.153 14.961 1.00 0.00 O ATOM 0 H TYR A 46 10.481 0.578 8.660 1.00 0.00 H new ATOM 0 HA TYR A 46 11.592 -1.895 9.636 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.825 -0.852 8.889 1.00 0.00 H new ATOM 0 HB3 TYR A 46 9.068 -2.532 9.328 1.00 0.00 H new ATOM 0 HD1 TYR A 46 9.056 0.948 10.560 1.00 0.00 H new ATOM 0 HD2 TYR A 46 9.663 -3.184 11.600 1.00 0.00 H new ATOM 0 HE1 TYR A 46 9.156 1.574 12.969 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.624 -2.591 14.011 1.00 0.00 H new ATOM 0 HH TYR A 46 9.698 -0.975 15.482 1.00 0.00 H new ATOM 711 N PHE A 47 11.098 -1.604 6.481 1.00 0.00 N ATOM 712 CA PHE A 47 10.946 -2.155 5.144 1.00 0.00 C ATOM 713 C PHE A 47 12.280 -2.032 4.414 1.00 0.00 C ATOM 714 O PHE A 47 13.328 -1.950 5.061 1.00 0.00 O ATOM 715 CB PHE A 47 9.767 -1.432 4.466 1.00 0.00 C ATOM 716 CG PHE A 47 8.379 -1.733 5.016 1.00 0.00 C ATOM 717 CD1 PHE A 47 8.097 -2.909 5.747 1.00 0.00 C ATOM 718 CD2 PHE A 47 7.325 -0.850 4.718 1.00 0.00 C ATOM 719 CE1 PHE A 47 6.790 -3.196 6.165 1.00 0.00 C ATOM 720 CE2 PHE A 47 6.015 -1.150 5.116 1.00 0.00 C ATOM 721 CZ PHE A 47 5.743 -2.325 5.837 1.00 0.00 C ATOM 0 H PHE A 47 11.320 -0.609 6.464 1.00 0.00 H new ATOM 0 HA PHE A 47 10.702 -3.217 5.143 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.938 -0.358 4.539 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.776 -1.684 3.406 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.897 -3.594 5.986 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.526 0.064 4.179 1.00 0.00 H new ATOM 0 HE1 PHE A 47 6.590 -4.088 6.740 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.210 -0.474 4.867 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.731 -2.556 6.137 1.00 0.00 H new ATOM 731 N THR A 48 12.289 -2.064 3.085 1.00 0.00 N ATOM 732 CA THR A 48 13.501 -2.139 2.284 1.00 0.00 C ATOM 733 C THR A 48 13.523 -0.986 1.288 1.00 0.00 C ATOM 734 O THR A 48 12.478 -0.451 0.911 1.00 0.00 O ATOM 735 CB THR A 48 13.547 -3.512 1.586 1.00 0.00 C ATOM 736 OG1 THR A 48 12.394 -3.700 0.784 1.00 0.00 O ATOM 737 CG2 THR A 48 13.628 -4.642 2.615 1.00 0.00 C ATOM 0 H THR A 48 11.436 -2.038 2.526 1.00 0.00 H new ATOM 0 HA THR A 48 14.389 -2.046 2.910 1.00 0.00 H new ATOM 0 HB THR A 48 14.437 -3.535 0.957 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.439 -4.576 0.346 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.659 -5.602 2.100 1.00 0.00 H new ATOM 0 HG22 THR A 48 14.530 -4.523 3.216 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.753 -4.607 3.264 1.00 0.00 H new ATOM 745 N LYS A 49 14.703 -0.653 0.760 1.00 0.00 N ATOM 746 CA LYS A 49 14.823 0.352 -0.295 1.00 0.00 C ATOM 747 C LYS A 49 14.222 -0.093 -1.639 1.00 0.00 C ATOM 748 O LYS A 49 14.366 0.618 -2.632 1.00 0.00 O ATOM 749 CB LYS A 49 16.297 0.740 -0.464 1.00 0.00 C ATOM 750 CG LYS A 49 16.394 2.242 -0.744 1.00 0.00 C ATOM 751 CD LYS A 49 17.616 2.543 -1.605 1.00 0.00 C ATOM 752 CE LYS A 49 17.750 4.032 -1.911 1.00 0.00 C ATOM 753 NZ LYS A 49 16.536 4.598 -2.532 1.00 0.00 N ATOM 0 H LYS A 49 15.590 -1.067 1.048 1.00 0.00 H new ATOM 0 HA LYS A 49 14.239 1.217 0.019 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.857 0.489 0.437 1.00 0.00 H new ATOM 0 HB3 LYS A 49 16.742 0.176 -1.283 1.00 0.00 H new ATOM 0 HG2 LYS A 49 15.491 2.583 -1.250 1.00 0.00 H new ATOM 0 HG3 LYS A 49 16.459 2.790 0.196 1.00 0.00 H new ATOM 0 HD2 LYS A 49 18.514 2.196 -1.093 1.00 0.00 H new ATOM 0 HD3 LYS A 49 17.547 1.986 -2.539 1.00 0.00 H new ATOM 0 HE2 LYS A 49 17.966 4.570 -0.988 1.00 0.00 H new ATOM 0 HE3 LYS A 49 18.599 4.187 -2.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 16.741 5.554 -2.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 16.235 3.992 -3.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 15.775 4.648 -1.825 1.00 0.00 H new ATOM 767 N GLN A 50 13.626 -1.283 -1.713 1.00 0.00 N ATOM 768 CA GLN A 50 13.082 -1.904 -2.916 1.00 0.00 C ATOM 769 C GLN A 50 11.715 -2.507 -2.573 1.00 0.00 C ATOM 770 O GLN A 50 11.334 -3.551 -3.097 1.00 0.00 O ATOM 771 CB GLN A 50 14.080 -2.956 -3.444 1.00 0.00 C ATOM 772 CG GLN A 50 15.369 -2.317 -3.985 1.00 0.00 C ATOM 773 CD GLN A 50 16.427 -3.337 -4.405 1.00 0.00 C ATOM 774 OE1 GLN A 50 16.200 -4.550 -4.469 1.00 0.00 O ATOM 775 NE2 GLN A 50 17.631 -2.867 -4.680 1.00 0.00 N ATOM 0 H GLN A 50 13.504 -1.870 -0.888 1.00 0.00 H new ATOM 0 HA GLN A 50 12.938 -1.173 -3.711 1.00 0.00 H new ATOM 0 HB2 GLN A 50 14.330 -3.651 -2.642 1.00 0.00 H new ATOM 0 HB3 GLN A 50 13.606 -3.538 -4.234 1.00 0.00 H new ATOM 0 HG2 GLN A 50 15.122 -1.689 -4.841 1.00 0.00 H new ATOM 0 HG3 GLN A 50 15.789 -1.663 -3.221 1.00 0.00 H new ATOM 0 HE21 GLN A 50 17.812 -1.865 -4.625 1.00 0.00 H new ATOM 0 HE22 GLN A 50 18.379 -3.507 -4.947 1.00 0.00 H new ATOM 784 N PHE A 51 10.989 -1.900 -1.630 1.00 0.00 N ATOM 785 CA PHE A 51 9.749 -2.448 -1.115 1.00 0.00 C ATOM 786 C PHE A 51 8.634 -2.154 -2.112 1.00 0.00 C ATOM 787 O PHE A 51 8.181 -1.012 -2.201 1.00 0.00 O ATOM 788 CB PHE A 51 9.455 -1.851 0.265 1.00 0.00 C ATOM 789 CG PHE A 51 8.479 -2.666 1.077 1.00 0.00 C ATOM 790 CD1 PHE A 51 8.953 -3.696 1.912 1.00 0.00 C ATOM 791 CD2 PHE A 51 7.104 -2.376 1.030 1.00 0.00 C ATOM 792 CE1 PHE A 51 8.060 -4.375 2.754 1.00 0.00 C ATOM 793 CE2 PHE A 51 6.212 -3.061 1.869 1.00 0.00 C ATOM 794 CZ PHE A 51 6.701 -4.037 2.750 1.00 0.00 C ATOM 0 H PHE A 51 11.253 -1.011 -1.206 1.00 0.00 H new ATOM 0 HA PHE A 51 9.826 -3.528 -0.993 1.00 0.00 H new ATOM 0 HB2 PHE A 51 10.389 -1.759 0.819 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.059 -0.843 0.139 1.00 0.00 H new ATOM 0 HD1 PHE A 51 10.000 -3.962 1.904 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.734 -1.625 0.347 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.420 -5.158 3.405 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.156 -2.838 1.837 1.00 0.00 H new ATOM 0 HZ PHE A 51 6.024 -4.532 3.431 1.00 0.00 H new ATOM 804 N ARG A 52 8.207 -3.130 -2.910 1.00 0.00 N ATOM 805 CA ARG A 52 6.994 -3.000 -3.707 1.00 0.00 C ATOM 806 C ARG A 52 5.783 -3.423 -2.875 1.00 0.00 C ATOM 807 O ARG A 52 5.939 -4.061 -1.827 1.00 0.00 O ATOM 808 CB ARG A 52 7.107 -3.837 -4.986 1.00 0.00 C ATOM 809 CG ARG A 52 8.138 -3.342 -6.006 1.00 0.00 C ATOM 810 CD ARG A 52 9.594 -3.526 -5.565 1.00 0.00 C ATOM 811 NE ARG A 52 10.524 -3.623 -6.702 1.00 0.00 N ATOM 812 CZ ARG A 52 10.790 -4.740 -7.391 1.00 0.00 C ATOM 813 NH1 ARG A 52 10.267 -5.909 -7.034 1.00 0.00 N ATOM 814 NH2 ARG A 52 11.596 -4.701 -8.443 1.00 0.00 N ATOM 0 H ARG A 52 8.687 -4.023 -3.021 1.00 0.00 H new ATOM 0 HA ARG A 52 6.864 -1.958 -4.000 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.358 -4.861 -4.709 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.130 -3.867 -5.468 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.985 -3.871 -6.947 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.960 -2.285 -6.202 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.886 -2.688 -4.932 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.674 -4.427 -4.957 1.00 0.00 H new ATOM 0 HE ARG A 52 11.005 -2.770 -6.988 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.651 -5.966 -6.223 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.481 -6.749 -7.571 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.017 -3.817 -8.731 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.796 -5.555 -8.965 1.00 0.00 H new ATOM 828 N VAL A 53 4.589 -3.092 -3.354 1.00 0.00 N ATOM 829 CA VAL A 53 3.288 -3.452 -2.801 1.00 0.00 C ATOM 830 C VAL A 53 2.344 -3.713 -3.970 1.00 0.00 C ATOM 831 O VAL A 53 2.557 -3.156 -5.048 1.00 0.00 O ATOM 832 CB VAL A 53 2.751 -2.317 -1.898 1.00 0.00 C ATOM 833 CG1 VAL A 53 3.571 -2.218 -0.608 1.00 0.00 C ATOM 834 CG2 VAL A 53 2.732 -0.929 -2.568 1.00 0.00 C ATOM 0 H VAL A 53 4.498 -2.526 -4.198 1.00 0.00 H new ATOM 0 HA VAL A 53 3.370 -4.345 -2.181 1.00 0.00 H new ATOM 0 HB VAL A 53 1.717 -2.592 -1.688 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.177 -1.414 0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.508 -3.160 -0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.612 -2.010 -0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.342 -0.192 -1.866 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.745 -0.652 -2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.096 -0.961 -3.452 1.00 0.00 H new ATOM 844 N TRP A 54 1.302 -4.519 -3.772 1.00 0.00 N ATOM 845 CA TRP A 54 0.250 -4.705 -4.767 1.00 0.00 C ATOM 846 C TRP A 54 -1.105 -4.628 -4.084 1.00 0.00 C ATOM 847 O TRP A 54 -1.212 -4.847 -2.876 1.00 0.00 O ATOM 848 CB TRP A 54 0.438 -6.015 -5.548 1.00 0.00 C ATOM 849 CG TRP A 54 0.332 -7.304 -4.792 1.00 0.00 C ATOM 850 CD1 TRP A 54 -0.730 -8.138 -4.805 1.00 0.00 C ATOM 851 CD2 TRP A 54 1.339 -7.959 -3.971 1.00 0.00 C ATOM 852 NE1 TRP A 54 -0.449 -9.262 -4.053 1.00 0.00 N ATOM 853 CE2 TRP A 54 0.796 -9.180 -3.474 1.00 0.00 C ATOM 854 CE3 TRP A 54 2.667 -7.655 -3.607 1.00 0.00 C ATOM 855 CZ2 TRP A 54 1.512 -10.015 -2.605 1.00 0.00 C ATOM 856 CZ3 TRP A 54 3.408 -8.517 -2.782 1.00 0.00 C ATOM 857 CH2 TRP A 54 2.819 -9.678 -2.254 1.00 0.00 C ATOM 0 H TRP A 54 1.164 -5.060 -2.918 1.00 0.00 H new ATOM 0 HA TRP A 54 0.308 -3.905 -5.505 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.301 -6.036 -6.349 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.420 -5.984 -6.021 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -1.659 -7.954 -5.325 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.084 -10.052 -3.941 1.00 0.00 H new ATOM 0 HE3 TRP A 54 3.122 -6.745 -3.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 1.056 -10.911 -2.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 4.438 -8.286 -2.552 1.00 0.00 H new ATOM 0 HH2 TRP A 54 3.377 -10.308 -1.578 1.00 0.00 H new ATOM 868 N MET A 55 -2.137 -4.285 -4.840 1.00 0.00 N ATOM 869 CA MET A 55 -3.487 -4.154 -4.324 1.00 0.00 C ATOM 870 C MET A 55 -4.101 -5.521 -4.029 1.00 0.00 C ATOM 871 O MET A 55 -3.703 -6.559 -4.566 1.00 0.00 O ATOM 872 CB MET A 55 -4.336 -3.371 -5.329 1.00 0.00 C ATOM 873 CG MET A 55 -4.127 -1.863 -5.245 1.00 0.00 C ATOM 874 SD MET A 55 -5.258 -1.010 -6.369 1.00 0.00 S ATOM 875 CE MET A 55 -4.384 0.558 -6.587 1.00 0.00 C ATOM 0 H MET A 55 -2.058 -4.088 -5.838 1.00 0.00 H new ATOM 0 HA MET A 55 -3.457 -3.608 -3.381 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.097 -3.709 -6.338 1.00 0.00 H new ATOM 0 HB3 MET A 55 -5.389 -3.596 -5.158 1.00 0.00 H new ATOM 0 HG2 MET A 55 -4.293 -1.522 -4.223 1.00 0.00 H new ATOM 0 HG3 MET A 55 -3.096 -1.617 -5.499 1.00 0.00 H new ATOM 0 HE1 MET A 55 -4.809 1.097 -7.434 1.00 0.00 H new ATOM 0 HE2 MET A 55 -4.487 1.160 -5.684 1.00 0.00 H new ATOM 0 HE3 MET A 55 -3.328 0.363 -6.775 1.00 0.00 H new ATOM 885 N THR A 56 -5.117 -5.509 -3.174 1.00 0.00 N ATOM 886 CA THR A 56 -5.889 -6.664 -2.755 1.00 0.00 C ATOM 887 C THR A 56 -6.632 -7.285 -3.949 1.00 0.00 C ATOM 888 O THR A 56 -7.660 -6.777 -4.409 1.00 0.00 O ATOM 889 CB THR A 56 -6.807 -6.224 -1.603 1.00 0.00 C ATOM 890 OG1 THR A 56 -7.422 -4.979 -1.892 1.00 0.00 O ATOM 891 CG2 THR A 56 -6.014 -6.032 -0.316 1.00 0.00 C ATOM 0 H THR A 56 -5.438 -4.647 -2.734 1.00 0.00 H new ATOM 0 HA THR A 56 -5.245 -7.461 -2.384 1.00 0.00 H new ATOM 0 HB THR A 56 -7.555 -7.008 -1.484 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.695 -4.547 -1.056 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.687 -5.721 0.483 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.534 -6.971 -0.041 1.00 0.00 H new ATOM 0 HG23 THR A 56 -5.253 -5.266 -0.468 1.00 0.00 H new ATOM 899 N GLY A 57 -6.100 -8.380 -4.492 1.00 0.00 N ATOM 900 CA GLY A 57 -6.661 -9.051 -5.655 1.00 0.00 C ATOM 901 C GLY A 57 -6.010 -8.597 -6.957 1.00 0.00 C ATOM 902 O GLY A 57 -6.575 -8.852 -8.019 1.00 0.00 O ATOM 0 H GLY A 57 -5.258 -8.828 -4.130 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.536 -10.128 -5.545 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.733 -8.858 -5.701 1.00 0.00 H new ATOM 906 N GLU A 58 -4.871 -7.904 -6.912 1.00 0.00 N ATOM 907 CA GLU A 58 -4.000 -7.738 -8.070 1.00 0.00 C ATOM 908 C GLU A 58 -2.908 -8.810 -8.052 1.00 0.00 C ATOM 909 O GLU A 58 -2.774 -9.563 -7.079 1.00 0.00 O ATOM 910 CB GLU A 58 -3.416 -6.319 -8.091 1.00 0.00 C ATOM 911 CG GLU A 58 -4.451 -5.311 -8.613 1.00 0.00 C ATOM 912 CD GLU A 58 -3.773 -4.246 -9.471 1.00 0.00 C ATOM 913 OE1 GLU A 58 -3.593 -4.513 -10.683 1.00 0.00 O ATOM 914 OE2 GLU A 58 -3.383 -3.172 -8.953 1.00 0.00 O ATOM 0 H GLU A 58 -4.529 -7.443 -6.069 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.575 -7.866 -8.987 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.100 -6.036 -7.087 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.528 -6.296 -8.723 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.210 -5.830 -9.199 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.963 -4.839 -7.774 1.00 0.00 H new ATOM 921 N SER A 59 -2.149 -8.911 -9.143 1.00 0.00 N ATOM 922 CA SER A 59 -1.010 -9.803 -9.241 1.00 0.00 C ATOM 923 C SER A 59 0.153 -9.218 -8.445 1.00 0.00 C ATOM 924 O SER A 59 0.410 -8.014 -8.480 1.00 0.00 O ATOM 925 CB SER A 59 -0.628 -9.962 -10.719 1.00 0.00 C ATOM 926 OG SER A 59 0.418 -10.894 -10.884 1.00 0.00 O ATOM 0 H SER A 59 -2.315 -8.367 -9.989 1.00 0.00 H new ATOM 0 HA SER A 59 -1.257 -10.783 -8.832 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.499 -10.286 -11.288 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.324 -8.997 -11.123 1.00 0.00 H new ATOM 0 HG SER A 59 0.530 -11.095 -11.837 1.00 0.00 H new ATOM 932 N MET A 60 0.930 -10.096 -7.814 1.00 0.00 N ATOM 933 CA MET A 60 2.201 -9.734 -7.203 1.00 0.00 C ATOM 934 C MET A 60 3.185 -9.229 -8.260 1.00 0.00 C ATOM 935 O MET A 60 4.009 -8.352 -8.003 1.00 0.00 O ATOM 936 CB MET A 60 2.770 -10.971 -6.511 1.00 0.00 C ATOM 937 CG MET A 60 4.035 -10.614 -5.735 1.00 0.00 C ATOM 938 SD MET A 60 4.887 -12.048 -5.044 1.00 0.00 S ATOM 939 CE MET A 60 3.756 -12.528 -3.715 1.00 0.00 C ATOM 0 H MET A 60 0.692 -11.083 -7.713 1.00 0.00 H new ATOM 0 HA MET A 60 2.044 -8.933 -6.480 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.026 -11.390 -5.833 1.00 0.00 H new ATOM 0 HB3 MET A 60 2.995 -11.738 -7.252 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.718 -10.079 -6.395 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.775 -9.932 -4.926 1.00 0.00 H new ATOM 0 HE1 MET A 60 3.763 -13.612 -3.605 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.076 -12.066 -2.781 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.747 -12.195 -3.958 1.00 0.00 H new ATOM 949 N GLU A 61 3.111 -9.757 -9.477 1.00 0.00 N ATOM 950 CA GLU A 61 3.918 -9.255 -10.578 1.00 0.00 C ATOM 951 C GLU A 61 3.541 -7.809 -10.910 1.00 0.00 C ATOM 952 O GLU A 61 4.426 -7.038 -11.283 1.00 0.00 O ATOM 953 CB GLU A 61 3.772 -10.156 -11.796 1.00 0.00 C ATOM 954 CG GLU A 61 4.665 -11.391 -11.671 1.00 0.00 C ATOM 955 CD GLU A 61 4.354 -12.357 -12.804 1.00 0.00 C ATOM 956 OE1 GLU A 61 4.633 -12.032 -13.982 1.00 0.00 O ATOM 957 OE2 GLU A 61 3.712 -13.396 -12.546 1.00 0.00 O ATOM 0 H GLU A 61 2.498 -10.534 -9.724 1.00 0.00 H new ATOM 0 HA GLU A 61 4.965 -9.264 -10.274 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.732 -10.464 -11.903 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.035 -9.602 -12.697 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.715 -11.099 -11.705 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.500 -11.876 -10.709 1.00 0.00 H new ATOM 964 N SER A 62 2.291 -7.396 -10.686 1.00 0.00 N ATOM 965 CA SER A 62 1.861 -6.011 -10.842 1.00 0.00 C ATOM 966 C SER A 62 2.215 -5.147 -9.620 1.00 0.00 C ATOM 967 O SER A 62 1.722 -4.024 -9.517 1.00 0.00 O ATOM 968 CB SER A 62 0.360 -5.963 -11.162 1.00 0.00 C ATOM 969 OG SER A 62 0.012 -4.707 -11.724 1.00 0.00 O ATOM 0 H SER A 62 1.544 -8.023 -10.388 1.00 0.00 H new ATOM 0 HA SER A 62 2.408 -5.580 -11.680 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.105 -6.763 -11.857 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.217 -6.134 -10.253 1.00 0.00 H new ATOM 0 HG SER A 62 0.466 -3.991 -11.232 1.00 0.00 H new ATOM 975 N ALA A 63 3.025 -5.648 -8.677 1.00 0.00 N ATOM 976 CA ALA A 63 3.447 -4.869 -7.528 1.00 0.00 C ATOM 977 C ALA A 63 4.259 -3.654 -7.978 1.00 0.00 C ATOM 978 O ALA A 63 5.305 -3.776 -8.630 1.00 0.00 O ATOM 979 CB ALA A 63 4.222 -5.729 -6.521 1.00 0.00 C ATOM 0 H ALA A 63 3.398 -6.597 -8.698 1.00 0.00 H new ATOM 0 HA ALA A 63 2.556 -4.507 -7.014 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.523 -5.114 -5.673 1.00 0.00 H new ATOM 0 HB2 ALA A 63 3.586 -6.542 -6.172 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.108 -6.143 -7.002 1.00 0.00 H new ATOM 985 N VAL A 64 3.794 -2.483 -7.573 1.00 0.00 N ATOM 986 CA VAL A 64 4.402 -1.201 -7.872 1.00 0.00 C ATOM 987 C VAL A 64 5.286 -0.820 -6.683 1.00 0.00 C ATOM 988 O VAL A 64 5.185 -1.414 -5.605 1.00 0.00 O ATOM 989 CB VAL A 64 3.308 -0.157 -8.166 1.00 0.00 C ATOM 990 CG1 VAL A 64 2.501 -0.538 -9.417 1.00 0.00 C ATOM 991 CG2 VAL A 64 2.353 0.027 -6.981 1.00 0.00 C ATOM 0 H VAL A 64 2.951 -2.399 -7.006 1.00 0.00 H new ATOM 0 HA VAL A 64 5.024 -1.249 -8.766 1.00 0.00 H new ATOM 0 HB VAL A 64 3.822 0.788 -8.342 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.736 0.217 -9.600 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.168 -0.595 -10.277 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.025 -1.506 -9.262 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.599 0.772 -7.234 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.865 -0.921 -6.756 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.915 0.361 -6.109 1.00 0.00 H new ATOM 1001 N LEU A 65 6.189 0.147 -6.844 1.00 0.00 N ATOM 1002 CA LEU A 65 7.035 0.586 -5.759 1.00 0.00 C ATOM 1003 C LEU A 65 6.140 1.229 -4.715 1.00 0.00 C ATOM 1004 O LEU A 65 5.371 2.139 -5.027 1.00 0.00 O ATOM 1005 CB LEU A 65 8.020 1.653 -6.232 1.00 0.00 C ATOM 1006 CG LEU A 65 9.174 1.191 -7.124 1.00 0.00 C ATOM 1007 CD1 LEU A 65 9.942 2.442 -7.561 1.00 0.00 C ATOM 1008 CD2 LEU A 65 10.123 0.242 -6.388 1.00 0.00 C ATOM 0 H LEU A 65 6.346 0.637 -7.725 1.00 0.00 H new ATOM 0 HA LEU A 65 7.589 -0.268 -5.369 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.459 2.415 -6.773 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.445 2.135 -5.352 1.00 0.00 H new ATOM 0 HG LEU A 65 8.772 0.645 -7.977 1.00 0.00 H new ATOM 0 HD11 LEU A 65 10.776 2.152 -8.201 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.275 3.105 -8.112 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.323 2.961 -6.681 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.927 -0.061 -7.059 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.546 0.750 -5.521 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.573 -0.640 -6.059 1.00 0.00 H new ATOM 1020 N LEU A 66 6.337 0.856 -3.455 1.00 0.00 N ATOM 1021 CA LEU A 66 5.795 1.623 -2.342 1.00 0.00 C ATOM 1022 C LEU A 66 6.266 3.071 -2.443 1.00 0.00 C ATOM 1023 O LEU A 66 5.469 3.974 -2.220 1.00 0.00 O ATOM 1024 CB LEU A 66 6.186 0.998 -0.991 1.00 0.00 C ATOM 1025 CG LEU A 66 5.615 1.744 0.230 1.00 0.00 C ATOM 1026 CD1 LEU A 66 4.089 1.880 0.177 1.00 0.00 C ATOM 1027 CD2 LEU A 66 6.012 1.016 1.516 1.00 0.00 C ATOM 0 H LEU A 66 6.867 0.029 -3.180 1.00 0.00 H new ATOM 0 HA LEU A 66 4.707 1.604 -2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.841 -0.036 -0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.273 0.974 -0.914 1.00 0.00 H new ATOM 0 HG LEU A 66 6.036 2.749 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.740 2.413 1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.804 2.435 -0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.636 0.889 0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.605 1.548 2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.615 0.001 1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.099 0.979 1.593 1.00 0.00 H new ATOM 1039 N THR A 67 7.519 3.312 -2.844 1.00 0.00 N ATOM 1040 CA THR A 67 8.042 4.668 -2.932 1.00 0.00 C ATOM 1041 C THR A 67 7.373 5.456 -4.074 1.00 0.00 C ATOM 1042 O THR A 67 7.314 6.686 -4.006 1.00 0.00 O ATOM 1043 CB THR A 67 9.580 4.680 -2.871 1.00 0.00 C ATOM 1044 OG1 THR A 67 10.124 5.916 -2.456 1.00 0.00 O ATOM 1045 CG2 THR A 67 10.175 4.333 -4.204 1.00 0.00 C ATOM 0 H THR A 67 8.183 2.585 -3.110 1.00 0.00 H new ATOM 0 HA THR A 67 7.758 5.237 -2.047 1.00 0.00 H new ATOM 0 HB THR A 67 9.837 3.930 -2.123 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.102 5.853 -2.438 1.00 0.00 H new ATOM 0 HG21 THR A 67 11.263 4.349 -4.132 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.845 3.337 -4.501 1.00 0.00 H new ATOM 0 HG23 THR A 67 9.850 5.060 -4.948 1.00 0.00 H new ATOM 1053 N ASP A 68 6.819 4.785 -5.096 1.00 0.00 N ATOM 1054 CA ASP A 68 6.030 5.471 -6.120 1.00 0.00 C ATOM 1055 C ASP A 68 4.682 5.851 -5.528 1.00 0.00 C ATOM 1056 O ASP A 68 4.311 7.020 -5.506 1.00 0.00 O ATOM 1057 CB ASP A 68 5.796 4.630 -7.385 1.00 0.00 C ATOM 1058 CG ASP A 68 5.145 5.487 -8.475 1.00 0.00 C ATOM 1059 OD1 ASP A 68 5.486 6.689 -8.578 1.00 0.00 O ATOM 1060 OD2 ASP A 68 4.310 4.962 -9.235 1.00 0.00 O ATOM 0 H ASP A 68 6.904 3.778 -5.231 1.00 0.00 H new ATOM 0 HA ASP A 68 6.602 6.348 -6.424 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.744 4.229 -7.745 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.157 3.778 -7.152 1.00 0.00 H new ATOM 1065 N VAL A 69 3.969 4.869 -4.975 1.00 0.00 N ATOM 1066 CA VAL A 69 2.645 5.040 -4.391 1.00 0.00 C ATOM 1067 C VAL A 69 2.661 6.102 -3.278 1.00 0.00 C ATOM 1068 O VAL A 69 1.709 6.869 -3.145 1.00 0.00 O ATOM 1069 CB VAL A 69 2.152 3.664 -3.911 1.00 0.00 C ATOM 1070 CG1 VAL A 69 0.811 3.776 -3.194 1.00 0.00 C ATOM 1071 CG2 VAL A 69 1.965 2.712 -5.097 1.00 0.00 C ATOM 0 H VAL A 69 4.308 3.909 -4.921 1.00 0.00 H new ATOM 0 HA VAL A 69 1.943 5.417 -5.135 1.00 0.00 H new ATOM 0 HB VAL A 69 2.908 3.279 -3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.490 2.787 -2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.915 4.429 -2.327 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.068 4.192 -3.874 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.616 1.745 -4.736 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.230 3.129 -5.786 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.916 2.584 -5.615 1.00 0.00 H new ATOM 1081 N LEU A 70 3.757 6.209 -2.524 1.00 0.00 N ATOM 1082 CA LEU A 70 4.011 7.239 -1.515 1.00 0.00 C ATOM 1083 C LEU A 70 3.955 8.660 -2.082 1.00 0.00 C ATOM 1084 O LEU A 70 3.724 9.607 -1.329 1.00 0.00 O ATOM 1085 CB LEU A 70 5.389 6.998 -0.894 1.00 0.00 C ATOM 1086 CG LEU A 70 5.406 6.332 0.490 1.00 0.00 C ATOM 1087 CD1 LEU A 70 4.295 5.315 0.725 1.00 0.00 C ATOM 1088 CD2 LEU A 70 6.758 5.653 0.654 1.00 0.00 C ATOM 0 H LEU A 70 4.529 5.547 -2.605 1.00 0.00 H new ATOM 0 HA LEU A 70 3.222 7.162 -0.767 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.969 6.379 -1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.902 7.957 -0.818 1.00 0.00 H new ATOM 0 HG LEU A 70 5.235 7.116 1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.389 4.899 1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.326 5.805 0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.374 4.513 -0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.806 5.168 1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.888 4.906 -0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.551 6.398 0.580 1.00 0.00 H new ATOM 1100 N ARG A 71 4.246 8.829 -3.372 1.00 0.00 N ATOM 1101 CA ARG A 71 4.109 10.075 -4.118 1.00 0.00 C ATOM 1102 C ARG A 71 2.755 10.141 -4.820 1.00 0.00 C ATOM 1103 O ARG A 71 2.178 11.226 -4.899 1.00 0.00 O ATOM 1104 CB ARG A 71 5.315 10.212 -5.072 1.00 0.00 C ATOM 1105 CG ARG A 71 5.039 10.926 -6.404 1.00 0.00 C ATOM 1106 CD ARG A 71 6.305 11.587 -6.953 1.00 0.00 C ATOM 1107 NE ARG A 71 6.517 12.919 -6.362 1.00 0.00 N ATOM 1108 CZ ARG A 71 5.866 14.039 -6.702 1.00 0.00 C ATOM 1109 NH1 ARG A 71 4.872 14.011 -7.585 1.00 0.00 N ATOM 1110 NH2 ARG A 71 6.216 15.189 -6.143 1.00 0.00 N ATOM 0 H ARG A 71 4.599 8.066 -3.949 1.00 0.00 H new ATOM 0 HA ARG A 71 4.123 10.933 -3.445 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.107 10.750 -4.551 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.697 9.215 -5.289 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.656 10.209 -7.131 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.265 11.680 -6.261 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.167 10.954 -6.744 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.230 11.676 -8.037 1.00 0.00 H new ATOM 0 HE ARG A 71 7.222 12.995 -5.629 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.596 13.128 -8.014 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.386 14.873 -7.833 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.974 15.215 -5.461 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.727 16.048 -6.395 1.00 0.00 H new ATOM 1124 N LEU A 72 2.254 9.035 -5.376 1.00 0.00 N ATOM 1125 CA LEU A 72 0.976 9.040 -6.086 1.00 0.00 C ATOM 1126 C LEU A 72 -0.143 9.453 -5.135 1.00 0.00 C ATOM 1127 O LEU A 72 -0.870 10.401 -5.432 1.00 0.00 O ATOM 1128 CB LEU A 72 0.656 7.672 -6.710 1.00 0.00 C ATOM 1129 CG LEU A 72 1.621 7.220 -7.821 1.00 0.00 C ATOM 1130 CD1 LEU A 72 1.177 5.839 -8.302 1.00 0.00 C ATOM 1131 CD2 LEU A 72 1.668 8.202 -8.997 1.00 0.00 C ATOM 0 H LEU A 72 2.715 8.126 -5.347 1.00 0.00 H new ATOM 0 HA LEU A 72 1.054 9.761 -6.900 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.658 6.920 -5.921 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.354 7.703 -7.118 1.00 0.00 H new ATOM 0 HG LEU A 72 2.630 7.185 -7.411 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.846 5.496 -9.091 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.208 5.136 -7.469 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.160 5.898 -8.689 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.364 7.834 -9.751 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.674 8.293 -9.435 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.000 9.178 -8.643 1.00 0.00 H new ATOM 1143 N SER A 73 -0.242 8.788 -3.984 1.00 0.00 N ATOM 1144 CA SER A 73 -1.112 9.180 -2.892 1.00 0.00 C ATOM 1145 C SER A 73 -0.589 10.487 -2.290 1.00 0.00 C ATOM 1146 O SER A 73 0.617 10.748 -2.300 1.00 0.00 O ATOM 1147 CB SER A 73 -1.115 8.044 -1.861 1.00 0.00 C ATOM 1148 OG SER A 73 -2.046 8.256 -0.817 1.00 0.00 O ATOM 0 H SER A 73 0.296 7.944 -3.787 1.00 0.00 H new ATOM 0 HA SER A 73 -2.134 9.351 -3.231 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.346 7.104 -2.363 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.116 7.942 -1.436 1.00 0.00 H new ATOM 0 HG SER A 73 -1.652 7.975 0.035 1.00 0.00 H new ATOM 1154 N GLY A 74 -1.488 11.298 -1.736 1.00 0.00 N ATOM 1155 CA GLY A 74 -1.149 12.539 -1.067 1.00 0.00 C ATOM 1156 C GLY A 74 -2.386 13.420 -0.905 1.00 0.00 C ATOM 1157 O GLY A 74 -3.483 13.028 -1.311 1.00 0.00 O ATOM 0 H GLY A 74 -2.489 11.102 -1.743 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.718 12.325 -0.089 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.390 13.071 -1.640 1.00 0.00 H new ATOM 1161 N PRO A 75 -2.233 14.606 -0.297 1.00 0.00 N ATOM 1162 CA PRO A 75 -3.305 15.571 -0.093 1.00 0.00 C ATOM 1163 C PRO A 75 -3.646 16.328 -1.385 1.00 0.00 C ATOM 1164 O PRO A 75 -3.471 17.549 -1.478 1.00 0.00 O ATOM 1165 CB PRO A 75 -2.800 16.466 1.046 1.00 0.00 C ATOM 1166 CG PRO A 75 -1.288 16.469 0.846 1.00 0.00 C ATOM 1167 CD PRO A 75 -1.014 15.050 0.364 1.00 0.00 C ATOM 0 HA PRO A 75 -4.253 15.105 0.176 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.216 17.471 0.982 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.076 16.068 2.023 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -0.978 17.213 0.113 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.757 16.692 1.771 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -0.168 15.028 -0.323 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -0.763 14.396 1.199 1.00 0.00 H new ATOM 1175 N SER A 76 -4.163 15.625 -2.385 1.00 0.00 N ATOM 1176 CA SER A 76 -4.714 16.190 -3.607 1.00 0.00 C ATOM 1177 C SER A 76 -5.840 15.280 -4.105 1.00 0.00 C ATOM 1178 O SER A 76 -6.057 14.202 -3.544 1.00 0.00 O ATOM 1179 CB SER A 76 -3.580 16.383 -4.624 1.00 0.00 C ATOM 1180 OG SER A 76 -2.778 15.224 -4.733 1.00 0.00 O ATOM 0 H SER A 76 -4.211 14.606 -2.365 1.00 0.00 H new ATOM 0 HA SER A 76 -5.152 17.174 -3.438 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.002 16.627 -5.599 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.961 17.228 -4.324 1.00 0.00 H new ATOM 0 HG SER A 76 -2.067 15.379 -5.389 1.00 0.00 H new ATOM 1186 N SER A 77 -6.595 15.707 -5.119 1.00 0.00 N ATOM 1187 CA SER A 77 -7.677 14.898 -5.674 1.00 0.00 C ATOM 1188 C SER A 77 -7.155 13.974 -6.781 1.00 0.00 C ATOM 1189 O SER A 77 -7.767 12.941 -7.061 1.00 0.00 O ATOM 1190 CB SER A 77 -8.784 15.819 -6.203 1.00 0.00 C ATOM 1191 OG SER A 77 -10.053 15.222 -6.041 1.00 0.00 O ATOM 0 H SER A 77 -6.475 16.613 -5.573 1.00 0.00 H new ATOM 0 HA SER A 77 -8.089 14.266 -4.887 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.755 16.771 -5.673 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.611 16.035 -7.257 1.00 0.00 H new ATOM 0 HG SER A 77 -10.745 15.826 -6.383 1.00 0.00 H new ATOM 1197 N GLY A 78 -6.026 14.309 -7.405 1.00 0.00 N ATOM 1198 CA GLY A 78 -5.733 13.875 -8.759 1.00 0.00 C ATOM 1199 C GLY A 78 -6.464 14.836 -9.663 1.00 0.00 C ATOM 1200 O GLY A 78 -7.482 14.438 -10.265 1.00 0.00 O ATOM 0 H GLY A 78 -5.297 14.885 -6.984 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.661 13.894 -8.953 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.068 12.851 -8.923 1.00 0.00 H new TER 1204 GLY A 78