USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=18 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+ 156:sc= 0.946 (180deg=0.536) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00624 USER MOD Single : A 4 THR OG1 : rot 86:sc= 0.355 USER MOD Single : A 11 SER OG : rot -175:sc= 1.41 USER MOD Single : A 15 ASN : amide:sc= -2.07! K(o=-2.1!,f=-0.63) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -99:sc= 1.87 USER MOD Single : A 24 ASN : amide:sc= 0.238 K(o=0.24,f=-3.4) USER MOD Single : A 37 THR OG1 : rot 86:sc= 0.258 USER MOD Single : A 48 THR OG1 : rot 3:sc= 1.09 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -151:sc= 1.26 (180deg=0.496) USER MOD Single : A 57 LYS NZ :NH3+ -175:sc= 0.618 (180deg=0.455) USER MOD Single : A 59 MET CE :methyl -149:sc= -0.105 (180deg=-0.146) USER MOD Single : A 61 MET CE :methyl -168:sc= -0.0309 (180deg=-0.273) USER MOD Single : A 72 LYS NZ :NH3+ -164:sc= 0.417 (180deg=-0.589!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -176:sc= 1.75 (180deg=1.69) USER MOD Single : A 94 LYS NZ :NH3+ -162:sc= 0.615 (180deg=-0.437!) USER MOD Single : A 109 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.033) USER MOD Single : A 112 LYS NZ :NH3+ 153:sc= -0.375! (180deg=-1.52!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.146 -3.822 6.666 1.00 11.01 N ATOM 2 CA GLY A 1 15.849 -4.360 5.483 1.00 11.66 C ATOM 3 C GLY A 1 16.884 -3.340 5.074 1.00 10.75 C ATOM 4 O GLY A 1 17.798 -3.091 5.844 1.00 10.77 O ATOM 0 H1 GLY A 1 14.203 -4.255 6.736 1.00 11.01 H new ATOM 0 H2 GLY A 1 15.692 -4.040 7.524 1.00 11.01 H new ATOM 0 H3 GLY A 1 15.047 -2.791 6.572 1.00 11.01 H new ATOM 0 HA2 GLY A 1 16.321 -5.314 5.717 1.00 11.66 H new ATOM 0 HA3 GLY A 1 15.147 -4.543 4.669 1.00 11.66 H new ATOM 10 N SER A 2 16.630 -2.619 3.985 1.00 10.18 N ATOM 11 CA SER A 2 16.839 -1.158 3.952 1.00 8.95 C ATOM 12 C SER A 2 16.012 -0.451 5.055 1.00 7.15 C ATOM 13 O SER A 2 15.273 -1.118 5.789 1.00 7.11 O ATOM 14 CB SER A 2 16.371 -0.610 2.588 1.00 9.36 C ATOM 15 OG SER A 2 16.763 -1.430 1.505 1.00 10.97 O ATOM 0 H SER A 2 16.280 -3.013 3.112 1.00 10.18 H new ATOM 0 HA SER A 2 17.899 -0.965 4.114 1.00 8.95 H new ATOM 0 HB2 SER A 2 15.285 -0.516 2.592 1.00 9.36 H new ATOM 0 HB3 SER A 2 16.777 0.391 2.445 1.00 9.36 H new ATOM 0 HG SER A 2 16.441 -1.040 0.666 1.00 10.97 H new ATOM 21 N PHE A 3 16.048 0.886 5.110 1.00 6.19 N ATOM 22 CA PHE A 3 14.923 1.667 5.642 1.00 4.79 C ATOM 23 C PHE A 3 13.763 1.689 4.630 1.00 4.12 C ATOM 24 O PHE A 3 13.988 1.463 3.433 1.00 5.20 O ATOM 25 CB PHE A 3 15.383 3.078 6.033 1.00 5.15 C ATOM 26 CG PHE A 3 16.203 3.088 7.306 1.00 6.07 C ATOM 27 CD1 PHE A 3 15.548 3.128 8.554 1.00 6.36 C ATOM 28 CD2 PHE A 3 17.609 3.023 7.258 1.00 7.26 C ATOM 29 CE1 PHE A 3 16.295 3.104 9.743 1.00 7.66 C ATOM 30 CE2 PHE A 3 18.355 2.999 8.450 1.00 8.36 C ATOM 31 CZ PHE A 3 17.699 3.041 9.694 1.00 8.50 C ATOM 0 H PHE A 3 16.839 1.448 4.795 1.00 6.19 H new ATOM 0 HA PHE A 3 14.553 1.190 6.549 1.00 4.79 H new ATOM 0 HB2 PHE A 3 15.973 3.502 5.221 1.00 5.15 H new ATOM 0 HB3 PHE A 3 14.511 3.719 6.161 1.00 5.15 H new ATOM 0 HD1 PHE A 3 14.470 3.177 8.596 1.00 6.36 H new ATOM 0 HD2 PHE A 3 18.115 2.992 6.304 1.00 7.26 H new ATOM 0 HE1 PHE A 3 15.790 3.134 10.697 1.00 7.66 H new ATOM 0 HE2 PHE A 3 19.433 2.948 8.410 1.00 8.36 H new ATOM 0 HZ PHE A 3 18.272 3.025 10.609 1.00 8.50 H new ATOM 41 N THR A 4 12.552 1.900 5.149 1.00 2.96 N ATOM 42 CA THR A 4 11.192 1.708 4.608 1.00 2.59 C ATOM 43 C THR A 4 10.402 1.115 5.771 1.00 1.69 C ATOM 44 O THR A 4 10.735 0.033 6.244 1.00 2.31 O ATOM 45 CB THR A 4 11.099 0.887 3.304 1.00 3.76 C ATOM 46 OG1 THR A 4 9.764 0.893 2.843 1.00 4.89 O ATOM 47 CG2 THR A 4 11.529 -0.582 3.442 1.00 4.77 C ATOM 0 H THR A 4 12.488 2.264 6.100 1.00 2.96 H new ATOM 0 HA THR A 4 10.780 2.658 4.267 1.00 2.59 H new ATOM 0 HB THR A 4 11.790 1.366 2.610 1.00 3.76 H new ATOM 0 HG1 THR A 4 9.612 1.689 2.292 1.00 4.89 H new ATOM 0 HG21 THR A 4 11.431 -1.082 2.478 1.00 4.77 H new ATOM 0 HG22 THR A 4 12.567 -0.628 3.771 1.00 4.77 H new ATOM 0 HG23 THR A 4 10.894 -1.080 4.175 1.00 4.77 H new ATOM 55 N GLU A 5 9.418 1.845 6.292 1.00 1.15 N ATOM 56 CA GLU A 5 8.857 1.611 7.623 1.00 1.23 C ATOM 57 C GLU A 5 7.340 1.354 7.528 1.00 1.14 C ATOM 58 O GLU A 5 6.500 2.121 8.001 1.00 1.54 O ATOM 59 CB GLU A 5 9.311 2.710 8.618 1.00 2.25 C ATOM 60 CG GLU A 5 9.700 4.109 8.090 1.00 3.22 C ATOM 61 CD GLU A 5 11.063 4.216 7.382 1.00 3.65 C ATOM 62 OE1 GLU A 5 11.901 3.285 7.473 1.00 3.88 O ATOM 63 OE2 GLU A 5 11.285 5.261 6.724 1.00 4.85 O ATOM 0 H GLU A 5 8.983 2.624 5.798 1.00 1.15 H new ATOM 0 HA GLU A 5 9.259 0.694 8.053 1.00 1.23 H new ATOM 0 HB2 GLU A 5 8.507 2.847 9.341 1.00 2.25 H new ATOM 0 HB3 GLU A 5 10.168 2.319 9.166 1.00 2.25 H new ATOM 0 HG2 GLU A 5 8.927 4.440 7.396 1.00 3.22 H new ATOM 0 HG3 GLU A 5 9.695 4.805 8.929 1.00 3.22 H new ATOM 70 N GLY A 6 7.006 0.234 6.873 1.00 0.98 N ATOM 71 CA GLY A 6 5.635 -0.227 6.648 1.00 0.93 C ATOM 72 C GLY A 6 5.219 -1.387 7.544 1.00 0.95 C ATOM 73 O GLY A 6 6.043 -1.977 8.236 1.00 1.30 O ATOM 0 H GLY A 6 7.705 -0.393 6.474 1.00 0.98 H new ATOM 0 HA2 GLY A 6 4.951 0.606 6.808 1.00 0.93 H new ATOM 0 HA3 GLY A 6 5.530 -0.530 5.606 1.00 0.93 H new ATOM 77 N TRP A 7 3.931 -1.730 7.481 1.00 0.87 N ATOM 78 CA TRP A 7 3.312 -2.884 8.111 1.00 0.93 C ATOM 79 C TRP A 7 2.020 -3.285 7.377 1.00 0.99 C ATOM 80 O TRP A 7 1.408 -2.505 6.645 1.00 0.99 O ATOM 81 CB TRP A 7 3.042 -2.590 9.589 1.00 1.10 C ATOM 82 CG TRP A 7 1.967 -1.588 9.869 1.00 1.13 C ATOM 83 CD1 TRP A 7 0.701 -1.885 10.235 1.00 1.28 C ATOM 84 CD2 TRP A 7 2.039 -0.128 9.824 1.00 1.39 C ATOM 85 NE1 TRP A 7 -0.017 -0.720 10.417 1.00 1.46 N ATOM 86 CE2 TRP A 7 0.760 0.395 10.177 1.00 1.58 C ATOM 87 CE3 TRP A 7 3.056 0.811 9.543 1.00 1.74 C ATOM 88 CZ2 TRP A 7 0.503 1.771 10.252 1.00 2.03 C ATOM 89 CZ3 TRP A 7 2.807 2.195 9.603 1.00 2.24 C ATOM 90 CH2 TRP A 7 1.534 2.678 9.959 1.00 2.36 C ATOM 0 H TRP A 7 3.257 -1.172 6.956 1.00 0.87 H new ATOM 0 HA TRP A 7 3.998 -3.728 8.047 1.00 0.93 H new ATOM 0 HB2 TRP A 7 2.778 -3.525 10.083 1.00 1.10 H new ATOM 0 HB3 TRP A 7 3.968 -2.238 10.045 1.00 1.10 H new ATOM 0 HD1 TRP A 7 0.310 -2.883 10.366 1.00 1.28 H new ATOM 0 HE1 TRP A 7 -0.998 -0.687 10.694 1.00 1.46 H new ATOM 0 HE3 TRP A 7 4.042 0.461 9.277 1.00 1.74 H new ATOM 0 HZ2 TRP A 7 -0.477 2.129 10.532 1.00 2.03 H new ATOM 0 HZ3 TRP A 7 3.599 2.892 9.374 1.00 2.24 H new ATOM 0 HH2 TRP A 7 1.351 3.741 10.007 1.00 2.36 H new ATOM 101 N VAL A 8 1.586 -4.525 7.579 1.00 1.13 N ATOM 102 CA VAL A 8 0.276 -5.029 7.141 1.00 1.31 C ATOM 103 C VAL A 8 -0.626 -5.093 8.378 1.00 1.46 C ATOM 104 O VAL A 8 -0.137 -5.364 9.476 1.00 1.66 O ATOM 105 CB VAL A 8 0.384 -6.429 6.487 1.00 1.41 C ATOM 106 CG1 VAL A 8 -0.941 -6.874 5.838 1.00 1.62 C ATOM 107 CG2 VAL A 8 1.495 -6.507 5.423 1.00 1.35 C ATOM 0 H VAL A 8 2.144 -5.229 8.063 1.00 1.13 H new ATOM 0 HA VAL A 8 -0.136 -4.361 6.384 1.00 1.31 H new ATOM 0 HB VAL A 8 0.632 -7.101 7.308 1.00 1.41 H new ATOM 0 HG11 VAL A 8 -0.815 -7.861 5.393 1.00 1.62 H new ATOM 0 HG12 VAL A 8 -1.722 -6.915 6.597 1.00 1.62 H new ATOM 0 HG13 VAL A 8 -1.225 -6.161 5.064 1.00 1.62 H new ATOM 0 HG21 VAL A 8 1.523 -7.511 5.000 1.00 1.35 H new ATOM 0 HG22 VAL A 8 1.292 -5.785 4.632 1.00 1.35 H new ATOM 0 HG23 VAL A 8 2.456 -6.280 5.884 1.00 1.35 H new ATOM 117 N ARG A 9 -1.936 -4.876 8.199 1.00 1.50 N ATOM 118 CA ARG A 9 -2.943 -5.229 9.212 1.00 1.52 C ATOM 119 C ARG A 9 -3.102 -6.770 9.266 1.00 1.21 C ATOM 120 O ARG A 9 -2.143 -7.508 9.478 1.00 2.07 O ATOM 121 CB ARG A 9 -4.222 -4.394 8.967 1.00 1.91 C ATOM 122 CG ARG A 9 -5.387 -4.651 9.948 1.00 2.54 C ATOM 123 CD ARG A 9 -6.377 -3.482 10.024 1.00 2.78 C ATOM 124 NE ARG A 9 -5.959 -2.518 11.046 1.00 3.27 N ATOM 125 CZ ARG A 9 -6.680 -1.568 11.619 1.00 4.18 C ATOM 126 NH1 ARG A 9 -7.888 -1.252 11.201 1.00 4.80 N ATOM 127 NH2 ARG A 9 -6.192 -0.930 12.659 1.00 5.09 N ATOM 0 H ARG A 9 -2.326 -4.455 7.356 1.00 1.50 H new ATOM 0 HA ARG A 9 -2.638 -4.962 10.224 1.00 1.52 H new ATOM 0 HB2 ARG A 9 -3.958 -3.337 9.013 1.00 1.91 H new ATOM 0 HB3 ARG A 9 -4.574 -4.591 7.954 1.00 1.91 H new ATOM 0 HG2 ARG A 9 -5.920 -5.551 9.642 1.00 2.54 H new ATOM 0 HG3 ARG A 9 -4.982 -4.842 10.942 1.00 2.54 H new ATOM 0 HD2 ARG A 9 -6.440 -2.988 9.054 1.00 2.78 H new ATOM 0 HD3 ARG A 9 -7.374 -3.857 10.256 1.00 2.78 H new ATOM 0 HE ARG A 9 -4.989 -2.588 11.355 1.00 3.27 H new ATOM 0 HH11 ARG A 9 -8.299 -1.746 10.409 1.00 4.80 H new ATOM 0 HH12 ARG A 9 -8.413 -0.513 11.669 1.00 4.80 H new ATOM 0 HH21 ARG A 9 -5.267 -1.169 13.016 1.00 5.09 H new ATOM 0 HH22 ARG A 9 -6.738 -0.196 13.109 1.00 5.09 H new ATOM 141 N PHE A 10 -4.294 -7.306 9.000 1.00 1.20 N ATOM 142 CA PHE A 10 -4.627 -8.721 9.161 1.00 1.00 C ATOM 143 C PHE A 10 -5.723 -9.141 8.175 1.00 0.85 C ATOM 144 O PHE A 10 -6.668 -8.387 7.957 1.00 1.03 O ATOM 145 CB PHE A 10 -5.082 -8.962 10.613 1.00 1.35 C ATOM 146 CG PHE A 10 -5.749 -10.311 10.809 1.00 1.49 C ATOM 147 CD1 PHE A 10 -4.977 -11.481 10.771 1.00 2.02 C ATOM 148 CD2 PHE A 10 -7.153 -10.401 10.907 1.00 2.94 C ATOM 149 CE1 PHE A 10 -5.603 -12.739 10.804 1.00 2.35 C ATOM 150 CE2 PHE A 10 -7.776 -11.661 10.957 1.00 3.08 C ATOM 151 CZ PHE A 10 -7.001 -12.832 10.899 1.00 2.12 C ATOM 0 H PHE A 10 -5.077 -6.750 8.656 1.00 1.20 H new ATOM 0 HA PHE A 10 -3.746 -9.326 8.948 1.00 1.00 H new ATOM 0 HB2 PHE A 10 -4.219 -8.890 11.275 1.00 1.35 H new ATOM 0 HB3 PHE A 10 -5.776 -8.174 10.906 1.00 1.35 H new ATOM 0 HD1 PHE A 10 -3.900 -11.415 10.716 1.00 2.02 H new ATOM 0 HD2 PHE A 10 -7.750 -9.502 10.944 1.00 2.94 H new ATOM 0 HE1 PHE A 10 -5.006 -13.638 10.756 1.00 2.35 H new ATOM 0 HE2 PHE A 10 -8.851 -11.729 11.040 1.00 3.08 H new ATOM 0 HZ PHE A 10 -7.479 -13.800 10.927 1.00 2.12 H new ATOM 161 N SER A 11 -5.620 -10.366 7.654 1.00 0.76 N ATOM 162 CA SER A 11 -6.670 -11.072 6.915 1.00 0.85 C ATOM 163 C SER A 11 -6.258 -12.533 6.652 1.00 0.86 C ATOM 164 O SER A 11 -5.079 -12.781 6.363 1.00 0.95 O ATOM 165 CB SER A 11 -6.971 -10.391 5.576 1.00 1.09 C ATOM 166 OG SER A 11 -8.091 -10.990 4.957 1.00 2.26 O ATOM 0 H SER A 11 -4.766 -10.917 7.739 1.00 0.76 H new ATOM 0 HA SER A 11 -7.569 -11.047 7.532 1.00 0.85 H new ATOM 0 HB2 SER A 11 -7.161 -9.330 5.736 1.00 1.09 H new ATOM 0 HB3 SER A 11 -6.103 -10.465 4.921 1.00 1.09 H new ATOM 0 HG SER A 11 -8.221 -10.600 4.067 1.00 2.26 H new ATOM 172 N PRO A 12 -7.203 -13.493 6.701 1.00 1.02 N ATOM 173 CA PRO A 12 -6.985 -14.842 6.188 1.00 1.20 C ATOM 174 C PRO A 12 -7.139 -14.916 4.660 1.00 1.14 C ATOM 175 O PRO A 12 -6.559 -15.793 4.022 1.00 1.30 O ATOM 176 CB PRO A 12 -8.058 -15.681 6.876 1.00 1.44 C ATOM 177 CG PRO A 12 -9.236 -14.717 7.025 1.00 1.43 C ATOM 178 CD PRO A 12 -8.548 -13.369 7.257 1.00 1.22 C ATOM 0 HA PRO A 12 -5.972 -15.189 6.392 1.00 1.20 H new ATOM 0 HB2 PRO A 12 -8.328 -16.553 6.280 1.00 1.44 H new ATOM 0 HB3 PRO A 12 -7.718 -16.050 7.844 1.00 1.44 H new ATOM 0 HG2 PRO A 12 -9.862 -14.703 6.133 1.00 1.43 H new ATOM 0 HG3 PRO A 12 -9.879 -14.991 7.861 1.00 1.43 H new ATOM 0 HD2 PRO A 12 -9.097 -12.563 6.770 1.00 1.22 H new ATOM 0 HD3 PRO A 12 -8.509 -13.131 8.320 1.00 1.22 H new ATOM 186 N GLY A 13 -7.931 -14.003 4.091 1.00 1.03 N ATOM 187 CA GLY A 13 -8.376 -13.980 2.698 1.00 1.05 C ATOM 188 C GLY A 13 -9.847 -13.541 2.585 1.00 1.05 C ATOM 189 O GLY A 13 -10.525 -13.429 3.606 1.00 1.07 O ATOM 0 H GLY A 13 -8.299 -13.215 4.623 1.00 1.03 H new ATOM 0 HA2 GLY A 13 -7.747 -13.299 2.125 1.00 1.05 H new ATOM 0 HA3 GLY A 13 -8.256 -14.971 2.260 1.00 1.05 H new ATOM 193 N PRO A 14 -10.366 -13.276 1.368 1.00 1.10 N ATOM 194 CA PRO A 14 -9.670 -13.361 0.083 1.00 1.14 C ATOM 195 C PRO A 14 -8.712 -12.186 -0.152 1.00 1.03 C ATOM 196 O PRO A 14 -7.835 -12.291 -1.008 1.00 1.10 O ATOM 197 CB PRO A 14 -10.792 -13.371 -0.962 1.00 1.32 C ATOM 198 CG PRO A 14 -11.878 -12.511 -0.317 1.00 1.27 C ATOM 199 CD PRO A 14 -11.751 -12.872 1.164 1.00 1.16 C ATOM 0 HA PRO A 14 -9.038 -14.248 0.036 1.00 1.14 H new ATOM 0 HB2 PRO A 14 -10.460 -12.954 -1.913 1.00 1.32 H new ATOM 0 HB3 PRO A 14 -11.146 -14.382 -1.163 1.00 1.32 H new ATOM 0 HG2 PRO A 14 -11.711 -11.448 -0.491 1.00 1.27 H new ATOM 0 HG3 PRO A 14 -12.868 -12.746 -0.709 1.00 1.27 H new ATOM 0 HD2 PRO A 14 -12.005 -12.020 1.795 1.00 1.16 H new ATOM 0 HD3 PRO A 14 -12.435 -13.679 1.428 1.00 1.16 H new ATOM 207 N ASN A 15 -8.834 -11.090 0.607 1.00 0.95 N ATOM 208 CA ASN A 15 -7.966 -9.925 0.490 1.00 0.83 C ATOM 209 C ASN A 15 -7.611 -9.261 1.828 1.00 0.68 C ATOM 210 O ASN A 15 -8.259 -9.447 2.857 1.00 0.85 O ATOM 211 CB ASN A 15 -8.544 -8.924 -0.522 1.00 1.14 C ATOM 212 CG ASN A 15 -9.892 -8.310 -0.185 1.00 1.45 C ATOM 213 OD1 ASN A 15 -10.494 -8.544 0.852 1.00 1.69 O ATOM 214 ND2 ASN A 15 -10.411 -7.520 -1.103 1.00 2.21 N ATOM 0 H ASN A 15 -9.550 -10.992 1.327 1.00 0.95 H new ATOM 0 HA ASN A 15 -7.012 -10.292 0.112 1.00 0.83 H new ATOM 0 HB2 ASN A 15 -7.824 -8.115 -0.648 1.00 1.14 H new ATOM 0 HB3 ASN A 15 -8.631 -9.427 -1.485 1.00 1.14 H new ATOM 0 HD21 ASN A 15 -11.326 -7.095 -0.952 1.00 2.21 H new ATOM 0 HD22 ASN A 15 -9.898 -7.333 -1.964 1.00 2.21 H new ATOM 221 N ALA A 16 -6.533 -8.489 1.778 1.00 0.55 N ATOM 222 CA ALA A 16 -5.903 -7.736 2.862 1.00 0.45 C ATOM 223 C ALA A 16 -5.664 -6.272 2.435 1.00 0.46 C ATOM 224 O ALA A 16 -5.994 -5.889 1.314 1.00 0.50 O ATOM 225 CB ALA A 16 -4.590 -8.449 3.230 1.00 0.52 C ATOM 0 H ALA A 16 -6.030 -8.361 0.900 1.00 0.55 H new ATOM 0 HA ALA A 16 -6.552 -7.703 3.737 1.00 0.45 H new ATOM 0 HB1 ALA A 16 -4.097 -7.909 4.038 1.00 0.52 H new ATOM 0 HB2 ALA A 16 -4.807 -9.467 3.554 1.00 0.52 H new ATOM 0 HB3 ALA A 16 -3.935 -8.477 2.359 1.00 0.52 H new ATOM 231 N ALA A 17 -5.075 -5.455 3.313 1.00 0.54 N ATOM 232 CA ALA A 17 -4.691 -4.064 3.047 1.00 0.66 C ATOM 233 C ALA A 17 -3.348 -3.767 3.742 1.00 0.90 C ATOM 234 O ALA A 17 -3.181 -4.129 4.911 1.00 1.30 O ATOM 235 CB ALA A 17 -5.791 -3.140 3.586 1.00 0.69 C ATOM 0 H ALA A 17 -4.844 -5.753 4.261 1.00 0.54 H new ATOM 0 HA ALA A 17 -4.574 -3.897 1.976 1.00 0.66 H new ATOM 0 HB1 ALA A 17 -5.520 -2.102 3.396 1.00 0.69 H new ATOM 0 HB2 ALA A 17 -6.733 -3.366 3.087 1.00 0.69 H new ATOM 0 HB3 ALA A 17 -5.903 -3.295 4.659 1.00 0.69 H new ATOM 241 N ALA A 18 -2.404 -3.136 3.032 1.00 0.71 N ATOM 242 CA ALA A 18 -1.027 -2.933 3.479 1.00 0.73 C ATOM 243 C ALA A 18 -0.512 -1.501 3.248 1.00 0.54 C ATOM 244 O ALA A 18 -0.916 -0.793 2.322 1.00 0.52 O ATOM 245 CB ALA A 18 -0.121 -3.950 2.774 1.00 0.88 C ATOM 0 H ALA A 18 -2.585 -2.744 2.108 1.00 0.71 H new ATOM 0 HA ALA A 18 -1.007 -3.084 4.558 1.00 0.73 H new ATOM 0 HB1 ALA A 18 0.909 -3.807 3.100 1.00 0.88 H new ATOM 0 HB2 ALA A 18 -0.444 -4.960 3.024 1.00 0.88 H new ATOM 0 HB3 ALA A 18 -0.183 -3.806 1.695 1.00 0.88 H new ATOM 251 N TYR A 19 0.406 -1.119 4.126 1.00 0.56 N ATOM 252 CA TYR A 19 0.844 0.249 4.410 1.00 0.61 C ATOM 253 C TYR A 19 2.381 0.309 4.404 1.00 0.68 C ATOM 254 O TYR A 19 3.010 -0.493 5.088 1.00 1.15 O ATOM 255 CB TYR A 19 0.279 0.608 5.802 1.00 0.68 C ATOM 256 CG TYR A 19 -1.210 0.356 5.930 1.00 0.74 C ATOM 257 CD1 TYR A 19 -2.125 1.196 5.267 1.00 2.01 C ATOM 258 CD2 TYR A 19 -1.682 -0.779 6.623 1.00 1.96 C ATOM 259 CE1 TYR A 19 -3.502 0.904 5.296 1.00 2.10 C ATOM 260 CE2 TYR A 19 -3.058 -1.080 6.646 1.00 2.07 C ATOM 261 CZ TYR A 19 -3.973 -0.234 5.976 1.00 1.15 C ATOM 262 OH TYR A 19 -5.306 -0.504 5.975 1.00 1.45 O ATOM 0 H TYR A 19 0.901 -1.801 4.700 1.00 0.56 H new ATOM 0 HA TYR A 19 0.488 0.956 3.660 1.00 0.61 H new ATOM 0 HB2 TYR A 19 0.805 0.028 6.560 1.00 0.68 H new ATOM 0 HB3 TYR A 19 0.481 1.659 6.008 1.00 0.68 H new ATOM 0 HD1 TYR A 19 -1.770 2.066 4.735 1.00 2.01 H new ATOM 0 HD2 TYR A 19 -0.984 -1.421 7.139 1.00 1.96 H new ATOM 0 HE1 TYR A 19 -4.200 1.557 4.794 1.00 2.10 H new ATOM 0 HE2 TYR A 19 -3.413 -1.953 7.173 1.00 2.07 H new ATOM 0 HH TYR A 19 -5.474 -1.323 6.486 1.00 1.45 H new ATOM 272 N LEU A 20 3.018 1.209 3.644 1.00 1.22 N ATOM 273 CA LEU A 20 4.484 1.207 3.470 1.00 1.20 C ATOM 274 C LEU A 20 5.068 2.513 2.934 1.00 1.01 C ATOM 275 O LEU A 20 4.364 3.361 2.382 1.00 0.93 O ATOM 276 CB LEU A 20 5.009 -0.066 2.736 1.00 1.35 C ATOM 277 CG LEU A 20 4.661 -0.347 1.257 1.00 1.22 C ATOM 278 CD1 LEU A 20 3.158 -0.478 0.986 1.00 2.77 C ATOM 279 CD2 LEU A 20 5.289 0.651 0.274 1.00 2.40 C ATOM 0 H LEU A 20 2.541 1.954 3.135 1.00 1.22 H new ATOM 0 HA LEU A 20 4.879 1.149 4.484 1.00 1.20 H new ATOM 0 HB2 LEU A 20 6.096 -0.047 2.807 1.00 1.35 H new ATOM 0 HB3 LEU A 20 4.667 -0.927 3.311 1.00 1.35 H new ATOM 0 HG LEU A 20 5.113 -1.322 1.074 1.00 1.22 H new ATOM 0 HD11 LEU A 20 2.995 -0.675 -0.074 1.00 2.77 H new ATOM 0 HD12 LEU A 20 2.753 -1.301 1.574 1.00 2.77 H new ATOM 0 HD13 LEU A 20 2.656 0.449 1.264 1.00 2.77 H new ATOM 0 HD21 LEU A 20 5.000 0.390 -0.744 1.00 2.40 H new ATOM 0 HD22 LEU A 20 4.939 1.657 0.504 1.00 2.40 H new ATOM 0 HD23 LEU A 20 6.375 0.616 0.364 1.00 2.40 H new ATOM 291 N THR A 21 6.382 2.663 3.131 1.00 1.11 N ATOM 292 CA THR A 21 7.151 3.885 2.894 1.00 1.12 C ATOM 293 C THR A 21 7.759 3.906 1.502 1.00 1.25 C ATOM 294 O THR A 21 8.517 3.001 1.141 1.00 1.53 O ATOM 295 CB THR A 21 8.270 3.949 3.931 1.00 1.30 C ATOM 296 OG1 THR A 21 7.691 3.928 5.204 1.00 1.56 O ATOM 297 CG2 THR A 21 9.223 5.135 3.780 1.00 1.71 C ATOM 0 H THR A 21 6.963 1.899 3.476 1.00 1.11 H new ATOM 0 HA THR A 21 6.483 4.742 2.977 1.00 1.12 H new ATOM 0 HB THR A 21 8.905 3.077 3.771 1.00 1.30 H new ATOM 0 HG1 THR A 21 7.647 4.841 5.558 1.00 1.56 H new ATOM 0 HG21 THR A 21 9.982 5.094 4.561 1.00 1.71 H new ATOM 0 HG22 THR A 21 9.705 5.093 2.803 1.00 1.71 H new ATOM 0 HG23 THR A 21 8.662 6.066 3.868 1.00 1.71 H new ATOM 305 N LEU A 22 7.517 4.993 0.765 1.00 1.29 N ATOM 306 CA LEU A 22 8.230 5.345 -0.464 1.00 1.59 C ATOM 307 C LEU A 22 9.076 6.606 -0.246 1.00 1.39 C ATOM 308 O LEU A 22 8.545 7.681 0.036 1.00 1.47 O ATOM 309 CB LEU A 22 7.214 5.542 -1.608 1.00 2.02 C ATOM 310 CG LEU A 22 7.834 5.980 -2.949 1.00 2.91 C ATOM 311 CD1 LEU A 22 8.969 5.058 -3.406 1.00 2.81 C ATOM 312 CD2 LEU A 22 6.730 6.010 -4.014 1.00 4.24 C ATOM 0 H LEU A 22 6.798 5.672 1.015 1.00 1.29 H new ATOM 0 HA LEU A 22 8.908 4.536 -0.738 1.00 1.59 H new ATOM 0 HB2 LEU A 22 6.673 4.608 -1.761 1.00 2.02 H new ATOM 0 HB3 LEU A 22 6.481 6.288 -1.301 1.00 2.02 H new ATOM 0 HG LEU A 22 8.269 6.970 -2.809 1.00 2.91 H new ATOM 0 HD11 LEU A 22 9.368 5.415 -4.356 1.00 2.81 H new ATOM 0 HD12 LEU A 22 9.761 5.057 -2.657 1.00 2.81 H new ATOM 0 HD13 LEU A 22 8.587 4.045 -3.531 1.00 2.81 H new ATOM 0 HD21 LEU A 22 7.154 6.319 -4.969 1.00 4.24 H new ATOM 0 HD22 LEU A 22 6.294 5.016 -4.115 1.00 4.24 H new ATOM 0 HD23 LEU A 22 5.956 6.717 -3.716 1.00 4.24 H new ATOM 324 N GLU A 23 10.381 6.495 -0.470 1.00 1.30 N ATOM 325 CA GLU A 23 11.309 7.621 -0.539 1.00 1.26 C ATOM 326 C GLU A 23 12.008 7.614 -1.898 1.00 1.10 C ATOM 327 O GLU A 23 12.307 6.548 -2.440 1.00 1.26 O ATOM 328 CB GLU A 23 12.299 7.520 0.622 1.00 1.63 C ATOM 329 CG GLU A 23 13.251 8.716 0.711 1.00 3.27 C ATOM 330 CD GLU A 23 13.798 8.777 2.129 1.00 3.78 C ATOM 331 OE1 GLU A 23 13.048 9.285 2.999 1.00 4.51 O ATOM 332 OE2 GLU A 23 14.889 8.221 2.369 1.00 4.12 O ATOM 0 H GLU A 23 10.837 5.594 -0.613 1.00 1.30 H new ATOM 0 HA GLU A 23 10.780 8.569 -0.446 1.00 1.26 H new ATOM 0 HB2 GLU A 23 11.745 7.435 1.557 1.00 1.63 H new ATOM 0 HB3 GLU A 23 12.883 6.606 0.514 1.00 1.63 H new ATOM 0 HG2 GLU A 23 14.064 8.610 -0.007 1.00 3.27 H new ATOM 0 HG3 GLU A 23 12.727 9.639 0.465 1.00 3.27 H new ATOM 339 N ASN A 24 12.239 8.798 -2.464 1.00 1.01 N ATOM 340 CA ASN A 24 12.830 8.957 -3.785 1.00 0.88 C ATOM 341 C ASN A 24 14.291 9.433 -3.691 1.00 0.94 C ATOM 342 O ASN A 24 14.536 10.634 -3.562 1.00 1.07 O ATOM 343 CB ASN A 24 11.973 9.941 -4.590 1.00 0.85 C ATOM 344 CG ASN A 24 12.381 9.949 -6.057 1.00 0.79 C ATOM 345 OD1 ASN A 24 13.309 9.272 -6.484 1.00 1.37 O ATOM 346 ND2 ASN A 24 11.674 10.707 -6.864 1.00 0.91 N ATOM 0 H ASN A 24 12.017 9.683 -2.009 1.00 1.01 H new ATOM 0 HA ASN A 24 12.848 7.993 -4.293 1.00 0.88 H new ATOM 0 HB2 ASN A 24 10.921 9.668 -4.503 1.00 0.85 H new ATOM 0 HB3 ASN A 24 12.077 10.943 -4.175 1.00 0.85 H new ATOM 0 HD21 ASN A 24 11.895 10.737 -7.859 1.00 0.91 H new ATOM 0 HD22 ASN A 24 10.904 11.265 -6.495 1.00 0.91 H new ATOM 353 N PRO A 25 15.284 8.530 -3.781 1.00 0.96 N ATOM 354 CA PRO A 25 16.697 8.901 -3.761 1.00 1.08 C ATOM 355 C PRO A 25 17.224 9.434 -5.104 1.00 1.05 C ATOM 356 O PRO A 25 18.375 9.863 -5.158 1.00 1.21 O ATOM 357 CB PRO A 25 17.423 7.613 -3.353 1.00 1.18 C ATOM 358 CG PRO A 25 16.541 6.526 -3.969 1.00 1.12 C ATOM 359 CD PRO A 25 15.140 7.081 -3.750 1.00 1.01 C ATOM 0 HA PRO A 25 16.865 9.729 -3.073 1.00 1.08 H new ATOM 0 HB2 PRO A 25 18.440 7.580 -3.743 1.00 1.18 H new ATOM 0 HB3 PRO A 25 17.494 7.513 -2.270 1.00 1.18 H new ATOM 0 HG2 PRO A 25 16.758 6.377 -5.027 1.00 1.12 H new ATOM 0 HG3 PRO A 25 16.679 5.563 -3.477 1.00 1.12 H new ATOM 0 HD2 PRO A 25 14.457 6.738 -4.527 1.00 1.01 H new ATOM 0 HD3 PRO A 25 14.731 6.748 -2.796 1.00 1.01 H new ATOM 367 N GLY A 26 16.428 9.415 -6.183 1.00 0.96 N ATOM 368 CA GLY A 26 16.821 9.927 -7.486 1.00 1.00 C ATOM 369 C GLY A 26 16.535 11.416 -7.605 1.00 0.96 C ATOM 370 O GLY A 26 15.757 11.990 -6.855 1.00 1.34 O ATOM 0 H GLY A 26 15.481 9.036 -6.165 1.00 0.96 H new ATOM 0 HA2 GLY A 26 17.884 9.745 -7.645 1.00 1.00 H new ATOM 0 HA3 GLY A 26 16.285 9.388 -8.267 1.00 1.00 H new ATOM 374 N ASP A 27 17.160 12.022 -8.604 1.00 0.95 N ATOM 375 CA ASP A 27 17.020 13.420 -9.006 1.00 1.37 C ATOM 376 C ASP A 27 15.901 13.622 -10.048 1.00 1.32 C ATOM 377 O ASP A 27 15.653 14.727 -10.529 1.00 1.61 O ATOM 378 CB ASP A 27 18.393 13.857 -9.518 1.00 1.84 C ATOM 379 CG ASP A 27 19.279 14.242 -8.336 1.00 2.42 C ATOM 380 OD1 ASP A 27 19.022 15.296 -7.714 1.00 3.51 O ATOM 381 OD2 ASP A 27 20.117 13.413 -7.912 1.00 2.60 O ATOM 0 H ASP A 27 17.822 11.520 -9.196 1.00 0.95 H new ATOM 0 HA ASP A 27 16.713 14.039 -8.163 1.00 1.37 H new ATOM 0 HB2 ASP A 27 18.856 13.049 -10.085 1.00 1.84 H new ATOM 0 HB3 ASP A 27 18.287 14.703 -10.197 1.00 1.84 H new ATOM 386 N LEU A 28 15.189 12.537 -10.349 1.00 1.01 N ATOM 387 CA LEU A 28 14.021 12.461 -11.219 1.00 0.97 C ATOM 388 C LEU A 28 12.794 11.968 -10.427 1.00 0.84 C ATOM 389 O LEU A 28 12.960 11.250 -9.436 1.00 0.81 O ATOM 390 CB LEU A 28 14.386 11.587 -12.430 1.00 1.02 C ATOM 391 CG LEU A 28 14.705 10.100 -12.138 1.00 2.06 C ATOM 392 CD1 LEU A 28 13.452 9.205 -12.143 1.00 2.89 C ATOM 393 CD2 LEU A 28 15.676 9.567 -13.202 1.00 2.92 C ATOM 0 H LEU A 28 15.432 11.625 -9.963 1.00 1.01 H new ATOM 0 HA LEU A 28 13.737 13.443 -11.598 1.00 0.97 H new ATOM 0 HB2 LEU A 28 13.560 11.626 -13.140 1.00 1.02 H new ATOM 0 HB3 LEU A 28 15.251 12.031 -12.923 1.00 1.02 H new ATOM 0 HG LEU A 28 15.142 10.064 -11.140 1.00 2.06 H new ATOM 0 HD11 LEU A 28 13.740 8.175 -11.932 1.00 2.89 H new ATOM 0 HD12 LEU A 28 12.755 9.550 -11.379 1.00 2.89 H new ATOM 0 HD13 LEU A 28 12.973 9.255 -13.121 1.00 2.89 H new ATOM 0 HD21 LEU A 28 15.901 8.520 -12.997 1.00 2.92 H new ATOM 0 HD22 LEU A 28 15.219 9.654 -14.188 1.00 2.92 H new ATOM 0 HD23 LEU A 28 16.598 10.148 -13.177 1.00 2.92 H new ATOM 405 N PRO A 29 11.564 12.330 -10.829 1.00 0.85 N ATOM 406 CA PRO A 29 10.370 12.010 -10.059 1.00 0.80 C ATOM 407 C PRO A 29 9.976 10.540 -10.255 1.00 0.71 C ATOM 408 O PRO A 29 10.074 9.999 -11.357 1.00 0.82 O ATOM 409 CB PRO A 29 9.294 12.975 -10.561 1.00 0.90 C ATOM 410 CG PRO A 29 9.701 13.246 -12.010 1.00 0.97 C ATOM 411 CD PRO A 29 11.228 13.097 -12.019 1.00 0.95 C ATOM 0 HA PRO A 29 10.523 12.127 -8.986 1.00 0.80 H new ATOM 0 HB2 PRO A 29 8.299 12.533 -10.500 1.00 0.90 H new ATOM 0 HB3 PRO A 29 9.272 13.892 -9.973 1.00 0.90 H new ATOM 0 HG2 PRO A 29 9.230 12.539 -12.693 1.00 0.97 H new ATOM 0 HG3 PRO A 29 9.398 14.244 -12.326 1.00 0.97 H new ATOM 0 HD2 PRO A 29 11.565 12.585 -12.921 1.00 0.95 H new ATOM 0 HD3 PRO A 29 11.715 14.072 -12.005 1.00 0.95 H new ATOM 419 N LEU A 30 9.501 9.897 -9.182 1.00 0.63 N ATOM 420 CA LEU A 30 8.929 8.550 -9.227 1.00 0.59 C ATOM 421 C LEU A 30 7.415 8.609 -9.319 1.00 0.60 C ATOM 422 O LEU A 30 6.757 9.463 -8.736 1.00 0.70 O ATOM 423 CB LEU A 30 9.315 7.720 -7.993 1.00 0.62 C ATOM 424 CG LEU A 30 10.770 7.241 -8.040 1.00 0.69 C ATOM 425 CD1 LEU A 30 11.200 6.738 -6.652 1.00 1.80 C ATOM 426 CD2 LEU A 30 11.029 6.125 -9.061 1.00 1.65 C ATOM 0 H LEU A 30 9.504 10.304 -8.247 1.00 0.63 H new ATOM 0 HA LEU A 30 9.338 8.069 -10.116 1.00 0.59 H new ATOM 0 HB2 LEU A 30 9.161 8.318 -7.095 1.00 0.62 H new ATOM 0 HB3 LEU A 30 8.654 6.857 -7.918 1.00 0.62 H new ATOM 0 HG LEU A 30 11.354 8.106 -8.353 1.00 0.69 H new ATOM 0 HD11 LEU A 30 12.235 6.399 -6.692 1.00 1.80 H new ATOM 0 HD12 LEU A 30 11.111 7.548 -5.928 1.00 1.80 H new ATOM 0 HD13 LEU A 30 10.559 5.910 -6.350 1.00 1.80 H new ATOM 0 HD21 LEU A 30 12.081 5.843 -9.032 1.00 1.65 H new ATOM 0 HD22 LEU A 30 10.414 5.259 -8.817 1.00 1.65 H new ATOM 0 HD23 LEU A 30 10.776 6.480 -10.060 1.00 1.65 H new ATOM 438 N ARG A 31 6.878 7.592 -9.976 1.00 0.55 N ATOM 439 CA ARG A 31 5.430 7.405 -10.130 1.00 0.49 C ATOM 440 C ARG A 31 5.040 5.953 -9.889 1.00 0.43 C ATOM 441 O ARG A 31 5.250 5.093 -10.741 1.00 0.47 O ATOM 442 CB ARG A 31 4.953 7.948 -11.485 1.00 0.49 C ATOM 443 CG ARG A 31 3.429 8.152 -11.478 1.00 0.50 C ATOM 444 CD ARG A 31 2.906 8.896 -12.711 1.00 0.66 C ATOM 445 NE ARG A 31 3.407 10.284 -12.762 1.00 0.94 N ATOM 446 CZ ARG A 31 4.187 10.873 -13.660 1.00 1.28 C ATOM 447 NH1 ARG A 31 4.565 10.287 -14.781 1.00 2.35 N ATOM 448 NH2 ARG A 31 4.611 12.088 -13.418 1.00 1.74 N ATOM 0 H ARG A 31 7.434 6.863 -10.424 1.00 0.55 H new ATOM 0 HA ARG A 31 4.913 7.987 -9.367 1.00 0.49 H new ATOM 0 HB2 ARG A 31 5.451 8.893 -11.700 1.00 0.49 H new ATOM 0 HB3 ARG A 31 5.229 7.254 -12.279 1.00 0.49 H new ATOM 0 HG2 ARG A 31 2.941 7.180 -11.416 1.00 0.50 H new ATOM 0 HG3 ARG A 31 3.149 8.707 -10.583 1.00 0.50 H new ATOM 0 HD2 ARG A 31 3.211 8.365 -13.613 1.00 0.66 H new ATOM 0 HD3 ARG A 31 1.816 8.902 -12.698 1.00 0.66 H new ATOM 0 HE ARG A 31 3.108 10.881 -11.990 1.00 0.94 H new ATOM 0 HH11 ARG A 31 4.256 9.337 -14.989 1.00 2.35 H new ATOM 0 HH12 ARG A 31 5.166 10.784 -15.439 1.00 2.35 H new ATOM 0 HH21 ARG A 31 4.341 12.560 -12.555 1.00 1.74 H new ATOM 0 HH22 ARG A 31 5.212 12.562 -14.092 1.00 1.74 H new ATOM 462 N LEU A 32 4.539 5.677 -8.692 1.00 0.43 N ATOM 463 CA LEU A 32 4.202 4.362 -8.165 1.00 0.41 C ATOM 464 C LEU A 32 2.792 4.005 -8.645 1.00 0.40 C ATOM 465 O LEU A 32 1.805 4.456 -8.076 1.00 0.46 O ATOM 466 CB LEU A 32 4.332 4.463 -6.631 1.00 0.48 C ATOM 467 CG LEU A 32 4.488 3.157 -5.822 1.00 0.79 C ATOM 468 CD1 LEU A 32 3.858 3.321 -4.427 1.00 1.80 C ATOM 469 CD2 LEU A 32 3.928 1.902 -6.489 1.00 1.65 C ATOM 0 H LEU A 32 4.344 6.417 -8.018 1.00 0.43 H new ATOM 0 HA LEU A 32 4.859 3.564 -8.511 1.00 0.41 H new ATOM 0 HB2 LEU A 32 5.192 5.095 -6.411 1.00 0.48 H new ATOM 0 HB3 LEU A 32 3.450 4.983 -6.256 1.00 0.48 H new ATOM 0 HG LEU A 32 5.564 2.997 -5.755 1.00 0.79 H new ATOM 0 HD11 LEU A 32 3.973 2.395 -3.864 1.00 1.80 H new ATOM 0 HD12 LEU A 32 4.356 4.132 -3.896 1.00 1.80 H new ATOM 0 HD13 LEU A 32 2.798 3.553 -4.531 1.00 1.80 H new ATOM 0 HD21 LEU A 32 4.088 1.042 -5.839 1.00 1.65 H new ATOM 0 HD22 LEU A 32 2.860 2.029 -6.665 1.00 1.65 H new ATOM 0 HD23 LEU A 32 4.436 1.738 -7.440 1.00 1.65 H new ATOM 481 N VAL A 33 2.705 3.230 -9.721 1.00 0.41 N ATOM 482 CA VAL A 33 1.444 2.955 -10.437 1.00 0.41 C ATOM 483 C VAL A 33 0.761 1.662 -9.965 1.00 0.41 C ATOM 484 O VAL A 33 -0.449 1.511 -10.109 1.00 0.45 O ATOM 485 CB VAL A 33 1.648 2.911 -11.974 1.00 0.43 C ATOM 486 CG1 VAL A 33 2.132 4.263 -12.529 1.00 0.49 C ATOM 487 CG2 VAL A 33 2.651 1.835 -12.443 1.00 0.45 C ATOM 0 H VAL A 33 3.514 2.765 -10.133 1.00 0.41 H new ATOM 0 HA VAL A 33 0.784 3.788 -10.195 1.00 0.41 H new ATOM 0 HB VAL A 33 0.660 2.662 -12.362 1.00 0.43 H new ATOM 0 HG11 VAL A 33 2.262 4.188 -13.609 1.00 0.49 H new ATOM 0 HG12 VAL A 33 1.394 5.033 -12.305 1.00 0.49 H new ATOM 0 HG13 VAL A 33 3.083 4.527 -12.067 1.00 0.49 H new ATOM 0 HG21 VAL A 33 2.739 1.868 -13.529 1.00 0.45 H new ATOM 0 HG22 VAL A 33 3.626 2.026 -11.994 1.00 0.45 H new ATOM 0 HG23 VAL A 33 2.298 0.850 -12.137 1.00 0.45 H new ATOM 497 N GLY A 34 1.535 0.714 -9.424 1.00 0.38 N ATOM 498 CA GLY A 34 1.029 -0.558 -8.906 1.00 0.40 C ATOM 499 C GLY A 34 1.979 -1.226 -7.927 1.00 0.39 C ATOM 500 O GLY A 34 3.052 -0.709 -7.634 1.00 0.38 O ATOM 0 H GLY A 34 2.546 0.813 -9.333 1.00 0.38 H new ATOM 0 HA2 GLY A 34 0.071 -0.387 -8.414 1.00 0.40 H new ATOM 0 HA3 GLY A 34 0.843 -1.234 -9.740 1.00 0.40 H new ATOM 504 N ALA A 35 1.611 -2.414 -7.462 1.00 0.43 N ATOM 505 CA ALA A 35 2.467 -3.253 -6.638 1.00 0.46 C ATOM 506 C ALA A 35 2.505 -4.692 -7.165 1.00 0.47 C ATOM 507 O ALA A 35 1.809 -5.035 -8.122 1.00 0.50 O ATOM 508 CB ALA A 35 1.979 -3.157 -5.184 1.00 0.49 C ATOM 0 H ALA A 35 0.697 -2.825 -7.650 1.00 0.43 H new ATOM 0 HA ALA A 35 3.498 -2.903 -6.680 1.00 0.46 H new ATOM 0 HB1 ALA A 35 2.608 -3.780 -4.547 1.00 0.49 H new ATOM 0 HB2 ALA A 35 2.036 -2.121 -4.849 1.00 0.49 H new ATOM 0 HB3 ALA A 35 0.947 -3.502 -5.123 1.00 0.49 H new ATOM 514 N ARG A 36 3.285 -5.524 -6.480 1.00 0.52 N ATOM 515 CA ARG A 36 3.317 -6.992 -6.523 1.00 0.57 C ATOM 516 C ARG A 36 3.731 -7.467 -5.108 1.00 0.63 C ATOM 517 O ARG A 36 4.026 -6.642 -4.242 1.00 0.76 O ATOM 518 CB ARG A 36 4.255 -7.480 -7.657 1.00 0.68 C ATOM 519 CG ARG A 36 3.635 -7.588 -9.062 1.00 1.44 C ATOM 520 CD ARG A 36 3.502 -9.032 -9.559 1.00 1.76 C ATOM 521 NE ARG A 36 2.416 -9.742 -8.863 1.00 2.78 N ATOM 522 CZ ARG A 36 2.506 -10.499 -7.778 1.00 3.92 C ATOM 523 NH1 ARG A 36 3.655 -10.797 -7.209 1.00 4.23 N ATOM 524 NH2 ARG A 36 1.408 -10.956 -7.224 1.00 5.42 N ATOM 0 H ARG A 36 3.973 -5.161 -5.821 1.00 0.52 H new ATOM 0 HA ARG A 36 2.346 -7.424 -6.764 1.00 0.57 H new ATOM 0 HB2 ARG A 36 5.107 -6.802 -7.711 1.00 0.68 H new ATOM 0 HB3 ARG A 36 4.645 -8.459 -7.380 1.00 0.68 H new ATOM 0 HG2 ARG A 36 2.649 -7.122 -9.053 1.00 1.44 H new ATOM 0 HG3 ARG A 36 4.247 -7.024 -9.766 1.00 1.44 H new ATOM 0 HD2 ARG A 36 3.310 -9.033 -10.632 1.00 1.76 H new ATOM 0 HD3 ARG A 36 4.443 -9.560 -9.403 1.00 1.76 H new ATOM 0 HE ARG A 36 1.483 -9.639 -9.263 1.00 2.78 H new ATOM 0 HH11 ARG A 36 4.526 -10.441 -7.602 1.00 4.23 H new ATOM 0 HH12 ARG A 36 3.674 -11.384 -6.375 1.00 4.23 H new ATOM 0 HH21 ARG A 36 0.500 -10.728 -7.628 1.00 5.42 H new ATOM 0 HH22 ARG A 36 1.463 -11.539 -6.389 1.00 5.42 H new ATOM 538 N THR A 37 3.659 -8.771 -4.824 1.00 0.69 N ATOM 539 CA THR A 37 3.857 -9.413 -3.501 1.00 0.72 C ATOM 540 C THR A 37 3.743 -10.933 -3.670 1.00 0.80 C ATOM 541 O THR A 37 3.003 -11.368 -4.562 1.00 0.81 O ATOM 542 CB THR A 37 2.886 -8.855 -2.432 1.00 0.66 C ATOM 543 OG1 THR A 37 2.895 -9.663 -1.283 1.00 0.74 O ATOM 544 CG2 THR A 37 1.435 -8.782 -2.906 1.00 0.65 C ATOM 0 H THR A 37 3.449 -9.457 -5.549 1.00 0.69 H new ATOM 0 HA THR A 37 4.854 -9.177 -3.129 1.00 0.72 H new ATOM 0 HB THR A 37 3.245 -7.847 -2.225 1.00 0.66 H new ATOM 0 HG1 THR A 37 3.619 -9.377 -0.688 1.00 0.74 H new ATOM 0 HG21 THR A 37 0.811 -8.382 -2.107 1.00 0.65 H new ATOM 0 HG22 THR A 37 1.369 -8.131 -3.778 1.00 0.65 H new ATOM 0 HG23 THR A 37 1.088 -9.781 -3.172 1.00 0.65 H new ATOM 552 N PRO A 38 4.450 -11.776 -2.888 1.00 0.93 N ATOM 553 CA PRO A 38 4.423 -13.222 -3.086 1.00 1.05 C ATOM 554 C PRO A 38 3.153 -13.900 -2.555 1.00 0.92 C ATOM 555 O PRO A 38 2.798 -14.962 -3.055 1.00 1.02 O ATOM 556 CB PRO A 38 5.678 -13.747 -2.390 1.00 1.21 C ATOM 557 CG PRO A 38 5.940 -12.732 -1.281 1.00 1.17 C ATOM 558 CD PRO A 38 5.457 -11.420 -1.895 1.00 1.06 C ATOM 0 HA PRO A 38 4.409 -13.455 -4.151 1.00 1.05 H new ATOM 0 HB2 PRO A 38 5.521 -14.747 -1.986 1.00 1.21 H new ATOM 0 HB3 PRO A 38 6.520 -13.810 -3.080 1.00 1.21 H new ATOM 0 HG2 PRO A 38 5.392 -12.978 -0.371 1.00 1.17 H new ATOM 0 HG3 PRO A 38 6.996 -12.688 -1.015 1.00 1.17 H new ATOM 0 HD2 PRO A 38 5.035 -10.766 -1.132 1.00 1.06 H new ATOM 0 HD3 PRO A 38 6.284 -10.880 -2.357 1.00 1.06 H new ATOM 566 N VAL A 39 2.459 -13.307 -1.572 1.00 0.84 N ATOM 567 CA VAL A 39 1.298 -13.918 -0.892 1.00 0.80 C ATOM 568 C VAL A 39 -0.035 -13.215 -1.170 1.00 0.78 C ATOM 569 O VAL A 39 -0.994 -13.387 -0.426 1.00 0.80 O ATOM 570 CB VAL A 39 1.551 -14.043 0.626 1.00 0.97 C ATOM 571 CG1 VAL A 39 2.681 -15.039 0.925 1.00 1.12 C ATOM 572 CG2 VAL A 39 1.853 -12.675 1.258 1.00 1.19 C ATOM 0 H VAL A 39 2.688 -12.378 -1.220 1.00 0.84 H new ATOM 0 HA VAL A 39 1.198 -14.914 -1.322 1.00 0.80 H new ATOM 0 HB VAL A 39 0.635 -14.427 1.075 1.00 0.97 H new ATOM 0 HG11 VAL A 39 2.834 -15.103 2.002 1.00 1.12 H new ATOM 0 HG12 VAL A 39 2.412 -16.022 0.537 1.00 1.12 H new ATOM 0 HG13 VAL A 39 3.601 -14.700 0.448 1.00 1.12 H new ATOM 0 HG21 VAL A 39 2.026 -12.798 2.327 1.00 1.19 H new ATOM 0 HG22 VAL A 39 2.742 -12.248 0.793 1.00 1.19 H new ATOM 0 HG23 VAL A 39 1.006 -12.007 1.102 1.00 1.19 H new ATOM 582 N ALA A 40 -0.110 -12.502 -2.293 1.00 0.88 N ATOM 583 CA ALA A 40 -1.353 -12.094 -2.951 1.00 0.86 C ATOM 584 C ALA A 40 -1.114 -12.124 -4.466 1.00 1.13 C ATOM 585 O ALA A 40 0.007 -11.937 -4.940 1.00 1.43 O ATOM 586 CB ALA A 40 -1.770 -10.707 -2.465 1.00 0.82 C ATOM 0 H ALA A 40 0.722 -12.181 -2.788 1.00 0.88 H new ATOM 0 HA ALA A 40 -2.169 -12.774 -2.706 1.00 0.86 H new ATOM 0 HB1 ALA A 40 -2.695 -10.411 -2.959 1.00 0.82 H new ATOM 0 HB2 ALA A 40 -1.926 -10.731 -1.387 1.00 0.82 H new ATOM 0 HB3 ALA A 40 -0.986 -9.988 -2.702 1.00 0.82 H new ATOM 592 N GLU A 41 -2.161 -12.406 -5.224 1.00 1.14 N ATOM 593 CA GLU A 41 -2.093 -12.645 -6.662 1.00 1.39 C ATOM 594 C GLU A 41 -2.102 -11.327 -7.440 1.00 1.48 C ATOM 595 O GLU A 41 -1.205 -11.031 -8.234 1.00 1.91 O ATOM 596 CB GLU A 41 -3.332 -13.474 -6.989 1.00 1.44 C ATOM 597 CG GLU A 41 -3.339 -14.056 -8.394 1.00 1.64 C ATOM 598 CD GLU A 41 -4.657 -14.789 -8.541 1.00 1.64 C ATOM 599 OE1 GLU A 41 -4.775 -15.859 -7.901 1.00 2.47 O ATOM 600 OE2 GLU A 41 -5.571 -14.205 -9.167 1.00 3.00 O ATOM 0 H GLU A 41 -3.107 -12.478 -4.850 1.00 1.14 H new ATOM 0 HA GLU A 41 -1.173 -13.158 -6.942 1.00 1.39 H new ATOM 0 HB2 GLU A 41 -3.410 -14.289 -6.270 1.00 1.44 H new ATOM 0 HB3 GLU A 41 -4.217 -12.850 -6.862 1.00 1.44 H new ATOM 0 HG2 GLU A 41 -3.246 -13.269 -9.142 1.00 1.64 H new ATOM 0 HG3 GLU A 41 -2.498 -14.734 -8.539 1.00 1.64 H new ATOM 607 N ARG A 42 -3.131 -10.533 -7.147 1.00 1.17 N ATOM 608 CA ARG A 42 -3.424 -9.213 -7.656 1.00 1.14 C ATOM 609 C ARG A 42 -3.349 -8.262 -6.459 1.00 0.94 C ATOM 610 O ARG A 42 -3.309 -8.666 -5.299 1.00 1.32 O ATOM 611 CB ARG A 42 -4.827 -9.250 -8.300 1.00 1.20 C ATOM 612 CG ARG A 42 -4.822 -10.053 -9.618 1.00 1.92 C ATOM 613 CD ARG A 42 -6.232 -10.306 -10.177 1.00 2.05 C ATOM 614 NE ARG A 42 -6.651 -11.713 -10.025 1.00 3.15 N ATOM 615 CZ ARG A 42 -7.798 -12.258 -10.411 1.00 3.92 C ATOM 616 NH1 ARG A 42 -8.775 -11.552 -10.941 1.00 3.84 N ATOM 617 NH2 ARG A 42 -7.959 -13.550 -10.250 1.00 5.49 N ATOM 0 H ARG A 42 -3.843 -10.836 -6.483 1.00 1.17 H new ATOM 0 HA ARG A 42 -2.724 -8.876 -8.421 1.00 1.14 H new ATOM 0 HB2 ARG A 42 -5.537 -9.696 -7.603 1.00 1.20 H new ATOM 0 HB3 ARG A 42 -5.167 -8.233 -8.494 1.00 1.20 H new ATOM 0 HG2 ARG A 42 -4.234 -9.515 -10.362 1.00 1.92 H new ATOM 0 HG3 ARG A 42 -4.327 -11.010 -9.451 1.00 1.92 H new ATOM 0 HD2 ARG A 42 -6.945 -9.660 -9.665 1.00 2.05 H new ATOM 0 HD3 ARG A 42 -6.256 -10.034 -11.232 1.00 2.05 H new ATOM 0 HE ARG A 42 -5.984 -12.337 -9.572 1.00 3.15 H new ATOM 0 HH11 ARG A 42 -8.666 -10.546 -11.068 1.00 3.84 H new ATOM 0 HH12 ARG A 42 -9.641 -12.011 -11.224 1.00 3.84 H new ATOM 0 HH21 ARG A 42 -7.213 -14.109 -9.837 1.00 5.49 H new ATOM 0 HH22 ARG A 42 -8.830 -13.995 -10.538 1.00 5.49 H new ATOM 631 N VAL A 43 -3.317 -6.978 -6.744 1.00 0.64 N ATOM 632 CA VAL A 43 -3.188 -5.897 -5.773 1.00 0.57 C ATOM 633 C VAL A 43 -3.756 -4.622 -6.397 1.00 0.66 C ATOM 634 O VAL A 43 -3.499 -4.351 -7.568 1.00 0.95 O ATOM 635 CB VAL A 43 -1.726 -5.761 -5.308 1.00 0.68 C ATOM 636 CG1 VAL A 43 -0.723 -5.477 -6.432 1.00 0.85 C ATOM 637 CG2 VAL A 43 -1.556 -4.727 -4.191 1.00 0.79 C ATOM 0 H VAL A 43 -3.383 -6.637 -7.703 1.00 0.64 H new ATOM 0 HA VAL A 43 -3.760 -6.109 -4.870 1.00 0.57 H new ATOM 0 HB VAL A 43 -1.490 -6.750 -4.916 1.00 0.68 H new ATOM 0 HG11 VAL A 43 0.280 -5.397 -6.013 1.00 0.85 H new ATOM 0 HG12 VAL A 43 -0.749 -6.290 -7.157 1.00 0.85 H new ATOM 0 HG13 VAL A 43 -0.986 -4.542 -6.926 1.00 0.85 H new ATOM 0 HG21 VAL A 43 -0.506 -4.673 -3.902 1.00 0.79 H new ATOM 0 HG22 VAL A 43 -1.886 -3.751 -4.546 1.00 0.79 H new ATOM 0 HG23 VAL A 43 -2.155 -5.021 -3.329 1.00 0.79 H new ATOM 647 N GLU A 44 -4.566 -3.888 -5.642 1.00 0.55 N ATOM 648 CA GLU A 44 -5.215 -2.642 -6.062 1.00 0.56 C ATOM 649 C GLU A 44 -4.662 -1.480 -5.243 1.00 0.50 C ATOM 650 O GLU A 44 -4.567 -1.572 -4.021 1.00 0.67 O ATOM 651 CB GLU A 44 -6.724 -2.709 -5.794 1.00 0.81 C ATOM 652 CG GLU A 44 -7.480 -3.691 -6.694 1.00 1.19 C ATOM 653 CD GLU A 44 -8.836 -4.057 -6.078 1.00 1.96 C ATOM 654 OE1 GLU A 44 -9.465 -3.156 -5.478 1.00 2.87 O ATOM 655 OE2 GLU A 44 -9.210 -5.244 -6.183 1.00 2.94 O ATOM 0 H GLU A 44 -4.800 -4.150 -4.685 1.00 0.55 H new ATOM 0 HA GLU A 44 -5.025 -2.502 -7.126 1.00 0.56 H new ATOM 0 HB2 GLU A 44 -6.884 -2.991 -4.753 1.00 0.81 H new ATOM 0 HB3 GLU A 44 -7.149 -1.714 -5.924 1.00 0.81 H new ATOM 0 HG2 GLU A 44 -7.630 -3.248 -7.679 1.00 1.19 H new ATOM 0 HG3 GLU A 44 -6.885 -4.593 -6.837 1.00 1.19 H new ATOM 662 N LEU A 45 -4.358 -0.355 -5.891 1.00 0.51 N ATOM 663 CA LEU A 45 -4.033 0.872 -5.164 1.00 0.49 C ATOM 664 C LEU A 45 -5.328 1.595 -4.773 1.00 0.38 C ATOM 665 O LEU A 45 -6.157 1.919 -5.625 1.00 0.43 O ATOM 666 CB LEU A 45 -3.101 1.743 -6.014 1.00 0.69 C ATOM 667 CG LEU A 45 -2.613 2.991 -5.255 1.00 0.67 C ATOM 668 CD1 LEU A 45 -1.510 2.700 -4.230 1.00 0.71 C ATOM 669 CD2 LEU A 45 -2.082 3.994 -6.267 1.00 1.22 C ATOM 0 H LEU A 45 -4.330 -0.268 -6.907 1.00 0.51 H new ATOM 0 HA LEU A 45 -3.502 0.639 -4.241 1.00 0.49 H new ATOM 0 HB2 LEU A 45 -2.241 1.152 -6.328 1.00 0.69 H new ATOM 0 HB3 LEU A 45 -3.622 2.052 -6.920 1.00 0.69 H new ATOM 0 HG LEU A 45 -3.467 3.378 -4.698 1.00 0.67 H new ATOM 0 HD11 LEU A 45 -1.218 3.627 -3.736 1.00 0.71 H new ATOM 0 HD12 LEU A 45 -1.881 1.994 -3.487 1.00 0.71 H new ATOM 0 HD13 LEU A 45 -0.646 2.272 -4.737 1.00 0.71 H new ATOM 0 HD21 LEU A 45 -1.732 4.885 -5.746 1.00 1.22 H new ATOM 0 HD22 LEU A 45 -1.256 3.549 -6.821 1.00 1.22 H new ATOM 0 HD23 LEU A 45 -2.878 4.268 -6.960 1.00 1.22 H new ATOM 681 N HIS A 46 -5.486 1.864 -3.477 1.00 0.39 N ATOM 682 CA HIS A 46 -6.638 2.525 -2.867 1.00 0.37 C ATOM 683 C HIS A 46 -6.257 3.790 -2.089 1.00 0.38 C ATOM 684 O HIS A 46 -5.135 3.957 -1.605 1.00 0.45 O ATOM 685 CB HIS A 46 -7.310 1.563 -1.875 1.00 0.46 C ATOM 686 CG HIS A 46 -8.105 0.409 -2.408 1.00 0.49 C ATOM 687 ND1 HIS A 46 -8.769 -0.488 -1.588 1.00 0.58 N ATOM 688 CD2 HIS A 46 -8.311 0.025 -3.702 1.00 0.50 C ATOM 689 CE1 HIS A 46 -9.357 -1.386 -2.376 1.00 0.63 C ATOM 690 NE2 HIS A 46 -9.097 -1.110 -3.666 1.00 0.60 N ATOM 0 H HIS A 46 -4.776 1.613 -2.789 1.00 0.39 H new ATOM 0 HA HIS A 46 -7.303 2.806 -3.683 1.00 0.37 H new ATOM 0 HB2 HIS A 46 -6.530 1.156 -1.231 1.00 0.46 H new ATOM 0 HB3 HIS A 46 -7.971 2.153 -1.241 1.00 0.46 H new ATOM 0 HD2 HIS A 46 -7.931 0.516 -4.586 1.00 0.50 H new ATOM 0 HE1 HIS A 46 -9.956 -2.215 -2.029 1.00 0.63 H new ATOM 0 HE2 HIS A 46 -9.422 -1.643 -4.473 1.00 0.60 H new ATOM 698 N GLU A 47 -7.261 4.640 -1.917 1.00 0.41 N ATOM 699 CA GLU A 47 -7.278 5.751 -0.982 1.00 0.40 C ATOM 700 C GLU A 47 -8.168 5.428 0.230 1.00 0.47 C ATOM 701 O GLU A 47 -8.713 4.326 0.348 1.00 0.81 O ATOM 702 CB GLU A 47 -7.610 7.044 -1.753 1.00 0.42 C ATOM 703 CG GLU A 47 -8.844 7.139 -2.663 1.00 0.56 C ATOM 704 CD GLU A 47 -10.184 7.238 -1.949 1.00 1.72 C ATOM 705 OE1 GLU A 47 -10.525 6.292 -1.213 1.00 3.32 O ATOM 706 OE2 GLU A 47 -10.945 8.191 -2.239 1.00 2.32 O ATOM 0 H GLU A 47 -8.126 4.568 -2.453 1.00 0.41 H new ATOM 0 HA GLU A 47 -6.298 5.922 -0.536 1.00 0.40 H new ATOM 0 HB2 GLU A 47 -7.699 7.840 -1.014 1.00 0.42 H new ATOM 0 HB3 GLU A 47 -6.742 7.277 -2.370 1.00 0.42 H new ATOM 0 HG2 GLU A 47 -8.731 8.011 -3.307 1.00 0.56 H new ATOM 0 HG3 GLU A 47 -8.863 6.263 -3.312 1.00 0.56 H new ATOM 713 N THR A 48 -8.274 6.369 1.169 1.00 0.54 N ATOM 714 CA THR A 48 -9.207 6.349 2.304 1.00 0.52 C ATOM 715 C THR A 48 -9.440 7.797 2.714 1.00 0.54 C ATOM 716 O THR A 48 -8.513 8.606 2.648 1.00 0.59 O ATOM 717 CB THR A 48 -8.679 5.480 3.453 1.00 0.54 C ATOM 718 OG1 THR A 48 -8.779 4.150 3.013 1.00 0.84 O ATOM 719 CG2 THR A 48 -9.456 5.585 4.763 1.00 0.66 C ATOM 0 H THR A 48 -7.688 7.204 1.162 1.00 0.54 H new ATOM 0 HA THR A 48 -10.155 5.892 2.022 1.00 0.52 H new ATOM 0 HB THR A 48 -7.668 5.821 3.676 1.00 0.54 H new ATOM 0 HG1 THR A 48 -9.111 4.135 2.091 1.00 0.84 H new ATOM 0 HG21 THR A 48 -9.002 4.932 5.509 1.00 0.66 H new ATOM 0 HG22 THR A 48 -9.432 6.615 5.119 1.00 0.66 H new ATOM 0 HG23 THR A 48 -10.490 5.283 4.598 1.00 0.66 H new ATOM 727 N PHE A 49 -10.674 8.129 3.089 1.00 0.60 N ATOM 728 CA PHE A 49 -11.132 9.512 3.254 1.00 0.63 C ATOM 729 C PHE A 49 -12.317 9.650 4.218 1.00 0.60 C ATOM 730 O PHE A 49 -12.908 8.674 4.687 1.00 0.59 O ATOM 731 CB PHE A 49 -11.475 10.115 1.875 1.00 0.68 C ATOM 732 CG PHE A 49 -12.653 9.474 1.155 1.00 0.65 C ATOM 733 CD1 PHE A 49 -12.488 8.262 0.461 1.00 1.72 C ATOM 734 CD2 PHE A 49 -13.913 10.103 1.149 1.00 2.04 C ATOM 735 CE1 PHE A 49 -13.568 7.669 -0.201 1.00 1.78 C ATOM 736 CE2 PHE A 49 -14.996 9.515 0.467 1.00 2.03 C ATOM 737 CZ PHE A 49 -14.827 8.292 -0.202 1.00 0.76 C ATOM 0 H PHE A 49 -11.396 7.437 3.290 1.00 0.60 H new ATOM 0 HA PHE A 49 -10.312 10.068 3.708 1.00 0.63 H new ATOM 0 HB2 PHE A 49 -11.684 11.177 2.004 1.00 0.68 H new ATOM 0 HB3 PHE A 49 -10.596 10.039 1.236 1.00 0.68 H new ATOM 0 HD1 PHE A 49 -11.519 7.785 0.439 1.00 1.72 H new ATOM 0 HD2 PHE A 49 -14.049 11.040 1.669 1.00 2.04 H new ATOM 0 HE1 PHE A 49 -13.433 6.728 -0.714 1.00 1.78 H new ATOM 0 HE2 PHE A 49 -15.958 10.006 0.459 1.00 2.03 H new ATOM 0 HZ PHE A 49 -15.660 7.833 -0.714 1.00 0.76 H new ATOM 747 N MET A 50 -12.699 10.904 4.478 1.00 0.67 N ATOM 748 CA MET A 50 -13.892 11.293 5.215 1.00 0.70 C ATOM 749 C MET A 50 -14.838 12.093 4.306 1.00 0.60 C ATOM 750 O MET A 50 -14.404 12.836 3.431 1.00 0.60 O ATOM 751 CB MET A 50 -13.459 12.081 6.460 1.00 0.90 C ATOM 752 CG MET A 50 -14.684 12.523 7.257 1.00 2.28 C ATOM 753 SD MET A 50 -14.367 13.060 8.954 1.00 2.82 S ATOM 754 CE MET A 50 -13.615 14.672 8.624 1.00 3.47 C ATOM 0 H MET A 50 -12.156 11.708 4.163 1.00 0.67 H new ATOM 0 HA MET A 50 -14.449 10.415 5.544 1.00 0.70 H new ATOM 0 HB2 MET A 50 -12.814 11.463 7.084 1.00 0.90 H new ATOM 0 HB3 MET A 50 -12.876 12.952 6.163 1.00 0.90 H new ATOM 0 HG2 MET A 50 -15.167 13.340 6.722 1.00 2.28 H new ATOM 0 HG3 MET A 50 -15.394 11.696 7.284 1.00 2.28 H new ATOM 0 HE1 MET A 50 -13.353 15.151 9.567 1.00 3.47 H new ATOM 0 HE2 MET A 50 -12.716 14.538 8.023 1.00 3.47 H new ATOM 0 HE3 MET A 50 -14.323 15.300 8.082 1.00 3.47 H new ATOM 764 N ARG A 51 -16.139 11.918 4.534 1.00 0.68 N ATOM 765 CA ARG A 51 -17.267 12.514 3.806 1.00 0.69 C ATOM 766 C ARG A 51 -18.455 12.735 4.754 1.00 0.78 C ATOM 767 O ARG A 51 -18.532 12.119 5.821 1.00 0.78 O ATOM 768 CB ARG A 51 -17.670 11.618 2.610 1.00 0.85 C ATOM 769 CG ARG A 51 -17.777 10.121 2.969 1.00 1.81 C ATOM 770 CD ARG A 51 -18.544 9.273 1.957 1.00 2.39 C ATOM 771 NE ARG A 51 -18.569 7.872 2.417 1.00 4.41 N ATOM 772 CZ ARG A 51 -19.475 6.938 2.160 1.00 5.74 C ATOM 773 NH1 ARG A 51 -20.508 7.149 1.368 1.00 5.48 N ATOM 774 NH2 ARG A 51 -19.340 5.758 2.726 1.00 7.66 N ATOM 0 H ARG A 51 -16.460 11.311 5.288 1.00 0.68 H new ATOM 0 HA ARG A 51 -16.960 13.484 3.414 1.00 0.69 H new ATOM 0 HB2 ARG A 51 -18.628 11.959 2.218 1.00 0.85 H new ATOM 0 HB3 ARG A 51 -16.938 11.740 1.812 1.00 0.85 H new ATOM 0 HG2 ARG A 51 -16.771 9.714 3.075 1.00 1.81 H new ATOM 0 HG3 ARG A 51 -18.262 10.029 3.941 1.00 1.81 H new ATOM 0 HD2 ARG A 51 -19.561 9.650 1.845 1.00 2.39 H new ATOM 0 HD3 ARG A 51 -18.071 9.338 0.977 1.00 2.39 H new ATOM 0 HE ARG A 51 -17.790 7.584 3.009 1.00 4.41 H new ATOM 0 HH11 ARG A 51 -20.634 8.059 0.926 1.00 5.48 H new ATOM 0 HH12 ARG A 51 -21.181 6.402 1.198 1.00 5.48 H new ATOM 0 HH21 ARG A 51 -18.551 5.578 3.347 1.00 7.66 H new ATOM 0 HH22 ARG A 51 -20.024 5.024 2.544 1.00 7.66 H new ATOM 788 N GLU A 52 -19.397 13.594 4.381 1.00 0.95 N ATOM 789 CA GLU A 52 -20.688 13.694 5.014 1.00 1.06 C ATOM 790 C GLU A 52 -21.680 12.770 4.301 1.00 1.24 C ATOM 791 O GLU A 52 -21.607 12.610 3.083 1.00 1.51 O ATOM 792 CB GLU A 52 -21.092 15.165 4.889 1.00 1.47 C ATOM 793 CG GLU A 52 -22.200 15.560 5.842 1.00 1.65 C ATOM 794 CD GLU A 52 -21.681 15.794 7.260 1.00 1.70 C ATOM 795 OE1 GLU A 52 -21.073 14.869 7.835 1.00 2.37 O ATOM 796 OE2 GLU A 52 -21.911 16.870 7.848 1.00 2.46 O ATOM 0 H GLU A 52 -19.272 14.251 3.611 1.00 0.95 H new ATOM 0 HA GLU A 52 -20.671 13.388 6.060 1.00 1.06 H new ATOM 0 HB2 GLU A 52 -20.220 15.792 5.075 1.00 1.47 H new ATOM 0 HB3 GLU A 52 -21.413 15.362 3.866 1.00 1.47 H new ATOM 0 HG2 GLU A 52 -22.684 16.467 5.479 1.00 1.65 H new ATOM 0 HG3 GLU A 52 -22.959 14.778 5.859 1.00 1.65 H new ATOM 803 N VAL A 53 -22.599 12.178 5.060 1.00 1.28 N ATOM 804 CA VAL A 53 -23.830 11.534 4.578 1.00 1.63 C ATOM 805 C VAL A 53 -24.942 11.966 5.543 1.00 1.61 C ATOM 806 O VAL A 53 -24.838 11.670 6.728 1.00 1.91 O ATOM 807 CB VAL A 53 -23.675 9.991 4.558 1.00 1.84 C ATOM 808 CG1 VAL A 53 -24.978 9.281 4.160 1.00 2.43 C ATOM 809 CG2 VAL A 53 -22.555 9.523 3.604 1.00 2.43 C ATOM 0 H VAL A 53 -22.507 12.129 6.075 1.00 1.28 H new ATOM 0 HA VAL A 53 -24.060 11.832 3.555 1.00 1.63 H new ATOM 0 HB VAL A 53 -23.412 9.719 5.580 1.00 1.84 H new ATOM 0 HG11 VAL A 53 -24.819 8.203 4.160 1.00 2.43 H new ATOM 0 HG12 VAL A 53 -25.762 9.533 4.874 1.00 2.43 H new ATOM 0 HG13 VAL A 53 -25.278 9.603 3.163 1.00 2.43 H new ATOM 0 HG21 VAL A 53 -22.488 8.435 3.627 1.00 2.43 H new ATOM 0 HG22 VAL A 53 -22.781 9.851 2.589 1.00 2.43 H new ATOM 0 HG23 VAL A 53 -21.604 9.952 3.921 1.00 2.43 H new ATOM 819 N GLU A 54 -25.953 12.719 5.091 1.00 1.77 N ATOM 820 CA GLU A 54 -27.073 13.225 5.913 1.00 1.84 C ATOM 821 C GLU A 54 -26.656 14.101 7.117 1.00 1.73 C ATOM 822 O GLU A 54 -27.240 14.010 8.202 1.00 1.84 O ATOM 823 CB GLU A 54 -27.998 12.064 6.341 1.00 2.00 C ATOM 824 CG GLU A 54 -28.490 11.201 5.173 1.00 2.58 C ATOM 825 CD GLU A 54 -28.970 12.081 4.027 1.00 4.08 C ATOM 826 OE1 GLU A 54 -30.104 12.588 4.149 1.00 5.04 O ATOM 827 OE2 GLU A 54 -28.150 12.304 3.107 1.00 5.41 O ATOM 0 H GLU A 54 -26.021 13.005 4.114 1.00 1.77 H new ATOM 0 HA GLU A 54 -27.627 13.906 5.267 1.00 1.84 H new ATOM 0 HB2 GLU A 54 -27.465 11.430 7.050 1.00 2.00 H new ATOM 0 HB3 GLU A 54 -28.861 12.474 6.866 1.00 2.00 H new ATOM 0 HG2 GLU A 54 -27.685 10.551 4.828 1.00 2.58 H new ATOM 0 HG3 GLU A 54 -29.301 10.554 5.507 1.00 2.58 H new ATOM 834 N GLY A 55 -25.592 14.903 6.989 1.00 1.62 N ATOM 835 CA GLY A 55 -25.007 15.661 8.113 1.00 1.61 C ATOM 836 C GLY A 55 -24.209 14.787 9.094 1.00 1.39 C ATOM 837 O GLY A 55 -23.754 15.254 10.139 1.00 1.50 O ATOM 0 H GLY A 55 -25.108 15.048 6.103 1.00 1.62 H new ATOM 0 HA2 GLY A 55 -24.353 16.437 7.716 1.00 1.61 H new ATOM 0 HA3 GLY A 55 -25.807 16.165 8.656 1.00 1.61 H new ATOM 841 N LYS A 56 -24.053 13.496 8.783 1.00 1.24 N ATOM 842 CA LYS A 56 -23.342 12.501 9.576 1.00 1.13 C ATOM 843 C LYS A 56 -21.988 12.257 8.909 1.00 0.95 C ATOM 844 O LYS A 56 -21.895 11.780 7.772 1.00 0.96 O ATOM 845 CB LYS A 56 -24.126 11.182 9.745 1.00 1.24 C ATOM 846 CG LYS A 56 -25.645 11.297 9.921 1.00 1.68 C ATOM 847 CD LYS A 56 -26.138 12.197 11.064 1.00 1.80 C ATOM 848 CE LYS A 56 -27.663 12.102 11.252 1.00 2.19 C ATOM 849 NZ LYS A 56 -28.414 12.411 10.007 1.00 2.75 N ATOM 0 H LYS A 56 -24.441 13.102 7.926 1.00 1.24 H new ATOM 0 HA LYS A 56 -23.214 12.886 10.588 1.00 1.13 H new ATOM 0 HB2 LYS A 56 -23.932 10.557 8.873 1.00 1.24 H new ATOM 0 HB3 LYS A 56 -23.723 10.656 10.610 1.00 1.24 H new ATOM 0 HG2 LYS A 56 -26.069 11.668 8.988 1.00 1.68 H new ATOM 0 HG3 LYS A 56 -26.047 10.296 10.078 1.00 1.68 H new ATOM 0 HD2 LYS A 56 -25.640 11.913 11.991 1.00 1.80 H new ATOM 0 HD3 LYS A 56 -25.861 13.231 10.857 1.00 1.80 H new ATOM 0 HE2 LYS A 56 -27.922 11.098 11.588 1.00 2.19 H new ATOM 0 HE3 LYS A 56 -27.972 12.791 12.038 1.00 2.19 H new ATOM 0 HZ1 LYS A 56 -29.342 12.811 10.252 1.00 2.75 H new ATOM 0 HZ2 LYS A 56 -27.879 13.100 9.441 1.00 2.75 H new ATOM 0 HZ3 LYS A 56 -28.547 11.539 9.456 1.00 2.75 H new ATOM 863 N LYS A 57 -20.927 12.613 9.619 1.00 0.98 N ATOM 864 CA LYS A 57 -19.553 12.483 9.149 1.00 0.95 C ATOM 865 C LYS A 57 -19.105 11.013 9.216 1.00 0.93 C ATOM 866 O LYS A 57 -19.110 10.399 10.279 1.00 1.08 O ATOM 867 CB LYS A 57 -18.648 13.494 9.873 1.00 1.19 C ATOM 868 CG LYS A 57 -18.814 13.619 11.402 1.00 1.73 C ATOM 869 CD LYS A 57 -19.241 15.024 11.882 1.00 2.28 C ATOM 870 CE LYS A 57 -20.699 15.438 11.580 1.00 2.95 C ATOM 871 NZ LYS A 57 -20.891 16.065 10.248 1.00 3.06 N ATOM 0 H LYS A 57 -20.997 13.008 10.557 1.00 0.98 H new ATOM 0 HA LYS A 57 -19.474 12.747 8.094 1.00 0.95 H new ATOM 0 HB2 LYS A 57 -17.611 13.228 9.666 1.00 1.19 H new ATOM 0 HB3 LYS A 57 -18.819 14.476 9.433 1.00 1.19 H new ATOM 0 HG2 LYS A 57 -19.555 12.893 11.736 1.00 1.73 H new ATOM 0 HG3 LYS A 57 -17.871 13.355 11.881 1.00 1.73 H new ATOM 0 HD2 LYS A 57 -19.086 15.079 12.960 1.00 2.28 H new ATOM 0 HD3 LYS A 57 -18.576 15.758 11.427 1.00 2.28 H new ATOM 0 HE2 LYS A 57 -21.337 14.557 11.649 1.00 2.95 H new ATOM 0 HE3 LYS A 57 -21.033 16.135 12.349 1.00 2.95 H new ATOM 0 HZ1 LYS A 57 -21.875 16.390 10.156 1.00 3.06 H new ATOM 0 HZ2 LYS A 57 -20.248 16.876 10.150 1.00 3.06 H new ATOM 0 HZ3 LYS A 57 -20.685 15.369 9.504 1.00 3.06 H new ATOM 885 N VAL A 58 -18.805 10.457 8.046 1.00 0.88 N ATOM 886 CA VAL A 58 -18.709 9.029 7.706 1.00 1.03 C ATOM 887 C VAL A 58 -17.487 8.847 6.798 1.00 0.97 C ATOM 888 O VAL A 58 -17.066 9.782 6.124 1.00 1.07 O ATOM 889 CB VAL A 58 -20.027 8.587 7.005 1.00 1.21 C ATOM 890 CG1 VAL A 58 -19.930 7.273 6.210 1.00 1.88 C ATOM 891 CG2 VAL A 58 -21.162 8.433 8.033 1.00 2.21 C ATOM 0 H VAL A 58 -18.604 11.041 7.235 1.00 0.88 H new ATOM 0 HA VAL A 58 -18.583 8.408 8.593 1.00 1.03 H new ATOM 0 HB VAL A 58 -20.232 9.384 6.290 1.00 1.21 H new ATOM 0 HG11 VAL A 58 -20.896 7.049 5.759 1.00 1.88 H new ATOM 0 HG12 VAL A 58 -19.179 7.376 5.427 1.00 1.88 H new ATOM 0 HG13 VAL A 58 -19.646 6.462 6.881 1.00 1.88 H new ATOM 0 HG21 VAL A 58 -22.075 8.124 7.524 1.00 2.21 H new ATOM 0 HG22 VAL A 58 -20.885 7.680 8.771 1.00 2.21 H new ATOM 0 HG23 VAL A 58 -21.331 9.386 8.534 1.00 2.21 H new ATOM 901 N MET A 59 -16.874 7.667 6.777 1.00 0.91 N ATOM 902 CA MET A 59 -15.650 7.420 6.000 1.00 0.77 C ATOM 903 C MET A 59 -15.901 6.681 4.682 1.00 0.70 C ATOM 904 O MET A 59 -17.027 6.292 4.352 1.00 0.90 O ATOM 905 CB MET A 59 -14.583 6.749 6.881 1.00 0.85 C ATOM 906 CG MET A 59 -14.160 7.696 8.015 1.00 1.03 C ATOM 907 SD MET A 59 -15.215 7.649 9.493 1.00 2.95 S ATOM 908 CE MET A 59 -15.495 9.419 9.753 1.00 3.96 C ATOM 0 H MET A 59 -17.206 6.853 7.295 1.00 0.91 H new ATOM 0 HA MET A 59 -15.260 8.389 5.689 1.00 0.77 H new ATOM 0 HB2 MET A 59 -14.976 5.822 7.299 1.00 0.85 H new ATOM 0 HB3 MET A 59 -13.716 6.484 6.276 1.00 0.85 H new ATOM 0 HG2 MET A 59 -13.139 7.453 8.309 1.00 1.03 H new ATOM 0 HG3 MET A 59 -14.146 8.716 7.630 1.00 1.03 H new ATOM 0 HE1 MET A 59 -15.616 9.616 10.818 1.00 3.96 H new ATOM 0 HE2 MET A 59 -14.641 9.982 9.375 1.00 3.96 H new ATOM 0 HE3 MET A 59 -16.396 9.727 9.222 1.00 3.96 H new ATOM 918 N GLY A 60 -14.846 6.554 3.880 1.00 0.56 N ATOM 919 CA GLY A 60 -14.852 5.844 2.607 1.00 0.58 C ATOM 920 C GLY A 60 -13.463 5.363 2.202 1.00 0.51 C ATOM 921 O GLY A 60 -12.459 5.792 2.760 1.00 0.50 O ATOM 0 H GLY A 60 -13.936 6.956 4.107 1.00 0.56 H new ATOM 0 HA2 GLY A 60 -15.524 4.989 2.675 1.00 0.58 H new ATOM 0 HA3 GLY A 60 -15.247 6.499 1.831 1.00 0.58 H new ATOM 925 N MET A 61 -13.443 4.485 1.206 1.00 0.57 N ATOM 926 CA MET A 61 -12.264 3.938 0.534 1.00 0.53 C ATOM 927 C MET A 61 -12.668 3.616 -0.897 1.00 0.62 C ATOM 928 O MET A 61 -13.775 3.131 -1.144 1.00 0.83 O ATOM 929 CB MET A 61 -11.789 2.697 1.303 1.00 0.66 C ATOM 930 CG MET A 61 -10.895 1.724 0.515 1.00 0.62 C ATOM 931 SD MET A 61 -10.635 0.073 1.244 1.00 0.77 S ATOM 932 CE MET A 61 -10.753 0.437 3.013 1.00 1.41 C ATOM 0 H MET A 61 -14.308 4.109 0.818 1.00 0.57 H new ATOM 0 HA MET A 61 -11.433 4.643 0.513 1.00 0.53 H new ATOM 0 HB2 MET A 61 -11.244 3.027 2.187 1.00 0.66 H new ATOM 0 HB3 MET A 61 -12.666 2.152 1.654 1.00 0.66 H new ATOM 0 HG2 MET A 61 -11.327 1.593 -0.477 1.00 0.62 H new ATOM 0 HG3 MET A 61 -9.920 2.193 0.379 1.00 0.62 H new ATOM 0 HE1 MET A 61 -10.407 -0.423 3.585 1.00 1.41 H new ATOM 0 HE2 MET A 61 -10.134 1.303 3.248 1.00 1.41 H new ATOM 0 HE3 MET A 61 -11.790 0.651 3.272 1.00 1.41 H new ATOM 942 N ARG A 62 -11.772 3.908 -1.829 1.00 0.52 N ATOM 943 CA ARG A 62 -11.968 3.853 -3.276 1.00 0.53 C ATOM 944 C ARG A 62 -10.617 3.536 -3.945 1.00 0.45 C ATOM 945 O ARG A 62 -9.573 3.832 -3.359 1.00 0.42 O ATOM 946 CB ARG A 62 -12.495 5.225 -3.739 1.00 0.65 C ATOM 947 CG ARG A 62 -13.970 5.501 -3.417 1.00 1.86 C ATOM 948 CD ARG A 62 -14.420 6.856 -3.992 1.00 1.95 C ATOM 949 NE ARG A 62 -13.540 7.965 -3.567 1.00 2.65 N ATOM 950 CZ ARG A 62 -13.435 9.172 -4.103 1.00 3.51 C ATOM 951 NH1 ARG A 62 -14.253 9.608 -5.044 1.00 3.72 N ATOM 952 NH2 ARG A 62 -12.455 9.938 -3.690 1.00 4.37 N ATOM 0 H ARG A 62 -10.829 4.209 -1.582 1.00 0.52 H new ATOM 0 HA ARG A 62 -12.685 3.079 -3.550 1.00 0.53 H new ATOM 0 HB2 ARG A 62 -11.887 6.004 -3.279 1.00 0.65 H new ATOM 0 HB3 ARG A 62 -12.354 5.306 -4.817 1.00 0.65 H new ATOM 0 HG2 ARG A 62 -14.590 4.704 -3.828 1.00 1.86 H new ATOM 0 HG3 ARG A 62 -14.117 5.494 -2.337 1.00 1.86 H new ATOM 0 HD2 ARG A 62 -14.431 6.801 -5.081 1.00 1.95 H new ATOM 0 HD3 ARG A 62 -15.441 7.063 -3.673 1.00 1.95 H new ATOM 0 HE ARG A 62 -12.941 7.778 -2.763 1.00 2.65 H new ATOM 0 HH11 ARG A 62 -15.003 9.007 -5.386 1.00 3.72 H new ATOM 0 HH12 ARG A 62 -14.135 10.545 -5.428 1.00 3.72 H new ATOM 0 HH21 ARG A 62 -11.806 9.598 -2.980 1.00 4.37 H new ATOM 0 HH22 ARG A 62 -12.341 10.874 -4.079 1.00 4.37 H new ATOM 966 N PRO A 63 -10.594 2.933 -5.148 1.00 0.46 N ATOM 967 CA PRO A 63 -9.357 2.700 -5.878 1.00 0.45 C ATOM 968 C PRO A 63 -8.863 3.984 -6.556 1.00 0.44 C ATOM 969 O PRO A 63 -9.640 4.908 -6.778 1.00 0.47 O ATOM 970 CB PRO A 63 -9.686 1.599 -6.882 1.00 0.50 C ATOM 971 CG PRO A 63 -11.149 1.888 -7.219 1.00 0.52 C ATOM 972 CD PRO A 63 -11.722 2.384 -5.888 1.00 0.50 C ATOM 0 HA PRO A 63 -8.541 2.397 -5.222 1.00 0.45 H new ATOM 0 HB2 PRO A 63 -9.048 1.650 -7.764 1.00 0.50 H new ATOM 0 HB3 PRO A 63 -9.557 0.606 -6.452 1.00 0.50 H new ATOM 0 HG2 PRO A 63 -11.241 2.640 -8.002 1.00 0.52 H new ATOM 0 HG3 PRO A 63 -11.665 0.995 -7.572 1.00 0.52 H new ATOM 0 HD2 PRO A 63 -12.488 3.142 -6.051 1.00 0.50 H new ATOM 0 HD3 PRO A 63 -12.191 1.569 -5.337 1.00 0.50 H new ATOM 980 N VAL A 64 -7.570 4.023 -6.892 1.00 0.42 N ATOM 981 CA VAL A 64 -6.865 5.181 -7.484 1.00 0.40 C ATOM 982 C VAL A 64 -5.775 4.716 -8.474 1.00 0.39 C ATOM 983 O VAL A 64 -5.326 3.574 -8.371 1.00 0.39 O ATOM 984 CB VAL A 64 -6.247 6.110 -6.407 1.00 0.42 C ATOM 985 CG1 VAL A 64 -7.237 7.212 -6.002 1.00 0.60 C ATOM 986 CG2 VAL A 64 -5.760 5.367 -5.158 1.00 0.94 C ATOM 0 H VAL A 64 -6.955 3.221 -6.757 1.00 0.42 H new ATOM 0 HA VAL A 64 -7.614 5.759 -8.025 1.00 0.40 H new ATOM 0 HB VAL A 64 -5.367 6.554 -6.873 1.00 0.42 H new ATOM 0 HG11 VAL A 64 -6.781 7.851 -5.246 1.00 0.60 H new ATOM 0 HG12 VAL A 64 -7.493 7.811 -6.876 1.00 0.60 H new ATOM 0 HG13 VAL A 64 -8.141 6.758 -5.596 1.00 0.60 H new ATOM 0 HG21 VAL A 64 -5.341 6.082 -4.450 1.00 0.94 H new ATOM 0 HG22 VAL A 64 -6.598 4.846 -4.695 1.00 0.94 H new ATOM 0 HG23 VAL A 64 -4.995 4.644 -5.440 1.00 0.94 H new ATOM 996 N PRO A 65 -5.366 5.553 -9.455 1.00 0.40 N ATOM 997 CA PRO A 65 -4.606 5.112 -10.626 1.00 0.41 C ATOM 998 C PRO A 65 -3.096 5.031 -10.396 1.00 0.36 C ATOM 999 O PRO A 65 -2.435 4.258 -11.083 1.00 0.36 O ATOM 1000 CB PRO A 65 -4.949 6.131 -11.716 1.00 0.46 C ATOM 1001 CG PRO A 65 -5.132 7.428 -10.930 1.00 0.47 C ATOM 1002 CD PRO A 65 -5.758 6.949 -9.621 1.00 0.44 C ATOM 0 HA PRO A 65 -4.879 4.091 -10.892 1.00 0.41 H new ATOM 0 HB2 PRO A 65 -4.152 6.216 -12.454 1.00 0.46 H new ATOM 0 HB3 PRO A 65 -5.855 5.855 -12.256 1.00 0.46 H new ATOM 0 HG2 PRO A 65 -4.182 7.936 -10.762 1.00 0.47 H new ATOM 0 HG3 PRO A 65 -5.780 8.130 -11.454 1.00 0.47 H new ATOM 0 HD2 PRO A 65 -5.409 7.551 -8.782 1.00 0.44 H new ATOM 0 HD3 PRO A 65 -6.843 7.045 -9.653 1.00 0.44 H new ATOM 1010 N PHE A 66 -2.557 5.821 -9.459 1.00 0.34 N ATOM 1011 CA PHE A 66 -1.132 5.896 -9.108 1.00 0.32 C ATOM 1012 C PHE A 66 -0.898 6.816 -7.902 1.00 0.33 C ATOM 1013 O PHE A 66 -1.750 7.635 -7.558 1.00 0.38 O ATOM 1014 CB PHE A 66 -0.270 6.350 -10.303 1.00 0.34 C ATOM 1015 CG PHE A 66 -0.536 7.758 -10.783 1.00 0.38 C ATOM 1016 CD1 PHE A 66 -1.535 8.007 -11.740 1.00 1.64 C ATOM 1017 CD2 PHE A 66 0.202 8.827 -10.250 1.00 1.66 C ATOM 1018 CE1 PHE A 66 -1.793 9.328 -12.156 1.00 1.64 C ATOM 1019 CE2 PHE A 66 -0.062 10.145 -10.644 1.00 1.70 C ATOM 1020 CZ PHE A 66 -1.056 10.396 -11.605 1.00 0.47 C ATOM 0 H PHE A 66 -3.128 6.454 -8.899 1.00 0.34 H new ATOM 0 HA PHE A 66 -0.823 4.887 -8.835 1.00 0.32 H new ATOM 0 HB2 PHE A 66 0.781 6.269 -10.025 1.00 0.34 H new ATOM 0 HB3 PHE A 66 -0.434 5.662 -11.132 1.00 0.34 H new ATOM 0 HD1 PHE A 66 -2.103 7.188 -12.155 1.00 1.64 H new ATOM 0 HD2 PHE A 66 0.981 8.631 -9.529 1.00 1.66 H new ATOM 0 HE1 PHE A 66 -2.555 9.522 -12.896 1.00 1.64 H new ATOM 0 HE2 PHE A 66 0.495 10.963 -10.212 1.00 1.70 H new ATOM 0 HZ PHE A 66 -1.256 11.409 -11.922 1.00 0.47 H new ATOM 1030 N LEU A 67 0.296 6.710 -7.310 1.00 0.34 N ATOM 1031 CA LEU A 67 0.922 7.753 -6.487 1.00 0.39 C ATOM 1032 C LEU A 67 2.150 8.307 -7.219 1.00 0.44 C ATOM 1033 O LEU A 67 2.716 7.652 -8.095 1.00 0.46 O ATOM 1034 CB LEU A 67 1.368 7.215 -5.110 1.00 0.42 C ATOM 1035 CG LEU A 67 0.339 6.412 -4.296 1.00 0.44 C ATOM 1036 CD1 LEU A 67 0.920 6.096 -2.915 1.00 0.52 C ATOM 1037 CD2 LEU A 67 -0.976 7.168 -4.102 1.00 0.49 C ATOM 0 H LEU A 67 0.871 5.872 -7.392 1.00 0.34 H new ATOM 0 HA LEU A 67 0.179 8.534 -6.323 1.00 0.39 H new ATOM 0 HB2 LEU A 67 2.243 6.584 -5.263 1.00 0.42 H new ATOM 0 HB3 LEU A 67 1.688 8.063 -4.505 1.00 0.42 H new ATOM 0 HG LEU A 67 0.127 5.502 -4.857 1.00 0.44 H new ATOM 0 HD11 LEU A 67 0.193 5.527 -2.336 1.00 0.52 H new ATOM 0 HD12 LEU A 67 1.832 5.510 -3.029 1.00 0.52 H new ATOM 0 HD13 LEU A 67 1.150 7.026 -2.395 1.00 0.52 H new ATOM 0 HD21 LEU A 67 -1.666 6.555 -3.521 1.00 0.49 H new ATOM 0 HD22 LEU A 67 -0.785 8.101 -3.572 1.00 0.49 H new ATOM 0 HD23 LEU A 67 -1.417 7.387 -5.075 1.00 0.49 H new ATOM 1049 N GLU A 68 2.599 9.495 -6.832 1.00 0.55 N ATOM 1050 CA GLU A 68 3.775 10.157 -7.386 1.00 0.66 C ATOM 1051 C GLU A 68 4.592 10.795 -6.269 1.00 0.70 C ATOM 1052 O GLU A 68 4.024 11.227 -5.268 1.00 0.82 O ATOM 1053 CB GLU A 68 3.335 11.195 -8.423 1.00 1.05 C ATOM 1054 CG GLU A 68 4.493 12.081 -8.920 1.00 1.03 C ATOM 1055 CD GLU A 68 4.256 12.633 -10.330 1.00 0.99 C ATOM 1056 OE1 GLU A 68 3.211 12.334 -10.946 1.00 1.94 O ATOM 1057 OE2 GLU A 68 5.194 13.216 -10.911 1.00 1.67 O ATOM 0 H GLU A 68 2.141 10.041 -6.102 1.00 0.55 H new ATOM 0 HA GLU A 68 4.411 9.424 -7.883 1.00 0.66 H new ATOM 0 HB2 GLU A 68 2.887 10.682 -9.274 1.00 1.05 H new ATOM 0 HB3 GLU A 68 2.561 11.828 -7.989 1.00 1.05 H new ATOM 0 HG2 GLU A 68 4.631 12.912 -8.228 1.00 1.03 H new ATOM 0 HG3 GLU A 68 5.417 11.502 -8.912 1.00 1.03 H new ATOM 1064 N VAL A 69 5.914 10.857 -6.460 1.00 0.73 N ATOM 1065 CA VAL A 69 6.834 11.486 -5.514 1.00 0.85 C ATOM 1066 C VAL A 69 7.929 12.286 -6.232 1.00 0.88 C ATOM 1067 O VAL A 69 8.599 11.726 -7.105 1.00 0.83 O ATOM 1068 CB VAL A 69 7.488 10.433 -4.573 1.00 0.91 C ATOM 1069 CG1 VAL A 69 8.251 11.076 -3.402 1.00 1.03 C ATOM 1070 CG2 VAL A 69 6.465 9.453 -3.980 1.00 0.96 C ATOM 0 H VAL A 69 6.376 10.469 -7.282 1.00 0.73 H new ATOM 0 HA VAL A 69 6.240 12.175 -4.913 1.00 0.85 H new ATOM 0 HB VAL A 69 8.185 9.894 -5.214 1.00 0.91 H new ATOM 0 HG11 VAL A 69 8.686 10.295 -2.779 1.00 1.03 H new ATOM 0 HG12 VAL A 69 9.044 11.714 -3.791 1.00 1.03 H new ATOM 0 HG13 VAL A 69 7.564 11.675 -2.805 1.00 1.03 H new ATOM 0 HG21 VAL A 69 6.976 8.741 -3.332 1.00 0.96 H new ATOM 0 HG22 VAL A 69 5.726 10.005 -3.400 1.00 0.96 H new ATOM 0 HG23 VAL A 69 5.966 8.916 -4.786 1.00 0.96 H new ATOM 1080 N PRO A 70 8.159 13.563 -5.862 1.00 1.02 N ATOM 1081 CA PRO A 70 9.239 14.373 -6.416 1.00 1.06 C ATOM 1082 C PRO A 70 10.614 13.844 -5.962 1.00 1.03 C ATOM 1083 O PRO A 70 10.689 13.089 -4.991 1.00 1.04 O ATOM 1084 CB PRO A 70 8.979 15.797 -5.910 1.00 1.19 C ATOM 1085 CG PRO A 70 8.281 15.568 -4.574 1.00 1.21 C ATOM 1086 CD PRO A 70 7.438 14.324 -4.848 1.00 1.12 C ATOM 0 HA PRO A 70 9.258 14.340 -7.505 1.00 1.06 H new ATOM 0 HB2 PRO A 70 9.906 16.357 -5.789 1.00 1.19 H new ATOM 0 HB3 PRO A 70 8.353 16.362 -6.600 1.00 1.19 H new ATOM 0 HG2 PRO A 70 8.995 15.404 -3.767 1.00 1.21 H new ATOM 0 HG3 PRO A 70 7.665 16.420 -4.287 1.00 1.21 H new ATOM 0 HD2 PRO A 70 7.305 13.736 -3.940 1.00 1.12 H new ATOM 0 HD3 PRO A 70 6.443 14.597 -5.200 1.00 1.12 H new ATOM 1094 N PRO A 71 11.710 14.232 -6.636 1.00 1.03 N ATOM 1095 CA PRO A 71 13.060 13.828 -6.261 1.00 1.00 C ATOM 1096 C PRO A 71 13.437 14.306 -4.855 1.00 1.10 C ATOM 1097 O PRO A 71 13.107 15.426 -4.468 1.00 1.25 O ATOM 1098 CB PRO A 71 13.968 14.389 -7.349 1.00 1.03 C ATOM 1099 CG PRO A 71 13.170 15.508 -8.010 1.00 1.12 C ATOM 1100 CD PRO A 71 11.726 15.059 -7.832 1.00 1.09 C ATOM 0 HA PRO A 71 13.155 12.744 -6.201 1.00 1.00 H new ATOM 0 HB2 PRO A 71 14.899 14.768 -6.927 1.00 1.03 H new ATOM 0 HB3 PRO A 71 14.236 13.619 -8.072 1.00 1.03 H new ATOM 0 HG2 PRO A 71 13.354 16.470 -7.532 1.00 1.12 H new ATOM 0 HG3 PRO A 71 13.430 15.620 -9.063 1.00 1.12 H new ATOM 0 HD2 PRO A 71 11.061 15.916 -7.723 1.00 1.09 H new ATOM 0 HD3 PRO A 71 11.382 14.497 -8.700 1.00 1.09 H new ATOM 1108 N LYS A 72 14.109 13.432 -4.089 1.00 1.07 N ATOM 1109 CA LYS A 72 14.637 13.657 -2.721 1.00 1.23 C ATOM 1110 C LYS A 72 13.566 13.868 -1.636 1.00 1.42 C ATOM 1111 O LYS A 72 13.878 14.081 -0.469 1.00 1.67 O ATOM 1112 CB LYS A 72 15.702 14.762 -2.744 1.00 1.35 C ATOM 1113 CG LYS A 72 17.074 14.277 -3.224 1.00 1.27 C ATOM 1114 CD LYS A 72 17.107 13.412 -4.495 1.00 1.56 C ATOM 1115 CE LYS A 72 18.503 12.947 -4.913 1.00 1.58 C ATOM 1116 NZ LYS A 72 19.374 14.065 -5.340 1.00 2.11 N ATOM 0 H LYS A 72 14.314 12.490 -4.422 1.00 1.07 H new ATOM 0 HA LYS A 72 15.110 12.724 -2.414 1.00 1.23 H new ATOM 0 HB2 LYS A 72 15.363 15.569 -3.393 1.00 1.35 H new ATOM 0 HB3 LYS A 72 15.803 15.180 -1.742 1.00 1.35 H new ATOM 0 HG2 LYS A 72 17.701 15.152 -3.394 1.00 1.27 H new ATOM 0 HG3 LYS A 72 17.533 13.708 -2.416 1.00 1.27 H new ATOM 0 HD2 LYS A 72 16.478 12.536 -4.339 1.00 1.56 H new ATOM 0 HD3 LYS A 72 16.666 13.978 -5.315 1.00 1.56 H new ATOM 0 HE2 LYS A 72 18.972 12.424 -4.079 1.00 1.58 H new ATOM 0 HE3 LYS A 72 18.413 12.230 -5.729 1.00 1.58 H new ATOM 0 HZ1 LYS A 72 20.192 13.689 -5.860 1.00 2.11 H new ATOM 0 HZ2 LYS A 72 18.837 14.707 -5.957 1.00 2.11 H new ATOM 0 HZ3 LYS A 72 19.705 14.586 -4.503 1.00 2.11 H new ATOM 1130 N GLY A 73 12.303 13.754 -2.035 1.00 1.39 N ATOM 1131 CA GLY A 73 11.120 13.693 -1.163 1.00 1.47 C ATOM 1132 C GLY A 73 10.733 12.261 -0.765 1.00 1.41 C ATOM 1133 O GLY A 73 11.219 11.293 -1.354 1.00 1.34 O ATOM 0 H GLY A 73 12.058 13.698 -3.023 1.00 1.39 H new ATOM 0 HA2 GLY A 73 11.311 14.274 -0.261 1.00 1.47 H new ATOM 0 HA3 GLY A 73 10.278 14.162 -1.672 1.00 1.47 H new ATOM 1137 N ARG A 74 9.804 12.130 0.192 1.00 1.52 N ATOM 1138 CA ARG A 74 9.127 10.862 0.527 1.00 1.49 C ATOM 1139 C ARG A 74 7.605 11.025 0.634 1.00 1.66 C ATOM 1140 O ARG A 74 7.112 12.121 0.890 1.00 2.05 O ATOM 1141 CB ARG A 74 9.709 10.211 1.802 1.00 1.63 C ATOM 1142 CG ARG A 74 9.500 10.967 3.129 1.00 1.90 C ATOM 1143 CD ARG A 74 9.496 10.030 4.336 1.00 1.86 C ATOM 1144 NE ARG A 74 10.715 9.218 4.454 1.00 2.38 N ATOM 1145 CZ ARG A 74 10.877 8.121 5.187 1.00 2.96 C ATOM 1146 NH1 ARG A 74 9.970 7.615 5.994 1.00 3.03 N ATOM 1147 NH2 ARG A 74 12.013 7.474 5.099 1.00 4.54 N ATOM 0 H ARG A 74 9.494 12.913 0.767 1.00 1.52 H new ATOM 0 HA ARG A 74 9.322 10.185 -0.304 1.00 1.49 H new ATOM 0 HB2 ARG A 74 9.272 9.218 1.905 1.00 1.63 H new ATOM 0 HB3 ARG A 74 10.780 10.075 1.654 1.00 1.63 H new ATOM 0 HG2 ARG A 74 10.290 11.709 3.250 1.00 1.90 H new ATOM 0 HG3 ARG A 74 8.556 11.510 3.090 1.00 1.90 H new ATOM 0 HD2 ARG A 74 9.374 10.621 5.244 1.00 1.86 H new ATOM 0 HD3 ARG A 74 8.633 9.367 4.268 1.00 1.86 H new ATOM 0 HE ARG A 74 11.523 9.530 3.916 1.00 2.38 H new ATOM 0 HH11 ARG A 74 9.063 8.071 6.091 1.00 3.03 H new ATOM 0 HH12 ARG A 74 10.174 6.767 6.523 1.00 3.03 H new ATOM 0 HH21 ARG A 74 12.747 7.815 4.479 1.00 4.54 H new ATOM 0 HH22 ARG A 74 12.163 6.629 5.651 1.00 4.54 H new ATOM 1161 N VAL A 75 6.877 9.918 0.463 1.00 1.63 N ATOM 1162 CA VAL A 75 5.413 9.760 0.601 1.00 2.06 C ATOM 1163 C VAL A 75 5.153 8.367 1.169 1.00 1.61 C ATOM 1164 O VAL A 75 5.843 7.421 0.806 1.00 1.55 O ATOM 1165 CB VAL A 75 4.666 9.891 -0.752 1.00 2.77 C ATOM 1166 CG1 VAL A 75 3.170 9.523 -0.667 1.00 3.28 C ATOM 1167 CG2 VAL A 75 4.750 11.334 -1.279 1.00 3.38 C ATOM 0 H VAL A 75 7.323 9.038 0.205 1.00 1.63 H new ATOM 0 HA VAL A 75 5.042 10.551 1.252 1.00 2.06 H new ATOM 0 HB VAL A 75 5.162 9.188 -1.421 1.00 2.77 H new ATOM 0 HG11 VAL A 75 2.711 9.637 -1.649 1.00 3.28 H new ATOM 0 HG12 VAL A 75 3.068 8.489 -0.337 1.00 3.28 H new ATOM 0 HG13 VAL A 75 2.673 10.182 0.045 1.00 3.28 H new ATOM 0 HG21 VAL A 75 4.220 11.406 -2.229 1.00 3.38 H new ATOM 0 HG22 VAL A 75 4.295 12.012 -0.557 1.00 3.38 H new ATOM 0 HG23 VAL A 75 5.795 11.608 -1.425 1.00 3.38 H new ATOM 1177 N GLU A 76 4.184 8.226 2.072 1.00 1.52 N ATOM 1178 CA GLU A 76 4.002 6.988 2.825 1.00 1.08 C ATOM 1179 C GLU A 76 2.528 6.581 2.854 1.00 0.98 C ATOM 1180 O GLU A 76 1.644 7.395 3.151 1.00 1.29 O ATOM 1181 CB GLU A 76 4.599 7.153 4.228 1.00 1.30 C ATOM 1182 CG GLU A 76 6.053 7.641 4.144 1.00 1.88 C ATOM 1183 CD GLU A 76 6.805 7.476 5.451 1.00 2.62 C ATOM 1184 OE1 GLU A 76 7.010 6.311 5.842 1.00 3.97 O ATOM 1185 OE2 GLU A 76 7.276 8.500 5.988 1.00 3.22 O ATOM 0 H GLU A 76 3.511 8.958 2.300 1.00 1.52 H new ATOM 0 HA GLU A 76 4.533 6.174 2.331 1.00 1.08 H new ATOM 0 HB2 GLU A 76 4.004 7.864 4.801 1.00 1.30 H new ATOM 0 HB3 GLU A 76 4.559 6.202 4.760 1.00 1.30 H new ATOM 0 HG2 GLU A 76 6.572 7.090 3.360 1.00 1.88 H new ATOM 0 HG3 GLU A 76 6.063 8.692 3.855 1.00 1.88 H new ATOM 1192 N LEU A 77 2.278 5.314 2.513 1.00 0.73 N ATOM 1193 CA LEU A 77 0.953 4.725 2.384 1.00 0.69 C ATOM 1194 C LEU A 77 0.366 4.458 3.780 1.00 1.04 C ATOM 1195 O LEU A 77 0.459 3.366 4.325 1.00 2.11 O ATOM 1196 CB LEU A 77 1.014 3.480 1.467 1.00 0.59 C ATOM 1197 CG LEU A 77 1.193 3.801 -0.036 1.00 0.72 C ATOM 1198 CD1 LEU A 77 2.637 3.591 -0.518 1.00 0.68 C ATOM 1199 CD2 LEU A 77 0.276 2.916 -0.895 1.00 1.06 C ATOM 0 H LEU A 77 3.025 4.649 2.313 1.00 0.73 H new ATOM 0 HA LEU A 77 0.267 5.418 1.896 1.00 0.69 H new ATOM 0 HB2 LEU A 77 1.839 2.845 1.791 1.00 0.59 H new ATOM 0 HB3 LEU A 77 0.098 2.903 1.596 1.00 0.59 H new ATOM 0 HG LEU A 77 0.933 4.853 -0.149 1.00 0.72 H new ATOM 0 HD11 LEU A 77 2.705 3.831 -1.579 1.00 0.68 H new ATOM 0 HD12 LEU A 77 3.307 4.242 0.045 1.00 0.68 H new ATOM 0 HD13 LEU A 77 2.925 2.551 -0.362 1.00 0.68 H new ATOM 0 HD21 LEU A 77 0.418 3.159 -1.948 1.00 1.06 H new ATOM 0 HD22 LEU A 77 0.522 1.867 -0.728 1.00 1.06 H new ATOM 0 HD23 LEU A 77 -0.763 3.093 -0.619 1.00 1.06 H new ATOM 1211 N LYS A 78 -0.169 5.517 4.384 1.00 0.90 N ATOM 1212 CA LYS A 78 -0.734 5.559 5.733 1.00 1.03 C ATOM 1213 C LYS A 78 -2.043 4.741 5.904 1.00 0.92 C ATOM 1214 O LYS A 78 -2.811 4.615 4.952 1.00 0.89 O ATOM 1215 CB LYS A 78 -0.927 7.048 6.115 1.00 1.29 C ATOM 1216 CG LYS A 78 -1.923 7.780 5.192 1.00 1.33 C ATOM 1217 CD LYS A 78 -2.236 9.219 5.624 1.00 2.26 C ATOM 1218 CE LYS A 78 -1.027 10.154 5.508 1.00 2.13 C ATOM 1219 NZ LYS A 78 -1.408 11.558 5.807 1.00 3.76 N ATOM 0 H LYS A 78 -0.223 6.423 3.918 1.00 0.90 H new ATOM 0 HA LYS A 78 -0.035 5.071 6.413 1.00 1.03 H new ATOM 0 HB2 LYS A 78 -1.280 7.111 7.144 1.00 1.29 H new ATOM 0 HB3 LYS A 78 0.037 7.556 6.077 1.00 1.29 H new ATOM 0 HG2 LYS A 78 -1.520 7.796 4.180 1.00 1.33 H new ATOM 0 HG3 LYS A 78 -2.853 7.212 5.156 1.00 1.33 H new ATOM 0 HD2 LYS A 78 -3.049 9.608 5.012 1.00 2.26 H new ATOM 0 HD3 LYS A 78 -2.588 9.215 6.656 1.00 2.26 H new ATOM 0 HE2 LYS A 78 -0.246 9.831 6.196 1.00 2.13 H new ATOM 0 HE3 LYS A 78 -0.611 10.093 4.502 1.00 2.13 H new ATOM 0 HZ1 LYS A 78 -0.572 12.170 5.721 1.00 3.76 H new ATOM 0 HZ2 LYS A 78 -2.137 11.871 5.134 1.00 3.76 H new ATOM 0 HZ3 LYS A 78 -1.783 11.617 6.775 1.00 3.76 H new ATOM 1233 N PRO A 79 -2.375 4.294 7.136 1.00 1.18 N ATOM 1234 CA PRO A 79 -3.667 3.677 7.442 1.00 1.39 C ATOM 1235 C PRO A 79 -4.840 4.635 7.207 1.00 1.32 C ATOM 1236 O PRO A 79 -5.818 4.248 6.578 1.00 2.25 O ATOM 1237 CB PRO A 79 -3.573 3.201 8.896 1.00 1.80 C ATOM 1238 CG PRO A 79 -2.523 4.132 9.503 1.00 1.77 C ATOM 1239 CD PRO A 79 -1.553 4.338 8.340 1.00 1.54 C ATOM 0 HA PRO A 79 -3.870 2.839 6.775 1.00 1.39 H new ATOM 0 HB2 PRO A 79 -4.531 3.285 9.410 1.00 1.80 H new ATOM 0 HB3 PRO A 79 -3.269 2.156 8.958 1.00 1.80 H new ATOM 0 HG2 PRO A 79 -2.960 5.073 9.839 1.00 1.77 H new ATOM 0 HG3 PRO A 79 -2.032 3.682 10.366 1.00 1.77 H new ATOM 0 HD2 PRO A 79 -1.034 5.292 8.426 1.00 1.54 H new ATOM 0 HD3 PRO A 79 -0.790 3.560 8.323 1.00 1.54 H new ATOM 1247 N GLY A 80 -4.733 5.895 7.645 1.00 0.97 N ATOM 1248 CA GLY A 80 -5.736 6.932 7.372 1.00 1.17 C ATOM 1249 C GLY A 80 -5.539 7.589 6.004 1.00 1.23 C ATOM 1250 O GLY A 80 -5.276 8.790 5.949 1.00 2.22 O ATOM 0 H GLY A 80 -3.945 6.226 8.201 1.00 0.97 H new ATOM 0 HA2 GLY A 80 -6.732 6.492 7.421 1.00 1.17 H new ATOM 0 HA3 GLY A 80 -5.686 7.695 8.149 1.00 1.17 H new ATOM 1254 N GLY A 81 -5.608 6.808 4.920 1.00 0.79 N ATOM 1255 CA GLY A 81 -5.491 7.268 3.531 1.00 0.68 C ATOM 1256 C GLY A 81 -4.949 6.219 2.570 1.00 0.70 C ATOM 1257 O GLY A 81 -5.521 5.138 2.442 1.00 1.51 O ATOM 0 H GLY A 81 -5.752 5.801 4.988 1.00 0.79 H new ATOM 0 HA2 GLY A 81 -6.472 7.591 3.183 1.00 0.68 H new ATOM 0 HA3 GLY A 81 -4.840 8.141 3.503 1.00 0.68 H new ATOM 1261 N TYR A 82 -3.891 6.547 1.820 1.00 0.72 N ATOM 1262 CA TYR A 82 -3.481 5.711 0.686 1.00 0.69 C ATOM 1263 C TYR A 82 -2.840 4.407 1.138 1.00 0.76 C ATOM 1264 O TYR A 82 -2.006 4.390 2.035 1.00 0.95 O ATOM 1265 CB TYR A 82 -2.476 6.429 -0.211 1.00 0.75 C ATOM 1266 CG TYR A 82 -3.030 7.611 -0.964 1.00 0.72 C ATOM 1267 CD1 TYR A 82 -3.981 7.383 -1.971 1.00 1.75 C ATOM 1268 CD2 TYR A 82 -2.577 8.920 -0.703 1.00 1.79 C ATOM 1269 CE1 TYR A 82 -4.466 8.454 -2.737 1.00 1.84 C ATOM 1270 CE2 TYR A 82 -3.069 10.001 -1.463 1.00 1.75 C ATOM 1271 CZ TYR A 82 -4.023 9.768 -2.482 1.00 0.82 C ATOM 1272 OH TYR A 82 -4.520 10.794 -3.222 1.00 0.92 O ATOM 0 H TYR A 82 -3.311 7.372 1.974 1.00 0.72 H new ATOM 0 HA TYR A 82 -4.397 5.501 0.134 1.00 0.69 H new ATOM 0 HB2 TYR A 82 -1.640 6.766 0.402 1.00 0.75 H new ATOM 0 HB3 TYR A 82 -2.076 5.714 -0.930 1.00 0.75 H new ATOM 0 HD1 TYR A 82 -4.340 6.381 -2.157 1.00 1.75 H new ATOM 0 HD2 TYR A 82 -1.853 9.095 0.079 1.00 1.79 H new ATOM 0 HE1 TYR A 82 -5.181 8.271 -3.525 1.00 1.84 H new ATOM 0 HE2 TYR A 82 -2.719 11.004 -1.268 1.00 1.75 H new ATOM 0 HH TYR A 82 -4.117 11.637 -2.925 1.00 0.92 H new ATOM 1282 N HIS A 83 -3.218 3.323 0.484 1.00 0.66 N ATOM 1283 CA HIS A 83 -2.781 1.964 0.805 1.00 0.70 C ATOM 1284 C HIS A 83 -2.979 1.016 -0.384 1.00 0.60 C ATOM 1285 O HIS A 83 -3.757 1.314 -1.287 1.00 0.68 O ATOM 1286 CB HIS A 83 -3.495 1.490 2.070 1.00 0.82 C ATOM 1287 CG HIS A 83 -4.976 1.308 1.908 1.00 0.73 C ATOM 1288 ND1 HIS A 83 -5.936 2.291 2.025 1.00 0.65 N ATOM 1289 CD2 HIS A 83 -5.604 0.158 1.515 1.00 0.75 C ATOM 1290 CE1 HIS A 83 -7.112 1.748 1.680 1.00 0.62 C ATOM 1291 NE2 HIS A 83 -6.961 0.448 1.394 1.00 0.69 N ATOM 0 H HIS A 83 -3.857 3.359 -0.310 1.00 0.66 H new ATOM 0 HA HIS A 83 -1.709 1.964 1.005 1.00 0.70 H new ATOM 0 HB2 HIS A 83 -3.057 0.544 2.389 1.00 0.82 H new ATOM 0 HB3 HIS A 83 -3.314 2.210 2.868 1.00 0.82 H new ATOM 0 HD1 HIS A 83 -5.780 3.255 2.320 1.00 0.65 H new ATOM 0 HD2 HIS A 83 -5.135 -0.797 1.332 1.00 0.75 H new ATOM 0 HE1 HIS A 83 -8.049 2.283 1.638 1.00 0.62 H new ATOM 1299 N PHE A 84 -2.338 -0.153 -0.363 1.00 0.51 N ATOM 1300 CA PHE A 84 -2.605 -1.217 -1.334 1.00 0.51 C ATOM 1301 C PHE A 84 -3.585 -2.239 -0.735 1.00 0.51 C ATOM 1302 O PHE A 84 -3.366 -2.713 0.378 1.00 0.61 O ATOM 1303 CB PHE A 84 -1.293 -1.928 -1.687 1.00 0.56 C ATOM 1304 CG PHE A 84 -0.377 -1.116 -2.567 1.00 0.57 C ATOM 1305 CD1 PHE A 84 -0.684 -0.953 -3.931 1.00 1.58 C ATOM 1306 CD2 PHE A 84 0.772 -0.517 -2.026 1.00 1.83 C ATOM 1307 CE1 PHE A 84 0.165 -0.196 -4.753 1.00 1.62 C ATOM 1308 CE2 PHE A 84 1.619 0.250 -2.846 1.00 1.82 C ATOM 1309 CZ PHE A 84 1.313 0.408 -4.207 1.00 0.66 C ATOM 0 H PHE A 84 -1.622 -0.389 0.324 1.00 0.51 H new ATOM 0 HA PHE A 84 -3.042 -0.778 -2.231 1.00 0.51 H new ATOM 0 HB2 PHE A 84 -0.768 -2.179 -0.766 1.00 0.56 H new ATOM 0 HB3 PHE A 84 -1.524 -2.868 -2.188 1.00 0.56 H new ATOM 0 HD1 PHE A 84 -1.571 -1.410 -4.344 1.00 1.58 H new ATOM 0 HD2 PHE A 84 1.006 -0.645 -0.979 1.00 1.83 H new ATOM 0 HE1 PHE A 84 -0.062 -0.077 -5.802 1.00 1.62 H new ATOM 0 HE2 PHE A 84 2.501 0.715 -2.431 1.00 1.82 H new ATOM 0 HZ PHE A 84 1.962 0.996 -4.839 1.00 0.66 H new ATOM 1319 N MET A 85 -4.623 -2.630 -1.475 1.00 0.46 N ATOM 1320 CA MET A 85 -5.506 -3.777 -1.218 1.00 0.46 C ATOM 1321 C MET A 85 -4.908 -5.023 -1.876 1.00 0.49 C ATOM 1322 O MET A 85 -4.790 -5.061 -3.095 1.00 0.46 O ATOM 1323 CB MET A 85 -6.908 -3.503 -1.775 1.00 0.48 C ATOM 1324 CG MET A 85 -7.982 -4.059 -0.832 1.00 0.64 C ATOM 1325 SD MET A 85 -8.174 -3.108 0.708 1.00 0.91 S ATOM 1326 CE MET A 85 -9.250 -4.250 1.616 1.00 0.61 C ATOM 0 H MET A 85 -4.889 -2.127 -2.321 1.00 0.46 H new ATOM 0 HA MET A 85 -5.591 -3.938 -0.143 1.00 0.46 H new ATOM 0 HB2 MET A 85 -7.050 -2.430 -1.905 1.00 0.48 H new ATOM 0 HB3 MET A 85 -7.010 -3.959 -2.760 1.00 0.48 H new ATOM 0 HG2 MET A 85 -8.937 -4.079 -1.357 1.00 0.64 H new ATOM 0 HG3 MET A 85 -7.734 -5.090 -0.582 1.00 0.64 H new ATOM 0 HE1 MET A 85 -9.479 -3.833 2.597 1.00 0.61 H new ATOM 0 HE2 MET A 85 -10.176 -4.398 1.060 1.00 0.61 H new ATOM 0 HE3 MET A 85 -8.744 -5.207 1.738 1.00 0.61 H new ATOM 1336 N LEU A 86 -4.517 -6.029 -1.100 1.00 0.66 N ATOM 1337 CA LEU A 86 -3.801 -7.214 -1.585 1.00 0.80 C ATOM 1338 C LEU A 86 -4.798 -8.360 -1.764 1.00 0.87 C ATOM 1339 O LEU A 86 -5.422 -8.763 -0.787 1.00 0.88 O ATOM 1340 CB LEU A 86 -2.723 -7.605 -0.559 1.00 0.86 C ATOM 1341 CG LEU A 86 -1.406 -6.814 -0.625 1.00 0.92 C ATOM 1342 CD1 LEU A 86 -1.562 -5.323 -0.306 1.00 1.21 C ATOM 1343 CD2 LEU A 86 -0.431 -7.421 0.393 1.00 1.45 C ATOM 0 H LEU A 86 -4.690 -6.048 -0.095 1.00 0.66 H new ATOM 0 HA LEU A 86 -3.324 -7.001 -2.542 1.00 0.80 H new ATOM 0 HB2 LEU A 86 -3.143 -7.489 0.440 1.00 0.86 H new ATOM 0 HB3 LEU A 86 -2.494 -8.663 -0.688 1.00 0.86 H new ATOM 0 HG LEU A 86 -1.044 -6.885 -1.651 1.00 0.92 H new ATOM 0 HD11 LEU A 86 -0.591 -4.833 -0.373 1.00 1.21 H new ATOM 0 HD12 LEU A 86 -2.248 -4.868 -1.020 1.00 1.21 H new ATOM 0 HD13 LEU A 86 -1.958 -5.206 0.703 1.00 1.21 H new ATOM 0 HD21 LEU A 86 0.512 -6.875 0.364 1.00 1.45 H new ATOM 0 HD22 LEU A 86 -0.859 -7.352 1.393 1.00 1.45 H new ATOM 0 HD23 LEU A 86 -0.252 -8.467 0.146 1.00 1.45 H new ATOM 1355 N LEU A 87 -4.954 -8.882 -2.983 1.00 1.00 N ATOM 1356 CA LEU A 87 -6.087 -9.733 -3.359 1.00 1.01 C ATOM 1357 C LEU A 87 -5.687 -11.121 -3.887 1.00 0.98 C ATOM 1358 O LEU A 87 -4.720 -11.286 -4.632 1.00 1.02 O ATOM 1359 CB LEU A 87 -6.948 -8.946 -4.368 1.00 1.14 C ATOM 1360 CG LEU A 87 -8.434 -9.369 -4.350 1.00 1.39 C ATOM 1361 CD1 LEU A 87 -9.341 -8.133 -4.287 1.00 1.52 C ATOM 1362 CD2 LEU A 87 -8.823 -10.236 -5.546 1.00 3.18 C ATOM 0 H LEU A 87 -4.293 -8.725 -3.743 1.00 1.00 H new ATOM 0 HA LEU A 87 -6.662 -9.961 -2.461 1.00 1.01 H new ATOM 0 HB2 LEU A 87 -6.876 -7.881 -4.146 1.00 1.14 H new ATOM 0 HB3 LEU A 87 -6.547 -9.091 -5.371 1.00 1.14 H new ATOM 0 HG LEU A 87 -8.572 -9.976 -3.455 1.00 1.39 H new ATOM 0 HD11 LEU A 87 -10.385 -8.448 -4.275 1.00 1.52 H new ATOM 0 HD12 LEU A 87 -9.122 -7.567 -3.382 1.00 1.52 H new ATOM 0 HD13 LEU A 87 -9.161 -7.505 -5.160 1.00 1.52 H new ATOM 0 HD21 LEU A 87 -9.878 -10.500 -5.476 1.00 3.18 H new ATOM 0 HD22 LEU A 87 -8.648 -9.683 -6.469 1.00 3.18 H new ATOM 0 HD23 LEU A 87 -8.221 -11.145 -5.548 1.00 3.18 H new ATOM 1374 N GLY A 88 -6.463 -12.138 -3.503 1.00 0.97 N ATOM 1375 CA GLY A 88 -6.278 -13.531 -3.925 1.00 1.01 C ATOM 1376 C GLY A 88 -5.154 -14.242 -3.173 1.00 1.08 C ATOM 1377 O GLY A 88 -4.375 -14.960 -3.805 1.00 1.88 O ATOM 0 H GLY A 88 -7.257 -12.014 -2.875 1.00 0.97 H new ATOM 0 HA2 GLY A 88 -7.210 -14.077 -3.774 1.00 1.01 H new ATOM 0 HA3 GLY A 88 -6.064 -13.555 -4.993 1.00 1.01 H new ATOM 1381 N LEU A 89 -5.020 -13.968 -1.866 1.00 0.61 N ATOM 1382 CA LEU A 89 -3.947 -14.439 -0.985 1.00 0.56 C ATOM 1383 C LEU A 89 -3.554 -15.908 -1.120 1.00 0.57 C ATOM 1384 O LEU A 89 -4.340 -16.782 -1.477 1.00 0.68 O ATOM 1385 CB LEU A 89 -4.218 -14.191 0.509 1.00 0.56 C ATOM 1386 CG LEU A 89 -4.792 -12.833 0.955 1.00 0.60 C ATOM 1387 CD1 LEU A 89 -4.724 -12.776 2.485 1.00 0.71 C ATOM 1388 CD2 LEU A 89 -4.036 -11.629 0.373 1.00 0.61 C ATOM 0 H LEU A 89 -5.693 -13.382 -1.373 1.00 0.61 H new ATOM 0 HA LEU A 89 -3.119 -13.828 -1.344 1.00 0.56 H new ATOM 0 HB2 LEU A 89 -4.905 -14.965 0.850 1.00 0.56 H new ATOM 0 HB3 LEU A 89 -3.279 -14.341 1.042 1.00 0.56 H new ATOM 0 HG LEU A 89 -5.815 -12.765 0.584 1.00 0.60 H new ATOM 0 HD11 LEU A 89 -5.125 -11.823 2.832 1.00 0.71 H new ATOM 0 HD12 LEU A 89 -5.312 -13.592 2.906 1.00 0.71 H new ATOM 0 HD13 LEU A 89 -3.687 -12.872 2.807 1.00 0.71 H new ATOM 0 HD21 LEU A 89 -4.494 -10.706 0.728 1.00 0.61 H new ATOM 0 HD22 LEU A 89 -2.995 -11.664 0.693 1.00 0.61 H new ATOM 0 HD23 LEU A 89 -4.083 -11.662 -0.716 1.00 0.61 H new ATOM 1400 N LYS A 90 -2.291 -16.158 -0.780 1.00 0.58 N ATOM 1401 CA LYS A 90 -1.633 -17.459 -0.944 1.00 0.62 C ATOM 1402 C LYS A 90 -1.272 -18.171 0.366 1.00 0.69 C ATOM 1403 O LYS A 90 -0.987 -19.374 0.399 1.00 0.84 O ATOM 1404 CB LYS A 90 -0.393 -17.259 -1.805 1.00 0.65 C ATOM 1405 CG LYS A 90 -0.596 -16.516 -3.151 1.00 0.69 C ATOM 1406 CD LYS A 90 -1.751 -17.135 -3.946 1.00 0.98 C ATOM 1407 CE LYS A 90 -2.043 -16.554 -5.335 1.00 1.04 C ATOM 1408 NZ LYS A 90 -3.441 -16.864 -5.748 1.00 1.83 N ATOM 0 H LYS A 90 -1.681 -15.449 -0.374 1.00 0.58 H new ATOM 0 HA LYS A 90 -2.353 -18.122 -1.423 1.00 0.62 H new ATOM 0 HB2 LYS A 90 0.343 -16.709 -1.219 1.00 0.65 H new ATOM 0 HB3 LYS A 90 0.036 -18.238 -2.017 1.00 0.65 H new ATOM 0 HG2 LYS A 90 -0.802 -15.462 -2.962 1.00 0.69 H new ATOM 0 HG3 LYS A 90 0.321 -16.561 -3.738 1.00 0.69 H new ATOM 0 HD2 LYS A 90 -1.547 -18.200 -4.062 1.00 0.98 H new ATOM 0 HD3 LYS A 90 -2.657 -17.047 -3.347 1.00 0.98 H new ATOM 0 HE2 LYS A 90 -1.892 -15.475 -5.323 1.00 1.04 H new ATOM 0 HE3 LYS A 90 -1.343 -16.966 -6.062 1.00 1.04 H new ATOM 0 HZ1 LYS A 90 -3.600 -16.523 -6.717 1.00 1.83 H new ATOM 0 HZ2 LYS A 90 -3.593 -17.892 -5.714 1.00 1.83 H new ATOM 0 HZ3 LYS A 90 -4.106 -16.394 -5.102 1.00 1.83 H new ATOM 1422 N ARG A 91 -1.271 -17.398 1.443 1.00 0.70 N ATOM 1423 CA ARG A 91 -1.257 -17.790 2.844 1.00 0.82 C ATOM 1424 C ARG A 91 -2.233 -16.881 3.619 1.00 0.75 C ATOM 1425 O ARG A 91 -2.252 -15.691 3.310 1.00 0.77 O ATOM 1426 CB ARG A 91 0.155 -17.551 3.399 1.00 1.04 C ATOM 1427 CG ARG A 91 1.242 -18.494 2.861 1.00 1.63 C ATOM 1428 CD ARG A 91 0.987 -19.964 3.216 1.00 2.88 C ATOM 1429 NE ARG A 91 2.071 -20.824 2.708 1.00 4.06 N ATOM 1430 CZ ARG A 91 2.143 -21.388 1.506 1.00 5.29 C ATOM 1431 NH1 ARG A 91 1.190 -21.266 0.602 1.00 5.77 N ATOM 1432 NH2 ARG A 91 3.206 -22.097 1.192 1.00 6.58 N ATOM 0 H ARG A 91 -1.281 -16.383 1.347 1.00 0.70 H new ATOM 0 HA ARG A 91 -1.543 -18.837 2.946 1.00 0.82 H new ATOM 0 HB2 ARG A 91 0.446 -16.524 3.176 1.00 1.04 H new ATOM 0 HB3 ARG A 91 0.121 -17.645 4.484 1.00 1.04 H new ATOM 0 HG2 ARG A 91 1.300 -18.392 1.777 1.00 1.63 H new ATOM 0 HG3 ARG A 91 2.209 -18.191 3.262 1.00 1.63 H new ATOM 0 HD2 ARG A 91 0.908 -20.073 4.298 1.00 2.88 H new ATOM 0 HD3 ARG A 91 0.035 -20.284 2.793 1.00 2.88 H new ATOM 0 HE ARG A 91 2.847 -21.005 3.345 1.00 4.06 H new ATOM 0 HH11 ARG A 91 0.354 -20.721 0.813 1.00 5.77 H new ATOM 0 HH12 ARG A 91 1.289 -21.717 -0.308 1.00 5.77 H new ATOM 0 HH21 ARG A 91 3.962 -22.209 1.867 1.00 6.58 H new ATOM 0 HH22 ARG A 91 3.274 -22.535 0.273 1.00 6.58 H new ATOM 1446 N PRO A 92 -2.982 -17.388 4.614 1.00 0.87 N ATOM 1447 CA PRO A 92 -3.553 -16.545 5.656 1.00 0.98 C ATOM 1448 C PRO A 92 -2.406 -16.073 6.556 1.00 1.04 C ATOM 1449 O PRO A 92 -1.541 -16.878 6.901 1.00 1.36 O ATOM 1450 CB PRO A 92 -4.539 -17.451 6.403 1.00 1.20 C ATOM 1451 CG PRO A 92 -3.922 -18.843 6.271 1.00 1.26 C ATOM 1452 CD PRO A 92 -3.212 -18.797 4.914 1.00 1.07 C ATOM 0 HA PRO A 92 -4.066 -15.657 5.286 1.00 0.98 H new ATOM 0 HB2 PRO A 92 -4.642 -17.156 7.447 1.00 1.20 H new ATOM 0 HB3 PRO A 92 -5.534 -17.410 5.961 1.00 1.20 H new ATOM 0 HG2 PRO A 92 -3.224 -19.050 7.082 1.00 1.26 H new ATOM 0 HG3 PRO A 92 -4.683 -19.623 6.299 1.00 1.26 H new ATOM 0 HD2 PRO A 92 -2.270 -19.345 4.950 1.00 1.07 H new ATOM 0 HD3 PRO A 92 -3.822 -19.264 4.141 1.00 1.07 H new ATOM 1460 N LEU A 93 -2.376 -14.784 6.925 1.00 1.07 N ATOM 1461 CA LEU A 93 -1.281 -14.220 7.728 1.00 1.22 C ATOM 1462 C LEU A 93 -1.756 -13.991 9.169 1.00 1.25 C ATOM 1463 O LEU A 93 -2.510 -13.060 9.436 1.00 1.61 O ATOM 1464 CB LEU A 93 -0.754 -12.909 7.094 1.00 1.54 C ATOM 1465 CG LEU A 93 -0.200 -12.935 5.649 1.00 1.87 C ATOM 1466 CD1 LEU A 93 0.631 -14.187 5.333 1.00 3.30 C ATOM 1467 CD2 LEU A 93 -1.304 -12.728 4.602 1.00 1.36 C ATOM 0 H LEU A 93 -3.101 -14.110 6.679 1.00 1.07 H new ATOM 0 HA LEU A 93 -0.454 -14.929 7.747 1.00 1.22 H new ATOM 0 HB2 LEU A 93 -1.567 -12.183 7.120 1.00 1.54 H new ATOM 0 HB3 LEU A 93 0.036 -12.527 7.741 1.00 1.54 H new ATOM 0 HG LEU A 93 0.484 -12.088 5.590 1.00 1.87 H new ATOM 0 HD11 LEU A 93 0.987 -14.137 4.304 1.00 3.30 H new ATOM 0 HD12 LEU A 93 1.484 -14.238 6.010 1.00 3.30 H new ATOM 0 HD13 LEU A 93 0.013 -15.076 5.461 1.00 3.30 H new ATOM 0 HD21 LEU A 93 -0.868 -12.754 3.603 1.00 1.36 H new ATOM 0 HD22 LEU A 93 -2.046 -13.521 4.694 1.00 1.36 H new ATOM 0 HD23 LEU A 93 -1.783 -11.762 4.764 1.00 1.36 H new ATOM 1479 N LYS A 94 -1.334 -14.820 10.133 1.00 1.61 N ATOM 1480 CA LYS A 94 -2.016 -14.904 11.453 1.00 2.04 C ATOM 1481 C LYS A 94 -1.557 -13.904 12.531 1.00 2.41 C ATOM 1482 O LYS A 94 -1.775 -14.104 13.722 1.00 4.34 O ATOM 1483 CB LYS A 94 -2.106 -16.367 11.935 1.00 2.55 C ATOM 1484 CG LYS A 94 -0.882 -16.931 12.683 1.00 2.23 C ATOM 1485 CD LYS A 94 0.396 -16.953 11.851 1.00 2.01 C ATOM 1486 CE LYS A 94 1.498 -17.734 12.572 1.00 3.17 C ATOM 1487 NZ LYS A 94 2.721 -17.788 11.743 1.00 3.95 N ATOM 0 H LYS A 94 -0.531 -15.442 10.036 1.00 1.61 H new ATOM 0 HA LYS A 94 -3.031 -14.551 11.271 1.00 2.04 H new ATOM 0 HB2 LYS A 94 -2.974 -16.456 12.589 1.00 2.55 H new ATOM 0 HB3 LYS A 94 -2.294 -16.999 11.067 1.00 2.55 H new ATOM 0 HG2 LYS A 94 -0.710 -16.335 13.579 1.00 2.23 H new ATOM 0 HG3 LYS A 94 -1.106 -17.945 13.013 1.00 2.23 H new ATOM 0 HD2 LYS A 94 0.196 -17.408 10.881 1.00 2.01 H new ATOM 0 HD3 LYS A 94 0.730 -15.933 11.662 1.00 2.01 H new ATOM 0 HE2 LYS A 94 1.721 -17.261 13.529 1.00 3.17 H new ATOM 0 HE3 LYS A 94 1.153 -18.745 12.789 1.00 3.17 H new ATOM 0 HZ1 LYS A 94 3.338 -18.552 12.084 1.00 3.95 H new ATOM 0 HZ2 LYS A 94 2.461 -17.969 10.752 1.00 3.95 H new ATOM 0 HZ3 LYS A 94 3.225 -16.881 11.808 1.00 3.95 H new ATOM 1501 N ALA A 95 -0.938 -12.836 12.041 1.00 1.44 N ATOM 1502 CA ALA A 95 -0.066 -11.884 12.739 1.00 1.39 C ATOM 1503 C ALA A 95 1.257 -12.542 13.193 1.00 1.34 C ATOM 1504 O ALA A 95 1.354 -13.765 13.297 1.00 1.59 O ATOM 1505 CB ALA A 95 -0.819 -11.175 13.878 1.00 1.44 C ATOM 0 H ALA A 95 -1.040 -12.588 11.057 1.00 1.44 H new ATOM 0 HA ALA A 95 0.223 -11.107 12.031 1.00 1.39 H new ATOM 0 HB1 ALA A 95 -0.148 -10.476 14.377 1.00 1.44 H new ATOM 0 HB2 ALA A 95 -1.670 -10.632 13.468 1.00 1.44 H new ATOM 0 HB3 ALA A 95 -1.172 -11.915 14.596 1.00 1.44 H new ATOM 1511 N GLY A 96 2.297 -11.726 13.403 1.00 1.24 N ATOM 1512 CA GLY A 96 3.669 -12.187 13.675 1.00 1.28 C ATOM 1513 C GLY A 96 4.460 -12.607 12.427 1.00 1.10 C ATOM 1514 O GLY A 96 5.612 -13.008 12.561 1.00 1.28 O ATOM 0 H GLY A 96 2.210 -10.710 13.389 1.00 1.24 H new ATOM 0 HA2 GLY A 96 4.212 -11.390 14.183 1.00 1.28 H new ATOM 0 HA3 GLY A 96 3.625 -13.031 14.363 1.00 1.28 H new ATOM 1518 N GLU A 97 3.850 -12.513 11.243 1.00 1.08 N ATOM 1519 CA GLU A 97 4.458 -12.783 9.941 1.00 1.10 C ATOM 1520 C GLU A 97 5.195 -11.529 9.425 1.00 1.01 C ATOM 1521 O GLU A 97 5.055 -10.440 9.986 1.00 0.98 O ATOM 1522 CB GLU A 97 3.370 -13.205 8.927 1.00 1.17 C ATOM 1523 CG GLU A 97 2.267 -14.161 9.393 1.00 1.52 C ATOM 1524 CD GLU A 97 2.755 -15.556 9.744 1.00 1.45 C ATOM 1525 OE1 GLU A 97 3.726 -15.690 10.516 1.00 2.69 O ATOM 1526 OE2 GLU A 97 2.066 -16.535 9.379 1.00 2.09 O ATOM 0 H GLU A 97 2.872 -12.233 11.164 1.00 1.08 H new ATOM 0 HA GLU A 97 5.177 -13.594 10.053 1.00 1.10 H new ATOM 0 HB2 GLU A 97 2.889 -12.298 8.560 1.00 1.17 H new ATOM 0 HB3 GLU A 97 3.871 -13.667 8.076 1.00 1.17 H new ATOM 0 HG2 GLU A 97 1.775 -13.731 10.265 1.00 1.52 H new ATOM 0 HG3 GLU A 97 1.515 -14.239 8.608 1.00 1.52 H new ATOM 1533 N GLU A 98 5.874 -11.654 8.286 1.00 1.03 N ATOM 1534 CA GLU A 98 6.361 -10.583 7.441 1.00 1.06 C ATOM 1535 C GLU A 98 5.859 -10.914 6.035 1.00 1.21 C ATOM 1536 O GLU A 98 5.630 -12.071 5.684 1.00 1.42 O ATOM 1537 CB GLU A 98 7.901 -10.475 7.414 1.00 1.13 C ATOM 1538 CG GLU A 98 8.529 -9.777 8.632 1.00 2.06 C ATOM 1539 CD GLU A 98 9.550 -8.716 8.201 1.00 2.78 C ATOM 1540 OE1 GLU A 98 10.724 -9.077 7.983 1.00 2.95 O ATOM 1541 OE2 GLU A 98 9.136 -7.544 8.059 1.00 4.09 O ATOM 0 H GLU A 98 6.111 -12.572 7.910 1.00 1.03 H new ATOM 0 HA GLU A 98 6.002 -9.627 7.822 1.00 1.06 H new ATOM 0 HB2 GLU A 98 8.318 -11.479 7.335 1.00 1.13 H new ATOM 0 HB3 GLU A 98 8.196 -9.936 6.514 1.00 1.13 H new ATOM 0 HG2 GLU A 98 7.746 -9.310 9.230 1.00 2.06 H new ATOM 0 HG3 GLU A 98 9.016 -10.517 9.267 1.00 2.06 H new ATOM 1548 N VAL A 99 5.699 -9.872 5.244 1.00 1.13 N ATOM 1549 CA VAL A 99 5.314 -9.904 3.833 1.00 1.15 C ATOM 1550 C VAL A 99 6.181 -8.917 3.057 1.00 0.97 C ATOM 1551 O VAL A 99 6.426 -7.795 3.492 1.00 0.98 O ATOM 1552 CB VAL A 99 3.822 -9.562 3.629 1.00 1.32 C ATOM 1553 CG1 VAL A 99 3.422 -9.584 2.145 1.00 1.53 C ATOM 1554 CG2 VAL A 99 2.887 -10.514 4.394 1.00 1.53 C ATOM 0 H VAL A 99 5.841 -8.920 5.582 1.00 1.13 H new ATOM 0 HA VAL A 99 5.468 -10.918 3.464 1.00 1.15 H new ATOM 0 HB VAL A 99 3.706 -8.553 4.025 1.00 1.32 H new ATOM 0 HG11 VAL A 99 2.364 -9.338 2.050 1.00 1.53 H new ATOM 0 HG12 VAL A 99 4.016 -8.852 1.597 1.00 1.53 H new ATOM 0 HG13 VAL A 99 3.602 -10.578 1.734 1.00 1.53 H new ATOM 0 HG21 VAL A 99 1.851 -10.228 4.215 1.00 1.53 H new ATOM 0 HG22 VAL A 99 3.046 -11.536 4.049 1.00 1.53 H new ATOM 0 HG23 VAL A 99 3.101 -10.454 5.461 1.00 1.53 H new ATOM 1564 N GLU A 100 6.612 -9.361 1.883 1.00 0.91 N ATOM 1565 CA GLU A 100 7.341 -8.565 0.902 1.00 0.80 C ATOM 1566 C GLU A 100 6.351 -7.881 -0.055 1.00 0.83 C ATOM 1567 O GLU A 100 5.400 -8.512 -0.533 1.00 0.83 O ATOM 1568 CB GLU A 100 8.324 -9.483 0.156 1.00 0.88 C ATOM 1569 CG GLU A 100 9.286 -8.709 -0.750 1.00 2.28 C ATOM 1570 CD GLU A 100 10.265 -9.639 -1.459 1.00 2.12 C ATOM 1571 OE1 GLU A 100 9.833 -10.534 -2.219 1.00 2.11 O ATOM 1572 OE2 GLU A 100 11.488 -9.401 -1.387 1.00 3.03 O ATOM 0 H GLU A 100 6.458 -10.321 1.576 1.00 0.91 H new ATOM 0 HA GLU A 100 7.911 -7.777 1.393 1.00 0.80 H new ATOM 0 HB2 GLU A 100 8.899 -10.058 0.882 1.00 0.88 H new ATOM 0 HB3 GLU A 100 7.762 -10.198 -0.445 1.00 0.88 H new ATOM 0 HG2 GLU A 100 8.716 -8.148 -1.490 1.00 2.28 H new ATOM 0 HG3 GLU A 100 9.840 -7.982 -0.156 1.00 2.28 H new ATOM 1579 N LEU A 101 6.584 -6.599 -0.346 1.00 0.93 N ATOM 1580 CA LEU A 101 5.881 -5.832 -1.378 1.00 0.99 C ATOM 1581 C LEU A 101 6.884 -5.317 -2.406 1.00 0.95 C ATOM 1582 O LEU A 101 7.948 -4.802 -2.060 1.00 0.97 O ATOM 1583 CB LEU A 101 5.139 -4.623 -0.771 1.00 1.08 C ATOM 1584 CG LEU A 101 3.676 -4.849 -0.344 1.00 1.33 C ATOM 1585 CD1 LEU A 101 2.703 -4.903 -1.529 1.00 1.97 C ATOM 1586 CD2 LEU A 101 3.451 -6.032 0.605 1.00 2.63 C ATOM 0 H LEU A 101 7.289 -6.049 0.145 1.00 0.93 H new ATOM 0 HA LEU A 101 5.154 -6.494 -1.848 1.00 0.99 H new ATOM 0 HB2 LEU A 101 5.699 -4.283 0.101 1.00 1.08 H new ATOM 0 HB3 LEU A 101 5.159 -3.812 -1.499 1.00 1.08 H new ATOM 0 HG LEU A 101 3.448 -3.956 0.238 1.00 1.33 H new ATOM 0 HD11 LEU A 101 1.690 -5.064 -1.161 1.00 1.97 H new ATOM 0 HD12 LEU A 101 2.744 -3.962 -2.077 1.00 1.97 H new ATOM 0 HD13 LEU A 101 2.983 -5.722 -2.192 1.00 1.97 H new ATOM 0 HD21 LEU A 101 2.391 -6.108 0.847 1.00 2.63 H new ATOM 0 HD22 LEU A 101 3.780 -6.953 0.123 1.00 2.63 H new ATOM 0 HD23 LEU A 101 4.022 -5.878 1.521 1.00 2.63 H new ATOM 1598 N ASP A 102 6.475 -5.374 -3.662 1.00 0.98 N ATOM 1599 CA ASP A 102 7.100 -4.736 -4.815 1.00 0.97 C ATOM 1600 C ASP A 102 6.357 -3.432 -5.151 1.00 0.95 C ATOM 1601 O ASP A 102 5.127 -3.380 -5.067 1.00 1.19 O ATOM 1602 CB ASP A 102 6.975 -5.669 -6.023 1.00 1.01 C ATOM 1603 CG ASP A 102 7.435 -7.120 -5.813 1.00 1.34 C ATOM 1604 OD1 ASP A 102 8.665 -7.341 -5.796 1.00 1.94 O ATOM 1605 OD2 ASP A 102 6.551 -8.009 -5.760 1.00 2.63 O ATOM 0 H ASP A 102 5.642 -5.902 -3.924 1.00 0.98 H new ATOM 0 HA ASP A 102 8.145 -4.527 -4.587 1.00 0.97 H new ATOM 0 HB2 ASP A 102 5.932 -5.683 -6.338 1.00 1.01 H new ATOM 0 HB3 ASP A 102 7.550 -5.243 -6.845 1.00 1.01 H new ATOM 1610 N LEU A 103 7.085 -2.398 -5.580 1.00 0.75 N ATOM 1611 CA LEU A 103 6.561 -1.111 -6.029 1.00 0.71 C ATOM 1612 C LEU A 103 6.871 -0.930 -7.522 1.00 0.65 C ATOM 1613 O LEU A 103 8.033 -0.887 -7.933 1.00 0.77 O ATOM 1614 CB LEU A 103 7.186 0.027 -5.203 1.00 0.78 C ATOM 1615 CG LEU A 103 6.736 0.105 -3.729 1.00 0.86 C ATOM 1616 CD1 LEU A 103 7.384 -0.953 -2.822 1.00 1.03 C ATOM 1617 CD2 LEU A 103 7.089 1.488 -3.158 1.00 1.18 C ATOM 0 H LEU A 103 8.103 -2.440 -5.625 1.00 0.75 H new ATOM 0 HA LEU A 103 5.481 -1.084 -5.886 1.00 0.71 H new ATOM 0 HB2 LEU A 103 8.270 -0.083 -5.228 1.00 0.78 H new ATOM 0 HB3 LEU A 103 6.951 0.975 -5.687 1.00 0.78 H new ATOM 0 HG LEU A 103 5.662 -0.078 -3.736 1.00 0.86 H new ATOM 0 HD11 LEU A 103 7.017 -0.832 -1.803 1.00 1.03 H new ATOM 0 HD12 LEU A 103 7.128 -1.949 -3.184 1.00 1.03 H new ATOM 0 HD13 LEU A 103 8.467 -0.829 -2.835 1.00 1.03 H new ATOM 0 HD21 LEU A 103 6.771 1.544 -2.117 1.00 1.18 H new ATOM 0 HD22 LEU A 103 8.166 1.642 -3.217 1.00 1.18 H new ATOM 0 HD23 LEU A 103 6.580 2.260 -3.734 1.00 1.18 H new ATOM 1629 N LEU A 104 5.823 -0.802 -8.338 1.00 0.51 N ATOM 1630 CA LEU A 104 5.907 -0.658 -9.792 1.00 0.47 C ATOM 1631 C LEU A 104 5.938 0.833 -10.156 1.00 0.51 C ATOM 1632 O LEU A 104 4.953 1.560 -9.972 1.00 0.55 O ATOM 1633 CB LEU A 104 4.732 -1.405 -10.463 1.00 0.47 C ATOM 1634 CG LEU A 104 4.583 -2.898 -10.087 1.00 0.51 C ATOM 1635 CD1 LEU A 104 3.359 -3.488 -10.801 1.00 0.67 C ATOM 1636 CD2 LEU A 104 5.827 -3.726 -10.441 1.00 0.55 C ATOM 0 H LEU A 104 4.863 -0.796 -7.994 1.00 0.51 H new ATOM 0 HA LEU A 104 6.828 -1.108 -10.164 1.00 0.47 H new ATOM 0 HB2 LEU A 104 3.806 -0.891 -10.207 1.00 0.47 H new ATOM 0 HB3 LEU A 104 4.849 -1.332 -11.544 1.00 0.47 H new ATOM 0 HG LEU A 104 4.457 -2.946 -9.005 1.00 0.51 H new ATOM 0 HD11 LEU A 104 3.255 -4.540 -10.535 1.00 0.67 H new ATOM 0 HD12 LEU A 104 2.464 -2.946 -10.496 1.00 0.67 H new ATOM 0 HD13 LEU A 104 3.488 -3.397 -11.880 1.00 0.67 H new ATOM 0 HD21 LEU A 104 5.666 -4.765 -10.155 1.00 0.55 H new ATOM 0 HD22 LEU A 104 6.009 -3.669 -11.514 1.00 0.55 H new ATOM 0 HD23 LEU A 104 6.691 -3.332 -9.905 1.00 0.55 H new ATOM 1648 N PHE A 105 7.076 1.294 -10.673 1.00 0.58 N ATOM 1649 CA PHE A 105 7.340 2.697 -10.974 1.00 0.64 C ATOM 1650 C PHE A 105 7.260 2.948 -12.484 1.00 0.64 C ATOM 1651 O PHE A 105 8.167 2.573 -13.225 1.00 1.07 O ATOM 1652 CB PHE A 105 8.723 3.069 -10.439 1.00 0.70 C ATOM 1653 CG PHE A 105 8.811 2.986 -8.938 1.00 0.68 C ATOM 1654 CD1 PHE A 105 8.109 3.917 -8.149 1.00 1.66 C ATOM 1655 CD2 PHE A 105 9.564 1.966 -8.329 1.00 2.09 C ATOM 1656 CE1 PHE A 105 8.175 3.833 -6.753 1.00 1.66 C ATOM 1657 CE2 PHE A 105 9.605 1.877 -6.933 1.00 2.08 C ATOM 1658 CZ PHE A 105 8.925 2.815 -6.146 1.00 0.68 C ATOM 0 H PHE A 105 7.861 0.683 -10.900 1.00 0.58 H new ATOM 0 HA PHE A 105 6.586 3.320 -10.492 1.00 0.64 H new ATOM 0 HB2 PHE A 105 9.468 2.406 -10.879 1.00 0.70 H new ATOM 0 HB3 PHE A 105 8.970 4.082 -10.757 1.00 0.70 H new ATOM 0 HD1 PHE A 105 7.522 4.693 -8.619 1.00 1.66 H new ATOM 0 HD2 PHE A 105 10.107 1.256 -8.935 1.00 2.09 H new ATOM 0 HE1 PHE A 105 7.648 4.552 -6.143 1.00 1.66 H new ATOM 0 HE2 PHE A 105 10.163 1.082 -6.461 1.00 2.08 H new ATOM 0 HZ PHE A 105 8.978 2.754 -5.069 1.00 0.68 H new ATOM 1668 N ALA A 106 6.186 3.605 -12.937 1.00 0.52 N ATOM 1669 CA ALA A 106 5.968 4.043 -14.324 1.00 0.57 C ATOM 1670 C ALA A 106 6.122 2.928 -15.389 1.00 1.72 C ATOM 1671 O ALA A 106 6.412 3.217 -16.548 1.00 2.64 O ATOM 1672 CB ALA A 106 6.868 5.263 -14.595 1.00 1.29 C ATOM 0 H ALA A 106 5.412 3.857 -12.323 1.00 0.52 H new ATOM 0 HA ALA A 106 4.920 4.327 -14.424 1.00 0.57 H new ATOM 0 HB1 ALA A 106 6.721 5.603 -15.620 1.00 1.29 H new ATOM 0 HB2 ALA A 106 6.609 6.066 -13.905 1.00 1.29 H new ATOM 0 HB3 ALA A 106 7.912 4.984 -14.452 1.00 1.29 H new ATOM 1678 N GLY A 107 5.988 1.652 -14.998 1.00 2.59 N ATOM 1679 CA GLY A 107 6.234 0.478 -15.846 1.00 3.76 C ATOM 1680 C GLY A 107 7.721 0.137 -15.978 1.00 3.01 C ATOM 1681 O GLY A 107 8.122 -0.975 -15.654 1.00 4.24 O ATOM 0 H GLY A 107 5.696 1.402 -14.053 1.00 2.59 H new ATOM 0 HA2 GLY A 107 5.705 -0.380 -15.431 1.00 3.76 H new ATOM 0 HA3 GLY A 107 5.819 0.659 -16.837 1.00 3.76 H new ATOM 1685 N GLY A 108 8.544 1.098 -16.419 1.00 1.41 N ATOM 1686 CA GLY A 108 9.962 0.895 -16.759 1.00 1.55 C ATOM 1687 C GLY A 108 10.924 0.732 -15.575 1.00 1.45 C ATOM 1688 O GLY A 108 12.127 0.592 -15.790 1.00 2.05 O ATOM 0 H GLY A 108 8.237 2.061 -16.553 1.00 1.41 H new ATOM 0 HA2 GLY A 108 10.040 0.009 -17.389 1.00 1.55 H new ATOM 0 HA3 GLY A 108 10.296 1.742 -17.358 1.00 1.55 H new ATOM 1692 N LYS A 109 10.434 0.759 -14.331 1.00 0.86 N ATOM 1693 CA LYS A 109 11.221 0.540 -13.112 1.00 0.76 C ATOM 1694 C LYS A 109 10.458 -0.289 -12.065 1.00 0.68 C ATOM 1695 O LYS A 109 9.248 -0.151 -11.904 1.00 0.78 O ATOM 1696 CB LYS A 109 11.624 1.898 -12.507 1.00 0.80 C ATOM 1697 CG LYS A 109 12.892 2.467 -13.142 1.00 1.10 C ATOM 1698 CD LYS A 109 13.199 3.860 -12.576 1.00 1.42 C ATOM 1699 CE LYS A 109 14.448 4.443 -13.242 1.00 2.35 C ATOM 1700 NZ LYS A 109 15.685 3.736 -12.821 1.00 4.08 N ATOM 0 H LYS A 109 9.449 0.939 -14.138 1.00 0.86 H new ATOM 0 HA LYS A 109 12.109 -0.027 -13.392 1.00 0.76 H new ATOM 0 HB2 LYS A 109 10.807 2.607 -12.637 1.00 0.80 H new ATOM 0 HB3 LYS A 109 11.779 1.783 -11.434 1.00 0.80 H new ATOM 0 HG2 LYS A 109 13.732 1.798 -12.953 1.00 1.10 H new ATOM 0 HG3 LYS A 109 12.769 2.527 -14.223 1.00 1.10 H new ATOM 0 HD2 LYS A 109 12.349 4.522 -12.741 1.00 1.42 H new ATOM 0 HD3 LYS A 109 13.350 3.797 -11.498 1.00 1.42 H new ATOM 0 HE2 LYS A 109 14.345 4.379 -14.325 1.00 2.35 H new ATOM 0 HE3 LYS A 109 14.532 5.501 -12.992 1.00 2.35 H new ATOM 0 HZ1 LYS A 109 16.514 4.215 -13.228 1.00 4.08 H new ATOM 0 HZ2 LYS A 109 15.754 3.746 -11.783 1.00 4.08 H new ATOM 0 HZ3 LYS A 109 15.654 2.752 -13.157 1.00 4.08 H new ATOM 1714 N VAL A 110 11.206 -1.057 -11.274 1.00 0.80 N ATOM 1715 CA VAL A 110 10.726 -1.781 -10.090 1.00 0.87 C ATOM 1716 C VAL A 110 11.738 -1.685 -8.942 1.00 0.93 C ATOM 1717 O VAL A 110 12.936 -1.526 -9.185 1.00 1.08 O ATOM 1718 CB VAL A 110 10.398 -3.251 -10.451 1.00 0.89 C ATOM 1719 CG1 VAL A 110 11.644 -4.069 -10.825 1.00 1.96 C ATOM 1720 CG2 VAL A 110 9.615 -3.975 -9.344 1.00 2.14 C ATOM 0 H VAL A 110 12.202 -1.200 -11.444 1.00 0.80 H new ATOM 0 HA VAL A 110 9.804 -1.313 -9.744 1.00 0.87 H new ATOM 0 HB VAL A 110 9.761 -3.184 -11.333 1.00 0.89 H new ATOM 0 HG11 VAL A 110 11.350 -5.090 -11.068 1.00 1.96 H new ATOM 0 HG12 VAL A 110 12.130 -3.617 -11.689 1.00 1.96 H new ATOM 0 HG13 VAL A 110 12.337 -4.081 -9.984 1.00 1.96 H new ATOM 0 HG21 VAL A 110 9.413 -5.001 -9.652 1.00 2.14 H new ATOM 0 HG22 VAL A 110 10.203 -3.981 -8.426 1.00 2.14 H new ATOM 0 HG23 VAL A 110 8.672 -3.457 -9.167 1.00 2.14 H new ATOM 1730 N LEU A 111 11.237 -1.788 -7.710 1.00 0.85 N ATOM 1731 CA LEU A 111 11.992 -1.918 -6.459 1.00 0.80 C ATOM 1732 C LEU A 111 11.087 -2.610 -5.429 1.00 0.84 C ATOM 1733 O LEU A 111 9.876 -2.649 -5.626 1.00 0.91 O ATOM 1734 CB LEU A 111 12.423 -0.514 -5.985 1.00 0.95 C ATOM 1735 CG LEU A 111 13.673 -0.451 -5.087 1.00 1.20 C ATOM 1736 CD1 LEU A 111 14.939 -0.906 -5.827 1.00 2.19 C ATOM 1737 CD2 LEU A 111 13.847 1.002 -4.619 1.00 2.06 C ATOM 0 H LEU A 111 10.230 -1.783 -7.547 1.00 0.85 H new ATOM 0 HA LEU A 111 12.893 -2.516 -6.596 1.00 0.80 H new ATOM 0 HB2 LEU A 111 12.602 0.104 -6.865 1.00 0.95 H new ATOM 0 HB3 LEU A 111 11.590 -0.065 -5.444 1.00 0.95 H new ATOM 0 HG LEU A 111 13.533 -1.126 -4.243 1.00 1.20 H new ATOM 0 HD11 LEU A 111 15.795 -0.845 -5.155 1.00 2.19 H new ATOM 0 HD12 LEU A 111 14.814 -1.935 -6.163 1.00 2.19 H new ATOM 0 HD13 LEU A 111 15.108 -0.261 -6.689 1.00 2.19 H new ATOM 0 HD21 LEU A 111 14.727 1.076 -3.980 1.00 2.06 H new ATOM 0 HD22 LEU A 111 13.973 1.651 -5.486 1.00 2.06 H new ATOM 0 HD23 LEU A 111 12.965 1.312 -4.059 1.00 2.06 H new ATOM 1749 N LYS A 112 11.625 -3.134 -4.322 1.00 1.34 N ATOM 1750 CA LYS A 112 10.813 -3.872 -3.343 1.00 1.45 C ATOM 1751 C LYS A 112 11.258 -3.722 -1.879 1.00 1.29 C ATOM 1752 O LYS A 112 12.406 -3.380 -1.591 1.00 1.45 O ATOM 1753 CB LYS A 112 10.642 -5.333 -3.803 1.00 1.67 C ATOM 1754 CG LYS A 112 11.877 -6.243 -3.746 1.00 1.75 C ATOM 1755 CD LYS A 112 11.429 -7.626 -4.242 1.00 1.69 C ATOM 1756 CE LYS A 112 12.497 -8.706 -4.066 1.00 1.81 C ATOM 1757 NZ LYS A 112 11.862 -10.044 -4.063 1.00 1.93 N ATOM 0 H LYS A 112 12.613 -3.062 -4.081 1.00 1.34 H new ATOM 0 HA LYS A 112 9.829 -3.403 -3.327 1.00 1.45 H new ATOM 0 HB2 LYS A 112 9.861 -5.788 -3.194 1.00 1.67 H new ATOM 0 HB3 LYS A 112 10.280 -5.322 -4.831 1.00 1.67 H new ATOM 0 HG2 LYS A 112 12.678 -5.848 -4.371 1.00 1.75 H new ATOM 0 HG3 LYS A 112 12.267 -6.304 -2.730 1.00 1.75 H new ATOM 0 HD2 LYS A 112 10.529 -7.923 -3.704 1.00 1.69 H new ATOM 0 HD3 LYS A 112 11.162 -7.557 -5.296 1.00 1.69 H new ATOM 0 HE2 LYS A 112 13.228 -8.642 -4.872 1.00 1.81 H new ATOM 0 HE3 LYS A 112 13.037 -8.548 -3.133 1.00 1.81 H new ATOM 0 HZ1 LYS A 112 12.545 -10.753 -4.398 1.00 1.93 H new ATOM 0 HZ2 LYS A 112 11.560 -10.283 -3.097 1.00 1.93 H new ATOM 0 HZ3 LYS A 112 11.034 -10.037 -4.692 1.00 1.93 H new ATOM 1771 N VAL A 113 10.314 -3.940 -0.964 1.00 1.15 N ATOM 1772 CA VAL A 113 10.360 -3.633 0.476 1.00 1.25 C ATOM 1773 C VAL A 113 9.823 -4.825 1.283 1.00 1.12 C ATOM 1774 O VAL A 113 9.091 -5.639 0.733 1.00 1.04 O ATOM 1775 CB VAL A 113 9.532 -2.359 0.794 1.00 1.37 C ATOM 1776 CG1 VAL A 113 10.099 -1.131 0.059 1.00 2.11 C ATOM 1777 CG2 VAL A 113 8.036 -2.485 0.468 1.00 2.69 C ATOM 0 H VAL A 113 9.426 -4.369 -1.225 1.00 1.15 H new ATOM 0 HA VAL A 113 11.397 -3.447 0.757 1.00 1.25 H new ATOM 0 HB VAL A 113 9.619 -2.232 1.873 1.00 1.37 H new ATOM 0 HG11 VAL A 113 9.499 -0.253 0.300 1.00 2.11 H new ATOM 0 HG12 VAL A 113 11.130 -0.963 0.372 1.00 2.11 H new ATOM 0 HG13 VAL A 113 10.070 -1.305 -1.017 1.00 2.11 H new ATOM 0 HG21 VAL A 113 7.529 -1.553 0.719 1.00 2.69 H new ATOM 0 HG22 VAL A 113 7.911 -2.691 -0.595 1.00 2.69 H new ATOM 0 HG23 VAL A 113 7.605 -3.300 1.048 1.00 2.69 H new ATOM 1787 N VAL A 114 10.145 -4.915 2.576 1.00 1.18 N ATOM 1788 CA VAL A 114 9.658 -5.982 3.476 1.00 1.06 C ATOM 1789 C VAL A 114 9.085 -5.367 4.757 1.00 1.06 C ATOM 1790 O VAL A 114 9.579 -4.329 5.201 1.00 1.17 O ATOM 1791 CB VAL A 114 10.753 -7.042 3.746 1.00 1.05 C ATOM 1792 CG1 VAL A 114 11.907 -6.507 4.615 1.00 2.00 C ATOM 1793 CG2 VAL A 114 10.159 -8.330 4.333 1.00 2.49 C ATOM 0 H VAL A 114 10.758 -4.245 3.040 1.00 1.18 H new ATOM 0 HA VAL A 114 8.847 -6.518 2.984 1.00 1.06 H new ATOM 0 HB VAL A 114 11.187 -7.285 2.776 1.00 1.05 H new ATOM 0 HG11 VAL A 114 12.643 -7.296 4.769 1.00 2.00 H new ATOM 0 HG12 VAL A 114 12.380 -5.663 4.112 1.00 2.00 H new ATOM 0 HG13 VAL A 114 11.516 -6.182 5.579 1.00 2.00 H new ATOM 0 HG21 VAL A 114 10.957 -9.051 4.510 1.00 2.49 H new ATOM 0 HG22 VAL A 114 9.659 -8.104 5.275 1.00 2.49 H new ATOM 0 HG23 VAL A 114 9.438 -8.751 3.632 1.00 2.49 H new ATOM 1803 N LEU A 115 8.004 -5.961 5.282 1.00 1.03 N ATOM 1804 CA LEU A 115 7.176 -5.391 6.346 1.00 1.12 C ATOM 1805 C LEU A 115 6.405 -6.457 7.176 1.00 1.04 C ATOM 1806 O LEU A 115 5.917 -7.438 6.594 1.00 1.02 O ATOM 1807 CB LEU A 115 6.225 -4.308 5.795 1.00 1.42 C ATOM 1808 CG LEU A 115 5.398 -4.658 4.536 1.00 1.40 C ATOM 1809 CD1 LEU A 115 4.086 -3.864 4.526 1.00 2.52 C ATOM 1810 CD2 LEU A 115 6.168 -4.298 3.260 1.00 1.62 C ATOM 0 H LEU A 115 7.676 -6.874 4.968 1.00 1.03 H new ATOM 0 HA LEU A 115 7.868 -4.919 7.043 1.00 1.12 H new ATOM 0 HB2 LEU A 115 5.530 -4.035 6.589 1.00 1.42 H new ATOM 0 HB3 LEU A 115 6.818 -3.421 5.572 1.00 1.42 H new ATOM 0 HG LEU A 115 5.199 -5.729 4.563 1.00 1.40 H new ATOM 0 HD11 LEU A 115 3.513 -4.119 3.635 1.00 2.52 H new ATOM 0 HD12 LEU A 115 3.505 -4.111 5.414 1.00 2.52 H new ATOM 0 HD13 LEU A 115 4.307 -2.797 4.522 1.00 2.52 H new ATOM 0 HD21 LEU A 115 5.566 -4.553 2.388 1.00 1.62 H new ATOM 0 HD22 LEU A 115 6.382 -3.229 3.253 1.00 1.62 H new ATOM 0 HD23 LEU A 115 7.104 -4.855 3.231 1.00 1.62 H new ATOM 1822 N PRO A 116 6.226 -6.244 8.502 1.00 1.09 N ATOM 1823 CA PRO A 116 5.559 -7.170 9.418 1.00 1.07 C ATOM 1824 C PRO A 116 4.025 -7.125 9.363 1.00 1.11 C ATOM 1825 O PRO A 116 3.413 -6.134 8.958 1.00 1.24 O ATOM 1826 CB PRO A 116 6.062 -6.796 10.814 1.00 1.13 C ATOM 1827 CG PRO A 116 6.306 -5.296 10.696 1.00 1.23 C ATOM 1828 CD PRO A 116 6.853 -5.180 9.276 1.00 1.20 C ATOM 0 HA PRO A 116 5.801 -8.194 9.135 1.00 1.07 H new ATOM 0 HB2 PRO A 116 5.326 -7.026 11.584 1.00 1.13 H new ATOM 0 HB3 PRO A 116 6.974 -7.335 11.073 1.00 1.13 H new ATOM 0 HG2 PRO A 116 5.390 -4.721 10.830 1.00 1.23 H new ATOM 0 HG3 PRO A 116 7.018 -4.938 11.439 1.00 1.23 H new ATOM 0 HD2 PRO A 116 6.623 -4.203 8.850 1.00 1.20 H new ATOM 0 HD3 PRO A 116 7.938 -5.283 9.269 1.00 1.20 H new ATOM 1836 N VAL A 117 3.409 -8.214 9.827 1.00 1.07 N ATOM 1837 CA VAL A 117 1.948 -8.368 9.970 1.00 1.07 C ATOM 1838 C VAL A 117 1.547 -8.283 11.452 1.00 1.17 C ATOM 1839 O VAL A 117 2.021 -9.079 12.263 1.00 1.20 O ATOM 1840 CB VAL A 117 1.477 -9.716 9.375 1.00 0.97 C ATOM 1841 CG1 VAL A 117 -0.052 -9.870 9.386 1.00 1.04 C ATOM 1842 CG2 VAL A 117 1.960 -9.898 7.923 1.00 0.99 C ATOM 0 H VAL A 117 3.924 -9.043 10.125 1.00 1.07 H new ATOM 0 HA VAL A 117 1.465 -7.559 9.422 1.00 1.07 H new ATOM 0 HB VAL A 117 1.917 -10.478 10.018 1.00 0.97 H new ATOM 0 HG11 VAL A 117 -0.324 -10.834 8.957 1.00 1.04 H new ATOM 0 HG12 VAL A 117 -0.416 -9.814 10.412 1.00 1.04 H new ATOM 0 HG13 VAL A 117 -0.502 -9.071 8.797 1.00 1.04 H new ATOM 0 HG21 VAL A 117 1.609 -10.856 7.540 1.00 0.99 H new ATOM 0 HG22 VAL A 117 1.564 -9.093 7.304 1.00 0.99 H new ATOM 0 HG23 VAL A 117 3.049 -9.874 7.896 1.00 0.99 H new ATOM 1852 N GLU A 118 0.632 -7.373 11.804 1.00 1.35 N ATOM 1853 CA GLU A 118 0.070 -7.242 13.156 1.00 1.55 C ATOM 1854 C GLU A 118 -1.453 -7.054 13.107 1.00 1.63 C ATOM 1855 O GLU A 118 -1.984 -6.339 12.259 1.00 1.94 O ATOM 1856 CB GLU A 118 0.679 -6.048 13.908 1.00 1.90 C ATOM 1857 CG GLU A 118 2.087 -6.256 14.473 1.00 2.25 C ATOM 1858 CD GLU A 118 2.388 -5.146 15.483 1.00 2.71 C ATOM 1859 OE1 GLU A 118 1.972 -5.299 16.654 1.00 3.72 O ATOM 1860 OE2 GLU A 118 2.947 -4.107 15.075 1.00 2.99 O ATOM 0 H GLU A 118 0.253 -6.693 11.145 1.00 1.35 H new ATOM 0 HA GLU A 118 0.313 -8.165 13.683 1.00 1.55 H new ATOM 0 HB2 GLU A 118 0.703 -5.193 13.232 1.00 1.90 H new ATOM 0 HB3 GLU A 118 0.014 -5.785 14.731 1.00 1.90 H new ATOM 0 HG2 GLU A 118 2.159 -7.232 14.953 1.00 2.25 H new ATOM 0 HG3 GLU A 118 2.822 -6.242 13.668 1.00 2.25 H new ATOM 1867 N ALA A 119 -2.174 -7.633 14.071 1.00 1.79 N ATOM 1868 CA ALA A 119 -3.616 -7.441 14.230 1.00 1.89 C ATOM 1869 C ALA A 119 -3.929 -6.136 14.994 1.00 2.15 C ATOM 1870 O ALA A 119 -4.531 -6.160 16.067 1.00 2.69 O ATOM 1871 CB ALA A 119 -4.203 -8.696 14.891 1.00 2.05 C ATOM 0 H ALA A 119 -1.767 -8.255 14.770 1.00 1.79 H new ATOM 0 HA ALA A 119 -4.093 -7.318 13.258 1.00 1.89 H new ATOM 0 HB1 ALA A 119 -5.278 -8.571 15.018 1.00 2.05 H new ATOM 0 HB2 ALA A 119 -4.010 -9.564 14.260 1.00 2.05 H new ATOM 0 HB3 ALA A 119 -3.738 -8.846 15.865 1.00 2.05 H new ATOM 1877 N ARG A 120 -3.484 -4.998 14.445 1.00 2.18 N ATOM 1878 CA ARG A 120 -3.547 -3.667 15.080 1.00 2.65 C ATOM 1879 C ARG A 120 -3.859 -2.532 14.111 1.00 2.94 C ATOM 1880 O ARG A 120 -4.056 -2.787 12.911 1.00 3.21 O ATOM 1881 CB ARG A 120 -2.223 -3.406 15.813 1.00 3.22 C ATOM 1882 CG ARG A 120 -1.093 -2.994 14.842 1.00 3.07 C ATOM 1883 CD ARG A 120 0.201 -2.644 15.571 1.00 3.83 C ATOM 1884 NE ARG A 120 0.154 -1.529 16.538 1.00 4.42 N ATOM 1885 CZ ARG A 120 -0.602 -0.450 16.611 1.00 4.90 C ATOM 1886 NH1 ARG A 120 -1.634 -0.182 15.859 1.00 4.97 N ATOM 1887 NH2 ARG A 120 -0.324 0.438 17.521 1.00 6.23 N ATOM 1888 OXT ARG A 120 -3.876 -1.363 14.547 1.00 3.71 O ATOM 0 H ARG A 120 -3.057 -4.973 13.519 1.00 2.18 H new ATOM 0 HA ARG A 120 -4.381 -3.682 15.781 1.00 2.65 H new ATOM 0 HB2 ARG A 120 -2.368 -2.620 16.554 1.00 3.22 H new ATOM 0 HB3 ARG A 120 -1.926 -4.304 16.355 1.00 3.22 H new ATOM 0 HG2 ARG A 120 -0.904 -3.808 14.142 1.00 3.07 H new ATOM 0 HG3 ARG A 120 -1.418 -2.137 14.253 1.00 3.07 H new ATOM 0 HD2 ARG A 120 0.542 -3.534 16.099 1.00 3.83 H new ATOM 0 HD3 ARG A 120 0.957 -2.409 14.822 1.00 3.83 H new ATOM 0 HE ARG A 120 0.835 -1.608 17.293 1.00 4.42 H new ATOM 0 HH11 ARG A 120 -1.921 -0.839 15.133 1.00 4.97 H new ATOM 0 HH12 ARG A 120 -2.154 0.684 15.997 1.00 4.97 H new ATOM 0 HH21 ARG A 120 0.461 0.290 18.155 1.00 6.23 H new ATOM 0 HH22 ARG A 120 -0.892 1.282 17.600 1.00 6.23 H new TER 1902 ARG A 120 HETATM 1903 CU CU1 A 121 -8.592 -0.764 0.535 1.00 0.72 CU