USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 690 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 3 THR OG1 : rot 180:sc= 0.101 USER MOD Set 1.2: A 55 LYS NZ :NH3+ -161:sc= 1.99 (180deg=1.65) USER MOD Set 2.1: A 31 CYS SG : rot 151:sc= 0.773 USER MOD Set 2.2: A 33 HIS : no HE2:sc= 0.902 K(o=1.7,f=-6.2!) USER MOD Set 3.1: A 5 TYR OH : rot 61:sc= 0.286 USER MOD Set 3.2: A 34 CYS SG : rot 105:sc= 0.285 USER MOD Single : A 1 MET CE :methyl -110:sc= -0.0281 (180deg=-0.558) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.0784 (180deg=-0.293) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0.0633 USER MOD Single : A 22 THR OG1 : rot 68:sc= 0.165 USER MOD Single : A 28 THR OG1 : rot 148:sc= 0.424 USER MOD Single : A 35 GLN : amide:sc= 0.635 K(o=0.63,f=-0.031) USER MOD Single : A 38 GLN : amide:sc= 0.855 K(o=0.85,f=-0.068) USER MOD Single : A 46 SER OG : rot 77:sc= 0.656 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0303 USER MOD Single : A 53 HIS : no HE2:sc= -1.12 K(o=-1.1,f=-2.5!) USER MOD Single : A 67 SER OG : rot -99:sc= 0.577 USER MOD Single : A 69 GLN : amide:sc= -0.54 X(o=-0.54,f=-0.27) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 85:sc= 1.14 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.974 5.230 10.444 1.00 0.00 N ATOM 2 CA MET A 1 4.172 4.293 9.337 1.00 0.00 C ATOM 3 C MET A 1 5.646 4.150 8.914 1.00 0.00 C ATOM 4 O MET A 1 5.960 3.323 8.059 1.00 0.00 O ATOM 5 CB MET A 1 3.299 4.711 8.136 1.00 0.00 C ATOM 6 CG MET A 1 1.794 4.654 8.432 1.00 0.00 C ATOM 7 SD MET A 1 1.171 3.020 8.910 1.00 0.00 S ATOM 8 CE MET A 1 -0.581 3.434 9.079 1.00 0.00 C ATOM 0 H1 MET A 1 3.002 5.143 10.802 1.00 0.00 H new ATOM 0 H2 MET A 1 4.645 5.012 11.208 1.00 0.00 H new ATOM 0 H3 MET A 1 4.134 6.202 10.109 1.00 0.00 H new ATOM 0 HA MET A 1 3.865 3.310 9.694 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.566 5.725 7.837 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.521 4.060 7.290 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.569 5.361 9.231 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.252 4.989 7.548 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.862 3.403 10.132 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.758 4.435 8.686 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.180 2.714 8.522 1.00 0.00 H new ATOM 16 N LYS A 2 6.561 4.907 9.529 1.00 0.00 N ATOM 17 CA LYS A 2 7.978 5.031 9.134 1.00 0.00 C ATOM 18 C LYS A 2 8.865 3.774 9.328 1.00 0.00 C ATOM 19 O LYS A 2 10.015 3.762 8.878 1.00 0.00 O ATOM 20 CB LYS A 2 8.572 6.261 9.857 1.00 0.00 C ATOM 21 CG LYS A 2 8.657 6.093 11.386 1.00 0.00 C ATOM 22 CD LYS A 2 9.276 7.336 12.042 1.00 0.00 C ATOM 23 CE LYS A 2 9.336 7.155 13.564 1.00 0.00 C ATOM 24 NZ LYS A 2 9.923 8.343 14.235 1.00 0.00 N ATOM 0 H LYS A 2 6.332 5.473 10.346 1.00 0.00 H new ATOM 0 HA LYS A 2 7.982 5.155 8.051 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.570 6.456 9.465 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.963 7.136 9.629 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.660 5.921 11.793 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.255 5.214 11.626 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.279 7.503 11.648 1.00 0.00 H new ATOM 0 HD3 LYS A 2 8.686 8.219 11.796 1.00 0.00 H new ATOM 0 HE2 LYS A 2 8.332 6.978 13.949 1.00 0.00 H new ATOM 0 HE3 LYS A 2 9.929 6.272 13.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 9.947 8.185 15.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 10.890 8.497 13.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 9.343 9.181 14.028 1.00 0.00 H new ATOM 34 N THR A 3 8.363 2.735 10.009 1.00 0.00 N ATOM 35 CA THR A 3 9.065 1.465 10.302 1.00 0.00 C ATOM 36 C THR A 3 9.285 0.613 9.050 1.00 0.00 C ATOM 37 O THR A 3 8.623 0.801 8.028 1.00 0.00 O ATOM 38 CB THR A 3 8.301 0.682 11.384 1.00 0.00 C ATOM 39 OG1 THR A 3 6.938 0.607 11.028 1.00 0.00 O ATOM 40 CG2 THR A 3 8.403 1.363 12.748 1.00 0.00 C ATOM 0 H THR A 3 7.417 2.751 10.390 1.00 0.00 H new ATOM 0 HA THR A 3 10.057 1.714 10.677 1.00 0.00 H new ATOM 0 HB THR A 3 8.745 -0.311 11.453 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.448 0.107 11.714 1.00 0.00 H new ATOM 0 HG21 THR A 3 7.852 0.782 13.487 1.00 0.00 H new ATOM 0 HG22 THR A 3 9.450 1.428 13.045 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.981 2.366 12.686 1.00 0.00 H new ATOM 48 N ARG A 4 10.203 -0.356 9.145 1.00 0.00 N ATOM 49 CA ARG A 4 10.607 -1.248 8.046 1.00 0.00 C ATOM 50 C ARG A 4 9.495 -2.184 7.534 1.00 0.00 C ATOM 51 O ARG A 4 8.502 -2.436 8.214 1.00 0.00 O ATOM 52 CB ARG A 4 11.897 -2.014 8.419 1.00 0.00 C ATOM 53 CG ARG A 4 11.756 -3.230 9.359 1.00 0.00 C ATOM 54 CD ARG A 4 11.067 -2.976 10.708 1.00 0.00 C ATOM 55 NE ARG A 4 11.767 -1.958 11.517 1.00 0.00 N ATOM 56 CZ ARG A 4 11.362 -1.481 12.693 1.00 0.00 C ATOM 57 NH1 ARG A 4 10.253 -1.893 13.272 1.00 0.00 N ATOM 58 NH2 ARG A 4 12.072 -0.562 13.307 1.00 0.00 N ATOM 0 H ARG A 4 10.702 -0.549 10.014 1.00 0.00 H new ATOM 0 HA ARG A 4 10.817 -0.602 7.194 1.00 0.00 H new ATOM 0 HB2 ARG A 4 12.365 -2.355 7.495 1.00 0.00 H new ATOM 0 HB3 ARG A 4 12.585 -1.308 8.883 1.00 0.00 H new ATOM 0 HG2 ARG A 4 11.200 -4.006 8.832 1.00 0.00 H new ATOM 0 HG3 ARG A 4 12.752 -3.628 9.554 1.00 0.00 H new ATOM 0 HD2 ARG A 4 10.040 -2.654 10.533 1.00 0.00 H new ATOM 0 HD3 ARG A 4 11.017 -3.910 11.268 1.00 0.00 H new ATOM 0 HE ARG A 4 12.640 -1.587 11.141 1.00 0.00 H new ATOM 0 HH11 ARG A 4 9.673 -2.600 12.819 1.00 0.00 H new ATOM 0 HH12 ARG A 4 9.974 -1.505 14.173 1.00 0.00 H new ATOM 0 HH21 ARG A 4 12.932 -0.214 12.883 1.00 0.00 H new ATOM 0 HH22 ARG A 4 11.763 -0.196 14.207 1.00 0.00 H new ATOM 69 N TYR A 5 9.696 -2.719 6.329 1.00 0.00 N ATOM 70 CA TYR A 5 8.833 -3.718 5.675 1.00 0.00 C ATOM 71 C TYR A 5 8.811 -5.103 6.358 1.00 0.00 C ATOM 72 O TYR A 5 9.698 -5.420 7.154 1.00 0.00 O ATOM 73 CB TYR A 5 9.276 -3.866 4.213 1.00 0.00 C ATOM 74 CG TYR A 5 8.760 -2.784 3.294 1.00 0.00 C ATOM 75 CD1 TYR A 5 9.412 -1.542 3.220 1.00 0.00 C ATOM 76 CD2 TYR A 5 7.620 -3.030 2.513 1.00 0.00 C ATOM 77 CE1 TYR A 5 8.943 -0.558 2.335 1.00 0.00 C ATOM 78 CE2 TYR A 5 7.130 -2.041 1.636 1.00 0.00 C ATOM 79 CZ TYR A 5 7.813 -0.806 1.524 1.00 0.00 C ATOM 80 OH TYR A 5 7.414 0.133 0.621 1.00 0.00 O ATOM 0 H TYR A 5 10.497 -2.461 5.753 1.00 0.00 H new ATOM 0 HA TYR A 5 7.812 -3.344 5.754 1.00 0.00 H new ATOM 0 HB2 TYR A 5 10.365 -3.870 4.174 1.00 0.00 H new ATOM 0 HB3 TYR A 5 8.940 -4.834 3.840 1.00 0.00 H new ATOM 0 HD1 TYR A 5 10.272 -1.344 3.842 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.115 -3.982 2.584 1.00 0.00 H new ATOM 0 HE1 TYR A 5 9.449 0.394 2.274 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.239 -2.224 1.053 1.00 0.00 H new ATOM 0 HH TYR A 5 8.129 0.284 -0.032 1.00 0.00 H new ATOM 89 N SER A 6 7.831 -5.945 6.016 1.00 0.00 N ATOM 90 CA SER A 6 7.786 -7.348 6.473 1.00 0.00 C ATOM 91 C SER A 6 7.582 -8.370 5.341 1.00 0.00 C ATOM 92 O SER A 6 6.689 -8.231 4.505 1.00 0.00 O ATOM 93 CB SER A 6 6.678 -7.535 7.507 1.00 0.00 C ATOM 94 OG SER A 6 6.722 -8.860 8.034 1.00 0.00 O ATOM 0 H SER A 6 7.048 -5.681 5.418 1.00 0.00 H new ATOM 0 HA SER A 6 8.766 -7.542 6.909 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.795 -6.810 8.313 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.707 -7.349 7.049 1.00 0.00 H new ATOM 0 HG SER A 6 6.010 -8.972 8.698 1.00 0.00 H new ATOM 99 N ALA A 7 8.391 -9.435 5.329 1.00 0.00 N ATOM 100 CA ALA A 7 8.225 -10.583 4.433 1.00 0.00 C ATOM 101 C ALA A 7 7.113 -11.549 4.885 1.00 0.00 C ATOM 102 O ALA A 7 6.659 -12.379 4.096 1.00 0.00 O ATOM 103 CB ALA A 7 9.577 -11.300 4.330 1.00 0.00 C ATOM 0 H ALA A 7 9.193 -9.524 5.953 1.00 0.00 H new ATOM 0 HA ALA A 7 7.906 -10.220 3.456 1.00 0.00 H new ATOM 0 HB1 ALA A 7 9.483 -12.161 3.668 1.00 0.00 H new ATOM 0 HB2 ALA A 7 10.323 -10.614 3.929 1.00 0.00 H new ATOM 0 HB3 ALA A 7 9.887 -11.636 5.320 1.00 0.00 H new ATOM 109 N GLU A 8 6.665 -11.445 6.143 1.00 0.00 N ATOM 110 CA GLU A 8 5.670 -12.325 6.775 1.00 0.00 C ATOM 111 C GLU A 8 4.232 -11.789 6.594 1.00 0.00 C ATOM 112 O GLU A 8 3.403 -11.839 7.506 1.00 0.00 O ATOM 113 CB GLU A 8 6.047 -12.557 8.252 1.00 0.00 C ATOM 114 CG GLU A 8 7.414 -13.242 8.416 1.00 0.00 C ATOM 115 CD GLU A 8 7.671 -13.621 9.891 1.00 0.00 C ATOM 116 OE1 GLU A 8 8.228 -12.795 10.650 1.00 0.00 O ATOM 117 OE2 GLU A 8 7.318 -14.756 10.292 1.00 0.00 O ATOM 0 H GLU A 8 6.998 -10.717 6.775 1.00 0.00 H new ATOM 0 HA GLU A 8 5.682 -13.293 6.274 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.060 -11.600 8.774 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.280 -13.169 8.727 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.453 -14.137 7.795 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.203 -12.576 8.065 1.00 0.00 H new ATOM 122 N ALA A 9 3.932 -11.262 5.401 1.00 0.00 N ATOM 123 CA ALA A 9 2.598 -10.800 5.011 1.00 0.00 C ATOM 124 C ALA A 9 1.569 -11.958 4.957 1.00 0.00 C ATOM 125 O ALA A 9 1.963 -13.115 4.751 1.00 0.00 O ATOM 126 CB ALA A 9 2.698 -10.080 3.656 1.00 0.00 C ATOM 0 H ALA A 9 4.627 -11.143 4.664 1.00 0.00 H new ATOM 0 HA ALA A 9 2.234 -10.107 5.769 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.710 -9.731 3.355 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.372 -9.228 3.746 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.083 -10.770 2.905 1.00 0.00 H new ATOM 132 N PRO A 10 0.261 -11.663 5.088 1.00 0.00 N ATOM 133 CA PRO A 10 -0.810 -12.648 4.950 1.00 0.00 C ATOM 134 C PRO A 10 -0.923 -13.177 3.519 1.00 0.00 C ATOM 135 O PRO A 10 -0.496 -12.529 2.561 1.00 0.00 O ATOM 136 CB PRO A 10 -2.093 -11.910 5.353 1.00 0.00 C ATOM 137 CG PRO A 10 -1.778 -10.468 4.972 1.00 0.00 C ATOM 138 CD PRO A 10 -0.314 -10.347 5.352 1.00 0.00 C ATOM 0 HA PRO A 10 -0.619 -13.521 5.574 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.964 -12.290 4.819 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.302 -12.012 6.418 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.939 -10.283 3.910 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.400 -9.758 5.517 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.183 -9.575 4.764 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.201 -10.071 6.400 1.00 0.00 H new ATOM 143 N ALA A 11 -1.572 -14.334 3.364 1.00 0.00 N ATOM 144 CA ALA A 11 -1.989 -14.832 2.057 1.00 0.00 C ATOM 145 C ALA A 11 -3.186 -14.026 1.512 1.00 0.00 C ATOM 146 O ALA A 11 -3.995 -13.500 2.280 1.00 0.00 O ATOM 147 CB ALA A 11 -2.331 -16.324 2.179 1.00 0.00 C ATOM 0 H ALA A 11 -1.821 -14.948 4.140 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.173 -14.708 1.345 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.644 -16.706 1.207 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.452 -16.872 2.519 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.140 -16.454 2.898 1.00 0.00 H new ATOM 153 N ARG A 12 -3.343 -13.976 0.184 1.00 0.00 N ATOM 154 CA ARG A 12 -4.433 -13.207 -0.446 1.00 0.00 C ATOM 155 C ARG A 12 -5.831 -13.743 -0.077 1.00 0.00 C ATOM 156 O ARG A 12 -6.794 -12.988 0.001 1.00 0.00 O ATOM 157 CB ARG A 12 -4.201 -13.128 -1.963 1.00 0.00 C ATOM 158 CG ARG A 12 -4.812 -11.841 -2.542 1.00 0.00 C ATOM 159 CD ARG A 12 -4.351 -11.633 -3.988 1.00 0.00 C ATOM 160 NE ARG A 12 -4.791 -10.326 -4.508 1.00 0.00 N ATOM 161 CZ ARG A 12 -5.794 -10.082 -5.345 1.00 0.00 C ATOM 162 NH1 ARG A 12 -6.562 -11.040 -5.833 1.00 0.00 N ATOM 163 NH2 ARG A 12 -6.054 -8.845 -5.695 1.00 0.00 N ATOM 0 H ARG A 12 -2.733 -14.456 -0.477 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.412 -12.193 -0.048 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.132 -13.155 -2.174 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.644 -13.997 -2.449 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.900 -11.899 -2.505 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.518 -10.986 -1.934 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.264 -11.700 -4.039 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.749 -12.430 -4.617 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.264 -9.514 -4.188 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.395 -12.011 -5.570 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.322 -10.808 -6.473 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.489 -8.081 -5.325 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.822 -8.647 -6.337 1.00 0.00 H new ATOM 174 N ASP A 13 -5.928 -15.036 0.242 1.00 0.00 N ATOM 175 CA ASP A 13 -7.124 -15.688 0.798 1.00 0.00 C ATOM 176 C ASP A 13 -7.468 -15.235 2.231 1.00 0.00 C ATOM 177 O ASP A 13 -8.641 -15.210 2.592 1.00 0.00 O ATOM 178 CB ASP A 13 -6.887 -17.199 0.787 1.00 0.00 C ATOM 179 CG ASP A 13 -8.146 -18.000 1.158 1.00 0.00 C ATOM 180 OD1 ASP A 13 -9.104 -18.015 0.347 1.00 0.00 O ATOM 181 OD2 ASP A 13 -8.165 -18.632 2.242 1.00 0.00 O ATOM 0 H ASP A 13 -5.150 -15.684 0.117 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.973 -15.402 0.177 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.547 -17.502 -0.203 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.087 -17.442 1.487 1.00 0.00 H new ATOM 185 N GLU A 14 -6.462 -14.876 3.043 1.00 0.00 N ATOM 186 CA GLU A 14 -6.651 -14.323 4.386 1.00 0.00 C ATOM 187 C GLU A 14 -6.973 -12.818 4.323 1.00 0.00 C ATOM 188 O GLU A 14 -7.786 -12.316 5.094 1.00 0.00 O ATOM 189 CB GLU A 14 -5.379 -14.526 5.219 1.00 0.00 C ATOM 190 CG GLU A 14 -5.009 -15.991 5.465 1.00 0.00 C ATOM 191 CD GLU A 14 -3.689 -16.091 6.248 1.00 0.00 C ATOM 192 OE1 GLU A 14 -2.627 -15.751 5.680 1.00 0.00 O ATOM 193 OE2 GLU A 14 -3.707 -16.503 7.432 1.00 0.00 O ATOM 0 H GLU A 14 -5.481 -14.964 2.778 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.488 -14.845 4.849 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.547 -14.034 4.715 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.507 -14.030 6.181 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.806 -16.485 6.021 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.914 -16.513 4.513 1.00 0.00 H new ATOM 198 N LEU A 15 -6.346 -12.099 3.384 1.00 0.00 N ATOM 199 CA LEU A 15 -6.582 -10.694 3.062 1.00 0.00 C ATOM 200 C LEU A 15 -8.018 -10.471 2.560 1.00 0.00 C ATOM 201 O LEU A 15 -8.628 -9.458 2.891 1.00 0.00 O ATOM 202 CB LEU A 15 -5.481 -10.340 2.041 1.00 0.00 C ATOM 203 CG LEU A 15 -5.402 -8.910 1.479 1.00 0.00 C ATOM 204 CD1 LEU A 15 -3.997 -8.727 0.880 1.00 0.00 C ATOM 205 CD2 LEU A 15 -6.434 -8.648 0.373 1.00 0.00 C ATOM 0 H LEU A 15 -5.620 -12.510 2.797 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.516 -10.033 3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.520 -10.562 2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.590 -11.018 1.195 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.609 -8.212 2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.904 -7.721 0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.248 -8.873 1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.842 -9.458 0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.331 -7.624 0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.266 -9.340 -0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.438 -8.794 0.770 1.00 0.00 H new ATOM 216 N ASP A 16 -8.608 -11.438 1.853 1.00 0.00 N ATOM 217 CA ASP A 16 -9.996 -11.410 1.366 1.00 0.00 C ATOM 218 C ASP A 16 -11.027 -11.331 2.510 1.00 0.00 C ATOM 219 O ASP A 16 -12.167 -10.913 2.294 1.00 0.00 O ATOM 220 CB ASP A 16 -10.207 -12.661 0.494 1.00 0.00 C ATOM 221 CG ASP A 16 -11.640 -12.795 -0.051 1.00 0.00 C ATOM 222 OD1 ASP A 16 -11.940 -12.200 -1.116 1.00 0.00 O ATOM 223 OD2 ASP A 16 -12.440 -13.525 0.580 1.00 0.00 O ATOM 0 H ASP A 16 -8.118 -12.294 1.593 1.00 0.00 H new ATOM 0 HA ASP A 16 -10.156 -10.506 0.779 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.510 -12.632 -0.343 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.965 -13.548 1.080 1.00 0.00 H new ATOM 227 N ARG A 17 -10.619 -11.688 3.733 1.00 0.00 N ATOM 228 CA ARG A 17 -11.441 -11.657 4.942 1.00 0.00 C ATOM 229 C ARG A 17 -11.513 -10.262 5.587 1.00 0.00 C ATOM 230 O ARG A 17 -12.331 -10.065 6.491 1.00 0.00 O ATOM 231 CB ARG A 17 -10.898 -12.669 5.966 1.00 0.00 C ATOM 232 CG ARG A 17 -10.591 -14.083 5.436 1.00 0.00 C ATOM 233 CD ARG A 17 -11.803 -14.948 5.066 1.00 0.00 C ATOM 234 NE ARG A 17 -12.533 -14.460 3.879 1.00 0.00 N ATOM 235 CZ ARG A 17 -13.855 -14.437 3.701 1.00 0.00 C ATOM 236 NH1 ARG A 17 -14.705 -14.843 4.626 1.00 0.00 N ATOM 237 NH2 ARG A 17 -14.342 -14.001 2.568 1.00 0.00 N ATOM 0 H ARG A 17 -9.671 -12.019 3.912 1.00 0.00 H new ATOM 0 HA ARG A 17 -12.454 -11.923 4.641 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.985 -12.261 6.398 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.622 -12.758 6.776 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.957 -13.988 4.555 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.010 -14.613 6.191 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.469 -15.969 4.883 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.487 -14.984 5.914 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.965 -14.101 3.112 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.358 -15.192 5.520 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.709 -14.808 4.447 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.713 -13.683 1.831 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.351 -13.979 2.421 1.00 0.00 H new ATOM 248 N LEU A 18 -10.665 -9.308 5.179 1.00 0.00 N ATOM 249 CA LEU A 18 -10.664 -7.942 5.740 1.00 0.00 C ATOM 250 C LEU A 18 -11.953 -7.166 5.409 1.00 0.00 C ATOM 251 O LEU A 18 -12.708 -7.560 4.520 1.00 0.00 O ATOM 252 CB LEU A 18 -9.353 -7.193 5.380 1.00 0.00 C ATOM 253 CG LEU A 18 -9.209 -6.571 3.972 1.00 0.00 C ATOM 254 CD1 LEU A 18 -9.922 -5.215 3.820 1.00 0.00 C ATOM 255 CD2 LEU A 18 -7.718 -6.336 3.675 1.00 0.00 C ATOM 0 H LEU A 18 -9.962 -9.456 4.455 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.673 -8.023 6.827 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.220 -6.393 6.108 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.527 -7.890 5.518 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.670 -7.276 3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.778 -4.840 2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.988 -5.341 4.012 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.506 -4.503 4.533 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.609 -5.897 2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.301 -5.658 4.419 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.185 -7.286 3.712 1.00 0.00 H new ATOM 266 N ALA A 19 -12.199 -6.044 6.104 1.00 0.00 N ATOM 267 CA ALA A 19 -13.391 -5.206 5.894 1.00 0.00 C ATOM 268 C ALA A 19 -13.110 -3.693 5.834 1.00 0.00 C ATOM 269 O ALA A 19 -13.613 -3.014 4.935 1.00 0.00 O ATOM 270 CB ALA A 19 -14.400 -5.552 6.987 1.00 0.00 C ATOM 0 H ALA A 19 -11.575 -5.691 6.830 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.791 -5.431 4.905 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.297 -4.946 6.859 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.662 -6.608 6.919 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -13.962 -5.349 7.964 1.00 0.00 H new ATOM 276 N GLY A 20 -12.300 -3.154 6.754 1.00 0.00 N ATOM 277 CA GLY A 20 -11.994 -1.716 6.823 1.00 0.00 C ATOM 278 C GLY A 20 -11.017 -1.251 5.731 1.00 0.00 C ATOM 279 O GLY A 20 -10.407 -2.096 5.067 1.00 0.00 O ATOM 0 H GLY A 20 -11.835 -3.705 7.476 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.921 -1.149 6.737 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.571 -1.488 7.801 1.00 0.00 H new ATOM 283 N PRO A 21 -10.841 0.071 5.536 1.00 0.00 N ATOM 284 CA PRO A 21 -9.942 0.615 4.524 1.00 0.00 C ATOM 285 C PRO A 21 -8.501 0.237 4.860 1.00 0.00 C ATOM 286 O PRO A 21 -7.946 0.687 5.864 1.00 0.00 O ATOM 287 CB PRO A 21 -10.203 2.124 4.510 1.00 0.00 C ATOM 288 CG PRO A 21 -10.721 2.421 5.917 1.00 0.00 C ATOM 289 CD PRO A 21 -11.481 1.144 6.285 1.00 0.00 C ATOM 0 HA PRO A 21 -10.115 0.212 3.526 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.294 2.685 4.292 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.935 2.396 3.749 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.906 2.619 6.613 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.372 3.295 5.931 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.432 0.955 7.357 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.536 1.228 6.024 1.00 0.00 H new ATOM 294 N THR A 22 -7.906 -0.625 4.022 1.00 0.00 N ATOM 295 CA THR A 22 -6.553 -1.174 4.220 1.00 0.00 C ATOM 296 C THR A 22 -5.734 -0.991 2.947 1.00 0.00 C ATOM 297 O THR A 22 -6.060 -1.549 1.904 1.00 0.00 O ATOM 298 CB THR A 22 -6.619 -2.665 4.595 1.00 0.00 C ATOM 299 OG1 THR A 22 -7.411 -2.823 5.751 1.00 0.00 O ATOM 300 CG2 THR A 22 -5.232 -3.230 4.908 1.00 0.00 C ATOM 0 H THR A 22 -8.357 -0.967 3.174 1.00 0.00 H new ATOM 0 HA THR A 22 -6.075 -0.637 5.039 1.00 0.00 H new ATOM 0 HB THR A 22 -7.042 -3.197 3.743 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.344 -2.612 5.539 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.319 -4.285 5.168 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.590 -3.124 4.033 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.797 -2.684 5.745 1.00 0.00 H new ATOM 308 N LEU A 23 -4.644 -0.234 3.022 1.00 0.00 N ATOM 309 CA LEU A 23 -3.676 -0.111 1.937 1.00 0.00 C ATOM 310 C LEU A 23 -2.632 -1.235 2.032 1.00 0.00 C ATOM 311 O LEU A 23 -2.092 -1.484 3.108 1.00 0.00 O ATOM 312 CB LEU A 23 -3.059 1.299 1.996 1.00 0.00 C ATOM 313 CG LEU A 23 -2.117 1.646 0.827 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.803 1.409 -0.510 1.00 0.00 C ATOM 315 CD2 LEU A 23 -1.626 3.076 0.923 1.00 0.00 C ATOM 0 H LEU A 23 -4.405 0.317 3.846 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.156 -0.226 0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.866 2.032 2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.507 1.399 2.930 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.252 0.986 0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.118 1.661 -1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.090 0.361 -0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.692 2.035 -0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.964 3.290 0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.478 3.756 0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.083 3.212 1.858 1.00 0.00 H new ATOM 326 N VAL A 24 -2.333 -1.896 0.913 1.00 0.00 N ATOM 327 CA VAL A 24 -1.328 -2.971 0.807 1.00 0.00 C ATOM 328 C VAL A 24 -0.215 -2.513 -0.133 1.00 0.00 C ATOM 329 O VAL A 24 -0.454 -2.326 -1.321 1.00 0.00 O ATOM 330 CB VAL A 24 -1.975 -4.292 0.320 1.00 0.00 C ATOM 331 CG1 VAL A 24 -0.961 -5.443 0.303 1.00 0.00 C ATOM 332 CG2 VAL A 24 -3.164 -4.692 1.219 1.00 0.00 C ATOM 0 H VAL A 24 -2.794 -1.697 0.025 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.904 -3.173 1.791 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.328 -4.112 -0.695 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.450 -6.353 -0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.139 -5.194 -0.368 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.572 -5.600 1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.599 -5.622 0.854 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.816 -4.831 2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.918 -3.905 1.196 1.00 0.00 H new ATOM 342 N GLU A 25 0.977 -2.297 0.428 1.00 0.00 N ATOM 343 CA GLU A 25 2.143 -1.696 -0.223 1.00 0.00 C ATOM 344 C GLU A 25 3.248 -2.719 -0.478 1.00 0.00 C ATOM 345 O GLU A 25 3.674 -3.418 0.446 1.00 0.00 O ATOM 346 CB GLU A 25 2.661 -0.551 0.661 1.00 0.00 C ATOM 347 CG GLU A 25 3.913 0.154 0.128 1.00 0.00 C ATOM 348 CD GLU A 25 4.456 1.222 1.091 1.00 0.00 C ATOM 349 OE1 GLU A 25 4.811 0.882 2.243 1.00 0.00 O ATOM 350 OE2 GLU A 25 4.602 2.391 0.667 1.00 0.00 O ATOM 0 H GLU A 25 1.164 -2.550 1.398 1.00 0.00 H new ATOM 0 HA GLU A 25 1.841 -1.313 -1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.867 0.187 0.778 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.878 -0.946 1.653 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.690 -0.588 -0.058 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.681 0.620 -0.830 1.00 0.00 H new ATOM 355 N PHE A 26 3.742 -2.752 -1.718 1.00 0.00 N ATOM 356 CA PHE A 26 4.811 -3.639 -2.170 1.00 0.00 C ATOM 357 C PHE A 26 6.120 -2.858 -2.324 1.00 0.00 C ATOM 358 O PHE A 26 6.152 -1.810 -2.979 1.00 0.00 O ATOM 359 CB PHE A 26 4.369 -4.295 -3.485 1.00 0.00 C ATOM 360 CG PHE A 26 3.044 -5.024 -3.360 1.00 0.00 C ATOM 361 CD1 PHE A 26 2.996 -6.299 -2.767 1.00 0.00 C ATOM 362 CD2 PHE A 26 1.843 -4.395 -3.752 1.00 0.00 C ATOM 363 CE1 PHE A 26 1.760 -6.922 -2.538 1.00 0.00 C ATOM 364 CE2 PHE A 26 0.606 -5.029 -3.537 1.00 0.00 C ATOM 365 CZ PHE A 26 0.568 -6.282 -2.914 1.00 0.00 C ATOM 0 H PHE A 26 3.396 -2.141 -2.458 1.00 0.00 H new ATOM 0 HA PHE A 26 4.999 -4.421 -1.435 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.287 -3.531 -4.258 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.136 -4.997 -3.812 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.912 -6.799 -2.488 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.874 -3.422 -4.219 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.725 -7.896 -2.072 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.310 -4.551 -3.851 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.382 -6.758 -2.722 1.00 0.00 H new ATOM 374 N GLY A 27 7.203 -3.356 -1.721 1.00 0.00 N ATOM 375 CA GLY A 27 8.504 -2.680 -1.682 1.00 0.00 C ATOM 376 C GLY A 27 9.538 -3.381 -0.804 1.00 0.00 C ATOM 377 O GLY A 27 9.386 -4.564 -0.504 1.00 0.00 O ATOM 0 H GLY A 27 7.201 -4.255 -1.238 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.894 -2.605 -2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.363 -1.662 -1.319 1.00 0.00 H new ATOM 381 N THR A 28 10.579 -2.650 -0.389 1.00 0.00 N ATOM 382 CA THR A 28 11.605 -3.043 0.599 1.00 0.00 C ATOM 383 C THR A 28 12.081 -1.801 1.341 1.00 0.00 C ATOM 384 O THR A 28 11.798 -0.679 0.932 1.00 0.00 O ATOM 385 CB THR A 28 12.811 -3.759 -0.031 1.00 0.00 C ATOM 386 OG1 THR A 28 13.485 -2.882 -0.902 1.00 0.00 O ATOM 387 CG2 THR A 28 12.448 -5.040 -0.771 1.00 0.00 C ATOM 0 H THR A 28 10.743 -1.711 -0.752 1.00 0.00 H new ATOM 0 HA THR A 28 11.140 -3.754 1.282 1.00 0.00 H new ATOM 0 HB THR A 28 13.458 -4.054 0.795 1.00 0.00 H new ATOM 0 HG1 THR A 28 14.443 -3.089 -0.898 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.350 -5.488 -1.188 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.982 -5.741 -0.078 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.752 -4.810 -1.577 1.00 0.00 H new ATOM 395 N ASP A 29 12.828 -1.969 2.433 1.00 0.00 N ATOM 396 CA ASP A 29 13.343 -0.822 3.201 1.00 0.00 C ATOM 397 C ASP A 29 14.617 -0.213 2.569 1.00 0.00 C ATOM 398 O ASP A 29 15.182 0.744 3.101 1.00 0.00 O ATOM 399 CB ASP A 29 13.549 -1.252 4.660 1.00 0.00 C ATOM 400 CG ASP A 29 13.699 -0.047 5.606 1.00 0.00 C ATOM 401 OD1 ASP A 29 12.802 0.831 5.601 1.00 0.00 O ATOM 402 OD2 ASP A 29 14.686 -0.003 6.378 1.00 0.00 O ATOM 0 H ASP A 29 13.092 -2.880 2.808 1.00 0.00 H new ATOM 0 HA ASP A 29 12.608 -0.018 3.176 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.703 -1.860 4.981 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.438 -1.879 4.730 1.00 0.00 H new ATOM 406 N TRP A 30 15.072 -0.762 1.435 1.00 0.00 N ATOM 407 CA TRP A 30 16.388 -0.515 0.850 1.00 0.00 C ATOM 408 C TRP A 30 16.389 -0.142 -0.656 1.00 0.00 C ATOM 409 O TRP A 30 17.391 0.397 -1.128 1.00 0.00 O ATOM 410 CB TRP A 30 17.273 -1.739 1.148 1.00 0.00 C ATOM 411 CG TRP A 30 16.767 -3.091 0.744 1.00 0.00 C ATOM 412 CD1 TRP A 30 16.233 -4.020 1.570 1.00 0.00 C ATOM 413 CD2 TRP A 30 16.793 -3.697 -0.580 1.00 0.00 C ATOM 414 NE1 TRP A 30 15.919 -5.158 0.852 1.00 0.00 N ATOM 415 CE2 TRP A 30 16.222 -5.007 -0.483 1.00 0.00 C ATOM 416 CE3 TRP A 30 17.220 -3.277 -1.855 1.00 0.00 C ATOM 417 CZ2 TRP A 30 16.052 -5.836 -1.605 1.00 0.00 C ATOM 418 CZ3 TRP A 30 17.070 -4.106 -2.979 1.00 0.00 C ATOM 419 CH2 TRP A 30 16.484 -5.380 -2.864 1.00 0.00 C ATOM 0 H TRP A 30 14.511 -1.412 0.884 1.00 0.00 H new ATOM 0 HA TRP A 30 16.792 0.383 1.318 1.00 0.00 H new ATOM 0 HB2 TRP A 30 18.234 -1.583 0.658 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.462 -1.761 2.221 1.00 0.00 H new ATOM 0 HD1 TRP A 30 16.076 -3.891 2.631 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.515 -6.002 1.258 1.00 0.00 H new ATOM 0 HE3 TRP A 30 17.670 -2.302 -1.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.596 -6.810 -1.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 17.409 -3.761 -3.945 1.00 0.00 H new ATOM 0 HH2 TRP A 30 16.366 -6.004 -3.737 1.00 0.00 H new ATOM 429 N CYS A 31 15.302 -0.367 -1.413 1.00 0.00 N ATOM 430 CA CYS A 31 15.211 0.077 -2.812 1.00 0.00 C ATOM 431 C CYS A 31 15.069 1.609 -2.915 1.00 0.00 C ATOM 432 O CYS A 31 14.372 2.229 -2.103 1.00 0.00 O ATOM 433 CB CYS A 31 14.056 -0.643 -3.520 1.00 0.00 C ATOM 434 SG CYS A 31 13.987 -0.121 -5.266 1.00 0.00 S ATOM 0 H CYS A 31 14.472 -0.856 -1.077 1.00 0.00 H new ATOM 0 HA CYS A 31 16.141 -0.187 -3.315 1.00 0.00 H new ATOM 0 HB2 CYS A 31 14.195 -1.722 -3.458 1.00 0.00 H new ATOM 0 HB3 CYS A 31 13.113 -0.414 -3.024 1.00 0.00 H new ATOM 0 HG CYS A 31 13.496 -1.084 -5.988 1.00 0.00 H new ATOM 439 N GLY A 32 15.702 2.217 -3.923 1.00 0.00 N ATOM 440 CA GLY A 32 15.663 3.662 -4.206 1.00 0.00 C ATOM 441 C GLY A 32 14.268 4.168 -4.603 1.00 0.00 C ATOM 442 O GLY A 32 13.958 5.325 -4.328 1.00 0.00 O ATOM 0 H GLY A 32 16.277 1.702 -4.590 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.002 4.207 -3.325 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.365 3.887 -5.009 1.00 0.00 H new ATOM 446 N HIS A 33 13.405 3.315 -5.166 1.00 0.00 N ATOM 447 CA HIS A 33 11.982 3.632 -5.334 1.00 0.00 C ATOM 448 C HIS A 33 11.308 3.849 -3.971 1.00 0.00 C ATOM 449 O HIS A 33 10.611 4.840 -3.742 1.00 0.00 O ATOM 450 CB HIS A 33 11.268 2.466 -6.034 1.00 0.00 C ATOM 451 CG HIS A 33 11.746 2.082 -7.405 1.00 0.00 C ATOM 452 ND1 HIS A 33 12.322 0.880 -7.740 1.00 0.00 N ATOM 453 CD2 HIS A 33 11.499 2.756 -8.569 1.00 0.00 C ATOM 454 CE1 HIS A 33 12.394 0.819 -9.081 1.00 0.00 C ATOM 455 NE2 HIS A 33 11.915 1.949 -9.635 1.00 0.00 N ATOM 0 H HIS A 33 13.670 2.394 -5.515 1.00 0.00 H new ATOM 0 HA HIS A 33 11.910 4.542 -5.930 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.348 1.589 -5.392 1.00 0.00 H new ATOM 0 HB3 HIS A 33 10.209 2.714 -6.104 1.00 0.00 H new ATOM 0 HD1 HIS A 33 12.638 0.162 -7.088 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.060 3.739 -8.652 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.783 -0.021 -9.638 1.00 0.00 H new ATOM 463 N CYS A 34 11.547 2.919 -3.047 1.00 0.00 N ATOM 464 CA CYS A 34 10.988 2.946 -1.701 1.00 0.00 C ATOM 465 C CYS A 34 11.488 4.123 -0.879 1.00 0.00 C ATOM 466 O CYS A 34 10.695 4.706 -0.148 1.00 0.00 O ATOM 467 CB CYS A 34 11.337 1.620 -1.036 1.00 0.00 C ATOM 468 SG CYS A 34 10.099 0.429 -1.604 1.00 0.00 S ATOM 0 H CYS A 34 12.146 2.112 -3.219 1.00 0.00 H new ATOM 0 HA CYS A 34 9.908 3.077 -1.763 1.00 0.00 H new ATOM 0 HB2 CYS A 34 12.341 1.299 -1.312 1.00 0.00 H new ATOM 0 HB3 CYS A 34 11.319 1.712 0.050 1.00 0.00 H new ATOM 0 HG CYS A 34 10.632 -0.365 -2.485 1.00 0.00 H new ATOM 473 N GLN A 35 12.746 4.536 -1.043 1.00 0.00 N ATOM 474 CA GLN A 35 13.288 5.651 -0.257 1.00 0.00 C ATOM 475 C GLN A 35 12.551 6.970 -0.555 1.00 0.00 C ATOM 476 O GLN A 35 12.538 7.878 0.277 1.00 0.00 O ATOM 477 CB GLN A 35 14.781 5.875 -0.547 1.00 0.00 C ATOM 478 CG GLN A 35 15.686 4.661 -0.342 1.00 0.00 C ATOM 479 CD GLN A 35 15.458 3.891 0.951 1.00 0.00 C ATOM 480 OE1 GLN A 35 15.735 4.355 2.048 1.00 0.00 O ATOM 481 NE2 GLN A 35 14.962 2.682 0.857 1.00 0.00 N ATOM 0 H GLN A 35 13.404 4.123 -1.704 1.00 0.00 H new ATOM 0 HA GLN A 35 13.147 5.375 0.788 1.00 0.00 H new ATOM 0 HB2 GLN A 35 14.885 6.213 -1.578 1.00 0.00 H new ATOM 0 HB3 GLN A 35 15.139 6.683 0.091 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.547 3.979 -1.181 1.00 0.00 H new ATOM 0 HG3 GLN A 35 16.724 4.993 -0.370 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.731 2.295 -0.058 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.807 2.128 1.699 1.00 0.00 H new ATOM 488 N ALA A 36 11.933 7.059 -1.735 1.00 0.00 N ATOM 489 CA ALA A 36 11.093 8.172 -2.165 1.00 0.00 C ATOM 490 C ALA A 36 9.614 7.983 -1.763 1.00 0.00 C ATOM 491 O ALA A 36 8.979 8.950 -1.349 1.00 0.00 O ATOM 492 CB ALA A 36 11.255 8.305 -3.684 1.00 0.00 C ATOM 0 H ALA A 36 12.009 6.328 -2.442 1.00 0.00 H new ATOM 0 HA ALA A 36 11.410 9.087 -1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.640 9.130 -4.045 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.300 8.500 -3.923 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.940 7.380 -4.166 1.00 0.00 H new ATOM 498 N ALA A 37 9.058 6.769 -1.868 1.00 0.00 N ATOM 499 CA ALA A 37 7.639 6.506 -1.601 1.00 0.00 C ATOM 500 C ALA A 37 7.327 6.310 -0.101 1.00 0.00 C ATOM 501 O ALA A 37 6.235 6.651 0.348 1.00 0.00 O ATOM 502 CB ALA A 37 7.201 5.294 -2.426 1.00 0.00 C ATOM 0 H ALA A 37 9.583 5.938 -2.142 1.00 0.00 H new ATOM 0 HA ALA A 37 7.069 7.386 -1.899 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.148 5.087 -2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.345 5.504 -3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.798 4.427 -2.143 1.00 0.00 H new ATOM 508 N GLN A 38 8.273 5.796 0.691 1.00 0.00 N ATOM 509 CA GLN A 38 8.104 5.578 2.134 1.00 0.00 C ATOM 510 C GLN A 38 7.766 6.871 2.903 1.00 0.00 C ATOM 511 O GLN A 38 6.738 6.878 3.587 1.00 0.00 O ATOM 512 CB GLN A 38 9.359 4.905 2.714 1.00 0.00 C ATOM 513 CG GLN A 38 9.410 3.387 2.490 1.00 0.00 C ATOM 514 CD GLN A 38 10.688 2.778 3.079 1.00 0.00 C ATOM 515 OE1 GLN A 38 11.760 2.816 2.483 1.00 0.00 O ATOM 516 NE2 GLN A 38 10.636 2.210 4.270 1.00 0.00 N ATOM 0 H GLN A 38 9.191 5.515 0.345 1.00 0.00 H new ATOM 0 HA GLN A 38 7.247 4.917 2.262 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.243 5.359 2.265 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.406 5.106 3.784 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.538 2.920 2.948 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.362 3.173 1.422 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.752 2.171 4.778 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.479 1.811 4.682 1.00 0.00 H new ATOM 523 N PRO A 39 8.552 7.966 2.791 1.00 0.00 N ATOM 524 CA PRO A 39 8.204 9.234 3.426 1.00 0.00 C ATOM 525 C PRO A 39 6.983 9.899 2.762 1.00 0.00 C ATOM 526 O PRO A 39 6.334 10.728 3.390 1.00 0.00 O ATOM 527 CB PRO A 39 9.460 10.109 3.314 1.00 0.00 C ATOM 528 CG PRO A 39 10.131 9.598 2.041 1.00 0.00 C ATOM 529 CD PRO A 39 9.825 8.103 2.084 1.00 0.00 C ATOM 0 HA PRO A 39 7.911 9.086 4.466 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.208 11.167 3.239 1.00 0.00 H new ATOM 0 HB3 PRO A 39 10.108 9.996 4.183 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.721 10.071 1.148 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.203 9.793 2.041 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.757 7.691 1.077 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.617 7.559 2.599 1.00 0.00 H new ATOM 534 N LEU A 40 6.619 9.509 1.534 1.00 0.00 N ATOM 535 CA LEU A 40 5.412 9.980 0.854 1.00 0.00 C ATOM 536 C LEU A 40 4.178 9.461 1.593 1.00 0.00 C ATOM 537 O LEU A 40 3.366 10.260 2.075 1.00 0.00 O ATOM 538 CB LEU A 40 5.416 9.481 -0.607 1.00 0.00 C ATOM 539 CG LEU A 40 5.066 10.489 -1.703 1.00 0.00 C ATOM 540 CD1 LEU A 40 3.834 11.320 -1.356 1.00 0.00 C ATOM 541 CD2 LEU A 40 6.243 11.411 -2.047 1.00 0.00 C ATOM 0 H LEU A 40 7.164 8.848 0.980 1.00 0.00 H new ATOM 0 HA LEU A 40 5.389 11.070 0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.407 9.082 -0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.715 8.650 -0.679 1.00 0.00 H new ATOM 0 HG LEU A 40 4.835 9.892 -2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.627 12.020 -2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.977 10.660 -1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.016 11.874 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.943 12.107 -2.830 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.540 11.969 -1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.084 10.812 -2.397 1.00 0.00 H new ATOM 552 N LEU A 41 4.085 8.133 1.732 1.00 0.00 N ATOM 553 CA LEU A 41 2.984 7.461 2.422 1.00 0.00 C ATOM 554 C LEU A 41 2.910 7.950 3.862 1.00 0.00 C ATOM 555 O LEU A 41 1.822 8.268 4.321 1.00 0.00 O ATOM 556 CB LEU A 41 3.124 5.921 2.364 1.00 0.00 C ATOM 557 CG LEU A 41 2.468 5.219 1.151 1.00 0.00 C ATOM 558 CD1 LEU A 41 1.007 5.601 0.928 1.00 0.00 C ATOM 559 CD2 LEU A 41 3.304 5.415 -0.112 1.00 0.00 C ATOM 0 H LEU A 41 4.784 7.488 1.362 1.00 0.00 H new ATOM 0 HA LEU A 41 2.054 7.712 1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.185 5.673 2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.694 5.504 3.275 1.00 0.00 H new ATOM 0 HG LEU A 41 2.450 4.156 1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.620 5.067 0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.423 5.334 1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.934 6.675 0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.821 4.912 -0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.391 6.480 -0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.298 4.994 0.040 1.00 0.00 H new ATOM 570 N ALA A 42 4.043 8.092 4.542 1.00 0.00 N ATOM 571 CA ALA A 42 4.109 8.620 5.911 1.00 0.00 C ATOM 572 C ALA A 42 3.497 10.035 6.035 1.00 0.00 C ATOM 573 O ALA A 42 2.798 10.317 7.014 1.00 0.00 O ATOM 574 CB ALA A 42 5.571 8.580 6.374 1.00 0.00 C ATOM 0 H ALA A 42 4.955 7.842 4.159 1.00 0.00 H new ATOM 0 HA ALA A 42 3.502 7.992 6.563 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.642 8.969 7.390 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.931 7.551 6.353 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.180 9.192 5.708 1.00 0.00 H new ATOM 580 N GLU A 43 3.712 10.905 5.041 1.00 0.00 N ATOM 581 CA GLU A 43 3.146 12.258 5.018 1.00 0.00 C ATOM 582 C GLU A 43 1.634 12.243 4.763 1.00 0.00 C ATOM 583 O GLU A 43 0.901 12.918 5.487 1.00 0.00 O ATOM 584 CB GLU A 43 3.853 13.126 3.972 1.00 0.00 C ATOM 585 CG GLU A 43 5.244 13.576 4.426 1.00 0.00 C ATOM 586 CD GLU A 43 5.184 14.763 5.400 1.00 0.00 C ATOM 587 OE1 GLU A 43 5.024 15.919 4.941 1.00 0.00 O ATOM 588 OE2 GLU A 43 5.321 14.553 6.629 1.00 0.00 O ATOM 0 H GLU A 43 4.286 10.689 4.226 1.00 0.00 H new ATOM 0 HA GLU A 43 3.310 12.691 6.005 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.942 12.567 3.041 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.242 14.003 3.760 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.755 12.741 4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.836 13.854 3.554 1.00 0.00 H new ATOM 593 N VAL A 44 1.135 11.472 3.783 1.00 0.00 N ATOM 594 CA VAL A 44 -0.320 11.361 3.530 1.00 0.00 C ATOM 595 C VAL A 44 -1.058 10.682 4.693 1.00 0.00 C ATOM 596 O VAL A 44 -2.030 11.243 5.192 1.00 0.00 O ATOM 597 CB VAL A 44 -0.663 10.717 2.162 1.00 0.00 C ATOM 598 CG1 VAL A 44 0.059 9.427 1.838 1.00 0.00 C ATOM 599 CG2 VAL A 44 -2.152 10.419 2.019 1.00 0.00 C ATOM 0 H VAL A 44 1.712 10.916 3.152 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.687 12.385 3.470 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.326 11.484 1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.259 9.068 0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.134 9.605 1.828 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.178 8.678 2.593 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.341 9.969 1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.462 9.729 2.804 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.719 11.346 2.107 1.00 0.00 H new ATOM 609 N PHE A 45 -0.580 9.521 5.168 1.00 0.00 N ATOM 610 CA PHE A 45 -1.205 8.733 6.246 1.00 0.00 C ATOM 611 C PHE A 45 -1.395 9.523 7.547 1.00 0.00 C ATOM 612 O PHE A 45 -2.306 9.214 8.318 1.00 0.00 O ATOM 613 CB PHE A 45 -0.395 7.454 6.561 1.00 0.00 C ATOM 614 CG PHE A 45 -0.926 6.169 5.957 1.00 0.00 C ATOM 615 CD1 PHE A 45 -2.123 5.627 6.457 1.00 0.00 C ATOM 616 CD2 PHE A 45 -0.206 5.463 4.975 1.00 0.00 C ATOM 617 CE1 PHE A 45 -2.588 4.392 5.973 1.00 0.00 C ATOM 618 CE2 PHE A 45 -0.664 4.221 4.510 1.00 0.00 C ATOM 619 CZ PHE A 45 -1.868 3.692 4.997 1.00 0.00 C ATOM 0 H PHE A 45 0.272 9.093 4.806 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.190 8.467 5.863 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.628 7.600 6.214 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.350 7.333 7.643 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.684 6.158 7.211 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.707 5.881 4.576 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.509 3.979 6.357 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.090 3.673 3.778 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.238 2.750 4.621 1.00 0.00 H new ATOM 628 N SER A 46 -0.591 10.558 7.794 1.00 0.00 N ATOM 629 CA SER A 46 -0.732 11.430 8.970 1.00 0.00 C ATOM 630 C SER A 46 -2.062 12.211 9.000 1.00 0.00 C ATOM 631 O SER A 46 -2.482 12.636 10.079 1.00 0.00 O ATOM 632 CB SER A 46 0.451 12.406 9.048 1.00 0.00 C ATOM 633 OG SER A 46 1.677 11.739 9.314 1.00 0.00 O ATOM 0 H SER A 46 0.182 10.820 7.182 1.00 0.00 H new ATOM 0 HA SER A 46 -0.737 10.774 9.841 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.532 12.952 8.108 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.262 13.142 9.829 1.00 0.00 H new ATOM 0 HG SER A 46 1.995 11.301 8.497 1.00 0.00 H new ATOM 638 N ASP A 47 -2.757 12.380 7.861 1.00 0.00 N ATOM 639 CA ASP A 47 -4.095 12.986 7.780 1.00 0.00 C ATOM 640 C ASP A 47 -5.231 11.942 7.686 1.00 0.00 C ATOM 641 O ASP A 47 -6.404 12.286 7.847 1.00 0.00 O ATOM 642 CB ASP A 47 -4.131 13.944 6.580 1.00 0.00 C ATOM 643 CG ASP A 47 -5.299 14.939 6.674 1.00 0.00 C ATOM 644 OD1 ASP A 47 -5.355 15.706 7.670 1.00 0.00 O ATOM 645 OD2 ASP A 47 -6.131 15.005 5.738 1.00 0.00 O ATOM 0 H ASP A 47 -2.395 12.092 6.952 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.273 13.532 8.707 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.191 14.493 6.525 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.218 13.368 5.659 1.00 0.00 H new ATOM 649 N TYR A 48 -4.893 10.661 7.463 1.00 0.00 N ATOM 650 CA TYR A 48 -5.833 9.530 7.361 1.00 0.00 C ATOM 651 C TYR A 48 -5.483 8.330 8.285 1.00 0.00 C ATOM 652 O TYR A 48 -5.506 7.178 7.823 1.00 0.00 O ATOM 653 CB TYR A 48 -5.966 9.096 5.887 1.00 0.00 C ATOM 654 CG TYR A 48 -6.204 10.234 4.906 1.00 0.00 C ATOM 655 CD1 TYR A 48 -7.498 10.744 4.690 1.00 0.00 C ATOM 656 CD2 TYR A 48 -5.113 10.821 4.246 1.00 0.00 C ATOM 657 CE1 TYR A 48 -7.700 11.841 3.833 1.00 0.00 C ATOM 658 CE2 TYR A 48 -5.297 11.962 3.443 1.00 0.00 C ATOM 659 CZ TYR A 48 -6.591 12.478 3.229 1.00 0.00 C ATOM 660 OH TYR A 48 -6.765 13.589 2.460 1.00 0.00 O ATOM 0 H TYR A 48 -3.922 10.373 7.344 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.797 9.885 7.724 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.059 8.567 5.595 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.789 8.386 5.805 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.343 10.289 5.186 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.127 10.395 4.355 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.701 12.196 3.636 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.444 12.444 2.989 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.896 13.895 2.126 1.00 0.00 H new ATOM 669 N PRO A 49 -5.192 8.543 9.591 1.00 0.00 N ATOM 670 CA PRO A 49 -4.730 7.480 10.492 1.00 0.00 C ATOM 671 C PRO A 49 -5.757 6.355 10.715 1.00 0.00 C ATOM 672 O PRO A 49 -5.373 5.267 11.144 1.00 0.00 O ATOM 673 CB PRO A 49 -4.373 8.185 11.809 1.00 0.00 C ATOM 674 CG PRO A 49 -5.256 9.429 11.801 1.00 0.00 C ATOM 675 CD PRO A 49 -5.288 9.803 10.319 1.00 0.00 C ATOM 0 HA PRO A 49 -3.877 6.965 10.050 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.580 7.552 12.672 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.315 8.444 11.851 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.253 9.221 12.189 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.837 10.228 12.412 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.208 10.331 10.068 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.461 10.466 10.065 1.00 0.00 H new ATOM 680 N GLU A 50 -7.040 6.574 10.392 1.00 0.00 N ATOM 681 CA GLU A 50 -8.074 5.532 10.403 1.00 0.00 C ATOM 682 C GLU A 50 -7.916 4.467 9.294 1.00 0.00 C ATOM 683 O GLU A 50 -8.551 3.413 9.366 1.00 0.00 O ATOM 684 CB GLU A 50 -9.464 6.185 10.348 1.00 0.00 C ATOM 685 CG GLU A 50 -9.804 6.868 9.015 1.00 0.00 C ATOM 686 CD GLU A 50 -11.174 7.554 9.104 1.00 0.00 C ATOM 687 OE1 GLU A 50 -12.210 6.887 8.867 1.00 0.00 O ATOM 688 OE2 GLU A 50 -11.225 8.765 9.417 1.00 0.00 O ATOM 0 H GLU A 50 -7.391 7.490 10.113 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.954 4.984 11.338 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.216 5.423 10.551 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.535 6.923 11.147 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.037 7.602 8.768 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.810 6.131 8.212 1.00 0.00 H new ATOM 693 N VAL A 51 -7.084 4.716 8.272 1.00 0.00 N ATOM 694 CA VAL A 51 -6.699 3.721 7.248 1.00 0.00 C ATOM 695 C VAL A 51 -5.553 2.853 7.803 1.00 0.00 C ATOM 696 O VAL A 51 -4.642 3.363 8.461 1.00 0.00 O ATOM 697 CB VAL A 51 -6.300 4.414 5.914 1.00 0.00 C ATOM 698 CG1 VAL A 51 -5.942 3.431 4.787 1.00 0.00 C ATOM 699 CG2 VAL A 51 -7.425 5.324 5.397 1.00 0.00 C ATOM 0 H VAL A 51 -6.650 5.628 8.127 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.552 3.081 7.023 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.411 4.993 6.163 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.675 3.988 3.889 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.098 2.815 5.096 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.799 2.792 4.575 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.114 5.793 4.464 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.322 4.730 5.223 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.638 6.095 6.137 1.00 0.00 H new ATOM 709 N GLY A 52 -5.582 1.542 7.528 1.00 0.00 N ATOM 710 CA GLY A 52 -4.508 0.592 7.869 1.00 0.00 C ATOM 711 C GLY A 52 -3.469 0.465 6.754 1.00 0.00 C ATOM 712 O GLY A 52 -3.795 0.688 5.591 1.00 0.00 O ATOM 0 H GLY A 52 -6.369 1.100 7.052 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.016 0.917 8.786 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.943 -0.387 8.071 1.00 0.00 H new ATOM 716 N HIS A 53 -2.233 0.074 7.075 1.00 0.00 N ATOM 717 CA HIS A 53 -1.180 -0.171 6.082 1.00 0.00 C ATOM 718 C HIS A 53 -0.530 -1.556 6.271 1.00 0.00 C ATOM 719 O HIS A 53 -0.185 -1.922 7.399 1.00 0.00 O ATOM 720 CB HIS A 53 -0.105 0.932 6.178 1.00 0.00 C ATOM 721 CG HIS A 53 0.692 1.169 4.909 1.00 0.00 C ATOM 722 ND1 HIS A 53 1.895 1.843 4.811 1.00 0.00 N ATOM 723 CD2 HIS A 53 0.303 0.896 3.623 1.00 0.00 C ATOM 724 CE1 HIS A 53 2.203 1.973 3.505 1.00 0.00 C ATOM 725 NE2 HIS A 53 1.244 1.425 2.749 1.00 0.00 N ATOM 0 H HIS A 53 -1.931 -0.083 8.037 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.640 -0.152 5.094 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.590 1.866 6.463 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.587 0.674 6.980 1.00 0.00 H new ATOM 0 HD1 HIS A 53 2.454 2.184 5.593 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.589 0.358 3.337 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.094 2.450 3.124 1.00 0.00 H new ATOM 733 N LEU A 54 -0.331 -2.307 5.181 1.00 0.00 N ATOM 734 CA LEU A 54 0.415 -3.568 5.160 1.00 0.00 C ATOM 735 C LEU A 54 1.658 -3.390 4.271 1.00 0.00 C ATOM 736 O LEU A 54 1.560 -3.320 3.046 1.00 0.00 O ATOM 737 CB LEU A 54 -0.522 -4.709 4.683 1.00 0.00 C ATOM 738 CG LEU A 54 -0.154 -6.133 5.157 1.00 0.00 C ATOM 739 CD1 LEU A 54 1.324 -6.490 4.950 1.00 0.00 C ATOM 740 CD2 LEU A 54 -0.530 -6.335 6.635 1.00 0.00 C ATOM 0 H LEU A 54 -0.695 -2.046 4.265 1.00 0.00 H new ATOM 0 HA LEU A 54 0.764 -3.843 6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.534 -4.486 5.021 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.541 -4.704 3.593 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.736 -6.808 4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.507 -7.504 5.306 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.568 -6.428 3.889 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.948 -5.792 5.507 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.261 -7.345 6.944 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.007 -5.612 7.249 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.603 -6.191 6.760 1.00 0.00 H new ATOM 751 N LYS A 55 2.841 -3.339 4.887 1.00 0.00 N ATOM 752 CA LYS A 55 4.132 -3.276 4.187 1.00 0.00 C ATOM 753 C LYS A 55 4.630 -4.672 3.774 1.00 0.00 C ATOM 754 O LYS A 55 5.278 -5.367 4.567 1.00 0.00 O ATOM 755 CB LYS A 55 5.159 -2.574 5.091 1.00 0.00 C ATOM 756 CG LYS A 55 5.144 -1.057 4.907 1.00 0.00 C ATOM 757 CD LYS A 55 5.899 -0.290 5.996 1.00 0.00 C ATOM 758 CE LYS A 55 5.212 -0.426 7.364 1.00 0.00 C ATOM 759 NZ LYS A 55 5.836 0.482 8.350 1.00 0.00 N ATOM 0 H LYS A 55 2.934 -3.340 5.903 1.00 0.00 H new ATOM 0 HA LYS A 55 4.001 -2.706 3.267 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.948 -2.815 6.133 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.156 -2.956 4.871 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.580 -0.815 3.938 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.110 -0.714 4.886 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.921 -0.663 6.063 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.962 0.763 5.723 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.151 -0.195 7.269 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.284 -1.456 7.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.600 0.165 9.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.869 0.473 8.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.479 1.448 8.207 1.00 0.00 H new ATOM 769 N VAL A 56 4.382 -5.060 2.525 1.00 0.00 N ATOM 770 CA VAL A 56 4.802 -6.344 1.935 1.00 0.00 C ATOM 771 C VAL A 56 6.206 -6.216 1.374 1.00 0.00 C ATOM 772 O VAL A 56 6.441 -5.488 0.408 1.00 0.00 O ATOM 773 CB VAL A 56 3.833 -6.801 0.820 1.00 0.00 C ATOM 774 CG1 VAL A 56 4.185 -8.217 0.326 1.00 0.00 C ATOM 775 CG2 VAL A 56 2.361 -6.786 1.268 1.00 0.00 C ATOM 0 H VAL A 56 3.866 -4.475 1.868 1.00 0.00 H new ATOM 0 HA VAL A 56 4.786 -7.097 2.723 1.00 0.00 H new ATOM 0 HB VAL A 56 3.952 -6.082 0.010 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.488 -8.513 -0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.200 -8.222 -0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.117 -8.920 1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.727 -7.116 0.445 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.232 -7.457 2.117 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.080 -5.774 1.560 1.00 0.00 H new ATOM 785 N GLU A 57 7.135 -6.932 2.002 1.00 0.00 N ATOM 786 CA GLU A 57 8.492 -7.062 1.506 1.00 0.00 C ATOM 787 C GLU A 57 8.502 -7.970 0.263 1.00 0.00 C ATOM 788 O GLU A 57 8.233 -9.171 0.351 1.00 0.00 O ATOM 789 CB GLU A 57 9.430 -7.569 2.605 1.00 0.00 C ATOM 790 CG GLU A 57 10.844 -7.119 2.281 1.00 0.00 C ATOM 791 CD GLU A 57 11.862 -7.648 3.304 1.00 0.00 C ATOM 792 OE1 GLU A 57 11.881 -7.152 4.456 1.00 0.00 O ATOM 793 OE2 GLU A 57 12.665 -8.546 2.954 1.00 0.00 O ATOM 0 H GLU A 57 6.962 -7.438 2.871 1.00 0.00 H new ATOM 0 HA GLU A 57 8.865 -6.082 1.209 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.122 -7.179 3.575 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.384 -8.656 2.669 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.116 -7.467 1.285 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.883 -6.030 2.260 1.00 0.00 H new ATOM 798 N ASP A 58 8.780 -7.387 -0.902 1.00 0.00 N ATOM 799 CA ASP A 58 8.748 -8.072 -2.198 1.00 0.00 C ATOM 800 C ASP A 58 10.132 -8.610 -2.606 1.00 0.00 C ATOM 801 O ASP A 58 11.161 -7.964 -2.389 1.00 0.00 O ATOM 802 CB ASP A 58 8.176 -7.124 -3.265 1.00 0.00 C ATOM 803 CG ASP A 58 7.928 -7.867 -4.578 1.00 0.00 C ATOM 804 OD1 ASP A 58 6.869 -8.526 -4.702 1.00 0.00 O ATOM 805 OD2 ASP A 58 8.810 -7.820 -5.464 1.00 0.00 O ATOM 0 H ASP A 58 9.040 -6.403 -0.975 1.00 0.00 H new ATOM 0 HA ASP A 58 8.098 -8.942 -2.109 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.243 -6.688 -2.907 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.869 -6.300 -3.434 1.00 0.00 H new ATOM 809 N GLY A 59 10.152 -9.795 -3.216 1.00 0.00 N ATOM 810 CA GLY A 59 11.362 -10.498 -3.653 1.00 0.00 C ATOM 811 C GLY A 59 11.105 -11.952 -4.079 1.00 0.00 C ATOM 812 O GLY A 59 9.938 -12.362 -4.147 1.00 0.00 O ATOM 0 H GLY A 59 9.298 -10.311 -3.428 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.806 -9.956 -4.488 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.091 -10.488 -2.843 1.00 0.00 H new ATOM 816 N PRO A 60 12.160 -12.747 -4.348 1.00 0.00 N ATOM 817 CA PRO A 60 12.031 -14.162 -4.692 1.00 0.00 C ATOM 818 C PRO A 60 11.440 -14.942 -3.508 1.00 0.00 C ATOM 819 O PRO A 60 11.787 -14.702 -2.348 1.00 0.00 O ATOM 820 CB PRO A 60 13.434 -14.636 -5.083 1.00 0.00 C ATOM 821 CG PRO A 60 14.357 -13.675 -4.329 1.00 0.00 C ATOM 822 CD PRO A 60 13.569 -12.359 -4.320 1.00 0.00 C ATOM 0 HA PRO A 60 11.345 -14.329 -5.523 1.00 0.00 H new ATOM 0 HB2 PRO A 60 13.605 -15.671 -4.788 1.00 0.00 H new ATOM 0 HB3 PRO A 60 13.591 -14.581 -6.160 1.00 0.00 H new ATOM 0 HG2 PRO A 60 14.564 -14.026 -3.318 1.00 0.00 H new ATOM 0 HG3 PRO A 60 15.318 -13.564 -4.831 1.00 0.00 H new ATOM 0 HD2 PRO A 60 13.797 -11.771 -3.431 1.00 0.00 H new ATOM 0 HD3 PRO A 60 13.824 -11.743 -5.183 1.00 0.00 H new ATOM 827 N GLY A 61 10.519 -15.863 -3.812 1.00 0.00 N ATOM 828 CA GLY A 61 9.792 -16.657 -2.811 1.00 0.00 C ATOM 829 C GLY A 61 8.577 -15.950 -2.193 1.00 0.00 C ATOM 830 O GLY A 61 7.933 -16.531 -1.317 1.00 0.00 O ATOM 0 H GLY A 61 10.253 -16.082 -4.772 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.458 -17.585 -3.275 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.482 -16.930 -2.012 1.00 0.00 H new ATOM 834 N ARG A 62 8.255 -14.719 -2.610 1.00 0.00 N ATOM 835 CA ARG A 62 7.059 -13.960 -2.203 1.00 0.00 C ATOM 836 C ARG A 62 6.141 -13.726 -3.417 1.00 0.00 C ATOM 837 O ARG A 62 6.595 -13.271 -4.472 1.00 0.00 O ATOM 838 CB ARG A 62 7.468 -12.614 -1.557 1.00 0.00 C ATOM 839 CG ARG A 62 8.364 -12.709 -0.310 1.00 0.00 C ATOM 840 CD ARG A 62 7.669 -13.238 0.960 1.00 0.00 C ATOM 841 NE ARG A 62 7.459 -14.697 0.910 1.00 0.00 N ATOM 842 CZ ARG A 62 6.854 -15.464 1.810 1.00 0.00 C ATOM 843 NH1 ARG A 62 6.380 -14.991 2.942 1.00 0.00 N ATOM 844 NH2 ARG A 62 6.721 -16.746 1.549 1.00 0.00 N ATOM 0 H ARG A 62 8.841 -14.202 -3.265 1.00 0.00 H new ATOM 0 HA ARG A 62 6.510 -14.540 -1.462 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.986 -12.016 -2.307 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.561 -12.072 -1.288 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.210 -13.358 -0.539 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.769 -11.720 -0.098 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.272 -12.989 1.833 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.708 -12.738 1.082 1.00 0.00 H new ATOM 0 HE ARG A 62 7.822 -15.174 0.085 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.470 -13.998 3.157 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.922 -15.617 3.605 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.078 -17.128 0.673 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.261 -17.358 2.222 1.00 0.00 H new ATOM 855 N ARG A 63 4.851 -14.053 -3.267 1.00 0.00 N ATOM 856 CA ARG A 63 3.878 -14.178 -4.376 1.00 0.00 C ATOM 857 C ARG A 63 2.778 -13.100 -4.380 1.00 0.00 C ATOM 858 O ARG A 63 2.138 -12.899 -5.414 1.00 0.00 O ATOM 859 CB ARG A 63 3.287 -15.611 -4.320 1.00 0.00 C ATOM 860 CG ARG A 63 3.160 -16.320 -5.679 1.00 0.00 C ATOM 861 CD ARG A 63 1.945 -15.901 -6.514 1.00 0.00 C ATOM 862 NE ARG A 63 1.872 -16.666 -7.770 1.00 0.00 N ATOM 863 CZ ARG A 63 1.004 -16.468 -8.758 1.00 0.00 C ATOM 864 NH1 ARG A 63 0.062 -15.548 -8.697 1.00 0.00 N ATOM 865 NH2 ARG A 63 1.076 -17.206 -9.848 1.00 0.00 N ATOM 0 H ARG A 63 4.439 -14.244 -2.354 1.00 0.00 H new ATOM 0 HA ARG A 63 4.404 -14.010 -5.316 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.913 -16.220 -3.668 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.300 -15.562 -3.860 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.064 -16.129 -6.258 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.112 -17.395 -5.508 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.033 -16.056 -5.937 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.004 -14.836 -6.737 1.00 0.00 H new ATOM 0 HE ARG A 63 2.550 -17.418 -7.894 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.020 -14.956 -7.870 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.585 -15.428 -9.477 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.795 -17.925 -9.931 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.413 -17.058 -10.609 1.00 0.00 H new ATOM 876 N LEU A 64 2.556 -12.376 -3.277 1.00 0.00 N ATOM 877 CA LEU A 64 1.377 -11.509 -3.102 1.00 0.00 C ATOM 878 C LEU A 64 1.276 -10.433 -4.197 1.00 0.00 C ATOM 879 O LEU A 64 0.234 -10.342 -4.843 1.00 0.00 O ATOM 880 CB LEU A 64 1.381 -10.936 -1.669 1.00 0.00 C ATOM 881 CG LEU A 64 0.091 -10.205 -1.234 1.00 0.00 C ATOM 882 CD1 LEU A 64 -1.152 -11.105 -1.367 1.00 0.00 C ATOM 883 CD2 LEU A 64 0.229 -9.754 0.225 1.00 0.00 C ATOM 0 H LEU A 64 3.188 -12.372 -2.477 1.00 0.00 H new ATOM 0 HA LEU A 64 0.471 -12.102 -3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.566 -11.753 -0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.217 -10.243 -1.577 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.042 -9.346 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.037 -10.552 -1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.269 -11.413 -2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.031 -11.987 -0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.680 -9.238 0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.386 -10.625 0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.079 -9.078 0.318 1.00 0.00 H new ATOM 894 N GLY A 65 2.359 -9.702 -4.495 1.00 0.00 N ATOM 895 CA GLY A 65 2.368 -8.646 -5.529 1.00 0.00 C ATOM 896 C GLY A 65 2.175 -9.168 -6.959 1.00 0.00 C ATOM 897 O GLY A 65 1.618 -8.458 -7.799 1.00 0.00 O ATOM 0 H GLY A 65 3.257 -9.823 -4.028 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.579 -7.928 -5.306 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.314 -8.107 -5.475 1.00 0.00 H new ATOM 901 N ARG A 66 2.558 -10.425 -7.222 1.00 0.00 N ATOM 902 CA ARG A 66 2.247 -11.119 -8.474 1.00 0.00 C ATOM 903 C ARG A 66 0.756 -11.470 -8.559 1.00 0.00 C ATOM 904 O ARG A 66 0.149 -11.254 -9.604 1.00 0.00 O ATOM 905 CB ARG A 66 3.158 -12.352 -8.617 1.00 0.00 C ATOM 906 CG ARG A 66 2.991 -13.050 -9.976 1.00 0.00 C ATOM 907 CD ARG A 66 3.969 -14.223 -10.119 1.00 0.00 C ATOM 908 NE ARG A 66 3.825 -14.901 -11.417 1.00 0.00 N ATOM 909 CZ ARG A 66 4.395 -14.557 -12.568 1.00 0.00 C ATOM 910 NH1 ARG A 66 5.188 -13.510 -12.676 1.00 0.00 N ATOM 911 NH2 ARG A 66 4.166 -15.277 -13.652 1.00 0.00 N ATOM 0 H ARG A 66 3.096 -10.991 -6.566 1.00 0.00 H new ATOM 0 HA ARG A 66 2.447 -10.456 -9.316 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.198 -12.049 -8.493 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.935 -13.060 -7.818 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.968 -13.411 -10.079 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.159 -12.333 -10.780 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.991 -13.859 -10.011 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.798 -14.938 -9.315 1.00 0.00 H new ATOM 0 HE ARG A 66 3.223 -15.724 -11.436 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.383 -12.931 -11.859 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.607 -13.278 -13.577 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.555 -16.092 -13.603 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.601 -15.018 -14.538 1.00 0.00 H new ATOM 922 N SER A 67 0.133 -11.898 -7.465 1.00 0.00 N ATOM 923 CA SER A 67 -1.318 -12.165 -7.382 1.00 0.00 C ATOM 924 C SER A 67 -2.178 -10.889 -7.284 1.00 0.00 C ATOM 925 O SER A 67 -3.393 -10.944 -7.485 1.00 0.00 O ATOM 926 CB SER A 67 -1.608 -13.072 -6.177 1.00 0.00 C ATOM 927 OG SER A 67 -0.861 -14.279 -6.240 1.00 0.00 O ATOM 0 H SER A 67 0.623 -12.076 -6.588 1.00 0.00 H new ATOM 0 HA SER A 67 -1.595 -12.657 -8.314 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.367 -12.542 -5.255 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.673 -13.303 -6.143 1.00 0.00 H new ATOM 0 HG SER A 67 -1.429 -14.997 -6.590 1.00 0.00 H new ATOM 932 N PHE A 68 -1.555 -9.733 -7.026 1.00 0.00 N ATOM 933 CA PHE A 68 -2.131 -8.408 -7.278 1.00 0.00 C ATOM 934 C PHE A 68 -1.869 -7.889 -8.694 1.00 0.00 C ATOM 935 O PHE A 68 -2.481 -6.896 -9.090 1.00 0.00 O ATOM 936 CB PHE A 68 -1.612 -7.411 -6.237 1.00 0.00 C ATOM 937 CG PHE A 68 -2.468 -7.375 -4.997 1.00 0.00 C ATOM 938 CD1 PHE A 68 -3.637 -6.600 -4.975 1.00 0.00 C ATOM 939 CD2 PHE A 68 -2.101 -8.119 -3.869 1.00 0.00 C ATOM 940 CE1 PHE A 68 -4.439 -6.576 -3.824 1.00 0.00 C ATOM 941 CE2 PHE A 68 -2.875 -8.065 -2.703 1.00 0.00 C ATOM 942 CZ PHE A 68 -4.059 -7.307 -2.685 1.00 0.00 C ATOM 0 H PHE A 68 -0.617 -9.692 -6.628 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.212 -8.511 -7.190 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.591 -7.676 -5.962 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.575 -6.415 -6.679 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.919 -6.023 -5.843 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.216 -8.738 -3.898 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.349 -5.995 -3.813 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.563 -8.604 -1.820 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.675 -7.286 -1.798 1.00 0.00 H new ATOM 951 N GLN A 69 -0.988 -8.541 -9.460 1.00 0.00 N ATOM 952 CA GLN A 69 -0.597 -8.142 -10.814 1.00 0.00 C ATOM 953 C GLN A 69 -0.062 -6.694 -10.803 1.00 0.00 C ATOM 954 O GLN A 69 -0.486 -5.838 -11.583 1.00 0.00 O ATOM 955 CB GLN A 69 -1.740 -8.409 -11.815 1.00 0.00 C ATOM 956 CG GLN A 69 -2.089 -9.904 -11.958 1.00 0.00 C ATOM 957 CD GLN A 69 -2.897 -10.557 -10.829 1.00 0.00 C ATOM 958 OE1 GLN A 69 -2.745 -11.736 -10.537 1.00 0.00 O ATOM 959 NE2 GLN A 69 -3.788 -9.870 -10.146 1.00 0.00 N ATOM 0 H GLN A 69 -0.513 -9.387 -9.144 1.00 0.00 H new ATOM 0 HA GLN A 69 0.230 -8.758 -11.167 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.628 -7.865 -11.495 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.459 -8.014 -12.791 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.646 -10.031 -12.886 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.156 -10.458 -12.067 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.945 -8.885 -10.359 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.322 -10.323 -9.404 1.00 0.00 H new ATOM 966 N VAL A 70 0.847 -6.411 -9.857 1.00 0.00 N ATOM 967 CA VAL A 70 1.521 -5.109 -9.677 1.00 0.00 C ATOM 968 C VAL A 70 2.229 -4.673 -10.971 1.00 0.00 C ATOM 969 O VAL A 70 2.885 -5.478 -11.635 1.00 0.00 O ATOM 970 CB VAL A 70 2.493 -5.174 -8.468 1.00 0.00 C ATOM 971 CG1 VAL A 70 3.557 -4.068 -8.466 1.00 0.00 C ATOM 972 CG2 VAL A 70 1.695 -5.109 -7.159 1.00 0.00 C ATOM 0 H VAL A 70 1.146 -7.104 -9.171 1.00 0.00 H new ATOM 0 HA VAL A 70 0.772 -4.348 -9.458 1.00 0.00 H new ATOM 0 HB VAL A 70 3.026 -6.121 -8.557 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.197 -4.181 -7.591 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.161 -4.143 -9.370 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.069 -3.094 -8.435 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.380 -5.155 -6.313 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.133 -4.176 -7.121 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.004 -5.950 -7.112 1.00 0.00 H new ATOM 982 N LYS A 71 2.074 -3.388 -11.323 1.00 0.00 N ATOM 983 CA LYS A 71 2.547 -2.791 -12.579 1.00 0.00 C ATOM 984 C LYS A 71 4.032 -2.391 -12.469 1.00 0.00 C ATOM 985 O LYS A 71 4.914 -3.242 -12.629 1.00 0.00 O ATOM 986 CB LYS A 71 1.619 -1.626 -12.991 1.00 0.00 C ATOM 987 CG LYS A 71 0.318 -2.070 -13.655 1.00 0.00 C ATOM 988 CD LYS A 71 -0.796 -2.375 -12.645 1.00 0.00 C ATOM 989 CE LYS A 71 -1.921 -3.174 -13.296 1.00 0.00 C ATOM 990 NZ LYS A 71 -2.723 -2.372 -14.268 1.00 0.00 N ATOM 0 H LYS A 71 1.600 -2.715 -10.721 1.00 0.00 H new ATOM 0 HA LYS A 71 2.498 -3.528 -13.380 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.380 -1.036 -12.106 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.158 -0.971 -13.675 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.021 -1.290 -14.337 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.508 -2.958 -14.257 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.386 -2.935 -11.805 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.193 -1.443 -12.243 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.496 -4.037 -13.809 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.582 -3.559 -12.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.471 -2.968 -14.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.155 -1.563 -13.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.103 -2.026 -15.028 1.00 0.00 H new ATOM 1000 N LEU A 72 4.317 -1.113 -12.185 1.00 0.00 N ATOM 1001 CA LEU A 72 5.646 -0.685 -11.747 1.00 0.00 C ATOM 1002 C LEU A 72 5.835 -1.152 -10.306 1.00 0.00 C ATOM 1003 O LEU A 72 4.890 -1.145 -9.514 1.00 0.00 O ATOM 1004 CB LEU A 72 5.807 0.845 -11.884 1.00 0.00 C ATOM 1005 CG LEU A 72 7.279 1.291 -11.966 1.00 0.00 C ATOM 1006 CD1 LEU A 72 7.870 1.009 -13.355 1.00 0.00 C ATOM 1007 CD2 LEU A 72 7.401 2.788 -11.663 1.00 0.00 C ATOM 0 H LEU A 72 3.637 -0.355 -12.252 1.00 0.00 H new ATOM 0 HA LEU A 72 6.417 -1.129 -12.377 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.281 1.181 -12.777 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.332 1.332 -11.032 1.00 0.00 H new ATOM 0 HG LEU A 72 7.837 0.719 -11.224 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.910 1.335 -13.381 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.820 -0.060 -13.562 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.301 1.552 -14.110 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.447 3.088 -11.725 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.818 3.355 -12.389 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.025 2.988 -10.660 1.00 0.00 H new ATOM 1018 N TRP A 73 7.046 -1.567 -9.948 1.00 0.00 N ATOM 1019 CA TRP A 73 7.307 -2.207 -8.661 1.00 0.00 C ATOM 1020 C TRP A 73 6.846 -1.415 -7.415 1.00 0.00 C ATOM 1021 O TRP A 73 6.256 -2.052 -6.532 1.00 0.00 O ATOM 1022 CB TRP A 73 8.792 -2.536 -8.620 1.00 0.00 C ATOM 1023 CG TRP A 73 9.204 -3.417 -7.496 1.00 0.00 C ATOM 1024 CD1 TRP A 73 9.046 -4.755 -7.418 1.00 0.00 C ATOM 1025 CD2 TRP A 73 9.863 -3.015 -6.266 1.00 0.00 C ATOM 1026 NE1 TRP A 73 9.579 -5.211 -6.230 1.00 0.00 N ATOM 1027 CE2 TRP A 73 10.132 -4.182 -5.494 1.00 0.00 C ATOM 1028 CE3 TRP A 73 10.265 -1.769 -5.751 1.00 0.00 C ATOM 1029 CZ2 TRP A 73 10.825 -4.120 -4.276 1.00 0.00 C ATOM 1030 CZ3 TRP A 73 10.934 -1.700 -4.516 1.00 0.00 C ATOM 1031 CH2 TRP A 73 11.239 -2.866 -3.799 1.00 0.00 C ATOM 0 H TRP A 73 7.872 -1.470 -10.539 1.00 0.00 H new ATOM 0 HA TRP A 73 6.695 -3.107 -8.602 1.00 0.00 H new ATOM 0 HB2 TRP A 73 9.070 -3.015 -9.559 1.00 0.00 H new ATOM 0 HB3 TRP A 73 9.355 -1.605 -8.558 1.00 0.00 H new ATOM 0 HD1 TRP A 73 8.576 -5.373 -8.169 1.00 0.00 H new ATOM 0 HE1 TRP A 73 9.566 -6.187 -5.933 1.00 0.00 H new ATOM 0 HE3 TRP A 73 10.060 -0.865 -6.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 11.036 -5.019 -3.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 11.216 -0.738 -4.115 1.00 0.00 H new ATOM 0 HH2 TRP A 73 11.795 -2.799 -2.876 1.00 0.00 H new ATOM 1041 N PRO A 74 7.040 -0.076 -7.310 1.00 0.00 N ATOM 1042 CA PRO A 74 6.493 0.710 -6.206 1.00 0.00 C ATOM 1043 C PRO A 74 4.994 1.001 -6.442 1.00 0.00 C ATOM 1044 O PRO A 74 4.618 2.055 -6.965 1.00 0.00 O ATOM 1045 CB PRO A 74 7.344 1.982 -6.137 1.00 0.00 C ATOM 1046 CG PRO A 74 7.714 2.205 -7.604 1.00 0.00 C ATOM 1047 CD PRO A 74 7.900 0.779 -8.123 1.00 0.00 C ATOM 0 HA PRO A 74 6.538 0.180 -5.255 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.786 2.823 -5.726 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.226 1.848 -5.511 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.928 2.733 -8.144 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.624 2.796 -7.707 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.629 0.712 -9.177 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.942 0.470 -8.042 1.00 0.00 H new ATOM 1052 N THR A 75 4.141 0.054 -6.040 1.00 0.00 N ATOM 1053 CA THR A 75 2.674 0.139 -6.098 1.00 0.00 C ATOM 1054 C THR A 75 2.112 -0.171 -4.725 1.00 0.00 C ATOM 1055 O THR A 75 2.656 -0.992 -3.980 1.00 0.00 O ATOM 1056 CB THR A 75 2.109 -0.872 -7.111 1.00 0.00 C ATOM 1057 OG1 THR A 75 2.460 -0.480 -8.412 1.00 0.00 O ATOM 1058 CG2 THR A 75 0.583 -1.009 -7.134 1.00 0.00 C ATOM 0 H THR A 75 4.465 -0.831 -5.649 1.00 0.00 H new ATOM 0 HA THR A 75 2.390 1.144 -6.412 1.00 0.00 H new ATOM 0 HB THR A 75 2.534 -1.824 -6.792 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.353 -0.822 -8.627 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.295 -1.747 -7.883 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.232 -1.331 -6.154 1.00 0.00 H new ATOM 0 HG23 THR A 75 0.135 -0.047 -7.382 1.00 0.00 H new ATOM 1066 N PHE A 76 0.984 0.459 -4.422 1.00 0.00 N ATOM 1067 CA PHE A 76 0.176 0.182 -3.243 1.00 0.00 C ATOM 1068 C PHE A 76 -1.311 0.151 -3.634 1.00 0.00 C ATOM 1069 O PHE A 76 -1.831 1.069 -4.276 1.00 0.00 O ATOM 1070 CB PHE A 76 0.501 1.196 -2.130 1.00 0.00 C ATOM 1071 CG PHE A 76 0.943 2.556 -2.585 1.00 0.00 C ATOM 1072 CD1 PHE A 76 2.279 2.767 -2.991 1.00 0.00 C ATOM 1073 CD2 PHE A 76 0.011 3.599 -2.617 1.00 0.00 C ATOM 1074 CE1 PHE A 76 2.669 4.018 -3.486 1.00 0.00 C ATOM 1075 CE2 PHE A 76 0.420 4.859 -3.066 1.00 0.00 C ATOM 1076 CZ PHE A 76 1.728 5.054 -3.536 1.00 0.00 C ATOM 0 H PHE A 76 0.595 1.198 -5.008 1.00 0.00 H new ATOM 0 HA PHE A 76 0.415 -0.801 -2.838 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.384 1.314 -1.504 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.283 0.774 -1.499 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.999 1.965 -2.920 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.008 3.434 -2.300 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.682 4.181 -3.824 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.274 5.686 -3.051 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.012 6.014 -3.941 1.00 0.00 H new ATOM 1085 N VAL A 77 -1.970 -0.951 -3.269 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.353 -1.288 -3.635 1.00 0.00 C ATOM 1087 C VAL A 77 -4.265 -1.016 -2.446 1.00 0.00 C ATOM 1088 O VAL A 77 -4.034 -1.545 -1.356 1.00 0.00 O ATOM 1089 CB VAL A 77 -3.469 -2.751 -4.128 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -4.883 -3.046 -4.654 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -2.456 -3.038 -5.252 1.00 0.00 C ATOM 0 H VAL A 77 -1.538 -1.666 -2.684 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.666 -0.659 -4.468 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.257 -3.394 -3.274 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.936 -4.080 -4.994 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.608 -2.888 -3.856 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.108 -2.379 -5.486 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.559 -4.073 -5.579 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.646 -2.371 -6.092 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.444 -2.874 -4.881 1.00 0.00 H new ATOM 1101 N PHE A 78 -5.286 -0.184 -2.641 1.00 0.00 N ATOM 1102 CA PHE A 78 -6.275 0.163 -1.616 1.00 0.00 C ATOM 1103 C PHE A 78 -7.386 -0.891 -1.625 1.00 0.00 C ATOM 1104 O PHE A 78 -8.116 -1.052 -2.611 1.00 0.00 O ATOM 1105 CB PHE A 78 -6.836 1.581 -1.847 1.00 0.00 C ATOM 1106 CG PHE A 78 -5.837 2.727 -1.732 1.00 0.00 C ATOM 1107 CD1 PHE A 78 -4.908 2.938 -2.769 1.00 0.00 C ATOM 1108 CD2 PHE A 78 -5.801 3.571 -0.604 1.00 0.00 C ATOM 1109 CE1 PHE A 78 -3.932 3.941 -2.666 1.00 0.00 C ATOM 1110 CE2 PHE A 78 -4.841 4.597 -0.515 1.00 0.00 C ATOM 1111 CZ PHE A 78 -3.909 4.775 -1.548 1.00 0.00 C ATOM 0 H PHE A 78 -5.455 0.279 -3.534 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.799 0.169 -0.635 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -7.283 1.615 -2.840 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.639 1.753 -1.130 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -4.947 2.321 -3.654 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.513 3.430 0.196 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.200 4.067 -3.450 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.822 5.246 0.348 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.171 5.560 -1.478 1.00 0.00 H new ATOM 1120 N LEU A 79 -7.509 -1.612 -0.513 1.00 0.00 N ATOM 1121 CA LEU A 79 -8.554 -2.593 -0.262 1.00 0.00 C ATOM 1122 C LEU A 79 -9.594 -2.002 0.694 1.00 0.00 C ATOM 1123 O LEU A 79 -9.309 -1.141 1.525 1.00 0.00 O ATOM 1124 CB LEU A 79 -7.987 -3.887 0.366 1.00 0.00 C ATOM 1125 CG LEU A 79 -7.164 -4.858 -0.498 1.00 0.00 C ATOM 1126 CD1 LEU A 79 -8.025 -5.721 -1.426 1.00 0.00 C ATOM 1127 CD2 LEU A 79 -6.092 -4.160 -1.318 1.00 0.00 C ATOM 0 H LEU A 79 -6.857 -1.523 0.266 1.00 0.00 H new ATOM 0 HA LEU A 79 -9.008 -2.842 -1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.362 -3.593 1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.829 -4.447 0.773 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.678 -5.512 0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.383 -6.383 -2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.717 -6.317 -0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.589 -5.078 -2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.546 -4.898 -1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.559 -3.437 -1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.401 -3.644 -0.651 1.00 0.00 H new ATOM 1138 N ARG A 80 -10.791 -2.560 0.594 1.00 0.00 N ATOM 1139 CA ARG A 80 -11.943 -2.319 1.467 1.00 0.00 C ATOM 1140 C ARG A 80 -13.004 -3.383 1.175 1.00 0.00 C ATOM 1141 O ARG A 80 -13.184 -3.775 0.025 1.00 0.00 O ATOM 1142 CB ARG A 80 -12.480 -0.883 1.265 1.00 0.00 C ATOM 1143 CG ARG A 80 -13.237 -0.365 2.493 1.00 0.00 C ATOM 1144 CD ARG A 80 -13.535 1.135 2.351 1.00 0.00 C ATOM 1145 NE ARG A 80 -14.169 1.664 3.572 1.00 0.00 N ATOM 1146 CZ ARG A 80 -14.118 2.913 4.026 1.00 0.00 C ATOM 1147 NH1 ARG A 80 -13.449 3.873 3.422 1.00 0.00 N ATOM 1148 NH2 ARG A 80 -14.753 3.224 5.133 1.00 0.00 N ATOM 0 H ARG A 80 -11.003 -3.235 -0.141 1.00 0.00 H new ATOM 0 HA ARG A 80 -11.653 -2.398 2.515 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -11.648 -0.214 1.046 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.141 -0.864 0.399 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.169 -0.917 2.612 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -12.646 -0.540 3.392 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -12.610 1.676 2.153 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.190 1.300 1.496 1.00 0.00 H new ATOM 0 HE ARG A 80 -14.705 1.000 4.130 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -12.937 3.675 2.563 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.443 4.815 3.814 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -15.279 2.510 5.637 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -14.720 4.179 5.489 1.00 0.00 H new ATOM 1159 N ASP A 81 -13.650 -3.914 2.207 1.00 0.00 N ATOM 1160 CA ASP A 81 -14.686 -4.962 2.104 1.00 0.00 C ATOM 1161 C ASP A 81 -14.133 -6.289 1.519 1.00 0.00 C ATOM 1162 O ASP A 81 -14.841 -7.048 0.856 1.00 0.00 O ATOM 1163 CB ASP A 81 -15.885 -4.412 1.304 1.00 0.00 C ATOM 1164 CG ASP A 81 -17.179 -5.231 1.463 1.00 0.00 C ATOM 1165 OD1 ASP A 81 -17.539 -5.591 2.607 1.00 0.00 O ATOM 1166 OD2 ASP A 81 -17.852 -5.464 0.428 1.00 0.00 O ATOM 0 H ASP A 81 -13.470 -3.627 3.169 1.00 0.00 H new ATOM 0 HA ASP A 81 -15.027 -5.218 3.107 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.077 -3.386 1.618 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -15.618 -4.378 0.248 1.00 0.00 H new ATOM 1170 N GLY A 82 -12.826 -6.526 1.704 1.00 0.00 N ATOM 1171 CA GLY A 82 -12.090 -7.679 1.159 1.00 0.00 C ATOM 1172 C GLY A 82 -11.692 -7.544 -0.317 1.00 0.00 C ATOM 1173 O GLY A 82 -11.218 -8.516 -0.909 1.00 0.00 O ATOM 0 H GLY A 82 -12.233 -5.903 2.253 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.188 -7.831 1.752 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.703 -8.573 1.276 1.00 0.00 H new ATOM 1177 N ARG A 83 -11.887 -6.361 -0.917 1.00 0.00 N ATOM 1178 CA ARG A 83 -11.885 -6.131 -2.363 1.00 0.00 C ATOM 1179 C ARG A 83 -11.089 -4.871 -2.721 1.00 0.00 C ATOM 1180 O ARG A 83 -11.076 -3.897 -1.968 1.00 0.00 O ATOM 1181 CB ARG A 83 -13.365 -6.006 -2.761 1.00 0.00 C ATOM 1182 CG ARG A 83 -13.630 -5.762 -4.253 1.00 0.00 C ATOM 1183 CD ARG A 83 -15.134 -5.856 -4.568 1.00 0.00 C ATOM 1184 NE ARG A 83 -15.920 -4.791 -3.909 1.00 0.00 N ATOM 1185 CZ ARG A 83 -16.608 -4.886 -2.775 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -16.709 -6.007 -2.095 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -17.214 -3.831 -2.273 1.00 0.00 N ATOM 0 H ARG A 83 -12.057 -5.507 -0.385 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.400 -6.945 -2.903 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.882 -6.918 -2.463 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.808 -5.188 -2.193 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -13.256 -4.778 -4.536 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.084 -6.494 -4.848 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.280 -5.796 -5.646 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -15.508 -6.829 -4.249 1.00 0.00 H new ATOM 0 HE ARG A 83 -15.936 -3.884 -4.375 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -16.248 -6.852 -2.433 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -17.248 -6.032 -1.229 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -17.158 -2.933 -2.754 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -17.740 -3.911 -1.403 1.00 0.00 H new ATOM 1198 N GLU A 84 -10.388 -4.882 -3.855 1.00 0.00 N ATOM 1199 CA GLU A 84 -9.659 -3.707 -4.346 1.00 0.00 C ATOM 1200 C GLU A 84 -10.654 -2.602 -4.729 1.00 0.00 C ATOM 1201 O GLU A 84 -11.481 -2.784 -5.624 1.00 0.00 O ATOM 1202 CB GLU A 84 -8.724 -4.082 -5.511 1.00 0.00 C ATOM 1203 CG GLU A 84 -8.103 -2.866 -6.215 1.00 0.00 C ATOM 1204 CD GLU A 84 -7.101 -3.239 -7.323 1.00 0.00 C ATOM 1205 OE1 GLU A 84 -6.787 -4.434 -7.528 1.00 0.00 O ATOM 1206 OE2 GLU A 84 -6.604 -2.323 -8.013 1.00 0.00 O ATOM 0 H GLU A 84 -10.308 -5.700 -4.458 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.021 -3.322 -3.550 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.925 -4.721 -5.134 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.283 -4.668 -6.241 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.900 -2.261 -6.647 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.598 -2.247 -5.474 1.00 0.00 H new ATOM 1211 N VAL A 85 -10.534 -1.451 -4.061 1.00 0.00 N ATOM 1212 CA VAL A 85 -11.292 -0.226 -4.376 1.00 0.00 C ATOM 1213 C VAL A 85 -10.511 0.712 -5.302 1.00 0.00 C ATOM 1214 O VAL A 85 -11.120 1.482 -6.044 1.00 0.00 O ATOM 1215 CB VAL A 85 -11.734 0.526 -3.094 1.00 0.00 C ATOM 1216 CG1 VAL A 85 -12.850 -0.249 -2.391 1.00 0.00 C ATOM 1217 CG2 VAL A 85 -10.589 0.780 -2.096 1.00 0.00 C ATOM 0 H VAL A 85 -9.898 -1.337 -3.272 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.188 -0.549 -4.905 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.087 1.502 -3.426 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -13.154 0.287 -1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.704 -0.346 -3.062 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.488 -1.240 -2.118 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -10.976 1.310 -1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.163 -0.173 -1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.817 1.383 -2.574 1.00 0.00 H new ATOM 1227 N ALA A 86 -9.172 0.605 -5.307 1.00 0.00 N ATOM 1228 CA ALA A 86 -8.242 1.385 -6.124 1.00 0.00 C ATOM 1229 C ALA A 86 -6.812 0.862 -5.972 1.00 0.00 C ATOM 1230 O ALA A 86 -6.534 -0.001 -5.140 1.00 0.00 O ATOM 1231 CB ALA A 86 -8.298 2.853 -5.676 1.00 0.00 C ATOM 0 H ALA A 86 -8.689 -0.065 -4.708 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.531 1.296 -7.171 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.608 3.444 -6.279 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.311 3.234 -5.805 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.015 2.924 -4.626 1.00 0.00 H new ATOM 1237 N ARG A 87 -5.880 1.486 -6.690 1.00 0.00 N ATOM 1238 CA ARG A 87 -4.452 1.426 -6.404 1.00 0.00 C ATOM 1239 C ARG A 87 -3.747 2.683 -6.915 1.00 0.00 C ATOM 1240 O ARG A 87 -4.231 3.359 -7.822 1.00 0.00 O ATOM 1241 CB ARG A 87 -3.846 0.138 -6.963 1.00 0.00 C ATOM 1242 CG ARG A 87 -3.873 0.046 -8.489 1.00 0.00 C ATOM 1243 CD ARG A 87 -3.105 -1.199 -8.916 1.00 0.00 C ATOM 1244 NE ARG A 87 -3.874 -2.437 -8.691 1.00 0.00 N ATOM 1245 CZ ARG A 87 -3.444 -3.675 -8.884 1.00 0.00 C ATOM 1246 NH1 ARG A 87 -2.221 -3.947 -9.289 1.00 0.00 N ATOM 1247 NH2 ARG A 87 -4.253 -4.678 -8.675 1.00 0.00 N ATOM 0 H ARG A 87 -6.104 2.059 -7.504 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.305 1.401 -5.324 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.813 0.058 -6.623 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.385 -0.714 -6.549 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.901 -0.003 -8.847 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.424 0.936 -8.929 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.849 -1.120 -9.973 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.167 -1.251 -8.364 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.831 -2.330 -8.354 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.562 -3.189 -9.467 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.932 -4.916 -9.425 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.209 -4.506 -8.365 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.929 -5.634 -8.822 1.00 0.00 H new ATOM 1258 N VAL A 88 -2.596 2.978 -6.329 1.00 0.00 N ATOM 1259 CA VAL A 88 -1.695 4.061 -6.755 1.00 0.00 C ATOM 1260 C VAL A 88 -0.315 3.454 -7.022 1.00 0.00 C ATOM 1261 O VAL A 88 0.125 2.564 -6.295 1.00 0.00 O ATOM 1262 CB VAL A 88 -1.619 5.157 -5.678 1.00 0.00 C ATOM 1263 CG1 VAL A 88 -0.570 6.244 -5.978 1.00 0.00 C ATOM 1264 CG2 VAL A 88 -2.953 5.868 -5.413 1.00 0.00 C ATOM 0 H VAL A 88 -2.245 2.462 -5.522 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.073 4.529 -7.664 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.327 4.596 -4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.572 6.983 -5.177 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.417 5.787 -6.048 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.812 6.732 -6.922 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.815 6.626 -4.642 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.300 6.343 -6.330 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.693 5.141 -5.079 1.00 0.00 H new ATOM 1274 N VAL A 89 0.347 3.926 -8.078 1.00 0.00 N ATOM 1275 CA VAL A 89 1.646 3.439 -8.556 1.00 0.00 C ATOM 1276 C VAL A 89 2.533 4.627 -8.928 1.00 0.00 C ATOM 1277 O VAL A 89 2.053 5.594 -9.524 1.00 0.00 O ATOM 1278 CB VAL A 89 1.464 2.445 -9.730 1.00 0.00 C ATOM 1279 CG1 VAL A 89 0.572 2.963 -10.872 1.00 0.00 C ATOM 1280 CG2 VAL A 89 2.817 2.032 -10.330 1.00 0.00 C ATOM 0 H VAL A 89 -0.019 4.688 -8.648 1.00 0.00 H new ATOM 0 HA VAL A 89 2.145 2.887 -7.759 1.00 0.00 H new ATOM 0 HB VAL A 89 0.960 1.590 -9.279 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.500 2.203 -11.650 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.423 3.182 -10.485 1.00 0.00 H new ATOM 0 HG13 VAL A 89 1.007 3.871 -11.290 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.653 1.334 -11.151 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.335 2.916 -10.703 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.424 1.553 -9.562 1.00 0.00 H new ATOM 1290 N ARG A 90 3.816 4.571 -8.540 1.00 0.00 N ATOM 1291 CA ARG A 90 4.833 5.599 -8.778 1.00 0.00 C ATOM 1292 C ARG A 90 4.366 7.010 -8.307 1.00 0.00 C ATOM 1293 O ARG A 90 4.091 7.865 -9.160 1.00 0.00 O ATOM 1294 CB ARG A 90 5.244 5.563 -10.259 1.00 0.00 C ATOM 1295 CG ARG A 90 6.554 6.329 -10.507 1.00 0.00 C ATOM 1296 CD ARG A 90 6.393 7.372 -11.612 1.00 0.00 C ATOM 1297 NE ARG A 90 7.651 8.122 -11.818 1.00 0.00 N ATOM 1298 CZ ARG A 90 7.787 9.251 -12.499 1.00 0.00 C ATOM 1299 NH1 ARG A 90 6.773 9.821 -13.108 1.00 0.00 N ATOM 1300 NH2 ARG A 90 8.970 9.827 -12.583 1.00 0.00 N ATOM 0 H ARG A 90 4.187 3.770 -8.029 1.00 0.00 H new ATOM 0 HA ARG A 90 5.713 5.381 -8.173 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.362 4.528 -10.578 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.449 5.995 -10.867 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.870 6.819 -9.586 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.341 5.626 -10.780 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.101 6.882 -12.541 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.592 8.063 -11.351 1.00 0.00 H new ATOM 0 HE ARG A 90 8.494 7.733 -11.396 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.847 9.395 -13.065 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.911 10.690 -13.624 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.777 9.404 -12.125 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.078 10.696 -13.106 1.00 0.00 H new ATOM 1311 N PRO A 91 4.230 7.267 -6.984 1.00 0.00 N ATOM 1312 CA PRO A 91 3.675 8.519 -6.452 1.00 0.00 C ATOM 1313 C PRO A 91 4.537 9.721 -6.869 1.00 0.00 C ATOM 1314 O PRO A 91 5.735 9.766 -6.582 1.00 0.00 O ATOM 1315 CB PRO A 91 3.633 8.353 -4.935 1.00 0.00 C ATOM 1316 CG PRO A 91 4.673 7.270 -4.644 1.00 0.00 C ATOM 1317 CD PRO A 91 4.605 6.381 -5.891 1.00 0.00 C ATOM 0 HA PRO A 91 2.678 8.715 -6.846 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.877 9.286 -4.426 1.00 0.00 H new ATOM 0 HB3 PRO A 91 2.642 8.054 -4.595 1.00 0.00 H new ATOM 0 HG2 PRO A 91 5.668 7.693 -4.504 1.00 0.00 H new ATOM 0 HG3 PRO A 91 4.433 6.713 -3.738 1.00 0.00 H new ATOM 0 HD2 PRO A 91 5.566 5.904 -6.085 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.873 5.583 -5.764 1.00 0.00 H new ATOM 1322 N GLY A 92 3.923 10.693 -7.557 1.00 0.00 N ATOM 1323 CA GLY A 92 4.623 11.859 -8.119 1.00 0.00 C ATOM 1324 C GLY A 92 4.840 12.998 -7.120 1.00 0.00 C ATOM 1325 O GLY A 92 5.822 13.730 -7.210 1.00 0.00 O ATOM 0 H GLY A 92 2.920 10.694 -7.741 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.591 11.538 -8.503 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.053 12.238 -8.967 1.00 0.00 H new ATOM 1329 N SER A 93 3.935 13.119 -6.147 1.00 0.00 N ATOM 1330 CA SER A 93 3.965 14.072 -5.029 1.00 0.00 C ATOM 1331 C SER A 93 2.830 13.755 -4.047 1.00 0.00 C ATOM 1332 O SER A 93 1.858 13.082 -4.413 1.00 0.00 O ATOM 1333 CB SER A 93 3.835 15.526 -5.517 1.00 0.00 C ATOM 1334 OG SER A 93 4.127 16.435 -4.463 1.00 0.00 O ATOM 0 H SER A 93 3.111 12.519 -6.114 1.00 0.00 H new ATOM 0 HA SER A 93 4.929 13.970 -4.530 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.515 15.698 -6.351 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.825 15.702 -5.887 1.00 0.00 H new ATOM 0 HG SER A 93 4.041 17.355 -4.791 1.00 0.00 H new ATOM 1339 N ALA A 94 2.913 14.267 -2.813 1.00 0.00 N ATOM 1340 CA ALA A 94 1.906 14.090 -1.771 1.00 0.00 C ATOM 1341 C ALA A 94 0.513 14.520 -2.233 1.00 0.00 C ATOM 1342 O ALA A 94 -0.445 13.822 -1.938 1.00 0.00 O ATOM 1343 CB ALA A 94 2.358 14.884 -0.537 1.00 0.00 C ATOM 0 H ALA A 94 3.706 14.831 -2.508 1.00 0.00 H new ATOM 0 HA ALA A 94 1.822 13.031 -1.527 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.622 14.769 0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.323 14.509 -0.196 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.450 15.939 -0.797 1.00 0.00 H new ATOM 1349 N SER A 95 0.390 15.568 -3.045 1.00 0.00 N ATOM 1350 CA SER A 95 -0.883 15.971 -3.659 1.00 0.00 C ATOM 1351 C SER A 95 -1.577 14.820 -4.410 1.00 0.00 C ATOM 1352 O SER A 95 -2.783 14.622 -4.254 1.00 0.00 O ATOM 1353 CB SER A 95 -0.636 17.151 -4.611 1.00 0.00 C ATOM 1354 OG SER A 95 0.409 16.869 -5.535 1.00 0.00 O ATOM 0 H SER A 95 1.174 16.169 -3.300 1.00 0.00 H new ATOM 0 HA SER A 95 -1.556 16.267 -2.854 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.553 17.378 -5.156 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.381 18.039 -4.032 1.00 0.00 H new ATOM 0 HG SER A 95 0.539 17.639 -6.127 1.00 0.00 H new ATOM 1359 N VAL A 96 -0.827 14.018 -5.169 1.00 0.00 N ATOM 1360 CA VAL A 96 -1.342 12.882 -5.958 1.00 0.00 C ATOM 1361 C VAL A 96 -1.684 11.689 -5.057 1.00 0.00 C ATOM 1362 O VAL A 96 -2.699 11.025 -5.272 1.00 0.00 O ATOM 1363 CB VAL A 96 -0.322 12.453 -7.042 1.00 0.00 C ATOM 1364 CG1 VAL A 96 -0.845 11.303 -7.915 1.00 0.00 C ATOM 1365 CG2 VAL A 96 0.063 13.622 -7.970 1.00 0.00 C ATOM 0 H VAL A 96 0.182 14.138 -5.258 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.256 13.214 -6.450 1.00 0.00 H new ATOM 0 HB VAL A 96 0.556 12.117 -6.490 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.093 11.040 -8.659 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.054 10.436 -7.288 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.760 11.616 -8.419 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.780 13.275 -8.714 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.829 13.997 -8.472 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.511 14.422 -7.381 1.00 0.00 H new ATOM 1375 N LEU A 97 -0.864 11.431 -4.028 1.00 0.00 N ATOM 1376 CA LEU A 97 -1.106 10.349 -3.068 1.00 0.00 C ATOM 1377 C LEU A 97 -2.313 10.665 -2.166 1.00 0.00 C ATOM 1378 O LEU A 97 -3.234 9.860 -2.073 1.00 0.00 O ATOM 1379 CB LEU A 97 0.199 10.072 -2.282 1.00 0.00 C ATOM 1380 CG LEU A 97 0.593 8.575 -2.342 1.00 0.00 C ATOM 1381 CD1 LEU A 97 1.924 8.315 -1.654 1.00 0.00 C ATOM 1382 CD2 LEU A 97 -0.529 7.758 -1.713 1.00 0.00 C ATOM 0 H LEU A 97 -0.017 11.966 -3.840 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.374 9.433 -3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.007 10.678 -2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.070 10.374 -1.243 1.00 0.00 H new ATOM 0 HG LEU A 97 0.726 8.277 -3.382 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.165 7.254 -1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.706 8.895 -2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.856 8.610 -0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.271 6.700 -1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.667 8.066 -0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.453 7.923 -2.266 1.00 0.00 H new ATOM 1393 N GLU A 98 -2.346 11.858 -1.574 1.00 0.00 N ATOM 1394 CA GLU A 98 -3.473 12.387 -0.801 1.00 0.00 C ATOM 1395 C GLU A 98 -4.791 12.396 -1.592 1.00 0.00 C ATOM 1396 O GLU A 98 -5.820 12.011 -1.039 1.00 0.00 O ATOM 1397 CB GLU A 98 -3.179 13.809 -0.291 1.00 0.00 C ATOM 1398 CG GLU A 98 -2.072 13.884 0.778 1.00 0.00 C ATOM 1399 CD GLU A 98 -1.908 15.327 1.287 1.00 0.00 C ATOM 1400 OE1 GLU A 98 -1.113 16.100 0.703 1.00 0.00 O ATOM 1401 OE2 GLU A 98 -2.594 15.698 2.268 1.00 0.00 O ATOM 0 H GLU A 98 -1.561 12.508 -1.620 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.595 11.710 0.045 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.893 14.434 -1.137 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.095 14.231 0.122 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.318 13.225 1.610 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.130 13.531 0.359 1.00 0.00 H new ATOM 1406 N GLU A 99 -4.770 12.779 -2.881 1.00 0.00 N ATOM 1407 CA GLU A 99 -5.946 12.776 -3.769 1.00 0.00 C ATOM 1408 C GLU A 99 -6.602 11.395 -3.896 1.00 0.00 C ATOM 1409 O GLU A 99 -7.824 11.280 -4.019 1.00 0.00 O ATOM 1410 CB GLU A 99 -5.514 13.278 -5.161 1.00 0.00 C ATOM 1411 CG GLU A 99 -6.572 13.086 -6.252 1.00 0.00 C ATOM 1412 CD GLU A 99 -6.285 13.976 -7.475 1.00 0.00 C ATOM 1413 OE1 GLU A 99 -6.716 15.157 -7.485 1.00 0.00 O ATOM 1414 OE2 GLU A 99 -5.654 13.491 -8.446 1.00 0.00 O ATOM 0 H GLU A 99 -3.921 13.105 -3.343 1.00 0.00 H new ATOM 0 HA GLU A 99 -6.694 13.435 -3.328 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.267 14.337 -5.093 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -4.604 12.756 -5.457 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.595 12.040 -6.558 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.558 13.323 -5.851 1.00 0.00 H new ATOM 1419 N ALA A 100 -5.796 10.331 -3.863 1.00 0.00 N ATOM 1420 CA ALA A 100 -6.303 8.965 -3.811 1.00 0.00 C ATOM 1421 C ALA A 100 -6.763 8.604 -2.394 1.00 0.00 C ATOM 1422 O ALA A 100 -7.858 8.075 -2.225 1.00 0.00 O ATOM 1423 CB ALA A 100 -5.225 8.028 -4.355 1.00 0.00 C ATOM 0 H ALA A 100 -4.778 10.395 -3.872 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.189 8.861 -4.438 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.587 7.000 -4.324 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.992 8.300 -5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.326 8.115 -3.745 1.00 0.00 H new ATOM 1429 N PHE A 101 -5.995 8.943 -1.356 1.00 0.00 N ATOM 1430 CA PHE A 101 -6.335 8.591 0.022 1.00 0.00 C ATOM 1431 C PHE A 101 -7.708 9.136 0.428 1.00 0.00 C ATOM 1432 O PHE A 101 -8.547 8.372 0.902 1.00 0.00 O ATOM 1433 CB PHE A 101 -5.247 9.080 0.970 1.00 0.00 C ATOM 1434 CG PHE A 101 -4.256 8.005 1.360 1.00 0.00 C ATOM 1435 CD1 PHE A 101 -3.294 7.528 0.446 1.00 0.00 C ATOM 1436 CD2 PHE A 101 -4.280 7.488 2.671 1.00 0.00 C ATOM 1437 CE1 PHE A 101 -2.350 6.582 0.859 1.00 0.00 C ATOM 1438 CE2 PHE A 101 -3.325 6.548 3.078 1.00 0.00 C ATOM 1439 CZ PHE A 101 -2.351 6.100 2.169 1.00 0.00 C ATOM 0 H PHE A 101 -5.124 9.467 -1.447 1.00 0.00 H new ATOM 0 HA PHE A 101 -6.395 7.505 0.087 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.710 9.904 0.500 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -5.714 9.477 1.872 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.286 7.892 -0.571 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -5.039 7.818 3.365 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -1.613 6.221 0.157 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.337 6.168 4.089 1.00 0.00 H new ATOM 0 HZ PHE A 101 -1.605 5.385 2.483 1.00 0.00 H new ATOM 1448 N GLU A 102 -7.978 10.421 0.179 1.00 0.00 N ATOM 1449 CA GLU A 102 -9.297 11.020 0.435 1.00 0.00 C ATOM 1450 C GLU A 102 -10.436 10.354 -0.348 1.00 0.00 C ATOM 1451 O GLU A 102 -11.566 10.273 0.134 1.00 0.00 O ATOM 1452 CB GLU A 102 -9.298 12.532 0.174 1.00 0.00 C ATOM 1453 CG GLU A 102 -8.860 12.988 -1.224 1.00 0.00 C ATOM 1454 CD GLU A 102 -9.993 13.699 -1.986 1.00 0.00 C ATOM 1455 OE1 GLU A 102 -10.887 13.026 -2.544 1.00 0.00 O ATOM 1456 OE2 GLU A 102 -10.009 14.953 -2.015 1.00 0.00 O ATOM 0 H GLU A 102 -7.295 11.074 -0.204 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.487 10.841 1.493 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -10.305 12.908 0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.644 13.005 0.907 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.007 13.661 -1.134 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.525 12.124 -1.798 1.00 0.00 H new ATOM 1461 N SER A 103 -10.146 9.830 -1.538 1.00 0.00 N ATOM 1462 CA SER A 103 -11.131 9.127 -2.359 1.00 0.00 C ATOM 1463 C SER A 103 -11.458 7.724 -1.808 1.00 0.00 C ATOM 1464 O SER A 103 -12.596 7.260 -1.936 1.00 0.00 O ATOM 1465 CB SER A 103 -10.624 9.059 -3.811 1.00 0.00 C ATOM 1466 OG SER A 103 -11.622 8.571 -4.701 1.00 0.00 O ATOM 0 H SER A 103 -9.219 9.881 -1.961 1.00 0.00 H new ATOM 0 HA SER A 103 -12.066 9.686 -2.330 1.00 0.00 H new ATOM 0 HB2 SER A 103 -10.306 10.051 -4.131 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.748 8.413 -3.859 1.00 0.00 H new ATOM 0 HG SER A 103 -11.263 8.544 -5.612 1.00 0.00 H new ATOM 1471 N LEU A 104 -10.497 7.058 -1.142 1.00 0.00 N ATOM 1472 CA LEU A 104 -10.659 5.676 -0.651 1.00 0.00 C ATOM 1473 C LEU A 104 -10.952 5.589 0.851 1.00 0.00 C ATOM 1474 O LEU A 104 -11.595 4.636 1.298 1.00 0.00 O ATOM 1475 CB LEU A 104 -9.433 4.820 -1.033 1.00 0.00 C ATOM 1476 CG LEU A 104 -9.326 4.414 -2.520 1.00 0.00 C ATOM 1477 CD1 LEU A 104 -10.687 4.093 -3.166 1.00 0.00 C ATOM 1478 CD2 LEU A 104 -8.611 5.457 -3.380 1.00 0.00 C ATOM 0 H LEU A 104 -9.585 7.463 -0.929 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.542 5.273 -1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.532 5.370 -0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.446 3.913 -0.429 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.726 3.504 -2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.538 3.816 -4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.156 3.265 -2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.331 4.971 -3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.570 5.111 -4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.155 6.400 -3.335 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.598 5.604 -3.006 1.00 0.00 H new ATOM 1489 N VAL A 105 -10.566 6.604 1.621 1.00 0.00 N ATOM 1490 CA VAL A 105 -10.979 6.790 3.016 1.00 0.00 C ATOM 1491 C VAL A 105 -12.485 7.093 3.113 1.00 0.00 C ATOM 1492 O VAL A 105 -13.116 6.773 4.119 1.00 0.00 O ATOM 1493 CB VAL A 105 -10.144 7.906 3.687 1.00 0.00 C ATOM 1494 CG1 VAL A 105 -10.687 9.312 3.412 1.00 0.00 C ATOM 1495 CG2 VAL A 105 -10.065 7.693 5.194 1.00 0.00 C ATOM 0 H VAL A 105 -9.943 7.339 1.287 1.00 0.00 H new ATOM 0 HA VAL A 105 -10.794 5.858 3.551 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.150 7.839 3.244 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.057 10.049 3.910 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.685 9.499 2.338 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -11.706 9.389 3.792 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.473 8.490 5.644 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -11.070 7.705 5.616 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.596 6.731 5.401 1.00 0.00 H new ATOM 1505 N GLY A 106 -13.048 7.679 2.049 1.00 0.00 N ATOM 1506 CA GLY A 106 -14.456 8.064 1.950 1.00 0.00 C ATOM 1507 C GLY A 106 -14.720 9.524 2.325 1.00 0.00 C ATOM 1508 O GLY A 106 -15.853 9.859 2.671 1.00 0.00 O ATOM 0 H GLY A 106 -12.517 7.904 1.208 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -14.800 7.892 0.930 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.047 7.418 2.599 1.00 0.00 H new ATOM 1512 N GLU A 107 -13.697 10.385 2.267 1.00 0.00 N ATOM 1513 CA GLU A 107 -13.845 11.840 2.406 1.00 0.00 C ATOM 1514 C GLU A 107 -14.408 12.468 1.116 1.00 0.00 C ATOM 1515 O GLU A 107 -15.184 13.425 1.180 1.00 0.00 O ATOM 1516 CB GLU A 107 -12.502 12.462 2.833 1.00 0.00 C ATOM 1517 CG GLU A 107 -12.350 12.523 4.356 1.00 0.00 C ATOM 1518 CD GLU A 107 -13.306 13.543 4.991 1.00 0.00 C ATOM 1519 OE1 GLU A 107 -13.061 14.767 4.875 1.00 0.00 O ATOM 1520 OE2 GLU A 107 -14.299 13.129 5.634 1.00 0.00 O ATOM 0 H GLU A 107 -12.732 10.088 2.121 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.572 12.054 3.189 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -11.683 11.879 2.411 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -12.422 13.468 2.421 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -12.540 11.536 4.779 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.322 12.785 4.607 1.00 0.00 H new ATOM 1525 N GLY A 108 -14.125 11.862 -0.047 1.00 0.00 N ATOM 1526 CA GLY A 108 -14.840 12.123 -1.307 1.00 0.00 C ATOM 1527 C GLY A 108 -16.261 11.551 -1.280 1.00 0.00 C ATOM 1528 O GLY A 108 -16.486 10.442 -0.792 1.00 0.00 O ATOM 0 H GLY A 108 -13.384 11.168 -0.141 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -14.883 13.197 -1.485 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -14.287 11.684 -2.137 1.00 0.00 H new TER 1532 GLY A 108