USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=17 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 Set 1.1: A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 150:sc= 0.458 (180deg=-0.332) USER MOD Single : A 2 SER OG : rot -112:sc= 1.27 USER MOD Single : A 4 THR OG1 : rot -69:sc= 0.942 USER MOD Single : A 11 SER OG : rot -162:sc= 1.53 USER MOD Single : A 15 ASN : amide:sc= -0.0389 K(o=-0.039,f=-1.2!) USER MOD Single : A 19 TYR OH : rot -171:sc= 1.74 USER MOD Single : A 21 THR OG1 : rot 76:sc= 1.41 USER MOD Single : A 24 ASN : amide:sc= 0.445 K(o=0.44,f=-6.4!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.616 USER MOD Single : A 48 THR OG1 : rot 169:sc= 0.832 USER MOD Single : A 56 LYS NZ :NH3+ 178:sc= 0.684 (180deg=0.671) USER MOD Single : A 57 LYS NZ :NH3+ -136:sc= 0.363 (180deg=-0.308!) USER MOD Single : A 61 MET CE :methyl -173:sc= 0 (180deg=-0.0514) USER MOD Single : A 72 LYS NZ :NH3+ 140:sc= 0.715 (180deg=0.233!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -149:sc= -0.689 (180deg=-1.37!) USER MOD Single : A 94 LYS NZ :NH3+ -111:sc= 0.836 (180deg=-0.277) USER MOD Single : A 109 LYS NZ :NH3+ -144:sc= 1 (180deg=0.325) USER MOD Single : A 112 LYS NZ :NH3+ -165:sc= 0.945 (180deg=0.634) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.877 -5.837 11.478 1.00 10.23 N ATOM 2 CA GLY A 1 12.934 -7.049 12.318 1.00 10.48 C ATOM 3 C GLY A 1 11.696 -7.877 12.045 1.00 10.31 C ATOM 4 O GLY A 1 11.563 -8.385 10.942 1.00 11.14 O ATOM 0 H1 GLY A 1 13.369 -5.057 11.960 1.00 10.23 H new ATOM 0 H2 GLY A 1 13.338 -6.025 10.565 1.00 10.23 H new ATOM 0 H3 GLY A 1 11.884 -5.573 11.317 1.00 10.23 H new ATOM 0 HA2 GLY A 1 13.832 -7.624 12.094 1.00 10.48 H new ATOM 0 HA3 GLY A 1 12.984 -6.778 13.373 1.00 10.48 H new ATOM 10 N SER A 2 10.721 -7.869 12.957 1.00 9.57 N ATOM 11 CA SER A 2 9.352 -7.589 12.475 1.00 8.91 C ATOM 12 C SER A 2 9.372 -6.196 11.819 1.00 7.62 C ATOM 13 O SER A 2 10.200 -5.368 12.225 1.00 7.47 O ATOM 14 CB SER A 2 8.346 -7.658 13.626 1.00 9.01 C ATOM 15 OG SER A 2 7.038 -7.688 13.109 1.00 9.54 O ATOM 0 H SER A 2 10.828 -8.038 13.957 1.00 9.57 H new ATOM 0 HA SER A 2 9.038 -8.337 11.747 1.00 8.91 H new ATOM 0 HB2 SER A 2 8.530 -8.547 14.230 1.00 9.01 H new ATOM 0 HB3 SER A 2 8.469 -6.796 14.282 1.00 9.01 H new ATOM 0 HG SER A 2 6.578 -6.852 13.334 1.00 9.54 H new ATOM 21 N PHE A 3 8.632 -5.975 10.727 1.00 7.41 N ATOM 22 CA PHE A 3 9.029 -4.942 9.760 1.00 7.11 C ATOM 23 C PHE A 3 7.940 -4.407 8.823 1.00 6.45 C ATOM 24 O PHE A 3 8.177 -3.386 8.178 1.00 7.10 O ATOM 25 CB PHE A 3 10.195 -5.494 8.910 1.00 8.88 C ATOM 26 CG PHE A 3 9.789 -6.273 7.668 1.00 10.56 C ATOM 27 CD1 PHE A 3 9.569 -7.662 7.736 1.00 11.72 C ATOM 28 CD2 PHE A 3 9.587 -5.597 6.448 1.00 11.38 C ATOM 29 CE1 PHE A 3 9.130 -8.361 6.595 1.00 13.52 C ATOM 30 CE2 PHE A 3 9.124 -6.291 5.317 1.00 13.17 C ATOM 31 CZ PHE A 3 8.894 -7.674 5.391 1.00 14.19 C ATOM 0 H PHE A 3 7.778 -6.481 10.493 1.00 7.41 H new ATOM 0 HA PHE A 3 9.302 -4.081 10.370 1.00 7.11 H new ATOM 0 HB2 PHE A 3 10.825 -4.659 8.604 1.00 8.88 H new ATOM 0 HB3 PHE A 3 10.806 -6.141 9.540 1.00 8.88 H new ATOM 0 HD1 PHE A 3 9.737 -8.191 8.663 1.00 11.72 H new ATOM 0 HD2 PHE A 3 9.789 -4.538 6.382 1.00 11.38 H new ATOM 0 HE1 PHE A 3 8.974 -9.429 6.645 1.00 13.52 H new ATOM 0 HE2 PHE A 3 8.945 -5.761 4.393 1.00 13.17 H new ATOM 0 HZ PHE A 3 8.536 -8.210 4.524 1.00 14.19 H new ATOM 41 N THR A 4 6.801 -5.094 8.686 1.00 5.70 N ATOM 42 CA THR A 4 5.797 -4.866 7.626 1.00 5.64 C ATOM 43 C THR A 4 4.615 -4.039 8.124 1.00 4.03 C ATOM 44 O THR A 4 3.667 -3.816 7.381 1.00 4.71 O ATOM 45 CB THR A 4 5.299 -6.199 7.038 1.00 7.19 C ATOM 46 OG1 THR A 4 6.300 -7.183 7.122 1.00 7.77 O ATOM 47 CG2 THR A 4 4.930 -6.075 5.557 1.00 8.90 C ATOM 0 H THR A 4 6.539 -5.846 9.324 1.00 5.70 H new ATOM 0 HA THR A 4 6.294 -4.298 6.840 1.00 5.64 H new ATOM 0 HB THR A 4 4.419 -6.473 7.620 1.00 7.19 H new ATOM 0 HG1 THR A 4 7.028 -6.963 6.504 1.00 7.77 H new ATOM 0 HG21 THR A 4 4.584 -7.040 5.186 1.00 8.90 H new ATOM 0 HG22 THR A 4 4.137 -5.336 5.440 1.00 8.90 H new ATOM 0 HG23 THR A 4 5.806 -5.760 4.989 1.00 8.90 H new ATOM 55 N GLU A 5 4.658 -3.551 9.360 1.00 2.60 N ATOM 56 CA GLU A 5 3.445 -3.365 10.152 1.00 1.53 C ATOM 57 C GLU A 5 2.585 -2.213 9.599 1.00 1.01 C ATOM 58 O GLU A 5 3.022 -1.065 9.503 1.00 1.37 O ATOM 59 CB GLU A 5 3.781 -3.156 11.652 1.00 1.95 C ATOM 60 CG GLU A 5 5.238 -3.360 12.128 1.00 3.11 C ATOM 61 CD GLU A 5 5.744 -4.807 12.103 1.00 4.18 C ATOM 62 OE1 GLU A 5 5.534 -5.517 11.098 1.00 5.00 O ATOM 63 OE2 GLU A 5 6.433 -5.211 13.061 1.00 5.06 O ATOM 0 H GLU A 5 5.518 -3.277 9.835 1.00 2.60 H new ATOM 0 HA GLU A 5 2.854 -4.278 10.073 1.00 1.53 H new ATOM 0 HB2 GLU A 5 3.487 -2.140 11.917 1.00 1.95 H new ATOM 0 HB3 GLU A 5 3.149 -3.831 12.228 1.00 1.95 H new ATOM 0 HG2 GLU A 5 5.894 -2.753 11.504 1.00 3.11 H new ATOM 0 HG3 GLU A 5 5.326 -2.980 13.146 1.00 3.11 H new ATOM 70 N GLY A 6 1.384 -2.583 9.148 1.00 0.90 N ATOM 71 CA GLY A 6 0.291 -1.736 8.670 1.00 0.89 C ATOM 72 C GLY A 6 -1.040 -2.496 8.687 1.00 0.70 C ATOM 73 O GLY A 6 -1.084 -3.643 9.126 1.00 0.92 O ATOM 0 H GLY A 6 1.130 -3.570 9.105 1.00 0.90 H new ATOM 0 HA2 GLY A 6 0.214 -0.847 9.296 1.00 0.89 H new ATOM 0 HA3 GLY A 6 0.506 -1.395 7.657 1.00 0.89 H new ATOM 77 N TRP A 7 -2.115 -1.883 8.186 1.00 0.73 N ATOM 78 CA TRP A 7 -3.431 -2.521 8.058 1.00 0.64 C ATOM 79 C TRP A 7 -3.908 -2.665 6.604 1.00 0.65 C ATOM 80 O TRP A 7 -3.522 -1.895 5.733 1.00 0.67 O ATOM 81 CB TRP A 7 -4.461 -1.727 8.868 1.00 0.93 C ATOM 82 CG TRP A 7 -4.838 -0.349 8.391 1.00 1.07 C ATOM 83 CD1 TRP A 7 -6.044 0.004 7.886 1.00 1.22 C ATOM 84 CD2 TRP A 7 -4.068 0.897 8.459 1.00 1.34 C ATOM 85 NE1 TRP A 7 -6.075 1.362 7.633 1.00 1.57 N ATOM 86 CE2 TRP A 7 -4.867 1.955 7.926 1.00 1.70 C ATOM 87 CE3 TRP A 7 -2.797 1.258 8.958 1.00 1.44 C ATOM 88 CZ2 TRP A 7 -4.414 3.280 7.839 1.00 2.16 C ATOM 89 CZ3 TRP A 7 -2.329 2.585 8.881 1.00 1.88 C ATOM 90 CH2 TRP A 7 -3.125 3.592 8.307 1.00 2.24 C ATOM 0 H TRP A 7 -2.098 -0.919 7.854 1.00 0.73 H new ATOM 0 HA TRP A 7 -3.329 -3.534 8.447 1.00 0.64 H new ATOM 0 HB2 TRP A 7 -5.373 -2.322 8.920 1.00 0.93 H new ATOM 0 HB3 TRP A 7 -4.083 -1.634 9.886 1.00 0.93 H new ATOM 0 HD1 TRP A 7 -6.863 -0.677 7.707 1.00 1.22 H new ATOM 0 HE1 TRP A 7 -6.889 1.862 7.275 1.00 1.57 H new ATOM 0 HE3 TRP A 7 -2.171 0.502 9.408 1.00 1.44 H new ATOM 0 HZ2 TRP A 7 -5.046 4.049 7.419 1.00 2.16 H new ATOM 0 HZ3 TRP A 7 -1.350 2.831 9.266 1.00 1.88 H new ATOM 0 HH2 TRP A 7 -2.748 4.601 8.226 1.00 2.24 H new ATOM 101 N VAL A 8 -4.812 -3.604 6.334 1.00 0.88 N ATOM 102 CA VAL A 8 -5.676 -3.530 5.139 1.00 0.95 C ATOM 103 C VAL A 8 -6.945 -2.756 5.514 1.00 1.01 C ATOM 104 O VAL A 8 -7.427 -2.874 6.638 1.00 0.99 O ATOM 105 CB VAL A 8 -5.953 -4.927 4.554 1.00 1.05 C ATOM 106 CG1 VAL A 8 -6.947 -4.905 3.385 1.00 1.23 C ATOM 107 CG2 VAL A 8 -4.630 -5.533 4.055 1.00 1.02 C ATOM 0 H VAL A 8 -4.971 -4.425 6.918 1.00 0.88 H new ATOM 0 HA VAL A 8 -5.173 -2.991 4.336 1.00 0.95 H new ATOM 0 HB VAL A 8 -6.396 -5.523 5.352 1.00 1.05 H new ATOM 0 HG11 VAL A 8 -7.099 -5.920 3.018 1.00 1.23 H new ATOM 0 HG12 VAL A 8 -7.898 -4.495 3.724 1.00 1.23 H new ATOM 0 HG13 VAL A 8 -6.550 -4.284 2.582 1.00 1.23 H new ATOM 0 HG21 VAL A 8 -4.817 -6.523 3.639 1.00 1.02 H new ATOM 0 HG22 VAL A 8 -4.203 -4.891 3.285 1.00 1.02 H new ATOM 0 HG23 VAL A 8 -3.931 -5.616 4.887 1.00 1.02 H new ATOM 117 N ARG A 9 -7.461 -1.923 4.607 1.00 1.11 N ATOM 118 CA ARG A 9 -8.590 -1.035 4.898 1.00 1.18 C ATOM 119 C ARG A 9 -9.924 -1.789 4.901 1.00 1.28 C ATOM 120 O ARG A 9 -10.258 -2.473 3.931 1.00 2.33 O ATOM 121 CB ARG A 9 -8.621 0.116 3.882 1.00 1.34 C ATOM 122 CG ARG A 9 -9.521 1.276 4.334 1.00 1.45 C ATOM 123 CD ARG A 9 -9.649 2.338 3.230 1.00 1.81 C ATOM 124 NE ARG A 9 -10.202 3.601 3.741 1.00 1.90 N ATOM 125 CZ ARG A 9 -9.526 4.477 4.472 1.00 2.99 C ATOM 126 NH1 ARG A 9 -8.241 4.347 4.720 1.00 4.51 N ATOM 127 NH2 ARG A 9 -10.139 5.494 5.031 1.00 3.58 N ATOM 0 H ARG A 9 -7.109 -1.845 3.653 1.00 1.11 H new ATOM 0 HA ARG A 9 -8.450 -0.628 5.900 1.00 1.18 H new ATOM 0 HB2 ARG A 9 -7.608 0.486 3.726 1.00 1.34 H new ATOM 0 HB3 ARG A 9 -8.974 -0.261 2.922 1.00 1.34 H new ATOM 0 HG2 ARG A 9 -10.509 0.895 4.593 1.00 1.45 H new ATOM 0 HG3 ARG A 9 -9.109 1.731 5.235 1.00 1.45 H new ATOM 0 HD2 ARG A 9 -8.669 2.523 2.790 1.00 1.81 H new ATOM 0 HD3 ARG A 9 -10.289 1.958 2.434 1.00 1.81 H new ATOM 0 HE ARG A 9 -11.173 3.819 3.518 1.00 1.90 H new ATOM 0 HH11 ARG A 9 -7.727 3.550 4.345 1.00 4.51 H new ATOM 0 HH12 ARG A 9 -7.758 5.044 5.287 1.00 4.51 H new ATOM 0 HH21 ARG A 9 -11.144 5.616 4.905 1.00 3.58 H new ATOM 0 HH22 ARG A 9 -9.611 6.163 5.592 1.00 3.58 H new ATOM 141 N PHE A 10 -10.714 -1.563 5.953 1.00 0.83 N ATOM 142 CA PHE A 10 -12.125 -1.929 6.046 1.00 0.87 C ATOM 143 C PHE A 10 -12.902 -1.567 4.767 1.00 0.92 C ATOM 144 O PHE A 10 -12.808 -0.431 4.296 1.00 1.11 O ATOM 145 CB PHE A 10 -12.721 -1.189 7.260 1.00 1.00 C ATOM 146 CG PHE A 10 -14.229 -1.296 7.393 1.00 1.08 C ATOM 147 CD1 PHE A 10 -15.069 -0.508 6.582 1.00 1.69 C ATOM 148 CD2 PHE A 10 -14.799 -2.204 8.299 1.00 1.82 C ATOM 149 CE1 PHE A 10 -16.458 -0.698 6.603 1.00 1.75 C ATOM 150 CE2 PHE A 10 -16.196 -2.364 8.359 1.00 2.03 C ATOM 151 CZ PHE A 10 -17.025 -1.623 7.496 1.00 1.48 C ATOM 0 H PHE A 10 -10.372 -1.101 6.796 1.00 0.83 H new ATOM 0 HA PHE A 10 -12.209 -3.009 6.166 1.00 0.87 H new ATOM 0 HB2 PHE A 10 -12.262 -1.580 8.168 1.00 1.00 H new ATOM 0 HB3 PHE A 10 -12.450 -0.135 7.194 1.00 1.00 H new ATOM 0 HD1 PHE A 10 -14.640 0.247 5.940 1.00 1.69 H new ATOM 0 HD2 PHE A 10 -14.163 -2.782 8.953 1.00 1.82 H new ATOM 0 HE1 PHE A 10 -17.091 -0.134 5.934 1.00 1.75 H new ATOM 0 HE2 PHE A 10 -16.631 -3.054 9.066 1.00 2.03 H new ATOM 0 HZ PHE A 10 -18.095 -1.765 7.520 1.00 1.48 H new ATOM 161 N SER A 11 -13.741 -2.481 4.275 1.00 1.06 N ATOM 162 CA SER A 11 -14.671 -2.263 3.156 1.00 1.29 C ATOM 163 C SER A 11 -15.563 -3.494 2.882 1.00 1.52 C ATOM 164 O SER A 11 -15.038 -4.600 2.727 1.00 1.68 O ATOM 165 CB SER A 11 -13.921 -1.937 1.855 1.00 1.61 C ATOM 166 OG SER A 11 -14.837 -1.644 0.813 1.00 2.59 O ATOM 0 H SER A 11 -13.796 -3.426 4.655 1.00 1.06 H new ATOM 0 HA SER A 11 -15.294 -1.421 3.458 1.00 1.29 H new ATOM 0 HB2 SER A 11 -13.258 -1.087 2.014 1.00 1.61 H new ATOM 0 HB3 SER A 11 -13.294 -2.781 1.569 1.00 1.61 H new ATOM 0 HG SER A 11 -14.384 -1.722 -0.052 1.00 2.59 H new ATOM 172 N PRO A 12 -16.896 -3.327 2.780 1.00 1.70 N ATOM 173 CA PRO A 12 -17.808 -4.327 2.228 1.00 1.93 C ATOM 174 C PRO A 12 -18.028 -4.149 0.711 1.00 1.70 C ATOM 175 O PRO A 12 -18.817 -4.887 0.123 1.00 2.34 O ATOM 176 CB PRO A 12 -19.107 -4.091 3.006 1.00 2.33 C ATOM 177 CG PRO A 12 -19.137 -2.568 3.139 1.00 2.26 C ATOM 178 CD PRO A 12 -17.661 -2.198 3.301 1.00 1.90 C ATOM 0 HA PRO A 12 -17.419 -5.340 2.332 1.00 1.93 H new ATOM 0 HB2 PRO A 12 -19.977 -4.469 2.469 1.00 2.33 H new ATOM 0 HB3 PRO A 12 -19.094 -4.584 3.978 1.00 2.33 H new ATOM 0 HG2 PRO A 12 -19.575 -2.096 2.260 1.00 2.26 H new ATOM 0 HG3 PRO A 12 -19.728 -2.251 3.999 1.00 2.26 H new ATOM 0 HD2 PRO A 12 -17.427 -1.284 2.754 1.00 1.90 H new ATOM 0 HD3 PRO A 12 -17.419 -2.014 4.348 1.00 1.90 H new ATOM 186 N GLY A 13 -17.380 -3.155 0.082 1.00 1.05 N ATOM 187 CA GLY A 13 -17.590 -2.779 -1.318 1.00 1.02 C ATOM 188 C GLY A 13 -16.685 -3.542 -2.296 1.00 0.93 C ATOM 189 O GLY A 13 -15.933 -4.427 -1.891 1.00 1.13 O ATOM 0 H GLY A 13 -16.679 -2.579 0.548 1.00 1.05 H new ATOM 0 HA2 GLY A 13 -18.632 -2.959 -1.583 1.00 1.02 H new ATOM 0 HA3 GLY A 13 -17.413 -1.709 -1.430 1.00 1.02 H new ATOM 193 N PRO A 14 -16.731 -3.202 -3.599 1.00 1.00 N ATOM 194 CA PRO A 14 -15.935 -3.870 -4.629 1.00 1.20 C ATOM 195 C PRO A 14 -14.432 -3.581 -4.509 1.00 0.95 C ATOM 196 O PRO A 14 -13.624 -4.355 -5.023 1.00 1.10 O ATOM 197 CB PRO A 14 -16.492 -3.350 -5.958 1.00 1.59 C ATOM 198 CG PRO A 14 -17.037 -1.965 -5.606 1.00 1.57 C ATOM 199 CD PRO A 14 -17.558 -2.155 -4.184 1.00 1.26 C ATOM 0 HA PRO A 14 -16.014 -4.953 -4.535 1.00 1.20 H new ATOM 0 HB2 PRO A 14 -15.717 -3.293 -6.722 1.00 1.59 H new ATOM 0 HB3 PRO A 14 -17.275 -4.001 -6.346 1.00 1.59 H new ATOM 0 HG2 PRO A 14 -16.261 -1.201 -5.653 1.00 1.57 H new ATOM 0 HG3 PRO A 14 -17.829 -1.657 -6.289 1.00 1.57 H new ATOM 0 HD2 PRO A 14 -17.482 -1.230 -3.612 1.00 1.26 H new ATOM 0 HD3 PRO A 14 -18.609 -2.442 -4.187 1.00 1.26 H new ATOM 207 N ASN A 15 -14.053 -2.478 -3.852 1.00 0.74 N ATOM 208 CA ASN A 15 -12.695 -2.022 -3.657 1.00 0.65 C ATOM 209 C ASN A 15 -12.340 -1.711 -2.187 1.00 0.66 C ATOM 210 O ASN A 15 -13.197 -1.553 -1.313 1.00 0.92 O ATOM 211 CB ASN A 15 -12.519 -0.787 -4.554 1.00 0.84 C ATOM 212 CG ASN A 15 -13.506 0.353 -4.304 1.00 1.47 C ATOM 213 OD1 ASN A 15 -14.126 0.475 -3.261 1.00 2.39 O ATOM 214 ND2 ASN A 15 -13.699 1.222 -5.281 1.00 1.71 N ATOM 0 H ASN A 15 -14.735 -1.853 -3.422 1.00 0.74 H new ATOM 0 HA ASN A 15 -12.005 -2.822 -3.928 1.00 0.65 H new ATOM 0 HB2 ASN A 15 -11.507 -0.404 -4.421 1.00 0.84 H new ATOM 0 HB3 ASN A 15 -12.607 -1.100 -5.594 1.00 0.84 H new ATOM 0 HD21 ASN A 15 -14.362 1.987 -5.159 1.00 1.71 H new ATOM 0 HD22 ASN A 15 -13.185 1.127 -6.157 1.00 1.71 H new ATOM 221 N ALA A 16 -11.037 -1.571 -1.928 1.00 0.56 N ATOM 222 CA ALA A 16 -10.395 -1.276 -0.648 1.00 0.57 C ATOM 223 C ALA A 16 -9.025 -0.587 -0.859 1.00 0.56 C ATOM 224 O ALA A 16 -8.631 -0.282 -1.986 1.00 0.56 O ATOM 225 CB ALA A 16 -10.297 -2.585 0.152 1.00 0.57 C ATOM 0 H ALA A 16 -10.347 -1.670 -2.673 1.00 0.56 H new ATOM 0 HA ALA A 16 -10.990 -0.566 -0.074 1.00 0.57 H new ATOM 0 HB1 ALA A 16 -9.820 -2.390 1.113 1.00 0.57 H new ATOM 0 HB2 ALA A 16 -11.297 -2.986 0.318 1.00 0.57 H new ATOM 0 HB3 ALA A 16 -9.704 -3.309 -0.407 1.00 0.57 H new ATOM 231 N ALA A 17 -8.300 -0.311 0.224 1.00 0.60 N ATOM 232 CA ALA A 17 -6.898 0.138 0.243 1.00 0.61 C ATOM 233 C ALA A 17 -6.076 -0.824 1.128 1.00 0.70 C ATOM 234 O ALA A 17 -6.665 -1.623 1.854 1.00 1.14 O ATOM 235 CB ALA A 17 -6.822 1.582 0.758 1.00 0.95 C ATOM 0 H ALA A 17 -8.689 -0.397 1.163 1.00 0.60 H new ATOM 0 HA ALA A 17 -6.481 0.124 -0.764 1.00 0.61 H new ATOM 0 HB1 ALA A 17 -5.782 1.910 0.770 1.00 0.95 H new ATOM 0 HB2 ALA A 17 -7.400 2.233 0.102 1.00 0.95 H new ATOM 0 HB3 ALA A 17 -7.229 1.630 1.768 1.00 0.95 H new ATOM 241 N ALA A 18 -4.749 -0.708 1.140 1.00 0.59 N ATOM 242 CA ALA A 18 -3.852 -1.469 2.013 1.00 0.67 C ATOM 243 C ALA A 18 -2.578 -0.680 2.337 1.00 0.69 C ATOM 244 O ALA A 18 -2.235 0.307 1.670 1.00 0.64 O ATOM 245 CB ALA A 18 -3.544 -2.839 1.395 1.00 0.70 C ATOM 0 H ALA A 18 -4.252 -0.063 0.525 1.00 0.59 H new ATOM 0 HA ALA A 18 -4.358 -1.639 2.963 1.00 0.67 H new ATOM 0 HB1 ALA A 18 -2.876 -3.394 2.054 1.00 0.70 H new ATOM 0 HB2 ALA A 18 -4.472 -3.396 1.265 1.00 0.70 H new ATOM 0 HB3 ALA A 18 -3.065 -2.701 0.426 1.00 0.70 H new ATOM 251 N TYR A 19 -1.917 -1.103 3.409 1.00 1.15 N ATOM 252 CA TYR A 19 -0.934 -0.307 4.139 1.00 1.15 C ATOM 253 C TYR A 19 0.061 -1.195 4.894 1.00 1.20 C ATOM 254 O TYR A 19 -0.298 -2.252 5.408 1.00 1.98 O ATOM 255 CB TYR A 19 -1.670 0.607 5.127 1.00 1.26 C ATOM 256 CG TYR A 19 -0.822 1.756 5.596 1.00 2.51 C ATOM 257 CD1 TYR A 19 -0.792 2.922 4.824 1.00 2.98 C ATOM 258 CD2 TYR A 19 -0.041 1.650 6.762 1.00 4.57 C ATOM 259 CE1 TYR A 19 -0.003 4.004 5.231 1.00 4.89 C ATOM 260 CE2 TYR A 19 0.766 2.727 7.171 1.00 6.43 C ATOM 261 CZ TYR A 19 0.777 3.918 6.414 1.00 6.47 C ATOM 262 OH TYR A 19 1.545 4.966 6.821 1.00 8.43 O ATOM 0 H TYR A 19 -2.053 -2.033 3.805 1.00 1.15 H new ATOM 0 HA TYR A 19 -0.367 0.288 3.423 1.00 1.15 H new ATOM 0 HB2 TYR A 19 -2.572 0.996 4.654 1.00 1.26 H new ATOM 0 HB3 TYR A 19 -1.990 0.021 5.989 1.00 1.26 H new ATOM 0 HD1 TYR A 19 -1.375 2.987 3.917 1.00 2.98 H new ATOM 0 HD2 TYR A 19 -0.061 0.740 7.344 1.00 4.57 H new ATOM 0 HE1 TYR A 19 0.013 4.909 4.642 1.00 4.89 H new ATOM 0 HE2 TYR A 19 1.374 2.643 8.060 1.00 6.43 H new ATOM 0 HH TYR A 19 2.117 4.683 7.565 1.00 8.43 H new ATOM 272 N LEU A 20 1.316 -0.738 4.968 1.00 1.11 N ATOM 273 CA LEU A 20 2.459 -1.484 5.490 1.00 1.15 C ATOM 274 C LEU A 20 3.620 -0.551 5.843 1.00 1.11 C ATOM 275 O LEU A 20 3.755 0.538 5.270 1.00 1.06 O ATOM 276 CB LEU A 20 2.855 -2.604 4.497 1.00 1.31 C ATOM 277 CG LEU A 20 3.248 -2.188 3.059 1.00 1.24 C ATOM 278 CD1 LEU A 20 4.738 -1.833 2.922 1.00 2.23 C ATOM 279 CD2 LEU A 20 2.932 -3.338 2.094 1.00 1.51 C ATOM 0 H LEU A 20 1.570 0.198 4.653 1.00 1.11 H new ATOM 0 HA LEU A 20 2.176 -1.967 6.425 1.00 1.15 H new ATOM 0 HB2 LEU A 20 3.693 -3.153 4.928 1.00 1.31 H new ATOM 0 HB3 LEU A 20 2.020 -3.301 4.428 1.00 1.31 H new ATOM 0 HG LEU A 20 2.671 -1.295 2.820 1.00 1.24 H new ATOM 0 HD11 LEU A 20 4.951 -1.550 1.891 1.00 2.23 H new ATOM 0 HD12 LEU A 20 4.976 -1.000 3.584 1.00 2.23 H new ATOM 0 HD13 LEU A 20 5.344 -2.697 3.194 1.00 2.23 H new ATOM 0 HD21 LEU A 20 3.208 -3.048 1.080 1.00 1.51 H new ATOM 0 HD22 LEU A 20 3.498 -4.223 2.385 1.00 1.51 H new ATOM 0 HD23 LEU A 20 1.866 -3.561 2.130 1.00 1.51 H new ATOM 291 N THR A 21 4.486 -1.019 6.745 1.00 1.28 N ATOM 292 CA THR A 21 5.834 -0.478 6.948 1.00 1.30 C ATOM 293 C THR A 21 6.778 -1.114 5.934 1.00 1.42 C ATOM 294 O THR A 21 6.633 -2.283 5.590 1.00 1.55 O ATOM 295 CB THR A 21 6.327 -0.711 8.382 1.00 1.45 C ATOM 296 OG1 THR A 21 5.517 0.016 9.279 1.00 1.98 O ATOM 297 CG2 THR A 21 7.754 -0.204 8.599 1.00 1.94 C ATOM 0 H THR A 21 4.267 -1.798 7.366 1.00 1.28 H new ATOM 0 HA THR A 21 5.809 0.601 6.797 1.00 1.30 H new ATOM 0 HB THR A 21 6.287 -1.787 8.551 1.00 1.45 H new ATOM 0 HG1 THR A 21 4.659 -0.445 9.392 1.00 1.98 H new ATOM 0 HG21 THR A 21 8.055 -0.393 9.630 1.00 1.94 H new ATOM 0 HG22 THR A 21 8.432 -0.724 7.922 1.00 1.94 H new ATOM 0 HG23 THR A 21 7.794 0.867 8.400 1.00 1.94 H new ATOM 305 N LEU A 22 7.768 -0.345 5.476 1.00 1.61 N ATOM 306 CA LEU A 22 8.880 -0.850 4.667 1.00 1.86 C ATOM 307 C LEU A 22 10.196 -0.641 5.422 1.00 1.59 C ATOM 308 O LEU A 22 10.625 0.490 5.643 1.00 1.61 O ATOM 309 CB LEU A 22 8.859 -0.157 3.290 1.00 2.41 C ATOM 310 CG LEU A 22 9.427 -0.959 2.098 1.00 2.76 C ATOM 311 CD1 LEU A 22 10.862 -1.458 2.308 1.00 3.25 C ATOM 312 CD2 LEU A 22 8.513 -2.145 1.755 1.00 2.76 C ATOM 0 H LEU A 22 7.821 0.657 5.658 1.00 1.61 H new ATOM 0 HA LEU A 22 8.780 -1.921 4.492 1.00 1.86 H new ATOM 0 HB2 LEU A 22 7.828 0.109 3.059 1.00 2.41 H new ATOM 0 HB3 LEU A 22 9.419 0.775 3.370 1.00 2.41 H new ATOM 0 HG LEU A 22 9.460 -0.256 1.265 1.00 2.76 H new ATOM 0 HD11 LEU A 22 11.187 -2.011 1.427 1.00 3.25 H new ATOM 0 HD12 LEU A 22 11.524 -0.607 2.467 1.00 3.25 H new ATOM 0 HD13 LEU A 22 10.896 -2.111 3.180 1.00 3.25 H new ATOM 0 HD21 LEU A 22 8.932 -2.696 0.913 1.00 2.76 H new ATOM 0 HD22 LEU A 22 8.435 -2.806 2.618 1.00 2.76 H new ATOM 0 HD23 LEU A 22 7.522 -1.776 1.490 1.00 2.76 H new ATOM 324 N GLU A 23 10.839 -1.739 5.801 1.00 1.50 N ATOM 325 CA GLU A 23 12.212 -1.774 6.318 1.00 1.34 C ATOM 326 C GLU A 23 13.142 -2.319 5.232 1.00 1.30 C ATOM 327 O GLU A 23 12.764 -3.217 4.481 1.00 1.44 O ATOM 328 CB GLU A 23 12.284 -2.683 7.552 1.00 1.38 C ATOM 329 CG GLU A 23 13.616 -2.633 8.312 1.00 2.86 C ATOM 330 CD GLU A 23 13.609 -3.644 9.456 1.00 3.02 C ATOM 331 OE1 GLU A 23 13.079 -3.324 10.542 1.00 3.36 O ATOM 332 OE2 GLU A 23 14.075 -4.791 9.269 1.00 3.68 O ATOM 0 H GLU A 23 10.409 -2.663 5.758 1.00 1.50 H new ATOM 0 HA GLU A 23 12.518 -0.766 6.599 1.00 1.34 H new ATOM 0 HB2 GLU A 23 11.481 -2.408 8.236 1.00 1.38 H new ATOM 0 HB3 GLU A 23 12.098 -3.711 7.240 1.00 1.38 H new ATOM 0 HG2 GLU A 23 14.440 -2.849 7.631 1.00 2.86 H new ATOM 0 HG3 GLU A 23 13.782 -1.630 8.705 1.00 2.86 H new ATOM 339 N ASN A 24 14.375 -1.814 5.184 1.00 1.26 N ATOM 340 CA ASN A 24 15.403 -2.253 4.245 1.00 1.19 C ATOM 341 C ASN A 24 16.550 -2.976 4.980 1.00 0.99 C ATOM 342 O ASN A 24 17.638 -2.416 5.111 1.00 1.01 O ATOM 343 CB ASN A 24 15.853 -1.000 3.480 1.00 1.38 C ATOM 344 CG ASN A 24 16.520 -1.286 2.146 1.00 1.39 C ATOM 345 OD1 ASN A 24 16.195 -0.666 1.157 1.00 3.06 O ATOM 346 ND2 ASN A 24 17.449 -2.215 2.044 1.00 1.50 N ATOM 0 H ASN A 24 14.692 -1.074 5.810 1.00 1.26 H new ATOM 0 HA ASN A 24 15.024 -2.991 3.537 1.00 1.19 H new ATOM 0 HB2 ASN A 24 14.986 -0.362 3.310 1.00 1.38 H new ATOM 0 HB3 ASN A 24 16.545 -0.436 4.105 1.00 1.38 H new ATOM 0 HD21 ASN A 24 17.884 -2.404 1.141 1.00 1.50 H new ATOM 0 HD22 ASN A 24 17.733 -2.745 2.868 1.00 1.50 H new ATOM 353 N PRO A 25 16.358 -4.220 5.461 1.00 1.09 N ATOM 354 CA PRO A 25 17.354 -4.921 6.274 1.00 1.07 C ATOM 355 C PRO A 25 18.665 -5.254 5.538 1.00 1.03 C ATOM 356 O PRO A 25 19.677 -5.477 6.200 1.00 1.13 O ATOM 357 CB PRO A 25 16.647 -6.188 6.767 1.00 1.24 C ATOM 358 CG PRO A 25 15.574 -6.435 5.706 1.00 1.42 C ATOM 359 CD PRO A 25 15.149 -5.022 5.342 1.00 1.40 C ATOM 0 HA PRO A 25 17.686 -4.276 7.087 1.00 1.07 H new ATOM 0 HB2 PRO A 25 17.337 -7.028 6.843 1.00 1.24 H new ATOM 0 HB3 PRO A 25 16.209 -6.045 7.755 1.00 1.24 H new ATOM 0 HG2 PRO A 25 15.969 -6.975 4.846 1.00 1.42 H new ATOM 0 HG3 PRO A 25 14.743 -7.022 6.097 1.00 1.42 H new ATOM 0 HD2 PRO A 25 14.746 -4.980 4.330 1.00 1.40 H new ATOM 0 HD3 PRO A 25 14.368 -4.660 6.011 1.00 1.40 H new ATOM 367 N GLY A 26 18.679 -5.263 4.197 1.00 0.97 N ATOM 368 CA GLY A 26 19.884 -5.453 3.395 1.00 1.04 C ATOM 369 C GLY A 26 20.741 -4.193 3.295 1.00 0.97 C ATOM 370 O GLY A 26 20.443 -3.139 3.848 1.00 1.23 O ATOM 0 H GLY A 26 17.837 -5.136 3.636 1.00 0.97 H new ATOM 0 HA2 GLY A 26 20.479 -6.257 3.829 1.00 1.04 H new ATOM 0 HA3 GLY A 26 19.600 -5.772 2.392 1.00 1.04 H new ATOM 374 N ASP A 27 21.838 -4.338 2.573 1.00 0.98 N ATOM 375 CA ASP A 27 22.954 -3.401 2.477 1.00 1.30 C ATOM 376 C ASP A 27 22.929 -2.602 1.163 1.00 1.31 C ATOM 377 O ASP A 27 23.733 -1.705 0.932 1.00 1.53 O ATOM 378 CB ASP A 27 24.201 -4.275 2.612 1.00 1.62 C ATOM 379 CG ASP A 27 24.275 -4.855 4.029 1.00 2.12 C ATOM 380 OD1 ASP A 27 24.848 -4.190 4.915 1.00 2.89 O ATOM 381 OD2 ASP A 27 23.586 -5.865 4.301 1.00 2.78 O ATOM 0 H ASP A 27 21.987 -5.167 1.998 1.00 0.98 H new ATOM 0 HA ASP A 27 22.915 -2.634 3.251 1.00 1.30 H new ATOM 0 HB2 ASP A 27 24.172 -5.082 1.880 1.00 1.62 H new ATOM 0 HB3 ASP A 27 25.094 -3.686 2.403 1.00 1.62 H new ATOM 386 N LEU A 28 21.945 -2.928 0.326 1.00 1.11 N ATOM 387 CA LEU A 28 21.601 -2.303 -0.942 1.00 1.09 C ATOM 388 C LEU A 28 20.141 -1.814 -0.903 1.00 0.98 C ATOM 389 O LEU A 28 19.354 -2.343 -0.108 1.00 0.89 O ATOM 390 CB LEU A 28 21.929 -3.311 -2.058 1.00 1.17 C ATOM 391 CG LEU A 28 21.102 -4.619 -2.086 1.00 1.48 C ATOM 392 CD1 LEU A 28 19.756 -4.469 -2.816 1.00 1.98 C ATOM 393 CD2 LEU A 28 21.912 -5.715 -2.794 1.00 1.80 C ATOM 0 H LEU A 28 21.317 -3.703 0.540 1.00 1.11 H new ATOM 0 HA LEU A 28 22.185 -1.405 -1.143 1.00 1.09 H new ATOM 0 HB2 LEU A 28 21.802 -2.809 -3.017 1.00 1.17 H new ATOM 0 HB3 LEU A 28 22.983 -3.578 -1.975 1.00 1.17 H new ATOM 0 HG LEU A 28 20.891 -4.878 -1.049 1.00 1.48 H new ATOM 0 HD11 LEU A 28 19.225 -5.421 -2.800 1.00 1.98 H new ATOM 0 HD12 LEU A 28 19.154 -3.710 -2.317 1.00 1.98 H new ATOM 0 HD13 LEU A 28 19.934 -4.170 -3.849 1.00 1.98 H new ATOM 0 HD21 LEU A 28 21.333 -6.638 -2.816 1.00 1.80 H new ATOM 0 HD22 LEU A 28 22.134 -5.402 -3.814 1.00 1.80 H new ATOM 0 HD23 LEU A 28 22.844 -5.884 -2.255 1.00 1.80 H new ATOM 405 N PRO A 29 19.764 -0.813 -1.719 1.00 1.06 N ATOM 406 CA PRO A 29 18.458 -0.178 -1.635 1.00 1.05 C ATOM 407 C PRO A 29 17.375 -1.063 -2.254 1.00 0.98 C ATOM 408 O PRO A 29 17.574 -1.695 -3.292 1.00 1.01 O ATOM 409 CB PRO A 29 18.598 1.154 -2.372 1.00 1.16 C ATOM 410 CG PRO A 29 19.685 0.871 -3.409 1.00 1.22 C ATOM 411 CD PRO A 29 20.579 -0.179 -2.745 1.00 1.21 C ATOM 0 HA PRO A 29 18.150 -0.021 -0.601 1.00 1.05 H new ATOM 0 HB2 PRO A 29 17.662 1.453 -2.843 1.00 1.16 H new ATOM 0 HB3 PRO A 29 18.887 1.959 -1.696 1.00 1.16 H new ATOM 0 HG2 PRO A 29 19.259 0.498 -4.340 1.00 1.22 H new ATOM 0 HG3 PRO A 29 20.246 1.773 -3.654 1.00 1.22 H new ATOM 0 HD2 PRO A 29 20.927 -0.911 -3.474 1.00 1.21 H new ATOM 0 HD3 PRO A 29 21.465 0.283 -2.309 1.00 1.21 H new ATOM 419 N LEU A 30 16.212 -1.080 -1.603 1.00 0.97 N ATOM 420 CA LEU A 30 15.002 -1.721 -2.099 1.00 0.94 C ATOM 421 C LEU A 30 14.113 -0.749 -2.864 1.00 0.91 C ATOM 422 O LEU A 30 13.987 0.434 -2.555 1.00 0.93 O ATOM 423 CB LEU A 30 14.202 -2.351 -0.946 1.00 0.94 C ATOM 424 CG LEU A 30 14.798 -3.672 -0.450 1.00 0.99 C ATOM 425 CD1 LEU A 30 14.152 -4.050 0.889 1.00 2.08 C ATOM 426 CD2 LEU A 30 14.592 -4.827 -1.435 1.00 1.25 C ATOM 0 H LEU A 30 16.086 -0.636 -0.693 1.00 0.97 H new ATOM 0 HA LEU A 30 15.321 -2.504 -2.787 1.00 0.94 H new ATOM 0 HB2 LEU A 30 14.157 -1.646 -0.116 1.00 0.94 H new ATOM 0 HB3 LEU A 30 13.177 -2.523 -1.275 1.00 0.94 H new ATOM 0 HG LEU A 30 15.871 -3.515 -0.343 1.00 0.99 H new ATOM 0 HD11 LEU A 30 14.574 -4.990 1.244 1.00 2.08 H new ATOM 0 HD12 LEU A 30 14.346 -3.266 1.621 1.00 2.08 H new ATOM 0 HD13 LEU A 30 13.076 -4.163 0.755 1.00 2.08 H new ATOM 0 HD21 LEU A 30 15.036 -5.736 -1.028 1.00 1.25 H new ATOM 0 HD22 LEU A 30 13.525 -4.984 -1.594 1.00 1.25 H new ATOM 0 HD23 LEU A 30 15.068 -4.584 -2.385 1.00 1.25 H new ATOM 438 N ARG A 31 13.407 -1.352 -3.813 1.00 0.88 N ATOM 439 CA ARG A 31 12.424 -0.695 -4.679 1.00 0.87 C ATOM 440 C ARG A 31 11.164 -1.542 -4.779 1.00 0.90 C ATOM 441 O ARG A 31 11.209 -2.644 -5.326 1.00 0.99 O ATOM 442 CB ARG A 31 13.022 -0.456 -6.072 1.00 0.84 C ATOM 443 CG ARG A 31 12.174 0.537 -6.890 1.00 0.94 C ATOM 444 CD ARG A 31 12.861 0.999 -8.182 1.00 0.73 C ATOM 445 NE ARG A 31 14.083 1.752 -7.872 1.00 1.33 N ATOM 446 CZ ARG A 31 15.095 2.077 -8.657 1.00 1.08 C ATOM 447 NH1 ARG A 31 15.091 1.838 -9.955 1.00 1.62 N ATOM 448 NH2 ARG A 31 16.141 2.657 -8.125 1.00 1.98 N ATOM 0 H ARG A 31 13.504 -2.348 -4.011 1.00 0.88 H new ATOM 0 HA ARG A 31 12.160 0.269 -4.245 1.00 0.87 H new ATOM 0 HB2 ARG A 31 14.037 -0.072 -5.972 1.00 0.84 H new ATOM 0 HB3 ARG A 31 13.091 -1.403 -6.607 1.00 0.84 H new ATOM 0 HG2 ARG A 31 11.221 0.071 -7.140 1.00 0.94 H new ATOM 0 HG3 ARG A 31 11.951 1.408 -6.274 1.00 0.94 H new ATOM 0 HD2 ARG A 31 13.106 0.135 -8.800 1.00 0.73 H new ATOM 0 HD3 ARG A 31 12.179 1.622 -8.761 1.00 0.73 H new ATOM 0 HE ARG A 31 14.162 2.072 -6.907 1.00 1.33 H new ATOM 0 HH11 ARG A 31 14.286 1.386 -10.388 1.00 1.62 H new ATOM 0 HH12 ARG A 31 15.893 2.105 -10.525 1.00 1.62 H new ATOM 0 HH21 ARG A 31 16.163 2.849 -7.124 1.00 1.98 H new ATOM 0 HH22 ARG A 31 16.934 2.917 -8.712 1.00 1.98 H new ATOM 462 N LEU A 32 10.052 -1.039 -4.250 1.00 0.82 N ATOM 463 CA LEU A 32 8.756 -1.714 -4.188 1.00 0.83 C ATOM 464 C LEU A 32 7.905 -1.264 -5.376 1.00 0.85 C ATOM 465 O LEU A 32 7.496 -0.110 -5.428 1.00 0.88 O ATOM 466 CB LEU A 32 8.131 -1.349 -2.834 1.00 0.86 C ATOM 467 CG LEU A 32 6.774 -2.014 -2.522 1.00 0.95 C ATOM 468 CD1 LEU A 32 6.928 -3.508 -2.208 1.00 1.79 C ATOM 469 CD2 LEU A 32 6.137 -1.310 -1.316 1.00 2.16 C ATOM 0 H LEU A 32 10.027 -0.108 -3.834 1.00 0.82 H new ATOM 0 HA LEU A 32 8.841 -2.799 -4.256 1.00 0.83 H new ATOM 0 HB2 LEU A 32 8.835 -1.616 -2.046 1.00 0.86 H new ATOM 0 HB3 LEU A 32 8.002 -0.267 -2.794 1.00 0.86 H new ATOM 0 HG LEU A 32 6.141 -1.920 -3.405 1.00 0.95 H new ATOM 0 HD11 LEU A 32 5.949 -3.938 -1.994 1.00 1.79 H new ATOM 0 HD12 LEU A 32 7.368 -4.017 -3.066 1.00 1.79 H new ATOM 0 HD13 LEU A 32 7.576 -3.633 -1.341 1.00 1.79 H new ATOM 0 HD21 LEU A 32 5.177 -1.774 -1.089 1.00 2.16 H new ATOM 0 HD22 LEU A 32 6.796 -1.399 -0.453 1.00 2.16 H new ATOM 0 HD23 LEU A 32 5.984 -0.256 -1.549 1.00 2.16 H new ATOM 481 N VAL A 33 7.648 -2.174 -6.312 1.00 0.84 N ATOM 482 CA VAL A 33 7.032 -1.877 -7.625 1.00 0.82 C ATOM 483 C VAL A 33 5.576 -2.369 -7.711 1.00 0.79 C ATOM 484 O VAL A 33 4.810 -1.918 -8.560 1.00 0.81 O ATOM 485 CB VAL A 33 7.864 -2.488 -8.783 1.00 0.85 C ATOM 486 CG1 VAL A 33 9.293 -1.909 -8.820 1.00 0.87 C ATOM 487 CG2 VAL A 33 7.985 -4.023 -8.714 1.00 0.91 C ATOM 0 H VAL A 33 7.863 -3.163 -6.187 1.00 0.84 H new ATOM 0 HA VAL A 33 7.024 -0.792 -7.725 1.00 0.82 H new ATOM 0 HB VAL A 33 7.313 -2.222 -9.685 1.00 0.85 H new ATOM 0 HG11 VAL A 33 9.847 -2.360 -9.644 1.00 0.87 H new ATOM 0 HG12 VAL A 33 9.245 -0.830 -8.963 1.00 0.87 H new ATOM 0 HG13 VAL A 33 9.799 -2.128 -7.880 1.00 0.87 H new ATOM 0 HG21 VAL A 33 8.580 -4.379 -9.555 1.00 0.91 H new ATOM 0 HG22 VAL A 33 8.470 -4.308 -7.780 1.00 0.91 H new ATOM 0 HG23 VAL A 33 6.991 -4.469 -8.758 1.00 0.91 H new ATOM 497 N GLY A 34 5.197 -3.309 -6.838 1.00 0.77 N ATOM 498 CA GLY A 34 3.851 -3.865 -6.725 1.00 0.85 C ATOM 499 C GLY A 34 3.575 -4.497 -5.369 1.00 0.84 C ATOM 500 O GLY A 34 4.400 -4.497 -4.452 1.00 0.81 O ATOM 0 H GLY A 34 5.847 -3.717 -6.166 1.00 0.77 H new ATOM 0 HA2 GLY A 34 3.122 -3.075 -6.905 1.00 0.85 H new ATOM 0 HA3 GLY A 34 3.708 -4.614 -7.504 1.00 0.85 H new ATOM 504 N ALA A 35 2.400 -5.102 -5.296 1.00 0.87 N ATOM 505 CA ALA A 35 1.972 -6.000 -4.238 1.00 0.80 C ATOM 506 C ALA A 35 1.193 -7.179 -4.853 1.00 0.69 C ATOM 507 O ALA A 35 1.028 -7.261 -6.071 1.00 0.71 O ATOM 508 CB ALA A 35 1.158 -5.191 -3.214 1.00 0.79 C ATOM 0 H ALA A 35 1.683 -4.972 -6.010 1.00 0.87 H new ATOM 0 HA ALA A 35 2.820 -6.435 -3.709 1.00 0.80 H new ATOM 0 HB1 ALA A 35 0.827 -5.849 -2.411 1.00 0.79 H new ATOM 0 HB2 ALA A 35 1.780 -4.397 -2.800 1.00 0.79 H new ATOM 0 HB3 ALA A 35 0.289 -4.752 -3.705 1.00 0.79 H new ATOM 514 N ARG A 36 0.673 -8.060 -4.005 1.00 0.61 N ATOM 515 CA ARG A 36 -0.395 -9.022 -4.313 1.00 0.59 C ATOM 516 C ARG A 36 -1.130 -9.365 -3.009 1.00 0.56 C ATOM 517 O ARG A 36 -0.725 -8.921 -1.941 1.00 0.69 O ATOM 518 CB ARG A 36 0.170 -10.278 -5.000 1.00 0.67 C ATOM 519 CG ARG A 36 -0.216 -10.440 -6.467 1.00 1.33 C ATOM 520 CD ARG A 36 -0.240 -11.927 -6.840 1.00 1.52 C ATOM 521 NE ARG A 36 -1.474 -12.576 -6.350 1.00 2.52 N ATOM 522 CZ ARG A 36 -1.600 -13.452 -5.355 1.00 3.60 C ATOM 523 NH1 ARG A 36 -0.598 -13.855 -4.594 1.00 3.89 N ATOM 524 NH2 ARG A 36 -2.798 -13.935 -5.095 1.00 5.02 N ATOM 0 H ARG A 36 0.994 -8.131 -3.040 1.00 0.61 H new ATOM 0 HA ARG A 36 -1.101 -8.580 -5.016 1.00 0.59 H new ATOM 0 HB2 ARG A 36 1.257 -10.256 -4.926 1.00 0.67 H new ATOM 0 HB3 ARG A 36 -0.169 -11.157 -4.452 1.00 0.67 H new ATOM 0 HG2 ARG A 36 -1.195 -9.996 -6.645 1.00 1.33 H new ATOM 0 HG3 ARG A 36 0.495 -9.909 -7.100 1.00 1.33 H new ATOM 0 HD2 ARG A 36 -0.173 -12.035 -7.923 1.00 1.52 H new ATOM 0 HD3 ARG A 36 0.631 -12.426 -6.415 1.00 1.52 H new ATOM 0 HE ARG A 36 -2.335 -12.322 -6.834 1.00 2.52 H new ATOM 0 HH11 ARG A 36 0.342 -13.491 -4.753 1.00 3.89 H new ATOM 0 HH12 ARG A 36 -0.764 -14.530 -3.847 1.00 3.89 H new ATOM 0 HH21 ARG A 36 -3.600 -13.636 -5.650 1.00 5.02 H new ATOM 0 HH22 ARG A 36 -2.924 -14.608 -4.338 1.00 5.02 H new ATOM 538 N THR A 37 -2.204 -10.151 -3.067 1.00 0.50 N ATOM 539 CA THR A 37 -3.095 -10.474 -1.937 1.00 0.57 C ATOM 540 C THR A 37 -4.069 -11.566 -2.386 1.00 0.54 C ATOM 541 O THR A 37 -4.311 -11.664 -3.590 1.00 0.48 O ATOM 542 CB THR A 37 -3.809 -9.202 -1.442 1.00 0.67 C ATOM 543 OG1 THR A 37 -4.764 -9.506 -0.460 1.00 0.76 O ATOM 544 CG2 THR A 37 -4.548 -8.431 -2.536 1.00 0.68 C ATOM 0 H THR A 37 -2.495 -10.602 -3.934 1.00 0.50 H new ATOM 0 HA THR A 37 -2.526 -10.855 -1.089 1.00 0.57 H new ATOM 0 HB THR A 37 -3.001 -8.582 -1.053 1.00 0.67 H new ATOM 0 HG1 THR A 37 -5.201 -8.681 -0.162 1.00 0.76 H new ATOM 0 HG21 THR A 37 -5.023 -7.550 -2.103 1.00 0.68 H new ATOM 0 HG22 THR A 37 -3.840 -8.121 -3.304 1.00 0.68 H new ATOM 0 HG23 THR A 37 -5.309 -9.071 -2.982 1.00 0.68 H new ATOM 552 N PRO A 38 -4.657 -12.380 -1.485 1.00 0.69 N ATOM 553 CA PRO A 38 -5.714 -13.309 -1.864 1.00 0.72 C ATOM 554 C PRO A 38 -7.083 -12.634 -1.992 1.00 0.73 C ATOM 555 O PRO A 38 -8.012 -13.259 -2.491 1.00 0.84 O ATOM 556 CB PRO A 38 -5.699 -14.368 -0.767 1.00 0.81 C ATOM 557 CG PRO A 38 -5.250 -13.617 0.482 1.00 0.91 C ATOM 558 CD PRO A 38 -4.335 -12.526 -0.069 1.00 0.90 C ATOM 0 HA PRO A 38 -5.539 -13.732 -2.853 1.00 0.72 H new ATOM 0 HB2 PRO A 38 -6.685 -14.812 -0.630 1.00 0.81 H new ATOM 0 HB3 PRO A 38 -5.014 -15.181 -1.009 1.00 0.81 H new ATOM 0 HG2 PRO A 38 -6.097 -13.195 1.023 1.00 0.91 H new ATOM 0 HG3 PRO A 38 -4.722 -14.271 1.176 1.00 0.91 H new ATOM 0 HD2 PRO A 38 -4.491 -11.587 0.462 1.00 0.90 H new ATOM 0 HD3 PRO A 38 -3.288 -12.797 0.063 1.00 0.90 H new ATOM 566 N VAL A 39 -7.218 -11.376 -1.551 1.00 0.68 N ATOM 567 CA VAL A 39 -8.496 -10.630 -1.541 1.00 0.70 C ATOM 568 C VAL A 39 -8.479 -9.373 -2.430 1.00 0.69 C ATOM 569 O VAL A 39 -8.964 -8.315 -2.039 1.00 0.73 O ATOM 570 CB VAL A 39 -9.003 -10.351 -0.102 1.00 0.75 C ATOM 571 CG1 VAL A 39 -9.377 -11.664 0.608 1.00 0.91 C ATOM 572 CG2 VAL A 39 -7.966 -9.598 0.741 1.00 0.73 C ATOM 0 H VAL A 39 -6.435 -10.835 -1.185 1.00 0.68 H new ATOM 0 HA VAL A 39 -9.231 -11.290 -2.002 1.00 0.70 H new ATOM 0 HB VAL A 39 -9.887 -9.720 -0.199 1.00 0.75 H new ATOM 0 HG11 VAL A 39 -9.730 -11.445 1.616 1.00 0.91 H new ATOM 0 HG12 VAL A 39 -10.165 -12.168 0.049 1.00 0.91 H new ATOM 0 HG13 VAL A 39 -8.501 -12.310 0.663 1.00 0.91 H new ATOM 0 HG21 VAL A 39 -8.366 -9.425 1.740 1.00 0.73 H new ATOM 0 HG22 VAL A 39 -7.055 -10.192 0.812 1.00 0.73 H new ATOM 0 HG23 VAL A 39 -7.740 -8.641 0.270 1.00 0.73 H new ATOM 582 N ALA A 40 -7.976 -9.508 -3.667 1.00 0.70 N ATOM 583 CA ALA A 40 -8.154 -8.543 -4.767 1.00 0.72 C ATOM 584 C ALA A 40 -7.806 -9.191 -6.121 1.00 0.80 C ATOM 585 O ALA A 40 -6.989 -10.113 -6.153 1.00 1.00 O ATOM 586 CB ALA A 40 -7.293 -7.293 -4.525 1.00 0.79 C ATOM 0 H ALA A 40 -7.417 -10.316 -3.939 1.00 0.70 H new ATOM 0 HA ALA A 40 -9.201 -8.241 -4.796 1.00 0.72 H new ATOM 0 HB1 ALA A 40 -7.435 -6.589 -5.345 1.00 0.79 H new ATOM 0 HB2 ALA A 40 -7.590 -6.822 -3.588 1.00 0.79 H new ATOM 0 HB3 ALA A 40 -6.243 -7.580 -4.470 1.00 0.79 H new ATOM 592 N GLU A 41 -8.395 -8.705 -7.218 1.00 0.82 N ATOM 593 CA GLU A 41 -8.057 -9.102 -8.596 1.00 0.91 C ATOM 594 C GLU A 41 -6.923 -8.218 -9.141 1.00 0.77 C ATOM 595 O GLU A 41 -5.920 -8.691 -9.674 1.00 0.90 O ATOM 596 CB GLU A 41 -9.312 -8.945 -9.481 1.00 1.15 C ATOM 597 CG GLU A 41 -9.279 -9.825 -10.738 1.00 1.31 C ATOM 598 CD GLU A 41 -9.867 -11.188 -10.402 1.00 1.71 C ATOM 599 OE1 GLU A 41 -9.204 -11.977 -9.696 1.00 2.31 O ATOM 600 OE2 GLU A 41 -11.077 -11.397 -10.634 1.00 2.86 O ATOM 0 H GLU A 41 -9.138 -8.008 -7.176 1.00 0.82 H new ATOM 0 HA GLU A 41 -7.723 -10.139 -8.604 1.00 0.91 H new ATOM 0 HB2 GLU A 41 -10.196 -9.194 -8.894 1.00 1.15 H new ATOM 0 HB3 GLU A 41 -9.411 -7.901 -9.779 1.00 1.15 H new ATOM 0 HG2 GLU A 41 -9.848 -9.357 -11.541 1.00 1.31 H new ATOM 0 HG3 GLU A 41 -8.255 -9.934 -11.095 1.00 1.31 H new ATOM 607 N ARG A 42 -7.078 -6.905 -8.945 1.00 0.75 N ATOM 608 CA ARG A 42 -6.056 -5.882 -9.110 1.00 0.75 C ATOM 609 C ARG A 42 -5.608 -5.455 -7.723 1.00 0.65 C ATOM 610 O ARG A 42 -6.429 -5.124 -6.870 1.00 0.78 O ATOM 611 CB ARG A 42 -6.639 -4.657 -9.833 1.00 1.14 C ATOM 612 CG ARG A 42 -6.668 -4.793 -11.359 1.00 1.52 C ATOM 613 CD ARG A 42 -7.501 -3.682 -12.019 1.00 2.08 C ATOM 614 NE ARG A 42 -6.992 -2.324 -11.731 1.00 3.88 N ATOM 615 CZ ARG A 42 -6.976 -1.267 -12.534 1.00 4.80 C ATOM 616 NH1 ARG A 42 -7.375 -1.318 -13.789 1.00 4.46 N ATOM 617 NH2 ARG A 42 -6.554 -0.118 -12.065 1.00 6.66 N ATOM 0 H ARG A 42 -7.972 -6.512 -8.651 1.00 0.75 H new ATOM 0 HA ARG A 42 -5.227 -6.278 -9.697 1.00 0.75 H new ATOM 0 HB2 ARG A 42 -7.654 -4.484 -9.474 1.00 1.14 H new ATOM 0 HB3 ARG A 42 -6.053 -3.777 -9.567 1.00 1.14 H new ATOM 0 HG2 ARG A 42 -5.649 -4.761 -11.746 1.00 1.52 H new ATOM 0 HG3 ARG A 42 -7.081 -5.765 -11.629 1.00 1.52 H new ATOM 0 HD2 ARG A 42 -7.513 -3.838 -13.098 1.00 2.08 H new ATOM 0 HD3 ARG A 42 -8.533 -3.757 -11.675 1.00 2.08 H new ATOM 0 HE ARG A 42 -6.605 -2.181 -10.798 1.00 3.88 H new ATOM 0 HH11 ARG A 42 -7.714 -2.196 -14.181 1.00 4.46 H new ATOM 0 HH12 ARG A 42 -7.344 -0.479 -14.368 1.00 4.46 H new ATOM 0 HH21 ARG A 42 -6.244 -0.046 -11.096 1.00 6.66 H new ATOM 0 HH22 ARG A 42 -6.535 0.704 -12.669 1.00 6.66 H new ATOM 631 N VAL A 43 -4.297 -5.369 -7.542 1.00 0.78 N ATOM 632 CA VAL A 43 -3.684 -4.436 -6.596 1.00 0.76 C ATOM 633 C VAL A 43 -2.779 -3.495 -7.388 1.00 0.89 C ATOM 634 O VAL A 43 -2.223 -3.883 -8.417 1.00 1.22 O ATOM 635 CB VAL A 43 -2.924 -5.140 -5.458 1.00 0.98 C ATOM 636 CG1 VAL A 43 -1.630 -5.813 -5.926 1.00 1.28 C ATOM 637 CG2 VAL A 43 -2.588 -4.195 -4.295 1.00 0.96 C ATOM 0 H VAL A 43 -3.623 -5.945 -8.047 1.00 0.78 H new ATOM 0 HA VAL A 43 -4.470 -3.872 -6.095 1.00 0.76 H new ATOM 0 HB VAL A 43 -3.615 -5.908 -5.109 1.00 0.98 H new ATOM 0 HG11 VAL A 43 -1.141 -6.291 -5.077 1.00 1.28 H new ATOM 0 HG12 VAL A 43 -1.863 -6.564 -6.681 1.00 1.28 H new ATOM 0 HG13 VAL A 43 -0.964 -5.063 -6.353 1.00 1.28 H new ATOM 0 HG21 VAL A 43 -2.052 -4.746 -3.522 1.00 0.96 H new ATOM 0 HG22 VAL A 43 -1.963 -3.379 -4.658 1.00 0.96 H new ATOM 0 HG23 VAL A 43 -3.510 -3.789 -3.879 1.00 0.96 H new ATOM 647 N GLU A 44 -2.668 -2.265 -6.913 1.00 0.83 N ATOM 648 CA GLU A 44 -2.000 -1.144 -7.567 1.00 0.87 C ATOM 649 C GLU A 44 -1.604 -0.139 -6.481 1.00 0.76 C ATOM 650 O GLU A 44 -2.293 -0.052 -5.466 1.00 0.82 O ATOM 651 CB GLU A 44 -2.954 -0.535 -8.618 1.00 0.93 C ATOM 652 CG GLU A 44 -4.305 -0.081 -8.025 1.00 2.29 C ATOM 653 CD GLU A 44 -5.405 0.050 -9.076 1.00 2.22 C ATOM 654 OE1 GLU A 44 -6.005 -0.981 -9.468 1.00 3.04 O ATOM 655 OE2 GLU A 44 -5.661 1.187 -9.528 1.00 2.84 O ATOM 0 H GLU A 44 -3.063 -2.004 -6.010 1.00 0.83 H new ATOM 0 HA GLU A 44 -1.098 -1.456 -8.093 1.00 0.87 H new ATOM 0 HB2 GLU A 44 -2.467 0.318 -9.090 1.00 0.93 H new ATOM 0 HB3 GLU A 44 -3.138 -1.270 -9.401 1.00 0.93 H new ATOM 0 HG2 GLU A 44 -4.620 -0.796 -7.265 1.00 2.29 H new ATOM 0 HG3 GLU A 44 -4.172 0.878 -7.525 1.00 2.29 H new ATOM 662 N LEU A 45 -0.512 0.614 -6.651 1.00 0.90 N ATOM 663 CA LEU A 45 -0.174 1.692 -5.715 1.00 1.01 C ATOM 664 C LEU A 45 -0.563 3.066 -6.240 1.00 0.78 C ATOM 665 O LEU A 45 -0.398 3.406 -7.415 1.00 0.75 O ATOM 666 CB LEU A 45 1.266 1.655 -5.186 1.00 1.75 C ATOM 667 CG LEU A 45 2.392 2.074 -6.134 1.00 0.57 C ATOM 668 CD1 LEU A 45 3.688 2.280 -5.335 1.00 1.48 C ATOM 669 CD2 LEU A 45 2.645 1.036 -7.238 1.00 1.58 C ATOM 0 H LEU A 45 0.148 0.499 -7.420 1.00 0.90 H new ATOM 0 HA LEU A 45 -0.794 1.494 -4.840 1.00 1.01 H new ATOM 0 HB2 LEU A 45 1.315 2.296 -4.306 1.00 1.75 H new ATOM 0 HB3 LEU A 45 1.473 0.638 -4.851 1.00 1.75 H new ATOM 0 HG LEU A 45 2.082 3.002 -6.613 1.00 0.57 H new ATOM 0 HD11 LEU A 45 4.489 2.578 -6.011 1.00 1.48 H new ATOM 0 HD12 LEU A 45 3.535 3.059 -4.588 1.00 1.48 H new ATOM 0 HD13 LEU A 45 3.961 1.349 -4.838 1.00 1.48 H new ATOM 0 HD21 LEU A 45 3.453 1.381 -7.883 1.00 1.58 H new ATOM 0 HD22 LEU A 45 2.923 0.084 -6.786 1.00 1.58 H new ATOM 0 HD23 LEU A 45 1.739 0.906 -7.829 1.00 1.58 H new ATOM 681 N HIS A 46 -1.069 3.860 -5.312 1.00 0.78 N ATOM 682 CA HIS A 46 -1.505 5.228 -5.488 1.00 0.72 C ATOM 683 C HIS A 46 -0.719 6.187 -4.591 1.00 0.74 C ATOM 684 O HIS A 46 -0.320 5.842 -3.480 1.00 0.88 O ATOM 685 CB HIS A 46 -2.995 5.316 -5.127 1.00 0.72 C ATOM 686 CG HIS A 46 -3.991 4.617 -6.012 1.00 0.69 C ATOM 687 ND1 HIS A 46 -5.330 4.497 -5.691 1.00 0.69 N ATOM 688 CD2 HIS A 46 -3.784 3.948 -7.188 1.00 0.71 C ATOM 689 CE1 HIS A 46 -5.911 3.786 -6.663 1.00 0.74 C ATOM 690 NE2 HIS A 46 -5.000 3.432 -7.591 1.00 0.76 N ATOM 0 H HIS A 46 -1.193 3.541 -4.351 1.00 0.78 H new ATOM 0 HA HIS A 46 -1.334 5.516 -6.525 1.00 0.72 H new ATOM 0 HB2 HIS A 46 -3.115 4.923 -4.118 1.00 0.72 H new ATOM 0 HB3 HIS A 46 -3.266 6.371 -5.092 1.00 0.72 H new ATOM 0 HD2 HIS A 46 -2.842 3.843 -7.706 1.00 0.71 H new ATOM 0 HE1 HIS A 46 -6.960 3.532 -6.699 1.00 0.74 H new ATOM 0 HE2 HIS A 46 -5.176 2.885 -8.434 1.00 0.76 H new ATOM 698 N GLU A 47 -0.574 7.407 -5.087 1.00 0.63 N ATOM 699 CA GLU A 47 -0.196 8.587 -4.323 1.00 0.68 C ATOM 700 C GLU A 47 -1.430 9.256 -3.701 1.00 0.62 C ATOM 701 O GLU A 47 -2.557 9.030 -4.161 1.00 0.76 O ATOM 702 CB GLU A 47 0.587 9.556 -5.224 1.00 0.98 C ATOM 703 CG GLU A 47 -0.252 10.151 -6.368 1.00 1.23 C ATOM 704 CD GLU A 47 0.441 11.273 -7.145 1.00 1.54 C ATOM 705 OE1 GLU A 47 0.875 12.238 -6.478 1.00 2.03 O ATOM 706 OE2 GLU A 47 0.399 11.217 -8.397 1.00 2.67 O ATOM 0 H GLU A 47 -0.723 7.610 -6.075 1.00 0.63 H new ATOM 0 HA GLU A 47 0.451 8.289 -3.498 1.00 0.68 H new ATOM 0 HB2 GLU A 47 0.981 10.369 -4.613 1.00 0.98 H new ATOM 0 HB3 GLU A 47 1.444 9.032 -5.648 1.00 0.98 H new ATOM 0 HG2 GLU A 47 -0.514 9.353 -7.063 1.00 1.23 H new ATOM 0 HG3 GLU A 47 -1.186 10.534 -5.956 1.00 1.23 H new ATOM 713 N THR A 48 -1.214 10.113 -2.698 1.00 0.59 N ATOM 714 CA THR A 48 -2.218 11.034 -2.144 1.00 0.53 C ATOM 715 C THR A 48 -1.568 12.421 -2.123 1.00 0.64 C ATOM 716 O THR A 48 -0.464 12.546 -1.601 1.00 0.74 O ATOM 717 CB THR A 48 -2.537 10.628 -0.702 1.00 0.66 C ATOM 718 OG1 THR A 48 -2.929 9.277 -0.577 1.00 1.00 O ATOM 719 CG2 THR A 48 -3.650 11.494 -0.107 1.00 0.65 C ATOM 0 H THR A 48 -0.309 10.189 -2.234 1.00 0.59 H new ATOM 0 HA THR A 48 -3.134 11.020 -2.734 1.00 0.53 H new ATOM 0 HB THR A 48 -1.604 10.775 -0.158 1.00 0.66 H new ATOM 0 HG1 THR A 48 -2.950 9.029 0.371 1.00 1.00 H new ATOM 0 HG21 THR A 48 -3.849 11.177 0.917 1.00 0.65 H new ATOM 0 HG22 THR A 48 -3.339 12.539 -0.110 1.00 0.65 H new ATOM 0 HG23 THR A 48 -4.555 11.384 -0.704 1.00 0.65 H new ATOM 727 N PHE A 49 -2.222 13.465 -2.634 1.00 0.73 N ATOM 728 CA PHE A 49 -1.620 14.801 -2.761 1.00 0.85 C ATOM 729 C PHE A 49 -2.541 15.943 -2.318 1.00 0.81 C ATOM 730 O PHE A 49 -3.749 15.783 -2.149 1.00 0.73 O ATOM 731 CB PHE A 49 -1.142 15.012 -4.209 1.00 0.98 C ATOM 732 CG PHE A 49 -2.218 14.868 -5.270 1.00 0.93 C ATOM 733 CD1 PHE A 49 -3.135 15.910 -5.501 1.00 2.13 C ATOM 734 CD2 PHE A 49 -2.299 13.692 -6.035 1.00 1.98 C ATOM 735 CE1 PHE A 49 -4.123 15.781 -6.491 1.00 2.12 C ATOM 736 CE2 PHE A 49 -3.282 13.567 -7.032 1.00 2.07 C ATOM 737 CZ PHE A 49 -4.190 14.613 -7.270 1.00 1.10 C ATOM 0 H PHE A 49 -3.183 13.413 -2.972 1.00 0.73 H new ATOM 0 HA PHE A 49 -0.772 14.833 -2.076 1.00 0.85 H new ATOM 0 HB2 PHE A 49 -0.705 16.007 -4.290 1.00 0.98 H new ATOM 0 HB3 PHE A 49 -0.347 14.297 -4.421 1.00 0.98 H new ATOM 0 HD1 PHE A 49 -3.079 16.814 -4.913 1.00 2.13 H new ATOM 0 HD2 PHE A 49 -1.605 12.884 -5.857 1.00 1.98 H new ATOM 0 HE1 PHE A 49 -4.832 16.580 -6.654 1.00 2.12 H new ATOM 0 HE2 PHE A 49 -3.340 12.662 -7.618 1.00 2.07 H new ATOM 0 HZ PHE A 49 -4.935 14.520 -8.047 1.00 1.10 H new ATOM 747 N MET A 50 -1.957 17.138 -2.190 1.00 0.92 N ATOM 748 CA MET A 50 -2.654 18.419 -2.083 1.00 0.98 C ATOM 749 C MET A 50 -2.646 19.137 -3.444 1.00 1.00 C ATOM 750 O MET A 50 -1.697 19.008 -4.213 1.00 1.08 O ATOM 751 CB MET A 50 -1.982 19.254 -0.983 1.00 1.16 C ATOM 752 CG MET A 50 -2.729 20.572 -0.804 1.00 2.47 C ATOM 753 SD MET A 50 -2.222 21.562 0.626 1.00 2.76 S ATOM 754 CE MET A 50 -3.607 21.214 1.741 1.00 3.84 C ATOM 0 H MET A 50 -0.943 17.241 -2.157 1.00 0.92 H new ATOM 0 HA MET A 50 -3.698 18.267 -1.809 1.00 0.98 H new ATOM 0 HB2 MET A 50 -1.976 18.699 -0.045 1.00 1.16 H new ATOM 0 HB3 MET A 50 -0.942 19.448 -1.245 1.00 1.16 H new ATOM 0 HG2 MET A 50 -2.596 21.171 -1.705 1.00 2.47 H new ATOM 0 HG3 MET A 50 -3.794 20.358 -0.717 1.00 2.47 H new ATOM 0 HE1 MET A 50 -3.461 21.747 2.680 1.00 3.84 H new ATOM 0 HE2 MET A 50 -4.538 21.543 1.279 1.00 3.84 H new ATOM 0 HE3 MET A 50 -3.657 20.143 1.936 1.00 3.84 H new ATOM 764 N ARG A 51 -3.712 19.880 -3.758 1.00 1.02 N ATOM 765 CA ARG A 51 -3.947 20.489 -5.075 1.00 1.14 C ATOM 766 C ARG A 51 -4.828 21.733 -4.940 1.00 1.31 C ATOM 767 O ARG A 51 -5.639 21.824 -4.024 1.00 1.26 O ATOM 768 CB ARG A 51 -4.605 19.449 -6.006 1.00 1.08 C ATOM 769 CG ARG A 51 -3.964 19.352 -7.403 1.00 1.53 C ATOM 770 CD ARG A 51 -4.700 20.234 -8.408 1.00 1.97 C ATOM 771 NE ARG A 51 -4.072 20.203 -9.736 1.00 3.00 N ATOM 772 CZ ARG A 51 -4.317 21.065 -10.718 1.00 3.77 C ATOM 773 NH1 ARG A 51 -5.148 22.082 -10.562 1.00 3.99 N ATOM 774 NH2 ARG A 51 -3.715 20.896 -11.879 1.00 4.87 N ATOM 0 H ARG A 51 -4.455 20.081 -3.088 1.00 1.02 H new ATOM 0 HA ARG A 51 -2.995 20.800 -5.505 1.00 1.14 H new ATOM 0 HB2 ARG A 51 -4.557 18.470 -5.529 1.00 1.08 H new ATOM 0 HB3 ARG A 51 -5.660 19.697 -6.120 1.00 1.08 H new ATOM 0 HG2 ARG A 51 -2.918 19.653 -7.348 1.00 1.53 H new ATOM 0 HG3 ARG A 51 -3.980 18.316 -7.743 1.00 1.53 H new ATOM 0 HD2 ARG A 51 -5.735 19.903 -8.490 1.00 1.97 H new ATOM 0 HD3 ARG A 51 -4.721 21.260 -8.041 1.00 1.97 H new ATOM 0 HE ARG A 51 -3.395 19.462 -9.919 1.00 3.00 H new ATOM 0 HH11 ARG A 51 -5.621 22.222 -9.669 1.00 3.99 H new ATOM 0 HH12 ARG A 51 -5.316 22.727 -11.334 1.00 3.99 H new ATOM 0 HH21 ARG A 51 -3.074 20.114 -12.012 1.00 4.87 H new ATOM 0 HH22 ARG A 51 -3.891 21.547 -12.644 1.00 4.87 H new ATOM 788 N GLU A 52 -4.714 22.678 -5.865 1.00 1.57 N ATOM 789 CA GLU A 52 -5.621 23.797 -5.998 1.00 1.69 C ATOM 790 C GLU A 52 -6.699 23.473 -7.038 1.00 1.68 C ATOM 791 O GLU A 52 -6.381 22.946 -8.107 1.00 1.91 O ATOM 792 CB GLU A 52 -4.778 24.977 -6.474 1.00 2.21 C ATOM 793 CG GLU A 52 -5.564 26.272 -6.423 1.00 2.63 C ATOM 794 CD GLU A 52 -5.452 26.928 -5.058 1.00 2.67 C ATOM 795 OE1 GLU A 52 -5.926 26.345 -4.060 1.00 2.50 O ATOM 796 OE2 GLU A 52 -4.919 28.050 -4.965 1.00 3.61 O ATOM 0 H GLU A 52 -3.966 22.682 -6.559 1.00 1.57 H new ATOM 0 HA GLU A 52 -6.120 24.019 -5.055 1.00 1.69 H new ATOM 0 HB2 GLU A 52 -3.888 25.065 -5.852 1.00 2.21 H new ATOM 0 HB3 GLU A 52 -4.438 24.796 -7.494 1.00 2.21 H new ATOM 0 HG2 GLU A 52 -5.196 26.955 -7.189 1.00 2.63 H new ATOM 0 HG3 GLU A 52 -6.612 26.074 -6.650 1.00 2.63 H new ATOM 803 N VAL A 53 -7.944 23.834 -6.735 1.00 1.56 N ATOM 804 CA VAL A 53 -9.063 23.921 -7.681 1.00 1.74 C ATOM 805 C VAL A 53 -9.722 25.289 -7.460 1.00 1.72 C ATOM 806 O VAL A 53 -10.137 25.593 -6.343 1.00 1.76 O ATOM 807 CB VAL A 53 -10.047 22.746 -7.454 1.00 1.73 C ATOM 808 CG1 VAL A 53 -11.382 22.916 -8.191 1.00 2.62 C ATOM 809 CG2 VAL A 53 -9.407 21.416 -7.893 1.00 2.23 C ATOM 0 H VAL A 53 -8.216 24.085 -5.785 1.00 1.56 H new ATOM 0 HA VAL A 53 -8.729 23.839 -8.715 1.00 1.74 H new ATOM 0 HB VAL A 53 -10.259 22.740 -6.385 1.00 1.73 H new ATOM 0 HG11 VAL A 53 -12.022 22.057 -7.987 1.00 2.62 H new ATOM 0 HG12 VAL A 53 -11.874 23.825 -7.847 1.00 2.62 H new ATOM 0 HG13 VAL A 53 -11.199 22.986 -9.263 1.00 2.62 H new ATOM 0 HG21 VAL A 53 -10.111 20.601 -7.727 1.00 2.23 H new ATOM 0 HG22 VAL A 53 -9.153 21.466 -8.952 1.00 2.23 H new ATOM 0 HG23 VAL A 53 -8.502 21.238 -7.311 1.00 2.23 H new ATOM 819 N GLU A 54 -9.750 26.145 -8.488 1.00 2.01 N ATOM 820 CA GLU A 54 -10.373 27.483 -8.481 1.00 2.17 C ATOM 821 C GLU A 54 -9.803 28.495 -7.460 1.00 2.21 C ATOM 822 O GLU A 54 -10.485 29.457 -7.097 1.00 2.38 O ATOM 823 CB GLU A 54 -11.905 27.340 -8.335 1.00 2.23 C ATOM 824 CG GLU A 54 -12.561 26.432 -9.378 1.00 2.66 C ATOM 825 CD GLU A 54 -12.063 26.805 -10.764 1.00 4.18 C ATOM 826 OE1 GLU A 54 -12.593 27.800 -11.295 1.00 5.27 O ATOM 827 OE2 GLU A 54 -11.084 26.156 -11.199 1.00 5.46 O ATOM 0 H GLU A 54 -9.323 25.920 -9.386 1.00 2.01 H new ATOM 0 HA GLU A 54 -10.116 27.925 -9.443 1.00 2.17 H new ATOM 0 HB2 GLU A 54 -12.128 26.951 -7.342 1.00 2.23 H new ATOM 0 HB3 GLU A 54 -12.357 28.330 -8.398 1.00 2.23 H new ATOM 0 HG2 GLU A 54 -12.327 25.389 -9.165 1.00 2.66 H new ATOM 0 HG3 GLU A 54 -13.645 26.532 -9.331 1.00 2.66 H new ATOM 834 N GLY A 55 -8.598 28.266 -6.922 1.00 2.12 N ATOM 835 CA GLY A 55 -8.018 29.049 -5.809 1.00 2.21 C ATOM 836 C GLY A 55 -8.300 28.471 -4.413 1.00 1.97 C ATOM 837 O GLY A 55 -7.920 29.055 -3.397 1.00 2.15 O ATOM 0 H GLY A 55 -7.984 27.520 -7.249 1.00 2.12 H new ATOM 0 HA2 GLY A 55 -6.939 29.115 -5.951 1.00 2.21 H new ATOM 0 HA3 GLY A 55 -8.408 30.066 -5.854 1.00 2.21 H new ATOM 841 N LYS A 56 -8.974 27.320 -4.343 1.00 1.70 N ATOM 842 CA LYS A 56 -9.283 26.569 -3.132 1.00 1.53 C ATOM 843 C LYS A 56 -8.451 25.282 -3.091 1.00 1.40 C ATOM 844 O LYS A 56 -8.462 24.450 -4.003 1.00 1.27 O ATOM 845 CB LYS A 56 -10.792 26.269 -3.037 1.00 1.41 C ATOM 846 CG LYS A 56 -11.610 27.501 -2.605 1.00 1.57 C ATOM 847 CD LYS A 56 -12.682 27.944 -3.611 1.00 2.07 C ATOM 848 CE LYS A 56 -11.984 28.497 -4.853 1.00 3.06 C ATOM 849 NZ LYS A 56 -12.895 29.160 -5.816 1.00 3.75 N ATOM 0 H LYS A 56 -9.338 26.865 -5.180 1.00 1.70 H new ATOM 0 HA LYS A 56 -9.021 27.175 -2.265 1.00 1.53 H new ATOM 0 HB2 LYS A 56 -11.152 25.919 -4.005 1.00 1.41 H new ATOM 0 HB3 LYS A 56 -10.955 25.460 -2.325 1.00 1.41 H new ATOM 0 HG2 LYS A 56 -12.093 27.284 -1.652 1.00 1.57 H new ATOM 0 HG3 LYS A 56 -10.926 28.332 -2.434 1.00 1.57 H new ATOM 0 HD2 LYS A 56 -13.321 27.102 -3.879 1.00 2.07 H new ATOM 0 HD3 LYS A 56 -13.326 28.704 -3.168 1.00 2.07 H new ATOM 0 HE2 LYS A 56 -11.222 29.211 -4.540 1.00 3.06 H new ATOM 0 HE3 LYS A 56 -11.468 27.681 -5.360 1.00 3.06 H new ATOM 0 HZ1 LYS A 56 -12.343 29.537 -6.613 1.00 3.75 H new ATOM 0 HZ2 LYS A 56 -13.587 28.470 -6.170 1.00 3.75 H new ATOM 0 HZ3 LYS A 56 -13.395 29.939 -5.341 1.00 3.75 H new ATOM 863 N LYS A 57 -7.742 25.142 -1.980 1.00 1.54 N ATOM 864 CA LYS A 57 -6.859 24.021 -1.678 1.00 1.47 C ATOM 865 C LYS A 57 -7.702 22.791 -1.308 1.00 1.25 C ATOM 866 O LYS A 57 -8.455 22.827 -0.343 1.00 1.36 O ATOM 867 CB LYS A 57 -5.870 24.384 -0.551 1.00 1.74 C ATOM 868 CG LYS A 57 -4.959 25.587 -0.860 1.00 3.20 C ATOM 869 CD LYS A 57 -5.511 26.936 -0.357 1.00 3.53 C ATOM 870 CE LYS A 57 -4.773 28.122 -0.995 1.00 4.73 C ATOM 871 NZ LYS A 57 -5.285 28.417 -2.354 1.00 5.38 N ATOM 0 H LYS A 57 -7.766 25.835 -1.232 1.00 1.54 H new ATOM 0 HA LYS A 57 -6.266 23.786 -2.562 1.00 1.47 H new ATOM 0 HB2 LYS A 57 -6.436 24.597 0.356 1.00 1.74 H new ATOM 0 HB3 LYS A 57 -5.245 23.516 -0.341 1.00 1.74 H new ATOM 0 HG2 LYS A 57 -3.982 25.415 -0.409 1.00 3.20 H new ATOM 0 HG3 LYS A 57 -4.807 25.647 -1.938 1.00 3.20 H new ATOM 0 HD2 LYS A 57 -6.575 27.003 -0.586 1.00 3.53 H new ATOM 0 HD3 LYS A 57 -5.415 26.988 0.728 1.00 3.53 H new ATOM 0 HE2 LYS A 57 -4.886 29.003 -0.364 1.00 4.73 H new ATOM 0 HE3 LYS A 57 -3.707 27.902 -1.047 1.00 4.73 H new ATOM 0 HZ1 LYS A 57 -4.485 28.588 -2.997 1.00 5.38 H new ATOM 0 HZ2 LYS A 57 -5.840 27.608 -2.699 1.00 5.38 H new ATOM 0 HZ3 LYS A 57 -5.890 29.262 -2.321 1.00 5.38 H new ATOM 885 N VAL A 58 -7.566 21.726 -2.081 1.00 1.12 N ATOM 886 CA VAL A 58 -8.208 20.425 -1.925 1.00 0.95 C ATOM 887 C VAL A 58 -7.137 19.329 -1.821 1.00 0.84 C ATOM 888 O VAL A 58 -5.942 19.606 -1.949 1.00 0.92 O ATOM 889 CB VAL A 58 -9.151 20.154 -3.119 1.00 0.90 C ATOM 890 CG1 VAL A 58 -10.352 21.117 -3.114 1.00 2.19 C ATOM 891 CG2 VAL A 58 -8.449 20.214 -4.488 1.00 2.13 C ATOM 0 H VAL A 58 -6.957 21.748 -2.899 1.00 1.12 H new ATOM 0 HA VAL A 58 -8.802 20.422 -1.011 1.00 0.95 H new ATOM 0 HB VAL A 58 -9.499 19.130 -2.981 1.00 0.90 H new ATOM 0 HG11 VAL A 58 -10.996 20.900 -3.966 1.00 2.19 H new ATOM 0 HG12 VAL A 58 -10.917 20.989 -2.191 1.00 2.19 H new ATOM 0 HG13 VAL A 58 -9.995 22.145 -3.181 1.00 2.19 H new ATOM 0 HG21 VAL A 58 -9.173 20.014 -5.277 1.00 2.13 H new ATOM 0 HG22 VAL A 58 -8.019 21.205 -4.633 1.00 2.13 H new ATOM 0 HG23 VAL A 58 -7.657 19.466 -4.524 1.00 2.13 H new ATOM 901 N MET A 59 -7.559 18.079 -1.627 1.00 0.79 N ATOM 902 CA MET A 59 -6.707 16.889 -1.759 1.00 0.74 C ATOM 903 C MET A 59 -7.214 15.964 -2.869 1.00 0.73 C ATOM 904 O MET A 59 -8.370 16.047 -3.281 1.00 0.97 O ATOM 905 CB MET A 59 -6.582 16.149 -0.418 1.00 0.82 C ATOM 906 CG MET A 59 -5.671 16.921 0.542 1.00 0.95 C ATOM 907 SD MET A 59 -5.385 16.075 2.115 1.00 1.78 S ATOM 908 CE MET A 59 -4.173 17.208 2.840 1.00 2.77 C ATOM 0 H MET A 59 -8.521 17.857 -1.369 1.00 0.79 H new ATOM 0 HA MET A 59 -5.709 17.221 -2.045 1.00 0.74 H new ATOM 0 HB2 MET A 59 -7.569 16.026 0.029 1.00 0.82 H new ATOM 0 HB3 MET A 59 -6.180 15.149 -0.584 1.00 0.82 H new ATOM 0 HG2 MET A 59 -4.712 17.097 0.055 1.00 0.95 H new ATOM 0 HG3 MET A 59 -6.112 17.898 0.740 1.00 0.95 H new ATOM 0 HE1 MET A 59 -3.877 16.844 3.824 1.00 2.77 H new ATOM 0 HE2 MET A 59 -3.296 17.264 2.195 1.00 2.77 H new ATOM 0 HE3 MET A 59 -4.615 18.199 2.938 1.00 2.77 H new ATOM 918 N GLY A 60 -6.317 15.119 -3.375 1.00 0.61 N ATOM 919 CA GLY A 60 -6.535 14.191 -4.487 1.00 0.69 C ATOM 920 C GLY A 60 -5.646 12.954 -4.390 1.00 0.59 C ATOM 921 O GLY A 60 -4.931 12.765 -3.409 1.00 0.59 O ATOM 0 H GLY A 60 -5.369 15.059 -3.002 1.00 0.61 H new ATOM 0 HA2 GLY A 60 -7.581 13.884 -4.502 1.00 0.69 H new ATOM 0 HA3 GLY A 60 -6.340 14.703 -5.429 1.00 0.69 H new ATOM 925 N MET A 61 -5.737 12.076 -5.391 1.00 0.57 N ATOM 926 CA MET A 61 -5.117 10.751 -5.428 1.00 0.57 C ATOM 927 C MET A 61 -4.971 10.294 -6.893 1.00 0.64 C ATOM 928 O MET A 61 -5.834 10.564 -7.728 1.00 0.73 O ATOM 929 CB MET A 61 -6.019 9.827 -4.594 1.00 0.67 C ATOM 930 CG MET A 61 -5.660 8.342 -4.622 1.00 0.65 C ATOM 931 SD MET A 61 -6.992 7.125 -4.289 1.00 0.59 S ATOM 932 CE MET A 61 -8.042 7.951 -3.067 1.00 0.85 C ATOM 0 H MET A 61 -6.270 12.279 -6.237 1.00 0.57 H new ATOM 0 HA MET A 61 -4.111 10.742 -5.008 1.00 0.57 H new ATOM 0 HB2 MET A 61 -5.997 10.167 -3.559 1.00 0.67 H new ATOM 0 HB3 MET A 61 -7.045 9.940 -4.944 1.00 0.67 H new ATOM 0 HG2 MET A 61 -5.242 8.118 -5.603 1.00 0.65 H new ATOM 0 HG3 MET A 61 -4.867 8.177 -3.892 1.00 0.65 H new ATOM 0 HE1 MET A 61 -8.801 7.255 -2.709 1.00 0.85 H new ATOM 0 HE2 MET A 61 -7.431 8.284 -2.228 1.00 0.85 H new ATOM 0 HE3 MET A 61 -8.528 8.812 -3.527 1.00 0.85 H new ATOM 942 N ARG A 62 -3.870 9.607 -7.203 1.00 0.65 N ATOM 943 CA ARG A 62 -3.440 9.160 -8.546 1.00 0.69 C ATOM 944 C ARG A 62 -2.687 7.818 -8.427 1.00 0.73 C ATOM 945 O ARG A 62 -2.222 7.522 -7.331 1.00 0.83 O ATOM 946 CB ARG A 62 -2.487 10.232 -9.114 1.00 0.70 C ATOM 947 CG ARG A 62 -3.117 11.333 -9.973 1.00 1.60 C ATOM 948 CD ARG A 62 -3.091 11.034 -11.473 1.00 2.60 C ATOM 949 NE ARG A 62 -4.296 10.308 -11.914 1.00 4.75 N ATOM 950 CZ ARG A 62 -4.520 9.855 -13.142 1.00 6.21 C ATOM 951 NH1 ARG A 62 -3.584 9.872 -14.073 1.00 5.88 N ATOM 952 NH2 ARG A 62 -5.709 9.382 -13.455 1.00 8.20 N ATOM 0 H ARG A 62 -3.206 9.326 -6.482 1.00 0.65 H new ATOM 0 HA ARG A 62 -4.302 9.025 -9.199 1.00 0.69 H new ATOM 0 HB2 ARG A 62 -1.973 10.706 -8.278 1.00 0.70 H new ATOM 0 HB3 ARG A 62 -1.727 9.728 -9.711 1.00 0.70 H new ATOM 0 HG2 ARG A 62 -4.150 11.480 -9.659 1.00 1.60 H new ATOM 0 HG3 ARG A 62 -2.592 12.270 -9.789 1.00 1.60 H new ATOM 0 HD2 ARG A 62 -3.008 11.969 -12.027 1.00 2.60 H new ATOM 0 HD3 ARG A 62 -2.206 10.444 -11.709 1.00 2.60 H new ATOM 0 HE ARG A 62 -5.020 10.139 -11.216 1.00 4.75 H new ATOM 0 HH11 ARG A 62 -2.657 10.240 -13.858 1.00 5.88 H new ATOM 0 HH12 ARG A 62 -3.787 9.517 -15.007 1.00 5.88 H new ATOM 0 HH21 ARG A 62 -6.451 9.365 -12.756 1.00 8.20 H new ATOM 0 HH22 ARG A 62 -5.887 9.033 -14.397 1.00 8.20 H new ATOM 966 N PRO A 63 -2.550 6.990 -9.483 1.00 0.68 N ATOM 967 CA PRO A 63 -1.726 5.782 -9.450 1.00 0.74 C ATOM 968 C PRO A 63 -0.256 6.100 -9.756 1.00 0.74 C ATOM 969 O PRO A 63 0.000 6.980 -10.578 1.00 0.85 O ATOM 970 CB PRO A 63 -2.341 4.860 -10.496 1.00 0.85 C ATOM 971 CG PRO A 63 -2.834 5.842 -11.562 1.00 0.82 C ATOM 972 CD PRO A 63 -3.250 7.080 -10.755 1.00 0.68 C ATOM 0 HA PRO A 63 -1.716 5.317 -8.464 1.00 0.74 H new ATOM 0 HB2 PRO A 63 -1.609 4.159 -10.898 1.00 0.85 H new ATOM 0 HB3 PRO A 63 -3.157 4.267 -10.083 1.00 0.85 H new ATOM 0 HG2 PRO A 63 -2.050 6.078 -12.281 1.00 0.82 H new ATOM 0 HG3 PRO A 63 -3.672 5.432 -12.126 1.00 0.82 H new ATOM 0 HD2 PRO A 63 -2.983 7.996 -11.282 1.00 0.68 H new ATOM 0 HD3 PRO A 63 -4.329 7.102 -10.605 1.00 0.68 H new ATOM 980 N VAL A 64 0.694 5.394 -9.122 1.00 0.73 N ATOM 981 CA VAL A 64 2.149 5.663 -9.263 1.00 0.72 C ATOM 982 C VAL A 64 2.948 4.369 -9.497 1.00 0.74 C ATOM 983 O VAL A 64 2.393 3.293 -9.279 1.00 0.73 O ATOM 984 CB VAL A 64 2.692 6.475 -8.061 1.00 0.78 C ATOM 985 CG1 VAL A 64 2.210 7.923 -8.151 1.00 0.91 C ATOM 986 CG2 VAL A 64 2.374 5.872 -6.687 1.00 0.95 C ATOM 0 H VAL A 64 0.483 4.618 -8.495 1.00 0.73 H new ATOM 0 HA VAL A 64 2.284 6.279 -10.152 1.00 0.72 H new ATOM 0 HB VAL A 64 3.779 6.438 -8.137 1.00 0.78 H new ATOM 0 HG11 VAL A 64 2.596 8.488 -7.303 1.00 0.91 H new ATOM 0 HG12 VAL A 64 2.570 8.369 -9.078 1.00 0.91 H new ATOM 0 HG13 VAL A 64 1.120 7.945 -8.137 1.00 0.91 H new ATOM 0 HG21 VAL A 64 2.792 6.506 -5.906 1.00 0.95 H new ATOM 0 HG22 VAL A 64 1.293 5.805 -6.560 1.00 0.95 H new ATOM 0 HG23 VAL A 64 2.810 4.875 -6.617 1.00 0.95 H new ATOM 996 N PRO A 65 4.207 4.420 -9.997 1.00 0.81 N ATOM 997 CA PRO A 65 4.867 3.249 -10.571 1.00 0.86 C ATOM 998 C PRO A 65 5.661 2.417 -9.560 1.00 0.86 C ATOM 999 O PRO A 65 5.834 1.228 -9.809 1.00 0.90 O ATOM 1000 CB PRO A 65 5.766 3.811 -11.673 1.00 0.87 C ATOM 1001 CG PRO A 65 6.208 5.158 -11.108 1.00 0.81 C ATOM 1002 CD PRO A 65 4.996 5.614 -10.296 1.00 0.81 C ATOM 0 HA PRO A 65 4.127 2.542 -10.947 1.00 0.86 H new ATOM 0 HB2 PRO A 65 6.616 3.159 -11.871 1.00 0.87 H new ATOM 0 HB3 PRO A 65 5.227 3.926 -12.613 1.00 0.87 H new ATOM 0 HG2 PRO A 65 7.096 5.060 -10.484 1.00 0.81 H new ATOM 0 HG3 PRO A 65 6.451 5.866 -11.900 1.00 0.81 H new ATOM 0 HD2 PRO A 65 5.311 6.108 -9.377 1.00 0.81 H new ATOM 0 HD3 PRO A 65 4.404 6.336 -10.859 1.00 0.81 H new ATOM 1010 N PHE A 66 6.126 3.009 -8.448 1.00 0.83 N ATOM 1011 CA PHE A 66 6.945 2.342 -7.416 1.00 0.79 C ATOM 1012 C PHE A 66 7.303 3.270 -6.241 1.00 0.77 C ATOM 1013 O PHE A 66 7.222 4.491 -6.359 1.00 0.78 O ATOM 1014 CB PHE A 66 8.245 1.754 -8.007 1.00 0.76 C ATOM 1015 CG PHE A 66 9.224 2.788 -8.512 1.00 0.76 C ATOM 1016 CD1 PHE A 66 10.163 3.342 -7.628 1.00 2.13 C ATOM 1017 CD2 PHE A 66 9.170 3.225 -9.846 1.00 1.59 C ATOM 1018 CE1 PHE A 66 11.027 4.358 -8.055 1.00 2.12 C ATOM 1019 CE2 PHE A 66 10.057 4.225 -10.289 1.00 1.61 C ATOM 1020 CZ PHE A 66 10.982 4.796 -9.391 1.00 0.77 C ATOM 0 H PHE A 66 5.940 3.989 -8.234 1.00 0.83 H new ATOM 0 HA PHE A 66 6.321 1.534 -7.034 1.00 0.79 H new ATOM 0 HB2 PHE A 66 8.735 1.149 -7.244 1.00 0.76 H new ATOM 0 HB3 PHE A 66 7.987 1.085 -8.828 1.00 0.76 H new ATOM 0 HD1 PHE A 66 10.220 2.982 -6.611 1.00 2.13 H new ATOM 0 HD2 PHE A 66 8.451 2.796 -10.529 1.00 1.59 H new ATOM 0 HE1 PHE A 66 11.725 4.803 -7.362 1.00 2.12 H new ATOM 0 HE2 PHE A 66 10.029 4.555 -11.317 1.00 1.61 H new ATOM 0 HZ PHE A 66 11.656 5.569 -9.729 1.00 0.77 H new ATOM 1030 N LEU A 67 7.793 2.675 -5.145 1.00 0.74 N ATOM 1031 CA LEU A 67 8.475 3.349 -4.030 1.00 0.76 C ATOM 1032 C LEU A 67 9.940 2.906 -3.939 1.00 0.77 C ATOM 1033 O LEU A 67 10.258 1.779 -4.309 1.00 0.79 O ATOM 1034 CB LEU A 67 7.791 3.010 -2.692 1.00 0.78 C ATOM 1035 CG LEU A 67 6.274 3.254 -2.584 1.00 0.82 C ATOM 1036 CD1 LEU A 67 5.862 3.075 -1.118 1.00 0.87 C ATOM 1037 CD2 LEU A 67 5.853 4.653 -3.034 1.00 0.86 C ATOM 0 H LEU A 67 7.722 1.667 -5.004 1.00 0.74 H new ATOM 0 HA LEU A 67 8.422 4.421 -4.218 1.00 0.76 H new ATOM 0 HB2 LEU A 67 7.978 1.958 -2.476 1.00 0.78 H new ATOM 0 HB3 LEU A 67 8.281 3.588 -1.908 1.00 0.78 H new ATOM 0 HG LEU A 67 5.782 2.540 -3.244 1.00 0.82 H new ATOM 0 HD11 LEU A 67 4.790 3.243 -1.018 1.00 0.87 H new ATOM 0 HD12 LEU A 67 6.102 2.062 -0.794 1.00 0.87 H new ATOM 0 HD13 LEU A 67 6.401 3.792 -0.498 1.00 0.87 H new ATOM 0 HD21 LEU A 67 4.773 4.758 -2.932 1.00 0.86 H new ATOM 0 HD22 LEU A 67 6.350 5.399 -2.415 1.00 0.86 H new ATOM 0 HD23 LEU A 67 6.135 4.800 -4.076 1.00 0.86 H new ATOM 1049 N GLU A 68 10.809 3.761 -3.397 1.00 0.78 N ATOM 1050 CA GLU A 68 12.240 3.502 -3.182 1.00 0.81 C ATOM 1051 C GLU A 68 12.560 3.615 -1.688 1.00 0.86 C ATOM 1052 O GLU A 68 12.035 4.511 -1.028 1.00 0.91 O ATOM 1053 CB GLU A 68 13.062 4.565 -3.933 1.00 0.92 C ATOM 1054 CG GLU A 68 14.585 4.359 -3.846 1.00 0.91 C ATOM 1055 CD GLU A 68 15.087 3.407 -4.938 1.00 0.87 C ATOM 1056 OE1 GLU A 68 14.412 2.396 -5.226 1.00 1.89 O ATOM 1057 OE2 GLU A 68 16.097 3.724 -5.602 1.00 1.63 O ATOM 0 H GLU A 68 10.528 4.690 -3.082 1.00 0.78 H new ATOM 0 HA GLU A 68 12.485 2.503 -3.544 1.00 0.81 H new ATOM 0 HB2 GLU A 68 12.765 4.564 -4.982 1.00 0.92 H new ATOM 0 HB3 GLU A 68 12.816 5.549 -3.533 1.00 0.92 H new ATOM 0 HG2 GLU A 68 15.089 5.321 -3.940 1.00 0.91 H new ATOM 0 HG3 GLU A 68 14.844 3.959 -2.866 1.00 0.91 H new ATOM 1064 N VAL A 69 13.458 2.766 -1.173 1.00 0.89 N ATOM 1065 CA VAL A 69 13.981 2.872 0.195 1.00 0.95 C ATOM 1066 C VAL A 69 15.501 2.601 0.260 1.00 0.98 C ATOM 1067 O VAL A 69 15.972 1.703 -0.435 1.00 0.98 O ATOM 1068 CB VAL A 69 13.209 1.918 1.154 1.00 0.97 C ATOM 1069 CG1 VAL A 69 13.613 2.084 2.628 1.00 1.05 C ATOM 1070 CG2 VAL A 69 11.680 2.117 1.092 1.00 0.99 C ATOM 0 H VAL A 69 13.845 1.981 -1.697 1.00 0.89 H new ATOM 0 HA VAL A 69 13.824 3.900 0.522 1.00 0.95 H new ATOM 0 HB VAL A 69 13.481 0.924 0.800 1.00 0.97 H new ATOM 0 HG11 VAL A 69 13.039 1.391 3.243 1.00 1.05 H new ATOM 0 HG12 VAL A 69 14.676 1.873 2.740 1.00 1.05 H new ATOM 0 HG13 VAL A 69 13.411 3.106 2.948 1.00 1.05 H new ATOM 0 HG21 VAL A 69 11.195 1.426 1.781 1.00 0.99 H new ATOM 0 HG22 VAL A 69 11.435 3.141 1.373 1.00 0.99 H new ATOM 0 HG23 VAL A 69 11.329 1.925 0.078 1.00 0.99 H new ATOM 1080 N PRO A 70 16.281 3.366 1.059 1.00 1.05 N ATOM 1081 CA PRO A 70 17.723 3.172 1.240 1.00 1.11 C ATOM 1082 C PRO A 70 18.056 2.119 2.319 1.00 1.24 C ATOM 1083 O PRO A 70 17.255 1.907 3.233 1.00 1.44 O ATOM 1084 CB PRO A 70 18.257 4.551 1.641 1.00 1.11 C ATOM 1085 CG PRO A 70 17.101 5.139 2.447 1.00 1.11 C ATOM 1086 CD PRO A 70 15.872 4.607 1.714 1.00 1.09 C ATOM 0 HA PRO A 70 18.180 2.790 0.327 1.00 1.11 H new ATOM 0 HB2 PRO A 70 19.167 4.475 2.236 1.00 1.11 H new ATOM 0 HB3 PRO A 70 18.495 5.162 0.770 1.00 1.11 H new ATOM 0 HG2 PRO A 70 17.125 4.812 3.486 1.00 1.11 H new ATOM 0 HG3 PRO A 70 17.127 6.229 2.455 1.00 1.11 H new ATOM 0 HD2 PRO A 70 15.054 4.426 2.411 1.00 1.09 H new ATOM 0 HD3 PRO A 70 15.513 5.331 0.983 1.00 1.09 H new ATOM 1094 N PRO A 71 19.249 1.489 2.265 1.00 1.18 N ATOM 1095 CA PRO A 71 19.626 0.378 3.136 1.00 1.15 C ATOM 1096 C PRO A 71 19.721 0.754 4.616 1.00 1.21 C ATOM 1097 O PRO A 71 20.128 1.856 4.977 1.00 1.27 O ATOM 1098 CB PRO A 71 20.946 -0.165 2.588 1.00 1.06 C ATOM 1099 CG PRO A 71 21.545 1.026 1.846 1.00 1.10 C ATOM 1100 CD PRO A 71 20.311 1.737 1.300 1.00 1.13 C ATOM 0 HA PRO A 71 18.846 -0.383 3.121 1.00 1.15 H new ATOM 0 HB2 PRO A 71 21.601 -0.509 3.389 1.00 1.06 H new ATOM 0 HB3 PRO A 71 20.785 -1.012 1.922 1.00 1.06 H new ATOM 0 HG2 PRO A 71 22.121 1.669 2.511 1.00 1.10 H new ATOM 0 HG3 PRO A 71 22.216 0.710 1.048 1.00 1.10 H new ATOM 0 HD2 PRO A 71 20.494 2.806 1.186 1.00 1.13 H new ATOM 0 HD3 PRO A 71 20.042 1.353 0.316 1.00 1.13 H new ATOM 1108 N LYS A 72 19.314 -0.193 5.470 1.00 1.23 N ATOM 1109 CA LYS A 72 19.278 -0.139 6.942 1.00 1.33 C ATOM 1110 C LYS A 72 18.239 0.834 7.526 1.00 1.51 C ATOM 1111 O LYS A 72 17.953 0.772 8.720 1.00 1.60 O ATOM 1112 CB LYS A 72 20.688 0.100 7.522 1.00 1.37 C ATOM 1113 CG LYS A 72 21.775 -0.815 6.937 1.00 1.38 C ATOM 1114 CD LYS A 72 21.486 -2.315 7.109 1.00 1.26 C ATOM 1115 CE LYS A 72 22.537 -3.104 6.330 1.00 1.23 C ATOM 1116 NZ LYS A 72 22.360 -4.568 6.449 1.00 1.75 N ATOM 0 H LYS A 72 18.973 -1.090 5.125 1.00 1.23 H new ATOM 0 HA LYS A 72 18.934 -1.123 7.261 1.00 1.33 H new ATOM 0 HB2 LYS A 72 20.970 1.138 7.346 1.00 1.37 H new ATOM 0 HB3 LYS A 72 20.653 -0.042 8.602 1.00 1.37 H new ATOM 0 HG2 LYS A 72 21.887 -0.596 5.875 1.00 1.38 H new ATOM 0 HG3 LYS A 72 22.727 -0.582 7.413 1.00 1.38 H new ATOM 0 HD2 LYS A 72 21.513 -2.587 8.164 1.00 1.26 H new ATOM 0 HD3 LYS A 72 20.487 -2.552 6.744 1.00 1.26 H new ATOM 0 HE2 LYS A 72 22.491 -2.821 5.278 1.00 1.23 H new ATOM 0 HE3 LYS A 72 23.529 -2.832 6.690 1.00 1.23 H new ATOM 0 HZ1 LYS A 72 22.543 -5.016 5.528 1.00 1.75 H new ATOM 0 HZ2 LYS A 72 23.026 -4.942 7.155 1.00 1.75 H new ATOM 0 HZ3 LYS A 72 21.386 -4.777 6.748 1.00 1.75 H new ATOM 1130 N GLY A 73 17.641 1.692 6.695 1.00 1.66 N ATOM 1131 CA GLY A 73 16.526 2.570 7.060 1.00 1.83 C ATOM 1132 C GLY A 73 15.175 1.851 7.039 1.00 1.69 C ATOM 1133 O GLY A 73 15.041 0.746 6.509 1.00 1.55 O ATOM 0 H GLY A 73 17.927 1.798 5.722 1.00 1.66 H new ATOM 0 HA2 GLY A 73 16.701 2.977 8.056 1.00 1.83 H new ATOM 0 HA3 GLY A 73 16.494 3.415 6.372 1.00 1.83 H new ATOM 1137 N ARG A 74 14.155 2.521 7.589 1.00 1.83 N ATOM 1138 CA ARG A 74 12.741 2.200 7.355 1.00 1.63 C ATOM 1139 C ARG A 74 11.972 3.444 6.916 1.00 2.11 C ATOM 1140 O ARG A 74 12.291 4.559 7.322 1.00 2.59 O ATOM 1141 CB ARG A 74 12.076 1.476 8.553 1.00 1.61 C ATOM 1142 CG ARG A 74 11.848 2.280 9.853 1.00 2.09 C ATOM 1143 CD ARG A 74 10.599 3.166 9.943 1.00 2.36 C ATOM 1144 NE ARG A 74 9.321 2.429 10.072 1.00 2.84 N ATOM 1145 CZ ARG A 74 8.125 2.995 10.257 1.00 3.98 C ATOM 1146 NH1 ARG A 74 7.972 4.294 10.377 1.00 4.77 N ATOM 1147 NH2 ARG A 74 7.003 2.311 10.326 1.00 5.04 N ATOM 0 H ARG A 74 14.290 3.313 8.218 1.00 1.83 H new ATOM 0 HA ARG A 74 12.703 1.481 6.536 1.00 1.63 H new ATOM 0 HB2 ARG A 74 11.109 1.099 8.220 1.00 1.61 H new ATOM 0 HB3 ARG A 74 12.688 0.609 8.800 1.00 1.61 H new ATOM 0 HG2 ARG A 74 11.816 1.573 10.682 1.00 2.09 H new ATOM 0 HG3 ARG A 74 12.720 2.915 10.010 1.00 2.09 H new ATOM 0 HD2 ARG A 74 10.705 3.833 10.799 1.00 2.36 H new ATOM 0 HD3 ARG A 74 10.552 3.794 9.053 1.00 2.36 H new ATOM 0 HE ARG A 74 9.357 1.411 10.015 1.00 2.84 H new ATOM 0 HH11 ARG A 74 8.784 4.910 10.330 1.00 4.77 H new ATOM 0 HH12 ARG A 74 7.041 4.687 10.517 1.00 4.77 H new ATOM 0 HH21 ARG A 74 7.019 1.295 10.237 1.00 5.04 H new ATOM 0 HH22 ARG A 74 6.118 2.797 10.469 1.00 5.04 H new ATOM 1161 N VAL A 75 10.927 3.203 6.138 1.00 2.13 N ATOM 1162 CA VAL A 75 9.920 4.138 5.613 1.00 2.65 C ATOM 1163 C VAL A 75 8.556 3.440 5.792 1.00 2.29 C ATOM 1164 O VAL A 75 8.504 2.288 6.213 1.00 2.78 O ATOM 1165 CB VAL A 75 10.250 4.478 4.127 1.00 3.23 C ATOM 1166 CG1 VAL A 75 9.202 5.352 3.411 1.00 3.73 C ATOM 1167 CG2 VAL A 75 11.599 5.220 4.025 1.00 3.80 C ATOM 0 H VAL A 75 10.736 2.252 5.821 1.00 2.13 H new ATOM 0 HA VAL A 75 9.907 5.092 6.139 1.00 2.65 H new ATOM 0 HB VAL A 75 10.270 3.507 3.633 1.00 3.23 H new ATOM 0 HG11 VAL A 75 9.520 5.534 2.384 1.00 3.73 H new ATOM 0 HG12 VAL A 75 8.241 4.838 3.407 1.00 3.73 H new ATOM 0 HG13 VAL A 75 9.103 6.303 3.934 1.00 3.73 H new ATOM 0 HG21 VAL A 75 11.811 5.448 2.980 1.00 3.80 H new ATOM 0 HG22 VAL A 75 11.548 6.147 4.596 1.00 3.80 H new ATOM 0 HG23 VAL A 75 12.392 4.590 4.427 1.00 3.80 H new ATOM 1177 N GLU A 76 7.434 4.087 5.505 1.00 1.76 N ATOM 1178 CA GLU A 76 6.113 3.479 5.461 1.00 1.24 C ATOM 1179 C GLU A 76 5.231 4.297 4.517 1.00 1.24 C ATOM 1180 O GLU A 76 5.564 5.438 4.181 1.00 1.35 O ATOM 1181 CB GLU A 76 5.505 3.380 6.863 1.00 1.29 C ATOM 1182 CG GLU A 76 5.654 4.659 7.678 1.00 2.24 C ATOM 1183 CD GLU A 76 4.716 4.660 8.878 1.00 2.83 C ATOM 1184 OE1 GLU A 76 3.499 4.843 8.658 1.00 4.01 O ATOM 1185 OE2 GLU A 76 5.244 4.439 9.996 1.00 3.36 O ATOM 0 H GLU A 76 7.419 5.084 5.289 1.00 1.76 H new ATOM 0 HA GLU A 76 6.189 2.459 5.084 1.00 1.24 H new ATOM 0 HB2 GLU A 76 4.447 3.135 6.776 1.00 1.29 H new ATOM 0 HB3 GLU A 76 5.979 2.558 7.400 1.00 1.29 H new ATOM 0 HG2 GLU A 76 6.685 4.758 8.019 1.00 2.24 H new ATOM 0 HG3 GLU A 76 5.442 5.522 7.047 1.00 2.24 H new ATOM 1192 N LEU A 77 4.140 3.684 4.058 1.00 1.22 N ATOM 1193 CA LEU A 77 3.349 4.153 2.922 1.00 1.10 C ATOM 1194 C LEU A 77 2.838 5.597 3.066 1.00 1.90 C ATOM 1195 O LEU A 77 2.936 6.368 2.121 1.00 3.71 O ATOM 1196 CB LEU A 77 2.223 3.118 2.689 1.00 1.32 C ATOM 1197 CG LEU A 77 2.424 2.291 1.409 1.00 1.26 C ATOM 1198 CD1 LEU A 77 3.739 1.492 1.369 1.00 1.17 C ATOM 1199 CD2 LEU A 77 1.261 1.306 1.249 1.00 1.95 C ATOM 0 H LEU A 77 3.774 2.828 4.476 1.00 1.22 H new ATOM 0 HA LEU A 77 3.985 4.216 2.039 1.00 1.10 H new ATOM 0 HB2 LEU A 77 2.172 2.446 3.545 1.00 1.32 H new ATOM 0 HB3 LEU A 77 1.266 3.637 2.634 1.00 1.32 H new ATOM 0 HG LEU A 77 2.465 3.014 0.595 1.00 1.26 H new ATOM 0 HD11 LEU A 77 3.800 0.938 0.432 1.00 1.17 H new ATOM 0 HD12 LEU A 77 4.584 2.177 1.440 1.00 1.17 H new ATOM 0 HD13 LEU A 77 3.766 0.794 2.206 1.00 1.17 H new ATOM 0 HD21 LEU A 77 1.403 0.719 0.341 1.00 1.95 H new ATOM 0 HD22 LEU A 77 1.228 0.639 2.111 1.00 1.95 H new ATOM 0 HD23 LEU A 77 0.323 1.858 1.181 1.00 1.95 H new ATOM 1211 N LYS A 78 2.330 5.964 4.247 1.00 1.24 N ATOM 1212 CA LYS A 78 1.756 7.262 4.637 1.00 1.68 C ATOM 1213 C LYS A 78 0.381 7.492 3.964 1.00 1.56 C ATOM 1214 O LYS A 78 0.342 7.737 2.762 1.00 1.51 O ATOM 1215 CB LYS A 78 2.777 8.387 4.368 1.00 2.02 C ATOM 1216 CG LYS A 78 2.273 9.797 4.696 1.00 2.09 C ATOM 1217 CD LYS A 78 3.369 10.846 4.457 1.00 3.01 C ATOM 1218 CE LYS A 78 3.657 10.980 2.954 1.00 4.00 C ATOM 1219 NZ LYS A 78 4.802 11.876 2.685 1.00 5.35 N ATOM 0 H LYS A 78 2.307 5.304 5.025 1.00 1.24 H new ATOM 0 HA LYS A 78 1.556 7.267 5.708 1.00 1.68 H new ATOM 0 HB2 LYS A 78 3.676 8.191 4.953 1.00 2.02 H new ATOM 0 HB3 LYS A 78 3.066 8.354 3.318 1.00 2.02 H new ATOM 0 HG2 LYS A 78 1.404 10.028 4.080 1.00 2.09 H new ATOM 0 HG3 LYS A 78 1.947 9.837 5.735 1.00 2.09 H new ATOM 0 HD2 LYS A 78 3.056 11.808 4.862 1.00 3.01 H new ATOM 0 HD3 LYS A 78 4.279 10.559 4.985 1.00 3.01 H new ATOM 0 HE2 LYS A 78 3.862 9.995 2.535 1.00 4.00 H new ATOM 0 HE3 LYS A 78 2.771 11.363 2.448 1.00 4.00 H new ATOM 0 HZ1 LYS A 78 4.961 11.938 1.659 1.00 5.35 H new ATOM 0 HZ2 LYS A 78 4.597 12.824 3.061 1.00 5.35 H new ATOM 0 HZ3 LYS A 78 5.654 11.498 3.145 1.00 5.35 H new ATOM 1233 N PRO A 79 -0.760 7.492 4.692 1.00 1.68 N ATOM 1234 CA PRO A 79 -2.082 7.633 4.064 1.00 1.82 C ATOM 1235 C PRO A 79 -2.233 8.989 3.357 1.00 1.93 C ATOM 1236 O PRO A 79 -2.791 9.055 2.261 1.00 2.80 O ATOM 1237 CB PRO A 79 -3.099 7.432 5.193 1.00 2.11 C ATOM 1238 CG PRO A 79 -2.327 7.807 6.458 1.00 2.13 C ATOM 1239 CD PRO A 79 -0.898 7.372 6.139 1.00 1.95 C ATOM 0 HA PRO A 79 -2.236 6.898 3.274 1.00 1.82 H new ATOM 0 HB2 PRO A 79 -3.976 8.066 5.058 1.00 2.11 H new ATOM 0 HB3 PRO A 79 -3.453 6.402 5.232 1.00 2.11 H new ATOM 0 HG2 PRO A 79 -2.386 8.876 6.663 1.00 2.13 H new ATOM 0 HG3 PRO A 79 -2.718 7.292 7.335 1.00 2.13 H new ATOM 0 HD2 PRO A 79 -0.173 8.002 6.655 1.00 1.95 H new ATOM 0 HD3 PRO A 79 -0.719 6.348 6.465 1.00 1.95 H new ATOM 1247 N GLY A 80 -1.626 10.040 3.924 1.00 1.64 N ATOM 1248 CA GLY A 80 -1.374 11.326 3.268 1.00 1.79 C ATOM 1249 C GLY A 80 -0.128 11.316 2.375 1.00 1.66 C ATOM 1250 O GLY A 80 0.666 12.253 2.448 1.00 2.18 O ATOM 0 H GLY A 80 -1.286 10.015 4.885 1.00 1.64 H new ATOM 0 HA2 GLY A 80 -2.242 11.595 2.666 1.00 1.79 H new ATOM 0 HA3 GLY A 80 -1.261 12.098 4.029 1.00 1.79 H new ATOM 1254 N GLY A 81 0.091 10.262 1.577 1.00 1.37 N ATOM 1255 CA GLY A 81 1.016 10.330 0.443 1.00 1.35 C ATOM 1256 C GLY A 81 1.222 9.127 -0.464 1.00 1.49 C ATOM 1257 O GLY A 81 1.353 9.336 -1.658 1.00 2.57 O ATOM 0 H GLY A 81 -0.360 9.355 1.697 1.00 1.37 H new ATOM 0 HA2 GLY A 81 0.689 11.156 -0.189 1.00 1.35 H new ATOM 0 HA3 GLY A 81 1.993 10.602 0.842 1.00 1.35 H new ATOM 1261 N TYR A 82 1.206 7.908 0.054 1.00 0.75 N ATOM 1262 CA TYR A 82 1.154 6.665 -0.722 1.00 0.65 C ATOM 1263 C TYR A 82 0.335 5.571 -0.050 1.00 0.73 C ATOM 1264 O TYR A 82 0.298 5.425 1.168 1.00 0.86 O ATOM 1265 CB TYR A 82 2.535 6.086 -1.043 1.00 0.66 C ATOM 1266 CG TYR A 82 3.411 7.020 -1.820 1.00 0.61 C ATOM 1267 CD1 TYR A 82 3.097 7.269 -3.163 1.00 2.13 C ATOM 1268 CD2 TYR A 82 4.477 7.685 -1.191 1.00 1.75 C ATOM 1269 CE1 TYR A 82 3.827 8.224 -3.881 1.00 2.13 C ATOM 1270 CE2 TYR A 82 5.225 8.633 -1.913 1.00 1.79 C ATOM 1271 CZ TYR A 82 4.894 8.913 -3.262 1.00 0.68 C ATOM 1272 OH TYR A 82 5.592 9.851 -3.957 1.00 0.80 O ATOM 0 H TYR A 82 1.230 7.745 1.061 1.00 0.75 H new ATOM 0 HA TYR A 82 0.667 6.968 -1.649 1.00 0.65 H new ATOM 0 HB2 TYR A 82 3.035 5.823 -0.111 1.00 0.66 H new ATOM 0 HB3 TYR A 82 2.410 5.163 -1.609 1.00 0.66 H new ATOM 0 HD1 TYR A 82 2.295 6.727 -3.642 1.00 2.13 H new ATOM 0 HD2 TYR A 82 4.720 7.470 -0.161 1.00 1.75 H new ATOM 0 HE1 TYR A 82 3.574 8.434 -4.910 1.00 2.13 H new ATOM 0 HE2 TYR A 82 6.049 9.146 -1.440 1.00 1.79 H new ATOM 0 HH TYR A 82 6.291 10.230 -3.384 1.00 0.80 H new ATOM 1282 N HIS A 83 -0.330 4.763 -0.863 1.00 0.66 N ATOM 1283 CA HIS A 83 -1.078 3.605 -0.373 1.00 0.69 C ATOM 1284 C HIS A 83 -1.362 2.615 -1.503 1.00 0.68 C ATOM 1285 O HIS A 83 -1.486 3.032 -2.655 1.00 0.71 O ATOM 1286 CB HIS A 83 -2.348 4.036 0.382 1.00 0.75 C ATOM 1287 CG HIS A 83 -3.323 4.772 -0.494 1.00 0.73 C ATOM 1288 ND1 HIS A 83 -3.202 6.096 -0.859 1.00 0.68 N ATOM 1289 CD2 HIS A 83 -4.348 4.232 -1.229 1.00 0.75 C ATOM 1290 CE1 HIS A 83 -4.098 6.344 -1.818 1.00 0.66 C ATOM 1291 NE2 HIS A 83 -4.840 5.250 -2.049 1.00 0.71 N ATOM 0 H HIS A 83 -0.369 4.887 -1.875 1.00 0.66 H new ATOM 0 HA HIS A 83 -0.457 3.078 0.352 1.00 0.69 H new ATOM 0 HB2 HIS A 83 -2.835 3.154 0.799 1.00 0.75 H new ATOM 0 HB3 HIS A 83 -2.068 4.672 1.221 1.00 0.75 H new ATOM 0 HD1 HIS A 83 -2.544 6.768 -0.466 1.00 0.68 H new ATOM 0 HD2 HIS A 83 -4.706 3.214 -1.182 1.00 0.75 H new ATOM 0 HE1 HIS A 83 -4.209 7.287 -2.332 1.00 0.66 H new ATOM 1299 N PHE A 84 -1.523 1.330 -1.187 1.00 0.71 N ATOM 1300 CA PHE A 84 -2.052 0.374 -2.160 1.00 0.74 C ATOM 1301 C PHE A 84 -3.572 0.517 -2.249 1.00 0.70 C ATOM 1302 O PHE A 84 -4.235 0.694 -1.231 1.00 0.76 O ATOM 1303 CB PHE A 84 -1.637 -1.057 -1.797 1.00 0.85 C ATOM 1304 CG PHE A 84 -0.168 -1.335 -2.052 1.00 0.81 C ATOM 1305 CD1 PHE A 84 0.290 -1.540 -3.366 1.00 1.29 C ATOM 1306 CD2 PHE A 84 0.748 -1.339 -0.985 1.00 1.90 C ATOM 1307 CE1 PHE A 84 1.662 -1.720 -3.617 1.00 1.34 C ATOM 1308 CE2 PHE A 84 2.122 -1.488 -1.238 1.00 1.90 C ATOM 1309 CZ PHE A 84 2.578 -1.676 -2.552 1.00 0.87 C ATOM 0 H PHE A 84 -1.298 0.930 -0.276 1.00 0.71 H new ATOM 0 HA PHE A 84 -1.631 0.591 -3.142 1.00 0.74 H new ATOM 0 HB2 PHE A 84 -1.857 -1.236 -0.745 1.00 0.85 H new ATOM 0 HB3 PHE A 84 -2.239 -1.760 -2.373 1.00 0.85 H new ATOM 0 HD1 PHE A 84 -0.414 -1.559 -4.185 1.00 1.29 H new ATOM 0 HD2 PHE A 84 0.395 -1.227 0.030 1.00 1.90 H new ATOM 0 HE1 PHE A 84 2.011 -1.891 -4.625 1.00 1.34 H new ATOM 0 HE2 PHE A 84 2.828 -1.458 -0.421 1.00 1.90 H new ATOM 0 HZ PHE A 84 3.635 -1.787 -2.745 1.00 0.87 H new ATOM 1319 N MET A 85 -4.131 0.403 -3.452 1.00 0.66 N ATOM 1320 CA MET A 85 -5.560 0.208 -3.725 1.00 0.65 C ATOM 1321 C MET A 85 -5.798 -1.241 -4.156 1.00 0.56 C ATOM 1322 O MET A 85 -5.050 -1.773 -4.974 1.00 0.59 O ATOM 1323 CB MET A 85 -6.050 1.169 -4.809 1.00 0.74 C ATOM 1324 CG MET A 85 -7.474 1.669 -4.505 1.00 0.81 C ATOM 1325 SD MET A 85 -7.575 3.017 -3.278 1.00 0.80 S ATOM 1326 CE MET A 85 -9.374 3.061 -2.999 1.00 0.71 C ATOM 0 H MET A 85 -3.576 0.446 -4.307 1.00 0.66 H new ATOM 0 HA MET A 85 -6.123 0.418 -2.815 1.00 0.65 H new ATOM 0 HB2 MET A 85 -5.371 2.018 -4.880 1.00 0.74 H new ATOM 0 HB3 MET A 85 -6.036 0.668 -5.777 1.00 0.74 H new ATOM 0 HG2 MET A 85 -7.929 2.010 -5.435 1.00 0.81 H new ATOM 0 HG3 MET A 85 -8.069 0.828 -4.148 1.00 0.81 H new ATOM 0 HE1 MET A 85 -9.610 3.836 -2.270 1.00 0.71 H new ATOM 0 HE2 MET A 85 -9.883 3.279 -3.938 1.00 0.71 H new ATOM 0 HE3 MET A 85 -9.707 2.094 -2.622 1.00 0.71 H new ATOM 1336 N LEU A 86 -6.835 -1.865 -3.598 1.00 0.53 N ATOM 1337 CA LEU A 86 -7.279 -3.223 -3.912 1.00 0.51 C ATOM 1338 C LEU A 86 -8.627 -3.138 -4.633 1.00 0.54 C ATOM 1339 O LEU A 86 -9.577 -2.577 -4.085 1.00 0.61 O ATOM 1340 CB LEU A 86 -7.457 -4.026 -2.610 1.00 0.56 C ATOM 1341 CG LEU A 86 -6.189 -4.617 -1.967 1.00 0.63 C ATOM 1342 CD1 LEU A 86 -5.172 -3.565 -1.511 1.00 0.69 C ATOM 1343 CD2 LEU A 86 -6.609 -5.436 -0.736 1.00 0.76 C ATOM 0 H LEU A 86 -7.413 -1.420 -2.885 1.00 0.53 H new ATOM 0 HA LEU A 86 -6.539 -3.717 -4.542 1.00 0.51 H new ATOM 0 HB2 LEU A 86 -7.937 -3.378 -1.877 1.00 0.56 H new ATOM 0 HB3 LEU A 86 -8.147 -4.846 -2.811 1.00 0.56 H new ATOM 0 HG LEU A 86 -5.702 -5.221 -2.732 1.00 0.63 H new ATOM 0 HD11 LEU A 86 -4.308 -4.062 -1.069 1.00 0.69 H new ATOM 0 HD12 LEU A 86 -4.851 -2.973 -2.368 1.00 0.69 H new ATOM 0 HD13 LEU A 86 -5.632 -2.911 -0.771 1.00 0.69 H new ATOM 0 HD21 LEU A 86 -5.724 -5.864 -0.265 1.00 0.76 H new ATOM 0 HD22 LEU A 86 -7.121 -4.788 -0.025 1.00 0.76 H new ATOM 0 HD23 LEU A 86 -7.280 -6.238 -1.044 1.00 0.76 H new ATOM 1355 N LEU A 87 -8.724 -3.693 -5.839 1.00 0.64 N ATOM 1356 CA LEU A 87 -9.969 -3.744 -6.611 1.00 0.74 C ATOM 1357 C LEU A 87 -10.325 -5.206 -6.904 1.00 0.76 C ATOM 1358 O LEU A 87 -9.461 -6.017 -7.249 1.00 0.80 O ATOM 1359 CB LEU A 87 -9.833 -2.917 -7.908 1.00 0.92 C ATOM 1360 CG LEU A 87 -9.976 -1.384 -7.774 1.00 1.16 C ATOM 1361 CD1 LEU A 87 -8.788 -0.692 -7.085 1.00 1.76 C ATOM 1362 CD2 LEU A 87 -10.143 -0.777 -9.176 1.00 1.79 C ATOM 0 H LEU A 87 -7.933 -4.126 -6.315 1.00 0.64 H new ATOM 0 HA LEU A 87 -10.780 -3.303 -6.031 1.00 0.74 H new ATOM 0 HB2 LEU A 87 -8.858 -3.130 -8.347 1.00 0.92 H new ATOM 0 HB3 LEU A 87 -10.584 -3.268 -8.615 1.00 0.92 H new ATOM 0 HG LEU A 87 -10.846 -1.215 -7.140 1.00 1.16 H new ATOM 0 HD11 LEU A 87 -8.972 0.381 -7.033 1.00 1.76 H new ATOM 0 HD12 LEU A 87 -8.671 -1.089 -6.077 1.00 1.76 H new ATOM 0 HD13 LEU A 87 -7.878 -0.877 -7.656 1.00 1.76 H new ATOM 0 HD21 LEU A 87 -10.245 0.305 -9.094 1.00 1.79 H new ATOM 0 HD22 LEU A 87 -9.268 -1.014 -9.782 1.00 1.79 H new ATOM 0 HD23 LEU A 87 -11.034 -1.191 -9.648 1.00 1.79 H new ATOM 1374 N GLY A 88 -11.612 -5.541 -6.780 1.00 0.79 N ATOM 1375 CA GLY A 88 -12.129 -6.884 -7.054 1.00 0.84 C ATOM 1376 C GLY A 88 -11.828 -7.868 -5.927 1.00 0.83 C ATOM 1377 O GLY A 88 -11.354 -8.970 -6.200 1.00 0.95 O ATOM 0 H GLY A 88 -12.331 -4.881 -6.484 1.00 0.79 H new ATOM 0 HA2 GLY A 88 -13.207 -6.831 -7.207 1.00 0.84 H new ATOM 0 HA3 GLY A 88 -11.693 -7.255 -7.982 1.00 0.84 H new ATOM 1381 N LEU A 89 -12.049 -7.460 -4.671 1.00 0.80 N ATOM 1382 CA LEU A 89 -11.875 -8.322 -3.499 1.00 0.78 C ATOM 1383 C LEU A 89 -12.638 -9.646 -3.557 1.00 0.89 C ATOM 1384 O LEU A 89 -13.646 -9.813 -4.237 1.00 1.15 O ATOM 1385 CB LEU A 89 -12.060 -7.569 -2.164 1.00 0.76 C ATOM 1386 CG LEU A 89 -13.345 -6.740 -1.933 1.00 0.88 C ATOM 1387 CD1 LEU A 89 -14.610 -7.611 -1.902 1.00 1.35 C ATOM 1388 CD2 LEU A 89 -13.196 -5.989 -0.599 1.00 1.25 C ATOM 0 H LEU A 89 -12.356 -6.515 -4.440 1.00 0.80 H new ATOM 0 HA LEU A 89 -10.827 -8.621 -3.537 1.00 0.78 H new ATOM 0 HB2 LEU A 89 -11.996 -8.304 -1.362 1.00 0.76 H new ATOM 0 HB3 LEU A 89 -11.211 -6.896 -2.048 1.00 0.76 H new ATOM 0 HG LEU A 89 -13.463 -6.046 -2.766 1.00 0.88 H new ATOM 0 HD11 LEU A 89 -15.483 -6.979 -1.737 1.00 1.35 H new ATOM 0 HD12 LEU A 89 -14.715 -8.134 -2.853 1.00 1.35 H new ATOM 0 HD13 LEU A 89 -14.531 -8.339 -1.094 1.00 1.35 H new ATOM 0 HD21 LEU A 89 -14.091 -5.396 -0.413 1.00 1.25 H new ATOM 0 HD22 LEU A 89 -13.062 -6.707 0.210 1.00 1.25 H new ATOM 0 HD23 LEU A 89 -12.328 -5.331 -0.647 1.00 1.25 H new ATOM 1400 N LYS A 90 -12.088 -10.603 -2.809 1.00 0.87 N ATOM 1401 CA LYS A 90 -12.557 -11.999 -2.762 1.00 0.96 C ATOM 1402 C LYS A 90 -13.233 -12.378 -1.426 1.00 1.08 C ATOM 1403 O LYS A 90 -13.854 -13.436 -1.319 1.00 1.19 O ATOM 1404 CB LYS A 90 -11.392 -12.941 -3.106 1.00 0.92 C ATOM 1405 CG LYS A 90 -10.646 -12.595 -4.411 1.00 0.87 C ATOM 1406 CD LYS A 90 -11.533 -12.577 -5.666 1.00 1.48 C ATOM 1407 CE LYS A 90 -10.668 -12.303 -6.903 1.00 1.28 C ATOM 1408 NZ LYS A 90 -11.428 -12.467 -8.163 1.00 2.19 N ATOM 0 H LYS A 90 -11.286 -10.431 -2.203 1.00 0.87 H new ATOM 0 HA LYS A 90 -13.342 -12.109 -3.511 1.00 0.96 H new ATOM 0 HB2 LYS A 90 -10.679 -12.930 -2.282 1.00 0.92 H new ATOM 0 HB3 LYS A 90 -11.776 -13.958 -3.182 1.00 0.92 H new ATOM 0 HG2 LYS A 90 -10.177 -11.617 -4.299 1.00 0.87 H new ATOM 0 HG3 LYS A 90 -9.844 -13.318 -4.559 1.00 0.87 H new ATOM 0 HD2 LYS A 90 -12.048 -13.532 -5.774 1.00 1.48 H new ATOM 0 HD3 LYS A 90 -12.301 -11.810 -5.570 1.00 1.48 H new ATOM 0 HE2 LYS A 90 -10.271 -11.289 -6.849 1.00 1.28 H new ATOM 0 HE3 LYS A 90 -9.814 -12.980 -6.905 1.00 1.28 H new ATOM 0 HZ1 LYS A 90 -10.788 -12.793 -8.915 1.00 2.19 H new ATOM 0 HZ2 LYS A 90 -12.184 -13.168 -8.024 1.00 2.19 H new ATOM 0 HZ3 LYS A 90 -11.847 -11.556 -8.437 1.00 2.19 H new ATOM 1422 N ARG A 91 -13.125 -11.504 -0.418 1.00 1.11 N ATOM 1423 CA ARG A 91 -13.852 -11.540 0.861 1.00 1.18 C ATOM 1424 C ARG A 91 -14.137 -10.087 1.294 1.00 1.10 C ATOM 1425 O ARG A 91 -13.256 -9.252 1.070 1.00 1.04 O ATOM 1426 CB ARG A 91 -13.006 -12.210 1.961 1.00 1.27 C ATOM 1427 CG ARG A 91 -12.597 -13.663 1.668 1.00 1.93 C ATOM 1428 CD ARG A 91 -11.637 -14.220 2.725 1.00 2.21 C ATOM 1429 NE ARG A 91 -12.305 -14.523 4.008 1.00 2.78 N ATOM 1430 CZ ARG A 91 -12.306 -13.777 5.110 1.00 3.86 C ATOM 1431 NH1 ARG A 91 -11.711 -12.609 5.206 1.00 4.78 N ATOM 1432 NH2 ARG A 91 -12.918 -14.178 6.199 1.00 4.80 N ATOM 0 H ARG A 91 -12.492 -10.706 -0.474 1.00 1.11 H new ATOM 0 HA ARG A 91 -14.772 -12.110 0.727 1.00 1.18 H new ATOM 0 HB2 ARG A 91 -12.104 -11.618 2.116 1.00 1.27 H new ATOM 0 HB3 ARG A 91 -13.567 -12.187 2.895 1.00 1.27 H new ATOM 0 HG2 ARG A 91 -13.489 -14.288 1.625 1.00 1.93 H new ATOM 0 HG3 ARG A 91 -12.124 -13.715 0.687 1.00 1.93 H new ATOM 0 HD2 ARG A 91 -11.170 -15.127 2.342 1.00 2.21 H new ATOM 0 HD3 ARG A 91 -10.838 -13.499 2.899 1.00 2.21 H new ATOM 0 HE ARG A 91 -12.822 -15.401 4.054 1.00 2.78 H new ATOM 0 HH11 ARG A 91 -11.210 -12.224 4.405 1.00 4.78 H new ATOM 0 HH12 ARG A 91 -11.750 -12.087 6.082 1.00 4.78 H new ATOM 0 HH21 ARG A 91 -13.404 -15.075 6.210 1.00 4.80 H new ATOM 0 HH22 ARG A 91 -12.908 -13.593 7.034 1.00 4.80 H new ATOM 1446 N PRO A 92 -15.293 -9.781 1.914 1.00 1.30 N ATOM 1447 CA PRO A 92 -15.536 -8.474 2.514 1.00 1.39 C ATOM 1448 C PRO A 92 -14.637 -8.294 3.741 1.00 1.39 C ATOM 1449 O PRO A 92 -14.253 -9.267 4.393 1.00 1.62 O ATOM 1450 CB PRO A 92 -17.022 -8.455 2.873 1.00 1.73 C ATOM 1451 CG PRO A 92 -17.323 -9.928 3.158 1.00 1.83 C ATOM 1452 CD PRO A 92 -16.414 -10.673 2.178 1.00 1.59 C ATOM 0 HA PRO A 92 -15.301 -7.649 1.842 1.00 1.39 H new ATOM 0 HB2 PRO A 92 -17.220 -7.827 3.741 1.00 1.73 H new ATOM 0 HB3 PRO A 92 -17.630 -8.069 2.055 1.00 1.73 H new ATOM 0 HG2 PRO A 92 -17.100 -10.191 4.192 1.00 1.83 H new ATOM 0 HG3 PRO A 92 -18.374 -10.163 2.989 1.00 1.83 H new ATOM 0 HD2 PRO A 92 -16.071 -11.616 2.604 1.00 1.59 H new ATOM 0 HD3 PRO A 92 -16.946 -10.914 1.258 1.00 1.59 H new ATOM 1460 N LEU A 93 -14.287 -7.041 4.040 1.00 1.46 N ATOM 1461 CA LEU A 93 -13.226 -6.691 4.983 1.00 1.47 C ATOM 1462 C LEU A 93 -13.812 -5.925 6.177 1.00 1.49 C ATOM 1463 O LEU A 93 -13.938 -4.702 6.140 1.00 2.04 O ATOM 1464 CB LEU A 93 -12.158 -5.875 4.216 1.00 1.66 C ATOM 1465 CG LEU A 93 -11.538 -6.597 3.001 1.00 1.26 C ATOM 1466 CD1 LEU A 93 -10.670 -5.615 2.207 1.00 2.03 C ATOM 1467 CD2 LEU A 93 -10.717 -7.822 3.421 1.00 2.20 C ATOM 0 H LEU A 93 -14.742 -6.228 3.625 1.00 1.46 H new ATOM 0 HA LEU A 93 -12.753 -7.583 5.394 1.00 1.47 H new ATOM 0 HB2 LEU A 93 -12.609 -4.943 3.875 1.00 1.66 H new ATOM 0 HB3 LEU A 93 -11.359 -5.608 4.908 1.00 1.66 H new ATOM 0 HG LEU A 93 -12.351 -6.957 2.370 1.00 1.26 H new ATOM 0 HD11 LEU A 93 -10.233 -6.127 1.349 1.00 2.03 H new ATOM 0 HD12 LEU A 93 -11.285 -4.785 1.860 1.00 2.03 H new ATOM 0 HD13 LEU A 93 -9.874 -5.234 2.846 1.00 2.03 H new ATOM 0 HD21 LEU A 93 -10.299 -8.301 2.536 1.00 2.20 H new ATOM 0 HD22 LEU A 93 -9.908 -7.509 4.081 1.00 2.20 H new ATOM 0 HD23 LEU A 93 -11.360 -8.529 3.946 1.00 2.20 H new ATOM 1479 N LYS A 94 -14.177 -6.636 7.255 1.00 1.23 N ATOM 1480 CA LYS A 94 -14.562 -6.011 8.530 1.00 1.27 C ATOM 1481 C LYS A 94 -13.337 -5.664 9.400 1.00 1.08 C ATOM 1482 O LYS A 94 -12.259 -6.241 9.248 1.00 1.39 O ATOM 1483 CB LYS A 94 -15.567 -6.894 9.303 1.00 1.56 C ATOM 1484 CG LYS A 94 -14.930 -8.178 9.861 1.00 2.13 C ATOM 1485 CD LYS A 94 -15.787 -8.929 10.892 1.00 3.13 C ATOM 1486 CE LYS A 94 -15.018 -9.280 12.187 1.00 4.95 C ATOM 1487 NZ LYS A 94 -13.751 -10.005 11.919 1.00 5.32 N ATOM 0 H LYS A 94 -14.214 -7.655 7.268 1.00 1.23 H new ATOM 0 HA LYS A 94 -15.057 -5.070 8.289 1.00 1.27 H new ATOM 0 HB2 LYS A 94 -15.991 -6.318 10.125 1.00 1.56 H new ATOM 0 HB3 LYS A 94 -16.392 -7.161 8.642 1.00 1.56 H new ATOM 0 HG2 LYS A 94 -14.714 -8.850 9.030 1.00 2.13 H new ATOM 0 HG3 LYS A 94 -13.975 -7.923 10.320 1.00 2.13 H new ATOM 0 HD2 LYS A 94 -16.654 -8.320 11.146 1.00 3.13 H new ATOM 0 HD3 LYS A 94 -16.164 -9.847 10.441 1.00 3.13 H new ATOM 0 HE2 LYS A 94 -14.799 -8.364 12.735 1.00 4.95 H new ATOM 0 HE3 LYS A 94 -15.653 -9.891 12.828 1.00 4.95 H new ATOM 0 HZ1 LYS A 94 -13.836 -10.987 12.250 1.00 5.32 H new ATOM 0 HZ2 LYS A 94 -13.557 -10.000 10.897 1.00 5.32 H new ATOM 0 HZ3 LYS A 94 -12.970 -9.537 12.422 1.00 5.32 H new ATOM 1501 N ALA A 95 -13.532 -4.812 10.410 1.00 1.09 N ATOM 1502 CA ALA A 95 -12.550 -4.568 11.454 1.00 1.07 C ATOM 1503 C ALA A 95 -12.253 -5.891 12.167 1.00 0.95 C ATOM 1504 O ALA A 95 -13.164 -6.599 12.601 1.00 1.07 O ATOM 1505 CB ALA A 95 -13.096 -3.506 12.417 1.00 1.36 C ATOM 0 H ALA A 95 -14.388 -4.269 10.521 1.00 1.09 H new ATOM 0 HA ALA A 95 -11.617 -4.190 11.036 1.00 1.07 H new ATOM 0 HB1 ALA A 95 -12.365 -3.317 13.203 1.00 1.36 H new ATOM 0 HB2 ALA A 95 -13.287 -2.583 11.870 1.00 1.36 H new ATOM 0 HB3 ALA A 95 -14.025 -3.862 12.863 1.00 1.36 H new ATOM 1511 N GLY A 96 -10.974 -6.233 12.231 1.00 0.90 N ATOM 1512 CA GLY A 96 -10.473 -7.445 12.881 1.00 0.99 C ATOM 1513 C GLY A 96 -10.696 -8.720 12.066 1.00 1.03 C ATOM 1514 O GLY A 96 -10.971 -9.767 12.647 1.00 1.42 O ATOM 0 H GLY A 96 -10.233 -5.663 11.823 1.00 0.90 H new ATOM 0 HA2 GLY A 96 -9.406 -7.329 13.072 1.00 0.99 H new ATOM 0 HA3 GLY A 96 -10.960 -7.554 13.850 1.00 0.99 H new ATOM 1518 N GLU A 97 -10.651 -8.640 10.730 1.00 1.00 N ATOM 1519 CA GLU A 97 -10.083 -9.732 9.922 1.00 1.02 C ATOM 1520 C GLU A 97 -8.549 -9.584 9.910 1.00 0.92 C ATOM 1521 O GLU A 97 -8.020 -8.595 10.419 1.00 0.89 O ATOM 1522 CB GLU A 97 -10.568 -9.675 8.462 1.00 0.96 C ATOM 1523 CG GLU A 97 -12.079 -9.680 8.251 1.00 1.32 C ATOM 1524 CD GLU A 97 -12.704 -11.038 8.559 1.00 1.28 C ATOM 1525 OE1 GLU A 97 -12.471 -11.972 7.761 1.00 1.87 O ATOM 1526 OE2 GLU A 97 -13.433 -11.140 9.567 1.00 2.71 O ATOM 0 H GLU A 97 -10.994 -7.845 10.191 1.00 1.00 H new ATOM 0 HA GLU A 97 -10.401 -10.677 10.362 1.00 1.02 H new ATOM 0 HB2 GLU A 97 -10.161 -8.775 8.001 1.00 0.96 H new ATOM 0 HB3 GLU A 97 -10.145 -10.526 7.928 1.00 0.96 H new ATOM 0 HG2 GLU A 97 -12.535 -8.921 8.887 1.00 1.32 H new ATOM 0 HG3 GLU A 97 -12.300 -9.407 7.219 1.00 1.32 H new ATOM 1533 N GLU A 98 -7.853 -10.489 9.227 1.00 0.92 N ATOM 1534 CA GLU A 98 -6.473 -10.364 8.822 1.00 0.87 C ATOM 1535 C GLU A 98 -6.418 -10.812 7.361 1.00 0.92 C ATOM 1536 O GLU A 98 -7.242 -11.599 6.894 1.00 1.16 O ATOM 1537 CB GLU A 98 -5.526 -11.204 9.689 1.00 1.00 C ATOM 1538 CG GLU A 98 -5.626 -10.882 11.186 1.00 2.07 C ATOM 1539 CD GLU A 98 -4.297 -11.149 11.881 1.00 2.84 C ATOM 1540 OE1 GLU A 98 -3.789 -12.283 11.746 1.00 3.19 O ATOM 1541 OE2 GLU A 98 -3.776 -10.185 12.480 1.00 3.88 O ATOM 0 H GLU A 98 -8.267 -11.373 8.930 1.00 0.92 H new ATOM 0 HA GLU A 98 -6.137 -9.334 8.944 1.00 0.87 H new ATOM 0 HB2 GLU A 98 -5.746 -12.261 9.536 1.00 1.00 H new ATOM 0 HB3 GLU A 98 -4.501 -11.041 9.357 1.00 1.00 H new ATOM 0 HG2 GLU A 98 -5.910 -9.838 11.321 1.00 2.07 H new ATOM 0 HG3 GLU A 98 -6.409 -11.487 11.642 1.00 2.07 H new ATOM 1548 N VAL A 99 -5.472 -10.240 6.641 1.00 0.78 N ATOM 1549 CA VAL A 99 -5.273 -10.380 5.192 1.00 0.78 C ATOM 1550 C VAL A 99 -3.787 -10.530 4.875 1.00 0.77 C ATOM 1551 O VAL A 99 -2.960 -9.752 5.344 1.00 0.80 O ATOM 1552 CB VAL A 99 -5.846 -9.151 4.449 1.00 0.76 C ATOM 1553 CG1 VAL A 99 -5.418 -9.111 2.969 1.00 0.96 C ATOM 1554 CG2 VAL A 99 -7.382 -9.136 4.514 1.00 0.90 C ATOM 0 H VAL A 99 -4.776 -9.628 7.067 1.00 0.78 H new ATOM 0 HA VAL A 99 -5.800 -11.273 4.856 1.00 0.78 H new ATOM 0 HB VAL A 99 -5.441 -8.274 4.954 1.00 0.76 H new ATOM 0 HG11 VAL A 99 -5.845 -8.230 2.490 1.00 0.96 H new ATOM 0 HG12 VAL A 99 -4.331 -9.067 2.906 1.00 0.96 H new ATOM 0 HG13 VAL A 99 -5.775 -10.008 2.463 1.00 0.96 H new ATOM 0 HG21 VAL A 99 -7.760 -8.262 3.984 1.00 0.90 H new ATOM 0 HG22 VAL A 99 -7.775 -10.040 4.049 1.00 0.90 H new ATOM 0 HG23 VAL A 99 -7.702 -9.095 5.555 1.00 0.90 H new ATOM 1564 N GLU A 100 -3.462 -11.505 4.022 1.00 0.88 N ATOM 1565 CA GLU A 100 -2.109 -11.678 3.500 1.00 0.97 C ATOM 1566 C GLU A 100 -1.828 -10.676 2.366 1.00 0.78 C ATOM 1567 O GLU A 100 -2.653 -10.485 1.464 1.00 0.72 O ATOM 1568 CB GLU A 100 -1.861 -13.119 3.024 1.00 1.31 C ATOM 1569 CG GLU A 100 -2.206 -14.189 4.075 1.00 1.86 C ATOM 1570 CD GLU A 100 -1.336 -15.437 3.924 1.00 1.98 C ATOM 1571 OE1 GLU A 100 -1.246 -16.003 2.811 1.00 2.36 O ATOM 1572 OE2 GLU A 100 -0.632 -15.800 4.890 1.00 2.73 O ATOM 0 H GLU A 100 -4.130 -12.194 3.676 1.00 0.88 H new ATOM 0 HA GLU A 100 -1.417 -11.479 4.318 1.00 0.97 H new ATOM 0 HB2 GLU A 100 -2.451 -13.302 2.126 1.00 1.31 H new ATOM 0 HB3 GLU A 100 -0.813 -13.224 2.743 1.00 1.31 H new ATOM 0 HG2 GLU A 100 -2.074 -13.773 5.074 1.00 1.86 H new ATOM 0 HG3 GLU A 100 -3.256 -14.465 3.981 1.00 1.86 H new ATOM 1579 N LEU A 101 -0.630 -10.084 2.393 1.00 0.79 N ATOM 1580 CA LEU A 101 -0.061 -9.297 1.301 1.00 0.68 C ATOM 1581 C LEU A 101 1.282 -9.891 0.846 1.00 0.68 C ATOM 1582 O LEU A 101 2.171 -10.181 1.646 1.00 0.78 O ATOM 1583 CB LEU A 101 0.095 -7.811 1.704 1.00 0.82 C ATOM 1584 CG LEU A 101 -0.779 -6.856 0.864 1.00 0.87 C ATOM 1585 CD1 LEU A 101 -2.264 -6.928 1.250 1.00 1.67 C ATOM 1586 CD2 LEU A 101 -0.291 -5.408 1.000 1.00 1.56 C ATOM 0 H LEU A 101 -0.012 -10.143 3.202 1.00 0.79 H new ATOM 0 HA LEU A 101 -0.753 -9.339 0.460 1.00 0.68 H new ATOM 0 HB2 LEU A 101 -0.164 -7.698 2.757 1.00 0.82 H new ATOM 0 HB3 LEU A 101 1.141 -7.521 1.600 1.00 0.82 H new ATOM 0 HG LEU A 101 -0.683 -7.182 -0.172 1.00 0.87 H new ATOM 0 HD11 LEU A 101 -2.835 -6.237 0.630 1.00 1.67 H new ATOM 0 HD12 LEU A 101 -2.631 -7.943 1.096 1.00 1.67 H new ATOM 0 HD13 LEU A 101 -2.381 -6.655 2.299 1.00 1.67 H new ATOM 0 HD21 LEU A 101 -0.922 -4.753 0.399 1.00 1.56 H new ATOM 0 HD22 LEU A 101 -0.343 -5.103 2.045 1.00 1.56 H new ATOM 0 HD23 LEU A 101 0.740 -5.337 0.652 1.00 1.56 H new ATOM 1598 N ASP A 102 1.432 -10.005 -0.464 1.00 0.66 N ATOM 1599 CA ASP A 102 2.711 -10.115 -1.166 1.00 0.63 C ATOM 1600 C ASP A 102 3.264 -8.707 -1.408 1.00 0.72 C ATOM 1601 O ASP A 102 2.513 -7.806 -1.783 1.00 0.97 O ATOM 1602 CB ASP A 102 2.483 -10.741 -2.544 1.00 0.80 C ATOM 1603 CG ASP A 102 2.270 -12.251 -2.607 1.00 1.21 C ATOM 1604 OD1 ASP A 102 2.671 -12.963 -1.666 1.00 1.69 O ATOM 1605 OD2 ASP A 102 1.676 -12.684 -3.626 1.00 2.72 O ATOM 0 H ASP A 102 0.634 -10.025 -1.099 1.00 0.66 H new ATOM 0 HA ASP A 102 3.394 -10.719 -0.569 1.00 0.63 H new ATOM 0 HB2 ASP A 102 1.613 -10.260 -2.992 1.00 0.80 H new ATOM 0 HB3 ASP A 102 3.341 -10.496 -3.170 1.00 0.80 H new ATOM 1610 N LEU A 103 4.575 -8.535 -1.282 1.00 0.70 N ATOM 1611 CA LEU A 103 5.317 -7.344 -1.691 1.00 0.73 C ATOM 1612 C LEU A 103 6.188 -7.690 -2.906 1.00 0.72 C ATOM 1613 O LEU A 103 6.979 -8.633 -2.845 1.00 0.77 O ATOM 1614 CB LEU A 103 6.184 -6.850 -0.520 1.00 0.84 C ATOM 1615 CG LEU A 103 5.415 -6.207 0.655 1.00 0.93 C ATOM 1616 CD1 LEU A 103 4.748 -7.218 1.601 1.00 0.99 C ATOM 1617 CD2 LEU A 103 6.398 -5.358 1.476 1.00 1.12 C ATOM 0 H LEU A 103 5.177 -9.251 -0.875 1.00 0.70 H new ATOM 0 HA LEU A 103 4.626 -6.547 -1.967 1.00 0.73 H new ATOM 0 HB2 LEU A 103 6.759 -7.693 -0.136 1.00 0.84 H new ATOM 0 HB3 LEU A 103 6.900 -6.123 -0.903 1.00 0.84 H new ATOM 0 HG LEU A 103 4.615 -5.614 0.213 1.00 0.93 H new ATOM 0 HD11 LEU A 103 4.230 -6.684 2.397 1.00 0.99 H new ATOM 0 HD12 LEU A 103 4.032 -7.821 1.043 1.00 0.99 H new ATOM 0 HD13 LEU A 103 5.509 -7.867 2.035 1.00 0.99 H new ATOM 0 HD21 LEU A 103 5.871 -4.896 2.311 1.00 1.12 H new ATOM 0 HD22 LEU A 103 7.197 -5.994 1.858 1.00 1.12 H new ATOM 0 HD23 LEU A 103 6.825 -4.581 0.842 1.00 1.12 H new ATOM 1629 N LEU A 104 6.058 -6.918 -3.994 1.00 0.72 N ATOM 1630 CA LEU A 104 6.784 -7.113 -5.252 1.00 0.72 C ATOM 1631 C LEU A 104 7.906 -6.071 -5.380 1.00 0.75 C ATOM 1632 O LEU A 104 7.651 -4.864 -5.447 1.00 0.88 O ATOM 1633 CB LEU A 104 5.793 -7.005 -6.434 1.00 0.75 C ATOM 1634 CG LEU A 104 4.597 -7.983 -6.429 1.00 0.76 C ATOM 1635 CD1 LEU A 104 3.779 -7.810 -7.718 1.00 0.80 C ATOM 1636 CD2 LEU A 104 5.018 -9.451 -6.310 1.00 0.78 C ATOM 0 H LEU A 104 5.426 -6.118 -4.021 1.00 0.72 H new ATOM 0 HA LEU A 104 7.240 -8.103 -5.264 1.00 0.72 H new ATOM 0 HB2 LEU A 104 5.401 -5.988 -6.457 1.00 0.75 H new ATOM 0 HB3 LEU A 104 6.350 -7.153 -7.359 1.00 0.75 H new ATOM 0 HG LEU A 104 4.002 -7.738 -5.549 1.00 0.76 H new ATOM 0 HD11 LEU A 104 2.937 -8.502 -7.710 1.00 0.80 H new ATOM 0 HD12 LEU A 104 3.408 -6.787 -7.779 1.00 0.80 H new ATOM 0 HD13 LEU A 104 4.411 -8.018 -8.581 1.00 0.80 H new ATOM 0 HD21 LEU A 104 4.131 -10.085 -6.312 1.00 0.78 H new ATOM 0 HD22 LEU A 104 5.656 -9.716 -7.153 1.00 0.78 H new ATOM 0 HD23 LEU A 104 5.567 -9.598 -5.380 1.00 0.78 H new ATOM 1648 N PHE A 105 9.159 -6.529 -5.437 1.00 0.67 N ATOM 1649 CA PHE A 105 10.362 -5.683 -5.443 1.00 0.74 C ATOM 1650 C PHE A 105 11.162 -5.831 -6.756 1.00 0.79 C ATOM 1651 O PHE A 105 11.194 -6.897 -7.375 1.00 0.89 O ATOM 1652 CB PHE A 105 11.232 -6.072 -4.243 1.00 0.80 C ATOM 1653 CG PHE A 105 10.686 -5.705 -2.877 1.00 0.80 C ATOM 1654 CD1 PHE A 105 10.871 -4.407 -2.361 1.00 1.86 C ATOM 1655 CD2 PHE A 105 10.058 -6.684 -2.081 1.00 1.99 C ATOM 1656 CE1 PHE A 105 10.467 -4.100 -1.051 1.00 1.86 C ATOM 1657 CE2 PHE A 105 9.656 -6.377 -0.771 1.00 2.01 C ATOM 1658 CZ PHE A 105 9.865 -5.088 -0.253 1.00 0.88 C ATOM 0 H PHE A 105 9.374 -7.525 -5.482 1.00 0.67 H new ATOM 0 HA PHE A 105 10.060 -4.638 -5.372 1.00 0.74 H new ATOM 0 HB2 PHE A 105 11.392 -7.150 -4.270 1.00 0.80 H new ATOM 0 HB3 PHE A 105 12.208 -5.602 -4.360 1.00 0.80 H new ATOM 0 HD1 PHE A 105 11.326 -3.644 -2.976 1.00 1.86 H new ATOM 0 HD2 PHE A 105 9.886 -7.673 -2.480 1.00 1.99 H new ATOM 0 HE1 PHE A 105 10.619 -3.106 -0.658 1.00 1.86 H new ATOM 0 HE2 PHE A 105 9.185 -7.133 -0.161 1.00 2.01 H new ATOM 0 HZ PHE A 105 9.563 -4.856 0.758 1.00 0.88 H new ATOM 1668 N ALA A 106 11.845 -4.762 -7.181 1.00 0.91 N ATOM 1669 CA ALA A 106 12.516 -4.692 -8.484 1.00 0.91 C ATOM 1670 C ALA A 106 13.634 -5.740 -8.679 1.00 1.38 C ATOM 1671 O ALA A 106 14.454 -6.004 -7.793 1.00 2.04 O ATOM 1672 CB ALA A 106 13.059 -3.275 -8.697 1.00 1.27 C ATOM 0 H ALA A 106 11.948 -3.913 -6.625 1.00 0.91 H new ATOM 0 HA ALA A 106 11.765 -4.932 -9.237 1.00 0.91 H new ATOM 0 HB1 ALA A 106 13.559 -3.218 -9.664 1.00 1.27 H new ATOM 0 HB2 ALA A 106 12.235 -2.562 -8.672 1.00 1.27 H new ATOM 0 HB3 ALA A 106 13.770 -3.035 -7.907 1.00 1.27 H new ATOM 1678 N GLY A 107 13.695 -6.314 -9.888 1.00 1.78 N ATOM 1679 CA GLY A 107 14.738 -7.264 -10.288 1.00 2.56 C ATOM 1680 C GLY A 107 14.579 -8.640 -9.645 1.00 2.25 C ATOM 1681 O GLY A 107 15.557 -9.180 -9.137 1.00 3.20 O ATOM 0 H GLY A 107 13.013 -6.129 -10.623 1.00 1.78 H new ATOM 0 HA2 GLY A 107 14.724 -7.373 -11.372 1.00 2.56 H new ATOM 0 HA3 GLY A 107 15.713 -6.856 -10.021 1.00 2.56 H new ATOM 1685 N GLY A 108 13.356 -9.184 -9.639 1.00 1.31 N ATOM 1686 CA GLY A 108 13.101 -10.609 -9.385 1.00 1.36 C ATOM 1687 C GLY A 108 12.983 -11.019 -7.918 1.00 1.27 C ATOM 1688 O GLY A 108 13.419 -12.114 -7.579 1.00 1.72 O ATOM 0 H GLY A 108 12.508 -8.644 -9.812 1.00 1.31 H new ATOM 0 HA2 GLY A 108 12.179 -10.889 -9.895 1.00 1.36 H new ATOM 0 HA3 GLY A 108 13.905 -11.188 -9.840 1.00 1.36 H new ATOM 1692 N LYS A 109 12.409 -10.187 -7.037 1.00 0.87 N ATOM 1693 CA LYS A 109 12.116 -10.585 -5.651 1.00 0.85 C ATOM 1694 C LYS A 109 10.637 -10.433 -5.297 1.00 0.80 C ATOM 1695 O LYS A 109 9.985 -9.479 -5.720 1.00 0.85 O ATOM 1696 CB LYS A 109 12.944 -9.778 -4.643 1.00 0.98 C ATOM 1697 CG LYS A 109 14.449 -9.867 -4.885 1.00 1.16 C ATOM 1698 CD LYS A 109 14.935 -8.607 -5.623 1.00 1.76 C ATOM 1699 CE LYS A 109 16.346 -8.750 -6.197 1.00 2.47 C ATOM 1700 NZ LYS A 109 16.752 -7.498 -6.883 1.00 3.30 N ATOM 0 H LYS A 109 12.137 -9.230 -7.261 1.00 0.87 H new ATOM 0 HA LYS A 109 12.385 -11.639 -5.588 1.00 0.85 H new ATOM 0 HB2 LYS A 109 12.638 -8.733 -4.687 1.00 0.98 H new ATOM 0 HB3 LYS A 109 12.724 -10.133 -3.636 1.00 0.98 H new ATOM 0 HG2 LYS A 109 14.974 -9.968 -3.935 1.00 1.16 H new ATOM 0 HG3 LYS A 109 14.680 -10.755 -5.473 1.00 1.16 H new ATOM 0 HD2 LYS A 109 14.242 -8.378 -6.433 1.00 1.76 H new ATOM 0 HD3 LYS A 109 14.913 -7.761 -4.936 1.00 1.76 H new ATOM 0 HE2 LYS A 109 17.050 -8.979 -5.397 1.00 2.47 H new ATOM 0 HE3 LYS A 109 16.378 -9.584 -6.898 1.00 2.47 H new ATOM 0 HZ1 LYS A 109 17.326 -7.730 -7.719 1.00 3.30 H new ATOM 0 HZ2 LYS A 109 15.904 -6.974 -7.180 1.00 3.30 H new ATOM 0 HZ3 LYS A 109 17.311 -6.911 -6.232 1.00 3.30 H new ATOM 1714 N VAL A 110 10.162 -11.341 -4.450 1.00 0.83 N ATOM 1715 CA VAL A 110 8.793 -11.365 -3.922 1.00 0.83 C ATOM 1716 C VAL A 110 8.829 -11.842 -2.471 1.00 0.98 C ATOM 1717 O VAL A 110 9.632 -12.718 -2.143 1.00 1.15 O ATOM 1718 CB VAL A 110 7.856 -12.284 -4.751 1.00 0.92 C ATOM 1719 CG1 VAL A 110 6.427 -12.339 -4.175 1.00 2.04 C ATOM 1720 CG2 VAL A 110 7.795 -11.850 -6.226 1.00 1.93 C ATOM 0 H VAL A 110 10.735 -12.108 -4.098 1.00 0.83 H new ATOM 0 HA VAL A 110 8.391 -10.354 -3.986 1.00 0.83 H new ATOM 0 HB VAL A 110 8.288 -13.283 -4.690 1.00 0.92 H new ATOM 0 HG11 VAL A 110 5.811 -12.995 -4.791 1.00 2.04 H new ATOM 0 HG12 VAL A 110 6.460 -12.724 -3.156 1.00 2.04 H new ATOM 0 HG13 VAL A 110 5.998 -11.337 -4.171 1.00 2.04 H new ATOM 0 HG21 VAL A 110 7.130 -12.517 -6.774 1.00 1.93 H new ATOM 0 HG22 VAL A 110 7.419 -10.829 -6.290 1.00 1.93 H new ATOM 0 HG23 VAL A 110 8.794 -11.896 -6.660 1.00 1.93 H new ATOM 1730 N LEU A 111 7.982 -11.266 -1.613 1.00 0.97 N ATOM 1731 CA LEU A 111 7.914 -11.598 -0.191 1.00 1.13 C ATOM 1732 C LEU A 111 6.466 -11.553 0.312 1.00 1.13 C ATOM 1733 O LEU A 111 5.835 -10.504 0.273 1.00 1.07 O ATOM 1734 CB LEU A 111 8.838 -10.616 0.555 1.00 1.24 C ATOM 1735 CG LEU A 111 8.890 -10.770 2.089 1.00 1.61 C ATOM 1736 CD1 LEU A 111 9.262 -12.193 2.531 1.00 2.88 C ATOM 1737 CD2 LEU A 111 9.919 -9.775 2.638 1.00 1.70 C ATOM 0 H LEU A 111 7.316 -10.546 -1.893 1.00 0.97 H new ATOM 0 HA LEU A 111 8.254 -12.617 -0.008 1.00 1.13 H new ATOM 0 HB2 LEU A 111 9.849 -10.731 0.164 1.00 1.24 H new ATOM 0 HB3 LEU A 111 8.519 -9.600 0.322 1.00 1.24 H new ATOM 0 HG LEU A 111 7.894 -10.569 2.484 1.00 1.61 H new ATOM 0 HD11 LEU A 111 9.283 -12.242 3.620 1.00 2.88 H new ATOM 0 HD12 LEU A 111 8.522 -12.897 2.150 1.00 2.88 H new ATOM 0 HD13 LEU A 111 10.245 -12.451 2.137 1.00 2.88 H new ATOM 0 HD21 LEU A 111 9.972 -9.867 3.723 1.00 1.70 H new ATOM 0 HD22 LEU A 111 10.897 -9.989 2.208 1.00 1.70 H new ATOM 0 HD23 LEU A 111 9.621 -8.760 2.374 1.00 1.70 H new ATOM 1749 N LYS A 112 5.952 -12.678 0.815 1.00 1.58 N ATOM 1750 CA LYS A 112 4.596 -12.780 1.366 1.00 1.72 C ATOM 1751 C LYS A 112 4.584 -12.554 2.887 1.00 1.91 C ATOM 1752 O LYS A 112 5.282 -13.259 3.614 1.00 2.38 O ATOM 1753 CB LYS A 112 4.014 -14.150 0.979 1.00 1.96 C ATOM 1754 CG LYS A 112 2.483 -14.214 1.137 1.00 2.26 C ATOM 1755 CD LYS A 112 1.966 -14.761 2.473 1.00 2.03 C ATOM 1756 CE LYS A 112 2.296 -16.251 2.640 1.00 1.90 C ATOM 1757 NZ LYS A 112 1.241 -16.958 3.405 1.00 2.92 N ATOM 0 H LYS A 112 6.471 -13.555 0.852 1.00 1.58 H new ATOM 0 HA LYS A 112 3.969 -11.994 0.944 1.00 1.72 H new ATOM 0 HB2 LYS A 112 4.278 -14.373 -0.055 1.00 1.96 H new ATOM 0 HB3 LYS A 112 4.471 -14.922 1.598 1.00 1.96 H new ATOM 0 HG2 LYS A 112 2.081 -13.210 0.999 1.00 2.26 H new ATOM 0 HG3 LYS A 112 2.081 -14.832 0.334 1.00 2.26 H new ATOM 0 HD2 LYS A 112 2.408 -14.196 3.294 1.00 2.03 H new ATOM 0 HD3 LYS A 112 0.887 -14.618 2.532 1.00 2.03 H new ATOM 0 HE2 LYS A 112 2.407 -16.713 1.659 1.00 1.90 H new ATOM 0 HE3 LYS A 112 3.252 -16.358 3.152 1.00 1.90 H new ATOM 0 HZ1 LYS A 112 1.600 -17.882 3.719 1.00 2.92 H new ATOM 0 HZ2 LYS A 112 0.974 -16.390 4.234 1.00 2.92 H new ATOM 0 HZ3 LYS A 112 0.408 -17.098 2.799 1.00 2.92 H new ATOM 1771 N VAL A 113 3.768 -11.616 3.368 1.00 1.63 N ATOM 1772 CA VAL A 113 3.558 -11.301 4.797 1.00 1.82 C ATOM 1773 C VAL A 113 2.058 -11.047 5.066 1.00 1.39 C ATOM 1774 O VAL A 113 1.236 -11.310 4.191 1.00 1.43 O ATOM 1775 CB VAL A 113 4.465 -10.145 5.307 1.00 2.15 C ATOM 1776 CG1 VAL A 113 4.871 -10.434 6.766 1.00 3.13 C ATOM 1777 CG2 VAL A 113 5.766 -9.930 4.509 1.00 3.06 C ATOM 0 H VAL A 113 3.208 -11.025 2.754 1.00 1.63 H new ATOM 0 HA VAL A 113 3.865 -12.170 5.378 1.00 1.82 H new ATOM 0 HB VAL A 113 3.866 -9.241 5.192 1.00 2.15 H new ATOM 0 HG11 VAL A 113 5.507 -9.629 7.133 1.00 3.13 H new ATOM 0 HG12 VAL A 113 3.977 -10.501 7.386 1.00 3.13 H new ATOM 0 HG13 VAL A 113 5.416 -11.377 6.812 1.00 3.13 H new ATOM 0 HG21 VAL A 113 6.327 -9.103 4.944 1.00 3.06 H new ATOM 0 HG22 VAL A 113 6.370 -10.837 4.546 1.00 3.06 H new ATOM 0 HG23 VAL A 113 5.523 -9.698 3.472 1.00 3.06 H new ATOM 1787 N VAL A 114 1.674 -10.636 6.280 1.00 1.20 N ATOM 1788 CA VAL A 114 0.283 -10.579 6.762 1.00 1.07 C ATOM 1789 C VAL A 114 0.058 -9.269 7.528 1.00 0.97 C ATOM 1790 O VAL A 114 0.993 -8.725 8.113 1.00 1.18 O ATOM 1791 CB VAL A 114 -0.058 -11.800 7.662 1.00 1.31 C ATOM 1792 CG1 VAL A 114 -1.572 -11.911 7.926 1.00 2.09 C ATOM 1793 CG2 VAL A 114 0.418 -13.131 7.047 1.00 1.68 C ATOM 0 H VAL A 114 2.345 -10.322 6.981 1.00 1.20 H new ATOM 0 HA VAL A 114 -0.382 -10.613 5.899 1.00 1.07 H new ATOM 0 HB VAL A 114 0.470 -11.626 8.599 1.00 1.31 H new ATOM 0 HG11 VAL A 114 -1.769 -12.777 8.559 1.00 2.09 H new ATOM 0 HG12 VAL A 114 -1.921 -11.008 8.428 1.00 2.09 H new ATOM 0 HG13 VAL A 114 -2.099 -12.027 6.979 1.00 2.09 H new ATOM 0 HG21 VAL A 114 0.157 -13.953 7.713 1.00 1.68 H new ATOM 0 HG22 VAL A 114 -0.065 -13.279 6.081 1.00 1.68 H new ATOM 0 HG23 VAL A 114 1.499 -13.103 6.912 1.00 1.68 H new ATOM 1803 N LEU A 115 -1.181 -8.764 7.493 1.00 0.82 N ATOM 1804 CA LEU A 115 -1.643 -7.507 8.077 1.00 0.81 C ATOM 1805 C LEU A 115 -3.073 -7.706 8.639 1.00 0.77 C ATOM 1806 O LEU A 115 -3.876 -8.381 7.984 1.00 0.80 O ATOM 1807 CB LEU A 115 -1.711 -6.442 6.961 1.00 0.99 C ATOM 1808 CG LEU A 115 -0.423 -6.192 6.148 1.00 1.00 C ATOM 1809 CD1 LEU A 115 -0.786 -5.381 4.899 1.00 1.72 C ATOM 1810 CD2 LEU A 115 0.665 -5.467 6.949 1.00 1.95 C ATOM 0 H LEU A 115 -1.937 -9.261 7.022 1.00 0.82 H new ATOM 0 HA LEU A 115 -0.964 -7.195 8.870 1.00 0.81 H new ATOM 0 HB2 LEU A 115 -2.499 -6.731 6.266 1.00 0.99 H new ATOM 0 HB3 LEU A 115 -2.015 -5.498 7.413 1.00 0.99 H new ATOM 0 HG LEU A 115 -0.005 -7.162 5.878 1.00 1.00 H new ATOM 0 HD11 LEU A 115 0.113 -5.195 4.312 1.00 1.72 H new ATOM 0 HD12 LEU A 115 -1.503 -5.940 4.298 1.00 1.72 H new ATOM 0 HD13 LEU A 115 -1.227 -4.430 5.198 1.00 1.72 H new ATOM 0 HD21 LEU A 115 1.544 -5.322 6.321 1.00 1.95 H new ATOM 0 HD22 LEU A 115 0.290 -4.498 7.278 1.00 1.95 H new ATOM 0 HD23 LEU A 115 0.936 -6.065 7.819 1.00 1.95 H new ATOM 1822 N PRO A 116 -3.447 -7.083 9.770 1.00 0.74 N ATOM 1823 CA PRO A 116 -4.833 -7.021 10.223 1.00 0.73 C ATOM 1824 C PRO A 116 -5.677 -6.106 9.324 1.00 0.69 C ATOM 1825 O PRO A 116 -5.147 -5.261 8.602 1.00 0.76 O ATOM 1826 CB PRO A 116 -4.764 -6.487 11.658 1.00 0.80 C ATOM 1827 CG PRO A 116 -3.517 -5.604 11.631 1.00 0.72 C ATOM 1828 CD PRO A 116 -2.582 -6.369 10.698 1.00 0.72 C ATOM 0 HA PRO A 116 -5.315 -7.998 10.179 1.00 0.73 H new ATOM 0 HB2 PRO A 116 -5.656 -5.919 11.922 1.00 0.80 H new ATOM 0 HB3 PRO A 116 -4.673 -7.293 12.386 1.00 0.80 H new ATOM 0 HG2 PRO A 116 -3.737 -4.605 11.254 1.00 0.72 H new ATOM 0 HG3 PRO A 116 -3.086 -5.482 12.625 1.00 0.72 H new ATOM 0 HD2 PRO A 116 -1.916 -5.689 10.167 1.00 0.72 H new ATOM 0 HD3 PRO A 116 -1.952 -7.061 11.257 1.00 0.72 H new ATOM 1836 N VAL A 117 -7.002 -6.240 9.391 1.00 0.65 N ATOM 1837 CA VAL A 117 -7.931 -5.242 8.829 1.00 0.63 C ATOM 1838 C VAL A 117 -8.350 -4.242 9.909 1.00 0.69 C ATOM 1839 O VAL A 117 -8.944 -4.619 10.920 1.00 0.74 O ATOM 1840 CB VAL A 117 -9.173 -5.863 8.159 1.00 0.69 C ATOM 1841 CG1 VAL A 117 -10.156 -4.796 7.633 1.00 0.89 C ATOM 1842 CG2 VAL A 117 -8.769 -6.733 6.959 1.00 0.76 C ATOM 0 H VAL A 117 -7.465 -7.035 9.832 1.00 0.65 H new ATOM 0 HA VAL A 117 -7.386 -4.726 8.039 1.00 0.63 H new ATOM 0 HB VAL A 117 -9.659 -6.457 8.933 1.00 0.69 H new ATOM 0 HG11 VAL A 117 -11.013 -5.287 7.171 1.00 0.89 H new ATOM 0 HG12 VAL A 117 -10.497 -4.175 8.462 1.00 0.89 H new ATOM 0 HG13 VAL A 117 -9.654 -4.171 6.894 1.00 0.89 H new ATOM 0 HG21 VAL A 117 -9.662 -7.160 6.503 1.00 0.76 H new ATOM 0 HG22 VAL A 117 -8.244 -6.120 6.226 1.00 0.76 H new ATOM 0 HG23 VAL A 117 -8.114 -7.536 7.296 1.00 0.76 H new ATOM 1852 N GLU A 118 -8.090 -2.958 9.648 1.00 0.86 N ATOM 1853 CA GLU A 118 -8.426 -1.811 10.501 1.00 1.01 C ATOM 1854 C GLU A 118 -9.275 -0.781 9.723 1.00 1.09 C ATOM 1855 O GLU A 118 -9.440 -0.863 8.499 1.00 1.15 O ATOM 1856 CB GLU A 118 -7.127 -1.221 11.096 1.00 1.31 C ATOM 1857 CG GLU A 118 -7.103 -1.256 12.630 1.00 1.88 C ATOM 1858 CD GLU A 118 -5.723 -0.968 13.250 1.00 3.39 C ATOM 1859 OE1 GLU A 118 -4.724 -0.905 12.502 1.00 4.49 O ATOM 1860 OE2 GLU A 118 -5.696 -0.837 14.495 1.00 4.33 O ATOM 0 H GLU A 118 -7.615 -2.674 8.791 1.00 0.86 H new ATOM 0 HA GLU A 118 -9.047 -2.131 11.338 1.00 1.01 H new ATOM 0 HB2 GLU A 118 -6.272 -1.777 10.712 1.00 1.31 H new ATOM 0 HB3 GLU A 118 -7.014 -0.190 10.759 1.00 1.31 H new ATOM 0 HG2 GLU A 118 -7.818 -0.526 13.009 1.00 1.88 H new ATOM 0 HG3 GLU A 118 -7.441 -2.237 12.965 1.00 1.88 H new ATOM 1867 N ALA A 119 -9.911 0.147 10.445 1.00 1.37 N ATOM 1868 CA ALA A 119 -11.131 0.823 9.995 1.00 1.35 C ATOM 1869 C ALA A 119 -11.040 2.363 9.976 1.00 1.62 C ATOM 1870 O ALA A 119 -11.767 3.025 10.723 1.00 2.28 O ATOM 1871 CB ALA A 119 -12.294 0.285 10.847 1.00 1.65 C ATOM 0 H ALA A 119 -9.591 0.452 11.364 1.00 1.37 H new ATOM 0 HA ALA A 119 -11.299 0.591 8.943 1.00 1.35 H new ATOM 0 HB1 ALA A 119 -13.223 0.766 10.540 1.00 1.65 H new ATOM 0 HB2 ALA A 119 -12.380 -0.792 10.706 1.00 1.65 H new ATOM 0 HB3 ALA A 119 -12.104 0.499 11.899 1.00 1.65 H new ATOM 1877 N ARG A 120 -10.202 2.890 9.061 1.00 2.03 N ATOM 1878 CA ARG A 120 -9.950 4.272 8.597 1.00 2.44 C ATOM 1879 C ARG A 120 -8.682 4.398 7.753 1.00 3.49 C ATOM 1880 O ARG A 120 -8.114 3.340 7.404 1.00 4.44 O ATOM 1881 CB ARG A 120 -10.061 5.299 9.718 1.00 3.14 C ATOM 1882 CG ARG A 120 -11.510 5.789 9.736 1.00 4.26 C ATOM 1883 CD ARG A 120 -11.941 6.348 11.095 1.00 5.48 C ATOM 1884 NE ARG A 120 -13.352 6.007 11.354 1.00 6.41 N ATOM 1885 CZ ARG A 120 -14.397 6.806 11.398 1.00 7.34 C ATOM 1886 NH1 ARG A 120 -14.291 8.102 11.331 1.00 7.63 N ATOM 1887 NH2 ARG A 120 -15.591 6.302 11.510 1.00 8.51 N ATOM 1888 OXT ARG A 120 -8.469 5.509 7.211 1.00 4.02 O ATOM 0 H ARG A 120 -9.590 2.254 8.550 1.00 2.03 H new ATOM 0 HA ARG A 120 -10.760 4.518 7.911 1.00 2.44 H new ATOM 0 HB2 ARG A 120 -9.793 4.854 10.676 1.00 3.14 H new ATOM 0 HB3 ARG A 120 -9.375 6.129 9.549 1.00 3.14 H new ATOM 0 HG2 ARG A 120 -11.635 6.561 8.977 1.00 4.26 H new ATOM 0 HG3 ARG A 120 -12.169 4.964 9.464 1.00 4.26 H new ATOM 0 HD2 ARG A 120 -11.309 5.939 11.883 1.00 5.48 H new ATOM 0 HD3 ARG A 120 -11.811 7.430 11.111 1.00 5.48 H new ATOM 0 HE ARG A 120 -13.544 5.019 11.522 1.00 6.41 H new ATOM 0 HH11 ARG A 120 -13.372 8.535 11.241 1.00 7.63 H new ATOM 0 HH12 ARG A 120 -15.127 8.685 11.369 1.00 7.63 H new ATOM 0 HH21 ARG A 120 -15.715 5.291 11.563 1.00 8.51 H new ATOM 0 HH22 ARG A 120 -16.403 6.918 11.544 1.00 8.51 H new TER 1902 ARG A 120 HETATM 1903 CU CU1 A 121 -6.250 4.976 -3.751 1.00 0.70 CU