USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 970 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 NoAdj-H: A 46 HIS HD1 : A 46 HIS ND1 : A 121 CU1CU :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 121 CU1CU :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 154:sc= 0.929 (180deg=0.496) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0253 USER MOD Single : A 4 THR OG1 : rot 144:sc= 1.24 USER MOD Single : A 11 SER OG : rot 74:sc= 0.67 USER MOD Single : A 15 ASN : amide:sc=-9.52e-05 K(o=-9.5e-05,f=-1.7) USER MOD Single : A 19 TYR OH : rot 130:sc= 0 USER MOD Single : A 21 THR OG1 : rot 96:sc= 1.12 USER MOD Single : A 24 ASN : amide:sc= 0.383 K(o=0.38,f=-3) USER MOD Single : A 37 THR OG1 : rot 97:sc= 0.761 USER MOD Single : A 48 THR OG1 : rot 92:sc= 0.409 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -122:sc= -1.05 (180deg=-2.37!) USER MOD Single : A 57 LYS NZ :NH3+ -150:sc= 1.2 (180deg=-0.82!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -173:sc= 0 (180deg=-0.0632) USER MOD Single : A 72 LYS NZ :NH3+ 131:sc= 0.21 (180deg=-0.251!) USER MOD Single : A 78 LYS NZ :NH3+ 155:sc= 2.49 (180deg=1.75) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -151:sc= -0.0379 (180deg=-1.64!) USER MOD Single : A 90 LYS NZ :NH3+ 177:sc= 0.859 (180deg=0.804) USER MOD Single : A 94 LYS NZ :NH3+ -156:sc= 1.6 (180deg=0.745) USER MOD Single : A 109 LYS NZ :NH3+ 178:sc= 1.21 (180deg=1.14) USER MOD Single : A 112 LYS NZ :NH3+ -175:sc= 1.04 (180deg=0.882) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.085 3.357 18.256 1.00 13.58 N ATOM 2 CA GLY A 1 1.705 4.589 18.782 1.00 13.85 C ATOM 3 C GLY A 1 2.233 5.320 17.577 1.00 13.02 C ATOM 4 O GLY A 1 1.439 5.674 16.719 1.00 13.52 O ATOM 0 H1 GLY A 1 1.096 2.621 18.991 1.00 13.58 H new ATOM 0 H2 GLY A 1 0.102 3.554 17.979 1.00 13.58 H new ATOM 0 H3 GLY A 1 1.619 3.026 17.427 1.00 13.58 H new ATOM 0 HA2 GLY A 1 0.977 5.195 19.321 1.00 13.85 H new ATOM 0 HA3 GLY A 1 2.507 4.356 19.482 1.00 13.85 H new ATOM 10 N SER A 2 3.548 5.307 17.383 1.00 11.98 N ATOM 11 CA SER A 2 4.102 5.078 16.039 1.00 10.70 C ATOM 12 C SER A 2 3.475 3.831 15.385 1.00 9.35 C ATOM 13 O SER A 2 2.918 2.976 16.091 1.00 9.36 O ATOM 14 CB SER A 2 5.624 4.871 16.119 1.00 10.32 C ATOM 15 OG SER A 2 6.214 5.721 17.088 1.00 11.62 O ATOM 0 H SER A 2 4.242 5.448 18.117 1.00 11.98 H new ATOM 0 HA SER A 2 3.872 5.956 15.436 1.00 10.70 H new ATOM 0 HB2 SER A 2 5.838 3.831 16.367 1.00 10.32 H new ATOM 0 HB3 SER A 2 6.070 5.065 15.144 1.00 10.32 H new ATOM 0 HG SER A 2 7.181 5.564 17.116 1.00 11.62 H new ATOM 21 N PHE A 3 3.586 3.714 14.061 1.00 8.55 N ATOM 22 CA PHE A 3 3.250 2.492 13.327 1.00 7.32 C ATOM 23 C PHE A 3 4.349 1.423 13.493 1.00 5.62 C ATOM 24 O PHE A 3 5.413 1.693 14.059 1.00 5.73 O ATOM 25 CB PHE A 3 2.949 2.848 11.858 1.00 7.97 C ATOM 26 CG PHE A 3 1.690 3.683 11.693 1.00 9.31 C ATOM 27 CD1 PHE A 3 1.752 5.088 11.765 1.00 10.30 C ATOM 28 CD2 PHE A 3 0.443 3.050 11.527 1.00 9.99 C ATOM 29 CE1 PHE A 3 0.573 5.854 11.696 1.00 11.68 C ATOM 30 CE2 PHE A 3 -0.735 3.817 11.446 1.00 11.47 C ATOM 31 CZ PHE A 3 -0.671 5.218 11.540 1.00 12.21 C ATOM 0 H PHE A 3 3.915 4.471 13.462 1.00 8.55 H new ATOM 0 HA PHE A 3 2.348 2.043 13.743 1.00 7.32 H new ATOM 0 HB2 PHE A 3 3.796 3.393 11.441 1.00 7.97 H new ATOM 0 HB3 PHE A 3 2.846 1.929 11.281 1.00 7.97 H new ATOM 0 HD1 PHE A 3 2.707 5.580 11.874 1.00 10.30 H new ATOM 0 HD2 PHE A 3 0.390 1.973 11.462 1.00 9.99 H new ATOM 0 HE1 PHE A 3 0.624 6.931 11.763 1.00 11.68 H new ATOM 0 HE2 PHE A 3 -1.689 3.328 11.312 1.00 11.47 H new ATOM 0 HZ PHE A 3 -1.576 5.805 11.492 1.00 12.21 H new ATOM 41 N THR A 4 4.051 0.209 13.023 1.00 4.65 N ATOM 42 CA THR A 4 4.807 -1.039 13.235 1.00 3.86 C ATOM 43 C THR A 4 4.854 -1.867 11.957 1.00 2.34 C ATOM 44 O THR A 4 5.921 -2.255 11.493 1.00 2.85 O ATOM 45 CB THR A 4 4.116 -1.878 14.328 1.00 5.25 C ATOM 46 OG1 THR A 4 2.712 -1.767 14.193 1.00 6.41 O ATOM 47 CG2 THR A 4 4.478 -1.374 15.724 1.00 6.56 C ATOM 0 H THR A 4 3.223 0.056 12.447 1.00 4.65 H new ATOM 0 HA THR A 4 5.822 -0.776 13.533 1.00 3.86 H new ATOM 0 HB THR A 4 4.448 -2.909 14.210 1.00 5.25 H new ATOM 0 HG1 THR A 4 2.293 -2.626 14.411 1.00 6.41 H new ATOM 0 HG21 THR A 4 3.975 -1.986 16.473 1.00 6.56 H new ATOM 0 HG22 THR A 4 5.557 -1.440 15.866 1.00 6.56 H new ATOM 0 HG23 THR A 4 4.160 -0.337 15.830 1.00 6.56 H new ATOM 55 N GLU A 5 3.671 -2.105 11.404 1.00 1.55 N ATOM 56 CA GLU A 5 3.363 -3.027 10.318 1.00 1.27 C ATOM 57 C GLU A 5 2.438 -2.343 9.289 1.00 1.19 C ATOM 58 O GLU A 5 2.161 -1.140 9.380 1.00 1.38 O ATOM 59 CB GLU A 5 2.746 -4.293 10.931 1.00 2.62 C ATOM 60 CG GLU A 5 1.334 -4.045 11.471 1.00 3.81 C ATOM 61 CD GLU A 5 1.113 -4.684 12.828 1.00 4.87 C ATOM 62 OE1 GLU A 5 1.615 -4.075 13.804 1.00 5.13 O ATOM 63 OE2 GLU A 5 0.456 -5.747 12.864 1.00 5.98 O ATOM 0 H GLU A 5 2.835 -1.619 11.730 1.00 1.55 H new ATOM 0 HA GLU A 5 4.263 -3.314 9.774 1.00 1.27 H new ATOM 0 HB2 GLU A 5 2.712 -5.080 10.178 1.00 2.62 H new ATOM 0 HB3 GLU A 5 3.384 -4.652 11.738 1.00 2.62 H new ATOM 0 HG2 GLU A 5 1.160 -2.972 11.545 1.00 3.81 H new ATOM 0 HG3 GLU A 5 0.603 -4.438 10.764 1.00 3.81 H new ATOM 70 N GLY A 6 1.985 -3.088 8.275 1.00 1.48 N ATOM 71 CA GLY A 6 0.905 -2.630 7.401 1.00 1.45 C ATOM 72 C GLY A 6 -0.475 -2.881 7.991 1.00 1.07 C ATOM 73 O GLY A 6 -0.628 -3.614 8.956 1.00 1.00 O ATOM 0 H GLY A 6 2.351 -4.011 8.041 1.00 1.48 H new ATOM 0 HA2 GLY A 6 1.025 -1.564 7.210 1.00 1.45 H new ATOM 0 HA3 GLY A 6 0.982 -3.137 6.439 1.00 1.45 H new ATOM 77 N TRP A 7 -1.510 -2.363 7.331 1.00 0.97 N ATOM 78 CA TRP A 7 -2.885 -2.819 7.526 1.00 0.87 C ATOM 79 C TRP A 7 -3.692 -2.655 6.233 1.00 0.78 C ATOM 80 O TRP A 7 -3.459 -1.710 5.474 1.00 0.65 O ATOM 81 CB TRP A 7 -3.545 -2.149 8.742 1.00 0.95 C ATOM 82 CG TRP A 7 -4.068 -0.751 8.578 1.00 0.87 C ATOM 83 CD1 TRP A 7 -5.377 -0.424 8.499 1.00 0.95 C ATOM 84 CD2 TRP A 7 -3.344 0.520 8.529 1.00 1.13 C ATOM 85 NE1 TRP A 7 -5.522 0.945 8.470 1.00 1.16 N ATOM 86 CE2 TRP A 7 -4.300 1.580 8.449 1.00 1.30 C ATOM 87 CE3 TRP A 7 -1.982 0.897 8.562 1.00 1.47 C ATOM 88 CZ2 TRP A 7 -3.930 2.931 8.385 1.00 1.75 C ATOM 89 CZ3 TRP A 7 -1.599 2.249 8.487 1.00 1.91 C ATOM 90 CH2 TRP A 7 -2.566 3.267 8.397 1.00 2.03 C ATOM 0 H TRP A 7 -1.418 -1.614 6.645 1.00 0.97 H new ATOM 0 HA TRP A 7 -2.866 -3.884 7.758 1.00 0.87 H new ATOM 0 HB2 TRP A 7 -4.374 -2.780 9.062 1.00 0.95 H new ATOM 0 HB3 TRP A 7 -2.818 -2.141 9.554 1.00 0.95 H new ATOM 0 HD1 TRP A 7 -6.191 -1.133 8.464 1.00 0.95 H new ATOM 0 HE1 TRP A 7 -6.421 1.428 8.465 1.00 1.16 H new ATOM 0 HE3 TRP A 7 -1.222 0.134 8.646 1.00 1.47 H new ATOM 0 HZ2 TRP A 7 -4.683 3.703 8.327 1.00 1.75 H new ATOM 0 HZ3 TRP A 7 -0.551 2.508 8.499 1.00 1.91 H new ATOM 0 HH2 TRP A 7 -2.261 4.301 8.337 1.00 2.03 H new ATOM 101 N VAL A 8 -4.615 -3.581 5.957 1.00 1.03 N ATOM 102 CA VAL A 8 -5.497 -3.518 4.774 1.00 1.10 C ATOM 103 C VAL A 8 -6.808 -2.835 5.178 1.00 1.20 C ATOM 104 O VAL A 8 -7.415 -3.204 6.180 1.00 1.38 O ATOM 105 CB VAL A 8 -5.750 -4.914 4.158 1.00 1.24 C ATOM 106 CG1 VAL A 8 -6.700 -4.838 2.950 1.00 1.38 C ATOM 107 CG2 VAL A 8 -4.426 -5.559 3.718 1.00 1.25 C ATOM 0 H VAL A 8 -4.777 -4.399 6.545 1.00 1.03 H new ATOM 0 HA VAL A 8 -5.004 -2.935 3.996 1.00 1.10 H new ATOM 0 HB VAL A 8 -6.218 -5.525 4.930 1.00 1.24 H new ATOM 0 HG11 VAL A 8 -6.854 -5.838 2.544 1.00 1.38 H new ATOM 0 HG12 VAL A 8 -7.657 -4.423 3.266 1.00 1.38 H new ATOM 0 HG13 VAL A 8 -6.263 -4.199 2.183 1.00 1.38 H new ATOM 0 HG21 VAL A 8 -4.625 -6.540 3.287 1.00 1.25 H new ATOM 0 HG22 VAL A 8 -3.943 -4.927 2.973 1.00 1.25 H new ATOM 0 HG23 VAL A 8 -3.770 -5.668 4.581 1.00 1.25 H new ATOM 117 N ARG A 9 -7.225 -1.815 4.416 1.00 1.11 N ATOM 118 CA ARG A 9 -8.343 -0.943 4.787 1.00 1.16 C ATOM 119 C ARG A 9 -9.692 -1.649 4.611 1.00 1.25 C ATOM 120 O ARG A 9 -10.187 -1.768 3.485 1.00 2.06 O ATOM 121 CB ARG A 9 -8.254 0.396 4.033 1.00 1.16 C ATOM 122 CG ARG A 9 -9.210 1.480 4.557 1.00 1.33 C ATOM 123 CD ARG A 9 -10.503 1.568 3.734 1.00 2.12 C ATOM 124 NE ARG A 9 -11.419 2.570 4.293 1.00 2.43 N ATOM 125 CZ ARG A 9 -12.664 2.834 3.932 1.00 3.42 C ATOM 126 NH1 ARG A 9 -13.314 2.153 3.009 1.00 4.34 N ATOM 127 NH2 ARG A 9 -13.252 3.841 4.535 1.00 4.00 N ATOM 0 H ARG A 9 -6.795 -1.572 3.524 1.00 1.11 H new ATOM 0 HA ARG A 9 -8.269 -0.713 5.850 1.00 1.16 H new ATOM 0 HB2 ARG A 9 -7.231 0.768 4.096 1.00 1.16 H new ATOM 0 HB3 ARG A 9 -8.465 0.221 2.978 1.00 1.16 H new ATOM 0 HG2 ARG A 9 -9.458 1.269 5.597 1.00 1.33 H new ATOM 0 HG3 ARG A 9 -8.705 2.446 4.539 1.00 1.33 H new ATOM 0 HD2 ARG A 9 -10.264 1.825 2.702 1.00 2.12 H new ATOM 0 HD3 ARG A 9 -10.992 0.594 3.715 1.00 2.12 H new ATOM 0 HE ARG A 9 -11.048 3.135 5.057 1.00 2.43 H new ATOM 0 HH11 ARG A 9 -12.857 1.376 2.532 1.00 4.34 H new ATOM 0 HH12 ARG A 9 -14.274 2.403 2.772 1.00 4.34 H new ATOM 0 HH21 ARG A 9 -12.749 4.376 5.243 1.00 4.00 H new ATOM 0 HH22 ARG A 9 -14.212 4.089 4.295 1.00 4.00 H new ATOM 141 N PHE A 10 -10.325 -2.026 5.721 1.00 1.04 N ATOM 142 CA PHE A 10 -11.690 -2.556 5.772 1.00 1.05 C ATOM 143 C PHE A 10 -12.641 -1.749 4.868 1.00 1.05 C ATOM 144 O PHE A 10 -12.668 -0.521 4.946 1.00 1.35 O ATOM 145 CB PHE A 10 -12.200 -2.510 7.225 1.00 1.26 C ATOM 146 CG PHE A 10 -13.706 -2.682 7.270 1.00 1.40 C ATOM 147 CD1 PHE A 10 -14.267 -3.961 7.130 1.00 2.23 C ATOM 148 CD2 PHE A 10 -14.532 -1.546 7.183 1.00 1.64 C ATOM 149 CE1 PHE A 10 -15.650 -4.106 6.940 1.00 2.40 C ATOM 150 CE2 PHE A 10 -15.895 -1.689 6.881 1.00 1.73 C ATOM 151 CZ PHE A 10 -16.464 -2.971 6.787 1.00 1.77 C ATOM 0 H PHE A 10 -9.889 -1.970 6.641 1.00 1.04 H new ATOM 0 HA PHE A 10 -11.671 -3.584 5.411 1.00 1.05 H new ATOM 0 HB2 PHE A 10 -11.722 -3.296 7.809 1.00 1.26 H new ATOM 0 HB3 PHE A 10 -11.924 -1.560 7.683 1.00 1.26 H new ATOM 0 HD1 PHE A 10 -13.633 -4.835 7.169 1.00 2.23 H new ATOM 0 HD2 PHE A 10 -14.117 -0.563 7.349 1.00 1.64 H new ATOM 0 HE1 PHE A 10 -16.089 -5.092 6.911 1.00 2.40 H new ATOM 0 HE2 PHE A 10 -16.507 -0.814 6.721 1.00 1.73 H new ATOM 0 HZ PHE A 10 -17.521 -3.083 6.598 1.00 1.77 H new ATOM 161 N SER A 11 -13.464 -2.404 4.044 1.00 0.97 N ATOM 162 CA SER A 11 -14.466 -1.738 3.225 1.00 1.06 C ATOM 163 C SER A 11 -15.672 -2.655 2.952 1.00 1.12 C ATOM 164 O SER A 11 -15.464 -3.829 2.649 1.00 1.32 O ATOM 165 CB SER A 11 -13.813 -1.380 1.882 1.00 1.37 C ATOM 166 OG SER A 11 -12.676 -0.538 2.028 1.00 2.73 O ATOM 0 H SER A 11 -13.449 -3.417 3.930 1.00 0.97 H new ATOM 0 HA SER A 11 -14.822 -0.853 3.753 1.00 1.06 H new ATOM 0 HB2 SER A 11 -13.517 -2.297 1.371 1.00 1.37 H new ATOM 0 HB3 SER A 11 -14.547 -0.884 1.247 1.00 1.37 H new ATOM 0 HG SER A 11 -11.925 -1.061 2.379 1.00 2.73 H new ATOM 172 N PRO A 12 -16.922 -2.155 3.009 1.00 1.24 N ATOM 173 CA PRO A 12 -18.136 -2.929 2.740 1.00 1.49 C ATOM 174 C PRO A 12 -18.464 -2.940 1.234 1.00 1.49 C ATOM 175 O PRO A 12 -19.574 -2.613 0.813 1.00 2.21 O ATOM 176 CB PRO A 12 -19.206 -2.223 3.569 1.00 1.80 C ATOM 177 CG PRO A 12 -18.821 -0.758 3.372 1.00 1.72 C ATOM 178 CD PRO A 12 -17.294 -0.807 3.426 1.00 1.41 C ATOM 0 HA PRO A 12 -18.045 -3.982 3.008 1.00 1.49 H new ATOM 0 HB2 PRO A 12 -20.212 -2.435 3.208 1.00 1.80 H new ATOM 0 HB3 PRO A 12 -19.175 -2.519 4.618 1.00 1.80 H new ATOM 0 HG2 PRO A 12 -19.181 -0.368 2.420 1.00 1.72 H new ATOM 0 HG3 PRO A 12 -19.234 -0.121 4.154 1.00 1.72 H new ATOM 0 HD2 PRO A 12 -16.856 -0.059 2.765 1.00 1.41 H new ATOM 0 HD3 PRO A 12 -16.932 -0.595 4.432 1.00 1.41 H new ATOM 186 N GLY A 13 -17.454 -3.231 0.416 1.00 1.20 N ATOM 187 CA GLY A 13 -17.488 -3.054 -1.040 1.00 1.16 C ATOM 188 C GLY A 13 -16.527 -3.946 -1.845 1.00 1.06 C ATOM 189 O GLY A 13 -15.806 -4.758 -1.264 1.00 1.25 O ATOM 0 H GLY A 13 -16.567 -3.605 0.752 1.00 1.20 H new ATOM 0 HA2 GLY A 13 -18.504 -3.242 -1.386 1.00 1.16 H new ATOM 0 HA3 GLY A 13 -17.262 -2.012 -1.266 1.00 1.16 H new ATOM 193 N PRO A 14 -16.514 -3.798 -3.186 1.00 0.97 N ATOM 194 CA PRO A 14 -15.723 -4.621 -4.108 1.00 1.03 C ATOM 195 C PRO A 14 -14.223 -4.299 -4.106 1.00 0.94 C ATOM 196 O PRO A 14 -13.426 -5.061 -4.653 1.00 1.05 O ATOM 197 CB PRO A 14 -16.302 -4.315 -5.489 1.00 1.17 C ATOM 198 CG PRO A 14 -16.819 -2.883 -5.365 1.00 1.17 C ATOM 199 CD PRO A 14 -17.320 -2.833 -3.927 1.00 1.07 C ATOM 0 HA PRO A 14 -15.788 -5.668 -3.813 1.00 1.03 H new ATOM 0 HB2 PRO A 14 -15.544 -4.399 -6.267 1.00 1.17 H new ATOM 0 HB3 PRO A 14 -17.103 -5.007 -5.748 1.00 1.17 H new ATOM 0 HG2 PRO A 14 -16.032 -2.151 -5.546 1.00 1.17 H new ATOM 0 HG3 PRO A 14 -17.616 -2.677 -6.079 1.00 1.17 H new ATOM 0 HD2 PRO A 14 -17.211 -1.832 -3.510 1.00 1.07 H new ATOM 0 HD3 PRO A 14 -18.379 -3.086 -3.874 1.00 1.07 H new ATOM 207 N ASN A 15 -13.843 -3.146 -3.556 1.00 0.93 N ATOM 208 CA ASN A 15 -12.504 -2.602 -3.523 1.00 0.88 C ATOM 209 C ASN A 15 -12.105 -2.050 -2.135 1.00 0.79 C ATOM 210 O ASN A 15 -12.929 -1.909 -1.228 1.00 1.11 O ATOM 211 CB ASN A 15 -12.446 -1.525 -4.621 1.00 1.01 C ATOM 212 CG ASN A 15 -13.497 -0.411 -4.539 1.00 1.30 C ATOM 213 OD1 ASN A 15 -14.232 -0.262 -3.574 1.00 2.20 O ATOM 214 ND2 ASN A 15 -13.604 0.420 -5.562 1.00 1.46 N ATOM 0 H ASN A 15 -14.515 -2.533 -3.093 1.00 0.93 H new ATOM 0 HA ASN A 15 -11.774 -3.390 -3.710 1.00 0.88 H new ATOM 0 HB2 ASN A 15 -11.458 -1.065 -4.597 1.00 1.01 H new ATOM 0 HB3 ASN A 15 -12.545 -2.018 -5.588 1.00 1.01 H new ATOM 0 HD21 ASN A 15 -14.293 1.172 -5.538 1.00 1.46 H new ATOM 0 HD22 ASN A 15 -12.998 0.309 -6.375 1.00 1.46 H new ATOM 221 N ALA A 16 -10.816 -1.710 -1.984 1.00 0.52 N ATOM 222 CA ALA A 16 -10.177 -1.213 -0.760 1.00 0.48 C ATOM 223 C ALA A 16 -8.884 -0.420 -1.051 1.00 0.46 C ATOM 224 O ALA A 16 -8.464 -0.295 -2.203 1.00 0.41 O ATOM 225 CB ALA A 16 -9.915 -2.423 0.153 1.00 0.59 C ATOM 0 H ALA A 16 -10.156 -1.779 -2.758 1.00 0.52 H new ATOM 0 HA ALA A 16 -10.840 -0.504 -0.263 1.00 0.48 H new ATOM 0 HB1 ALA A 16 -9.439 -2.087 1.074 1.00 0.59 H new ATOM 0 HB2 ALA A 16 -10.860 -2.912 0.390 1.00 0.59 H new ATOM 0 HB3 ALA A 16 -9.260 -3.129 -0.357 1.00 0.59 H new ATOM 231 N ALA A 17 -8.214 0.066 -0.002 1.00 0.57 N ATOM 232 CA ALA A 17 -6.840 0.577 -0.032 1.00 0.52 C ATOM 233 C ALA A 17 -5.962 -0.211 0.956 1.00 0.46 C ATOM 234 O ALA A 17 -6.511 -0.827 1.867 1.00 0.61 O ATOM 235 CB ALA A 17 -6.862 2.067 0.321 1.00 0.64 C ATOM 0 H ALA A 17 -8.630 0.116 0.928 1.00 0.57 H new ATOM 0 HA ALA A 17 -6.415 0.452 -1.028 1.00 0.52 H new ATOM 0 HB1 ALA A 17 -5.846 2.460 0.302 1.00 0.64 H new ATOM 0 HB2 ALA A 17 -7.472 2.604 -0.405 1.00 0.64 H new ATOM 0 HB3 ALA A 17 -7.284 2.199 1.317 1.00 0.64 H new ATOM 241 N ALA A 18 -4.634 -0.159 0.859 1.00 0.50 N ATOM 242 CA ALA A 18 -3.755 -0.800 1.847 1.00 0.50 C ATOM 243 C ALA A 18 -2.478 -0.006 2.135 1.00 0.45 C ATOM 244 O ALA A 18 -1.908 0.636 1.245 1.00 0.48 O ATOM 245 CB ALA A 18 -3.428 -2.231 1.405 1.00 0.56 C ATOM 0 H ALA A 18 -4.139 0.320 0.107 1.00 0.50 H new ATOM 0 HA ALA A 18 -4.303 -0.826 2.789 1.00 0.50 H new ATOM 0 HB1 ALA A 18 -2.776 -2.700 2.142 1.00 0.56 H new ATOM 0 HB2 ALA A 18 -4.351 -2.805 1.319 1.00 0.56 H new ATOM 0 HB3 ALA A 18 -2.924 -2.207 0.439 1.00 0.56 H new ATOM 251 N TYR A 19 -2.034 -0.103 3.391 1.00 0.50 N ATOM 252 CA TYR A 19 -0.782 0.439 3.907 1.00 0.66 C ATOM 253 C TYR A 19 0.163 -0.687 4.371 1.00 0.90 C ATOM 254 O TYR A 19 -0.255 -1.817 4.630 1.00 1.92 O ATOM 255 CB TYR A 19 -1.104 1.412 5.048 1.00 0.88 C ATOM 256 CG TYR A 19 -1.988 2.580 4.646 1.00 1.08 C ATOM 257 CD1 TYR A 19 -1.437 3.678 3.957 1.00 2.56 C ATOM 258 CD2 TYR A 19 -3.364 2.573 4.949 1.00 1.57 C ATOM 259 CE1 TYR A 19 -2.245 4.770 3.590 1.00 2.96 C ATOM 260 CE2 TYR A 19 -4.179 3.663 4.584 1.00 1.75 C ATOM 261 CZ TYR A 19 -3.621 4.769 3.906 1.00 1.99 C ATOM 262 OH TYR A 19 -4.401 5.831 3.562 1.00 2.50 O ATOM 0 H TYR A 19 -2.570 -0.588 4.111 1.00 0.50 H new ATOM 0 HA TYR A 19 -0.260 0.975 3.114 1.00 0.66 H new ATOM 0 HB2 TYR A 19 -1.593 0.861 5.851 1.00 0.88 H new ATOM 0 HB3 TYR A 19 -0.169 1.802 5.452 1.00 0.88 H new ATOM 0 HD1 TYR A 19 -0.386 3.682 3.708 1.00 2.56 H new ATOM 0 HD2 TYR A 19 -3.796 1.728 5.464 1.00 1.57 H new ATOM 0 HE1 TYR A 19 -1.812 5.610 3.066 1.00 2.96 H new ATOM 0 HE2 TYR A 19 -5.232 3.653 4.823 1.00 1.75 H new ATOM 0 HH TYR A 19 -5.202 5.511 3.097 1.00 2.50 H new ATOM 272 N LEU A 20 1.454 -0.361 4.487 1.00 0.98 N ATOM 273 CA LEU A 20 2.568 -1.284 4.716 1.00 1.08 C ATOM 274 C LEU A 20 3.639 -0.601 5.572 1.00 0.96 C ATOM 275 O LEU A 20 4.003 0.535 5.266 1.00 1.12 O ATOM 276 CB LEU A 20 3.126 -1.706 3.341 1.00 1.91 C ATOM 277 CG LEU A 20 4.481 -2.448 3.346 1.00 2.18 C ATOM 278 CD1 LEU A 20 4.366 -3.841 3.985 1.00 2.52 C ATOM 279 CD2 LEU A 20 5.007 -2.572 1.909 1.00 2.99 C ATOM 0 H LEU A 20 1.766 0.608 4.420 1.00 0.98 H new ATOM 0 HA LEU A 20 2.236 -2.171 5.256 1.00 1.08 H new ATOM 0 HB2 LEU A 20 2.389 -2.345 2.855 1.00 1.91 H new ATOM 0 HB3 LEU A 20 3.228 -0.812 2.725 1.00 1.91 H new ATOM 0 HG LEU A 20 5.180 -1.866 3.947 1.00 2.18 H new ATOM 0 HD11 LEU A 20 5.340 -4.330 3.969 1.00 2.52 H new ATOM 0 HD12 LEU A 20 4.027 -3.741 5.016 1.00 2.52 H new ATOM 0 HD13 LEU A 20 3.650 -4.441 3.424 1.00 2.52 H new ATOM 0 HD21 LEU A 20 5.963 -3.096 1.915 1.00 2.99 H new ATOM 0 HD22 LEU A 20 4.291 -3.131 1.306 1.00 2.99 H new ATOM 0 HD23 LEU A 20 5.141 -1.577 1.484 1.00 2.99 H new ATOM 291 N THR A 21 4.203 -1.346 6.529 1.00 1.05 N ATOM 292 CA THR A 21 5.489 -1.063 7.180 1.00 1.27 C ATOM 293 C THR A 21 6.302 -2.362 7.161 1.00 1.97 C ATOM 294 O THR A 21 5.743 -3.427 7.421 1.00 2.37 O ATOM 295 CB THR A 21 5.303 -0.552 8.618 1.00 1.56 C ATOM 296 OG1 THR A 21 4.312 0.450 8.676 1.00 2.05 O ATOM 297 CG2 THR A 21 6.587 0.046 9.191 1.00 2.03 C ATOM 0 H THR A 21 3.761 -2.194 6.885 1.00 1.05 H new ATOM 0 HA THR A 21 6.011 -0.271 6.643 1.00 1.27 H new ATOM 0 HB THR A 21 5.010 -1.422 9.205 1.00 1.56 H new ATOM 0 HG1 THR A 21 3.456 0.049 8.935 1.00 2.05 H new ATOM 0 HG21 THR A 21 6.405 0.393 10.208 1.00 2.03 H new ATOM 0 HG22 THR A 21 7.369 -0.713 9.201 1.00 2.03 H new ATOM 0 HG23 THR A 21 6.905 0.886 8.573 1.00 2.03 H new ATOM 305 N LEU A 22 7.579 -2.271 6.775 1.00 2.33 N ATOM 306 CA LEU A 22 8.561 -3.363 6.602 1.00 2.99 C ATOM 307 C LEU A 22 9.988 -2.766 6.651 1.00 2.29 C ATOM 308 O LEU A 22 10.136 -1.552 6.813 1.00 2.12 O ATOM 309 CB LEU A 22 8.202 -4.111 5.288 1.00 3.89 C ATOM 310 CG LEU A 22 9.129 -5.236 4.780 1.00 4.59 C ATOM 311 CD1 LEU A 22 9.291 -6.371 5.800 1.00 5.42 C ATOM 312 CD2 LEU A 22 8.588 -5.785 3.457 1.00 4.38 C ATOM 0 H LEU A 22 7.992 -1.364 6.557 1.00 2.33 H new ATOM 0 HA LEU A 22 8.530 -4.102 7.403 1.00 2.99 H new ATOM 0 HB2 LEU A 22 7.208 -4.539 5.416 1.00 3.89 H new ATOM 0 HB3 LEU A 22 8.128 -3.365 4.497 1.00 3.89 H new ATOM 0 HG LEU A 22 10.119 -4.805 4.629 1.00 4.59 H new ATOM 0 HD11 LEU A 22 9.952 -7.135 5.392 1.00 5.42 H new ATOM 0 HD12 LEU A 22 9.719 -5.974 6.721 1.00 5.42 H new ATOM 0 HD13 LEU A 22 8.317 -6.811 6.013 1.00 5.42 H new ATOM 0 HD21 LEU A 22 9.242 -6.579 3.098 1.00 4.38 H new ATOM 0 HD22 LEU A 22 7.585 -6.183 3.611 1.00 4.38 H new ATOM 0 HD23 LEU A 22 8.551 -4.984 2.719 1.00 4.38 H new ATOM 324 N GLU A 23 11.046 -3.560 6.480 1.00 1.99 N ATOM 325 CA GLU A 23 12.438 -3.128 6.319 1.00 1.43 C ATOM 326 C GLU A 23 13.154 -3.871 5.187 1.00 1.36 C ATOM 327 O GLU A 23 12.842 -5.015 4.865 1.00 1.72 O ATOM 328 CB GLU A 23 13.243 -3.254 7.627 1.00 1.80 C ATOM 329 CG GLU A 23 13.184 -4.631 8.317 1.00 2.78 C ATOM 330 CD GLU A 23 12.139 -4.625 9.426 1.00 2.57 C ATOM 331 OE1 GLU A 23 10.930 -4.594 9.101 1.00 2.88 O ATOM 332 OE2 GLU A 23 12.523 -4.468 10.605 1.00 3.37 O ATOM 0 H GLU A 23 10.952 -4.575 6.448 1.00 1.99 H new ATOM 0 HA GLU A 23 12.388 -2.073 6.050 1.00 1.43 H new ATOM 0 HB2 GLU A 23 14.286 -3.019 7.414 1.00 1.80 H new ATOM 0 HB3 GLU A 23 12.883 -2.501 8.328 1.00 1.80 H new ATOM 0 HG2 GLU A 23 12.942 -5.402 7.585 1.00 2.78 H new ATOM 0 HG3 GLU A 23 14.161 -4.880 8.731 1.00 2.78 H new ATOM 339 N ASN A 24 14.140 -3.195 4.595 1.00 1.07 N ATOM 340 CA ASN A 24 15.115 -3.756 3.669 1.00 1.06 C ATOM 341 C ASN A 24 16.343 -4.210 4.476 1.00 1.05 C ATOM 342 O ASN A 24 17.108 -3.358 4.934 1.00 1.04 O ATOM 343 CB ASN A 24 15.530 -2.678 2.650 1.00 1.09 C ATOM 344 CG ASN A 24 16.451 -3.234 1.568 1.00 1.15 C ATOM 345 OD1 ASN A 24 16.766 -4.417 1.520 1.00 1.73 O ATOM 346 ND2 ASN A 24 16.905 -2.386 0.669 1.00 0.96 N ATOM 0 H ASN A 24 14.284 -2.198 4.757 1.00 1.07 H new ATOM 0 HA ASN A 24 14.687 -4.604 3.134 1.00 1.06 H new ATOM 0 HB2 ASN A 24 14.638 -2.257 2.185 1.00 1.09 H new ATOM 0 HB3 ASN A 24 16.033 -1.863 3.170 1.00 1.09 H new ATOM 0 HD21 ASN A 24 17.523 -2.713 -0.074 1.00 0.96 H new ATOM 0 HD22 ASN A 24 16.638 -1.403 0.715 1.00 0.96 H new ATOM 353 N PRO A 25 16.563 -5.520 4.667 1.00 1.14 N ATOM 354 CA PRO A 25 17.739 -6.011 5.378 1.00 1.20 C ATOM 355 C PRO A 25 19.013 -6.015 4.525 1.00 1.15 C ATOM 356 O PRO A 25 20.100 -6.173 5.081 1.00 1.24 O ATOM 357 CB PRO A 25 17.357 -7.436 5.800 1.00 1.38 C ATOM 358 CG PRO A 25 16.425 -7.880 4.670 1.00 1.38 C ATOM 359 CD PRO A 25 15.650 -6.610 4.359 1.00 1.27 C ATOM 0 HA PRO A 25 17.984 -5.361 6.218 1.00 1.20 H new ATOM 0 HB2 PRO A 25 18.231 -8.082 5.882 1.00 1.38 H new ATOM 0 HB3 PRO A 25 16.856 -7.452 6.768 1.00 1.38 H new ATOM 0 HG2 PRO A 25 16.981 -8.238 3.803 1.00 1.38 H new ATOM 0 HG3 PRO A 25 15.766 -8.690 4.983 1.00 1.38 H new ATOM 0 HD2 PRO A 25 15.343 -6.582 3.314 1.00 1.27 H new ATOM 0 HD3 PRO A 25 14.743 -6.545 4.960 1.00 1.27 H new ATOM 367 N GLY A 26 18.910 -5.846 3.201 1.00 1.08 N ATOM 368 CA GLY A 26 20.037 -5.928 2.289 1.00 1.16 C ATOM 369 C GLY A 26 20.888 -4.668 2.291 1.00 0.98 C ATOM 370 O GLY A 26 20.580 -3.652 2.910 1.00 1.15 O ATOM 0 H GLY A 26 18.025 -5.646 2.735 1.00 1.08 H new ATOM 0 HA2 GLY A 26 20.658 -6.781 2.562 1.00 1.16 H new ATOM 0 HA3 GLY A 26 19.669 -6.111 1.279 1.00 1.16 H new ATOM 374 N ASP A 27 21.992 -4.785 1.571 1.00 1.02 N ATOM 375 CA ASP A 27 23.039 -3.795 1.361 1.00 1.23 C ATOM 376 C ASP A 27 22.891 -3.099 -0.004 1.00 1.17 C ATOM 377 O ASP A 27 23.611 -2.161 -0.338 1.00 1.34 O ATOM 378 CB ASP A 27 24.345 -4.580 1.481 1.00 1.63 C ATOM 379 CG ASP A 27 24.538 -5.052 2.923 1.00 2.03 C ATOM 380 OD1 ASP A 27 24.023 -6.142 3.264 1.00 2.89 O ATOM 381 OD2 ASP A 27 25.010 -4.260 3.763 1.00 2.63 O ATOM 0 H ASP A 27 22.197 -5.652 1.074 1.00 1.02 H new ATOM 0 HA ASP A 27 22.996 -2.984 2.088 1.00 1.23 H new ATOM 0 HB2 ASP A 27 24.327 -5.437 0.808 1.00 1.63 H new ATOM 0 HB3 ASP A 27 25.185 -3.954 1.178 1.00 1.63 H new ATOM 386 N LEU A 28 21.887 -3.544 -0.765 1.00 1.01 N ATOM 387 CA LEU A 28 21.395 -2.980 -2.015 1.00 0.95 C ATOM 388 C LEU A 28 19.964 -2.432 -1.830 1.00 0.83 C ATOM 389 O LEU A 28 19.258 -2.878 -0.921 1.00 0.83 O ATOM 390 CB LEU A 28 21.545 -4.057 -3.106 1.00 1.07 C ATOM 391 CG LEU A 28 20.727 -5.360 -2.930 1.00 1.59 C ATOM 392 CD1 LEU A 28 19.277 -5.245 -3.431 1.00 2.06 C ATOM 393 CD2 LEU A 28 21.409 -6.495 -3.710 1.00 2.06 C ATOM 0 H LEU A 28 21.358 -4.374 -0.497 1.00 1.01 H new ATOM 0 HA LEU A 28 21.977 -2.115 -2.334 1.00 0.95 H new ATOM 0 HB2 LEU A 28 21.269 -3.611 -4.061 1.00 1.07 H new ATOM 0 HB3 LEU A 28 22.599 -4.326 -3.173 1.00 1.07 H new ATOM 0 HG LEU A 28 20.694 -5.561 -1.859 1.00 1.59 H new ATOM 0 HD11 LEU A 28 18.763 -6.194 -3.277 1.00 2.06 H new ATOM 0 HD12 LEU A 28 18.762 -4.459 -2.878 1.00 2.06 H new ATOM 0 HD13 LEU A 28 19.277 -5.001 -4.493 1.00 2.06 H new ATOM 0 HD21 LEU A 28 20.837 -7.415 -3.589 1.00 2.06 H new ATOM 0 HD22 LEU A 28 21.456 -6.233 -4.767 1.00 2.06 H new ATOM 0 HD23 LEU A 28 22.419 -6.643 -3.328 1.00 2.06 H new ATOM 405 N PRO A 29 19.518 -1.472 -2.662 1.00 0.81 N ATOM 406 CA PRO A 29 18.222 -0.823 -2.498 1.00 0.77 C ATOM 407 C PRO A 29 17.083 -1.710 -3.023 1.00 0.74 C ATOM 408 O PRO A 29 17.272 -2.496 -3.952 1.00 0.82 O ATOM 409 CB PRO A 29 18.328 0.491 -3.278 1.00 0.81 C ATOM 410 CG PRO A 29 19.309 0.154 -4.402 1.00 0.88 C ATOM 411 CD PRO A 29 20.242 -0.890 -3.782 1.00 0.87 C ATOM 0 HA PRO A 29 17.987 -0.644 -1.449 1.00 0.77 H new ATOM 0 HB2 PRO A 29 17.361 0.806 -3.669 1.00 0.81 H new ATOM 0 HB3 PRO A 29 18.698 1.302 -2.651 1.00 0.81 H new ATOM 0 HG2 PRO A 29 18.793 -0.242 -5.276 1.00 0.88 H new ATOM 0 HG3 PRO A 29 19.859 1.036 -4.729 1.00 0.88 H new ATOM 0 HD2 PRO A 29 20.509 -1.655 -4.512 1.00 0.87 H new ATOM 0 HD3 PRO A 29 21.172 -0.430 -3.447 1.00 0.87 H new ATOM 419 N LEU A 30 15.889 -1.545 -2.446 1.00 0.68 N ATOM 420 CA LEU A 30 14.644 -2.107 -2.968 1.00 0.65 C ATOM 421 C LEU A 30 13.848 -1.066 -3.751 1.00 0.58 C ATOM 422 O LEU A 30 13.893 0.132 -3.492 1.00 0.57 O ATOM 423 CB LEU A 30 13.775 -2.687 -1.835 1.00 0.70 C ATOM 424 CG LEU A 30 14.297 -4.034 -1.321 1.00 0.71 C ATOM 425 CD1 LEU A 30 13.602 -4.405 -0.002 1.00 1.76 C ATOM 426 CD2 LEU A 30 14.118 -5.207 -2.292 1.00 1.61 C ATOM 0 H LEU A 30 15.760 -1.008 -1.589 1.00 0.68 H new ATOM 0 HA LEU A 30 14.918 -2.915 -3.646 1.00 0.65 H new ATOM 0 HB2 LEU A 30 13.740 -1.976 -1.009 1.00 0.70 H new ATOM 0 HB3 LEU A 30 12.753 -2.810 -2.193 1.00 0.70 H new ATOM 0 HG LEU A 30 15.369 -3.883 -1.191 1.00 0.71 H new ATOM 0 HD11 LEU A 30 13.982 -5.363 0.352 1.00 1.76 H new ATOM 0 HD12 LEU A 30 13.804 -3.637 0.744 1.00 1.76 H new ATOM 0 HD13 LEU A 30 12.527 -4.479 -0.165 1.00 1.76 H new ATOM 0 HD21 LEU A 30 14.517 -6.116 -1.842 1.00 1.61 H new ATOM 0 HD22 LEU A 30 13.058 -5.343 -2.507 1.00 1.61 H new ATOM 0 HD23 LEU A 30 14.652 -4.997 -3.219 1.00 1.61 H new ATOM 438 N ARG A 31 13.047 -1.592 -4.669 1.00 0.59 N ATOM 439 CA ARG A 31 12.130 -0.820 -5.524 1.00 0.54 C ATOM 440 C ARG A 31 10.821 -1.573 -5.697 1.00 0.55 C ATOM 441 O ARG A 31 10.813 -2.636 -6.316 1.00 0.56 O ATOM 442 CB ARG A 31 12.786 -0.565 -6.885 1.00 0.54 C ATOM 443 CG ARG A 31 11.887 0.236 -7.847 1.00 0.61 C ATOM 444 CD ARG A 31 12.610 1.376 -8.575 1.00 0.70 C ATOM 445 NE ARG A 31 13.731 0.921 -9.422 1.00 1.30 N ATOM 446 CZ ARG A 31 14.998 1.312 -9.301 1.00 1.15 C ATOM 447 NH1 ARG A 31 15.457 1.921 -8.235 1.00 1.87 N ATOM 448 NH2 ARG A 31 15.846 1.088 -10.280 1.00 2.37 N ATOM 0 H ARG A 31 13.010 -2.595 -4.851 1.00 0.59 H new ATOM 0 HA ARG A 31 11.917 0.138 -5.051 1.00 0.54 H new ATOM 0 HB2 ARG A 31 13.721 -0.025 -6.736 1.00 0.54 H new ATOM 0 HB3 ARG A 31 13.040 -1.520 -7.344 1.00 0.54 H new ATOM 0 HG2 ARG A 31 11.467 -0.445 -8.587 1.00 0.61 H new ATOM 0 HG3 ARG A 31 11.050 0.651 -7.285 1.00 0.61 H new ATOM 0 HD2 ARG A 31 11.892 1.913 -9.195 1.00 0.70 H new ATOM 0 HD3 ARG A 31 12.987 2.085 -7.838 1.00 0.70 H new ATOM 0 HE ARG A 31 13.517 0.252 -10.161 1.00 1.30 H new ATOM 0 HH11 ARG A 31 14.834 2.115 -7.451 1.00 1.87 H new ATOM 0 HH12 ARG A 31 16.437 2.201 -8.190 1.00 1.87 H new ATOM 0 HH21 ARG A 31 15.533 0.616 -11.128 1.00 2.37 H new ATOM 0 HH22 ARG A 31 16.817 1.386 -10.191 1.00 2.37 H new ATOM 462 N LEU A 32 9.739 -1.059 -5.119 1.00 0.57 N ATOM 463 CA LEU A 32 8.431 -1.711 -5.006 1.00 0.54 C ATOM 464 C LEU A 32 7.514 -1.214 -6.120 1.00 0.61 C ATOM 465 O LEU A 32 7.123 -0.052 -6.099 1.00 0.64 O ATOM 466 CB LEU A 32 7.886 -1.369 -3.611 1.00 0.49 C ATOM 467 CG LEU A 32 6.486 -1.921 -3.266 1.00 0.55 C ATOM 468 CD1 LEU A 32 6.434 -3.452 -3.346 1.00 1.53 C ATOM 469 CD2 LEU A 32 6.113 -1.476 -1.843 1.00 1.78 C ATOM 0 H LEU A 32 9.747 -0.131 -4.695 1.00 0.57 H new ATOM 0 HA LEU A 32 8.500 -2.793 -5.116 1.00 0.54 H new ATOM 0 HB2 LEU A 32 8.592 -1.740 -2.868 1.00 0.49 H new ATOM 0 HB3 LEU A 32 7.859 -0.284 -3.511 1.00 0.49 H new ATOM 0 HG LEU A 32 5.779 -1.527 -3.996 1.00 0.55 H new ATOM 0 HD11 LEU A 32 5.430 -3.796 -3.095 1.00 1.53 H new ATOM 0 HD12 LEU A 32 6.685 -3.772 -4.357 1.00 1.53 H new ATOM 0 HD13 LEU A 32 7.149 -3.878 -2.642 1.00 1.53 H new ATOM 0 HD21 LEU A 32 5.125 -1.861 -1.589 1.00 1.78 H new ATOM 0 HD22 LEU A 32 6.847 -1.864 -1.136 1.00 1.78 H new ATOM 0 HD23 LEU A 32 6.102 -0.387 -1.793 1.00 1.78 H new ATOM 481 N VAL A 33 7.188 -2.090 -7.068 1.00 0.66 N ATOM 482 CA VAL A 33 6.526 -1.736 -8.342 1.00 0.69 C ATOM 483 C VAL A 33 5.098 -2.308 -8.448 1.00 0.67 C ATOM 484 O VAL A 33 4.322 -1.873 -9.292 1.00 0.69 O ATOM 485 CB VAL A 33 7.356 -2.213 -9.567 1.00 0.75 C ATOM 486 CG1 VAL A 33 8.830 -1.773 -9.492 1.00 0.66 C ATOM 487 CG2 VAL A 33 7.364 -3.742 -9.775 1.00 0.89 C ATOM 0 H VAL A 33 7.376 -3.089 -6.980 1.00 0.66 H new ATOM 0 HA VAL A 33 6.460 -0.648 -8.348 1.00 0.69 H new ATOM 0 HB VAL A 33 6.845 -1.738 -10.404 1.00 0.75 H new ATOM 0 HG11 VAL A 33 9.362 -2.133 -10.372 1.00 0.66 H new ATOM 0 HG12 VAL A 33 8.883 -0.685 -9.455 1.00 0.66 H new ATOM 0 HG13 VAL A 33 9.289 -2.189 -8.595 1.00 0.66 H new ATOM 0 HG21 VAL A 33 7.966 -3.987 -10.650 1.00 0.89 H new ATOM 0 HG22 VAL A 33 7.788 -4.227 -8.896 1.00 0.89 H new ATOM 0 HG23 VAL A 33 6.344 -4.094 -9.926 1.00 0.89 H new ATOM 497 N GLY A 34 4.764 -3.316 -7.629 1.00 0.65 N ATOM 498 CA GLY A 34 3.450 -3.970 -7.578 1.00 0.68 C ATOM 499 C GLY A 34 3.208 -4.705 -6.272 1.00 0.63 C ATOM 500 O GLY A 34 4.037 -4.693 -5.361 1.00 0.62 O ATOM 0 H GLY A 34 5.425 -3.712 -6.961 1.00 0.65 H new ATOM 0 HA2 GLY A 34 2.671 -3.221 -7.717 1.00 0.68 H new ATOM 0 HA3 GLY A 34 3.367 -4.674 -8.406 1.00 0.68 H new ATOM 504 N ALA A 35 2.081 -5.407 -6.225 1.00 0.65 N ATOM 505 CA ALA A 35 1.747 -6.358 -5.174 1.00 0.63 C ATOM 506 C ALA A 35 0.917 -7.543 -5.723 1.00 0.65 C ATOM 507 O ALA A 35 0.642 -7.618 -6.922 1.00 0.67 O ATOM 508 CB ALA A 35 1.070 -5.582 -4.031 1.00 0.60 C ATOM 0 H ALA A 35 1.355 -5.327 -6.937 1.00 0.65 H new ATOM 0 HA ALA A 35 2.645 -6.829 -4.773 1.00 0.63 H new ATOM 0 HB1 ALA A 35 0.808 -6.271 -3.228 1.00 0.60 H new ATOM 0 HB2 ALA A 35 1.755 -4.824 -3.650 1.00 0.60 H new ATOM 0 HB3 ALA A 35 0.166 -5.100 -4.404 1.00 0.60 H new ATOM 514 N ARG A 36 0.518 -8.459 -4.836 1.00 0.69 N ATOM 515 CA ARG A 36 -0.513 -9.501 -5.002 1.00 0.70 C ATOM 516 C ARG A 36 -1.016 -9.909 -3.604 1.00 0.71 C ATOM 517 O ARG A 36 -0.548 -9.386 -2.595 1.00 0.75 O ATOM 518 CB ARG A 36 -0.024 -10.733 -5.806 1.00 0.99 C ATOM 519 CG ARG A 36 -0.073 -10.613 -7.328 1.00 1.69 C ATOM 520 CD ARG A 36 -0.110 -12.022 -7.939 1.00 2.05 C ATOM 521 NE ARG A 36 -0.426 -11.991 -9.377 1.00 3.24 N ATOM 522 CZ ARG A 36 -0.843 -13.024 -10.104 1.00 4.15 C ATOM 523 NH1 ARG A 36 -0.957 -14.238 -9.601 1.00 4.35 N ATOM 524 NH2 ARG A 36 -1.163 -12.862 -11.371 1.00 5.37 N ATOM 0 H ARG A 36 0.938 -8.499 -3.907 1.00 0.69 H new ATOM 0 HA ARG A 36 -1.327 -9.083 -5.595 1.00 0.70 H new ATOM 0 HB2 ARG A 36 1.004 -10.946 -5.513 1.00 0.99 H new ATOM 0 HB3 ARG A 36 -0.625 -11.594 -5.511 1.00 0.99 H new ATOM 0 HG2 ARG A 36 -0.953 -10.047 -7.633 1.00 1.69 H new ATOM 0 HG3 ARG A 36 0.798 -10.068 -7.691 1.00 1.69 H new ATOM 0 HD2 ARG A 36 0.855 -12.507 -7.790 1.00 2.05 H new ATOM 0 HD3 ARG A 36 -0.854 -12.624 -7.417 1.00 2.05 H new ATOM 0 HE ARG A 36 -0.315 -11.098 -9.858 1.00 3.24 H new ATOM 0 HH11 ARG A 36 -0.722 -14.409 -8.623 1.00 4.35 H new ATOM 0 HH12 ARG A 36 -1.280 -15.006 -10.190 1.00 4.35 H new ATOM 0 HH21 ARG A 36 -1.092 -11.940 -11.801 1.00 5.37 H new ATOM 0 HH22 ARG A 36 -1.482 -13.659 -11.922 1.00 5.37 H new ATOM 538 N THR A 37 -1.989 -10.817 -3.530 1.00 0.79 N ATOM 539 CA THR A 37 -2.631 -11.323 -2.304 1.00 0.92 C ATOM 540 C THR A 37 -3.647 -12.388 -2.690 1.00 0.94 C ATOM 541 O THR A 37 -4.169 -12.319 -3.806 1.00 0.87 O ATOM 542 CB THR A 37 -3.267 -10.194 -1.471 1.00 0.97 C ATOM 543 OG1 THR A 37 -4.117 -10.696 -0.476 1.00 1.14 O ATOM 544 CG2 THR A 37 -4.099 -9.190 -2.269 1.00 0.86 C ATOM 0 H THR A 37 -2.377 -11.248 -4.369 1.00 0.79 H new ATOM 0 HA THR A 37 -1.871 -11.767 -1.661 1.00 0.92 H new ATOM 0 HB THR A 37 -2.399 -9.683 -1.056 1.00 0.97 H new ATOM 0 HG1 THR A 37 -3.633 -10.744 0.375 1.00 1.14 H new ATOM 0 HG21 THR A 37 -4.504 -8.435 -1.595 1.00 0.86 H new ATOM 0 HG22 THR A 37 -3.469 -8.708 -3.017 1.00 0.86 H new ATOM 0 HG23 THR A 37 -4.918 -9.710 -2.766 1.00 0.86 H new ATOM 552 N PRO A 38 -3.993 -13.327 -1.791 1.00 1.05 N ATOM 553 CA PRO A 38 -5.134 -14.218 -1.979 1.00 0.97 C ATOM 554 C PRO A 38 -6.496 -13.509 -1.931 1.00 0.88 C ATOM 555 O PRO A 38 -7.501 -14.136 -2.253 1.00 0.90 O ATOM 556 CB PRO A 38 -4.995 -15.257 -0.868 1.00 1.04 C ATOM 557 CG PRO A 38 -4.226 -14.550 0.242 1.00 1.17 C ATOM 558 CD PRO A 38 -3.307 -13.612 -0.534 1.00 1.24 C ATOM 0 HA PRO A 38 -5.118 -14.658 -2.976 1.00 0.97 H new ATOM 0 HB2 PRO A 38 -5.971 -15.594 -0.519 1.00 1.04 H new ATOM 0 HB3 PRO A 38 -4.460 -16.140 -1.218 1.00 1.04 H new ATOM 0 HG2 PRO A 38 -4.891 -14.004 0.911 1.00 1.17 H new ATOM 0 HG3 PRO A 38 -3.663 -15.253 0.856 1.00 1.17 H new ATOM 0 HD2 PRO A 38 -3.122 -12.695 0.026 1.00 1.24 H new ATOM 0 HD3 PRO A 38 -2.338 -14.077 -0.715 1.00 1.24 H new ATOM 566 N VAL A 39 -6.533 -12.227 -1.545 1.00 0.88 N ATOM 567 CA VAL A 39 -7.759 -11.400 -1.456 1.00 0.84 C ATOM 568 C VAL A 39 -7.738 -10.144 -2.347 1.00 0.81 C ATOM 569 O VAL A 39 -8.100 -9.042 -1.940 1.00 0.92 O ATOM 570 CB VAL A 39 -8.173 -11.105 0.011 1.00 0.96 C ATOM 571 CG1 VAL A 39 -8.679 -12.386 0.695 1.00 0.98 C ATOM 572 CG2 VAL A 39 -7.047 -10.499 0.853 1.00 1.21 C ATOM 0 H VAL A 39 -5.692 -11.716 -1.277 1.00 0.88 H new ATOM 0 HA VAL A 39 -8.552 -12.017 -1.879 1.00 0.84 H new ATOM 0 HB VAL A 39 -8.969 -10.363 -0.048 1.00 0.96 H new ATOM 0 HG11 VAL A 39 -8.965 -12.161 1.723 1.00 0.98 H new ATOM 0 HG12 VAL A 39 -9.543 -12.770 0.154 1.00 0.98 H new ATOM 0 HG13 VAL A 39 -7.888 -13.136 0.694 1.00 0.98 H new ATOM 0 HG21 VAL A 39 -7.407 -10.319 1.866 1.00 1.21 H new ATOM 0 HG22 VAL A 39 -6.204 -11.190 0.885 1.00 1.21 H new ATOM 0 HG23 VAL A 39 -6.727 -9.556 0.409 1.00 1.21 H new ATOM 582 N ALA A 40 -7.375 -10.330 -3.624 1.00 0.74 N ATOM 583 CA ALA A 40 -7.607 -9.361 -4.699 1.00 0.68 C ATOM 584 C ALA A 40 -7.513 -9.997 -6.096 1.00 0.70 C ATOM 585 O ALA A 40 -6.971 -11.087 -6.270 1.00 1.07 O ATOM 586 CB ALA A 40 -6.626 -8.178 -4.578 1.00 0.78 C ATOM 0 H ALA A 40 -6.903 -11.176 -3.943 1.00 0.74 H new ATOM 0 HA ALA A 40 -8.627 -8.995 -4.584 1.00 0.68 H new ATOM 0 HB1 ALA A 40 -6.812 -7.468 -5.384 1.00 0.78 H new ATOM 0 HB2 ALA A 40 -6.770 -7.683 -3.618 1.00 0.78 H new ATOM 0 HB3 ALA A 40 -5.602 -8.546 -4.647 1.00 0.78 H new ATOM 592 N GLU A 41 -8.042 -9.285 -7.090 1.00 0.54 N ATOM 593 CA GLU A 41 -7.932 -9.556 -8.531 1.00 0.67 C ATOM 594 C GLU A 41 -6.793 -8.739 -9.174 1.00 0.61 C ATOM 595 O GLU A 41 -6.135 -9.185 -10.111 1.00 0.91 O ATOM 596 CB GLU A 41 -9.270 -9.148 -9.187 1.00 0.95 C ATOM 597 CG GLU A 41 -9.581 -9.888 -10.492 1.00 1.32 C ATOM 598 CD GLU A 41 -9.889 -11.346 -10.177 1.00 1.68 C ATOM 599 OE1 GLU A 41 -10.941 -11.610 -9.552 1.00 2.84 O ATOM 600 OE2 GLU A 41 -8.999 -12.202 -10.369 1.00 2.36 O ATOM 0 H GLU A 41 -8.595 -8.449 -6.903 1.00 0.54 H new ATOM 0 HA GLU A 41 -7.713 -10.613 -8.681 1.00 0.67 H new ATOM 0 HB2 GLU A 41 -10.079 -9.328 -8.479 1.00 0.95 H new ATOM 0 HB3 GLU A 41 -9.253 -8.076 -9.385 1.00 0.95 H new ATOM 0 HG2 GLU A 41 -10.430 -9.424 -10.994 1.00 1.32 H new ATOM 0 HG3 GLU A 41 -8.733 -9.822 -11.173 1.00 1.32 H new ATOM 607 N ARG A 42 -6.567 -7.528 -8.652 1.00 0.71 N ATOM 608 CA ARG A 42 -5.615 -6.515 -9.091 1.00 0.78 C ATOM 609 C ARG A 42 -5.271 -5.607 -7.906 1.00 0.62 C ATOM 610 O ARG A 42 -6.039 -5.523 -6.941 1.00 0.79 O ATOM 611 CB ARG A 42 -6.214 -5.681 -10.230 1.00 1.00 C ATOM 612 CG ARG A 42 -6.128 -6.371 -11.602 1.00 1.67 C ATOM 613 CD ARG A 42 -5.988 -5.341 -12.727 1.00 2.37 C ATOM 614 NE ARG A 42 -4.691 -4.650 -12.634 1.00 3.79 N ATOM 615 CZ ARG A 42 -3.540 -4.964 -13.206 1.00 5.19 C ATOM 616 NH1 ARG A 42 -3.460 -5.903 -14.128 1.00 5.75 N ATOM 617 NH2 ARG A 42 -2.450 -4.344 -12.812 1.00 6.76 N ATOM 0 H ARG A 42 -7.095 -7.209 -7.840 1.00 0.71 H new ATOM 0 HA ARG A 42 -4.711 -7.002 -9.457 1.00 0.78 H new ATOM 0 HB2 ARG A 42 -7.259 -5.467 -10.004 1.00 1.00 H new ATOM 0 HB3 ARG A 42 -5.696 -4.723 -10.280 1.00 1.00 H new ATOM 0 HG2 ARG A 42 -5.276 -7.051 -11.618 1.00 1.67 H new ATOM 0 HG3 ARG A 42 -7.021 -6.975 -11.766 1.00 1.67 H new ATOM 0 HD2 ARG A 42 -6.075 -5.836 -13.694 1.00 2.37 H new ATOM 0 HD3 ARG A 42 -6.799 -4.615 -12.667 1.00 2.37 H new ATOM 0 HE ARG A 42 -4.678 -3.815 -12.048 1.00 3.79 H new ATOM 0 HH11 ARG A 42 -4.298 -6.407 -14.416 1.00 5.75 H new ATOM 0 HH12 ARG A 42 -2.560 -6.125 -14.553 1.00 5.75 H new ATOM 0 HH21 ARG A 42 -2.502 -3.637 -12.079 1.00 6.76 H new ATOM 0 HH22 ARG A 42 -1.552 -4.570 -13.239 1.00 6.76 H new ATOM 631 N VAL A 43 -4.113 -4.959 -7.969 1.00 0.66 N ATOM 632 CA VAL A 43 -3.523 -4.169 -6.893 1.00 0.62 C ATOM 633 C VAL A 43 -2.514 -3.166 -7.437 1.00 0.94 C ATOM 634 O VAL A 43 -1.426 -3.513 -7.899 1.00 1.77 O ATOM 635 CB VAL A 43 -2.954 -5.066 -5.795 1.00 0.73 C ATOM 636 CG1 VAL A 43 -1.806 -5.987 -6.234 1.00 1.13 C ATOM 637 CG2 VAL A 43 -2.571 -4.261 -4.547 1.00 0.77 C ATOM 0 H VAL A 43 -3.534 -4.970 -8.809 1.00 0.66 H new ATOM 0 HA VAL A 43 -4.312 -3.581 -6.423 1.00 0.62 H new ATOM 0 HB VAL A 43 -3.774 -5.739 -5.544 1.00 0.73 H new ATOM 0 HG11 VAL A 43 -1.472 -6.582 -5.384 1.00 1.13 H new ATOM 0 HG12 VAL A 43 -2.154 -6.649 -7.027 1.00 1.13 H new ATOM 0 HG13 VAL A 43 -0.976 -5.384 -6.603 1.00 1.13 H new ATOM 0 HG21 VAL A 43 -2.170 -4.934 -3.789 1.00 0.77 H new ATOM 0 HG22 VAL A 43 -1.816 -3.520 -4.810 1.00 0.77 H new ATOM 0 HG23 VAL A 43 -3.454 -3.756 -4.154 1.00 0.77 H new ATOM 647 N GLU A 44 -2.930 -1.910 -7.400 1.00 0.49 N ATOM 648 CA GLU A 44 -2.269 -0.808 -8.096 1.00 0.49 C ATOM 649 C GLU A 44 -1.886 0.309 -7.120 1.00 0.58 C ATOM 650 O GLU A 44 -2.648 0.651 -6.216 1.00 1.04 O ATOM 651 CB GLU A 44 -3.172 -0.280 -9.224 1.00 0.86 C ATOM 652 CG GLU A 44 -3.089 -1.118 -10.511 1.00 1.67 C ATOM 653 CD GLU A 44 -3.849 -2.446 -10.463 1.00 3.24 C ATOM 654 OE1 GLU A 44 -5.045 -2.464 -10.798 1.00 3.59 O ATOM 655 OE2 GLU A 44 -3.224 -3.523 -10.307 1.00 4.93 O ATOM 0 H GLU A 44 -3.754 -1.618 -6.875 1.00 0.49 H new ATOM 0 HA GLU A 44 -1.346 -1.180 -8.540 1.00 0.49 H new ATOM 0 HB2 GLU A 44 -4.205 -0.263 -8.876 1.00 0.86 H new ATOM 0 HB3 GLU A 44 -2.895 0.750 -9.450 1.00 0.86 H new ATOM 0 HG2 GLU A 44 -3.475 -0.524 -11.340 1.00 1.67 H new ATOM 0 HG3 GLU A 44 -2.041 -1.323 -10.727 1.00 1.67 H new ATOM 662 N LEU A 45 -0.678 0.850 -7.295 1.00 0.55 N ATOM 663 CA LEU A 45 -0.017 1.762 -6.363 1.00 0.64 C ATOM 664 C LEU A 45 -0.388 3.227 -6.633 1.00 0.59 C ATOM 665 O LEU A 45 -0.206 3.736 -7.743 1.00 0.60 O ATOM 666 CB LEU A 45 1.493 1.515 -6.515 1.00 0.90 C ATOM 667 CG LEU A 45 2.385 2.345 -5.574 1.00 0.92 C ATOM 668 CD1 LEU A 45 2.342 1.833 -4.131 1.00 1.18 C ATOM 669 CD2 LEU A 45 3.826 2.289 -6.086 1.00 1.50 C ATOM 0 H LEU A 45 -0.113 0.656 -8.122 1.00 0.55 H new ATOM 0 HA LEU A 45 -0.340 1.571 -5.340 1.00 0.64 H new ATOM 0 HB2 LEU A 45 1.692 0.458 -6.341 1.00 0.90 H new ATOM 0 HB3 LEU A 45 1.779 1.729 -7.545 1.00 0.90 H new ATOM 0 HG LEU A 45 2.009 3.368 -5.570 1.00 0.92 H new ATOM 0 HD11 LEU A 45 2.987 2.451 -3.506 1.00 1.18 H new ATOM 0 HD12 LEU A 45 1.319 1.883 -3.758 1.00 1.18 H new ATOM 0 HD13 LEU A 45 2.689 0.800 -4.101 1.00 1.18 H new ATOM 0 HD21 LEU A 45 4.469 2.873 -5.428 1.00 1.50 H new ATOM 0 HD22 LEU A 45 4.167 1.254 -6.101 1.00 1.50 H new ATOM 0 HD23 LEU A 45 3.870 2.700 -7.095 1.00 1.50 H new ATOM 681 N HIS A 46 -0.869 3.929 -5.605 1.00 0.61 N ATOM 682 CA HIS A 46 -1.219 5.355 -5.616 1.00 0.59 C ATOM 683 C HIS A 46 -0.407 6.183 -4.614 1.00 0.56 C ATOM 684 O HIS A 46 0.052 5.702 -3.574 1.00 0.59 O ATOM 685 CB HIS A 46 -2.707 5.553 -5.267 1.00 0.66 C ATOM 686 CG HIS A 46 -3.732 4.829 -6.091 1.00 0.57 C ATOM 687 ND1 HIS A 46 -5.062 4.693 -5.735 1.00 0.56 N ATOM 688 CD2 HIS A 46 -3.537 4.140 -7.249 1.00 0.56 C ATOM 689 CE1 HIS A 46 -5.616 3.846 -6.608 1.00 0.62 C ATOM 690 NE2 HIS A 46 -4.725 3.508 -7.555 1.00 0.64 N ATOM 0 H HIS A 46 -1.034 3.498 -4.695 1.00 0.61 H new ATOM 0 HA HIS A 46 -0.995 5.699 -6.626 1.00 0.59 H new ATOM 0 HB2 HIS A 46 -2.847 5.258 -4.227 1.00 0.66 H new ATOM 0 HB3 HIS A 46 -2.924 6.619 -5.328 1.00 0.66 H new ATOM 0 HD2 HIS A 46 -2.622 4.096 -7.822 1.00 0.56 H new ATOM 0 HE1 HIS A 46 -6.633 3.485 -6.559 1.00 0.62 H new ATOM 0 HE2 HIS A 46 -4.895 2.897 -8.353 1.00 0.64 H new ATOM 698 N GLU A 47 -0.360 7.477 -4.902 1.00 0.55 N ATOM 699 CA GLU A 47 -0.083 8.531 -3.926 1.00 0.57 C ATOM 700 C GLU A 47 -1.381 9.242 -3.515 1.00 0.60 C ATOM 701 O GLU A 47 -2.358 9.252 -4.274 1.00 0.84 O ATOM 702 CB GLU A 47 0.958 9.511 -4.493 1.00 0.67 C ATOM 703 CG GLU A 47 0.383 10.540 -5.471 1.00 0.98 C ATOM 704 CD GLU A 47 1.425 11.531 -5.985 1.00 1.21 C ATOM 705 OE1 GLU A 47 2.575 11.144 -6.276 1.00 2.32 O ATOM 706 OE2 GLU A 47 1.038 12.688 -6.247 1.00 2.07 O ATOM 0 H GLU A 47 -0.517 7.835 -5.844 1.00 0.55 H new ATOM 0 HA GLU A 47 0.337 8.085 -3.024 1.00 0.57 H new ATOM 0 HB2 GLU A 47 1.433 10.038 -3.666 1.00 0.67 H new ATOM 0 HB3 GLU A 47 1.739 8.942 -4.998 1.00 0.67 H new ATOM 0 HG2 GLU A 47 -0.061 10.017 -6.318 1.00 0.98 H new ATOM 0 HG3 GLU A 47 -0.420 11.089 -4.979 1.00 0.98 H new ATOM 713 N THR A 48 -1.338 9.891 -2.348 1.00 0.63 N ATOM 714 CA THR A 48 -2.253 10.963 -1.923 1.00 0.57 C ATOM 715 C THR A 48 -1.406 12.230 -1.835 1.00 0.47 C ATOM 716 O THR A 48 -0.312 12.165 -1.272 1.00 0.51 O ATOM 717 CB THR A 48 -2.803 10.664 -0.529 1.00 0.74 C ATOM 718 OG1 THR A 48 -3.407 9.399 -0.492 1.00 0.98 O ATOM 719 CG2 THR A 48 -3.837 11.667 -0.020 1.00 0.79 C ATOM 0 H THR A 48 -0.635 9.677 -1.640 1.00 0.63 H new ATOM 0 HA THR A 48 -3.087 11.059 -2.619 1.00 0.57 H new ATOM 0 HB THR A 48 -1.928 10.722 0.118 1.00 0.74 H new ATOM 0 HG1 THR A 48 -2.746 8.729 -0.220 1.00 0.98 H new ATOM 0 HG21 THR A 48 -4.170 11.373 0.976 1.00 0.79 H new ATOM 0 HG22 THR A 48 -3.389 12.660 0.025 1.00 0.79 H new ATOM 0 HG23 THR A 48 -4.691 11.685 -0.697 1.00 0.79 H new ATOM 727 N PHE A 49 -1.892 13.362 -2.349 1.00 0.53 N ATOM 728 CA PHE A 49 -1.145 14.622 -2.407 1.00 0.61 C ATOM 729 C PHE A 49 -1.915 15.819 -1.834 1.00 0.67 C ATOM 730 O PHE A 49 -3.133 15.798 -1.656 1.00 0.71 O ATOM 731 CB PHE A 49 -0.688 14.888 -3.855 1.00 0.67 C ATOM 732 CG PHE A 49 -1.781 15.044 -4.905 1.00 0.67 C ATOM 733 CD1 PHE A 49 -2.479 16.261 -5.014 1.00 1.99 C ATOM 734 CD2 PHE A 49 -2.066 14.007 -5.818 1.00 1.62 C ATOM 735 CE1 PHE A 49 -3.450 16.445 -6.012 1.00 2.13 C ATOM 736 CE2 PHE A 49 -3.029 14.194 -6.826 1.00 1.58 C ATOM 737 CZ PHE A 49 -3.720 15.413 -6.926 1.00 0.95 C ATOM 0 H PHE A 49 -2.830 13.431 -2.743 1.00 0.53 H new ATOM 0 HA PHE A 49 -0.272 14.508 -1.764 1.00 0.61 H new ATOM 0 HB2 PHE A 49 -0.082 15.794 -3.859 1.00 0.67 H new ATOM 0 HB3 PHE A 49 -0.038 14.069 -4.161 1.00 0.67 H new ATOM 0 HD1 PHE A 49 -2.266 17.063 -4.322 1.00 1.99 H new ATOM 0 HD2 PHE A 49 -1.542 13.065 -5.743 1.00 1.62 H new ATOM 0 HE1 PHE A 49 -3.989 17.379 -6.077 1.00 2.13 H new ATOM 0 HE2 PHE A 49 -3.238 13.398 -7.525 1.00 1.58 H new ATOM 0 HZ PHE A 49 -4.456 15.556 -7.703 1.00 0.95 H new ATOM 747 N MET A 50 -1.181 16.914 -1.612 1.00 0.83 N ATOM 748 CA MET A 50 -1.722 18.250 -1.312 1.00 0.99 C ATOM 749 C MET A 50 -1.704 19.135 -2.565 1.00 0.94 C ATOM 750 O MET A 50 -0.807 19.016 -3.399 1.00 0.84 O ATOM 751 CB MET A 50 -0.903 18.913 -0.195 1.00 1.26 C ATOM 752 CG MET A 50 -0.991 18.153 1.131 1.00 2.34 C ATOM 753 SD MET A 50 -0.188 19.030 2.497 1.00 2.85 S ATOM 754 CE MET A 50 -0.250 17.734 3.759 1.00 4.44 C ATOM 0 H MET A 50 -0.161 16.898 -1.636 1.00 0.83 H new ATOM 0 HA MET A 50 -2.754 18.136 -0.981 1.00 0.99 H new ATOM 0 HB2 MET A 50 0.140 18.977 -0.504 1.00 1.26 H new ATOM 0 HB3 MET A 50 -1.255 19.934 -0.048 1.00 1.26 H new ATOM 0 HG2 MET A 50 -2.039 17.985 1.379 1.00 2.34 H new ATOM 0 HG3 MET A 50 -0.530 17.172 1.014 1.00 2.34 H new ATOM 0 HE1 MET A 50 0.205 18.100 4.679 1.00 4.44 H new ATOM 0 HE2 MET A 50 -1.288 17.462 3.951 1.00 4.44 H new ATOM 0 HE3 MET A 50 0.295 16.858 3.408 1.00 4.44 H new ATOM 764 N ARG A 51 -2.692 20.024 -2.709 1.00 1.09 N ATOM 765 CA ARG A 51 -2.851 20.886 -3.890 1.00 1.05 C ATOM 766 C ARG A 51 -3.636 22.157 -3.560 1.00 1.18 C ATOM 767 O ARG A 51 -4.522 22.140 -2.708 1.00 1.26 O ATOM 768 CB ARG A 51 -3.537 20.096 -5.024 1.00 1.04 C ATOM 769 CG ARG A 51 -2.773 20.144 -6.365 1.00 1.49 C ATOM 770 CD ARG A 51 -3.379 21.161 -7.346 1.00 2.17 C ATOM 771 NE ARG A 51 -2.404 21.758 -8.283 1.00 3.30 N ATOM 772 CZ ARG A 51 -1.600 21.141 -9.148 1.00 3.83 C ATOM 773 NH1 ARG A 51 -1.578 19.830 -9.260 1.00 4.15 N ATOM 774 NH2 ARG A 51 -0.798 21.845 -9.920 1.00 5.02 N ATOM 0 H ARG A 51 -3.413 20.169 -2.002 1.00 1.09 H new ATOM 0 HA ARG A 51 -1.860 21.198 -4.221 1.00 1.05 H new ATOM 0 HB2 ARG A 51 -3.647 19.056 -4.716 1.00 1.04 H new ATOM 0 HB3 ARG A 51 -4.542 20.492 -5.174 1.00 1.04 H new ATOM 0 HG2 ARG A 51 -1.730 20.400 -6.178 1.00 1.49 H new ATOM 0 HG3 ARG A 51 -2.781 19.154 -6.821 1.00 1.49 H new ATOM 0 HD2 ARG A 51 -4.164 20.670 -7.921 1.00 2.17 H new ATOM 0 HD3 ARG A 51 -3.853 21.960 -6.776 1.00 2.17 H new ATOM 0 HE ARG A 51 -2.338 22.776 -8.265 1.00 3.30 H new ATOM 0 HH11 ARG A 51 -2.187 19.258 -8.675 1.00 4.15 H new ATOM 0 HH12 ARG A 51 -0.952 19.386 -9.931 1.00 4.15 H new ATOM 0 HH21 ARG A 51 -0.792 22.863 -9.856 1.00 5.02 H new ATOM 0 HH22 ARG A 51 -0.183 21.372 -10.582 1.00 5.02 H new ATOM 788 N GLU A 52 -3.360 23.246 -4.270 1.00 1.26 N ATOM 789 CA GLU A 52 -4.165 24.447 -4.298 1.00 1.36 C ATOM 790 C GLU A 52 -4.942 24.460 -5.622 1.00 1.41 C ATOM 791 O GLU A 52 -4.338 24.288 -6.682 1.00 1.58 O ATOM 792 CB GLU A 52 -3.189 25.617 -4.223 1.00 1.52 C ATOM 793 CG GLU A 52 -3.909 26.941 -4.017 1.00 1.62 C ATOM 794 CD GLU A 52 -3.890 27.373 -2.554 1.00 1.90 C ATOM 795 OE1 GLU A 52 -2.799 27.586 -1.982 1.00 3.21 O ATOM 796 OE2 GLU A 52 -4.966 27.419 -1.920 1.00 2.02 O ATOM 0 H GLU A 52 -2.533 23.311 -4.864 1.00 1.26 H new ATOM 0 HA GLU A 52 -4.879 24.504 -3.477 1.00 1.36 H new ATOM 0 HB2 GLU A 52 -2.488 25.453 -3.405 1.00 1.52 H new ATOM 0 HB3 GLU A 52 -2.603 25.661 -5.141 1.00 1.52 H new ATOM 0 HG2 GLU A 52 -3.438 27.710 -4.629 1.00 1.62 H new ATOM 0 HG3 GLU A 52 -4.941 26.851 -4.356 1.00 1.62 H new ATOM 803 N VAL A 53 -6.261 24.631 -5.562 1.00 1.32 N ATOM 804 CA VAL A 53 -7.177 24.684 -6.710 1.00 1.32 C ATOM 805 C VAL A 53 -8.283 25.662 -6.323 1.00 1.27 C ATOM 806 O VAL A 53 -8.701 25.647 -5.169 1.00 1.59 O ATOM 807 CB VAL A 53 -7.803 23.298 -7.030 1.00 1.57 C ATOM 808 CG1 VAL A 53 -8.684 23.366 -8.289 1.00 1.67 C ATOM 809 CG2 VAL A 53 -6.747 22.199 -7.253 1.00 2.67 C ATOM 0 H VAL A 53 -6.747 24.742 -4.672 1.00 1.32 H new ATOM 0 HA VAL A 53 -6.634 24.993 -7.603 1.00 1.32 H new ATOM 0 HB VAL A 53 -8.399 23.041 -6.154 1.00 1.57 H new ATOM 0 HG11 VAL A 53 -9.109 22.382 -8.489 1.00 1.67 H new ATOM 0 HG12 VAL A 53 -9.489 24.084 -8.131 1.00 1.67 H new ATOM 0 HG13 VAL A 53 -8.079 23.680 -9.140 1.00 1.67 H new ATOM 0 HG21 VAL A 53 -7.245 21.255 -7.472 1.00 2.67 H new ATOM 0 HG22 VAL A 53 -6.106 22.475 -8.091 1.00 2.67 H new ATOM 0 HG23 VAL A 53 -6.141 22.089 -6.354 1.00 2.67 H new ATOM 819 N GLU A 54 -8.724 26.537 -7.235 1.00 1.31 N ATOM 820 CA GLU A 54 -9.831 27.483 -6.975 1.00 1.50 C ATOM 821 C GLU A 54 -9.454 28.542 -5.904 1.00 1.41 C ATOM 822 O GLU A 54 -10.318 29.080 -5.216 1.00 1.63 O ATOM 823 CB GLU A 54 -11.090 26.684 -6.574 1.00 1.89 C ATOM 824 CG GLU A 54 -12.437 27.337 -6.908 1.00 2.16 C ATOM 825 CD GLU A 54 -13.522 26.708 -6.035 1.00 2.58 C ATOM 826 OE1 GLU A 54 -13.490 25.478 -5.804 1.00 3.24 O ATOM 827 OE2 GLU A 54 -14.254 27.456 -5.358 1.00 3.27 O ATOM 0 H GLU A 54 -8.329 26.614 -8.172 1.00 1.31 H new ATOM 0 HA GLU A 54 -10.038 28.043 -7.887 1.00 1.50 H new ATOM 0 HB2 GLU A 54 -11.049 25.711 -7.064 1.00 1.89 H new ATOM 0 HB3 GLU A 54 -11.054 26.502 -5.500 1.00 1.89 H new ATOM 0 HG2 GLU A 54 -12.389 28.412 -6.733 1.00 2.16 H new ATOM 0 HG3 GLU A 54 -12.673 27.196 -7.963 1.00 2.16 H new ATOM 834 N GLY A 55 -8.150 28.785 -5.695 1.00 1.33 N ATOM 835 CA GLY A 55 -7.634 29.664 -4.629 1.00 1.51 C ATOM 836 C GLY A 55 -7.691 29.032 -3.234 1.00 1.49 C ATOM 837 O GLY A 55 -7.659 29.743 -2.231 1.00 1.72 O ATOM 0 H GLY A 55 -7.414 28.372 -6.268 1.00 1.33 H new ATOM 0 HA2 GLY A 55 -6.602 29.930 -4.857 1.00 1.51 H new ATOM 0 HA3 GLY A 55 -8.208 30.590 -4.623 1.00 1.51 H new ATOM 841 N LYS A 56 -7.815 27.702 -3.163 1.00 1.45 N ATOM 842 CA LYS A 56 -8.117 26.937 -1.961 1.00 1.63 C ATOM 843 C LYS A 56 -7.311 25.628 -1.929 1.00 1.53 C ATOM 844 O LYS A 56 -7.243 24.855 -2.890 1.00 1.36 O ATOM 845 CB LYS A 56 -9.637 26.665 -1.894 1.00 1.74 C ATOM 846 CG LYS A 56 -10.429 27.944 -1.565 1.00 2.20 C ATOM 847 CD LYS A 56 -11.953 27.753 -1.519 1.00 2.44 C ATOM 848 CE LYS A 56 -12.555 27.553 -2.918 1.00 2.33 C ATOM 849 NZ LYS A 56 -12.985 26.158 -3.183 1.00 3.05 N ATOM 0 H LYS A 56 -7.701 27.107 -3.984 1.00 1.45 H new ATOM 0 HA LYS A 56 -7.827 27.516 -1.084 1.00 1.63 H new ATOM 0 HB2 LYS A 56 -9.977 26.261 -2.848 1.00 1.74 H new ATOM 0 HB3 LYS A 56 -9.838 25.907 -1.137 1.00 1.74 H new ATOM 0 HG2 LYS A 56 -10.094 28.326 -0.601 1.00 2.20 H new ATOM 0 HG3 LYS A 56 -10.193 28.705 -2.309 1.00 2.20 H new ATOM 0 HD2 LYS A 56 -12.191 26.891 -0.896 1.00 2.44 H new ATOM 0 HD3 LYS A 56 -12.412 28.622 -1.048 1.00 2.44 H new ATOM 0 HE2 LYS A 56 -13.411 28.217 -3.035 1.00 2.33 H new ATOM 0 HE3 LYS A 56 -11.819 27.847 -3.667 1.00 2.33 H new ATOM 0 HZ1 LYS A 56 -12.487 25.794 -4.020 1.00 3.05 H new ATOM 0 HZ2 LYS A 56 -12.759 25.563 -2.360 1.00 3.05 H new ATOM 0 HZ3 LYS A 56 -14.011 26.137 -3.354 1.00 3.05 H new ATOM 863 N LYS A 57 -6.701 25.359 -0.783 1.00 1.67 N ATOM 864 CA LYS A 57 -6.003 24.122 -0.465 1.00 1.51 C ATOM 865 C LYS A 57 -6.983 22.956 -0.284 1.00 1.45 C ATOM 866 O LYS A 57 -7.952 23.043 0.462 1.00 1.60 O ATOM 867 CB LYS A 57 -5.112 24.353 0.765 1.00 1.65 C ATOM 868 CG LYS A 57 -3.789 25.002 0.330 1.00 3.09 C ATOM 869 CD LYS A 57 -3.097 25.868 1.391 1.00 3.54 C ATOM 870 CE LYS A 57 -3.783 27.223 1.645 1.00 3.81 C ATOM 871 NZ LYS A 57 -3.802 28.088 0.438 1.00 4.52 N ATOM 0 H LYS A 57 -6.679 26.029 -0.014 1.00 1.67 H new ATOM 0 HA LYS A 57 -5.362 23.836 -1.299 1.00 1.51 H new ATOM 0 HB2 LYS A 57 -5.624 24.994 1.482 1.00 1.65 H new ATOM 0 HB3 LYS A 57 -4.916 23.406 1.267 1.00 1.65 H new ATOM 0 HG2 LYS A 57 -3.101 24.214 0.025 1.00 3.09 H new ATOM 0 HG3 LYS A 57 -3.979 25.618 -0.549 1.00 3.09 H new ATOM 0 HD2 LYS A 57 -3.057 25.312 2.328 1.00 3.54 H new ATOM 0 HD3 LYS A 57 -2.067 26.047 1.082 1.00 3.54 H new ATOM 0 HE2 LYS A 57 -4.806 27.051 1.981 1.00 3.81 H new ATOM 0 HE3 LYS A 57 -3.266 27.742 2.452 1.00 3.81 H new ATOM 0 HZ1 LYS A 57 -3.781 29.087 0.726 1.00 4.52 H new ATOM 0 HZ2 LYS A 57 -2.971 27.880 -0.151 1.00 4.52 H new ATOM 0 HZ3 LYS A 57 -4.668 27.904 -0.108 1.00 4.52 H new ATOM 885 N VAL A 58 -6.679 21.875 -0.984 1.00 1.34 N ATOM 886 CA VAL A 58 -7.398 20.612 -1.086 1.00 1.32 C ATOM 887 C VAL A 58 -6.395 19.445 -1.050 1.00 1.23 C ATOM 888 O VAL A 58 -5.185 19.652 -1.167 1.00 1.32 O ATOM 889 CB VAL A 58 -8.215 20.576 -2.402 1.00 1.35 C ATOM 890 CG1 VAL A 58 -9.409 21.542 -2.351 1.00 2.45 C ATOM 891 CG2 VAL A 58 -7.379 20.850 -3.668 1.00 2.64 C ATOM 0 H VAL A 58 -5.834 21.858 -1.555 1.00 1.34 H new ATOM 0 HA VAL A 58 -8.085 20.517 -0.245 1.00 1.32 H new ATOM 0 HB VAL A 58 -8.577 19.551 -2.478 1.00 1.35 H new ATOM 0 HG11 VAL A 58 -9.959 21.490 -3.291 1.00 2.45 H new ATOM 0 HG12 VAL A 58 -10.068 21.263 -1.529 1.00 2.45 H new ATOM 0 HG13 VAL A 58 -9.048 22.559 -2.197 1.00 2.45 H new ATOM 0 HG21 VAL A 58 -8.024 20.807 -4.546 1.00 2.64 H new ATOM 0 HG22 VAL A 58 -6.926 21.839 -3.598 1.00 2.64 H new ATOM 0 HG23 VAL A 58 -6.595 20.098 -3.756 1.00 2.64 H new ATOM 901 N MET A 59 -6.895 18.215 -0.916 1.00 1.13 N ATOM 902 CA MET A 59 -6.120 16.979 -1.094 1.00 0.97 C ATOM 903 C MET A 59 -6.659 16.167 -2.276 1.00 0.95 C ATOM 904 O MET A 59 -7.857 16.176 -2.551 1.00 1.17 O ATOM 905 CB MET A 59 -6.113 16.135 0.188 1.00 1.01 C ATOM 906 CG MET A 59 -5.223 16.775 1.257 1.00 1.09 C ATOM 907 SD MET A 59 -5.114 15.819 2.789 1.00 2.07 S ATOM 908 CE MET A 59 -6.465 16.589 3.715 1.00 2.50 C ATOM 0 H MET A 59 -7.871 18.043 -0.675 1.00 1.13 H new ATOM 0 HA MET A 59 -5.090 17.260 -1.312 1.00 0.97 H new ATOM 0 HB2 MET A 59 -7.130 16.034 0.568 1.00 1.01 H new ATOM 0 HB3 MET A 59 -5.755 15.130 -0.035 1.00 1.01 H new ATOM 0 HG2 MET A 59 -4.220 16.906 0.850 1.00 1.09 H new ATOM 0 HG3 MET A 59 -5.606 17.769 1.487 1.00 1.09 H new ATOM 0 HE1 MET A 59 -6.547 16.121 4.696 1.00 2.50 H new ATOM 0 HE2 MET A 59 -6.263 17.653 3.836 1.00 2.50 H new ATOM 0 HE3 MET A 59 -7.400 16.457 3.171 1.00 2.50 H new ATOM 918 N GLY A 60 -5.747 15.489 -2.971 1.00 0.82 N ATOM 919 CA GLY A 60 -6.004 14.662 -4.152 1.00 0.83 C ATOM 920 C GLY A 60 -5.277 13.321 -4.078 1.00 0.73 C ATOM 921 O GLY A 60 -4.642 12.997 -3.079 1.00 0.69 O ATOM 0 H GLY A 60 -4.760 15.501 -2.714 1.00 0.82 H new ATOM 0 HA2 GLY A 60 -7.076 14.489 -4.248 1.00 0.83 H new ATOM 0 HA3 GLY A 60 -5.687 15.198 -5.046 1.00 0.83 H new ATOM 925 N MET A 61 -5.398 12.519 -5.131 1.00 0.76 N ATOM 926 CA MET A 61 -4.828 11.179 -5.247 1.00 0.73 C ATOM 927 C MET A 61 -4.534 10.895 -6.724 1.00 0.79 C ATOM 928 O MET A 61 -5.260 11.378 -7.594 1.00 0.94 O ATOM 929 CB MET A 61 -5.864 10.203 -4.665 1.00 0.81 C ATOM 930 CG MET A 61 -5.512 8.725 -4.817 1.00 0.74 C ATOM 931 SD MET A 61 -6.881 7.532 -4.669 1.00 0.73 S ATOM 932 CE MET A 61 -7.954 8.275 -3.415 1.00 0.99 C ATOM 0 H MET A 61 -5.918 12.796 -5.963 1.00 0.76 H new ATOM 0 HA MET A 61 -3.890 11.074 -4.703 1.00 0.73 H new ATOM 0 HB2 MET A 61 -5.994 10.423 -3.605 1.00 0.81 H new ATOM 0 HB3 MET A 61 -6.824 10.384 -5.148 1.00 0.81 H new ATOM 0 HG2 MET A 61 -5.045 8.586 -5.792 1.00 0.74 H new ATOM 0 HG3 MET A 61 -4.762 8.476 -4.066 1.00 0.74 H new ATOM 0 HE1 MET A 61 -8.750 7.577 -3.157 1.00 0.99 H new ATOM 0 HE2 MET A 61 -7.369 8.503 -2.524 1.00 0.99 H new ATOM 0 HE3 MET A 61 -8.390 9.194 -3.807 1.00 0.99 H new ATOM 942 N ARG A 62 -3.504 10.096 -7.019 1.00 0.70 N ATOM 943 CA ARG A 62 -3.202 9.614 -8.381 1.00 0.71 C ATOM 944 C ARG A 62 -2.391 8.305 -8.345 1.00 0.69 C ATOM 945 O ARG A 62 -1.721 8.060 -7.340 1.00 0.66 O ATOM 946 CB ARG A 62 -2.500 10.713 -9.210 1.00 0.83 C ATOM 947 CG ARG A 62 -1.116 11.106 -8.678 1.00 1.61 C ATOM 948 CD ARG A 62 -0.422 12.131 -9.578 1.00 2.06 C ATOM 949 NE ARG A 62 0.849 12.529 -8.963 1.00 3.54 N ATOM 950 CZ ARG A 62 2.070 12.503 -9.466 1.00 4.59 C ATOM 951 NH1 ARG A 62 2.305 12.409 -10.759 1.00 4.49 N ATOM 952 NH2 ARG A 62 3.085 12.564 -8.639 1.00 5.95 N ATOM 0 H ARG A 62 -2.847 9.759 -6.316 1.00 0.70 H new ATOM 0 HA ARG A 62 -4.145 9.386 -8.878 1.00 0.71 H new ATOM 0 HB2 ARG A 62 -2.398 10.368 -10.239 1.00 0.83 H new ATOM 0 HB3 ARG A 62 -3.135 11.599 -9.232 1.00 0.83 H new ATOM 0 HG2 ARG A 62 -1.218 11.517 -7.673 1.00 1.61 H new ATOM 0 HG3 ARG A 62 -0.493 10.215 -8.597 1.00 1.61 H new ATOM 0 HD2 ARG A 62 -0.245 11.705 -10.565 1.00 2.06 H new ATOM 0 HD3 ARG A 62 -1.061 13.003 -9.717 1.00 2.06 H new ATOM 0 HE ARG A 62 0.780 12.877 -8.007 1.00 3.54 H new ATOM 0 HH11 ARG A 62 1.527 12.353 -11.416 1.00 4.49 H new ATOM 0 HH12 ARG A 62 3.265 12.392 -11.103 1.00 4.49 H new ATOM 0 HH21 ARG A 62 2.921 12.630 -7.634 1.00 5.95 H new ATOM 0 HH22 ARG A 62 4.039 12.546 -9.000 1.00 5.95 H new ATOM 966 N PRO A 63 -2.431 7.455 -9.389 1.00 0.72 N ATOM 967 CA PRO A 63 -1.568 6.286 -9.463 1.00 0.71 C ATOM 968 C PRO A 63 -0.111 6.699 -9.699 1.00 0.71 C ATOM 969 O PRO A 63 0.144 7.758 -10.271 1.00 0.73 O ATOM 970 CB PRO A 63 -2.121 5.430 -10.598 1.00 0.75 C ATOM 971 CG PRO A 63 -2.736 6.470 -11.537 1.00 0.81 C ATOM 972 CD PRO A 63 -3.276 7.529 -10.574 1.00 0.80 C ATOM 0 HA PRO A 63 -1.562 5.722 -8.530 1.00 0.71 H new ATOM 0 HB2 PRO A 63 -1.337 4.854 -11.090 1.00 0.75 H new ATOM 0 HB3 PRO A 63 -2.864 4.717 -10.242 1.00 0.75 H new ATOM 0 HG2 PRO A 63 -1.995 6.886 -12.219 1.00 0.81 H new ATOM 0 HG3 PRO A 63 -3.528 6.041 -12.150 1.00 0.81 H new ATOM 0 HD2 PRO A 63 -3.236 8.522 -11.022 1.00 0.80 H new ATOM 0 HD3 PRO A 63 -4.319 7.335 -10.324 1.00 0.80 H new ATOM 980 N VAL A 64 0.825 5.854 -9.257 1.00 0.71 N ATOM 981 CA VAL A 64 2.281 6.063 -9.373 1.00 0.70 C ATOM 982 C VAL A 64 2.973 4.730 -9.716 1.00 0.70 C ATOM 983 O VAL A 64 2.427 3.679 -9.376 1.00 0.74 O ATOM 984 CB VAL A 64 2.892 6.691 -8.095 1.00 0.75 C ATOM 985 CG1 VAL A 64 2.407 8.132 -7.884 1.00 0.85 C ATOM 986 CG2 VAL A 64 2.642 5.866 -6.827 1.00 0.78 C ATOM 0 H VAL A 64 0.588 4.977 -8.793 1.00 0.71 H new ATOM 0 HA VAL A 64 2.451 6.776 -10.180 1.00 0.70 H new ATOM 0 HB VAL A 64 3.968 6.697 -8.267 1.00 0.75 H new ATOM 0 HG11 VAL A 64 2.857 8.538 -6.978 1.00 0.85 H new ATOM 0 HG12 VAL A 64 2.698 8.743 -8.739 1.00 0.85 H new ATOM 0 HG13 VAL A 64 1.322 8.140 -7.785 1.00 0.85 H new ATOM 0 HG21 VAL A 64 3.098 6.366 -5.972 1.00 0.78 H new ATOM 0 HG22 VAL A 64 1.569 5.770 -6.661 1.00 0.78 H new ATOM 0 HG23 VAL A 64 3.081 4.875 -6.945 1.00 0.78 H new ATOM 996 N PRO A 65 4.125 4.736 -10.419 1.00 0.69 N ATOM 997 CA PRO A 65 4.663 3.543 -11.073 1.00 0.73 C ATOM 998 C PRO A 65 5.416 2.617 -10.113 1.00 0.70 C ATOM 999 O PRO A 65 5.486 1.421 -10.377 1.00 0.75 O ATOM 1000 CB PRO A 65 5.571 4.082 -12.180 1.00 0.75 C ATOM 1001 CG PRO A 65 6.108 5.385 -11.592 1.00 0.70 C ATOM 1002 CD PRO A 65 4.929 5.901 -10.770 1.00 0.67 C ATOM 0 HA PRO A 65 3.863 2.915 -11.464 1.00 0.73 H new ATOM 0 HB2 PRO A 65 6.376 3.385 -12.415 1.00 0.75 H new ATOM 0 HB3 PRO A 65 5.019 4.255 -13.104 1.00 0.75 H new ATOM 0 HG2 PRO A 65 6.989 5.216 -10.973 1.00 0.70 H new ATOM 0 HG3 PRO A 65 6.397 6.091 -12.371 1.00 0.70 H new ATOM 0 HD2 PRO A 65 5.277 6.416 -9.874 1.00 0.67 H new ATOM 0 HD3 PRO A 65 4.342 6.619 -11.343 1.00 0.67 H new ATOM 1010 N PHE A 66 5.965 3.170 -9.024 1.00 0.62 N ATOM 1011 CA PHE A 66 6.734 2.456 -8.000 1.00 0.58 C ATOM 1012 C PHE A 66 7.113 3.364 -6.820 1.00 0.53 C ATOM 1013 O PHE A 66 7.080 4.591 -6.921 1.00 0.55 O ATOM 1014 CB PHE A 66 8.003 1.816 -8.598 1.00 0.60 C ATOM 1015 CG PHE A 66 8.996 2.819 -9.134 1.00 0.61 C ATOM 1016 CD1 PHE A 66 9.943 3.401 -8.276 1.00 1.76 C ATOM 1017 CD2 PHE A 66 8.914 3.224 -10.474 1.00 2.00 C ATOM 1018 CE1 PHE A 66 10.771 4.431 -8.734 1.00 1.76 C ATOM 1019 CE2 PHE A 66 9.775 4.231 -10.951 1.00 2.04 C ATOM 1020 CZ PHE A 66 10.695 4.843 -10.077 1.00 0.69 C ATOM 0 H PHE A 66 5.882 4.167 -8.825 1.00 0.62 H new ATOM 0 HA PHE A 66 6.085 1.667 -7.621 1.00 0.58 H new ATOM 0 HB2 PHE A 66 8.489 1.211 -7.833 1.00 0.60 H new ATOM 0 HB3 PHE A 66 7.713 1.140 -9.402 1.00 0.60 H new ATOM 0 HD1 PHE A 66 10.032 3.052 -7.258 1.00 1.76 H new ATOM 0 HD2 PHE A 66 8.194 2.766 -11.137 1.00 2.00 H new ATOM 0 HE1 PHE A 66 11.466 4.908 -8.059 1.00 1.76 H new ATOM 0 HE2 PHE A 66 9.730 4.534 -11.987 1.00 2.04 H new ATOM 0 HZ PHE A 66 11.342 5.629 -10.438 1.00 0.69 H new ATOM 1030 N LEU A 67 7.545 2.730 -5.725 1.00 0.50 N ATOM 1031 CA LEU A 67 8.306 3.351 -4.641 1.00 0.48 C ATOM 1032 C LEU A 67 9.759 2.871 -4.668 1.00 0.52 C ATOM 1033 O LEU A 67 10.041 1.771 -5.140 1.00 0.56 O ATOM 1034 CB LEU A 67 7.702 2.985 -3.270 1.00 0.46 C ATOM 1035 CG LEU A 67 6.201 3.262 -3.083 1.00 0.50 C ATOM 1036 CD1 LEU A 67 5.838 3.050 -1.614 1.00 0.55 C ATOM 1037 CD2 LEU A 67 5.788 4.677 -3.493 1.00 0.56 C ATOM 0 H LEU A 67 7.368 1.738 -5.566 1.00 0.50 H new ATOM 0 HA LEU A 67 8.264 4.431 -4.785 1.00 0.48 H new ATOM 0 HB2 LEU A 67 7.877 1.924 -3.093 1.00 0.46 H new ATOM 0 HB3 LEU A 67 8.248 3.531 -2.501 1.00 0.46 H new ATOM 0 HG LEU A 67 5.667 2.571 -3.735 1.00 0.50 H new ATOM 0 HD11 LEU A 67 4.775 3.244 -1.470 1.00 0.55 H new ATOM 0 HD12 LEU A 67 6.061 2.022 -1.329 1.00 0.55 H new ATOM 0 HD13 LEU A 67 6.419 3.733 -0.994 1.00 0.55 H new ATOM 0 HD21 LEU A 67 4.717 4.804 -3.335 1.00 0.56 H new ATOM 0 HD22 LEU A 67 6.332 5.404 -2.890 1.00 0.56 H new ATOM 0 HD23 LEU A 67 6.020 4.833 -4.546 1.00 0.56 H new ATOM 1049 N GLU A 68 10.655 3.691 -4.128 1.00 0.56 N ATOM 1050 CA GLU A 68 12.066 3.372 -3.911 1.00 0.60 C ATOM 1051 C GLU A 68 12.326 3.235 -2.406 1.00 0.63 C ATOM 1052 O GLU A 68 11.708 3.954 -1.619 1.00 0.74 O ATOM 1053 CB GLU A 68 12.917 4.519 -4.483 1.00 0.78 C ATOM 1054 CG GLU A 68 14.437 4.302 -4.401 1.00 0.81 C ATOM 1055 CD GLU A 68 14.955 3.359 -5.489 1.00 0.78 C ATOM 1056 OE1 GLU A 68 14.240 2.395 -5.842 1.00 1.86 O ATOM 1057 OE2 GLU A 68 16.049 3.614 -6.035 1.00 1.59 O ATOM 0 H GLU A 68 10.411 4.631 -3.817 1.00 0.56 H new ATOM 0 HA GLU A 68 12.325 2.436 -4.405 1.00 0.60 H new ATOM 0 HB2 GLU A 68 12.642 4.670 -5.527 1.00 0.78 H new ATOM 0 HB3 GLU A 68 12.667 5.437 -3.952 1.00 0.78 H new ATOM 0 HG2 GLU A 68 14.943 5.264 -4.487 1.00 0.81 H new ATOM 0 HG3 GLU A 68 14.690 3.895 -3.422 1.00 0.81 H new ATOM 1064 N VAL A 69 13.262 2.366 -2.010 1.00 0.65 N ATOM 1065 CA VAL A 69 13.765 2.295 -0.628 1.00 0.71 C ATOM 1066 C VAL A 69 15.267 1.958 -0.574 1.00 0.73 C ATOM 1067 O VAL A 69 15.693 1.022 -1.247 1.00 0.78 O ATOM 1068 CB VAL A 69 12.988 1.249 0.217 1.00 0.78 C ATOM 1069 CG1 VAL A 69 13.295 1.430 1.714 1.00 0.82 C ATOM 1070 CG2 VAL A 69 11.459 1.270 0.030 1.00 1.02 C ATOM 0 H VAL A 69 13.695 1.689 -2.638 1.00 0.65 H new ATOM 0 HA VAL A 69 13.608 3.287 -0.205 1.00 0.71 H new ATOM 0 HB VAL A 69 13.339 0.285 -0.151 1.00 0.78 H new ATOM 0 HG11 VAL A 69 12.742 0.689 2.291 1.00 0.82 H new ATOM 0 HG12 VAL A 69 14.364 1.299 1.885 1.00 0.82 H new ATOM 0 HG13 VAL A 69 12.997 2.430 2.028 1.00 0.82 H new ATOM 0 HG21 VAL A 69 11.005 0.505 0.660 1.00 1.02 H new ATOM 0 HG22 VAL A 69 11.071 2.249 0.311 1.00 1.02 H new ATOM 0 HG23 VAL A 69 11.217 1.070 -1.014 1.00 1.02 H new ATOM 1080 N PRO A 70 16.087 2.666 0.231 1.00 0.77 N ATOM 1081 CA PRO A 70 17.510 2.362 0.387 1.00 0.83 C ATOM 1082 C PRO A 70 17.762 1.035 1.136 1.00 0.98 C ATOM 1083 O PRO A 70 16.841 0.482 1.744 1.00 1.18 O ATOM 1084 CB PRO A 70 18.094 3.564 1.143 1.00 0.94 C ATOM 1085 CG PRO A 70 16.916 4.080 1.959 1.00 0.98 C ATOM 1086 CD PRO A 70 15.737 3.841 1.022 1.00 0.84 C ATOM 0 HA PRO A 70 17.987 2.216 -0.582 1.00 0.83 H new ATOM 0 HB2 PRO A 70 18.926 3.270 1.782 1.00 0.94 H new ATOM 0 HB3 PRO A 70 18.471 4.324 0.458 1.00 0.94 H new ATOM 0 HG2 PRO A 70 16.804 3.538 2.898 1.00 0.98 H new ATOM 0 HG3 PRO A 70 17.027 5.135 2.211 1.00 0.98 H new ATOM 0 HD2 PRO A 70 14.819 3.674 1.585 1.00 0.84 H new ATOM 0 HD3 PRO A 70 15.565 4.706 0.382 1.00 0.84 H new ATOM 1094 N PRO A 71 19.011 0.525 1.131 1.00 0.96 N ATOM 1095 CA PRO A 71 19.452 -0.561 2.006 1.00 0.97 C ATOM 1096 C PRO A 71 19.361 -0.175 3.481 1.00 1.00 C ATOM 1097 O PRO A 71 19.570 0.986 3.829 1.00 1.06 O ATOM 1098 CB PRO A 71 20.884 -0.873 1.588 1.00 0.97 C ATOM 1099 CG PRO A 71 21.383 0.397 0.912 1.00 0.95 C ATOM 1100 CD PRO A 71 20.118 0.994 0.308 1.00 0.91 C ATOM 0 HA PRO A 71 18.811 -1.437 1.903 1.00 0.97 H new ATOM 0 HB2 PRO A 71 21.500 -1.129 2.450 1.00 0.97 H new ATOM 0 HB3 PRO A 71 20.920 -1.723 0.907 1.00 0.97 H new ATOM 0 HG2 PRO A 71 21.847 1.077 1.626 1.00 0.95 H new ATOM 0 HG3 PRO A 71 22.129 0.179 0.148 1.00 0.95 H new ATOM 0 HD2 PRO A 71 20.165 2.083 0.304 1.00 0.91 H new ATOM 0 HD3 PRO A 71 19.994 0.677 -0.727 1.00 0.91 H new ATOM 1108 N LYS A 72 19.021 -1.144 4.348 1.00 1.01 N ATOM 1109 CA LYS A 72 18.880 -0.987 5.811 1.00 1.07 C ATOM 1110 C LYS A 72 17.704 -0.079 6.241 1.00 1.14 C ATOM 1111 O LYS A 72 17.389 0.016 7.425 1.00 1.30 O ATOM 1112 CB LYS A 72 20.215 -0.548 6.451 1.00 1.15 C ATOM 1113 CG LYS A 72 21.462 -1.280 5.926 1.00 1.30 C ATOM 1114 CD LYS A 72 21.424 -2.811 6.068 1.00 1.23 C ATOM 1115 CE LYS A 72 22.613 -3.404 5.305 1.00 1.51 C ATOM 1116 NZ LYS A 72 22.644 -4.885 5.350 1.00 1.86 N ATOM 0 H LYS A 72 18.829 -2.097 4.039 1.00 1.01 H new ATOM 0 HA LYS A 72 18.622 -1.974 6.195 1.00 1.07 H new ATOM 0 HB2 LYS A 72 20.345 0.522 6.287 1.00 1.15 H new ATOM 0 HB3 LYS A 72 20.151 -0.699 7.529 1.00 1.15 H new ATOM 0 HG2 LYS A 72 21.595 -1.031 4.873 1.00 1.30 H new ATOM 0 HG3 LYS A 72 22.337 -0.902 6.456 1.00 1.30 H new ATOM 0 HD2 LYS A 72 21.470 -3.094 7.120 1.00 1.23 H new ATOM 0 HD3 LYS A 72 20.487 -3.204 5.673 1.00 1.23 H new ATOM 0 HE2 LYS A 72 22.571 -3.078 4.266 1.00 1.51 H new ATOM 0 HE3 LYS A 72 23.540 -3.013 5.725 1.00 1.51 H new ATOM 0 HZ1 LYS A 72 22.778 -5.259 4.389 1.00 1.86 H new ATOM 0 HZ2 LYS A 72 23.429 -5.198 5.956 1.00 1.86 H new ATOM 0 HZ3 LYS A 72 21.746 -5.239 5.737 1.00 1.86 H new ATOM 1130 N GLY A 73 17.041 0.578 5.284 1.00 1.09 N ATOM 1131 CA GLY A 73 15.906 1.481 5.500 1.00 1.16 C ATOM 1132 C GLY A 73 14.599 0.725 5.725 1.00 1.09 C ATOM 1133 O GLY A 73 14.490 -0.465 5.428 1.00 1.07 O ATOM 0 H GLY A 73 17.290 0.492 4.299 1.00 1.09 H new ATOM 0 HA2 GLY A 73 16.109 2.116 6.362 1.00 1.16 H new ATOM 0 HA3 GLY A 73 15.799 2.139 4.638 1.00 1.16 H new ATOM 1137 N ARG A 74 13.577 1.434 6.217 1.00 1.23 N ATOM 1138 CA ARG A 74 12.227 0.893 6.337 1.00 1.25 C ATOM 1139 C ARG A 74 11.493 1.010 5.003 1.00 2.12 C ATOM 1140 O ARG A 74 11.537 2.032 4.327 1.00 2.76 O ATOM 1141 CB ARG A 74 11.416 1.518 7.479 1.00 1.38 C ATOM 1142 CG ARG A 74 11.854 0.977 8.849 1.00 1.60 C ATOM 1143 CD ARG A 74 10.728 0.925 9.870 1.00 1.75 C ATOM 1144 NE ARG A 74 11.015 -0.058 10.938 1.00 2.66 N ATOM 1145 CZ ARG A 74 10.966 -1.383 10.808 1.00 3.89 C ATOM 1146 NH1 ARG A 74 10.409 -1.965 9.769 1.00 4.66 N ATOM 1147 NH2 ARG A 74 11.518 -2.164 11.707 1.00 4.98 N ATOM 0 H ARG A 74 13.667 2.397 6.541 1.00 1.23 H new ATOM 0 HA ARG A 74 12.331 -0.160 6.597 1.00 1.25 H new ATOM 0 HB2 ARG A 74 11.536 2.601 7.460 1.00 1.38 H new ATOM 0 HB3 ARG A 74 10.356 1.312 7.328 1.00 1.38 H new ATOM 0 HG2 ARG A 74 12.264 -0.025 8.721 1.00 1.60 H new ATOM 0 HG3 ARG A 74 12.657 1.603 9.238 1.00 1.60 H new ATOM 0 HD2 ARG A 74 10.587 1.912 10.310 1.00 1.75 H new ATOM 0 HD3 ARG A 74 9.795 0.662 9.372 1.00 1.75 H new ATOM 0 HE ARG A 74 11.273 0.311 11.853 1.00 2.66 H new ATOM 0 HH11 ARG A 74 9.996 -1.399 9.028 1.00 4.66 H new ATOM 0 HH12 ARG A 74 10.390 -2.983 9.704 1.00 4.66 H new ATOM 0 HH21 ARG A 74 11.990 -1.758 12.515 1.00 4.98 H new ATOM 0 HH22 ARG A 74 11.475 -3.177 11.598 1.00 4.98 H new ATOM 1161 N VAL A 75 10.816 -0.070 4.652 1.00 2.59 N ATOM 1162 CA VAL A 75 10.081 -0.302 3.410 1.00 3.76 C ATOM 1163 C VAL A 75 8.620 -0.023 3.734 1.00 2.94 C ATOM 1164 O VAL A 75 7.862 -0.911 4.118 1.00 2.72 O ATOM 1165 CB VAL A 75 10.347 -1.741 2.909 1.00 5.19 C ATOM 1166 CG1 VAL A 75 9.506 -2.136 1.683 1.00 6.51 C ATOM 1167 CG2 VAL A 75 11.836 -1.910 2.567 1.00 5.90 C ATOM 0 H VAL A 75 10.759 -0.875 5.276 1.00 2.59 H new ATOM 0 HA VAL A 75 10.396 0.348 2.594 1.00 3.76 H new ATOM 0 HB VAL A 75 10.054 -2.402 3.725 1.00 5.19 H new ATOM 0 HG11 VAL A 75 9.748 -3.158 1.390 1.00 6.51 H new ATOM 0 HG12 VAL A 75 8.447 -2.071 1.932 1.00 6.51 H new ATOM 0 HG13 VAL A 75 9.727 -1.460 0.857 1.00 6.51 H new ATOM 0 HG21 VAL A 75 12.015 -2.926 2.215 1.00 5.90 H new ATOM 0 HG22 VAL A 75 12.113 -1.201 1.786 1.00 5.90 H new ATOM 0 HG23 VAL A 75 12.437 -1.723 3.457 1.00 5.90 H new ATOM 1177 N GLU A 76 8.271 1.261 3.715 1.00 2.76 N ATOM 1178 CA GLU A 76 7.060 1.745 4.361 1.00 1.95 C ATOM 1179 C GLU A 76 6.316 2.780 3.518 1.00 1.73 C ATOM 1180 O GLU A 76 6.852 3.802 3.078 1.00 2.16 O ATOM 1181 CB GLU A 76 7.363 2.251 5.781 1.00 2.42 C ATOM 1182 CG GLU A 76 8.550 3.211 5.896 1.00 3.11 C ATOM 1183 CD GLU A 76 8.534 3.914 7.247 1.00 3.02 C ATOM 1184 OE1 GLU A 76 9.011 3.309 8.230 1.00 3.90 O ATOM 1185 OE2 GLU A 76 7.988 5.043 7.281 1.00 3.01 O ATOM 0 H GLU A 76 8.817 1.989 3.254 1.00 2.76 H new ATOM 0 HA GLU A 76 6.379 0.899 4.451 1.00 1.95 H new ATOM 0 HB2 GLU A 76 6.475 2.750 6.168 1.00 2.42 H new ATOM 0 HB3 GLU A 76 7.550 1.390 6.423 1.00 2.42 H new ATOM 0 HG2 GLU A 76 9.484 2.661 5.776 1.00 3.11 H new ATOM 0 HG3 GLU A 76 8.509 3.948 5.094 1.00 3.11 H new ATOM 1192 N LEU A 77 5.022 2.507 3.364 1.00 1.16 N ATOM 1193 CA LEU A 77 4.030 3.431 2.841 1.00 1.12 C ATOM 1194 C LEU A 77 3.768 4.533 3.877 1.00 1.88 C ATOM 1195 O LEU A 77 4.212 4.470 5.026 1.00 3.47 O ATOM 1196 CB LEU A 77 2.775 2.614 2.472 1.00 0.93 C ATOM 1197 CG LEU A 77 2.754 2.100 1.014 1.00 0.82 C ATOM 1198 CD1 LEU A 77 3.992 1.295 0.595 1.00 0.87 C ATOM 1199 CD2 LEU A 77 1.520 1.215 0.814 1.00 1.50 C ATOM 0 H LEU A 77 4.625 1.600 3.611 1.00 1.16 H new ATOM 0 HA LEU A 77 4.372 3.939 1.939 1.00 1.12 H new ATOM 0 HB2 LEU A 77 2.700 1.761 3.146 1.00 0.93 H new ATOM 0 HB3 LEU A 77 1.892 3.231 2.640 1.00 0.93 H new ATOM 0 HG LEU A 77 2.737 2.993 0.389 1.00 0.82 H new ATOM 0 HD11 LEU A 77 3.886 0.978 -0.442 1.00 0.87 H new ATOM 0 HD12 LEU A 77 4.881 1.917 0.695 1.00 0.87 H new ATOM 0 HD13 LEU A 77 4.089 0.418 1.235 1.00 0.87 H new ATOM 0 HD21 LEU A 77 1.498 0.848 -0.212 1.00 1.50 H new ATOM 0 HD22 LEU A 77 1.563 0.370 1.501 1.00 1.50 H new ATOM 0 HD23 LEU A 77 0.619 1.797 1.011 1.00 1.50 H new ATOM 1211 N LYS A 78 3.085 5.602 3.482 1.00 1.41 N ATOM 1212 CA LYS A 78 2.766 6.706 4.392 1.00 1.83 C ATOM 1213 C LYS A 78 1.314 6.526 4.868 1.00 1.52 C ATOM 1214 O LYS A 78 0.456 6.347 4.009 1.00 1.18 O ATOM 1215 CB LYS A 78 2.983 8.040 3.656 1.00 2.27 C ATOM 1216 CG LYS A 78 4.419 8.605 3.610 1.00 2.28 C ATOM 1217 CD LYS A 78 5.611 7.620 3.551 1.00 2.79 C ATOM 1218 CE LYS A 78 6.158 7.265 4.951 1.00 2.73 C ATOM 1219 NZ LYS A 78 6.663 5.873 5.062 1.00 3.88 N ATOM 0 H LYS A 78 2.738 5.731 2.532 1.00 1.41 H new ATOM 0 HA LYS A 78 3.415 6.710 5.268 1.00 1.83 H new ATOM 0 HB2 LYS A 78 2.637 7.918 2.630 1.00 2.27 H new ATOM 0 HB3 LYS A 78 2.342 8.789 4.121 1.00 2.27 H new ATOM 0 HG2 LYS A 78 4.488 9.258 2.740 1.00 2.28 H new ATOM 0 HG3 LYS A 78 4.554 9.233 4.491 1.00 2.28 H new ATOM 0 HD2 LYS A 78 5.298 6.707 3.045 1.00 2.79 H new ATOM 0 HD3 LYS A 78 6.410 8.058 2.953 1.00 2.79 H new ATOM 0 HE2 LYS A 78 6.964 7.955 5.202 1.00 2.73 H new ATOM 0 HE3 LYS A 78 5.369 7.415 5.688 1.00 2.73 H new ATOM 0 HZ1 LYS A 78 7.369 5.819 5.824 1.00 3.88 H new ATOM 0 HZ2 LYS A 78 5.872 5.233 5.277 1.00 3.88 H new ATOM 0 HZ3 LYS A 78 7.102 5.590 4.163 1.00 3.88 H new ATOM 1233 N PRO A 79 1.000 6.647 6.171 1.00 2.27 N ATOM 1234 CA PRO A 79 -0.324 6.318 6.708 1.00 2.76 C ATOM 1235 C PRO A 79 -1.471 7.180 6.152 1.00 2.30 C ATOM 1236 O PRO A 79 -2.618 6.758 6.259 1.00 3.28 O ATOM 1237 CB PRO A 79 -0.184 6.434 8.231 1.00 3.67 C ATOM 1238 CG PRO A 79 0.989 7.394 8.422 1.00 3.53 C ATOM 1239 CD PRO A 79 1.897 7.042 7.248 1.00 3.15 C ATOM 0 HA PRO A 79 -0.614 5.314 6.398 1.00 2.76 H new ATOM 0 HB2 PRO A 79 -1.095 6.821 8.687 1.00 3.67 H new ATOM 0 HB3 PRO A 79 0.015 5.465 8.689 1.00 3.67 H new ATOM 0 HG2 PRO A 79 0.670 8.436 8.390 1.00 3.53 H new ATOM 0 HG3 PRO A 79 1.486 7.242 9.380 1.00 3.53 H new ATOM 0 HD2 PRO A 79 2.510 7.895 6.956 1.00 3.15 H new ATOM 0 HD3 PRO A 79 2.579 6.233 7.508 1.00 3.15 H new ATOM 1247 N GLY A 80 -1.186 8.345 5.548 1.00 1.59 N ATOM 1248 CA GLY A 80 -2.131 9.104 4.703 1.00 1.69 C ATOM 1249 C GLY A 80 -1.706 9.277 3.237 1.00 1.71 C ATOM 1250 O GLY A 80 -2.568 9.521 2.399 1.00 3.08 O ATOM 0 H GLY A 80 -0.276 8.797 5.633 1.00 1.59 H new ATOM 0 HA2 GLY A 80 -3.098 8.602 4.727 1.00 1.69 H new ATOM 0 HA3 GLY A 80 -2.273 10.091 5.142 1.00 1.69 H new ATOM 1254 N GLY A 81 -0.407 9.145 2.923 1.00 1.00 N ATOM 1255 CA GLY A 81 0.174 9.349 1.585 1.00 0.84 C ATOM 1256 C GLY A 81 0.051 8.102 0.714 1.00 0.97 C ATOM 1257 O GLY A 81 -1.046 7.715 0.323 1.00 1.94 O ATOM 0 H GLY A 81 0.293 8.884 3.618 1.00 1.00 H new ATOM 0 HA2 GLY A 81 -0.327 10.184 1.096 1.00 0.84 H new ATOM 0 HA3 GLY A 81 1.225 9.621 1.683 1.00 0.84 H new ATOM 1261 N TYR A 82 1.176 7.447 0.428 1.00 0.53 N ATOM 1262 CA TYR A 82 1.203 6.350 -0.541 1.00 0.50 C ATOM 1263 C TYR A 82 0.452 5.125 -0.026 1.00 0.50 C ATOM 1264 O TYR A 82 0.549 4.753 1.141 1.00 0.57 O ATOM 1265 CB TYR A 82 2.644 5.926 -0.830 1.00 0.56 C ATOM 1266 CG TYR A 82 3.442 6.982 -1.549 1.00 0.56 C ATOM 1267 CD1 TYR A 82 3.276 7.125 -2.935 1.00 1.72 C ATOM 1268 CD2 TYR A 82 4.318 7.831 -0.846 1.00 1.77 C ATOM 1269 CE1 TYR A 82 3.983 8.117 -3.628 1.00 1.71 C ATOM 1270 CE2 TYR A 82 5.024 8.834 -1.538 1.00 1.82 C ATOM 1271 CZ TYR A 82 4.849 8.987 -2.932 1.00 0.68 C ATOM 1272 OH TYR A 82 5.497 9.978 -3.598 1.00 0.81 O ATOM 0 H TYR A 82 2.080 7.656 0.852 1.00 0.53 H new ATOM 0 HA TYR A 82 0.721 6.719 -1.446 1.00 0.50 H new ATOM 0 HB2 TYR A 82 3.139 5.683 0.110 1.00 0.56 H new ATOM 0 HB3 TYR A 82 2.634 5.016 -1.430 1.00 0.56 H new ATOM 0 HD1 TYR A 82 2.603 6.470 -3.468 1.00 1.72 H new ATOM 0 HD2 TYR A 82 4.448 7.714 0.220 1.00 1.77 H new ATOM 0 HE1 TYR A 82 3.865 8.216 -4.697 1.00 1.71 H new ATOM 0 HE2 TYR A 82 5.699 9.486 -1.004 1.00 1.82 H new ATOM 0 HH TYR A 82 6.052 10.486 -2.970 1.00 0.81 H new ATOM 1282 N HIS A 83 -0.288 4.507 -0.933 1.00 0.52 N ATOM 1283 CA HIS A 83 -1.181 3.388 -0.649 1.00 0.56 C ATOM 1284 C HIS A 83 -1.480 2.600 -1.925 1.00 0.64 C ATOM 1285 O HIS A 83 -1.661 3.183 -2.994 1.00 0.82 O ATOM 1286 CB HIS A 83 -2.457 3.883 0.046 1.00 0.60 C ATOM 1287 CG HIS A 83 -3.290 4.814 -0.794 1.00 0.62 C ATOM 1288 ND1 HIS A 83 -3.050 6.152 -1.031 1.00 0.60 N ATOM 1289 CD2 HIS A 83 -4.327 4.439 -1.600 1.00 0.70 C ATOM 1290 CE1 HIS A 83 -3.890 6.559 -1.993 1.00 0.65 C ATOM 1291 NE2 HIS A 83 -4.711 5.555 -2.344 1.00 0.71 N ATOM 0 H HIS A 83 -0.286 4.776 -1.917 1.00 0.52 H new ATOM 0 HA HIS A 83 -0.686 2.703 0.039 1.00 0.56 H new ATOM 0 HB2 HIS A 83 -3.064 3.022 0.326 1.00 0.60 H new ATOM 0 HB3 HIS A 83 -2.181 4.392 0.970 1.00 0.60 H new ATOM 0 HD1 HIS A 83 -2.356 6.730 -0.557 1.00 0.60 H new ATOM 0 HD2 HIS A 83 -4.770 3.455 -1.652 1.00 0.70 H new ATOM 0 HE1 HIS A 83 -3.905 7.549 -2.423 1.00 0.65 H new ATOM 1299 N PHE A 84 -1.604 1.281 -1.811 1.00 0.56 N ATOM 1300 CA PHE A 84 -2.174 0.479 -2.891 1.00 0.60 C ATOM 1301 C PHE A 84 -3.700 0.616 -2.867 1.00 0.56 C ATOM 1302 O PHE A 84 -4.277 0.851 -1.801 1.00 0.65 O ATOM 1303 CB PHE A 84 -1.777 -0.993 -2.723 1.00 0.64 C ATOM 1304 CG PHE A 84 -0.301 -1.263 -2.925 1.00 0.68 C ATOM 1305 CD1 PHE A 84 0.193 -1.503 -4.220 1.00 1.69 C ATOM 1306 CD2 PHE A 84 0.578 -1.276 -1.825 1.00 1.45 C ATOM 1307 CE1 PHE A 84 1.559 -1.767 -4.411 1.00 1.72 C ATOM 1308 CE2 PHE A 84 1.945 -1.533 -2.019 1.00 1.48 C ATOM 1309 CZ PHE A 84 2.435 -1.784 -3.312 1.00 0.80 C ATOM 0 H PHE A 84 -1.320 0.747 -0.989 1.00 0.56 H new ATOM 0 HA PHE A 84 -1.790 0.834 -3.847 1.00 0.60 H new ATOM 0 HB2 PHE A 84 -2.062 -1.323 -1.724 1.00 0.64 H new ATOM 0 HB3 PHE A 84 -2.346 -1.595 -3.432 1.00 0.64 H new ATOM 0 HD1 PHE A 84 -0.477 -1.484 -5.066 1.00 1.69 H new ATOM 0 HD2 PHE A 84 0.200 -1.088 -0.831 1.00 1.45 H new ATOM 0 HE1 PHE A 84 1.937 -1.957 -5.405 1.00 1.72 H new ATOM 0 HE2 PHE A 84 2.619 -1.538 -1.175 1.00 1.48 H new ATOM 0 HZ PHE A 84 3.485 -1.990 -3.461 1.00 0.80 H new ATOM 1319 N MET A 85 -4.369 0.390 -3.999 1.00 0.53 N ATOM 1320 CA MET A 85 -5.801 0.058 -4.027 1.00 0.57 C ATOM 1321 C MET A 85 -6.041 -1.324 -4.620 1.00 0.51 C ATOM 1322 O MET A 85 -5.492 -1.663 -5.663 1.00 0.73 O ATOM 1323 CB MET A 85 -6.665 1.148 -4.658 1.00 1.12 C ATOM 1324 CG MET A 85 -6.638 2.327 -3.678 1.00 1.73 C ATOM 1325 SD MET A 85 -7.725 3.732 -4.005 1.00 0.98 S ATOM 1326 CE MET A 85 -8.957 3.492 -2.681 1.00 0.99 C ATOM 0 H MET A 85 -3.938 0.431 -4.922 1.00 0.53 H new ATOM 0 HA MET A 85 -6.133 0.016 -2.990 1.00 0.57 H new ATOM 0 HB2 MET A 85 -6.274 1.441 -5.632 1.00 1.12 H new ATOM 0 HB3 MET A 85 -7.684 0.795 -4.817 1.00 1.12 H new ATOM 0 HG2 MET A 85 -6.880 1.942 -2.687 1.00 1.73 H new ATOM 0 HG3 MET A 85 -5.615 2.700 -3.634 1.00 1.73 H new ATOM 0 HE1 MET A 85 -9.919 3.892 -3.002 1.00 0.99 H new ATOM 0 HE2 MET A 85 -9.059 2.428 -2.468 1.00 0.99 H new ATOM 0 HE3 MET A 85 -8.630 4.013 -1.781 1.00 0.99 H new ATOM 1336 N LEU A 86 -6.822 -2.111 -3.879 1.00 0.45 N ATOM 1337 CA LEU A 86 -7.104 -3.526 -4.116 1.00 0.44 C ATOM 1338 C LEU A 86 -8.511 -3.642 -4.700 1.00 0.51 C ATOM 1339 O LEU A 86 -9.428 -2.982 -4.204 1.00 0.57 O ATOM 1340 CB LEU A 86 -7.044 -4.311 -2.788 1.00 0.49 C ATOM 1341 CG LEU A 86 -5.644 -4.581 -2.197 1.00 0.46 C ATOM 1342 CD1 LEU A 86 -4.923 -3.318 -1.696 1.00 0.47 C ATOM 1343 CD2 LEU A 86 -5.789 -5.550 -1.012 1.00 0.71 C ATOM 0 H LEU A 86 -7.301 -1.758 -3.051 1.00 0.45 H new ATOM 0 HA LEU A 86 -6.364 -3.937 -4.803 1.00 0.44 H new ATOM 0 HB2 LEU A 86 -7.626 -3.765 -2.045 1.00 0.49 H new ATOM 0 HB3 LEU A 86 -7.539 -5.270 -2.939 1.00 0.49 H new ATOM 0 HG LEU A 86 -5.041 -4.995 -3.005 1.00 0.46 H new ATOM 0 HD11 LEU A 86 -3.947 -3.591 -1.296 1.00 0.47 H new ATOM 0 HD12 LEU A 86 -4.794 -2.620 -2.524 1.00 0.47 H new ATOM 0 HD13 LEU A 86 -5.517 -2.846 -0.913 1.00 0.47 H new ATOM 0 HD21 LEU A 86 -4.807 -5.750 -0.584 1.00 0.71 H new ATOM 0 HD22 LEU A 86 -6.432 -5.103 -0.253 1.00 0.71 H new ATOM 0 HD23 LEU A 86 -6.231 -6.484 -1.358 1.00 0.71 H new ATOM 1355 N LEU A 87 -8.686 -4.479 -5.724 1.00 0.57 N ATOM 1356 CA LEU A 87 -9.953 -4.663 -6.433 1.00 0.65 C ATOM 1357 C LEU A 87 -10.373 -6.138 -6.431 1.00 0.77 C ATOM 1358 O LEU A 87 -9.533 -7.033 -6.364 1.00 1.05 O ATOM 1359 CB LEU A 87 -9.826 -4.141 -7.881 1.00 0.88 C ATOM 1360 CG LEU A 87 -9.649 -2.610 -8.018 1.00 0.94 C ATOM 1361 CD1 LEU A 87 -8.186 -2.142 -7.930 1.00 1.67 C ATOM 1362 CD2 LEU A 87 -10.217 -2.153 -9.370 1.00 1.63 C ATOM 0 H LEU A 87 -7.933 -5.061 -6.092 1.00 0.57 H new ATOM 0 HA LEU A 87 -10.725 -4.093 -5.916 1.00 0.65 H new ATOM 0 HB2 LEU A 87 -8.976 -4.632 -8.354 1.00 0.88 H new ATOM 0 HB3 LEU A 87 -10.715 -4.439 -8.437 1.00 0.88 H new ATOM 0 HG LEU A 87 -10.183 -2.166 -7.178 1.00 0.94 H new ATOM 0 HD11 LEU A 87 -8.144 -1.058 -8.035 1.00 1.67 H new ATOM 0 HD12 LEU A 87 -7.769 -2.430 -6.965 1.00 1.67 H new ATOM 0 HD13 LEU A 87 -7.607 -2.606 -8.728 1.00 1.67 H new ATOM 0 HD21 LEU A 87 -10.094 -1.075 -9.470 1.00 1.63 H new ATOM 0 HD22 LEU A 87 -9.684 -2.656 -10.177 1.00 1.63 H new ATOM 0 HD23 LEU A 87 -11.276 -2.404 -9.423 1.00 1.63 H new ATOM 1374 N GLY A 88 -11.680 -6.400 -6.507 1.00 0.69 N ATOM 1375 CA GLY A 88 -12.268 -7.742 -6.610 1.00 0.82 C ATOM 1376 C GLY A 88 -12.408 -8.456 -5.267 1.00 1.14 C ATOM 1377 O GLY A 88 -13.394 -9.166 -5.084 1.00 2.57 O ATOM 0 H GLY A 88 -12.383 -5.661 -6.498 1.00 0.69 H new ATOM 0 HA2 GLY A 88 -13.251 -7.664 -7.074 1.00 0.82 H new ATOM 0 HA3 GLY A 88 -11.651 -8.350 -7.272 1.00 0.82 H new ATOM 1381 N LEU A 89 -11.447 -8.265 -4.348 1.00 0.74 N ATOM 1382 CA LEU A 89 -11.473 -8.596 -2.903 1.00 0.77 C ATOM 1383 C LEU A 89 -11.466 -10.089 -2.531 1.00 1.35 C ATOM 1384 O LEU A 89 -10.963 -10.492 -1.491 1.00 3.53 O ATOM 1385 CB LEU A 89 -12.664 -7.854 -2.243 1.00 1.02 C ATOM 1386 CG LEU A 89 -12.276 -6.891 -1.108 1.00 1.32 C ATOM 1387 CD1 LEU A 89 -11.624 -7.677 0.036 1.00 3.44 C ATOM 1388 CD2 LEU A 89 -11.351 -5.755 -1.571 1.00 1.92 C ATOM 0 H LEU A 89 -10.558 -7.841 -4.612 1.00 0.74 H new ATOM 0 HA LEU A 89 -10.517 -8.252 -2.509 1.00 0.77 H new ATOM 0 HB2 LEU A 89 -13.194 -7.292 -3.012 1.00 1.02 H new ATOM 0 HB3 LEU A 89 -13.362 -8.594 -1.850 1.00 1.02 H new ATOM 0 HG LEU A 89 -13.194 -6.418 -0.761 1.00 1.32 H new ATOM 0 HD11 LEU A 89 -11.350 -6.992 0.838 1.00 3.44 H new ATOM 0 HD12 LEU A 89 -12.328 -8.418 0.416 1.00 3.44 H new ATOM 0 HD13 LEU A 89 -10.730 -8.181 -0.332 1.00 3.44 H new ATOM 0 HD21 LEU A 89 -11.114 -5.111 -0.724 1.00 1.92 H new ATOM 0 HD22 LEU A 89 -10.431 -6.177 -1.975 1.00 1.92 H new ATOM 0 HD23 LEU A 89 -11.851 -5.170 -2.343 1.00 1.92 H new ATOM 1400 N LYS A 90 -12.073 -10.913 -3.366 1.00 0.98 N ATOM 1401 CA LYS A 90 -12.213 -12.385 -3.305 1.00 0.95 C ATOM 1402 C LYS A 90 -13.070 -12.923 -2.142 1.00 1.20 C ATOM 1403 O LYS A 90 -13.592 -14.035 -2.227 1.00 1.41 O ATOM 1404 CB LYS A 90 -10.841 -13.077 -3.285 1.00 0.75 C ATOM 1405 CG LYS A 90 -9.900 -12.697 -4.439 1.00 0.85 C ATOM 1406 CD LYS A 90 -10.378 -13.224 -5.797 1.00 1.24 C ATOM 1407 CE LYS A 90 -9.303 -13.008 -6.867 1.00 1.33 C ATOM 1408 NZ LYS A 90 -9.712 -13.555 -8.179 1.00 1.98 N ATOM 0 H LYS A 90 -12.534 -10.543 -4.197 1.00 0.98 H new ATOM 0 HA LYS A 90 -12.755 -12.631 -4.218 1.00 0.95 H new ATOM 0 HB2 LYS A 90 -10.347 -12.842 -2.342 1.00 0.75 H new ATOM 0 HB3 LYS A 90 -10.996 -14.156 -3.304 1.00 0.75 H new ATOM 0 HG2 LYS A 90 -9.812 -11.612 -4.487 1.00 0.85 H new ATOM 0 HG3 LYS A 90 -8.904 -13.089 -4.233 1.00 0.85 H new ATOM 0 HD2 LYS A 90 -10.613 -14.285 -5.719 1.00 1.24 H new ATOM 0 HD3 LYS A 90 -11.296 -12.714 -6.088 1.00 1.24 H new ATOM 0 HE2 LYS A 90 -9.099 -11.942 -6.966 1.00 1.33 H new ATOM 0 HE3 LYS A 90 -8.374 -13.482 -6.550 1.00 1.33 H new ATOM 0 HZ1 LYS A 90 -8.980 -13.344 -8.887 1.00 1.98 H new ATOM 0 HZ2 LYS A 90 -9.833 -14.585 -8.103 1.00 1.98 H new ATOM 0 HZ3 LYS A 90 -10.611 -13.121 -8.471 1.00 1.98 H new ATOM 1422 N ARG A 91 -13.207 -12.165 -1.054 1.00 1.26 N ATOM 1423 CA ARG A 91 -13.821 -12.563 0.224 1.00 1.38 C ATOM 1424 C ARG A 91 -14.567 -11.384 0.885 1.00 1.36 C ATOM 1425 O ARG A 91 -14.093 -10.256 0.771 1.00 1.33 O ATOM 1426 CB ARG A 91 -12.722 -13.021 1.208 1.00 1.57 C ATOM 1427 CG ARG A 91 -11.918 -14.269 0.799 1.00 2.38 C ATOM 1428 CD ARG A 91 -12.746 -15.540 0.588 1.00 3.85 C ATOM 1429 NE ARG A 91 -13.507 -15.928 1.790 1.00 4.01 N ATOM 1430 CZ ARG A 91 -14.562 -16.733 1.811 1.00 5.39 C ATOM 1431 NH1 ARG A 91 -15.041 -17.277 0.711 1.00 6.73 N ATOM 1432 NH2 ARG A 91 -15.156 -16.998 2.954 1.00 5.88 N ATOM 0 H ARG A 91 -12.875 -11.201 -1.034 1.00 1.26 H new ATOM 0 HA ARG A 91 -14.525 -13.367 0.009 1.00 1.38 H new ATOM 0 HB2 ARG A 91 -12.024 -12.196 1.350 1.00 1.57 H new ATOM 0 HB3 ARG A 91 -13.187 -13.215 2.174 1.00 1.57 H new ATOM 0 HG2 ARG A 91 -11.380 -14.048 -0.123 1.00 2.38 H new ATOM 0 HG3 ARG A 91 -11.169 -14.466 1.566 1.00 2.38 H new ATOM 0 HD2 ARG A 91 -13.437 -15.385 -0.241 1.00 3.85 H new ATOM 0 HD3 ARG A 91 -12.084 -16.357 0.302 1.00 3.85 H new ATOM 0 HE ARG A 91 -13.196 -15.545 2.682 1.00 4.01 H new ATOM 0 HH11 ARG A 91 -14.599 -17.083 -0.188 1.00 6.73 H new ATOM 0 HH12 ARG A 91 -15.853 -17.892 0.758 1.00 6.73 H new ATOM 0 HH21 ARG A 91 -14.806 -16.586 3.819 1.00 5.88 H new ATOM 0 HH22 ARG A 91 -15.967 -17.616 2.976 1.00 5.88 H new ATOM 1446 N PRO A 92 -15.682 -11.635 1.603 1.00 1.66 N ATOM 1447 CA PRO A 92 -16.208 -10.723 2.613 1.00 1.97 C ATOM 1448 C PRO A 92 -15.362 -10.829 3.891 1.00 2.33 C ATOM 1449 O PRO A 92 -14.737 -11.863 4.139 1.00 2.61 O ATOM 1450 CB PRO A 92 -17.649 -11.180 2.848 1.00 2.32 C ATOM 1451 CG PRO A 92 -17.557 -12.695 2.658 1.00 2.42 C ATOM 1452 CD PRO A 92 -16.474 -12.860 1.585 1.00 1.97 C ATOM 0 HA PRO A 92 -16.176 -9.678 2.304 1.00 1.97 H new ATOM 0 HB2 PRO A 92 -17.999 -10.918 3.846 1.00 2.32 H new ATOM 0 HB3 PRO A 92 -18.339 -10.724 2.138 1.00 2.32 H new ATOM 0 HG2 PRO A 92 -17.283 -13.199 3.585 1.00 2.42 H new ATOM 0 HG3 PRO A 92 -18.509 -13.117 2.335 1.00 2.42 H new ATOM 0 HD2 PRO A 92 -15.850 -13.729 1.795 1.00 1.97 H new ATOM 0 HD3 PRO A 92 -16.921 -13.018 0.604 1.00 1.97 H new ATOM 1460 N LEU A 93 -15.365 -9.767 4.703 1.00 2.66 N ATOM 1461 CA LEU A 93 -14.497 -9.564 5.849 1.00 2.92 C ATOM 1462 C LEU A 93 -15.036 -8.405 6.697 1.00 2.50 C ATOM 1463 O LEU A 93 -15.831 -7.579 6.246 1.00 2.82 O ATOM 1464 CB LEU A 93 -13.028 -9.366 5.400 1.00 3.36 C ATOM 1465 CG LEU A 93 -12.718 -8.454 4.189 1.00 2.71 C ATOM 1466 CD1 LEU A 93 -13.142 -6.991 4.392 1.00 3.16 C ATOM 1467 CD2 LEU A 93 -11.202 -8.496 3.932 1.00 2.83 C ATOM 0 H LEU A 93 -16.010 -8.989 4.564 1.00 2.66 H new ATOM 0 HA LEU A 93 -14.496 -10.454 6.479 1.00 2.92 H new ATOM 0 HB2 LEU A 93 -12.475 -8.974 6.254 1.00 3.36 H new ATOM 0 HB3 LEU A 93 -12.618 -10.352 5.180 1.00 3.36 H new ATOM 0 HG LEU A 93 -13.293 -8.833 3.344 1.00 2.71 H new ATOM 0 HD11 LEU A 93 -12.893 -6.413 3.502 1.00 3.16 H new ATOM 0 HD12 LEU A 93 -14.217 -6.945 4.566 1.00 3.16 H new ATOM 0 HD13 LEU A 93 -12.617 -6.576 5.253 1.00 3.16 H new ATOM 0 HD21 LEU A 93 -10.959 -7.859 3.081 1.00 2.83 H new ATOM 0 HD22 LEU A 93 -10.673 -8.138 4.815 1.00 2.83 H new ATOM 0 HD23 LEU A 93 -10.898 -9.520 3.717 1.00 2.83 H new ATOM 1479 N LYS A 94 -14.614 -8.359 7.948 1.00 1.99 N ATOM 1480 CA LYS A 94 -14.795 -7.223 8.854 1.00 1.47 C ATOM 1481 C LYS A 94 -13.450 -6.517 9.135 1.00 1.14 C ATOM 1482 O LYS A 94 -12.424 -6.821 8.534 1.00 1.59 O ATOM 1483 CB LYS A 94 -15.613 -7.624 10.118 1.00 1.80 C ATOM 1484 CG LYS A 94 -15.878 -9.115 10.404 1.00 2.40 C ATOM 1485 CD LYS A 94 -14.603 -9.867 10.794 1.00 3.65 C ATOM 1486 CE LYS A 94 -14.271 -9.812 12.288 1.00 5.26 C ATOM 1487 NZ LYS A 94 -12.830 -10.082 12.485 1.00 6.05 N ATOM 0 H LYS A 94 -14.117 -9.136 8.383 1.00 1.99 H new ATOM 0 HA LYS A 94 -15.410 -6.468 8.364 1.00 1.47 H new ATOM 0 HB2 LYS A 94 -15.099 -7.211 10.986 1.00 1.80 H new ATOM 0 HB3 LYS A 94 -16.580 -7.126 10.054 1.00 1.80 H new ATOM 0 HG2 LYS A 94 -16.610 -9.204 11.207 1.00 2.40 H new ATOM 0 HG3 LYS A 94 -16.316 -9.580 9.521 1.00 2.40 H new ATOM 0 HD2 LYS A 94 -14.704 -10.910 10.494 1.00 3.65 H new ATOM 0 HD3 LYS A 94 -13.765 -9.454 10.232 1.00 3.65 H new ATOM 0 HE2 LYS A 94 -14.527 -8.832 12.692 1.00 5.26 H new ATOM 0 HE3 LYS A 94 -14.867 -10.546 12.831 1.00 5.26 H new ATOM 0 HZ1 LYS A 94 -12.673 -10.443 13.448 1.00 6.05 H new ATOM 0 HZ2 LYS A 94 -12.512 -10.790 11.793 1.00 6.05 H new ATOM 0 HZ3 LYS A 94 -12.291 -9.203 12.353 1.00 6.05 H new ATOM 1501 N ALA A 95 -13.449 -5.532 10.036 1.00 1.00 N ATOM 1502 CA ALA A 95 -12.260 -5.163 10.787 1.00 1.16 C ATOM 1503 C ALA A 95 -11.819 -6.348 11.668 1.00 1.24 C ATOM 1504 O ALA A 95 -12.539 -7.341 11.822 1.00 1.62 O ATOM 1505 CB ALA A 95 -12.585 -3.900 11.594 1.00 1.40 C ATOM 0 H ALA A 95 -14.272 -4.973 10.261 1.00 1.00 H new ATOM 0 HA ALA A 95 -11.420 -4.938 10.130 1.00 1.16 H new ATOM 0 HB1 ALA A 95 -11.709 -3.600 12.169 1.00 1.40 H new ATOM 0 HB2 ALA A 95 -12.866 -3.096 10.914 1.00 1.40 H new ATOM 0 HB3 ALA A 95 -13.412 -4.105 12.274 1.00 1.40 H new ATOM 1511 N GLY A 96 -10.636 -6.248 12.245 1.00 1.05 N ATOM 1512 CA GLY A 96 -10.050 -7.248 13.141 1.00 1.14 C ATOM 1513 C GLY A 96 -9.830 -8.608 12.479 1.00 1.14 C ATOM 1514 O GLY A 96 -10.056 -9.623 13.135 1.00 1.31 O ATOM 0 H GLY A 96 -10.028 -5.441 12.102 1.00 1.05 H new ATOM 0 HA2 GLY A 96 -9.096 -6.876 13.513 1.00 1.14 H new ATOM 0 HA3 GLY A 96 -10.701 -7.375 14.006 1.00 1.14 H new ATOM 1518 N GLU A 97 -9.474 -8.627 11.191 1.00 1.14 N ATOM 1519 CA GLU A 97 -8.970 -9.820 10.488 1.00 1.11 C ATOM 1520 C GLU A 97 -7.451 -9.672 10.282 1.00 1.06 C ATOM 1521 O GLU A 97 -6.872 -8.642 10.630 1.00 1.01 O ATOM 1522 CB GLU A 97 -9.617 -10.008 9.099 1.00 1.15 C ATOM 1523 CG GLU A 97 -11.121 -9.782 8.971 1.00 1.19 C ATOM 1524 CD GLU A 97 -11.958 -10.998 9.331 1.00 1.78 C ATOM 1525 OE1 GLU A 97 -11.814 -11.483 10.475 1.00 3.34 O ATOM 1526 OE2 GLU A 97 -12.888 -11.308 8.554 1.00 2.03 O ATOM 0 H GLU A 97 -9.527 -7.802 10.594 1.00 1.14 H new ATOM 0 HA GLU A 97 -9.219 -10.685 11.102 1.00 1.11 H new ATOM 0 HB2 GLU A 97 -9.118 -9.333 8.404 1.00 1.15 H new ATOM 0 HB3 GLU A 97 -9.403 -11.023 8.766 1.00 1.15 H new ATOM 0 HG2 GLU A 97 -11.410 -8.951 9.614 1.00 1.19 H new ATOM 0 HG3 GLU A 97 -11.348 -9.487 7.947 1.00 1.19 H new ATOM 1533 N GLU A 98 -6.820 -10.643 9.619 1.00 1.13 N ATOM 1534 CA GLU A 98 -5.456 -10.605 9.144 1.00 1.01 C ATOM 1535 C GLU A 98 -5.472 -11.134 7.710 1.00 0.95 C ATOM 1536 O GLU A 98 -6.284 -11.981 7.347 1.00 1.10 O ATOM 1537 CB GLU A 98 -4.498 -11.372 10.074 1.00 1.28 C ATOM 1538 CG GLU A 98 -4.807 -12.873 10.222 1.00 2.14 C ATOM 1539 CD GLU A 98 -3.880 -13.551 11.233 1.00 2.78 C ATOM 1540 OE1 GLU A 98 -2.648 -13.372 11.092 1.00 3.68 O ATOM 1541 OE2 GLU A 98 -4.409 -14.255 12.123 1.00 3.30 O ATOM 0 H GLU A 98 -7.283 -11.523 9.392 1.00 1.13 H new ATOM 0 HA GLU A 98 -5.067 -9.587 9.150 1.00 1.01 H new ATOM 0 HB2 GLU A 98 -3.481 -11.260 9.698 1.00 1.28 H new ATOM 0 HB3 GLU A 98 -4.525 -10.911 11.061 1.00 1.28 H new ATOM 0 HG2 GLU A 98 -5.843 -13.001 10.537 1.00 2.14 H new ATOM 0 HG3 GLU A 98 -4.706 -13.361 9.253 1.00 2.14 H new ATOM 1548 N VAL A 99 -4.626 -10.534 6.893 1.00 0.85 N ATOM 1549 CA VAL A 99 -4.492 -10.692 5.440 1.00 0.82 C ATOM 1550 C VAL A 99 -3.010 -10.640 5.062 1.00 0.78 C ATOM 1551 O VAL A 99 -2.266 -9.796 5.558 1.00 0.86 O ATOM 1552 CB VAL A 99 -5.288 -9.580 4.708 1.00 0.87 C ATOM 1553 CG1 VAL A 99 -4.871 -9.405 3.236 1.00 1.02 C ATOM 1554 CG2 VAL A 99 -6.790 -9.886 4.764 1.00 1.00 C ATOM 0 H VAL A 99 -3.950 -9.861 7.254 1.00 0.85 H new ATOM 0 HA VAL A 99 -4.901 -11.656 5.136 1.00 0.82 H new ATOM 0 HB VAL A 99 -5.061 -8.649 5.227 1.00 0.87 H new ATOM 0 HG11 VAL A 99 -5.465 -8.612 2.781 1.00 1.02 H new ATOM 0 HG12 VAL A 99 -3.815 -9.141 3.186 1.00 1.02 H new ATOM 0 HG13 VAL A 99 -5.038 -10.338 2.697 1.00 1.02 H new ATOM 0 HG21 VAL A 99 -7.341 -9.100 4.248 1.00 1.00 H new ATOM 0 HG22 VAL A 99 -6.985 -10.843 4.280 1.00 1.00 H new ATOM 0 HG23 VAL A 99 -7.113 -9.933 5.804 1.00 1.00 H new ATOM 1564 N GLU A 100 -2.593 -11.521 4.150 1.00 0.75 N ATOM 1565 CA GLU A 100 -1.249 -11.505 3.568 1.00 0.76 C ATOM 1566 C GLU A 100 -1.189 -10.828 2.188 1.00 0.84 C ATOM 1567 O GLU A 100 -2.172 -10.785 1.440 1.00 0.82 O ATOM 1568 CB GLU A 100 -0.628 -12.911 3.552 1.00 1.00 C ATOM 1569 CG GLU A 100 -1.470 -13.997 2.869 1.00 1.49 C ATOM 1570 CD GLU A 100 -0.630 -15.239 2.580 1.00 1.53 C ATOM 1571 OE1 GLU A 100 0.318 -15.548 3.342 1.00 1.96 O ATOM 1572 OE2 GLU A 100 -0.837 -15.865 1.517 1.00 2.42 O ATOM 0 H GLU A 100 -3.183 -12.272 3.792 1.00 0.75 H new ATOM 0 HA GLU A 100 -0.640 -10.882 4.223 1.00 0.76 H new ATOM 0 HB2 GLU A 100 0.339 -12.857 3.051 1.00 1.00 H new ATOM 0 HB3 GLU A 100 -0.437 -13.217 4.581 1.00 1.00 H new ATOM 0 HG2 GLU A 100 -2.313 -14.264 3.507 1.00 1.49 H new ATOM 0 HG3 GLU A 100 -1.885 -13.609 1.938 1.00 1.49 H new ATOM 1579 N LEU A 101 -0.001 -10.310 1.862 1.00 1.01 N ATOM 1580 CA LEU A 101 0.310 -9.566 0.635 1.00 0.87 C ATOM 1581 C LEU A 101 1.678 -9.969 0.087 1.00 0.90 C ATOM 1582 O LEU A 101 2.670 -9.977 0.811 1.00 1.01 O ATOM 1583 CB LEU A 101 0.286 -8.047 0.921 1.00 0.84 C ATOM 1584 CG LEU A 101 -1.032 -7.361 0.495 1.00 1.10 C ATOM 1585 CD1 LEU A 101 -1.567 -6.425 1.577 1.00 1.52 C ATOM 1586 CD2 LEU A 101 -0.846 -6.535 -0.785 1.00 2.16 C ATOM 0 H LEU A 101 0.809 -10.402 2.475 1.00 1.01 H new ATOM 0 HA LEU A 101 -0.445 -9.806 -0.113 1.00 0.87 H new ATOM 0 HB2 LEU A 101 0.444 -7.883 1.987 1.00 0.84 H new ATOM 0 HB3 LEU A 101 1.118 -7.574 0.399 1.00 0.84 H new ATOM 0 HG LEU A 101 -1.744 -8.168 0.324 1.00 1.10 H new ATOM 0 HD11 LEU A 101 -2.494 -5.965 1.234 1.00 1.52 H new ATOM 0 HD12 LEU A 101 -1.759 -6.993 2.487 1.00 1.52 H new ATOM 0 HD13 LEU A 101 -0.831 -5.648 1.782 1.00 1.52 H new ATOM 0 HD21 LEU A 101 -1.792 -6.066 -1.056 1.00 2.16 H new ATOM 0 HD22 LEU A 101 -0.095 -5.764 -0.614 1.00 2.16 H new ATOM 0 HD23 LEU A 101 -0.519 -7.187 -1.595 1.00 2.16 H new ATOM 1598 N ASP A 102 1.737 -10.237 -1.210 1.00 0.93 N ATOM 1599 CA ASP A 102 2.961 -10.313 -2.009 1.00 0.97 C ATOM 1600 C ASP A 102 3.426 -8.887 -2.338 1.00 0.75 C ATOM 1601 O ASP A 102 2.643 -8.089 -2.851 1.00 0.81 O ATOM 1602 CB ASP A 102 2.648 -11.000 -3.347 1.00 1.17 C ATOM 1603 CG ASP A 102 1.969 -12.367 -3.254 1.00 1.69 C ATOM 1604 OD1 ASP A 102 2.706 -13.372 -3.172 1.00 2.13 O ATOM 1605 OD2 ASP A 102 0.719 -12.400 -3.350 1.00 2.58 O ATOM 0 H ASP A 102 0.898 -10.416 -1.762 1.00 0.93 H new ATOM 0 HA ASP A 102 3.721 -10.863 -1.453 1.00 0.97 H new ATOM 0 HB2 ASP A 102 2.010 -10.338 -3.932 1.00 1.17 H new ATOM 0 HB3 ASP A 102 3.580 -11.116 -3.900 1.00 1.17 H new ATOM 1610 N LEU A 103 4.694 -8.559 -2.110 1.00 0.65 N ATOM 1611 CA LEU A 103 5.335 -7.356 -2.626 1.00 0.62 C ATOM 1612 C LEU A 103 6.114 -7.709 -3.894 1.00 0.72 C ATOM 1613 O LEU A 103 6.967 -8.597 -3.862 1.00 0.84 O ATOM 1614 CB LEU A 103 6.278 -6.795 -1.552 1.00 0.68 C ATOM 1615 CG LEU A 103 5.575 -6.056 -0.404 1.00 0.70 C ATOM 1616 CD1 LEU A 103 4.599 -6.887 0.435 1.00 0.89 C ATOM 1617 CD2 LEU A 103 6.653 -5.484 0.521 1.00 0.96 C ATOM 0 H LEU A 103 5.319 -9.137 -1.548 1.00 0.65 H new ATOM 0 HA LEU A 103 4.588 -6.601 -2.871 1.00 0.62 H new ATOM 0 HB2 LEU A 103 6.861 -7.616 -1.135 1.00 0.68 H new ATOM 0 HB3 LEU A 103 6.983 -6.113 -2.027 1.00 0.68 H new ATOM 0 HG LEU A 103 4.959 -5.292 -0.879 1.00 0.70 H new ATOM 0 HD11 LEU A 103 4.164 -6.261 1.214 1.00 0.89 H new ATOM 0 HD12 LEU A 103 3.806 -7.273 -0.205 1.00 0.89 H new ATOM 0 HD13 LEU A 103 5.132 -7.720 0.894 1.00 0.89 H new ATOM 0 HD21 LEU A 103 6.179 -4.953 1.347 1.00 0.96 H new ATOM 0 HD22 LEU A 103 7.263 -6.297 0.915 1.00 0.96 H new ATOM 0 HD23 LEU A 103 7.285 -4.795 -0.039 1.00 0.96 H new ATOM 1629 N LEU A 104 5.857 -6.986 -4.989 1.00 0.70 N ATOM 1630 CA LEU A 104 6.561 -7.140 -6.261 1.00 0.75 C ATOM 1631 C LEU A 104 7.678 -6.094 -6.348 1.00 0.69 C ATOM 1632 O LEU A 104 7.422 -4.890 -6.491 1.00 0.65 O ATOM 1633 CB LEU A 104 5.554 -7.022 -7.426 1.00 0.78 C ATOM 1634 CG LEU A 104 4.414 -8.064 -7.430 1.00 0.84 C ATOM 1635 CD1 LEU A 104 3.554 -7.892 -8.690 1.00 0.88 C ATOM 1636 CD2 LEU A 104 4.918 -9.515 -7.361 1.00 0.96 C ATOM 0 H LEU A 104 5.138 -6.263 -5.014 1.00 0.70 H new ATOM 0 HA LEU A 104 7.023 -8.125 -6.328 1.00 0.75 H new ATOM 0 HB2 LEU A 104 5.112 -6.026 -7.401 1.00 0.78 H new ATOM 0 HB3 LEU A 104 6.101 -7.104 -8.365 1.00 0.78 H new ATOM 0 HG LEU A 104 3.826 -7.881 -6.531 1.00 0.84 H new ATOM 0 HD11 LEU A 104 2.752 -8.630 -8.687 1.00 0.88 H new ATOM 0 HD12 LEU A 104 3.125 -6.890 -8.704 1.00 0.88 H new ATOM 0 HD13 LEU A 104 4.174 -8.034 -9.576 1.00 0.88 H new ATOM 0 HD21 LEU A 104 4.067 -10.196 -7.367 1.00 0.96 H new ATOM 0 HD22 LEU A 104 5.554 -9.721 -8.222 1.00 0.96 H new ATOM 0 HD23 LEU A 104 5.491 -9.658 -6.445 1.00 0.96 H new ATOM 1648 N PHE A 105 8.927 -6.553 -6.263 1.00 0.71 N ATOM 1649 CA PHE A 105 10.127 -5.718 -6.325 1.00 0.71 C ATOM 1650 C PHE A 105 10.839 -5.871 -7.680 1.00 0.78 C ATOM 1651 O PHE A 105 10.910 -6.957 -8.261 1.00 1.03 O ATOM 1652 CB PHE A 105 11.058 -6.094 -5.169 1.00 0.74 C ATOM 1653 CG PHE A 105 10.551 -5.717 -3.788 1.00 0.69 C ATOM 1654 CD1 PHE A 105 10.623 -4.381 -3.352 1.00 1.87 C ATOM 1655 CD2 PHE A 105 10.061 -6.707 -2.919 1.00 1.89 C ATOM 1656 CE1 PHE A 105 10.225 -4.035 -2.050 1.00 1.87 C ATOM 1657 CE2 PHE A 105 9.678 -6.362 -1.612 1.00 1.88 C ATOM 1658 CZ PHE A 105 9.763 -5.030 -1.177 1.00 0.67 C ATOM 0 H PHE A 105 9.138 -7.544 -6.146 1.00 0.71 H new ATOM 0 HA PHE A 105 9.840 -4.671 -6.230 1.00 0.71 H new ATOM 0 HB2 PHE A 105 11.229 -7.170 -5.195 1.00 0.74 H new ATOM 0 HB3 PHE A 105 12.023 -5.614 -5.329 1.00 0.74 H new ATOM 0 HD1 PHE A 105 10.987 -3.617 -4.023 1.00 1.87 H new ATOM 0 HD2 PHE A 105 9.979 -7.730 -3.255 1.00 1.89 H new ATOM 0 HE1 PHE A 105 10.275 -3.007 -1.723 1.00 1.87 H new ATOM 0 HE2 PHE A 105 9.316 -7.125 -0.939 1.00 1.88 H new ATOM 0 HZ PHE A 105 9.472 -4.772 -0.169 1.00 0.67 H new ATOM 1668 N ALA A 106 11.401 -4.768 -8.182 1.00 0.69 N ATOM 1669 CA ALA A 106 12.073 -4.715 -9.480 1.00 0.80 C ATOM 1670 C ALA A 106 13.293 -5.651 -9.568 1.00 1.10 C ATOM 1671 O ALA A 106 14.039 -5.841 -8.604 1.00 1.64 O ATOM 1672 CB ALA A 106 12.464 -3.263 -9.792 1.00 1.48 C ATOM 0 H ALA A 106 11.401 -3.875 -7.690 1.00 0.69 H new ATOM 0 HA ALA A 106 11.370 -5.076 -10.231 1.00 0.80 H new ATOM 0 HB1 ALA A 106 12.965 -3.221 -10.759 1.00 1.48 H new ATOM 0 HB2 ALA A 106 11.568 -2.643 -9.820 1.00 1.48 H new ATOM 0 HB3 ALA A 106 13.137 -2.893 -9.018 1.00 1.48 H new ATOM 1678 N GLY A 107 13.520 -6.215 -10.760 1.00 1.84 N ATOM 1679 CA GLY A 107 14.725 -6.999 -11.058 1.00 2.70 C ATOM 1680 C GLY A 107 14.714 -8.405 -10.453 1.00 2.48 C ATOM 1681 O GLY A 107 15.782 -8.905 -10.104 1.00 3.49 O ATOM 0 H GLY A 107 12.874 -6.141 -11.546 1.00 1.84 H new ATOM 0 HA2 GLY A 107 14.836 -7.080 -12.139 1.00 2.70 H new ATOM 0 HA3 GLY A 107 15.598 -6.461 -10.687 1.00 2.70 H new ATOM 1685 N GLY A 108 13.536 -9.025 -10.302 1.00 1.50 N ATOM 1686 CA GLY A 108 13.389 -10.451 -9.970 1.00 1.56 C ATOM 1687 C GLY A 108 13.381 -10.771 -8.476 1.00 1.51 C ATOM 1688 O GLY A 108 14.057 -11.706 -8.054 1.00 2.08 O ATOM 0 H GLY A 108 12.643 -8.543 -10.409 1.00 1.50 H new ATOM 0 HA2 GLY A 108 12.461 -10.817 -10.409 1.00 1.56 H new ATOM 0 HA3 GLY A 108 14.203 -11.003 -10.440 1.00 1.56 H new ATOM 1692 N LYS A 109 12.653 -10.000 -7.660 1.00 1.04 N ATOM 1693 CA LYS A 109 12.464 -10.263 -6.229 1.00 0.97 C ATOM 1694 C LYS A 109 10.987 -10.174 -5.817 1.00 0.93 C ATOM 1695 O LYS A 109 10.255 -9.317 -6.308 1.00 1.06 O ATOM 1696 CB LYS A 109 13.292 -9.266 -5.400 1.00 0.92 C ATOM 1697 CG LYS A 109 14.802 -9.467 -5.539 1.00 1.40 C ATOM 1698 CD LYS A 109 15.433 -8.557 -6.603 1.00 2.29 C ATOM 1699 CE LYS A 109 16.892 -8.963 -6.828 1.00 2.83 C ATOM 1700 NZ LYS A 109 17.482 -8.227 -7.968 1.00 3.82 N ATOM 0 H LYS A 109 12.170 -9.161 -7.982 1.00 1.04 H new ATOM 0 HA LYS A 109 12.803 -11.281 -6.036 1.00 0.97 H new ATOM 0 HB2 LYS A 109 13.038 -8.251 -5.707 1.00 0.92 H new ATOM 0 HB3 LYS A 109 13.016 -9.360 -4.350 1.00 0.92 H new ATOM 0 HG2 LYS A 109 15.278 -9.277 -4.577 1.00 1.40 H new ATOM 0 HG3 LYS A 109 15.003 -10.508 -5.794 1.00 1.40 H new ATOM 0 HD2 LYS A 109 14.876 -8.632 -7.537 1.00 2.29 H new ATOM 0 HD3 LYS A 109 15.380 -7.516 -6.283 1.00 2.29 H new ATOM 0 HE2 LYS A 109 17.471 -8.766 -5.926 1.00 2.83 H new ATOM 0 HE3 LYS A 109 16.949 -10.035 -7.015 1.00 2.83 H new ATOM 0 HZ1 LYS A 109 18.481 -8.497 -8.076 1.00 3.82 H new ATOM 0 HZ2 LYS A 109 16.964 -8.462 -8.838 1.00 3.82 H new ATOM 0 HZ3 LYS A 109 17.417 -7.204 -7.792 1.00 3.82 H new ATOM 1714 N VAL A 110 10.587 -11.019 -4.868 1.00 0.90 N ATOM 1715 CA VAL A 110 9.237 -11.058 -4.284 1.00 0.89 C ATOM 1716 C VAL A 110 9.346 -11.397 -2.793 1.00 0.88 C ATOM 1717 O VAL A 110 10.253 -12.136 -2.403 1.00 0.97 O ATOM 1718 CB VAL A 110 8.313 -12.076 -5.011 1.00 0.99 C ATOM 1719 CG1 VAL A 110 6.904 -12.175 -4.395 1.00 1.86 C ATOM 1720 CG2 VAL A 110 8.152 -11.748 -6.507 1.00 2.25 C ATOM 0 H VAL A 110 11.210 -11.720 -4.468 1.00 0.90 H new ATOM 0 HA VAL A 110 8.781 -10.076 -4.409 1.00 0.89 H new ATOM 0 HB VAL A 110 8.819 -13.033 -4.887 1.00 0.99 H new ATOM 0 HG11 VAL A 110 6.314 -12.903 -4.952 1.00 1.86 H new ATOM 0 HG12 VAL A 110 6.983 -12.491 -3.355 1.00 1.86 H new ATOM 0 HG13 VAL A 110 6.417 -11.201 -4.442 1.00 1.86 H new ATOM 0 HG21 VAL A 110 7.499 -12.486 -6.973 1.00 2.25 H new ATOM 0 HG22 VAL A 110 7.715 -10.755 -6.617 1.00 2.25 H new ATOM 0 HG23 VAL A 110 9.128 -11.770 -6.992 1.00 2.25 H new ATOM 1730 N LEU A 111 8.445 -10.845 -1.972 1.00 0.82 N ATOM 1731 CA LEU A 111 8.386 -11.060 -0.520 1.00 0.86 C ATOM 1732 C LEU A 111 6.924 -11.011 -0.060 1.00 0.84 C ATOM 1733 O LEU A 111 6.261 -9.994 -0.226 1.00 0.83 O ATOM 1734 CB LEU A 111 9.266 -9.981 0.149 1.00 0.90 C ATOM 1735 CG LEU A 111 9.530 -10.116 1.664 1.00 1.06 C ATOM 1736 CD1 LEU A 111 10.748 -9.250 2.031 1.00 2.02 C ATOM 1737 CD2 LEU A 111 8.343 -9.664 2.531 1.00 2.28 C ATOM 0 H LEU A 111 7.715 -10.218 -2.309 1.00 0.82 H new ATOM 0 HA LEU A 111 8.770 -12.039 -0.235 1.00 0.86 H new ATOM 0 HB2 LEU A 111 10.229 -9.969 -0.361 1.00 0.90 H new ATOM 0 HB3 LEU A 111 8.801 -9.011 -0.026 1.00 0.90 H new ATOM 0 HG LEU A 111 9.700 -11.174 1.865 1.00 1.06 H new ATOM 0 HD11 LEU A 111 10.947 -9.335 3.099 1.00 2.02 H new ATOM 0 HD12 LEU A 111 11.619 -9.591 1.472 1.00 2.02 H new ATOM 0 HD13 LEU A 111 10.542 -8.209 1.782 1.00 2.02 H new ATOM 0 HD21 LEU A 111 8.595 -9.785 3.585 1.00 2.28 H new ATOM 0 HD22 LEU A 111 8.123 -8.616 2.329 1.00 2.28 H new ATOM 0 HD23 LEU A 111 7.468 -10.270 2.295 1.00 2.28 H new ATOM 1749 N LYS A 112 6.417 -12.096 0.536 1.00 1.23 N ATOM 1750 CA LYS A 112 5.033 -12.151 1.034 1.00 1.35 C ATOM 1751 C LYS A 112 4.951 -11.782 2.531 1.00 1.39 C ATOM 1752 O LYS A 112 5.472 -12.518 3.365 1.00 1.80 O ATOM 1753 CB LYS A 112 4.428 -13.529 0.692 1.00 1.67 C ATOM 1754 CG LYS A 112 2.908 -13.592 0.941 1.00 1.95 C ATOM 1755 CD LYS A 112 2.215 -14.655 0.073 1.00 2.37 C ATOM 1756 CE LYS A 112 2.619 -16.099 0.395 1.00 1.92 C ATOM 1757 NZ LYS A 112 1.731 -16.702 1.415 1.00 1.91 N ATOM 0 H LYS A 112 6.947 -12.955 0.687 1.00 1.23 H new ATOM 0 HA LYS A 112 4.427 -11.396 0.533 1.00 1.35 H new ATOM 0 HB2 LYS A 112 4.630 -13.760 -0.354 1.00 1.67 H new ATOM 0 HB3 LYS A 112 4.922 -14.296 1.289 1.00 1.67 H new ATOM 0 HG2 LYS A 112 2.724 -13.810 1.993 1.00 1.95 H new ATOM 0 HG3 LYS A 112 2.468 -12.616 0.736 1.00 1.95 H new ATOM 0 HD2 LYS A 112 1.136 -14.557 0.193 1.00 2.37 H new ATOM 0 HD3 LYS A 112 2.439 -14.453 -0.975 1.00 2.37 H new ATOM 0 HE2 LYS A 112 2.586 -16.698 -0.515 1.00 1.92 H new ATOM 0 HE3 LYS A 112 3.649 -16.118 0.752 1.00 1.92 H new ATOM 0 HZ1 LYS A 112 2.085 -17.646 1.669 1.00 1.91 H new ATOM 0 HZ2 LYS A 112 1.716 -16.099 2.262 1.00 1.91 H new ATOM 0 HZ3 LYS A 112 0.768 -16.785 1.032 1.00 1.91 H new ATOM 1771 N VAL A 113 4.331 -10.647 2.865 1.00 1.18 N ATOM 1772 CA VAL A 113 4.098 -10.166 4.247 1.00 1.21 C ATOM 1773 C VAL A 113 2.763 -10.682 4.803 1.00 1.22 C ATOM 1774 O VAL A 113 1.911 -11.113 4.030 1.00 1.31 O ATOM 1775 CB VAL A 113 4.099 -8.620 4.336 1.00 1.26 C ATOM 1776 CG1 VAL A 113 5.495 -8.041 4.082 1.00 2.38 C ATOM 1777 CG2 VAL A 113 3.079 -7.967 3.399 1.00 2.34 C ATOM 0 H VAL A 113 3.961 -10.008 2.161 1.00 1.18 H new ATOM 0 HA VAL A 113 4.923 -10.558 4.842 1.00 1.21 H new ATOM 0 HB VAL A 113 3.800 -8.383 5.357 1.00 1.26 H new ATOM 0 HG11 VAL A 113 5.456 -6.954 4.153 1.00 2.38 H new ATOM 0 HG12 VAL A 113 6.191 -8.429 4.826 1.00 2.38 H new ATOM 0 HG13 VAL A 113 5.832 -8.328 3.086 1.00 2.38 H new ATOM 0 HG21 VAL A 113 3.127 -6.883 3.507 1.00 2.34 H new ATOM 0 HG22 VAL A 113 3.305 -8.239 2.368 1.00 2.34 H new ATOM 0 HG23 VAL A 113 2.077 -8.313 3.654 1.00 2.34 H new ATOM 1787 N VAL A 114 2.556 -10.564 6.119 1.00 1.27 N ATOM 1788 CA VAL A 114 1.239 -10.720 6.765 1.00 1.22 C ATOM 1789 C VAL A 114 0.951 -9.483 7.628 1.00 1.26 C ATOM 1790 O VAL A 114 1.883 -8.891 8.177 1.00 1.51 O ATOM 1791 CB VAL A 114 1.127 -12.051 7.548 1.00 1.46 C ATOM 1792 CG1 VAL A 114 2.081 -12.121 8.752 1.00 2.97 C ATOM 1793 CG2 VAL A 114 -0.321 -12.321 7.985 1.00 1.63 C ATOM 0 H VAL A 114 3.306 -10.355 6.778 1.00 1.27 H new ATOM 0 HA VAL A 114 0.468 -10.783 5.997 1.00 1.22 H new ATOM 0 HB VAL A 114 1.434 -12.836 6.857 1.00 1.46 H new ATOM 0 HG11 VAL A 114 1.956 -13.077 9.260 1.00 2.97 H new ATOM 0 HG12 VAL A 114 3.110 -12.026 8.407 1.00 2.97 H new ATOM 0 HG13 VAL A 114 1.854 -11.310 9.444 1.00 2.97 H new ATOM 0 HG21 VAL A 114 -0.366 -13.263 8.532 1.00 1.63 H new ATOM 0 HG22 VAL A 114 -0.664 -11.511 8.628 1.00 1.63 H new ATOM 0 HG23 VAL A 114 -0.961 -12.382 7.105 1.00 1.63 H new ATOM 1803 N LEU A 115 -0.313 -9.050 7.667 1.00 1.16 N ATOM 1804 CA LEU A 115 -0.773 -7.798 8.271 1.00 1.23 C ATOM 1805 C LEU A 115 -2.267 -7.851 8.655 1.00 1.10 C ATOM 1806 O LEU A 115 -3.033 -8.582 8.021 1.00 1.15 O ATOM 1807 CB LEU A 115 -0.477 -6.584 7.362 1.00 1.42 C ATOM 1808 CG LEU A 115 -0.916 -6.665 5.884 1.00 1.25 C ATOM 1809 CD1 LEU A 115 -0.987 -5.256 5.280 1.00 1.67 C ATOM 1810 CD2 LEU A 115 0.090 -7.466 5.056 1.00 2.43 C ATOM 0 H LEU A 115 -1.077 -9.588 7.259 1.00 1.16 H new ATOM 0 HA LEU A 115 -0.206 -7.671 9.193 1.00 1.23 H new ATOM 0 HB2 LEU A 115 -0.954 -5.710 7.805 1.00 1.42 H new ATOM 0 HB3 LEU A 115 0.598 -6.405 7.382 1.00 1.42 H new ATOM 0 HG LEU A 115 -1.891 -7.151 5.860 1.00 1.25 H new ATOM 0 HD11 LEU A 115 -1.297 -5.322 4.237 1.00 1.67 H new ATOM 0 HD12 LEU A 115 -1.709 -4.658 5.836 1.00 1.67 H new ATOM 0 HD13 LEU A 115 -0.005 -4.786 5.337 1.00 1.67 H new ATOM 0 HD21 LEU A 115 -0.243 -7.508 4.019 1.00 2.43 H new ATOM 0 HD22 LEU A 115 1.067 -6.984 5.104 1.00 2.43 H new ATOM 0 HD23 LEU A 115 0.165 -8.478 5.454 1.00 2.43 H new ATOM 1822 N PRO A 116 -2.715 -7.062 9.646 1.00 0.97 N ATOM 1823 CA PRO A 116 -4.125 -6.947 10.005 1.00 0.94 C ATOM 1824 C PRO A 116 -4.985 -6.250 8.942 1.00 1.05 C ATOM 1825 O PRO A 116 -4.502 -5.523 8.070 1.00 1.23 O ATOM 1826 CB PRO A 116 -4.147 -6.194 11.343 1.00 0.90 C ATOM 1827 CG PRO A 116 -2.855 -5.379 11.311 1.00 0.90 C ATOM 1828 CD PRO A 116 -1.897 -6.314 10.591 1.00 0.93 C ATOM 0 HA PRO A 116 -4.573 -7.938 10.082 1.00 0.94 H new ATOM 0 HB2 PRO A 116 -5.024 -5.553 11.429 1.00 0.90 H new ATOM 0 HB3 PRO A 116 -4.169 -6.880 12.190 1.00 0.90 H new ATOM 0 HG2 PRO A 116 -2.982 -4.437 10.777 1.00 0.90 H new ATOM 0 HG3 PRO A 116 -2.505 -5.132 12.313 1.00 0.90 H new ATOM 0 HD2 PRO A 116 -1.116 -5.754 10.076 1.00 0.93 H new ATOM 0 HD3 PRO A 116 -1.400 -6.983 11.294 1.00 0.93 H new ATOM 1836 N VAL A 117 -6.294 -6.454 9.064 1.00 1.00 N ATOM 1837 CA VAL A 117 -7.349 -5.667 8.401 1.00 1.03 C ATOM 1838 C VAL A 117 -7.962 -4.726 9.436 1.00 1.06 C ATOM 1839 O VAL A 117 -8.455 -5.200 10.457 1.00 1.09 O ATOM 1840 CB VAL A 117 -8.477 -6.551 7.816 1.00 1.04 C ATOM 1841 CG1 VAL A 117 -9.577 -5.724 7.120 1.00 1.08 C ATOM 1842 CG2 VAL A 117 -7.914 -7.548 6.799 1.00 1.03 C ATOM 0 H VAL A 117 -6.671 -7.200 9.649 1.00 1.00 H new ATOM 0 HA VAL A 117 -6.891 -5.127 7.572 1.00 1.03 H new ATOM 0 HB VAL A 117 -8.917 -7.076 8.664 1.00 1.04 H new ATOM 0 HG11 VAL A 117 -10.343 -6.394 6.728 1.00 1.08 H new ATOM 0 HG12 VAL A 117 -10.027 -5.039 7.839 1.00 1.08 H new ATOM 0 HG13 VAL A 117 -9.140 -5.154 6.300 1.00 1.08 H new ATOM 0 HG21 VAL A 117 -8.724 -8.159 6.401 1.00 1.03 H new ATOM 0 HG22 VAL A 117 -7.435 -7.005 5.984 1.00 1.03 H new ATOM 0 HG23 VAL A 117 -7.181 -8.191 7.287 1.00 1.03 H new ATOM 1852 N GLU A 118 -7.971 -3.425 9.159 1.00 1.12 N ATOM 1853 CA GLU A 118 -8.491 -2.381 10.047 1.00 1.13 C ATOM 1854 C GLU A 118 -8.961 -1.179 9.222 1.00 1.39 C ATOM 1855 O GLU A 118 -8.815 -1.158 8.000 1.00 1.61 O ATOM 1856 CB GLU A 118 -7.439 -1.972 11.110 1.00 1.35 C ATOM 1857 CG GLU A 118 -7.493 -2.793 12.408 1.00 2.09 C ATOM 1858 CD GLU A 118 -8.903 -2.852 13.003 1.00 3.18 C ATOM 1859 OE1 GLU A 118 -9.532 -1.779 13.141 1.00 3.39 O ATOM 1860 OE2 GLU A 118 -9.392 -3.983 13.223 1.00 4.59 O ATOM 0 H GLU A 118 -7.605 -3.053 8.283 1.00 1.12 H new ATOM 0 HA GLU A 118 -9.349 -2.778 10.589 1.00 1.13 H new ATOM 0 HB2 GLU A 118 -6.444 -2.069 10.675 1.00 1.35 H new ATOM 0 HB3 GLU A 118 -7.579 -0.919 11.355 1.00 1.35 H new ATOM 0 HG2 GLU A 118 -7.143 -3.806 12.209 1.00 2.09 H new ATOM 0 HG3 GLU A 118 -6.811 -2.358 13.139 1.00 2.09 H new ATOM 1867 N ALA A 119 -9.578 -0.185 9.859 1.00 1.62 N ATOM 1868 CA ALA A 119 -10.211 0.936 9.163 1.00 2.04 C ATOM 1869 C ALA A 119 -9.256 2.102 8.796 1.00 2.73 C ATOM 1870 O ALA A 119 -8.133 2.221 9.293 1.00 3.82 O ATOM 1871 CB ALA A 119 -11.383 1.413 10.033 1.00 2.33 C ATOM 0 H ALA A 119 -9.654 -0.134 10.875 1.00 1.62 H new ATOM 0 HA ALA A 119 -10.554 0.579 8.192 1.00 2.04 H new ATOM 0 HB1 ALA A 119 -11.881 2.251 9.545 1.00 2.33 H new ATOM 0 HB2 ALA A 119 -12.093 0.597 10.166 1.00 2.33 H new ATOM 0 HB3 ALA A 119 -11.008 1.731 11.006 1.00 2.33 H new ATOM 1877 N ARG A 120 -9.764 3.004 7.943 1.00 2.49 N ATOM 1878 CA ARG A 120 -9.460 4.431 7.825 1.00 2.83 C ATOM 1879 C ARG A 120 -10.646 5.131 7.158 1.00 2.84 C ATOM 1880 O ARG A 120 -11.277 4.480 6.294 1.00 3.50 O ATOM 1881 CB ARG A 120 -8.151 4.622 7.054 1.00 4.01 C ATOM 1882 CG ARG A 120 -8.067 6.022 6.432 1.00 5.03 C ATOM 1883 CD ARG A 120 -6.701 6.263 5.812 1.00 6.38 C ATOM 1884 NE ARG A 120 -5.531 6.319 6.726 1.00 7.02 N ATOM 1885 CZ ARG A 120 -5.415 6.660 7.999 1.00 7.22 C ATOM 1886 NH1 ARG A 120 -6.384 7.108 8.747 1.00 6.78 N ATOM 1887 NH2 ARG A 120 -4.253 6.531 8.566 1.00 8.42 N ATOM 1888 OXT ARG A 120 -10.857 6.312 7.476 1.00 3.34 O ATOM 0 H ARG A 120 -10.463 2.723 7.256 1.00 2.49 H new ATOM 0 HA ARG A 120 -9.314 4.880 8.807 1.00 2.83 H new ATOM 0 HB2 ARG A 120 -7.306 4.469 7.725 1.00 4.01 H new ATOM 0 HB3 ARG A 120 -8.076 3.869 6.270 1.00 4.01 H new ATOM 0 HG2 ARG A 120 -8.840 6.133 5.671 1.00 5.03 H new ATOM 0 HG3 ARG A 120 -8.261 6.775 7.196 1.00 5.03 H new ATOM 0 HD2 ARG A 120 -6.520 5.474 5.082 1.00 6.38 H new ATOM 0 HD3 ARG A 120 -6.743 7.203 5.262 1.00 6.38 H new ATOM 0 HE ARG A 120 -4.651 6.042 6.290 1.00 7.02 H new ATOM 0 HH11 ARG A 120 -7.320 7.219 8.357 1.00 6.78 H new ATOM 0 HH12 ARG A 120 -6.206 7.348 9.722 1.00 6.78 H new ATOM 0 HH21 ARG A 120 -3.461 6.175 8.031 1.00 8.42 H new ATOM 0 HH22 ARG A 120 -4.133 6.786 9.546 1.00 8.42 H new TER 1902 ARG A 120 HETATM 1903 CU CU1 A 121 -6.144 5.476 -4.048 1.00 0.80 CU