USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 970 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 46 HIS HD1 : A 46 HIS ND1 : A 121 CU1CU :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 121 CU1CU :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 160:sc= 0.688 (180deg=0.168) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 89:sc= 1.27 USER MOD Single : A 11 SER OG : rot -155:sc= 1.46 USER MOD Single : A 15 ASN : amide:sc= -0.0755 K(o=-0.075,f=-1.5) USER MOD Single : A 19 TYR OH : rot 30:sc= 0.461 USER MOD Single : A 21 THR OG1 : rot -132:sc= -0.48 USER MOD Single : A 24 ASN : amide:sc= -0.0141 K(o=-0.014,f=-3.8!) USER MOD Single : A 37 THR OG1 : rot 102:sc= 0.272 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0518 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -154:sc= 2.12 (180deg=0.218) USER MOD Single : A 57 LYS NZ :NH3+ -169:sc= 1.1 (180deg=0.533) USER MOD Single : A 59 MET CE :methyl -138:sc= 0 (180deg=-0.00245) USER MOD Single : A 61 MET CE :methyl -170:sc=-0.00646 (180deg=-0.149) USER MOD Single : A 72 LYS NZ :NH3+ 156:sc= -0.308 (180deg=-0.489!) USER MOD Single : A 78 LYS NZ :NH3+ -146:sc= 1.23 (180deg=0.44) 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+ -173:sc= 1.21 (180deg=1.19) USER MOD Single : A 94 LYS NZ :NH3+ -162:sc= 0.278 (180deg=-0.57) USER MOD Single : A 109 LYS NZ :NH3+ -134:sc= 1.16 (180deg=-0.0914) USER MOD Single : A 112 LYS NZ :NH3+ 144:sc= 0.925 (180deg=-0.944!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.393 -3.978 11.570 1.00 8.96 N ATOM 2 CA GLY A 1 7.331 -4.623 12.357 1.00 8.89 C ATOM 3 C GLY A 1 7.202 -3.961 13.717 1.00 7.91 C ATOM 4 O GLY A 1 8.146 -3.302 14.153 1.00 7.85 O ATOM 0 H1 GLY A 1 8.703 -4.620 10.813 1.00 8.96 H new ATOM 0 H2 GLY A 1 8.029 -3.099 11.150 1.00 8.96 H new ATOM 0 H3 GLY A 1 9.199 -3.758 12.189 1.00 8.96 H new ATOM 0 HA2 GLY A 1 6.383 -4.558 11.823 1.00 8.89 H new ATOM 0 HA3 GLY A 1 7.555 -5.683 12.481 1.00 8.89 H new ATOM 10 N SER A 2 6.073 -4.144 14.403 1.00 7.58 N ATOM 11 CA SER A 2 5.707 -3.628 15.751 1.00 6.98 C ATOM 12 C SER A 2 4.935 -2.295 15.653 1.00 6.13 C ATOM 13 O SER A 2 4.004 -2.181 14.862 1.00 6.49 O ATOM 14 CB SER A 2 6.894 -3.541 16.741 1.00 7.46 C ATOM 15 OG SER A 2 7.701 -4.701 16.728 1.00 8.27 O ATOM 0 H SER A 2 5.317 -4.703 14.008 1.00 7.58 H new ATOM 0 HA SER A 2 5.039 -4.375 16.180 1.00 6.98 H new ATOM 0 HB2 SER A 2 7.507 -2.674 16.492 1.00 7.46 H new ATOM 0 HB3 SER A 2 6.510 -3.381 17.749 1.00 7.46 H new ATOM 0 HG SER A 2 8.436 -4.595 17.368 1.00 8.27 H new ATOM 21 N PHE A 3 5.314 -1.243 16.397 1.00 5.84 N ATOM 22 CA PHE A 3 4.810 0.132 16.221 1.00 5.89 C ATOM 23 C PHE A 3 5.469 0.822 15.008 1.00 5.32 C ATOM 24 O PHE A 3 5.920 1.966 15.071 1.00 6.08 O ATOM 25 CB PHE A 3 4.975 0.893 17.542 1.00 6.97 C ATOM 26 CG PHE A 3 4.068 0.374 18.644 1.00 7.71 C ATOM 27 CD1 PHE A 3 2.778 0.912 18.791 1.00 8.30 C ATOM 28 CD2 PHE A 3 4.495 -0.663 19.496 1.00 8.42 C ATOM 29 CE1 PHE A 3 1.932 0.448 19.817 1.00 9.39 C ATOM 30 CE2 PHE A 3 3.650 -1.125 20.521 1.00 9.61 C ATOM 31 CZ PHE A 3 2.370 -0.563 20.687 1.00 10.00 C ATOM 0 H PHE A 3 5.993 -1.325 17.154 1.00 5.84 H new ATOM 0 HA PHE A 3 3.746 0.118 15.984 1.00 5.89 H new ATOM 0 HB2 PHE A 3 6.012 0.821 17.869 1.00 6.97 H new ATOM 0 HB3 PHE A 3 4.766 1.950 17.375 1.00 6.97 H new ATOM 0 HD1 PHE A 3 2.435 1.682 18.116 1.00 8.30 H new ATOM 0 HD2 PHE A 3 5.472 -1.104 19.362 1.00 8.42 H new ATOM 0 HE1 PHE A 3 0.945 0.871 19.935 1.00 9.39 H new ATOM 0 HE2 PHE A 3 3.983 -1.912 21.181 1.00 9.61 H new ATOM 0 HZ PHE A 3 1.726 -0.909 21.482 1.00 10.00 H new ATOM 41 N THR A 4 5.522 0.055 13.917 1.00 4.43 N ATOM 42 CA THR A 4 6.327 0.144 12.691 1.00 4.27 C ATOM 43 C THR A 4 5.807 -0.970 11.784 1.00 2.89 C ATOM 44 O THR A 4 6.538 -1.875 11.388 1.00 3.22 O ATOM 45 CB THR A 4 7.852 0.065 12.951 1.00 5.56 C ATOM 46 OG1 THR A 4 8.156 -0.566 14.178 1.00 6.06 O ATOM 47 CG2 THR A 4 8.482 1.455 12.981 1.00 7.25 C ATOM 0 H THR A 4 4.913 -0.762 13.865 1.00 4.43 H new ATOM 0 HA THR A 4 6.215 1.119 12.217 1.00 4.27 H new ATOM 0 HB THR A 4 8.259 -0.523 12.129 1.00 5.56 H new ATOM 0 HG1 THR A 4 8.234 -1.533 14.038 1.00 6.06 H new ATOM 0 HG21 THR A 4 9.553 1.365 13.165 1.00 7.25 H new ATOM 0 HG22 THR A 4 8.319 1.949 12.023 1.00 7.25 H new ATOM 0 HG23 THR A 4 8.025 2.044 13.776 1.00 7.25 H new ATOM 55 N GLU A 5 4.492 -0.966 11.562 1.00 2.03 N ATOM 56 CA GLU A 5 3.738 -2.001 10.860 1.00 1.18 C ATOM 57 C GLU A 5 2.457 -1.386 10.271 1.00 1.06 C ATOM 58 O GLU A 5 2.056 -0.291 10.669 1.00 1.69 O ATOM 59 CB GLU A 5 3.459 -3.186 11.791 1.00 1.96 C ATOM 60 CG GLU A 5 3.398 -4.522 11.043 1.00 3.17 C ATOM 61 CD GLU A 5 3.574 -5.688 12.013 1.00 4.31 C ATOM 62 OE1 GLU A 5 4.670 -5.750 12.621 1.00 4.73 O ATOM 63 OE2 GLU A 5 2.627 -6.484 12.150 1.00 5.36 O ATOM 0 H GLU A 5 3.896 -0.203 11.883 1.00 2.03 H new ATOM 0 HA GLU A 5 4.324 -2.396 10.030 1.00 1.18 H new ATOM 0 HB2 GLU A 5 4.237 -3.236 12.553 1.00 1.96 H new ATOM 0 HB3 GLU A 5 2.515 -3.021 12.310 1.00 1.96 H new ATOM 0 HG2 GLU A 5 2.443 -4.613 10.526 1.00 3.17 H new ATOM 0 HG3 GLU A 5 4.177 -4.555 10.281 1.00 3.17 H new ATOM 70 N GLY A 6 1.854 -2.049 9.283 1.00 0.94 N ATOM 71 CA GLY A 6 0.800 -1.471 8.444 1.00 0.88 C ATOM 72 C GLY A 6 -0.569 -2.093 8.677 1.00 0.72 C ATOM 73 O GLY A 6 -0.715 -3.012 9.475 1.00 0.79 O ATOM 0 H GLY A 6 2.085 -3.012 9.039 1.00 0.94 H new ATOM 0 HA2 GLY A 6 0.741 -0.399 8.635 1.00 0.88 H new ATOM 0 HA3 GLY A 6 1.073 -1.593 7.396 1.00 0.88 H new ATOM 77 N TRP A 7 -1.566 -1.625 7.925 1.00 0.65 N ATOM 78 CA TRP A 7 -2.932 -2.148 7.954 1.00 0.59 C ATOM 79 C TRP A 7 -3.656 -1.950 6.616 1.00 0.55 C ATOM 80 O TRP A 7 -3.312 -1.062 5.839 1.00 0.64 O ATOM 81 CB TRP A 7 -3.719 -1.543 9.127 1.00 0.66 C ATOM 82 CG TRP A 7 -4.043 -0.080 9.037 1.00 0.65 C ATOM 83 CD1 TRP A 7 -5.238 0.434 8.671 1.00 0.75 C ATOM 84 CD2 TRP A 7 -3.198 1.070 9.359 1.00 0.91 C ATOM 85 NE1 TRP A 7 -5.203 1.810 8.768 1.00 1.05 N ATOM 86 CE2 TRP A 7 -3.964 2.260 9.172 1.00 1.19 C ATOM 87 CE3 TRP A 7 -1.868 1.231 9.810 1.00 1.07 C ATOM 88 CZ2 TRP A 7 -3.440 3.539 9.420 1.00 1.61 C ATOM 89 CZ3 TRP A 7 -1.325 2.510 10.041 1.00 1.47 C ATOM 90 CH2 TRP A 7 -2.108 3.662 9.851 1.00 1.73 C ATOM 0 H TRP A 7 -1.444 -0.856 7.266 1.00 0.65 H new ATOM 0 HA TRP A 7 -2.870 -3.225 8.111 1.00 0.59 H new ATOM 0 HB2 TRP A 7 -4.654 -2.093 9.229 1.00 0.66 H new ATOM 0 HB3 TRP A 7 -3.149 -1.710 10.041 1.00 0.66 H new ATOM 0 HD1 TRP A 7 -6.092 -0.145 8.351 1.00 0.75 H new ATOM 0 HE1 TRP A 7 -5.996 2.419 8.566 1.00 1.05 H new ATOM 0 HE3 TRP A 7 -1.257 0.357 9.981 1.00 1.07 H new ATOM 0 HZ2 TRP A 7 -4.053 4.417 9.281 1.00 1.61 H new ATOM 0 HZ3 TRP A 7 -0.300 2.606 10.366 1.00 1.47 H new ATOM 0 HH2 TRP A 7 -1.687 4.639 10.036 1.00 1.73 H new ATOM 101 N VAL A 8 -4.654 -2.784 6.325 1.00 0.63 N ATOM 102 CA VAL A 8 -5.569 -2.638 5.176 1.00 0.67 C ATOM 103 C VAL A 8 -6.768 -1.804 5.630 1.00 0.72 C ATOM 104 O VAL A 8 -7.187 -1.919 6.781 1.00 0.83 O ATOM 105 CB VAL A 8 -6.036 -4.008 4.623 1.00 0.73 C ATOM 106 CG1 VAL A 8 -6.919 -3.855 3.372 1.00 0.94 C ATOM 107 CG2 VAL A 8 -4.856 -4.932 4.282 1.00 0.76 C ATOM 0 H VAL A 8 -4.860 -3.605 6.894 1.00 0.63 H new ATOM 0 HA VAL A 8 -5.041 -2.142 4.362 1.00 0.67 H new ATOM 0 HB VAL A 8 -6.621 -4.460 5.424 1.00 0.73 H new ATOM 0 HG11 VAL A 8 -7.223 -4.840 3.019 1.00 0.94 H new ATOM 0 HG12 VAL A 8 -7.804 -3.269 3.621 1.00 0.94 H new ATOM 0 HG13 VAL A 8 -6.356 -3.347 2.589 1.00 0.94 H new ATOM 0 HG21 VAL A 8 -5.235 -5.879 3.898 1.00 0.76 H new ATOM 0 HG22 VAL A 8 -4.230 -4.459 3.526 1.00 0.76 H new ATOM 0 HG23 VAL A 8 -4.265 -5.114 5.180 1.00 0.76 H new ATOM 117 N ARG A 9 -7.323 -0.962 4.752 1.00 0.72 N ATOM 118 CA ARG A 9 -8.534 -0.196 5.056 1.00 0.79 C ATOM 119 C ARG A 9 -9.796 -1.044 4.836 1.00 0.88 C ATOM 120 O ARG A 9 -10.004 -1.591 3.754 1.00 1.89 O ATOM 121 CB ARG A 9 -8.586 1.090 4.215 1.00 0.97 C ATOM 122 CG ARG A 9 -9.655 2.085 4.709 1.00 1.29 C ATOM 123 CD ARG A 9 -9.356 2.721 6.076 1.00 2.68 C ATOM 124 NE ARG A 9 -8.387 3.827 5.964 1.00 3.24 N ATOM 125 CZ ARG A 9 -7.999 4.650 6.930 1.00 4.92 C ATOM 126 NH1 ARG A 9 -8.379 4.517 8.174 1.00 6.28 N ATOM 127 NH2 ARG A 9 -7.192 5.650 6.653 1.00 5.79 N ATOM 0 H ARG A 9 -6.948 -0.794 3.818 1.00 0.72 H new ATOM 0 HA ARG A 9 -8.500 0.084 6.109 1.00 0.79 H new ATOM 0 HB2 ARG A 9 -7.609 1.573 4.237 1.00 0.97 H new ATOM 0 HB3 ARG A 9 -8.790 0.831 3.176 1.00 0.97 H new ATOM 0 HG2 ARG A 9 -9.763 2.879 3.970 1.00 1.29 H new ATOM 0 HG3 ARG A 9 -10.614 1.569 4.765 1.00 1.29 H new ATOM 0 HD2 ARG A 9 -10.282 3.092 6.515 1.00 2.68 H new ATOM 0 HD3 ARG A 9 -8.964 1.961 6.753 1.00 2.68 H new ATOM 0 HE ARG A 9 -7.970 3.975 5.045 1.00 3.24 H new ATOM 0 HH11 ARG A 9 -9.002 3.754 8.438 1.00 6.28 H new ATOM 0 HH12 ARG A 9 -8.053 5.177 8.880 1.00 6.28 H new ATOM 0 HH21 ARG A 9 -6.865 5.792 5.697 1.00 5.79 H new ATOM 0 HH22 ARG A 9 -6.892 6.284 7.394 1.00 5.79 H new ATOM 141 N PHE A 10 -10.652 -1.048 5.861 1.00 0.78 N ATOM 142 CA PHE A 10 -12.006 -1.601 5.877 1.00 0.77 C ATOM 143 C PHE A 10 -12.786 -1.296 4.589 1.00 0.77 C ATOM 144 O PHE A 10 -12.870 -0.143 4.170 1.00 1.06 O ATOM 145 CB PHE A 10 -12.731 -1.000 7.099 1.00 1.05 C ATOM 146 CG PHE A 10 -14.222 -1.283 7.198 1.00 1.00 C ATOM 147 CD1 PHE A 10 -15.139 -0.619 6.358 1.00 1.70 C ATOM 148 CD2 PHE A 10 -14.702 -2.211 8.139 1.00 1.70 C ATOM 149 CE1 PHE A 10 -16.500 -0.963 6.376 1.00 1.72 C ATOM 150 CE2 PHE A 10 -16.068 -2.540 8.178 1.00 1.91 C ATOM 151 CZ PHE A 10 -16.963 -1.933 7.280 1.00 1.37 C ATOM 0 H PHE A 10 -10.400 -0.638 6.760 1.00 0.78 H new ATOM 0 HA PHE A 10 -11.948 -2.688 5.941 1.00 0.77 H new ATOM 0 HB2 PHE A 10 -12.250 -1.375 8.002 1.00 1.05 H new ATOM 0 HB3 PHE A 10 -12.587 0.080 7.086 1.00 1.05 H new ATOM 0 HD1 PHE A 10 -14.792 0.160 5.696 1.00 1.70 H new ATOM 0 HD2 PHE A 10 -14.018 -2.673 8.835 1.00 1.70 H new ATOM 0 HE1 PHE A 10 -17.189 -0.483 5.697 1.00 1.72 H new ATOM 0 HE2 PHE A 10 -16.430 -3.259 8.898 1.00 1.91 H new ATOM 0 HZ PHE A 10 -18.006 -2.212 7.285 1.00 1.37 H new ATOM 161 N SER A 11 -13.449 -2.315 4.042 1.00 0.90 N ATOM 162 CA SER A 11 -14.428 -2.225 2.955 1.00 1.29 C ATOM 163 C SER A 11 -15.085 -3.597 2.702 1.00 1.71 C ATOM 164 O SER A 11 -14.363 -4.572 2.491 1.00 1.93 O ATOM 165 CB SER A 11 -13.758 -1.760 1.656 1.00 1.54 C ATOM 166 OG SER A 11 -14.686 -1.778 0.587 1.00 2.73 O ATOM 0 H SER A 11 -13.312 -3.274 4.360 1.00 0.90 H new ATOM 0 HA SER A 11 -15.186 -1.502 3.256 1.00 1.29 H new ATOM 0 HB2 SER A 11 -13.361 -0.753 1.784 1.00 1.54 H new ATOM 0 HB3 SER A 11 -12.913 -2.408 1.423 1.00 1.54 H new ATOM 0 HG SER A 11 -14.205 -1.873 -0.262 1.00 2.73 H new ATOM 172 N PRO A 12 -16.430 -3.699 2.696 1.00 2.07 N ATOM 173 CA PRO A 12 -17.158 -4.872 2.222 1.00 2.50 C ATOM 174 C PRO A 12 -17.464 -4.805 0.711 1.00 2.29 C ATOM 175 O PRO A 12 -18.166 -5.671 0.194 1.00 3.01 O ATOM 176 CB PRO A 12 -18.444 -4.860 3.054 1.00 3.06 C ATOM 177 CG PRO A 12 -18.754 -3.366 3.150 1.00 2.90 C ATOM 178 CD PRO A 12 -17.368 -2.727 3.240 1.00 2.31 C ATOM 0 HA PRO A 12 -16.580 -5.788 2.341 1.00 2.50 H new ATOM 0 HB2 PRO A 12 -19.248 -5.412 2.568 1.00 3.06 H new ATOM 0 HB3 PRO A 12 -18.297 -5.309 4.036 1.00 3.06 H new ATOM 0 HG2 PRO A 12 -19.305 -3.012 2.278 1.00 2.90 H new ATOM 0 HG3 PRO A 12 -19.361 -3.136 4.026 1.00 2.90 H new ATOM 0 HD2 PRO A 12 -17.333 -1.795 2.675 1.00 2.31 H new ATOM 0 HD3 PRO A 12 -17.119 -2.483 4.273 1.00 2.31 H new ATOM 186 N GLY A 13 -16.995 -3.760 0.010 1.00 1.46 N ATOM 187 CA GLY A 13 -17.310 -3.488 -1.395 1.00 1.28 C ATOM 188 C GLY A 13 -16.327 -4.150 -2.370 1.00 1.10 C ATOM 189 O GLY A 13 -15.476 -4.927 -1.952 1.00 1.34 O ATOM 0 H GLY A 13 -16.370 -3.065 0.419 1.00 1.46 H new ATOM 0 HA2 GLY A 13 -18.319 -3.840 -1.610 1.00 1.28 H new ATOM 0 HA3 GLY A 13 -17.307 -2.411 -1.560 1.00 1.28 H new ATOM 193 N PRO A 14 -16.421 -3.850 -3.680 1.00 0.94 N ATOM 194 CA PRO A 14 -15.578 -4.474 -4.700 1.00 1.04 C ATOM 195 C PRO A 14 -14.100 -4.067 -4.596 1.00 0.85 C ATOM 196 O PRO A 14 -13.237 -4.798 -5.083 1.00 1.01 O ATOM 197 CB PRO A 14 -16.187 -4.043 -6.037 1.00 1.24 C ATOM 198 CG PRO A 14 -16.882 -2.719 -5.718 1.00 1.16 C ATOM 199 CD PRO A 14 -17.368 -2.923 -4.285 1.00 1.01 C ATOM 0 HA PRO A 14 -15.565 -5.557 -4.579 1.00 1.04 H new ATOM 0 HB2 PRO A 14 -15.421 -3.917 -6.802 1.00 1.24 H new ATOM 0 HB3 PRO A 14 -16.893 -4.784 -6.411 1.00 1.24 H new ATOM 0 HG2 PRO A 14 -16.197 -1.875 -5.796 1.00 1.16 H new ATOM 0 HG3 PRO A 14 -17.709 -2.522 -6.401 1.00 1.16 H new ATOM 0 HD2 PRO A 14 -17.394 -1.979 -3.741 1.00 1.01 H new ATOM 0 HD3 PRO A 14 -18.380 -3.329 -4.268 1.00 1.01 H new ATOM 207 N ASN A 15 -13.801 -2.921 -3.976 1.00 0.69 N ATOM 208 CA ASN A 15 -12.472 -2.381 -3.807 1.00 0.64 C ATOM 209 C ASN A 15 -12.159 -1.906 -2.367 1.00 0.61 C ATOM 210 O ASN A 15 -13.038 -1.770 -1.511 1.00 0.92 O ATOM 211 CB ASN A 15 -12.330 -1.249 -4.832 1.00 0.83 C ATOM 212 CG ASN A 15 -13.371 -0.141 -4.695 1.00 1.22 C ATOM 213 OD1 ASN A 15 -13.554 0.443 -3.640 1.00 2.24 O ATOM 214 ND2 ASN A 15 -14.093 0.177 -5.757 1.00 1.53 N ATOM 0 H ASN A 15 -14.520 -2.327 -3.564 1.00 0.69 H new ATOM 0 HA ASN A 15 -11.738 -3.169 -3.977 1.00 0.64 H new ATOM 0 HB2 ASN A 15 -11.336 -0.811 -4.737 1.00 0.83 H new ATOM 0 HB3 ASN A 15 -12.397 -1.672 -5.834 1.00 0.83 H new ATOM 0 HD21 ASN A 15 -14.800 0.909 -5.692 1.00 1.53 H new ATOM 0 HD22 ASN A 15 -13.942 -0.310 -6.641 1.00 1.53 H new ATOM 221 N ALA A 16 -10.868 -1.653 -2.129 1.00 0.44 N ATOM 222 CA ALA A 16 -10.240 -1.192 -0.890 1.00 0.42 C ATOM 223 C ALA A 16 -8.883 -0.505 -1.182 1.00 0.39 C ATOM 224 O ALA A 16 -8.516 -0.292 -2.341 1.00 0.37 O ATOM 225 CB ALA A 16 -10.125 -2.376 0.089 1.00 0.53 C ATOM 0 H ALA A 16 -10.175 -1.778 -2.867 1.00 0.44 H new ATOM 0 HA ALA A 16 -10.860 -0.432 -0.415 1.00 0.42 H new ATOM 0 HB1 ALA A 16 -9.658 -2.039 1.014 1.00 0.53 H new ATOM 0 HB2 ALA A 16 -11.119 -2.767 0.306 1.00 0.53 H new ATOM 0 HB3 ALA A 16 -9.517 -3.161 -0.360 1.00 0.53 H new ATOM 231 N ALA A 17 -8.140 -0.143 -0.133 1.00 0.44 N ATOM 232 CA ALA A 17 -6.778 0.403 -0.206 1.00 0.42 C ATOM 233 C ALA A 17 -5.953 -0.060 1.016 1.00 0.51 C ATOM 234 O ALA A 17 -6.524 -0.227 2.091 1.00 0.71 O ATOM 235 CB ALA A 17 -6.869 1.934 -0.251 1.00 0.53 C ATOM 0 H ALA A 17 -8.480 -0.224 0.825 1.00 0.44 H new ATOM 0 HA ALA A 17 -6.277 0.041 -1.104 1.00 0.42 H new ATOM 0 HB1 ALA A 17 -5.866 2.357 -0.305 1.00 0.53 H new ATOM 0 HB2 ALA A 17 -7.439 2.239 -1.128 1.00 0.53 H new ATOM 0 HB3 ALA A 17 -7.367 2.296 0.649 1.00 0.53 H new ATOM 241 N ALA A 18 -4.632 -0.242 0.897 1.00 0.46 N ATOM 242 CA ALA A 18 -3.781 -0.806 1.962 1.00 0.50 C ATOM 243 C ALA A 18 -2.505 0.008 2.253 1.00 0.44 C ATOM 244 O ALA A 18 -1.888 0.554 1.337 1.00 0.44 O ATOM 245 CB ALA A 18 -3.436 -2.254 1.585 1.00 0.55 C ATOM 0 H ALA A 18 -4.115 -0.001 0.052 1.00 0.46 H new ATOM 0 HA ALA A 18 -4.349 -0.767 2.892 1.00 0.50 H new ATOM 0 HB1 ALA A 18 -2.806 -2.691 2.360 1.00 0.55 H new ATOM 0 HB2 ALA A 18 -4.354 -2.835 1.493 1.00 0.55 H new ATOM 0 HB3 ALA A 18 -2.903 -2.265 0.635 1.00 0.55 H new ATOM 251 N TYR A 19 -2.097 0.046 3.526 1.00 0.50 N ATOM 252 CA TYR A 19 -1.028 0.896 4.085 1.00 0.53 C ATOM 253 C TYR A 19 0.159 0.078 4.648 1.00 0.68 C ATOM 254 O TYR A 19 0.606 0.296 5.773 1.00 1.61 O ATOM 255 CB TYR A 19 -1.647 1.784 5.180 1.00 0.61 C ATOM 256 CG TYR A 19 -2.914 2.513 4.785 1.00 0.82 C ATOM 257 CD1 TYR A 19 -2.913 3.467 3.749 1.00 1.87 C ATOM 258 CD2 TYR A 19 -4.104 2.223 5.470 1.00 2.11 C ATOM 259 CE1 TYR A 19 -4.105 4.141 3.407 1.00 2.07 C ATOM 260 CE2 TYR A 19 -5.290 2.895 5.142 1.00 2.44 C ATOM 261 CZ TYR A 19 -5.300 3.861 4.112 1.00 1.71 C ATOM 262 OH TYR A 19 -6.450 4.532 3.818 1.00 2.20 O ATOM 0 H TYR A 19 -2.525 -0.547 4.238 1.00 0.50 H new ATOM 0 HA TYR A 19 -0.613 1.505 3.282 1.00 0.53 H new ATOM 0 HB2 TYR A 19 -1.861 1.163 6.050 1.00 0.61 H new ATOM 0 HB3 TYR A 19 -0.905 2.521 5.489 1.00 0.61 H new ATOM 0 HD1 TYR A 19 -1.999 3.683 3.216 1.00 1.87 H new ATOM 0 HD2 TYR A 19 -4.106 1.479 6.253 1.00 2.11 H new ATOM 0 HE1 TYR A 19 -4.105 4.869 2.609 1.00 2.07 H new ATOM 0 HE2 TYR A 19 -6.200 2.673 5.680 1.00 2.44 H new ATOM 0 HH TYR A 19 -6.447 4.786 2.872 1.00 2.20 H new ATOM 272 N LEU A 20 0.592 -0.957 3.922 1.00 1.14 N ATOM 273 CA LEU A 20 1.559 -1.958 4.405 1.00 1.26 C ATOM 274 C LEU A 20 2.984 -1.416 4.613 1.00 1.24 C ATOM 275 O LEU A 20 3.342 -0.370 4.077 1.00 1.12 O ATOM 276 CB LEU A 20 1.509 -3.182 3.482 1.00 1.42 C ATOM 277 CG LEU A 20 2.039 -2.934 2.057 1.00 1.40 C ATOM 278 CD1 LEU A 20 3.469 -3.455 1.880 1.00 1.85 C ATOM 279 CD2 LEU A 20 1.100 -3.623 1.069 1.00 2.20 C ATOM 0 H LEU A 20 0.278 -1.129 2.967 1.00 1.14 H new ATOM 0 HA LEU A 20 1.259 -2.254 5.410 1.00 1.26 H new ATOM 0 HB2 LEU A 20 2.088 -3.986 3.936 1.00 1.42 H new ATOM 0 HB3 LEU A 20 0.478 -3.529 3.416 1.00 1.42 H new ATOM 0 HG LEU A 20 2.068 -1.860 1.874 1.00 1.40 H new ATOM 0 HD11 LEU A 20 3.804 -3.260 0.861 1.00 1.85 H new ATOM 0 HD12 LEU A 20 4.130 -2.948 2.583 1.00 1.85 H new ATOM 0 HD13 LEU A 20 3.491 -4.528 2.070 1.00 1.85 H new ATOM 0 HD21 LEU A 20 1.458 -3.459 0.052 1.00 2.20 H new ATOM 0 HD22 LEU A 20 1.074 -4.693 1.277 1.00 2.20 H new ATOM 0 HD23 LEU A 20 0.097 -3.209 1.171 1.00 2.20 H new ATOM 291 N THR A 21 3.810 -2.136 5.379 1.00 1.43 N ATOM 292 CA THR A 21 5.147 -1.688 5.796 1.00 1.36 C ATOM 293 C THR A 21 6.251 -2.189 4.876 1.00 1.39 C ATOM 294 O THR A 21 6.269 -3.355 4.492 1.00 1.75 O ATOM 295 CB THR A 21 5.388 -2.108 7.245 1.00 1.70 C ATOM 296 OG1 THR A 21 4.580 -1.252 7.989 1.00 1.94 O ATOM 297 CG2 THR A 21 6.822 -1.950 7.747 1.00 2.00 C ATOM 0 H THR A 21 3.567 -3.061 5.733 1.00 1.43 H new ATOM 0 HA THR A 21 5.178 -0.601 5.724 1.00 1.36 H new ATOM 0 HB THR A 21 5.173 -3.173 7.337 1.00 1.70 H new ATOM 0 HG1 THR A 21 5.098 -0.875 8.730 1.00 1.94 H new ATOM 0 HG21 THR A 21 6.882 -2.276 8.785 1.00 2.00 H new ATOM 0 HG22 THR A 21 7.490 -2.557 7.137 1.00 2.00 H new ATOM 0 HG23 THR A 21 7.118 -0.903 7.678 1.00 2.00 H new ATOM 305 N LEU A 22 7.216 -1.305 4.605 1.00 1.29 N ATOM 306 CA LEU A 22 8.497 -1.636 3.978 1.00 1.56 C ATOM 307 C LEU A 22 9.645 -1.408 4.966 1.00 1.18 C ATOM 308 O LEU A 22 9.808 -0.318 5.522 1.00 1.15 O ATOM 309 CB LEU A 22 8.685 -0.788 2.702 1.00 2.11 C ATOM 310 CG LEU A 22 9.285 -1.501 1.480 1.00 2.62 C ATOM 311 CD1 LEU A 22 10.692 -2.071 1.721 1.00 2.99 C ATOM 312 CD2 LEU A 22 8.332 -2.603 1.007 1.00 2.77 C ATOM 0 H LEU A 22 7.124 -0.313 4.822 1.00 1.29 H new ATOM 0 HA LEU A 22 8.501 -2.689 3.697 1.00 1.56 H new ATOM 0 HB2 LEU A 22 7.714 -0.383 2.417 1.00 2.11 H new ATOM 0 HB3 LEU A 22 9.324 0.060 2.948 1.00 2.11 H new ATOM 0 HG LEU A 22 9.402 -0.745 0.704 1.00 2.62 H new ATOM 0 HD11 LEU A 22 11.047 -2.559 0.813 1.00 2.99 H new ATOM 0 HD12 LEU A 22 11.372 -1.262 1.988 1.00 2.99 H new ATOM 0 HD13 LEU A 22 10.656 -2.797 2.533 1.00 2.99 H new ATOM 0 HD21 LEU A 22 8.760 -3.107 0.140 1.00 2.77 H new ATOM 0 HD22 LEU A 22 8.184 -3.325 1.810 1.00 2.77 H new ATOM 0 HD23 LEU A 22 7.373 -2.162 0.734 1.00 2.77 H new ATOM 324 N GLU A 23 10.472 -2.432 5.132 1.00 1.13 N ATOM 325 CA GLU A 23 11.734 -2.412 5.867 1.00 0.98 C ATOM 326 C GLU A 23 12.771 -3.057 4.950 1.00 0.95 C ATOM 327 O GLU A 23 12.479 -4.074 4.320 1.00 1.16 O ATOM 328 CB GLU A 23 11.643 -3.200 7.193 1.00 1.31 C ATOM 329 CG GLU A 23 10.388 -2.861 8.004 1.00 2.45 C ATOM 330 CD GLU A 23 10.370 -3.500 9.386 1.00 2.78 C ATOM 331 OE1 GLU A 23 9.992 -4.688 9.496 1.00 3.57 O ATOM 332 OE2 GLU A 23 10.579 -2.773 10.380 1.00 3.30 O ATOM 0 H GLU A 23 10.271 -3.350 4.736 1.00 1.13 H new ATOM 0 HA GLU A 23 11.998 -1.388 6.133 1.00 0.98 H new ATOM 0 HB2 GLU A 23 11.652 -4.268 6.976 1.00 1.31 H new ATOM 0 HB3 GLU A 23 12.527 -2.990 7.796 1.00 1.31 H new ATOM 0 HG2 GLU A 23 10.315 -1.779 8.111 1.00 2.45 H new ATOM 0 HG3 GLU A 23 9.508 -3.186 7.450 1.00 2.45 H new ATOM 339 N ASN A 24 13.966 -2.480 4.860 1.00 0.84 N ATOM 340 CA ASN A 24 15.047 -3.034 4.054 1.00 0.81 C ATOM 341 C ASN A 24 16.149 -3.623 4.951 1.00 0.83 C ATOM 342 O ASN A 24 17.054 -2.899 5.369 1.00 0.88 O ATOM 343 CB ASN A 24 15.580 -1.956 3.100 1.00 0.82 C ATOM 344 CG ASN A 24 16.433 -2.582 2.004 1.00 0.85 C ATOM 345 OD1 ASN A 24 16.787 -3.753 2.057 1.00 1.46 O ATOM 346 ND2 ASN A 24 16.774 -1.831 0.979 1.00 0.77 N ATOM 0 H ASN A 24 14.211 -1.616 5.344 1.00 0.84 H new ATOM 0 HA ASN A 24 14.668 -3.857 3.448 1.00 0.81 H new ATOM 0 HB2 ASN A 24 14.746 -1.414 2.654 1.00 0.82 H new ATOM 0 HB3 ASN A 24 16.171 -1.230 3.658 1.00 0.82 H new ATOM 0 HD21 ASN A 24 17.336 -2.224 0.224 1.00 0.77 H new ATOM 0 HD22 ASN A 24 16.477 -0.856 0.940 1.00 0.77 H new ATOM 353 N PRO A 25 16.107 -4.930 5.268 1.00 0.93 N ATOM 354 CA PRO A 25 17.143 -5.575 6.072 1.00 1.01 C ATOM 355 C PRO A 25 18.440 -5.832 5.292 1.00 1.05 C ATOM 356 O PRO A 25 19.460 -6.137 5.914 1.00 1.15 O ATOM 357 CB PRO A 25 16.505 -6.887 6.543 1.00 1.14 C ATOM 358 CG PRO A 25 15.552 -7.236 5.400 1.00 1.18 C ATOM 359 CD PRO A 25 15.033 -5.869 4.972 1.00 1.04 C ATOM 0 HA PRO A 25 17.451 -4.935 6.898 1.00 1.01 H new ATOM 0 HB2 PRO A 25 17.252 -7.666 6.698 1.00 1.14 H new ATOM 0 HB3 PRO A 25 15.974 -6.762 7.487 1.00 1.14 H new ATOM 0 HG2 PRO A 25 16.065 -7.748 4.586 1.00 1.18 H new ATOM 0 HG3 PRO A 25 14.746 -7.891 5.730 1.00 1.18 H new ATOM 0 HD2 PRO A 25 14.785 -5.859 3.911 1.00 1.04 H new ATOM 0 HD3 PRO A 25 14.124 -5.608 5.514 1.00 1.04 H new ATOM 367 N GLY A 26 18.434 -5.710 3.957 1.00 1.03 N ATOM 368 CA GLY A 26 19.593 -5.961 3.109 1.00 1.14 C ATOM 369 C GLY A 26 20.516 -4.755 3.009 1.00 1.01 C ATOM 370 O GLY A 26 20.325 -3.726 3.652 1.00 1.22 O ATOM 0 H GLY A 26 17.605 -5.429 3.433 1.00 1.03 H new ATOM 0 HA2 GLY A 26 20.151 -6.810 3.505 1.00 1.14 H new ATOM 0 HA3 GLY A 26 19.255 -6.239 2.111 1.00 1.14 H new ATOM 374 N ASP A 27 21.554 -4.923 2.201 1.00 1.04 N ATOM 375 CA ASP A 27 22.671 -4.005 2.005 1.00 1.23 C ATOM 376 C ASP A 27 22.647 -3.337 0.619 1.00 1.19 C ATOM 377 O ASP A 27 23.482 -2.501 0.284 1.00 1.35 O ATOM 378 CB ASP A 27 23.913 -4.865 2.217 1.00 1.59 C ATOM 379 CG ASP A 27 23.998 -5.261 3.692 1.00 2.10 C ATOM 380 OD1 ASP A 27 24.310 -4.381 4.522 1.00 2.66 O ATOM 381 OD2 ASP A 27 23.525 -6.363 4.047 1.00 2.97 O ATOM 0 H ASP A 27 21.645 -5.760 1.626 1.00 1.04 H new ATOM 0 HA ASP A 27 22.634 -3.165 2.699 1.00 1.23 H new ATOM 0 HB2 ASP A 27 23.866 -5.755 1.590 1.00 1.59 H new ATOM 0 HB3 ASP A 27 24.807 -4.315 1.923 1.00 1.59 H new ATOM 386 N LEU A 28 21.627 -3.692 -0.164 1.00 1.03 N ATOM 387 CA LEU A 28 21.257 -3.128 -1.459 1.00 0.97 C ATOM 388 C LEU A 28 19.879 -2.444 -1.373 1.00 0.84 C ATOM 389 O LEU A 28 19.112 -2.746 -0.455 1.00 0.81 O ATOM 390 CB LEU A 28 21.346 -4.251 -2.512 1.00 1.11 C ATOM 391 CG LEU A 28 20.412 -5.468 -2.319 1.00 1.74 C ATOM 392 CD1 LEU A 28 18.990 -5.238 -2.860 1.00 2.20 C ATOM 393 CD2 LEU A 28 21.006 -6.684 -3.047 1.00 2.20 C ATOM 0 H LEU A 28 20.990 -4.439 0.114 1.00 1.03 H new ATOM 0 HA LEU A 28 21.944 -2.339 -1.765 1.00 0.97 H new ATOM 0 HB2 LEU A 28 21.139 -3.816 -3.490 1.00 1.11 H new ATOM 0 HB3 LEU A 28 22.374 -4.613 -2.536 1.00 1.11 H new ATOM 0 HG LEU A 28 20.337 -5.632 -1.244 1.00 1.74 H new ATOM 0 HD11 LEU A 28 18.388 -6.131 -2.692 1.00 2.20 H new ATOM 0 HD12 LEU A 28 18.536 -4.392 -2.343 1.00 2.20 H new ATOM 0 HD13 LEU A 28 19.037 -5.028 -3.928 1.00 2.20 H new ATOM 0 HD21 LEU A 28 20.350 -7.544 -2.913 1.00 2.20 H new ATOM 0 HD22 LEU A 28 21.100 -6.461 -4.110 1.00 2.20 H new ATOM 0 HD23 LEU A 28 21.990 -6.910 -2.635 1.00 2.20 H new ATOM 405 N PRO A 29 19.530 -1.525 -2.294 1.00 0.82 N ATOM 406 CA PRO A 29 18.261 -0.816 -2.241 1.00 0.76 C ATOM 407 C PRO A 29 17.124 -1.694 -2.777 1.00 0.74 C ATOM 408 O PRO A 29 17.271 -2.385 -3.783 1.00 0.78 O ATOM 409 CB PRO A 29 18.461 0.449 -3.074 1.00 0.79 C ATOM 410 CG PRO A 29 19.509 0.032 -4.107 1.00 0.85 C ATOM 411 CD PRO A 29 20.343 -1.043 -3.402 1.00 0.88 C ATOM 0 HA PRO A 29 17.974 -0.562 -1.221 1.00 0.76 H new ATOM 0 HB2 PRO A 29 17.533 0.768 -3.549 1.00 0.79 H new ATOM 0 HB3 PRO A 29 18.809 1.282 -2.463 1.00 0.79 H new ATOM 0 HG2 PRO A 29 19.041 -0.359 -5.010 1.00 0.85 H new ATOM 0 HG3 PRO A 29 20.127 0.878 -4.408 1.00 0.85 H new ATOM 0 HD2 PRO A 29 20.590 -1.855 -4.086 1.00 0.88 H new ATOM 0 HD3 PRO A 29 21.286 -0.631 -3.043 1.00 0.88 H new ATOM 419 N LEU A 30 15.970 -1.632 -2.107 1.00 0.74 N ATOM 420 CA LEU A 30 14.728 -2.240 -2.573 1.00 0.71 C ATOM 421 C LEU A 30 13.905 -1.233 -3.357 1.00 0.64 C ATOM 422 O LEU A 30 13.862 -0.041 -3.053 1.00 0.65 O ATOM 423 CB LEU A 30 13.883 -2.793 -1.413 1.00 0.72 C ATOM 424 CG LEU A 30 14.455 -4.089 -0.825 1.00 0.76 C ATOM 425 CD1 LEU A 30 13.806 -4.380 0.536 1.00 1.92 C ATOM 426 CD2 LEU A 30 14.270 -5.315 -1.731 1.00 1.43 C ATOM 0 H LEU A 30 15.875 -1.150 -1.213 1.00 0.74 H new ATOM 0 HA LEU A 30 15.006 -3.074 -3.218 1.00 0.71 H new ATOM 0 HB2 LEU A 30 13.817 -2.041 -0.627 1.00 0.72 H new ATOM 0 HB3 LEU A 30 12.868 -2.976 -1.764 1.00 0.72 H new ATOM 0 HG LEU A 30 15.527 -3.922 -0.723 1.00 0.76 H new ATOM 0 HD11 LEU A 30 14.218 -5.302 0.946 1.00 1.92 H new ATOM 0 HD12 LEU A 30 14.010 -3.556 1.220 1.00 1.92 H new ATOM 0 HD13 LEU A 30 12.729 -4.489 0.410 1.00 1.92 H new ATOM 0 HD21 LEU A 30 14.700 -6.193 -1.248 1.00 1.43 H new ATOM 0 HD22 LEU A 30 13.207 -5.481 -1.906 1.00 1.43 H new ATOM 0 HD23 LEU A 30 14.772 -5.143 -2.683 1.00 1.43 H new ATOM 438 N ARG A 31 13.174 -1.796 -4.307 1.00 0.61 N ATOM 439 CA ARG A 31 12.299 -1.057 -5.224 1.00 0.53 C ATOM 440 C ARG A 31 10.975 -1.778 -5.423 1.00 0.49 C ATOM 441 O ARG A 31 10.903 -2.774 -6.138 1.00 0.51 O ATOM 442 CB ARG A 31 13.023 -0.798 -6.551 1.00 0.52 C ATOM 443 CG ARG A 31 12.224 0.187 -7.424 1.00 0.54 C ATOM 444 CD ARG A 31 13.035 0.721 -8.610 1.00 0.64 C ATOM 445 NE ARG A 31 14.225 1.428 -8.117 1.00 1.15 N ATOM 446 CZ ARG A 31 15.448 1.468 -8.612 1.00 1.17 C ATOM 447 NH1 ARG A 31 15.733 1.021 -9.819 1.00 1.85 N ATOM 448 NH2 ARG A 31 16.413 1.956 -7.864 1.00 2.07 N ATOM 0 H ARG A 31 13.168 -2.803 -4.471 1.00 0.61 H new ATOM 0 HA ARG A 31 12.063 -0.090 -4.780 1.00 0.53 H new ATOM 0 HB2 ARG A 31 14.017 -0.395 -6.356 1.00 0.52 H new ATOM 0 HB3 ARG A 31 13.159 -1.738 -7.086 1.00 0.52 H new ATOM 0 HG2 ARG A 31 11.328 -0.309 -7.796 1.00 0.54 H new ATOM 0 HG3 ARG A 31 11.893 1.024 -6.809 1.00 0.54 H new ATOM 0 HD2 ARG A 31 13.332 -0.102 -9.260 1.00 0.64 H new ATOM 0 HD3 ARG A 31 12.422 1.395 -9.209 1.00 0.64 H new ATOM 0 HE ARG A 31 14.085 1.969 -7.264 1.00 1.15 H new ATOM 0 HH11 ARG A 31 14.996 0.628 -10.404 1.00 1.85 H new ATOM 0 HH12 ARG A 31 16.690 1.069 -10.168 1.00 1.85 H new ATOM 0 HH21 ARG A 31 16.208 2.293 -6.923 1.00 2.07 H new ATOM 0 HH22 ARG A 31 17.366 1.997 -8.224 1.00 2.07 H new ATOM 462 N LEU A 32 9.929 -1.305 -4.762 1.00 0.48 N ATOM 463 CA LEU A 32 8.595 -1.894 -4.753 1.00 0.46 C ATOM 464 C LEU A 32 7.801 -1.404 -5.966 1.00 0.45 C ATOM 465 O LEU A 32 7.340 -0.269 -5.977 1.00 0.52 O ATOM 466 CB LEU A 32 7.963 -1.512 -3.408 1.00 0.49 C ATOM 467 CG LEU A 32 6.525 -2.014 -3.182 1.00 0.55 C ATOM 468 CD1 LEU A 32 6.488 -3.544 -3.105 1.00 1.55 C ATOM 469 CD2 LEU A 32 6.002 -1.402 -1.878 1.00 1.78 C ATOM 0 H LEU A 32 9.988 -0.462 -4.191 1.00 0.48 H new ATOM 0 HA LEU A 32 8.613 -2.980 -4.840 1.00 0.46 H new ATOM 0 HB2 LEU A 32 8.594 -1.899 -2.608 1.00 0.49 H new ATOM 0 HB3 LEU A 32 7.967 -0.426 -3.320 1.00 0.49 H new ATOM 0 HG LEU A 32 5.895 -1.711 -4.018 1.00 0.55 H new ATOM 0 HD11 LEU A 32 5.462 -3.876 -2.945 1.00 1.55 H new ATOM 0 HD12 LEU A 32 6.864 -3.964 -4.038 1.00 1.55 H new ATOM 0 HD13 LEU A 32 7.112 -3.882 -2.277 1.00 1.55 H new ATOM 0 HD21 LEU A 32 4.983 -1.745 -1.698 1.00 1.78 H new ATOM 0 HD22 LEU A 32 6.640 -1.710 -1.050 1.00 1.78 H new ATOM 0 HD23 LEU A 32 6.010 -0.315 -1.957 1.00 1.78 H new ATOM 481 N VAL A 33 7.659 -2.272 -6.966 1.00 0.40 N ATOM 482 CA VAL A 33 7.024 -1.971 -8.266 1.00 0.39 C ATOM 483 C VAL A 33 5.568 -2.479 -8.335 1.00 0.40 C ATOM 484 O VAL A 33 4.790 -2.028 -9.172 1.00 0.44 O ATOM 485 CB VAL A 33 7.835 -2.563 -9.453 1.00 0.42 C ATOM 486 CG1 VAL A 33 9.294 -2.062 -9.484 1.00 0.42 C ATOM 487 CG2 VAL A 33 7.895 -4.104 -9.483 1.00 0.47 C ATOM 0 H VAL A 33 7.989 -3.235 -6.901 1.00 0.40 H new ATOM 0 HA VAL A 33 7.014 -0.884 -8.351 1.00 0.39 H new ATOM 0 HB VAL A 33 7.279 -2.211 -10.322 1.00 0.42 H new ATOM 0 HG11 VAL A 33 9.814 -2.507 -10.333 1.00 0.42 H new ATOM 0 HG12 VAL A 33 9.304 -0.976 -9.581 1.00 0.42 H new ATOM 0 HG13 VAL A 33 9.797 -2.348 -8.560 1.00 0.42 H new ATOM 0 HG21 VAL A 33 8.480 -4.429 -10.343 1.00 0.47 H new ATOM 0 HG22 VAL A 33 8.363 -4.468 -8.568 1.00 0.47 H new ATOM 0 HG23 VAL A 33 6.885 -4.506 -9.559 1.00 0.47 H new ATOM 497 N GLY A 34 5.215 -3.464 -7.492 1.00 0.39 N ATOM 498 CA GLY A 34 3.930 -4.168 -7.516 1.00 0.43 C ATOM 499 C GLY A 34 3.577 -4.868 -6.199 1.00 0.46 C ATOM 500 O GLY A 34 4.363 -4.856 -5.250 1.00 0.47 O ATOM 0 H GLY A 34 5.836 -3.799 -6.756 1.00 0.39 H new ATOM 0 HA2 GLY A 34 3.142 -3.456 -7.759 1.00 0.43 H new ATOM 0 HA3 GLY A 34 3.948 -4.909 -8.316 1.00 0.43 H new ATOM 504 N ALA A 35 2.438 -5.566 -6.180 1.00 0.52 N ATOM 505 CA ALA A 35 2.005 -6.443 -5.086 1.00 0.53 C ATOM 506 C ALA A 35 1.045 -7.555 -5.562 1.00 0.53 C ATOM 507 O ALA A 35 0.742 -7.653 -6.751 1.00 0.56 O ATOM 508 CB ALA A 35 1.397 -5.584 -3.967 1.00 0.51 C ATOM 0 H ALA A 35 1.770 -5.536 -6.950 1.00 0.52 H new ATOM 0 HA ALA A 35 2.875 -6.969 -4.694 1.00 0.53 H new ATOM 0 HB1 ALA A 35 1.072 -6.228 -3.150 1.00 0.51 H new ATOM 0 HB2 ALA A 35 2.145 -4.881 -3.600 1.00 0.51 H new ATOM 0 HB3 ALA A 35 0.541 -5.032 -4.356 1.00 0.51 H new ATOM 514 N ARG A 36 0.587 -8.402 -4.633 1.00 0.55 N ATOM 515 CA ARG A 36 -0.310 -9.547 -4.859 1.00 0.59 C ATOM 516 C ARG A 36 -0.984 -9.894 -3.526 1.00 0.66 C ATOM 517 O ARG A 36 -0.276 -9.927 -2.526 1.00 1.08 O ATOM 518 CB ARG A 36 0.566 -10.747 -5.253 1.00 0.61 C ATOM 519 CG ARG A 36 0.301 -11.488 -6.559 1.00 1.14 C ATOM 520 CD ARG A 36 1.300 -12.655 -6.474 1.00 1.81 C ATOM 521 NE ARG A 36 1.234 -13.625 -7.567 1.00 2.68 N ATOM 522 CZ ARG A 36 1.987 -14.722 -7.558 1.00 3.75 C ATOM 523 NH1 ARG A 36 2.773 -15.029 -6.537 1.00 4.27 N ATOM 524 NH2 ARG A 36 1.974 -15.537 -8.591 1.00 4.80 N ATOM 0 H ARG A 36 0.844 -8.304 -3.651 1.00 0.55 H new ATOM 0 HA ARG A 36 -1.050 -9.318 -5.626 1.00 0.59 H new ATOM 0 HB2 ARG A 36 1.599 -10.399 -5.281 1.00 0.61 H new ATOM 0 HB3 ARG A 36 0.498 -11.477 -4.446 1.00 0.61 H new ATOM 0 HG2 ARG A 36 -0.729 -11.837 -6.628 1.00 1.14 H new ATOM 0 HG3 ARG A 36 0.483 -10.858 -7.430 1.00 1.14 H new ATOM 0 HD2 ARG A 36 2.309 -12.244 -6.437 1.00 1.81 H new ATOM 0 HD3 ARG A 36 1.136 -13.182 -5.534 1.00 1.81 H new ATOM 0 HE ARG A 36 0.600 -13.458 -8.349 1.00 2.68 H new ATOM 0 HH11 ARG A 36 2.815 -14.416 -5.723 1.00 4.27 H new ATOM 0 HH12 ARG A 36 3.337 -15.879 -6.565 1.00 4.27 H new ATOM 0 HH21 ARG A 36 1.387 -15.328 -9.398 1.00 4.80 H new ATOM 0 HH22 ARG A 36 2.551 -16.378 -8.584 1.00 4.80 H new ATOM 538 N THR A 37 -2.255 -10.299 -3.476 1.00 0.61 N ATOM 539 CA THR A 37 -2.850 -10.884 -2.253 1.00 0.61 C ATOM 540 C THR A 37 -3.954 -11.872 -2.612 1.00 0.59 C ATOM 541 O THR A 37 -4.638 -11.647 -3.612 1.00 0.63 O ATOM 542 CB THR A 37 -3.329 -9.799 -1.270 1.00 0.63 C ATOM 543 OG1 THR A 37 -4.218 -10.343 -0.323 1.00 0.81 O ATOM 544 CG2 THR A 37 -4.057 -8.633 -1.935 1.00 0.61 C ATOM 0 H THR A 37 -2.899 -10.236 -4.264 1.00 0.61 H new ATOM 0 HA THR A 37 -2.070 -11.440 -1.732 1.00 0.61 H new ATOM 0 HB THR A 37 -2.415 -9.424 -0.810 1.00 0.63 H new ATOM 0 HG1 THR A 37 -3.747 -10.484 0.525 1.00 0.81 H new ATOM 0 HG21 THR A 37 -4.361 -7.913 -1.175 1.00 0.61 H new ATOM 0 HG22 THR A 37 -3.391 -8.148 -2.648 1.00 0.61 H new ATOM 0 HG23 THR A 37 -4.939 -9.005 -2.457 1.00 0.61 H new ATOM 552 N PRO A 38 -4.187 -12.926 -1.805 1.00 0.75 N ATOM 553 CA PRO A 38 -5.301 -13.850 -2.015 1.00 0.71 C ATOM 554 C PRO A 38 -6.683 -13.198 -1.899 1.00 0.63 C ATOM 555 O PRO A 38 -7.672 -13.830 -2.256 1.00 0.69 O ATOM 556 CB PRO A 38 -5.109 -14.945 -0.968 1.00 0.85 C ATOM 557 CG PRO A 38 -4.303 -14.287 0.146 1.00 1.01 C ATOM 558 CD PRO A 38 -3.418 -13.313 -0.625 1.00 1.05 C ATOM 0 HA PRO A 38 -5.285 -14.234 -3.035 1.00 0.71 H new ATOM 0 HB2 PRO A 38 -6.067 -15.311 -0.599 1.00 0.85 H new ATOM 0 HB3 PRO A 38 -4.580 -15.802 -1.385 1.00 0.85 H new ATOM 0 HG2 PRO A 38 -4.944 -13.774 0.863 1.00 1.01 H new ATOM 0 HG3 PRO A 38 -3.715 -15.014 0.707 1.00 1.01 H new ATOM 0 HD2 PRO A 38 -3.171 -12.443 -0.016 1.00 1.05 H new ATOM 0 HD3 PRO A 38 -2.476 -13.781 -0.909 1.00 1.05 H new ATOM 566 N VAL A 39 -6.760 -11.952 -1.421 1.00 0.60 N ATOM 567 CA VAL A 39 -8.027 -11.208 -1.242 1.00 0.64 C ATOM 568 C VAL A 39 -8.035 -9.830 -1.925 1.00 0.67 C ATOM 569 O VAL A 39 -8.701 -8.914 -1.460 1.00 0.87 O ATOM 570 CB VAL A 39 -8.456 -11.137 0.244 1.00 0.91 C ATOM 571 CG1 VAL A 39 -8.698 -12.538 0.826 1.00 1.06 C ATOM 572 CG2 VAL A 39 -7.433 -10.403 1.117 1.00 1.06 C ATOM 0 H VAL A 39 -5.937 -11.418 -1.142 1.00 0.60 H new ATOM 0 HA VAL A 39 -8.787 -11.789 -1.765 1.00 0.64 H new ATOM 0 HB VAL A 39 -9.387 -10.571 0.257 1.00 0.91 H new ATOM 0 HG11 VAL A 39 -8.998 -12.451 1.870 1.00 1.06 H new ATOM 0 HG12 VAL A 39 -9.487 -13.035 0.262 1.00 1.06 H new ATOM 0 HG13 VAL A 39 -7.781 -13.123 0.759 1.00 1.06 H new ATOM 0 HG21 VAL A 39 -7.784 -10.382 2.149 1.00 1.06 H new ATOM 0 HG22 VAL A 39 -6.475 -10.922 1.069 1.00 1.06 H new ATOM 0 HG23 VAL A 39 -7.311 -9.382 0.755 1.00 1.06 H new ATOM 582 N ALA A 40 -7.369 -9.720 -3.083 1.00 0.71 N ATOM 583 CA ALA A 40 -7.573 -8.681 -4.106 1.00 0.81 C ATOM 584 C ALA A 40 -6.922 -9.144 -5.421 1.00 1.11 C ATOM 585 O ALA A 40 -5.711 -9.335 -5.491 1.00 1.92 O ATOM 586 CB ALA A 40 -7.014 -7.323 -3.659 1.00 1.10 C ATOM 0 H ALA A 40 -6.639 -10.383 -3.345 1.00 0.71 H new ATOM 0 HA ALA A 40 -8.643 -8.540 -4.258 1.00 0.81 H new ATOM 0 HB1 ALA A 40 -7.185 -6.584 -4.442 1.00 1.10 H new ATOM 0 HB2 ALA A 40 -7.516 -7.006 -2.745 1.00 1.10 H new ATOM 0 HB3 ALA A 40 -5.944 -7.414 -3.472 1.00 1.10 H new ATOM 592 N GLU A 41 -7.738 -9.353 -6.449 1.00 0.90 N ATOM 593 CA GLU A 41 -7.307 -9.892 -7.739 1.00 1.09 C ATOM 594 C GLU A 41 -6.430 -8.936 -8.559 1.00 0.93 C ATOM 595 O GLU A 41 -5.558 -9.373 -9.307 1.00 1.03 O ATOM 596 CB GLU A 41 -8.580 -10.211 -8.526 1.00 1.28 C ATOM 597 CG GLU A 41 -8.349 -11.175 -9.686 1.00 1.55 C ATOM 598 CD GLU A 41 -9.708 -11.619 -10.194 1.00 1.68 C ATOM 599 OE1 GLU A 41 -10.283 -12.516 -9.534 1.00 2.83 O ATOM 600 OE2 GLU A 41 -10.188 -10.996 -11.170 1.00 2.55 O ATOM 0 H GLU A 41 -8.737 -9.149 -6.411 1.00 0.90 H new ATOM 0 HA GLU A 41 -6.686 -10.768 -7.552 1.00 1.09 H new ATOM 0 HB2 GLU A 41 -9.319 -10.639 -7.849 1.00 1.28 H new ATOM 0 HB3 GLU A 41 -9.002 -9.283 -8.913 1.00 1.28 H new ATOM 0 HG2 GLU A 41 -7.784 -10.688 -10.481 1.00 1.55 H new ATOM 0 HG3 GLU A 41 -7.764 -12.034 -9.359 1.00 1.55 H new ATOM 607 N ARG A 42 -6.707 -7.629 -8.464 1.00 0.76 N ATOM 608 CA ARG A 42 -6.188 -6.605 -9.371 1.00 0.64 C ATOM 609 C ARG A 42 -5.732 -5.428 -8.509 1.00 0.70 C ATOM 610 O ARG A 42 -6.544 -4.592 -8.120 1.00 1.40 O ATOM 611 CB ARG A 42 -7.305 -6.221 -10.368 1.00 1.28 C ATOM 612 CG ARG A 42 -7.754 -7.409 -11.247 1.00 2.20 C ATOM 613 CD ARG A 42 -9.071 -7.148 -11.984 1.00 3.16 C ATOM 614 NE ARG A 42 -9.733 -8.417 -12.344 1.00 4.78 N ATOM 615 CZ ARG A 42 -10.502 -8.679 -13.392 1.00 6.07 C ATOM 616 NH1 ARG A 42 -10.741 -7.800 -14.341 1.00 6.24 N ATOM 617 NH2 ARG A 42 -11.054 -9.866 -13.472 1.00 7.59 N ATOM 0 H ARG A 42 -7.312 -7.249 -7.737 1.00 0.76 H new ATOM 0 HA ARG A 42 -5.338 -6.952 -9.959 1.00 0.64 H new ATOM 0 HB2 ARG A 42 -8.163 -5.838 -9.816 1.00 1.28 H new ATOM 0 HB3 ARG A 42 -6.952 -5.413 -11.009 1.00 1.28 H new ATOM 0 HG2 ARG A 42 -6.974 -7.629 -11.976 1.00 2.20 H new ATOM 0 HG3 ARG A 42 -7.864 -8.295 -10.621 1.00 2.20 H new ATOM 0 HD2 ARG A 42 -9.733 -6.554 -11.354 1.00 3.16 H new ATOM 0 HD3 ARG A 42 -8.879 -6.565 -12.885 1.00 3.16 H new ATOM 0 HE ARG A 42 -9.579 -9.195 -11.702 1.00 4.78 H new ATOM 0 HH11 ARG A 42 -10.327 -6.869 -14.290 1.00 6.24 H new ATOM 0 HH12 ARG A 42 -11.340 -8.049 -15.128 1.00 6.24 H new ATOM 0 HH21 ARG A 42 -10.886 -10.557 -12.740 1.00 7.59 H new ATOM 0 HH22 ARG A 42 -11.651 -10.098 -14.266 1.00 7.59 H new ATOM 631 N VAL A 43 -4.458 -5.424 -8.130 1.00 0.58 N ATOM 632 CA VAL A 43 -3.857 -4.385 -7.276 1.00 0.56 C ATOM 633 C VAL A 43 -3.387 -3.189 -8.131 1.00 0.83 C ATOM 634 O VAL A 43 -3.284 -3.311 -9.351 1.00 1.48 O ATOM 635 CB VAL A 43 -2.722 -4.980 -6.407 1.00 0.59 C ATOM 636 CG1 VAL A 43 -1.367 -5.057 -7.127 1.00 0.98 C ATOM 637 CG2 VAL A 43 -2.570 -4.248 -5.066 1.00 0.64 C ATOM 0 H VAL A 43 -3.797 -6.150 -8.408 1.00 0.58 H new ATOM 0 HA VAL A 43 -4.613 -4.007 -6.588 1.00 0.56 H new ATOM 0 HB VAL A 43 -3.035 -6.005 -6.209 1.00 0.59 H new ATOM 0 HG11 VAL A 43 -0.622 -5.484 -6.456 1.00 0.98 H new ATOM 0 HG12 VAL A 43 -1.461 -5.686 -8.012 1.00 0.98 H new ATOM 0 HG13 VAL A 43 -1.056 -4.056 -7.425 1.00 0.98 H new ATOM 0 HG21 VAL A 43 -1.762 -4.702 -4.493 1.00 0.64 H new ATOM 0 HG22 VAL A 43 -2.340 -3.198 -5.248 1.00 0.64 H new ATOM 0 HG23 VAL A 43 -3.500 -4.323 -4.503 1.00 0.64 H new ATOM 647 N GLU A 44 -3.078 -2.061 -7.494 1.00 0.46 N ATOM 648 CA GLU A 44 -2.675 -0.793 -8.109 1.00 0.53 C ATOM 649 C GLU A 44 -1.839 -0.003 -7.082 1.00 0.44 C ATOM 650 O GLU A 44 -2.053 -0.182 -5.880 1.00 0.64 O ATOM 651 CB GLU A 44 -3.953 -0.037 -8.543 1.00 0.77 C ATOM 652 CG GLU A 44 -3.981 0.329 -10.029 1.00 1.32 C ATOM 653 CD GLU A 44 -3.245 1.638 -10.268 1.00 2.93 C ATOM 654 OE1 GLU A 44 -2.041 1.687 -9.938 1.00 4.40 O ATOM 655 OE2 GLU A 44 -3.915 2.615 -10.669 1.00 3.66 O ATOM 0 H GLU A 44 -3.103 -2.002 -6.476 1.00 0.46 H new ATOM 0 HA GLU A 44 -2.059 -0.943 -8.996 1.00 0.53 H new ATOM 0 HB2 GLU A 44 -4.823 -0.652 -8.314 1.00 0.77 H new ATOM 0 HB3 GLU A 44 -4.043 0.875 -7.952 1.00 0.77 H new ATOM 0 HG2 GLU A 44 -3.520 -0.467 -10.614 1.00 1.32 H new ATOM 0 HG3 GLU A 44 -5.013 0.418 -10.369 1.00 1.32 H new ATOM 662 N LEU A 45 -0.881 0.834 -7.500 1.00 0.60 N ATOM 663 CA LEU A 45 0.085 1.483 -6.593 1.00 0.52 C ATOM 664 C LEU A 45 -0.007 3.007 -6.690 1.00 0.46 C ATOM 665 O LEU A 45 0.397 3.619 -7.681 1.00 0.60 O ATOM 666 CB LEU A 45 1.511 0.968 -6.879 1.00 0.86 C ATOM 667 CG LEU A 45 2.599 1.620 -5.992 1.00 0.49 C ATOM 668 CD1 LEU A 45 2.502 1.257 -4.505 1.00 0.93 C ATOM 669 CD2 LEU A 45 3.990 1.236 -6.510 1.00 1.02 C ATOM 0 H LEU A 45 -0.750 1.084 -8.480 1.00 0.60 H new ATOM 0 HA LEU A 45 -0.164 1.218 -5.565 1.00 0.52 H new ATOM 0 HB2 LEU A 45 1.534 -0.112 -6.732 1.00 0.86 H new ATOM 0 HB3 LEU A 45 1.751 1.152 -7.926 1.00 0.86 H new ATOM 0 HG LEU A 45 2.432 2.695 -6.061 1.00 0.49 H new ATOM 0 HD11 LEU A 45 3.301 1.756 -3.956 1.00 0.93 H new ATOM 0 HD12 LEU A 45 1.537 1.579 -4.114 1.00 0.93 H new ATOM 0 HD13 LEU A 45 2.599 0.178 -4.387 1.00 0.93 H new ATOM 0 HD21 LEU A 45 4.752 1.698 -5.882 1.00 1.02 H new ATOM 0 HD22 LEU A 45 4.103 0.152 -6.480 1.00 1.02 H new ATOM 0 HD23 LEU A 45 4.105 1.585 -7.536 1.00 1.02 H new ATOM 681 N HIS A 46 -0.501 3.640 -5.625 1.00 0.43 N ATOM 682 CA HIS A 46 -0.861 5.053 -5.595 1.00 0.42 C ATOM 683 C HIS A 46 -0.108 5.874 -4.542 1.00 0.41 C ATOM 684 O HIS A 46 0.196 5.429 -3.430 1.00 0.48 O ATOM 685 CB HIS A 46 -2.365 5.175 -5.316 1.00 0.42 C ATOM 686 CG HIS A 46 -3.317 4.647 -6.355 1.00 0.46 C ATOM 687 ND1 HIS A 46 -4.686 4.522 -6.172 1.00 0.48 N ATOM 688 CD2 HIS A 46 -3.034 4.190 -7.607 1.00 0.57 C ATOM 689 CE1 HIS A 46 -5.194 3.979 -7.278 1.00 0.59 C ATOM 690 NE2 HIS A 46 -4.220 3.801 -8.183 1.00 0.66 N ATOM 0 H HIS A 46 -0.665 3.168 -4.736 1.00 0.43 H new ATOM 0 HA HIS A 46 -0.583 5.459 -6.568 1.00 0.42 H new ATOM 0 HB2 HIS A 46 -2.574 4.661 -4.378 1.00 0.42 H new ATOM 0 HB3 HIS A 46 -2.592 6.229 -5.159 1.00 0.42 H new ATOM 0 HD2 HIS A 46 -2.056 4.142 -8.064 1.00 0.57 H new ATOM 0 HE1 HIS A 46 -6.233 3.721 -7.424 1.00 0.59 H new ATOM 0 HE2 HIS A 46 -4.338 3.441 -9.130 1.00 0.66 H new ATOM 698 N GLU A 47 0.049 7.151 -4.879 1.00 0.43 N ATOM 699 CA GLU A 47 0.264 8.219 -3.915 1.00 0.43 C ATOM 700 C GLU A 47 -1.062 8.885 -3.513 1.00 0.43 C ATOM 701 O GLU A 47 -2.145 8.597 -4.040 1.00 0.60 O ATOM 702 CB GLU A 47 1.267 9.232 -4.475 1.00 0.56 C ATOM 703 CG GLU A 47 0.665 10.177 -5.522 1.00 0.77 C ATOM 704 CD GLU A 47 1.604 11.305 -5.922 1.00 1.23 C ATOM 705 OE1 GLU A 47 2.836 11.148 -5.838 1.00 2.52 O ATOM 706 OE2 GLU A 47 1.084 12.285 -6.498 1.00 2.03 O ATOM 0 H GLU A 47 0.030 7.475 -5.846 1.00 0.43 H new ATOM 0 HA GLU A 47 0.686 7.791 -3.005 1.00 0.43 H new ATOM 0 HB2 GLU A 47 1.671 9.823 -3.653 1.00 0.56 H new ATOM 0 HB3 GLU A 47 2.103 8.694 -4.921 1.00 0.56 H new ATOM 0 HG2 GLU A 47 0.398 9.603 -6.409 1.00 0.77 H new ATOM 0 HG3 GLU A 47 -0.258 10.603 -5.129 1.00 0.77 H new ATOM 713 N THR A 48 -0.968 9.845 -2.599 1.00 0.46 N ATOM 714 CA THR A 48 -2.052 10.719 -2.140 1.00 0.41 C ATOM 715 C THR A 48 -1.405 12.066 -1.835 1.00 0.43 C ATOM 716 O THR A 48 -0.389 12.110 -1.147 1.00 0.56 O ATOM 717 CB THR A 48 -2.721 10.088 -0.918 1.00 0.49 C ATOM 718 OG1 THR A 48 -3.192 8.836 -1.348 1.00 0.69 O ATOM 719 CG2 THR A 48 -3.901 10.897 -0.384 1.00 0.64 C ATOM 0 H THR A 48 -0.086 10.049 -2.130 1.00 0.46 H new ATOM 0 HA THR A 48 -2.838 10.855 -2.883 1.00 0.41 H new ATOM 0 HB THR A 48 -1.998 10.033 -0.104 1.00 0.49 H new ATOM 0 HG1 THR A 48 -3.633 8.379 -0.602 1.00 0.69 H new ATOM 0 HG21 THR A 48 -4.327 10.391 0.482 1.00 0.64 H new ATOM 0 HG22 THR A 48 -3.559 11.890 -0.092 1.00 0.64 H new ATOM 0 HG23 THR A 48 -4.660 10.989 -1.160 1.00 0.64 H new ATOM 727 N PHE A 49 -1.941 13.144 -2.405 1.00 0.49 N ATOM 728 CA PHE A 49 -1.259 14.432 -2.525 1.00 0.61 C ATOM 729 C PHE A 49 -2.120 15.613 -2.070 1.00 0.59 C ATOM 730 O PHE A 49 -3.336 15.512 -1.924 1.00 0.54 O ATOM 731 CB PHE A 49 -0.781 14.616 -3.983 1.00 0.72 C ATOM 732 CG PHE A 49 -1.862 14.635 -5.061 1.00 0.68 C ATOM 733 CD1 PHE A 49 -2.717 15.746 -5.167 1.00 1.71 C ATOM 734 CD2 PHE A 49 -1.990 13.584 -5.995 1.00 1.89 C ATOM 735 CE1 PHE A 49 -3.686 15.819 -6.176 1.00 1.78 C ATOM 736 CE2 PHE A 49 -2.951 13.664 -7.019 1.00 1.88 C ATOM 737 CZ PHE A 49 -3.795 14.781 -7.117 1.00 0.81 C ATOM 0 H PHE A 49 -2.880 13.147 -2.804 1.00 0.49 H new ATOM 0 HA PHE A 49 -0.401 14.420 -1.852 1.00 0.61 H new ATOM 0 HB2 PHE A 49 -0.224 15.551 -4.043 1.00 0.72 H new ATOM 0 HB3 PHE A 49 -0.082 13.813 -4.216 1.00 0.72 H new ATOM 0 HD1 PHE A 49 -2.625 16.556 -4.459 1.00 1.71 H new ATOM 0 HD2 PHE A 49 -1.349 12.718 -5.923 1.00 1.89 H new ATOM 0 HE1 PHE A 49 -4.348 16.671 -6.231 1.00 1.78 H new ATOM 0 HE2 PHE A 49 -3.040 12.860 -7.735 1.00 1.88 H new ATOM 0 HZ PHE A 49 -4.524 14.843 -7.911 1.00 0.81 H new ATOM 747 N MET A 50 -1.483 16.778 -1.945 1.00 0.73 N ATOM 748 CA MET A 50 -2.145 18.079 -1.780 1.00 0.78 C ATOM 749 C MET A 50 -2.190 18.827 -3.123 1.00 0.75 C ATOM 750 O MET A 50 -1.238 18.759 -3.896 1.00 0.83 O ATOM 751 CB MET A 50 -1.410 18.911 -0.718 1.00 1.03 C ATOM 752 CG MET A 50 -1.521 18.290 0.681 1.00 1.96 C ATOM 753 SD MET A 50 -0.627 19.220 1.953 1.00 2.45 S ATOM 754 CE MET A 50 -1.860 19.183 3.277 1.00 3.48 C ATOM 0 H MET A 50 -0.465 16.848 -1.956 1.00 0.73 H new ATOM 0 HA MET A 50 -3.169 17.917 -1.445 1.00 0.78 H new ATOM 0 HB2 MET A 50 -0.359 19.001 -0.992 1.00 1.03 H new ATOM 0 HB3 MET A 50 -1.822 19.920 -0.700 1.00 1.03 H new ATOM 0 HG2 MET A 50 -2.573 18.226 0.960 1.00 1.96 H new ATOM 0 HG3 MET A 50 -1.137 17.270 0.649 1.00 1.96 H new ATOM 0 HE1 MET A 50 -1.475 19.714 4.148 1.00 3.48 H new ATOM 0 HE2 MET A 50 -2.776 19.664 2.934 1.00 3.48 H new ATOM 0 HE3 MET A 50 -2.072 18.149 3.548 1.00 3.48 H new ATOM 764 N ARG A 51 -3.295 19.531 -3.399 1.00 0.74 N ATOM 765 CA ARG A 51 -3.488 20.429 -4.554 1.00 0.72 C ATOM 766 C ARG A 51 -4.388 21.624 -4.190 1.00 0.74 C ATOM 767 O ARG A 51 -4.924 21.721 -3.082 1.00 0.88 O ATOM 768 CB ARG A 51 -4.014 19.671 -5.798 1.00 0.83 C ATOM 769 CG ARG A 51 -2.851 19.118 -6.640 1.00 1.33 C ATOM 770 CD ARG A 51 -3.262 18.618 -8.031 1.00 2.14 C ATOM 771 NE ARG A 51 -2.228 17.701 -8.541 1.00 3.66 N ATOM 772 CZ ARG A 51 -1.656 17.676 -9.737 1.00 4.68 C ATOM 773 NH1 ARG A 51 -2.027 18.459 -10.730 1.00 4.67 N ATOM 774 NH2 ARG A 51 -0.675 16.824 -9.939 1.00 6.14 N ATOM 0 H ARG A 51 -4.119 19.491 -2.799 1.00 0.74 H new ATOM 0 HA ARG A 51 -2.509 20.826 -4.821 1.00 0.72 H new ATOM 0 HB2 ARG A 51 -4.661 18.852 -5.483 1.00 0.83 H new ATOM 0 HB3 ARG A 51 -4.622 20.341 -6.406 1.00 0.83 H new ATOM 0 HG2 ARG A 51 -2.098 19.898 -6.755 1.00 1.33 H new ATOM 0 HG3 ARG A 51 -2.381 18.298 -6.096 1.00 1.33 H new ATOM 0 HD2 ARG A 51 -4.224 18.107 -7.978 1.00 2.14 H new ATOM 0 HD3 ARG A 51 -3.386 19.460 -8.712 1.00 2.14 H new ATOM 0 HE ARG A 51 -1.909 16.988 -7.885 1.00 3.66 H new ATOM 0 HH11 ARG A 51 -2.788 19.125 -10.597 1.00 4.67 H new ATOM 0 HH12 ARG A 51 -1.553 18.399 -11.631 1.00 4.67 H new ATOM 0 HH21 ARG A 51 -0.374 16.206 -9.186 1.00 6.14 H new ATOM 0 HH22 ARG A 51 -0.216 16.782 -10.849 1.00 6.14 H new ATOM 788 N GLU A 52 -4.579 22.536 -5.138 1.00 1.02 N ATOM 789 CA GLU A 52 -5.436 23.695 -5.042 1.00 1.00 C ATOM 790 C GLU A 52 -6.136 23.897 -6.391 1.00 1.00 C ATOM 791 O GLU A 52 -5.504 23.754 -7.435 1.00 1.08 O ATOM 792 CB GLU A 52 -4.557 24.884 -4.637 1.00 1.09 C ATOM 793 CG GLU A 52 -5.320 26.203 -4.731 1.00 1.36 C ATOM 794 CD GLU A 52 -4.984 27.146 -3.587 1.00 1.62 C ATOM 795 OE1 GLU A 52 -3.814 27.232 -3.158 1.00 2.52 O ATOM 796 OE2 GLU A 52 -5.929 27.754 -3.044 1.00 2.54 O ATOM 0 H GLU A 52 -4.110 22.475 -6.042 1.00 1.02 H new ATOM 0 HA GLU A 52 -6.218 23.579 -4.291 1.00 1.00 H new ATOM 0 HB2 GLU A 52 -4.199 24.742 -3.617 1.00 1.09 H new ATOM 0 HB3 GLU A 52 -3.679 24.924 -5.281 1.00 1.09 H new ATOM 0 HG2 GLU A 52 -5.088 26.688 -5.679 1.00 1.36 H new ATOM 0 HG3 GLU A 52 -6.391 26.002 -4.730 1.00 1.36 H new ATOM 803 N VAL A 53 -7.426 24.233 -6.344 1.00 1.07 N ATOM 804 CA VAL A 53 -8.260 24.730 -7.449 1.00 1.16 C ATOM 805 C VAL A 53 -9.231 25.768 -6.880 1.00 1.22 C ATOM 806 O VAL A 53 -9.640 25.628 -5.731 1.00 1.44 O ATOM 807 CB VAL A 53 -9.069 23.613 -8.154 1.00 1.41 C ATOM 808 CG1 VAL A 53 -8.165 22.718 -9.018 1.00 2.19 C ATOM 809 CG2 VAL A 53 -9.882 22.729 -7.188 1.00 2.09 C ATOM 0 H VAL A 53 -7.956 24.162 -5.475 1.00 1.07 H new ATOM 0 HA VAL A 53 -7.597 25.159 -8.200 1.00 1.16 H new ATOM 0 HB VAL A 53 -9.780 24.143 -8.788 1.00 1.41 H new ATOM 0 HG11 VAL A 53 -8.768 21.946 -9.497 1.00 2.19 H new ATOM 0 HG12 VAL A 53 -7.677 23.323 -9.782 1.00 2.19 H new ATOM 0 HG13 VAL A 53 -7.409 22.249 -8.389 1.00 2.19 H new ATOM 0 HG21 VAL A 53 -10.421 21.971 -7.755 1.00 2.09 H new ATOM 0 HG22 VAL A 53 -9.207 22.243 -6.484 1.00 2.09 H new ATOM 0 HG23 VAL A 53 -10.594 23.347 -6.641 1.00 2.09 H new ATOM 819 N GLU A 54 -9.558 26.821 -7.642 1.00 1.45 N ATOM 820 CA GLU A 54 -10.516 27.886 -7.273 1.00 1.64 C ATOM 821 C GLU A 54 -10.200 28.642 -5.951 1.00 1.67 C ATOM 822 O GLU A 54 -11.109 29.185 -5.309 1.00 1.91 O ATOM 823 CB GLU A 54 -11.945 27.347 -7.137 1.00 1.77 C ATOM 824 CG GLU A 54 -12.583 26.411 -8.158 1.00 2.21 C ATOM 825 CD GLU A 54 -13.967 25.976 -7.640 1.00 2.51 C ATOM 826 OE1 GLU A 54 -14.390 26.475 -6.560 1.00 2.80 O ATOM 827 OE2 GLU A 54 -14.589 25.137 -8.316 1.00 3.40 O ATOM 0 H GLU A 54 -9.151 26.965 -8.566 1.00 1.45 H new ATOM 0 HA GLU A 54 -10.419 28.589 -8.100 1.00 1.64 H new ATOM 0 HB2 GLU A 54 -11.991 26.834 -6.176 1.00 1.77 H new ATOM 0 HB3 GLU A 54 -12.598 28.217 -7.065 1.00 1.77 H new ATOM 0 HG2 GLU A 54 -12.682 26.914 -9.120 1.00 2.21 H new ATOM 0 HG3 GLU A 54 -11.949 25.539 -8.318 1.00 2.21 H new ATOM 834 N GLY A 55 -8.950 28.608 -5.481 1.00 1.55 N ATOM 835 CA GLY A 55 -8.570 29.142 -4.162 1.00 1.60 C ATOM 836 C GLY A 55 -8.947 28.229 -2.984 1.00 1.45 C ATOM 837 O GLY A 55 -9.052 28.697 -1.851 1.00 1.62 O ATOM 0 H GLY A 55 -8.169 28.210 -6.002 1.00 1.55 H new ATOM 0 HA2 GLY A 55 -7.493 29.311 -4.147 1.00 1.60 H new ATOM 0 HA3 GLY A 55 -9.047 30.112 -4.023 1.00 1.60 H new ATOM 841 N LYS A 56 -9.200 26.938 -3.232 1.00 1.26 N ATOM 842 CA LYS A 56 -9.566 25.932 -2.241 1.00 1.21 C ATOM 843 C LYS A 56 -8.385 24.966 -2.108 1.00 0.95 C ATOM 844 O LYS A 56 -8.006 24.280 -3.061 1.00 0.89 O ATOM 845 CB LYS A 56 -10.844 25.157 -2.629 1.00 1.50 C ATOM 846 CG LYS A 56 -11.989 25.962 -3.256 1.00 2.08 C ATOM 847 CD LYS A 56 -12.523 27.158 -2.461 1.00 1.80 C ATOM 848 CE LYS A 56 -13.813 27.736 -3.078 1.00 2.37 C ATOM 849 NZ LYS A 56 -13.680 28.087 -4.516 1.00 2.71 N ATOM 0 H LYS A 56 -9.151 26.554 -4.176 1.00 1.26 H new ATOM 0 HA LYS A 56 -9.784 26.428 -1.295 1.00 1.21 H new ATOM 0 HB2 LYS A 56 -10.562 24.370 -3.328 1.00 1.50 H new ATOM 0 HB3 LYS A 56 -11.227 24.667 -1.734 1.00 1.50 H new ATOM 0 HG2 LYS A 56 -11.654 26.325 -4.228 1.00 2.08 H new ATOM 0 HG3 LYS A 56 -12.820 25.281 -3.440 1.00 2.08 H new ATOM 0 HD2 LYS A 56 -12.719 26.851 -1.434 1.00 1.80 H new ATOM 0 HD3 LYS A 56 -11.761 27.936 -2.421 1.00 1.80 H new ATOM 0 HE2 LYS A 56 -14.618 27.010 -2.963 1.00 2.37 H new ATOM 0 HE3 LYS A 56 -14.105 28.626 -2.521 1.00 2.37 H new ATOM 0 HZ1 LYS A 56 -14.362 28.835 -4.755 1.00 2.71 H new ATOM 0 HZ2 LYS A 56 -12.715 28.426 -4.703 1.00 2.71 H new ATOM 0 HZ3 LYS A 56 -13.870 27.246 -5.098 1.00 2.71 H new ATOM 863 N LYS A 57 -7.807 24.887 -0.916 1.00 1.02 N ATOM 864 CA LYS A 57 -6.789 23.894 -0.552 1.00 1.05 C ATOM 865 C LYS A 57 -7.474 22.519 -0.431 1.00 1.02 C ATOM 866 O LYS A 57 -8.393 22.362 0.369 1.00 1.13 O ATOM 867 CB LYS A 57 -6.076 24.274 0.770 1.00 1.24 C ATOM 868 CG LYS A 57 -5.751 25.760 1.016 1.00 2.09 C ATOM 869 CD LYS A 57 -4.966 26.436 -0.113 1.00 3.21 C ATOM 870 CE LYS A 57 -4.740 27.921 0.212 1.00 4.04 C ATOM 871 NZ LYS A 57 -4.414 28.687 -1.012 1.00 4.97 N ATOM 0 H LYS A 57 -8.035 25.525 -0.153 1.00 1.02 H new ATOM 0 HA LYS A 57 -6.022 23.861 -1.326 1.00 1.05 H new ATOM 0 HB2 LYS A 57 -6.697 23.927 1.596 1.00 1.24 H new ATOM 0 HB3 LYS A 57 -5.141 23.716 0.818 1.00 1.24 H new ATOM 0 HG2 LYS A 57 -6.684 26.302 1.167 1.00 2.09 H new ATOM 0 HG3 LYS A 57 -5.179 25.845 1.940 1.00 2.09 H new ATOM 0 HD2 LYS A 57 -4.007 25.936 -0.249 1.00 3.21 H new ATOM 0 HD3 LYS A 57 -5.511 26.341 -1.052 1.00 3.21 H new ATOM 0 HE2 LYS A 57 -5.634 28.335 0.678 1.00 4.04 H new ATOM 0 HE3 LYS A 57 -3.930 28.020 0.934 1.00 4.04 H new ATOM 0 HZ1 LYS A 57 -4.085 29.638 -0.749 1.00 4.97 H new ATOM 0 HZ2 LYS A 57 -3.665 28.195 -1.540 1.00 4.97 H new ATOM 0 HZ3 LYS A 57 -5.263 28.767 -1.608 1.00 4.97 H new ATOM 885 N VAL A 58 -7.064 21.556 -1.247 1.00 0.97 N ATOM 886 CA VAL A 58 -7.684 20.237 -1.399 1.00 0.95 C ATOM 887 C VAL A 58 -6.625 19.125 -1.420 1.00 0.89 C ATOM 888 O VAL A 58 -5.422 19.386 -1.407 1.00 1.05 O ATOM 889 CB VAL A 58 -8.545 20.196 -2.684 1.00 1.00 C ATOM 890 CG1 VAL A 58 -9.802 21.069 -2.558 1.00 2.15 C ATOM 891 CG2 VAL A 58 -7.775 20.561 -3.966 1.00 2.36 C ATOM 0 H VAL A 58 -6.251 21.675 -1.852 1.00 0.97 H new ATOM 0 HA VAL A 58 -8.330 20.063 -0.539 1.00 0.95 H new ATOM 0 HB VAL A 58 -8.844 19.152 -2.784 1.00 1.00 H new ATOM 0 HG11 VAL A 58 -10.378 21.012 -3.481 1.00 2.15 H new ATOM 0 HG12 VAL A 58 -10.411 20.712 -1.727 1.00 2.15 H new ATOM 0 HG13 VAL A 58 -9.510 22.103 -2.376 1.00 2.15 H new ATOM 0 HG21 VAL A 58 -8.448 20.509 -4.822 1.00 2.36 H new ATOM 0 HG22 VAL A 58 -7.379 21.573 -3.877 1.00 2.36 H new ATOM 0 HG23 VAL A 58 -6.952 19.860 -4.108 1.00 2.36 H new ATOM 901 N MET A 59 -7.074 17.871 -1.484 1.00 0.76 N ATOM 902 CA MET A 59 -6.232 16.684 -1.668 1.00 0.68 C ATOM 903 C MET A 59 -6.726 15.828 -2.839 1.00 0.62 C ATOM 904 O MET A 59 -7.846 16.005 -3.315 1.00 0.89 O ATOM 905 CB MET A 59 -6.159 15.862 -0.366 1.00 0.79 C ATOM 906 CG MET A 59 -5.305 16.573 0.689 1.00 0.95 C ATOM 907 SD MET A 59 -5.006 15.605 2.188 1.00 2.06 S ATOM 908 CE MET A 59 -6.634 15.748 2.967 1.00 2.55 C ATOM 0 H MET A 59 -8.065 17.644 -1.407 1.00 0.76 H new ATOM 0 HA MET A 59 -5.224 17.020 -1.912 1.00 0.68 H new ATOM 0 HB2 MET A 59 -7.164 15.702 0.023 1.00 0.79 H new ATOM 0 HB3 MET A 59 -5.738 14.879 -0.576 1.00 0.79 H new ATOM 0 HG2 MET A 59 -4.345 16.836 0.244 1.00 0.95 H new ATOM 0 HG3 MET A 59 -5.795 17.506 0.966 1.00 0.95 H new ATOM 0 HE1 MET A 59 -6.512 15.921 4.036 1.00 2.55 H new ATOM 0 HE2 MET A 59 -7.177 16.583 2.524 1.00 2.55 H new ATOM 0 HE3 MET A 59 -7.194 14.826 2.811 1.00 2.55 H new ATOM 918 N GLY A 60 -5.870 14.924 -3.315 1.00 0.45 N ATOM 919 CA GLY A 60 -6.127 14.024 -4.440 1.00 0.48 C ATOM 920 C GLY A 60 -5.270 12.765 -4.378 1.00 0.40 C ATOM 921 O GLY A 60 -4.538 12.545 -3.418 1.00 0.42 O ATOM 0 H GLY A 60 -4.942 14.793 -2.912 1.00 0.45 H new ATOM 0 HA2 GLY A 60 -7.180 13.744 -4.446 1.00 0.48 H new ATOM 0 HA3 GLY A 60 -5.931 14.549 -5.375 1.00 0.48 H new ATOM 925 N MET A 61 -5.374 11.908 -5.389 1.00 0.41 N ATOM 926 CA MET A 61 -4.694 10.607 -5.464 1.00 0.39 C ATOM 927 C MET A 61 -4.357 10.290 -6.924 1.00 0.43 C ATOM 928 O MET A 61 -5.094 10.702 -7.816 1.00 0.52 O ATOM 929 CB MET A 61 -5.640 9.574 -4.827 1.00 0.48 C ATOM 930 CG MET A 61 -5.357 8.099 -5.141 1.00 0.49 C ATOM 931 SD MET A 61 -6.715 6.936 -4.784 1.00 0.51 S ATOM 932 CE MET A 61 -7.392 7.597 -3.242 1.00 0.60 C ATOM 0 H MET A 61 -5.951 12.100 -6.208 1.00 0.41 H new ATOM 0 HA MET A 61 -3.747 10.599 -4.925 1.00 0.39 H new ATOM 0 HB2 MET A 61 -5.608 9.704 -3.745 1.00 0.48 H new ATOM 0 HB3 MET A 61 -6.657 9.801 -5.146 1.00 0.48 H new ATOM 0 HG2 MET A 61 -5.100 8.015 -6.197 1.00 0.49 H new ATOM 0 HG3 MET A 61 -4.480 7.788 -4.574 1.00 0.49 H new ATOM 0 HE1 MET A 61 -8.105 6.886 -2.823 1.00 0.60 H new ATOM 0 HE2 MET A 61 -6.583 7.761 -2.530 1.00 0.60 H new ATOM 0 HE3 MET A 61 -7.897 8.542 -3.442 1.00 0.60 H new ATOM 942 N ARG A 62 -3.266 9.549 -7.169 1.00 0.43 N ATOM 943 CA ARG A 62 -2.831 9.125 -8.515 1.00 0.47 C ATOM 944 C ARG A 62 -1.814 7.964 -8.454 1.00 0.54 C ATOM 945 O ARG A 62 -1.165 7.819 -7.413 1.00 0.61 O ATOM 946 CB ARG A 62 -2.329 10.351 -9.324 1.00 0.66 C ATOM 947 CG ARG A 62 -1.037 11.029 -8.840 1.00 1.62 C ATOM 948 CD ARG A 62 0.222 10.339 -9.367 1.00 2.93 C ATOM 949 NE ARG A 62 1.438 11.012 -8.912 1.00 3.89 N ATOM 950 CZ ARG A 62 2.685 10.665 -9.184 1.00 5.07 C ATOM 951 NH1 ARG A 62 2.983 9.791 -10.125 1.00 5.43 N ATOM 952 NH2 ARG A 62 3.645 11.170 -8.445 1.00 6.24 N ATOM 0 H ARG A 62 -2.648 9.220 -6.427 1.00 0.43 H new ATOM 0 HA ARG A 62 -3.689 8.719 -9.051 1.00 0.47 H new ATOM 0 HB2 ARG A 62 -2.179 10.036 -10.357 1.00 0.66 H new ATOM 0 HB3 ARG A 62 -3.122 11.099 -9.331 1.00 0.66 H new ATOM 0 HG2 ARG A 62 -1.036 12.071 -9.159 1.00 1.62 H new ATOM 0 HG3 ARG A 62 -1.018 11.029 -7.750 1.00 1.62 H new ATOM 0 HD2 ARG A 62 0.234 9.301 -9.035 1.00 2.93 H new ATOM 0 HD3 ARG A 62 0.200 10.324 -10.457 1.00 2.93 H new ATOM 0 HE ARG A 62 1.311 11.835 -8.323 1.00 3.89 H new ATOM 0 HH11 ARG A 62 2.239 9.357 -10.672 1.00 5.43 H new ATOM 0 HH12 ARG A 62 3.957 9.549 -10.306 1.00 5.43 H new ATOM 0 HH21 ARG A 62 3.420 11.812 -7.685 1.00 6.24 H new ATOM 0 HH22 ARG A 62 4.616 10.921 -8.631 1.00 6.24 H new ATOM 966 N PRO A 63 -1.635 7.162 -9.523 1.00 0.63 N ATOM 967 CA PRO A 63 -0.688 6.054 -9.520 1.00 0.69 C ATOM 968 C PRO A 63 0.772 6.495 -9.671 1.00 0.71 C ATOM 969 O PRO A 63 1.070 7.520 -10.289 1.00 0.75 O ATOM 970 CB PRO A 63 -1.129 5.121 -10.644 1.00 0.78 C ATOM 971 CG PRO A 63 -1.754 6.083 -11.652 1.00 0.74 C ATOM 972 CD PRO A 63 -2.423 7.126 -10.751 1.00 0.65 C ATOM 0 HA PRO A 63 -0.704 5.550 -8.554 1.00 0.69 H new ATOM 0 HB2 PRO A 63 -0.287 4.576 -11.072 1.00 0.78 H new ATOM 0 HB3 PRO A 63 -1.846 4.377 -10.295 1.00 0.78 H new ATOM 0 HG2 PRO A 63 -1.003 6.532 -12.303 1.00 0.74 H new ATOM 0 HG3 PRO A 63 -2.476 5.582 -12.296 1.00 0.74 H new ATOM 0 HD2 PRO A 63 -2.440 8.104 -11.232 1.00 0.65 H new ATOM 0 HD3 PRO A 63 -3.458 6.855 -10.543 1.00 0.65 H new ATOM 980 N VAL A 64 1.673 5.690 -9.105 1.00 0.73 N ATOM 981 CA VAL A 64 3.140 5.864 -9.152 1.00 0.75 C ATOM 982 C VAL A 64 3.801 4.600 -9.737 1.00 0.67 C ATOM 983 O VAL A 64 3.234 3.517 -9.601 1.00 0.63 O ATOM 984 CB VAL A 64 3.736 6.200 -7.759 1.00 0.78 C ATOM 985 CG1 VAL A 64 3.310 7.603 -7.305 1.00 0.96 C ATOM 986 CG2 VAL A 64 3.407 5.185 -6.660 1.00 0.82 C ATOM 0 H VAL A 64 1.397 4.862 -8.577 1.00 0.73 H new ATOM 0 HA VAL A 64 3.352 6.714 -9.800 1.00 0.75 H new ATOM 0 HB VAL A 64 4.816 6.157 -7.902 1.00 0.78 H new ATOM 0 HG11 VAL A 64 3.740 7.815 -6.326 1.00 0.96 H new ATOM 0 HG12 VAL A 64 3.664 8.341 -8.025 1.00 0.96 H new ATOM 0 HG13 VAL A 64 2.223 7.650 -7.241 1.00 0.96 H new ATOM 0 HG21 VAL A 64 3.865 5.502 -5.723 1.00 0.82 H new ATOM 0 HG22 VAL A 64 2.326 5.124 -6.533 1.00 0.82 H new ATOM 0 HG23 VAL A 64 3.796 4.206 -6.941 1.00 0.82 H new ATOM 996 N PRO A 65 4.975 4.704 -10.399 1.00 0.69 N ATOM 997 CA PRO A 65 5.604 3.578 -11.090 1.00 0.70 C ATOM 998 C PRO A 65 6.230 2.581 -10.116 1.00 0.59 C ATOM 999 O PRO A 65 6.285 1.396 -10.427 1.00 0.55 O ATOM 1000 CB PRO A 65 6.647 4.210 -12.016 1.00 0.84 C ATOM 1001 CG PRO A 65 7.072 5.465 -11.261 1.00 0.84 C ATOM 1002 CD PRO A 65 5.780 5.907 -10.574 1.00 0.76 C ATOM 0 HA PRO A 65 4.873 2.992 -11.648 1.00 0.70 H new ATOM 0 HB2 PRO A 65 7.489 3.540 -12.189 1.00 0.84 H new ATOM 0 HB3 PRO A 65 6.225 4.451 -12.992 1.00 0.84 H new ATOM 0 HG2 PRO A 65 7.861 5.254 -10.539 1.00 0.84 H new ATOM 0 HG3 PRO A 65 7.453 6.232 -11.935 1.00 0.84 H new ATOM 0 HD2 PRO A 65 5.992 6.376 -9.613 1.00 0.76 H new ATOM 0 HD3 PRO A 65 5.251 6.644 -11.178 1.00 0.76 H new ATOM 1010 N PHE A 66 6.668 3.059 -8.946 1.00 0.56 N ATOM 1011 CA PHE A 66 7.271 2.284 -7.861 1.00 0.48 C ATOM 1012 C PHE A 66 7.545 3.166 -6.634 1.00 0.49 C ATOM 1013 O PHE A 66 7.540 4.397 -6.726 1.00 0.55 O ATOM 1014 CB PHE A 66 8.570 1.603 -8.333 1.00 0.52 C ATOM 1015 CG PHE A 66 9.637 2.574 -8.777 1.00 0.59 C ATOM 1016 CD1 PHE A 66 10.470 3.174 -7.820 1.00 2.17 C ATOM 1017 CD2 PHE A 66 9.752 2.923 -10.132 1.00 1.55 C ATOM 1018 CE1 PHE A 66 11.403 4.145 -8.201 1.00 2.24 C ATOM 1019 CE2 PHE A 66 10.712 3.875 -10.525 1.00 1.54 C ATOM 1020 CZ PHE A 66 11.535 4.491 -9.559 1.00 0.77 C ATOM 0 H PHE A 66 6.607 4.052 -8.720 1.00 0.56 H new ATOM 0 HA PHE A 66 6.559 1.511 -7.570 1.00 0.48 H new ATOM 0 HB2 PHE A 66 8.964 0.990 -7.522 1.00 0.52 H new ATOM 0 HB3 PHE A 66 8.338 0.930 -9.158 1.00 0.52 H new ATOM 0 HD1 PHE A 66 10.390 2.884 -6.783 1.00 2.17 H new ATOM 0 HD2 PHE A 66 9.108 2.464 -10.868 1.00 1.55 H new ATOM 0 HE1 PHE A 66 12.019 4.627 -7.456 1.00 2.24 H new ATOM 0 HE2 PHE A 66 10.818 4.134 -11.568 1.00 1.54 H new ATOM 0 HZ PHE A 66 12.265 5.227 -9.861 1.00 0.77 H new ATOM 1030 N LEU A 67 7.861 2.518 -5.509 1.00 0.47 N ATOM 1031 CA LEU A 67 8.499 3.130 -4.340 1.00 0.53 C ATOM 1032 C LEU A 67 9.929 2.607 -4.173 1.00 0.60 C ATOM 1033 O LEU A 67 10.215 1.461 -4.517 1.00 0.64 O ATOM 1034 CB LEU A 67 7.712 2.813 -3.054 1.00 0.52 C ATOM 1035 CG LEU A 67 6.201 3.107 -3.050 1.00 0.48 C ATOM 1036 CD1 LEU A 67 5.691 2.936 -1.616 1.00 0.53 C ATOM 1037 CD2 LEU A 67 5.855 4.515 -3.535 1.00 0.50 C ATOM 0 H LEU A 67 7.674 1.523 -5.383 1.00 0.47 H new ATOM 0 HA LEU A 67 8.513 4.208 -4.503 1.00 0.53 H new ATOM 0 HB2 LEU A 67 7.849 1.755 -2.829 1.00 0.52 H new ATOM 0 HB3 LEU A 67 8.165 3.374 -2.236 1.00 0.52 H new ATOM 0 HG LEU A 67 5.726 2.412 -3.743 1.00 0.48 H new ATOM 0 HD11 LEU A 67 4.621 3.139 -1.584 1.00 0.53 H new ATOM 0 HD12 LEU A 67 5.877 1.915 -1.283 1.00 0.53 H new ATOM 0 HD13 LEU A 67 6.212 3.632 -0.959 1.00 0.53 H new ATOM 0 HD21 LEU A 67 4.774 4.654 -3.506 1.00 0.50 H new ATOM 0 HD22 LEU A 67 6.333 5.250 -2.888 1.00 0.50 H new ATOM 0 HD23 LEU A 67 6.211 4.645 -4.557 1.00 0.50 H new ATOM 1049 N GLU A 68 10.801 3.439 -3.614 1.00 0.63 N ATOM 1050 CA GLU A 68 12.206 3.123 -3.354 1.00 0.67 C ATOM 1051 C GLU A 68 12.427 3.080 -1.841 1.00 0.75 C ATOM 1052 O GLU A 68 11.901 3.941 -1.134 1.00 0.82 O ATOM 1053 CB GLU A 68 13.102 4.221 -3.960 1.00 0.86 C ATOM 1054 CG GLU A 68 14.611 3.924 -3.859 1.00 0.86 C ATOM 1055 CD GLU A 68 15.108 2.956 -4.941 1.00 0.98 C ATOM 1056 OE1 GLU A 68 14.290 2.214 -5.523 1.00 1.94 O ATOM 1057 OE2 GLU A 68 16.311 2.974 -5.275 1.00 1.77 O ATOM 0 H GLU A 68 10.545 4.381 -3.319 1.00 0.63 H new ATOM 0 HA GLU A 68 12.456 2.161 -3.801 1.00 0.67 H new ATOM 0 HB2 GLU A 68 12.838 4.354 -5.009 1.00 0.86 H new ATOM 0 HB3 GLU A 68 12.893 5.165 -3.457 1.00 0.86 H new ATOM 0 HG2 GLU A 68 15.165 4.860 -3.935 1.00 0.86 H new ATOM 0 HG3 GLU A 68 14.828 3.504 -2.877 1.00 0.86 H new ATOM 1064 N VAL A 69 13.244 2.136 -1.360 1.00 0.79 N ATOM 1065 CA VAL A 69 13.759 2.171 0.017 1.00 0.83 C ATOM 1066 C VAL A 69 15.241 1.757 0.069 1.00 0.86 C ATOM 1067 O VAL A 69 15.573 0.655 -0.374 1.00 0.98 O ATOM 1068 CB VAL A 69 12.912 1.301 0.986 1.00 0.84 C ATOM 1069 CG1 VAL A 69 13.395 1.420 2.442 1.00 0.88 C ATOM 1070 CG2 VAL A 69 11.416 1.662 0.973 1.00 0.90 C ATOM 0 H VAL A 69 13.565 1.335 -1.905 1.00 0.79 H new ATOM 0 HA VAL A 69 13.678 3.204 0.355 1.00 0.83 H new ATOM 0 HB VAL A 69 13.044 0.283 0.619 1.00 0.84 H new ATOM 0 HG11 VAL A 69 12.774 0.795 3.084 1.00 0.88 H new ATOM 0 HG12 VAL A 69 14.432 1.091 2.509 1.00 0.88 H new ATOM 0 HG13 VAL A 69 13.322 2.458 2.766 1.00 0.88 H new ATOM 0 HG21 VAL A 69 10.880 1.018 1.671 1.00 0.90 H new ATOM 0 HG22 VAL A 69 11.290 2.703 1.270 1.00 0.90 H new ATOM 0 HG23 VAL A 69 11.016 1.521 -0.031 1.00 0.90 H new ATOM 1080 N PRO A 70 16.141 2.599 0.623 1.00 0.82 N ATOM 1081 CA PRO A 70 17.571 2.306 0.728 1.00 0.87 C ATOM 1082 C PRO A 70 17.853 1.218 1.785 1.00 0.87 C ATOM 1083 O PRO A 70 16.992 0.961 2.628 1.00 0.89 O ATOM 1084 CB PRO A 70 18.225 3.643 1.105 1.00 0.90 C ATOM 1085 CG PRO A 70 17.137 4.345 1.911 1.00 0.85 C ATOM 1086 CD PRO A 70 15.861 3.910 1.198 1.00 0.82 C ATOM 0 HA PRO A 70 17.971 1.909 -0.205 1.00 0.87 H new ATOM 0 HB2 PRO A 70 19.131 3.497 1.693 1.00 0.90 H new ATOM 0 HB3 PRO A 70 18.507 4.217 0.222 1.00 0.90 H new ATOM 0 HG2 PRO A 70 17.143 4.035 2.956 1.00 0.85 H new ATOM 0 HG3 PRO A 70 17.259 5.428 1.899 1.00 0.85 H new ATOM 0 HD2 PRO A 70 15.024 3.859 1.895 1.00 0.82 H new ATOM 0 HD3 PRO A 70 15.586 4.624 0.422 1.00 0.82 H new ATOM 1094 N PRO A 71 19.044 0.585 1.764 1.00 0.92 N ATOM 1095 CA PRO A 71 19.420 -0.466 2.708 1.00 0.94 C ATOM 1096 C PRO A 71 19.429 0.022 4.158 1.00 0.92 C ATOM 1097 O PRO A 71 19.738 1.181 4.430 1.00 0.93 O ATOM 1098 CB PRO A 71 20.788 -0.969 2.254 1.00 1.03 C ATOM 1099 CG PRO A 71 21.361 0.171 1.417 1.00 1.06 C ATOM 1100 CD PRO A 71 20.119 0.812 0.810 1.00 1.00 C ATOM 0 HA PRO A 71 18.686 -1.272 2.703 1.00 0.94 H new ATOM 0 HB2 PRO A 71 21.429 -1.196 3.106 1.00 1.03 H new ATOM 0 HB3 PRO A 71 20.699 -1.884 1.669 1.00 1.03 H new ATOM 0 HG2 PRO A 71 21.922 0.878 2.029 1.00 1.06 H new ATOM 0 HG3 PRO A 71 22.042 -0.196 0.649 1.00 1.06 H new ATOM 0 HD2 PRO A 71 20.273 1.878 0.642 1.00 1.00 H new ATOM 0 HD3 PRO A 71 19.883 0.367 -0.157 1.00 1.00 H new ATOM 1108 N LYS A 72 19.036 -0.869 5.080 1.00 0.94 N ATOM 1109 CA LYS A 72 18.903 -0.658 6.539 1.00 1.01 C ATOM 1110 C LYS A 72 17.819 0.351 6.958 1.00 1.06 C ATOM 1111 O LYS A 72 17.500 0.463 8.142 1.00 1.22 O ATOM 1112 CB LYS A 72 20.272 -0.329 7.155 1.00 1.11 C ATOM 1113 CG LYS A 72 21.072 -1.572 7.549 1.00 1.74 C ATOM 1114 CD LYS A 72 21.203 -2.675 6.487 1.00 1.14 C ATOM 1115 CE LYS A 72 22.024 -3.848 7.034 1.00 1.79 C ATOM 1116 NZ LYS A 72 22.084 -4.954 6.054 1.00 1.92 N ATOM 0 H LYS A 72 18.785 -1.821 4.814 1.00 0.94 H new ATOM 0 HA LYS A 72 18.544 -1.603 6.945 1.00 1.01 H new ATOM 0 HB2 LYS A 72 20.852 0.257 6.442 1.00 1.11 H new ATOM 0 HB3 LYS A 72 20.126 0.295 8.037 1.00 1.11 H new ATOM 0 HG2 LYS A 72 22.075 -1.254 7.835 1.00 1.74 H new ATOM 0 HG3 LYS A 72 20.610 -2.007 8.436 1.00 1.74 H new ATOM 0 HD2 LYS A 72 20.213 -3.022 6.190 1.00 1.14 H new ATOM 0 HD3 LYS A 72 21.681 -2.274 5.593 1.00 1.14 H new ATOM 0 HE2 LYS A 72 23.033 -3.511 7.270 1.00 1.79 H new ATOM 0 HE3 LYS A 72 21.581 -4.205 7.964 1.00 1.79 H new ATOM 0 HZ1 LYS A 72 22.928 -5.533 6.236 1.00 1.92 H new ATOM 0 HZ2 LYS A 72 21.233 -5.545 6.145 1.00 1.92 H new ATOM 0 HZ3 LYS A 72 22.133 -4.563 5.092 1.00 1.92 H new ATOM 1130 N GLY A 73 17.235 1.061 5.999 1.00 1.03 N ATOM 1131 CA GLY A 73 16.104 1.983 6.186 1.00 1.11 C ATOM 1132 C GLY A 73 14.756 1.260 6.278 1.00 1.03 C ATOM 1133 O GLY A 73 14.638 0.092 5.911 1.00 0.97 O ATOM 0 H GLY A 73 17.544 1.013 5.028 1.00 1.03 H new ATOM 0 HA2 GLY A 73 16.262 2.564 7.094 1.00 1.11 H new ATOM 0 HA3 GLY A 73 16.076 2.689 5.356 1.00 1.11 H new ATOM 1137 N ARG A 74 13.720 1.975 6.731 1.00 1.17 N ATOM 1138 CA ARG A 74 12.318 1.523 6.711 1.00 1.10 C ATOM 1139 C ARG A 74 11.378 2.700 6.447 1.00 1.54 C ATOM 1140 O ARG A 74 11.665 3.807 6.902 1.00 2.07 O ATOM 1141 CB ARG A 74 11.951 0.759 8.002 1.00 1.51 C ATOM 1142 CG ARG A 74 11.936 1.583 9.303 1.00 1.65 C ATOM 1143 CD ARG A 74 10.591 2.196 9.648 1.00 1.75 C ATOM 1144 NE ARG A 74 10.716 3.243 10.680 1.00 3.08 N ATOM 1145 CZ ARG A 74 9.785 4.142 10.976 1.00 4.32 C ATOM 1146 NH1 ARG A 74 8.610 4.142 10.393 1.00 4.52 N ATOM 1147 NH2 ARG A 74 10.021 5.068 11.881 1.00 5.82 N ATOM 0 H ARG A 74 13.832 2.906 7.132 1.00 1.17 H new ATOM 0 HA ARG A 74 12.197 0.817 5.889 1.00 1.10 H new ATOM 0 HB2 ARG A 74 10.965 0.314 7.868 1.00 1.51 H new ATOM 0 HB3 ARG A 74 12.657 -0.062 8.126 1.00 1.51 H new ATOM 0 HG2 ARG A 74 12.250 0.942 10.127 1.00 1.65 H new ATOM 0 HG3 ARG A 74 12.674 2.381 9.220 1.00 1.65 H new ATOM 0 HD2 ARG A 74 10.144 2.622 8.750 1.00 1.75 H new ATOM 0 HD3 ARG A 74 9.916 1.416 10.001 1.00 1.75 H new ATOM 0 HE ARG A 74 11.588 3.279 11.208 1.00 3.08 H new ATOM 0 HH11 ARG A 74 8.390 3.437 9.689 1.00 4.52 H new ATOM 0 HH12 ARG A 74 7.917 4.847 10.643 1.00 4.52 H new ATOM 0 HH21 ARG A 74 10.922 5.097 12.358 1.00 5.82 H new ATOM 0 HH22 ARG A 74 9.303 5.757 12.105 1.00 5.82 H new ATOM 1161 N VAL A 75 10.295 2.451 5.714 1.00 1.56 N ATOM 1162 CA VAL A 75 9.309 3.438 5.246 1.00 2.17 C ATOM 1163 C VAL A 75 8.001 2.692 4.975 1.00 1.59 C ATOM 1164 O VAL A 75 7.992 1.725 4.220 1.00 1.54 O ATOM 1165 CB VAL A 75 9.741 4.168 3.941 1.00 3.00 C ATOM 1166 CG1 VAL A 75 8.695 5.219 3.522 1.00 3.71 C ATOM 1167 CG2 VAL A 75 11.105 4.875 4.033 1.00 3.61 C ATOM 0 H VAL A 75 10.064 1.505 5.411 1.00 1.56 H new ATOM 0 HA VAL A 75 9.206 4.201 6.018 1.00 2.17 H new ATOM 0 HB VAL A 75 9.824 3.373 3.200 1.00 3.00 H new ATOM 0 HG11 VAL A 75 9.022 5.714 2.608 1.00 3.71 H new ATOM 0 HG12 VAL A 75 7.737 4.729 3.347 1.00 3.71 H new ATOM 0 HG13 VAL A 75 8.585 5.959 4.315 1.00 3.71 H new ATOM 0 HG21 VAL A 75 11.329 5.358 3.082 1.00 3.61 H new ATOM 0 HG22 VAL A 75 11.073 5.626 4.823 1.00 3.61 H new ATOM 0 HG23 VAL A 75 11.880 4.143 4.260 1.00 3.61 H new ATOM 1177 N GLU A 76 6.897 3.115 5.574 1.00 1.55 N ATOM 1178 CA GLU A 76 5.581 2.503 5.369 1.00 1.14 C ATOM 1179 C GLU A 76 4.803 3.187 4.232 1.00 0.99 C ATOM 1180 O GLU A 76 5.025 4.365 3.936 1.00 1.09 O ATOM 1181 CB GLU A 76 4.776 2.541 6.679 1.00 1.56 C ATOM 1182 CG GLU A 76 5.469 1.837 7.861 1.00 2.51 C ATOM 1183 CD GLU A 76 6.654 2.579 8.485 1.00 2.69 C ATOM 1184 OE1 GLU A 76 6.821 3.795 8.254 1.00 2.60 O ATOM 1185 OE2 GLU A 76 7.449 1.930 9.200 1.00 4.01 O ATOM 0 H GLU A 76 6.884 3.901 6.224 1.00 1.55 H new ATOM 0 HA GLU A 76 5.735 1.465 5.074 1.00 1.14 H new ATOM 0 HB2 GLU A 76 4.588 3.580 6.948 1.00 1.56 H new ATOM 0 HB3 GLU A 76 3.805 2.075 6.510 1.00 1.56 H new ATOM 0 HG2 GLU A 76 4.726 1.661 8.639 1.00 2.51 H new ATOM 0 HG3 GLU A 76 5.815 0.860 7.524 1.00 2.51 H new ATOM 1192 N LEU A 77 3.831 2.482 3.631 1.00 0.84 N ATOM 1193 CA LEU A 77 2.814 3.097 2.775 1.00 0.75 C ATOM 1194 C LEU A 77 1.859 3.918 3.658 1.00 1.03 C ATOM 1195 O LEU A 77 0.740 3.524 3.969 1.00 2.09 O ATOM 1196 CB LEU A 77 2.087 2.046 1.915 1.00 0.69 C ATOM 1197 CG LEU A 77 2.861 1.605 0.654 1.00 0.67 C ATOM 1198 CD1 LEU A 77 3.945 0.543 0.899 1.00 0.73 C ATOM 1199 CD2 LEU A 77 1.860 1.092 -0.380 1.00 0.94 C ATOM 0 H LEU A 77 3.732 1.471 3.727 1.00 0.84 H new ATOM 0 HA LEU A 77 3.287 3.772 2.062 1.00 0.75 H new ATOM 0 HB2 LEU A 77 1.887 1.168 2.529 1.00 0.69 H new ATOM 0 HB3 LEU A 77 1.121 2.449 1.611 1.00 0.69 H new ATOM 0 HG LEU A 77 3.397 2.485 0.298 1.00 0.67 H new ATOM 0 HD11 LEU A 77 4.433 0.297 -0.044 1.00 0.73 H new ATOM 0 HD12 LEU A 77 4.684 0.932 1.600 1.00 0.73 H new ATOM 0 HD13 LEU A 77 3.488 -0.355 1.315 1.00 0.73 H new ATOM 0 HD21 LEU A 77 2.393 0.777 -1.277 1.00 0.94 H new ATOM 0 HD22 LEU A 77 1.312 0.245 0.033 1.00 0.94 H new ATOM 0 HD23 LEU A 77 1.160 1.888 -0.635 1.00 0.94 H new ATOM 1211 N LYS A 78 2.356 5.055 4.133 1.00 0.83 N ATOM 1212 CA LYS A 78 1.682 5.936 5.077 1.00 0.99 C ATOM 1213 C LYS A 78 0.307 6.394 4.540 1.00 0.86 C ATOM 1214 O LYS A 78 0.267 6.946 3.440 1.00 0.88 O ATOM 1215 CB LYS A 78 2.643 7.101 5.412 1.00 1.34 C ATOM 1216 CG LYS A 78 3.031 7.983 4.203 1.00 1.22 C ATOM 1217 CD LYS A 78 4.245 8.879 4.494 1.00 1.73 C ATOM 1218 CE LYS A 78 4.630 9.735 3.272 1.00 2.91 C ATOM 1219 NZ LYS A 78 3.716 10.889 3.067 1.00 4.76 N ATOM 0 H LYS A 78 3.276 5.401 3.859 1.00 0.83 H new ATOM 0 HA LYS A 78 1.451 5.408 6.002 1.00 0.99 H new ATOM 0 HB2 LYS A 78 2.179 7.731 6.171 1.00 1.34 H new ATOM 0 HB3 LYS A 78 3.552 6.690 5.852 1.00 1.34 H new ATOM 0 HG2 LYS A 78 3.251 7.345 3.347 1.00 1.22 H new ATOM 0 HG3 LYS A 78 2.181 8.607 3.925 1.00 1.22 H new ATOM 0 HD2 LYS A 78 4.022 9.531 5.339 1.00 1.73 H new ATOM 0 HD3 LYS A 78 5.093 8.259 4.785 1.00 1.73 H new ATOM 0 HE2 LYS A 78 5.649 10.102 3.397 1.00 2.91 H new ATOM 0 HE3 LYS A 78 4.624 9.109 2.379 1.00 2.91 H new ATOM 0 HZ1 LYS A 78 3.612 11.073 2.049 1.00 4.76 H new ATOM 0 HZ2 LYS A 78 2.785 10.672 3.476 1.00 4.76 H new ATOM 0 HZ3 LYS A 78 4.111 11.731 3.532 1.00 4.76 H new ATOM 1233 N PRO A 79 -0.793 6.285 5.318 1.00 1.03 N ATOM 1234 CA PRO A 79 -2.125 6.708 4.874 1.00 1.19 C ATOM 1235 C PRO A 79 -2.161 8.189 4.485 1.00 1.15 C ATOM 1236 O PRO A 79 -2.838 8.549 3.528 1.00 2.01 O ATOM 1237 CB PRO A 79 -3.073 6.390 6.035 1.00 1.55 C ATOM 1238 CG PRO A 79 -2.156 6.402 7.253 1.00 1.53 C ATOM 1239 CD PRO A 79 -0.858 5.821 6.697 1.00 1.35 C ATOM 0 HA PRO A 79 -2.424 6.179 3.969 1.00 1.19 H new ATOM 0 HB2 PRO A 79 -3.866 7.133 6.122 1.00 1.55 H new ATOM 0 HB3 PRO A 79 -3.556 5.422 5.905 1.00 1.55 H new ATOM 0 HG2 PRO A 79 -2.015 7.409 7.644 1.00 1.53 H new ATOM 0 HG3 PRO A 79 -2.555 5.797 8.067 1.00 1.53 H new ATOM 0 HD2 PRO A 79 0.004 6.164 7.269 1.00 1.35 H new ATOM 0 HD3 PRO A 79 -0.861 4.732 6.747 1.00 1.35 H new ATOM 1247 N GLY A 80 -1.354 9.026 5.151 1.00 1.19 N ATOM 1248 CA GLY A 80 -1.049 10.382 4.698 1.00 1.46 C ATOM 1249 C GLY A 80 0.012 10.395 3.594 1.00 1.50 C ATOM 1250 O GLY A 80 1.059 11.018 3.770 1.00 2.53 O ATOM 0 H GLY A 80 -0.893 8.775 6.026 1.00 1.19 H new ATOM 0 HA2 GLY A 80 -1.960 10.855 4.330 1.00 1.46 H new ATOM 0 HA3 GLY A 80 -0.700 10.976 5.543 1.00 1.46 H new ATOM 1254 N GLY A 81 -0.222 9.703 2.470 1.00 0.77 N ATOM 1255 CA GLY A 81 0.448 9.971 1.186 1.00 0.74 C ATOM 1256 C GLY A 81 0.799 8.806 0.256 1.00 0.89 C ATOM 1257 O GLY A 81 1.130 9.072 -0.893 1.00 2.06 O ATOM 0 H GLY A 81 -0.889 8.933 2.425 1.00 0.77 H new ATOM 0 HA2 GLY A 81 -0.187 10.656 0.624 1.00 0.74 H new ATOM 0 HA3 GLY A 81 1.374 10.502 1.406 1.00 0.74 H new ATOM 1261 N TYR A 82 0.717 7.541 0.677 1.00 0.80 N ATOM 1262 CA TYR A 82 0.870 6.352 -0.187 1.00 0.77 C ATOM 1263 C TYR A 82 -0.047 5.197 0.228 1.00 0.83 C ATOM 1264 O TYR A 82 -0.335 5.010 1.405 1.00 1.08 O ATOM 1265 CB TYR A 82 2.317 5.844 -0.191 1.00 0.94 C ATOM 1266 CG TYR A 82 3.278 6.803 -0.850 1.00 0.96 C ATOM 1267 CD1 TYR A 82 3.362 6.851 -2.254 1.00 1.51 C ATOM 1268 CD2 TYR A 82 4.019 7.700 -0.064 1.00 2.26 C ATOM 1269 CE1 TYR A 82 4.167 7.817 -2.876 1.00 1.49 C ATOM 1270 CE2 TYR A 82 4.815 8.680 -0.680 1.00 2.37 C ATOM 1271 CZ TYR A 82 4.880 8.752 -2.090 1.00 1.16 C ATOM 1272 OH TYR A 82 5.612 9.731 -2.680 1.00 1.33 O ATOM 0 H TYR A 82 0.538 7.302 1.652 1.00 0.80 H new ATOM 0 HA TYR A 82 0.587 6.681 -1.187 1.00 0.77 H new ATOM 0 HB2 TYR A 82 2.637 5.667 0.836 1.00 0.94 H new ATOM 0 HB3 TYR A 82 2.358 4.885 -0.708 1.00 0.94 H new ATOM 0 HD1 TYR A 82 2.807 6.144 -2.853 1.00 1.51 H new ATOM 0 HD2 TYR A 82 3.977 7.637 1.013 1.00 2.26 H new ATOM 0 HE1 TYR A 82 4.242 7.847 -3.953 1.00 1.49 H new ATOM 0 HE2 TYR A 82 5.377 9.378 -0.077 1.00 2.37 H new ATOM 0 HH TYR A 82 6.035 10.284 -1.990 1.00 1.33 H new ATOM 1282 N HIS A 83 -0.513 4.414 -0.741 1.00 0.66 N ATOM 1283 CA HIS A 83 -1.272 3.182 -0.507 1.00 0.58 C ATOM 1284 C HIS A 83 -1.281 2.297 -1.765 1.00 0.44 C ATOM 1285 O HIS A 83 -1.230 2.819 -2.881 1.00 0.45 O ATOM 1286 CB HIS A 83 -2.694 3.519 -0.033 1.00 0.67 C ATOM 1287 CG HIS A 83 -3.455 4.365 -1.012 1.00 0.58 C ATOM 1288 ND1 HIS A 83 -3.313 5.725 -1.208 1.00 0.58 N ATOM 1289 CD2 HIS A 83 -4.291 3.900 -1.986 1.00 0.56 C ATOM 1290 CE1 HIS A 83 -4.014 6.056 -2.301 1.00 0.49 C ATOM 1291 NE2 HIS A 83 -4.658 4.986 -2.772 1.00 0.53 N ATOM 0 H HIS A 83 -0.373 4.619 -1.730 1.00 0.66 H new ATOM 0 HA HIS A 83 -0.784 2.610 0.282 1.00 0.58 H new ATOM 0 HB2 HIS A 83 -3.242 2.593 0.141 1.00 0.67 H new ATOM 0 HB3 HIS A 83 -2.638 4.040 0.923 1.00 0.67 H new ATOM 0 HD1 HIS A 83 -2.771 6.363 -0.625 1.00 0.58 H new ATOM 0 HD2 HIS A 83 -4.609 2.877 -2.121 1.00 0.56 H new ATOM 0 HE1 HIS A 83 -4.052 7.043 -2.737 1.00 0.49 H new ATOM 1299 N PHE A 84 -1.470 0.984 -1.604 1.00 0.40 N ATOM 1300 CA PHE A 84 -1.971 0.175 -2.716 1.00 0.40 C ATOM 1301 C PHE A 84 -3.486 0.370 -2.816 1.00 0.39 C ATOM 1302 O PHE A 84 -4.161 0.416 -1.793 1.00 0.45 O ATOM 1303 CB PHE A 84 -1.638 -1.314 -2.543 1.00 0.46 C ATOM 1304 CG PHE A 84 -0.182 -1.651 -2.774 1.00 0.49 C ATOM 1305 CD1 PHE A 84 0.303 -1.891 -4.073 1.00 1.58 C ATOM 1306 CD2 PHE A 84 0.697 -1.711 -1.682 1.00 1.43 C ATOM 1307 CE1 PHE A 84 1.664 -2.184 -4.274 1.00 1.62 C ATOM 1308 CE2 PHE A 84 2.060 -1.984 -1.883 1.00 1.45 C ATOM 1309 CZ PHE A 84 2.544 -2.216 -3.178 1.00 0.67 C ATOM 0 H PHE A 84 -1.290 0.471 -0.741 1.00 0.40 H new ATOM 0 HA PHE A 84 -1.482 0.504 -3.633 1.00 0.40 H new ATOM 0 HB2 PHE A 84 -1.916 -1.623 -1.535 1.00 0.46 H new ATOM 0 HB3 PHE A 84 -2.249 -1.895 -3.234 1.00 0.46 H new ATOM 0 HD1 PHE A 84 -0.370 -1.850 -4.916 1.00 1.58 H new ATOM 0 HD2 PHE A 84 0.324 -1.546 -0.682 1.00 1.43 H new ATOM 0 HE1 PHE A 84 2.033 -2.384 -5.269 1.00 1.62 H new ATOM 0 HE2 PHE A 84 2.735 -2.015 -1.040 1.00 1.45 H new ATOM 0 HZ PHE A 84 3.593 -2.419 -3.334 1.00 0.67 H new ATOM 1319 N MET A 85 -4.030 0.449 -4.028 1.00 0.39 N ATOM 1320 CA MET A 85 -5.446 0.251 -4.333 1.00 0.41 C ATOM 1321 C MET A 85 -5.667 -1.243 -4.558 1.00 0.36 C ATOM 1322 O MET A 85 -4.899 -1.866 -5.287 1.00 0.41 O ATOM 1323 CB MET A 85 -5.868 1.024 -5.584 1.00 0.53 C ATOM 1324 CG MET A 85 -7.268 1.618 -5.399 1.00 0.69 C ATOM 1325 SD MET A 85 -7.323 2.961 -4.175 1.00 0.55 S ATOM 1326 CE MET A 85 -9.095 2.988 -3.779 1.00 0.58 C ATOM 0 H MET A 85 -3.475 0.661 -4.857 1.00 0.39 H new ATOM 0 HA MET A 85 -6.047 0.622 -3.503 1.00 0.41 H new ATOM 0 HB2 MET A 85 -5.152 1.821 -5.786 1.00 0.53 H new ATOM 0 HB3 MET A 85 -5.859 0.361 -6.449 1.00 0.53 H new ATOM 0 HG2 MET A 85 -7.625 1.995 -6.358 1.00 0.69 H new ATOM 0 HG3 MET A 85 -7.953 0.828 -5.092 1.00 0.69 H new ATOM 0 HE1 MET A 85 -9.290 3.763 -3.038 1.00 0.58 H new ATOM 0 HE2 MET A 85 -9.667 3.198 -4.683 1.00 0.58 H new ATOM 0 HE3 MET A 85 -9.393 2.019 -3.378 1.00 0.58 H new ATOM 1336 N LEU A 86 -6.694 -1.815 -3.941 1.00 0.38 N ATOM 1337 CA LEU A 86 -7.046 -3.228 -4.062 1.00 0.39 C ATOM 1338 C LEU A 86 -8.400 -3.319 -4.763 1.00 0.39 C ATOM 1339 O LEU A 86 -9.381 -2.789 -4.246 1.00 0.48 O ATOM 1340 CB LEU A 86 -7.150 -3.848 -2.657 1.00 0.47 C ATOM 1341 CG LEU A 86 -5.837 -4.275 -1.970 1.00 0.49 C ATOM 1342 CD1 LEU A 86 -4.825 -3.136 -1.769 1.00 0.48 C ATOM 1343 CD2 LEU A 86 -6.172 -4.867 -0.595 1.00 0.63 C ATOM 0 H LEU A 86 -7.322 -1.297 -3.326 1.00 0.38 H new ATOM 0 HA LEU A 86 -6.288 -3.764 -4.633 1.00 0.39 H new ATOM 0 HB2 LEU A 86 -7.651 -3.130 -2.008 1.00 0.47 H new ATOM 0 HB3 LEU A 86 -7.796 -4.724 -2.722 1.00 0.47 H new ATOM 0 HG LEU A 86 -5.366 -4.998 -2.636 1.00 0.49 H new ATOM 0 HD11 LEU A 86 -3.932 -3.525 -1.280 1.00 0.48 H new ATOM 0 HD12 LEU A 86 -4.554 -2.715 -2.737 1.00 0.48 H new ATOM 0 HD13 LEU A 86 -5.270 -2.359 -1.147 1.00 0.48 H new ATOM 0 HD21 LEU A 86 -5.252 -5.174 -0.097 1.00 0.63 H new ATOM 0 HD22 LEU A 86 -6.679 -4.116 0.011 1.00 0.63 H new ATOM 0 HD23 LEU A 86 -6.823 -5.732 -0.720 1.00 0.63 H new ATOM 1355 N LEU A 87 -8.478 -3.977 -5.923 1.00 0.44 N ATOM 1356 CA LEU A 87 -9.742 -4.264 -6.606 1.00 0.44 C ATOM 1357 C LEU A 87 -9.944 -5.779 -6.713 1.00 0.49 C ATOM 1358 O LEU A 87 -8.989 -6.550 -6.838 1.00 0.60 O ATOM 1359 CB LEU A 87 -9.782 -3.620 -8.005 1.00 0.62 C ATOM 1360 CG LEU A 87 -9.819 -2.078 -8.067 1.00 0.78 C ATOM 1361 CD1 LEU A 87 -8.481 -1.383 -7.756 1.00 1.37 C ATOM 1362 CD2 LEU A 87 -10.249 -1.684 -9.487 1.00 1.60 C ATOM 0 H LEU A 87 -7.659 -4.328 -6.418 1.00 0.44 H new ATOM 0 HA LEU A 87 -10.552 -3.833 -6.018 1.00 0.44 H new ATOM 0 HB2 LEU A 87 -8.907 -3.960 -8.559 1.00 0.62 H new ATOM 0 HB3 LEU A 87 -10.659 -4.001 -8.528 1.00 0.62 H new ATOM 0 HG LEU A 87 -10.513 -1.749 -7.294 1.00 0.78 H new ATOM 0 HD11 LEU A 87 -8.608 -0.303 -7.825 1.00 1.37 H new ATOM 0 HD12 LEU A 87 -8.159 -1.647 -6.749 1.00 1.37 H new ATOM 0 HD13 LEU A 87 -7.727 -1.706 -8.474 1.00 1.37 H new ATOM 0 HD21 LEU A 87 -10.286 -0.598 -9.568 1.00 1.60 H new ATOM 0 HD22 LEU A 87 -9.531 -2.077 -10.207 1.00 1.60 H new ATOM 0 HD23 LEU A 87 -11.236 -2.097 -9.696 1.00 1.60 H new ATOM 1374 N GLY A 88 -11.209 -6.209 -6.675 1.00 0.53 N ATOM 1375 CA GLY A 88 -11.593 -7.618 -6.805 1.00 0.66 C ATOM 1376 C GLY A 88 -11.213 -8.437 -5.575 1.00 0.74 C ATOM 1377 O GLY A 88 -10.554 -9.466 -5.715 1.00 1.06 O ATOM 0 H GLY A 88 -12.004 -5.582 -6.552 1.00 0.53 H new ATOM 0 HA2 GLY A 88 -12.669 -7.686 -6.966 1.00 0.66 H new ATOM 0 HA3 GLY A 88 -11.112 -8.044 -7.685 1.00 0.66 H new ATOM 1381 N LEU A 89 -11.544 -7.951 -4.375 1.00 0.61 N ATOM 1382 CA LEU A 89 -11.335 -8.682 -3.127 1.00 0.66 C ATOM 1383 C LEU A 89 -12.091 -10.004 -3.018 1.00 0.74 C ATOM 1384 O LEU A 89 -13.110 -10.239 -3.664 1.00 0.92 O ATOM 1385 CB LEU A 89 -11.504 -7.781 -1.887 1.00 0.77 C ATOM 1386 CG LEU A 89 -12.790 -6.938 -1.754 1.00 0.75 C ATOM 1387 CD1 LEU A 89 -14.038 -7.829 -1.628 1.00 1.29 C ATOM 1388 CD2 LEU A 89 -12.635 -6.022 -0.532 1.00 1.14 C ATOM 0 H LEU A 89 -11.967 -7.032 -4.244 1.00 0.61 H new ATOM 0 HA LEU A 89 -10.289 -8.988 -3.157 1.00 0.66 H new ATOM 0 HB2 LEU A 89 -11.432 -8.416 -1.004 1.00 0.77 H new ATOM 0 HB3 LEU A 89 -10.656 -7.097 -1.857 1.00 0.77 H new ATOM 0 HG LEU A 89 -12.930 -6.338 -2.653 1.00 0.75 H new ATOM 0 HD11 LEU A 89 -14.925 -7.202 -1.536 1.00 1.29 H new ATOM 0 HD12 LEU A 89 -14.128 -8.457 -2.514 1.00 1.29 H new ATOM 0 HD13 LEU A 89 -13.947 -8.460 -0.744 1.00 1.29 H new ATOM 0 HD21 LEU A 89 -13.533 -5.415 -0.416 1.00 1.14 H new ATOM 0 HD22 LEU A 89 -12.490 -6.629 0.362 1.00 1.14 H new ATOM 0 HD23 LEU A 89 -11.772 -5.371 -0.672 1.00 1.14 H new ATOM 1400 N LYS A 90 -11.537 -10.880 -2.177 1.00 0.84 N ATOM 1401 CA LYS A 90 -12.085 -12.230 -1.918 1.00 1.03 C ATOM 1402 C LYS A 90 -12.460 -12.486 -0.442 1.00 1.27 C ATOM 1403 O LYS A 90 -13.080 -13.497 -0.119 1.00 1.46 O ATOM 1404 CB LYS A 90 -11.196 -13.326 -2.531 1.00 0.87 C ATOM 1405 CG LYS A 90 -11.130 -13.202 -4.069 1.00 1.15 C ATOM 1406 CD LYS A 90 -9.728 -12.894 -4.578 1.00 1.68 C ATOM 1407 CE LYS A 90 -9.722 -12.486 -6.061 1.00 1.24 C ATOM 1408 NZ LYS A 90 -10.238 -13.515 -6.997 1.00 1.88 N ATOM 0 H LYS A 90 -10.688 -10.679 -1.648 1.00 0.84 H new ATOM 0 HA LYS A 90 -13.042 -12.276 -2.437 1.00 1.03 H new ATOM 0 HB2 LYS A 90 -10.191 -13.256 -2.115 1.00 0.87 H new ATOM 0 HB3 LYS A 90 -11.586 -14.307 -2.260 1.00 0.87 H new ATOM 0 HG2 LYS A 90 -11.479 -14.132 -4.519 1.00 1.15 H new ATOM 0 HG3 LYS A 90 -11.811 -12.415 -4.395 1.00 1.15 H new ATOM 0 HD2 LYS A 90 -9.295 -12.091 -3.981 1.00 1.68 H new ATOM 0 HD3 LYS A 90 -9.094 -13.770 -4.442 1.00 1.68 H new ATOM 0 HE2 LYS A 90 -10.318 -11.581 -6.176 1.00 1.24 H new ATOM 0 HE3 LYS A 90 -8.701 -12.234 -6.349 1.00 1.24 H new ATOM 0 HZ1 LYS A 90 -10.086 -13.201 -7.977 1.00 1.88 H new ATOM 0 HZ2 LYS A 90 -9.735 -14.411 -6.839 1.00 1.88 H new ATOM 0 HZ3 LYS A 90 -11.255 -13.655 -6.832 1.00 1.88 H new ATOM 1422 N ARG A 91 -12.170 -11.519 0.434 1.00 1.34 N ATOM 1423 CA ARG A 91 -12.900 -11.267 1.681 1.00 1.52 C ATOM 1424 C ARG A 91 -13.536 -9.876 1.539 1.00 1.31 C ATOM 1425 O ARG A 91 -12.771 -8.920 1.449 1.00 1.44 O ATOM 1426 CB ARG A 91 -11.932 -11.249 2.882 1.00 1.91 C ATOM 1427 CG ARG A 91 -11.432 -12.629 3.324 1.00 2.13 C ATOM 1428 CD ARG A 91 -12.468 -13.406 4.143 1.00 2.74 C ATOM 1429 NE ARG A 91 -11.898 -14.682 4.615 1.00 2.86 N ATOM 1430 CZ ARG A 91 -11.093 -14.839 5.664 1.00 3.73 C ATOM 1431 NH1 ARG A 91 -10.829 -13.870 6.515 1.00 4.81 N ATOM 1432 NH2 ARG A 91 -10.514 -16.005 5.866 1.00 4.29 N ATOM 0 H ARG A 91 -11.397 -10.870 0.291 1.00 1.34 H new ATOM 0 HA ARG A 91 -13.643 -12.046 1.852 1.00 1.52 H new ATOM 0 HB2 ARG A 91 -11.071 -10.630 2.628 1.00 1.91 H new ATOM 0 HB3 ARG A 91 -12.430 -10.771 3.725 1.00 1.91 H new ATOM 0 HG2 ARG A 91 -11.162 -13.211 2.443 1.00 2.13 H new ATOM 0 HG3 ARG A 91 -10.525 -12.508 3.916 1.00 2.13 H new ATOM 0 HD2 ARG A 91 -12.791 -12.807 4.995 1.00 2.74 H new ATOM 0 HD3 ARG A 91 -13.352 -13.598 3.535 1.00 2.74 H new ATOM 0 HE ARG A 91 -12.143 -15.521 4.090 1.00 2.86 H new ATOM 0 HH11 ARG A 91 -11.248 -12.949 6.386 1.00 4.81 H new ATOM 0 HH12 ARG A 91 -10.205 -14.040 7.304 1.00 4.81 H new ATOM 0 HH21 ARG A 91 -10.684 -16.777 5.222 1.00 4.29 H new ATOM 0 HH22 ARG A 91 -9.896 -16.135 6.667 1.00 4.29 H new ATOM 1446 N PRO A 92 -14.874 -9.723 1.502 1.00 1.36 N ATOM 1447 CA PRO A 92 -15.498 -8.449 1.835 1.00 1.51 C ATOM 1448 C PRO A 92 -15.245 -8.252 3.331 1.00 1.55 C ATOM 1449 O PRO A 92 -15.549 -9.145 4.123 1.00 2.06 O ATOM 1450 CB PRO A 92 -16.974 -8.602 1.465 1.00 2.12 C ATOM 1451 CG PRO A 92 -17.231 -10.104 1.605 1.00 2.27 C ATOM 1452 CD PRO A 92 -15.882 -10.750 1.278 1.00 1.71 C ATOM 0 HA PRO A 92 -15.114 -7.574 1.310 1.00 1.51 H new ATOM 0 HB2 PRO A 92 -17.615 -8.023 2.129 1.00 2.12 H new ATOM 0 HB3 PRO A 92 -17.170 -8.255 0.450 1.00 2.12 H new ATOM 0 HG2 PRO A 92 -17.561 -10.359 2.612 1.00 2.27 H new ATOM 0 HG3 PRO A 92 -18.010 -10.440 0.920 1.00 2.27 H new ATOM 0 HD2 PRO A 92 -15.702 -11.617 1.913 1.00 1.71 H new ATOM 0 HD3 PRO A 92 -15.858 -11.100 0.246 1.00 1.71 H new ATOM 1460 N LEU A 93 -14.594 -7.148 3.706 1.00 1.42 N ATOM 1461 CA LEU A 93 -13.788 -7.059 4.902 1.00 1.39 C ATOM 1462 C LEU A 93 -14.600 -6.672 6.136 1.00 1.40 C ATOM 1463 O LEU A 93 -15.816 -6.443 6.133 1.00 2.21 O ATOM 1464 CB LEU A 93 -12.626 -6.062 4.659 1.00 1.69 C ATOM 1465 CG LEU A 93 -11.742 -6.326 3.420 1.00 1.26 C ATOM 1466 CD1 LEU A 93 -10.857 -5.108 3.112 1.00 2.07 C ATOM 1467 CD2 LEU A 93 -10.860 -7.566 3.612 1.00 2.12 C ATOM 0 H LEU A 93 -14.620 -6.281 3.169 1.00 1.42 H new ATOM 0 HA LEU A 93 -13.385 -8.050 5.111 1.00 1.39 H new ATOM 0 HB2 LEU A 93 -13.048 -5.061 4.571 1.00 1.69 H new ATOM 0 HB3 LEU A 93 -11.986 -6.062 5.541 1.00 1.69 H new ATOM 0 HG LEU A 93 -12.412 -6.505 2.579 1.00 1.26 H new ATOM 0 HD11 LEU A 93 -10.243 -5.317 2.236 1.00 2.07 H new ATOM 0 HD12 LEU A 93 -11.487 -4.241 2.915 1.00 2.07 H new ATOM 0 HD13 LEU A 93 -10.212 -4.902 3.966 1.00 2.07 H new ATOM 0 HD21 LEU A 93 -10.252 -7.721 2.721 1.00 2.12 H new ATOM 0 HD22 LEU A 93 -10.210 -7.420 4.474 1.00 2.12 H new ATOM 0 HD23 LEU A 93 -11.491 -8.439 3.777 1.00 2.12 H new ATOM 1479 N LYS A 94 -13.851 -6.638 7.218 1.00 1.18 N ATOM 1480 CA LYS A 94 -14.173 -6.129 8.557 1.00 1.23 C ATOM 1481 C LYS A 94 -13.086 -5.133 9.017 1.00 1.32 C ATOM 1482 O LYS A 94 -12.226 -4.741 8.235 1.00 2.22 O ATOM 1483 CB LYS A 94 -14.285 -7.311 9.555 1.00 1.74 C ATOM 1484 CG LYS A 94 -15.115 -8.523 9.108 1.00 1.75 C ATOM 1485 CD LYS A 94 -16.603 -8.197 8.898 1.00 2.31 C ATOM 1486 CE LYS A 94 -17.259 -9.193 7.933 1.00 3.30 C ATOM 1487 NZ LYS A 94 -16.705 -9.041 6.569 1.00 4.28 N ATOM 0 H LYS A 94 -12.899 -7.002 7.190 1.00 1.18 H new ATOM 0 HA LYS A 94 -15.130 -5.608 8.524 1.00 1.23 H new ATOM 0 HB2 LYS A 94 -13.277 -7.657 9.785 1.00 1.74 H new ATOM 0 HB3 LYS A 94 -14.712 -6.932 10.483 1.00 1.74 H new ATOM 0 HG2 LYS A 94 -14.701 -8.915 8.179 1.00 1.75 H new ATOM 0 HG3 LYS A 94 -15.025 -9.312 9.855 1.00 1.75 H new ATOM 0 HD2 LYS A 94 -17.122 -8.220 9.856 1.00 2.31 H new ATOM 0 HD3 LYS A 94 -16.704 -7.185 8.505 1.00 2.31 H new ATOM 0 HE2 LYS A 94 -17.095 -10.211 8.286 1.00 3.30 H new ATOM 0 HE3 LYS A 94 -18.337 -9.032 7.913 1.00 3.30 H new ATOM 0 HZ1 LYS A 94 -17.348 -9.485 5.882 1.00 4.28 H new ATOM 0 HZ2 LYS A 94 -16.604 -8.030 6.346 1.00 4.28 H new ATOM 0 HZ3 LYS A 94 -15.774 -9.501 6.519 1.00 4.28 H new ATOM 1501 N ALA A 95 -13.116 -4.743 10.291 1.00 1.17 N ATOM 1502 CA ALA A 95 -11.914 -4.437 11.063 1.00 1.28 C ATOM 1503 C ALA A 95 -11.588 -5.695 11.888 1.00 1.27 C ATOM 1504 O ALA A 95 -12.483 -6.507 12.130 1.00 1.35 O ATOM 1505 CB ALA A 95 -12.187 -3.220 11.955 1.00 1.69 C ATOM 0 H ALA A 95 -13.981 -4.630 10.819 1.00 1.17 H new ATOM 0 HA ALA A 95 -11.064 -4.186 10.428 1.00 1.28 H new ATOM 0 HB1 ALA A 95 -11.294 -2.986 12.534 1.00 1.69 H new ATOM 0 HB2 ALA A 95 -12.451 -2.365 11.333 1.00 1.69 H new ATOM 0 HB3 ALA A 95 -13.011 -3.443 12.633 1.00 1.69 H new ATOM 1511 N GLY A 96 -10.332 -5.890 12.285 1.00 1.25 N ATOM 1512 CA GLY A 96 -9.891 -7.053 13.071 1.00 1.25 C ATOM 1513 C GLY A 96 -9.642 -8.342 12.274 1.00 1.22 C ATOM 1514 O GLY A 96 -9.299 -9.350 12.885 1.00 1.64 O ATOM 0 H GLY A 96 -9.577 -5.239 12.069 1.00 1.25 H new ATOM 0 HA2 GLY A 96 -8.972 -6.788 13.593 1.00 1.25 H new ATOM 0 HA3 GLY A 96 -10.642 -7.259 13.833 1.00 1.25 H new ATOM 1518 N GLU A 97 -9.793 -8.336 10.942 1.00 0.92 N ATOM 1519 CA GLU A 97 -9.174 -9.350 10.068 1.00 0.93 C ATOM 1520 C GLU A 97 -7.686 -9.030 9.851 1.00 0.88 C ATOM 1521 O GLU A 97 -7.162 -8.047 10.370 1.00 0.83 O ATOM 1522 CB GLU A 97 -9.890 -9.455 8.703 1.00 0.93 C ATOM 1523 CG GLU A 97 -11.279 -10.090 8.798 1.00 1.13 C ATOM 1524 CD GLU A 97 -11.928 -10.275 7.423 1.00 1.30 C ATOM 1525 OE1 GLU A 97 -12.434 -9.271 6.884 1.00 2.34 O ATOM 1526 OE2 GLU A 97 -11.960 -11.425 6.922 1.00 1.95 O ATOM 0 H GLU A 97 -10.341 -7.637 10.441 1.00 0.92 H new ATOM 0 HA GLU A 97 -9.272 -10.312 10.570 1.00 0.93 H new ATOM 0 HB2 GLU A 97 -9.982 -8.459 8.271 1.00 0.93 H new ATOM 0 HB3 GLU A 97 -9.275 -10.043 8.022 1.00 0.93 H new ATOM 0 HG2 GLU A 97 -11.201 -11.058 9.294 1.00 1.13 H new ATOM 0 HG3 GLU A 97 -11.920 -9.465 9.419 1.00 1.13 H new ATOM 1533 N GLU A 98 -7.023 -9.822 9.018 1.00 0.98 N ATOM 1534 CA GLU A 98 -5.625 -9.774 8.660 1.00 1.03 C ATOM 1535 C GLU A 98 -5.491 -10.421 7.284 1.00 0.94 C ATOM 1536 O GLU A 98 -6.301 -11.255 6.879 1.00 1.08 O ATOM 1537 CB GLU A 98 -4.734 -10.444 9.721 1.00 1.32 C ATOM 1538 CG GLU A 98 -4.998 -11.950 9.886 1.00 1.89 C ATOM 1539 CD GLU A 98 -4.178 -12.561 11.022 1.00 2.44 C ATOM 1540 OE1 GLU A 98 -3.001 -12.157 11.165 1.00 3.37 O ATOM 1541 OE2 GLU A 98 -4.740 -13.436 11.719 1.00 2.91 O ATOM 0 H GLU A 98 -7.502 -10.582 8.535 1.00 0.98 H new ATOM 0 HA GLU A 98 -5.276 -8.742 8.619 1.00 1.03 H new ATOM 0 HB2 GLU A 98 -3.688 -10.294 9.452 1.00 1.32 H new ATOM 0 HB3 GLU A 98 -4.890 -9.949 10.680 1.00 1.32 H new ATOM 0 HG2 GLU A 98 -6.059 -12.112 10.079 1.00 1.89 H new ATOM 0 HG3 GLU A 98 -4.761 -12.463 8.954 1.00 1.89 H new ATOM 1548 N VAL A 99 -4.503 -9.945 6.547 1.00 0.89 N ATOM 1549 CA VAL A 99 -4.317 -10.169 5.111 1.00 0.88 C ATOM 1550 C VAL A 99 -2.822 -10.250 4.801 1.00 0.84 C ATOM 1551 O VAL A 99 -2.078 -9.300 5.053 1.00 0.99 O ATOM 1552 CB VAL A 99 -4.989 -9.029 4.301 1.00 1.04 C ATOM 1553 CG1 VAL A 99 -4.627 -9.087 2.805 1.00 1.20 C ATOM 1554 CG2 VAL A 99 -6.521 -9.072 4.447 1.00 1.10 C ATOM 0 H VAL A 99 -3.768 -9.362 6.947 1.00 0.89 H new ATOM 0 HA VAL A 99 -4.788 -11.109 4.823 1.00 0.88 H new ATOM 0 HB VAL A 99 -4.608 -8.095 4.714 1.00 1.04 H new ATOM 0 HG11 VAL A 99 -5.121 -8.270 2.279 1.00 1.20 H new ATOM 0 HG12 VAL A 99 -3.547 -8.994 2.688 1.00 1.20 H new ATOM 0 HG13 VAL A 99 -4.957 -10.038 2.388 1.00 1.20 H new ATOM 0 HG21 VAL A 99 -6.965 -8.262 3.869 1.00 1.10 H new ATOM 0 HG22 VAL A 99 -6.895 -10.027 4.079 1.00 1.10 H new ATOM 0 HG23 VAL A 99 -6.790 -8.958 5.497 1.00 1.10 H new ATOM 1564 N GLU A 100 -2.403 -11.377 4.216 1.00 0.81 N ATOM 1565 CA GLU A 100 -1.075 -11.517 3.616 1.00 0.86 C ATOM 1566 C GLU A 100 -1.011 -10.924 2.198 1.00 0.98 C ATOM 1567 O GLU A 100 -2.013 -10.850 1.477 1.00 0.91 O ATOM 1568 CB GLU A 100 -0.546 -12.964 3.649 1.00 1.09 C ATOM 1569 CG GLU A 100 -1.251 -13.971 2.727 1.00 1.55 C ATOM 1570 CD GLU A 100 -0.324 -15.137 2.376 1.00 1.61 C ATOM 1571 OE1 GLU A 100 0.301 -15.737 3.278 1.00 1.99 O ATOM 1572 OE2 GLU A 100 -0.140 -15.438 1.178 1.00 2.46 O ATOM 0 H GLU A 100 -2.977 -12.218 4.146 1.00 0.81 H new ATOM 0 HA GLU A 100 -0.406 -10.930 4.245 1.00 0.86 H new ATOM 0 HB2 GLU A 100 0.513 -12.947 3.390 1.00 1.09 H new ATOM 0 HB3 GLU A 100 -0.617 -13.330 4.673 1.00 1.09 H new ATOM 0 HG2 GLU A 100 -2.149 -14.350 3.216 1.00 1.55 H new ATOM 0 HG3 GLU A 100 -1.573 -13.470 1.814 1.00 1.55 H new ATOM 1579 N LEU A 101 0.203 -10.530 1.804 1.00 1.25 N ATOM 1580 CA LEU A 101 0.509 -9.889 0.526 1.00 1.18 C ATOM 1581 C LEU A 101 1.973 -10.125 0.128 1.00 1.04 C ATOM 1582 O LEU A 101 2.870 -9.914 0.942 1.00 0.99 O ATOM 1583 CB LEU A 101 0.114 -8.396 0.644 1.00 1.20 C ATOM 1584 CG LEU A 101 0.525 -7.429 -0.488 1.00 2.02 C ATOM 1585 CD1 LEU A 101 -0.532 -6.317 -0.596 1.00 2.46 C ATOM 1586 CD2 LEU A 101 1.916 -6.826 -0.250 1.00 3.13 C ATOM 0 H LEU A 101 1.029 -10.654 2.389 1.00 1.25 H new ATOM 0 HA LEU A 101 -0.068 -10.327 -0.289 1.00 1.18 H new ATOM 0 HB2 LEU A 101 -0.970 -8.348 0.743 1.00 1.20 H new ATOM 0 HB3 LEU A 101 0.536 -8.015 1.574 1.00 1.20 H new ATOM 0 HG LEU A 101 0.579 -7.988 -1.422 1.00 2.02 H new ATOM 0 HD11 LEU A 101 -0.254 -5.627 -1.392 1.00 2.46 H new ATOM 0 HD12 LEU A 101 -1.503 -6.758 -0.821 1.00 2.46 H new ATOM 0 HD13 LEU A 101 -0.590 -5.777 0.349 1.00 2.46 H new ATOM 0 HD21 LEU A 101 2.166 -6.152 -1.070 1.00 3.13 H new ATOM 0 HD22 LEU A 101 1.917 -6.272 0.689 1.00 3.13 H new ATOM 0 HD23 LEU A 101 2.655 -7.625 -0.200 1.00 3.13 H new ATOM 1598 N ASP A 102 2.187 -10.522 -1.130 1.00 1.13 N ATOM 1599 CA ASP A 102 3.477 -10.594 -1.850 1.00 1.07 C ATOM 1600 C ASP A 102 3.874 -9.175 -2.282 1.00 0.89 C ATOM 1601 O ASP A 102 3.074 -8.477 -2.913 1.00 1.00 O ATOM 1602 CB ASP A 102 3.310 -11.423 -3.150 1.00 1.20 C ATOM 1603 CG ASP A 102 3.720 -12.901 -3.194 1.00 1.93 C ATOM 1604 OD1 ASP A 102 4.587 -13.329 -2.404 1.00 2.91 O ATOM 1605 OD2 ASP A 102 3.185 -13.588 -4.105 1.00 2.85 O ATOM 0 H ASP A 102 1.412 -10.825 -1.721 1.00 1.13 H new ATOM 0 HA ASP A 102 4.222 -11.047 -1.196 1.00 1.07 H new ATOM 0 HB2 ASP A 102 2.257 -11.374 -3.429 1.00 1.20 H new ATOM 0 HB3 ASP A 102 3.871 -10.911 -3.931 1.00 1.20 H new ATOM 1610 N LEU A 103 5.112 -8.757 -2.004 1.00 0.73 N ATOM 1611 CA LEU A 103 5.670 -7.475 -2.439 1.00 0.59 C ATOM 1612 C LEU A 103 6.569 -7.704 -3.659 1.00 0.58 C ATOM 1613 O LEU A 103 7.559 -8.433 -3.571 1.00 0.73 O ATOM 1614 CB LEU A 103 6.472 -6.835 -1.292 1.00 0.61 C ATOM 1615 CG LEU A 103 5.621 -6.316 -0.114 1.00 0.72 C ATOM 1616 CD1 LEU A 103 5.299 -7.402 0.919 1.00 0.97 C ATOM 1617 CD2 LEU A 103 6.389 -5.205 0.607 1.00 0.80 C ATOM 0 H LEU A 103 5.769 -9.314 -1.457 1.00 0.73 H new ATOM 0 HA LEU A 103 4.862 -6.797 -2.713 1.00 0.59 H new ATOM 0 HB2 LEU A 103 7.183 -7.569 -0.912 1.00 0.61 H new ATOM 0 HB3 LEU A 103 7.054 -6.006 -1.694 1.00 0.61 H new ATOM 0 HG LEU A 103 4.682 -5.961 -0.539 1.00 0.72 H new ATOM 0 HD11 LEU A 103 4.699 -6.974 1.722 1.00 0.97 H new ATOM 0 HD12 LEU A 103 4.742 -8.207 0.439 1.00 0.97 H new ATOM 0 HD13 LEU A 103 6.227 -7.798 1.332 1.00 0.97 H new ATOM 0 HD21 LEU A 103 5.794 -4.833 1.441 1.00 0.80 H new ATOM 0 HD22 LEU A 103 7.333 -5.600 0.983 1.00 0.80 H new ATOM 0 HD23 LEU A 103 6.588 -4.390 -0.089 1.00 0.80 H new ATOM 1629 N LEU A 104 6.242 -7.084 -4.799 1.00 0.53 N ATOM 1630 CA LEU A 104 7.000 -7.246 -6.041 1.00 0.53 C ATOM 1631 C LEU A 104 8.147 -6.229 -6.084 1.00 0.48 C ATOM 1632 O LEU A 104 7.941 -5.018 -6.256 1.00 0.48 O ATOM 1633 CB LEU A 104 6.062 -7.149 -7.262 1.00 0.56 C ATOM 1634 CG LEU A 104 4.934 -8.204 -7.318 1.00 0.67 C ATOM 1635 CD1 LEU A 104 4.070 -8.005 -8.572 1.00 0.69 C ATOM 1636 CD2 LEU A 104 5.473 -9.642 -7.332 1.00 0.88 C ATOM 0 H LEU A 104 5.443 -6.456 -4.884 1.00 0.53 H new ATOM 0 HA LEU A 104 7.448 -8.239 -6.075 1.00 0.53 H new ATOM 0 HB2 LEU A 104 5.610 -6.157 -7.273 1.00 0.56 H new ATOM 0 HB3 LEU A 104 6.662 -7.236 -8.168 1.00 0.56 H new ATOM 0 HG LEU A 104 4.341 -8.062 -6.415 1.00 0.67 H new ATOM 0 HD11 LEU A 104 3.281 -8.757 -8.594 1.00 0.69 H new ATOM 0 HD12 LEU A 104 3.623 -7.011 -8.552 1.00 0.69 H new ATOM 0 HD13 LEU A 104 4.692 -8.105 -9.462 1.00 0.69 H new ATOM 0 HD21 LEU A 104 4.639 -10.343 -7.372 1.00 0.88 H new ATOM 0 HD22 LEU A 104 6.108 -9.784 -8.206 1.00 0.88 H new ATOM 0 HD23 LEU A 104 6.055 -9.821 -6.428 1.00 0.88 H new ATOM 1648 N PHE A 105 9.369 -6.738 -5.928 1.00 0.51 N ATOM 1649 CA PHE A 105 10.598 -5.966 -5.837 1.00 0.56 C ATOM 1650 C PHE A 105 11.398 -6.048 -7.143 1.00 0.61 C ATOM 1651 O PHE A 105 11.873 -7.116 -7.532 1.00 0.95 O ATOM 1652 CB PHE A 105 11.431 -6.485 -4.665 1.00 0.69 C ATOM 1653 CG PHE A 105 10.876 -6.093 -3.312 1.00 0.67 C ATOM 1654 CD1 PHE A 105 10.809 -4.733 -2.949 1.00 1.57 C ATOM 1655 CD2 PHE A 105 10.450 -7.082 -2.407 1.00 2.16 C ATOM 1656 CE1 PHE A 105 10.361 -4.368 -1.671 1.00 1.59 C ATOM 1657 CE2 PHE A 105 9.992 -6.714 -1.132 1.00 2.15 C ATOM 1658 CZ PHE A 105 9.964 -5.359 -0.757 1.00 0.71 C ATOM 0 H PHE A 105 9.531 -7.743 -5.859 1.00 0.51 H new ATOM 0 HA PHE A 105 10.347 -4.919 -5.670 1.00 0.56 H new ATOM 0 HB2 PHE A 105 11.490 -7.572 -4.724 1.00 0.69 H new ATOM 0 HB3 PHE A 105 12.449 -6.105 -4.756 1.00 0.69 H new ATOM 0 HD1 PHE A 105 11.103 -3.971 -3.656 1.00 1.57 H new ATOM 0 HD2 PHE A 105 10.475 -8.123 -2.693 1.00 2.16 H new ATOM 0 HE1 PHE A 105 10.321 -3.326 -1.390 1.00 1.59 H new ATOM 0 HE2 PHE A 105 9.661 -7.473 -0.438 1.00 2.15 H new ATOM 0 HZ PHE A 105 9.637 -5.080 0.234 1.00 0.71 H new ATOM 1668 N ALA A 106 11.569 -4.898 -7.805 1.00 0.54 N ATOM 1669 CA ALA A 106 12.367 -4.714 -9.022 1.00 0.64 C ATOM 1670 C ALA A 106 11.969 -5.673 -10.168 1.00 1.78 C ATOM 1671 O ALA A 106 12.805 -6.035 -10.994 1.00 2.79 O ATOM 1672 CB ALA A 106 13.858 -4.791 -8.646 1.00 1.55 C ATOM 0 H ALA A 106 11.134 -4.030 -7.492 1.00 0.54 H new ATOM 0 HA ALA A 106 12.160 -3.727 -9.435 1.00 0.64 H new ATOM 0 HB1 ALA A 106 14.466 -4.656 -9.540 1.00 1.55 H new ATOM 0 HB2 ALA A 106 14.093 -4.007 -7.926 1.00 1.55 H new ATOM 0 HB3 ALA A 106 14.072 -5.765 -8.205 1.00 1.55 H new ATOM 1678 N GLY A 107 10.719 -6.159 -10.162 1.00 2.74 N ATOM 1679 CA GLY A 107 10.200 -7.214 -11.041 1.00 4.08 C ATOM 1680 C GLY A 107 10.712 -8.607 -10.665 1.00 3.45 C ATOM 1681 O GLY A 107 9.922 -9.496 -10.372 1.00 4.80 O ATOM 0 H GLY A 107 10.012 -5.811 -9.515 1.00 2.74 H new ATOM 0 HA2 GLY A 107 9.111 -7.210 -11.002 1.00 4.08 H new ATOM 0 HA3 GLY A 107 10.483 -6.994 -12.071 1.00 4.08 H new ATOM 1685 N GLY A 108 12.035 -8.799 -10.682 1.00 1.87 N ATOM 1686 CA GLY A 108 12.688 -10.115 -10.606 1.00 1.88 C ATOM 1687 C GLY A 108 12.905 -10.688 -9.201 1.00 1.80 C ATOM 1688 O GLY A 108 13.666 -11.649 -9.066 1.00 2.38 O ATOM 0 H GLY A 108 12.699 -8.028 -10.750 1.00 1.87 H new ATOM 0 HA2 GLY A 108 12.091 -10.826 -11.177 1.00 1.88 H new ATOM 0 HA3 GLY A 108 13.657 -10.044 -11.100 1.00 1.88 H new ATOM 1692 N LYS A 109 12.345 -10.086 -8.147 1.00 1.34 N ATOM 1693 CA LYS A 109 12.302 -10.601 -6.775 1.00 1.34 C ATOM 1694 C LYS A 109 10.921 -10.404 -6.130 1.00 1.17 C ATOM 1695 O LYS A 109 10.215 -9.452 -6.446 1.00 1.20 O ATOM 1696 CB LYS A 109 13.363 -9.892 -5.913 1.00 1.29 C ATOM 1697 CG LYS A 109 14.800 -10.215 -6.323 1.00 1.85 C ATOM 1698 CD LYS A 109 15.421 -9.228 -7.329 1.00 2.90 C ATOM 1699 CE LYS A 109 16.693 -9.816 -7.960 1.00 3.70 C ATOM 1700 NZ LYS A 109 16.385 -10.854 -8.978 1.00 5.10 N ATOM 0 H LYS A 109 11.886 -9.179 -8.232 1.00 1.34 H new ATOM 0 HA LYS A 109 12.507 -11.670 -6.825 1.00 1.34 H new ATOM 0 HB2 LYS A 109 13.209 -8.815 -5.976 1.00 1.29 H new ATOM 0 HB3 LYS A 109 13.219 -10.174 -4.870 1.00 1.29 H new ATOM 0 HG2 LYS A 109 15.422 -10.239 -5.428 1.00 1.85 H new ATOM 0 HG3 LYS A 109 14.824 -11.216 -6.755 1.00 1.85 H new ATOM 0 HD2 LYS A 109 14.697 -8.995 -8.110 1.00 2.90 H new ATOM 0 HD3 LYS A 109 15.660 -8.291 -6.825 1.00 2.90 H new ATOM 0 HE2 LYS A 109 17.271 -9.016 -8.423 1.00 3.70 H new ATOM 0 HE3 LYS A 109 17.317 -10.249 -7.179 1.00 3.70 H new ATOM 0 HZ1 LYS A 109 16.998 -11.681 -8.827 1.00 5.10 H new ATOM 0 HZ2 LYS A 109 15.389 -11.141 -8.891 1.00 5.10 H new ATOM 0 HZ3 LYS A 109 16.552 -10.468 -9.929 1.00 5.10 H new ATOM 1714 N VAL A 110 10.575 -11.274 -5.180 1.00 1.09 N ATOM 1715 CA VAL A 110 9.314 -11.250 -4.436 1.00 1.00 C ATOM 1716 C VAL A 110 9.501 -11.785 -3.015 1.00 1.11 C ATOM 1717 O VAL A 110 10.340 -12.659 -2.796 1.00 1.33 O ATOM 1718 CB VAL A 110 8.233 -12.032 -5.210 1.00 1.14 C ATOM 1719 CG1 VAL A 110 8.536 -13.538 -5.339 1.00 2.21 C ATOM 1720 CG2 VAL A 110 6.830 -11.838 -4.615 1.00 1.56 C ATOM 0 H VAL A 110 11.185 -12.041 -4.898 1.00 1.09 H new ATOM 0 HA VAL A 110 8.980 -10.217 -4.340 1.00 1.00 H new ATOM 0 HB VAL A 110 8.253 -11.604 -6.212 1.00 1.14 H new ATOM 0 HG11 VAL A 110 7.734 -14.024 -5.894 1.00 2.21 H new ATOM 0 HG12 VAL A 110 9.479 -13.675 -5.868 1.00 2.21 H new ATOM 0 HG13 VAL A 110 8.610 -13.981 -4.346 1.00 2.21 H new ATOM 0 HG21 VAL A 110 6.106 -12.409 -5.196 1.00 1.56 H new ATOM 0 HG22 VAL A 110 6.822 -12.186 -3.582 1.00 1.56 H new ATOM 0 HG23 VAL A 110 6.565 -10.781 -4.644 1.00 1.56 H new ATOM 1730 N LEU A 111 8.733 -11.240 -2.068 1.00 1.04 N ATOM 1731 CA LEU A 111 8.701 -11.620 -0.652 1.00 1.21 C ATOM 1732 C LEU A 111 7.347 -11.209 -0.076 1.00 1.01 C ATOM 1733 O LEU A 111 6.939 -10.070 -0.284 1.00 1.11 O ATOM 1734 CB LEU A 111 9.846 -10.884 0.073 1.00 1.53 C ATOM 1735 CG LEU A 111 9.878 -11.063 1.607 1.00 1.61 C ATOM 1736 CD1 LEU A 111 10.061 -12.533 2.016 1.00 2.90 C ATOM 1737 CD2 LEU A 111 11.022 -10.217 2.185 1.00 2.22 C ATOM 0 H LEU A 111 8.083 -10.483 -2.278 1.00 1.04 H new ATOM 0 HA LEU A 111 8.831 -12.695 -0.525 1.00 1.21 H new ATOM 0 HB2 LEU A 111 10.795 -11.230 -0.337 1.00 1.53 H new ATOM 0 HB3 LEU A 111 9.771 -9.820 -0.151 1.00 1.53 H new ATOM 0 HG LEU A 111 8.919 -10.733 2.006 1.00 1.61 H new ATOM 0 HD11 LEU A 111 10.077 -12.609 3.103 1.00 2.90 H new ATOM 0 HD12 LEU A 111 9.235 -13.125 1.623 1.00 2.90 H new ATOM 0 HD13 LEU A 111 11.001 -12.909 1.612 1.00 2.90 H new ATOM 0 HD21 LEU A 111 11.052 -10.337 3.268 1.00 2.22 H new ATOM 0 HD22 LEU A 111 11.969 -10.545 1.757 1.00 2.22 H new ATOM 0 HD23 LEU A 111 10.858 -9.167 1.941 1.00 2.22 H new ATOM 1749 N LYS A 112 6.655 -12.081 0.668 1.00 1.15 N ATOM 1750 CA LYS A 112 5.381 -11.700 1.294 1.00 1.05 C ATOM 1751 C LYS A 112 5.488 -11.256 2.757 1.00 1.09 C ATOM 1752 O LYS A 112 6.294 -11.774 3.529 1.00 1.29 O ATOM 1753 CB LYS A 112 4.286 -12.751 1.070 1.00 1.33 C ATOM 1754 CG LYS A 112 4.500 -14.128 1.697 1.00 1.56 C ATOM 1755 CD LYS A 112 3.269 -14.969 1.333 1.00 1.59 C ATOM 1756 CE LYS A 112 3.329 -16.385 1.902 1.00 1.73 C ATOM 1757 NZ LYS A 112 2.040 -17.071 1.665 1.00 2.15 N ATOM 0 H LYS A 112 6.949 -13.041 0.850 1.00 1.15 H new ATOM 0 HA LYS A 112 5.074 -10.797 0.766 1.00 1.05 H new ATOM 0 HB2 LYS A 112 3.348 -12.348 1.452 1.00 1.33 H new ATOM 0 HB3 LYS A 112 4.161 -12.885 -0.005 1.00 1.33 H new ATOM 0 HG2 LYS A 112 5.411 -14.590 1.317 1.00 1.56 H new ATOM 0 HG3 LYS A 112 4.610 -14.049 2.779 1.00 1.56 H new ATOM 0 HD2 LYS A 112 2.373 -14.471 1.703 1.00 1.59 H new ATOM 0 HD3 LYS A 112 3.179 -15.022 0.248 1.00 1.59 H new ATOM 0 HE2 LYS A 112 4.140 -16.942 1.433 1.00 1.73 H new ATOM 0 HE3 LYS A 112 3.542 -16.350 2.970 1.00 1.73 H new ATOM 0 HZ1 LYS A 112 2.214 -18.076 1.463 1.00 2.15 H new ATOM 0 HZ2 LYS A 112 1.441 -16.986 2.511 1.00 2.15 H new ATOM 0 HZ3 LYS A 112 1.558 -16.633 0.854 1.00 2.15 H new ATOM 1771 N VAL A 113 4.622 -10.312 3.125 1.00 1.04 N ATOM 1772 CA VAL A 113 4.427 -9.766 4.483 1.00 1.12 C ATOM 1773 C VAL A 113 2.924 -9.798 4.804 1.00 1.08 C ATOM 1774 O VAL A 113 2.104 -10.062 3.928 1.00 1.08 O ATOM 1775 CB VAL A 113 5.020 -8.337 4.613 1.00 1.35 C ATOM 1776 CG1 VAL A 113 4.916 -7.716 6.020 1.00 1.49 C ATOM 1777 CG2 VAL A 113 6.516 -8.316 4.240 1.00 2.72 C ATOM 0 H VAL A 113 3.996 -9.877 2.447 1.00 1.04 H new ATOM 0 HA VAL A 113 4.963 -10.378 5.208 1.00 1.12 H new ATOM 0 HB VAL A 113 4.411 -7.748 3.927 1.00 1.35 H new ATOM 0 HG11 VAL A 113 5.356 -6.719 6.011 1.00 1.49 H new ATOM 0 HG12 VAL A 113 3.868 -7.647 6.311 1.00 1.49 H new ATOM 0 HG13 VAL A 113 5.450 -8.342 6.735 1.00 1.49 H new ATOM 0 HG21 VAL A 113 6.902 -7.302 4.341 1.00 2.72 H new ATOM 0 HG22 VAL A 113 7.066 -8.982 4.905 1.00 2.72 H new ATOM 0 HG23 VAL A 113 6.639 -8.650 3.210 1.00 2.72 H new ATOM 1787 N VAL A 114 2.567 -9.576 6.065 1.00 1.15 N ATOM 1788 CA VAL A 114 1.211 -9.727 6.609 1.00 1.12 C ATOM 1789 C VAL A 114 0.864 -8.466 7.398 1.00 1.12 C ATOM 1790 O VAL A 114 1.751 -7.830 7.969 1.00 1.41 O ATOM 1791 CB VAL A 114 1.074 -10.985 7.508 1.00 1.25 C ATOM 1792 CG1 VAL A 114 -0.399 -11.286 7.836 1.00 1.68 C ATOM 1793 CG2 VAL A 114 1.682 -12.236 6.840 1.00 1.89 C ATOM 0 H VAL A 114 3.239 -9.273 6.770 1.00 1.15 H new ATOM 0 HA VAL A 114 0.516 -9.862 5.780 1.00 1.12 H new ATOM 0 HB VAL A 114 1.619 -10.760 8.425 1.00 1.25 H new ATOM 0 HG11 VAL A 114 -0.457 -12.173 8.467 1.00 1.68 H new ATOM 0 HG12 VAL A 114 -0.835 -10.437 8.362 1.00 1.68 H new ATOM 0 HG13 VAL A 114 -0.949 -11.461 6.912 1.00 1.68 H new ATOM 0 HG21 VAL A 114 1.566 -13.095 7.501 1.00 1.89 H new ATOM 0 HG22 VAL A 114 1.169 -12.431 5.898 1.00 1.89 H new ATOM 0 HG23 VAL A 114 2.742 -12.067 6.648 1.00 1.89 H new ATOM 1803 N LEU A 115 -0.416 -8.093 7.390 1.00 0.91 N ATOM 1804 CA LEU A 115 -0.940 -6.896 8.037 1.00 0.91 C ATOM 1805 C LEU A 115 -2.423 -7.082 8.426 1.00 0.87 C ATOM 1806 O LEU A 115 -3.148 -7.747 7.674 1.00 0.97 O ATOM 1807 CB LEU A 115 -0.728 -5.644 7.164 1.00 1.18 C ATOM 1808 CG LEU A 115 -1.145 -5.742 5.678 1.00 1.11 C ATOM 1809 CD1 LEU A 115 -1.466 -4.332 5.173 1.00 2.09 C ATOM 1810 CD2 LEU A 115 -0.028 -6.338 4.809 1.00 1.93 C ATOM 0 H LEU A 115 -1.138 -8.636 6.916 1.00 0.91 H new ATOM 0 HA LEU A 115 -0.378 -6.740 8.958 1.00 0.91 H new ATOM 0 HB2 LEU A 115 -1.279 -4.819 7.616 1.00 1.18 H new ATOM 0 HB3 LEU A 115 0.329 -5.380 7.202 1.00 1.18 H new ATOM 0 HG LEU A 115 -2.012 -6.398 5.606 1.00 1.11 H new ATOM 0 HD11 LEU A 115 -1.763 -4.380 4.125 1.00 2.09 H new ATOM 0 HD12 LEU A 115 -2.281 -3.911 5.762 1.00 2.09 H new ATOM 0 HD13 LEU A 115 -0.583 -3.700 5.272 1.00 2.09 H new ATOM 0 HD21 LEU A 115 -0.362 -6.389 3.773 1.00 1.93 H new ATOM 0 HD22 LEU A 115 0.859 -5.708 4.874 1.00 1.93 H new ATOM 0 HD23 LEU A 115 0.213 -7.340 5.163 1.00 1.93 H new ATOM 1822 N PRO A 116 -2.892 -6.492 9.546 1.00 0.78 N ATOM 1823 CA PRO A 116 -4.305 -6.457 9.934 1.00 0.77 C ATOM 1824 C PRO A 116 -5.157 -5.615 8.969 1.00 0.79 C ATOM 1825 O PRO A 116 -4.638 -4.803 8.211 1.00 0.89 O ATOM 1826 CB PRO A 116 -4.334 -5.884 11.357 1.00 0.78 C ATOM 1827 CG PRO A 116 -3.066 -5.035 11.421 1.00 0.72 C ATOM 1828 CD PRO A 116 -2.090 -5.853 10.582 1.00 0.72 C ATOM 0 HA PRO A 116 -4.741 -7.455 9.895 1.00 0.77 H new ATOM 0 HB2 PRO A 116 -5.228 -5.285 11.531 1.00 0.78 H new ATOM 0 HB3 PRO A 116 -4.328 -6.673 12.109 1.00 0.78 H new ATOM 0 HG2 PRO A 116 -3.222 -4.038 11.008 1.00 0.72 H new ATOM 0 HG3 PRO A 116 -2.714 -4.905 12.444 1.00 0.72 H new ATOM 0 HD2 PRO A 116 -1.322 -5.216 10.144 1.00 0.72 H new ATOM 0 HD3 PRO A 116 -1.577 -6.596 11.193 1.00 0.72 H new ATOM 1836 N VAL A 117 -6.480 -5.770 9.030 1.00 0.78 N ATOM 1837 CA VAL A 117 -7.469 -4.864 8.421 1.00 0.81 C ATOM 1838 C VAL A 117 -8.121 -4.032 9.527 1.00 0.82 C ATOM 1839 O VAL A 117 -8.494 -4.594 10.554 1.00 0.92 O ATOM 1840 CB VAL A 117 -8.592 -5.618 7.674 1.00 0.84 C ATOM 1841 CG1 VAL A 117 -9.386 -4.636 6.794 1.00 1.07 C ATOM 1842 CG2 VAL A 117 -8.080 -6.774 6.799 1.00 0.72 C ATOM 0 H VAL A 117 -6.912 -6.554 9.519 1.00 0.78 H new ATOM 0 HA VAL A 117 -6.936 -4.245 7.699 1.00 0.81 H new ATOM 0 HB VAL A 117 -9.228 -6.056 8.443 1.00 0.84 H new ATOM 0 HG11 VAL A 117 -10.176 -5.174 6.270 1.00 1.07 H new ATOM 0 HG12 VAL A 117 -9.828 -3.862 7.421 1.00 1.07 H new ATOM 0 HG13 VAL A 117 -8.717 -4.176 6.067 1.00 1.07 H new ATOM 0 HG21 VAL A 117 -8.923 -7.257 6.305 1.00 0.72 H new ATOM 0 HG22 VAL A 117 -7.394 -6.385 6.047 1.00 0.72 H new ATOM 0 HG23 VAL A 117 -7.560 -7.500 7.424 1.00 0.72 H new ATOM 1852 N GLU A 118 -8.294 -2.721 9.327 1.00 0.82 N ATOM 1853 CA GLU A 118 -8.800 -1.798 10.318 1.00 0.82 C ATOM 1854 C GLU A 118 -9.623 -0.658 9.665 1.00 0.96 C ATOM 1855 O GLU A 118 -9.582 -0.453 8.448 1.00 1.18 O ATOM 1856 CB GLU A 118 -7.563 -1.338 11.101 1.00 1.05 C ATOM 1857 CG GLU A 118 -7.895 -0.484 12.306 1.00 1.94 C ATOM 1858 CD GLU A 118 -8.950 -1.155 13.188 1.00 2.60 C ATOM 1859 OE1 GLU A 118 -8.654 -2.236 13.738 1.00 3.50 O ATOM 1860 OE2 GLU A 118 -10.089 -0.639 13.180 1.00 3.41 O ATOM 0 H GLU A 118 -8.075 -2.270 8.438 1.00 0.82 H new ATOM 0 HA GLU A 118 -9.517 -2.253 11.002 1.00 0.82 H new ATOM 0 HB2 GLU A 118 -7.004 -2.214 11.429 1.00 1.05 H new ATOM 0 HB3 GLU A 118 -6.910 -0.774 10.435 1.00 1.05 H new ATOM 0 HG2 GLU A 118 -6.991 -0.305 12.888 1.00 1.94 H new ATOM 0 HG3 GLU A 118 -8.259 0.489 11.976 1.00 1.94 H new ATOM 1867 N ALA A 119 -10.408 0.061 10.473 1.00 1.11 N ATOM 1868 CA ALA A 119 -11.548 0.892 10.089 1.00 1.26 C ATOM 1869 C ALA A 119 -11.198 2.252 9.436 1.00 1.60 C ATOM 1870 O ALA A 119 -10.050 2.534 9.096 1.00 2.69 O ATOM 1871 CB ALA A 119 -12.424 1.042 11.344 1.00 1.80 C ATOM 0 H ALA A 119 -10.251 0.077 11.481 1.00 1.11 H new ATOM 0 HA ALA A 119 -12.084 0.392 9.282 1.00 1.26 H new ATOM 0 HB1 ALA A 119 -13.293 1.657 11.110 1.00 1.80 H new ATOM 0 HB2 ALA A 119 -12.755 0.058 11.677 1.00 1.80 H new ATOM 0 HB3 ALA A 119 -11.846 1.517 12.136 1.00 1.80 H new ATOM 1877 N ARG A 120 -12.237 3.051 9.153 1.00 2.12 N ATOM 1878 CA ARG A 120 -12.211 4.353 8.449 1.00 2.62 C ATOM 1879 C ARG A 120 -11.558 5.471 9.269 1.00 3.16 C ATOM 1880 O ARG A 120 -10.554 6.029 8.781 1.00 3.74 O ATOM 1881 CB ARG A 120 -13.651 4.679 7.968 1.00 4.52 C ATOM 1882 CG ARG A 120 -14.080 6.159 7.861 1.00 5.87 C ATOM 1883 CD ARG A 120 -13.168 7.057 7.006 1.00 6.25 C ATOM 1884 NE ARG A 120 -13.342 8.490 7.320 1.00 7.13 N ATOM 1885 CZ ARG A 120 -12.869 9.135 8.376 1.00 7.20 C ATOM 1886 NH1 ARG A 120 -12.214 8.579 9.352 1.00 6.62 N ATOM 1887 NH2 ARG A 120 -13.061 10.419 8.480 1.00 8.40 N ATOM 1888 OXT ARG A 120 -12.182 5.964 10.223 1.00 4.28 O ATOM 0 H ARG A 120 -13.185 2.792 9.426 1.00 2.12 H new ATOM 0 HA ARG A 120 -11.564 4.278 7.575 1.00 2.62 H new ATOM 0 HB2 ARG A 120 -13.782 4.225 6.986 1.00 4.52 H new ATOM 0 HB3 ARG A 120 -14.346 4.181 8.644 1.00 4.52 H new ATOM 0 HG2 ARG A 120 -15.088 6.197 7.448 1.00 5.87 H new ATOM 0 HG3 ARG A 120 -14.132 6.577 8.866 1.00 5.87 H new ATOM 0 HD2 ARG A 120 -12.128 6.775 7.169 1.00 6.25 H new ATOM 0 HD3 ARG A 120 -13.382 6.890 5.951 1.00 6.25 H new ATOM 0 HE ARG A 120 -13.883 9.041 6.654 1.00 7.13 H new ATOM 0 HH11 ARG A 120 -12.032 7.575 9.338 1.00 6.62 H new ATOM 0 HH12 ARG A 120 -11.882 9.146 10.132 1.00 6.62 H new ATOM 0 HH21 ARG A 120 -13.572 10.919 7.752 1.00 8.40 H new ATOM 0 HH22 ARG A 120 -12.701 10.925 9.289 1.00 8.40 H new TER 1902 ARG A 120 HETATM 1903 CU CU1 A 121 -5.899 4.827 -4.503 1.00 0.56 CU