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+ -99:sc= 0.133 (180deg=0) USER MOD Single : A 2 SER OG : rot 64:sc= 1.24 USER MOD Single : A 4 THR OG1 : rot -50:sc= 0.803 USER MOD Single : A 11 SER OG : rot -161:sc= 0.817 USER MOD Single : A 15 ASN : amide:sc= -1.54 K(o=-1.5,f=-0.0018) USER MOD Single : A 19 TYR OH : rot 100:sc= 0 USER MOD Single : A 21 THR OG1 : rot 86:sc= 0.32 USER MOD Single : A 24 ASN : amide:sc= 0.205 K(o=0.2,f=-1.2) USER MOD Single : A 37 THR OG1 : rot 81:sc= -0.104 USER MOD Single : A 48 THR OG1 : rot 2:sc= 1.01 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -163:sc= 0.274 (180deg=-1.28!) USER MOD Single : A 57 LYS NZ :NH3+ 157:sc= 1.22 (180deg=-0.22) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -170:sc= 0 (180deg=-0.196) USER MOD Single : A 72 LYS NZ :NH3+ -119:sc= 0.0503 (180deg=-0.0502!) USER MOD Single : A 78 LYS NZ :NH3+ -132:sc= 1.26 (180deg=0.724) 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+ -158:sc= 0.252 (180deg=-1.21!) USER MOD Single : A 94 LYS NZ :NH3+ 150:sc= 1.61 (180deg=-0.325) USER MOD Single : A 109 LYS NZ :NH3+ -167:sc= 1.19 (180deg=1.07) USER MOD Single : A 112 LYS NZ :NH3+ -176:sc= 0.744 (180deg=0.598) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.148 -1.839 17.464 1.00 9.24 N ATOM 2 CA GLY A 1 5.328 -1.242 16.409 1.00 9.18 C ATOM 3 C GLY A 1 5.439 0.265 16.416 1.00 8.81 C ATOM 4 O GLY A 1 5.850 0.815 17.432 1.00 9.14 O ATOM 0 H1 GLY A 1 7.046 -2.173 17.059 1.00 9.24 H new ATOM 0 H2 GLY A 1 6.342 -1.128 18.197 1.00 9.24 H new ATOM 0 H3 GLY A 1 5.639 -2.642 17.887 1.00 9.24 H new ATOM 0 HA2 GLY A 1 5.642 -1.628 15.439 1.00 9.18 H new ATOM 0 HA3 GLY A 1 4.287 -1.533 16.546 1.00 9.18 H new ATOM 10 N SER A 2 5.100 0.883 15.289 1.00 8.53 N ATOM 11 CA SER A 2 4.999 2.313 14.904 1.00 8.50 C ATOM 12 C SER A 2 5.351 2.523 13.419 1.00 7.87 C ATOM 13 O SER A 2 4.673 3.292 12.748 1.00 8.93 O ATOM 14 CB SER A 2 5.832 3.277 15.764 1.00 9.16 C ATOM 15 OG SER A 2 5.317 3.378 17.074 1.00 10.25 O ATOM 0 H SER A 2 4.846 0.307 14.486 1.00 8.53 H new ATOM 0 HA SER A 2 3.953 2.562 15.085 1.00 8.50 H new ATOM 0 HB2 SER A 2 6.865 2.931 15.804 1.00 9.16 H new ATOM 0 HB3 SER A 2 5.844 4.263 15.300 1.00 9.16 H new ATOM 0 HG SER A 2 5.391 2.510 17.523 1.00 10.25 H new ATOM 21 N PHE A 3 6.381 1.826 12.913 1.00 6.70 N ATOM 22 CA PHE A 3 6.952 1.981 11.567 1.00 6.69 C ATOM 23 C PHE A 3 7.578 0.667 11.040 1.00 5.45 C ATOM 24 O PHE A 3 8.691 0.663 10.513 1.00 6.20 O ATOM 25 CB PHE A 3 7.989 3.122 11.561 1.00 7.87 C ATOM 26 CG PHE A 3 7.466 4.509 11.875 1.00 9.02 C ATOM 27 CD1 PHE A 3 6.881 5.279 10.853 1.00 10.14 C ATOM 28 CD2 PHE A 3 7.580 5.039 13.172 1.00 9.39 C ATOM 29 CE1 PHE A 3 6.416 6.577 11.127 1.00 11.46 C ATOM 30 CE2 PHE A 3 7.113 6.338 13.448 1.00 10.71 C ATOM 31 CZ PHE A 3 6.533 7.107 12.424 1.00 11.68 C ATOM 0 H PHE A 3 6.859 1.107 13.456 1.00 6.70 H new ATOM 0 HA PHE A 3 6.136 2.235 10.890 1.00 6.69 H new ATOM 0 HB2 PHE A 3 8.768 2.879 12.283 1.00 7.87 H new ATOM 0 HB3 PHE A 3 8.462 3.149 10.579 1.00 7.87 H new ATOM 0 HD1 PHE A 3 6.789 4.872 9.857 1.00 10.14 H new ATOM 0 HD2 PHE A 3 8.027 4.448 13.958 1.00 9.39 H new ATOM 0 HE1 PHE A 3 5.969 7.167 10.341 1.00 11.46 H new ATOM 0 HE2 PHE A 3 7.200 6.743 14.445 1.00 10.71 H new ATOM 0 HZ PHE A 3 6.177 8.105 12.634 1.00 11.68 H new ATOM 41 N THR A 4 6.893 -0.472 11.218 1.00 4.17 N ATOM 42 CA THR A 4 7.398 -1.839 10.961 1.00 3.73 C ATOM 43 C THR A 4 6.283 -2.892 10.871 1.00 2.53 C ATOM 44 O THR A 4 6.459 -4.050 11.239 1.00 3.10 O ATOM 45 CB THR A 4 8.493 -2.176 11.979 1.00 4.93 C ATOM 46 OG1 THR A 4 9.050 -3.415 11.641 1.00 5.38 O ATOM 47 CG2 THR A 4 8.017 -2.218 13.434 1.00 5.63 C ATOM 0 H THR A 4 5.932 -0.472 11.559 1.00 4.17 H new ATOM 0 HA THR A 4 7.847 -1.863 9.968 1.00 3.73 H new ATOM 0 HB THR A 4 9.224 -1.369 11.927 1.00 4.93 H new ATOM 0 HG1 THR A 4 8.333 -4.069 11.502 1.00 5.38 H new ATOM 0 HG21 THR A 4 8.856 -2.463 14.085 1.00 5.63 H new ATOM 0 HG22 THR A 4 7.614 -1.244 13.713 1.00 5.63 H new ATOM 0 HG23 THR A 4 7.241 -2.976 13.541 1.00 5.63 H new ATOM 55 N GLU A 5 5.122 -2.468 10.385 1.00 1.80 N ATOM 56 CA GLU A 5 3.865 -3.224 10.337 1.00 1.40 C ATOM 57 C GLU A 5 2.922 -2.722 9.223 1.00 1.47 C ATOM 58 O GLU A 5 3.227 -1.743 8.538 1.00 2.10 O ATOM 59 CB GLU A 5 3.177 -3.106 11.707 1.00 1.95 C ATOM 60 CG GLU A 5 2.952 -1.635 12.101 1.00 3.25 C ATOM 61 CD GLU A 5 3.831 -1.256 13.283 1.00 4.25 C ATOM 62 OE1 GLU A 5 3.452 -1.486 14.449 1.00 4.97 O ATOM 63 OE2 GLU A 5 4.938 -0.721 13.077 1.00 5.07 O ATOM 0 H GLU A 5 5.022 -1.533 9.989 1.00 1.80 H new ATOM 0 HA GLU A 5 4.094 -4.265 10.108 1.00 1.40 H new ATOM 0 HB2 GLU A 5 2.220 -3.627 11.681 1.00 1.95 H new ATOM 0 HB3 GLU A 5 3.787 -3.598 12.465 1.00 1.95 H new ATOM 0 HG2 GLU A 5 3.175 -0.988 11.253 1.00 3.25 H new ATOM 0 HG3 GLU A 5 1.904 -1.477 12.355 1.00 3.25 H new ATOM 70 N GLY A 6 1.758 -3.371 9.070 1.00 1.25 N ATOM 71 CA GLY A 6 0.665 -2.943 8.188 1.00 1.27 C ATOM 72 C GLY A 6 -0.725 -3.355 8.671 1.00 1.11 C ATOM 73 O GLY A 6 -0.852 -4.234 9.519 1.00 1.20 O ATOM 0 H GLY A 6 1.546 -4.233 9.572 1.00 1.25 H new ATOM 0 HA2 GLY A 6 0.696 -1.858 8.089 1.00 1.27 H new ATOM 0 HA3 GLY A 6 0.831 -3.359 7.194 1.00 1.27 H new ATOM 77 N TRP A 7 -1.747 -2.728 8.082 1.00 0.98 N ATOM 78 CA TRP A 7 -3.181 -2.967 8.284 1.00 0.84 C ATOM 79 C TRP A 7 -3.990 -2.479 7.066 1.00 0.69 C ATOM 80 O TRP A 7 -3.589 -1.543 6.367 1.00 0.78 O ATOM 81 CB TRP A 7 -3.671 -2.297 9.575 1.00 1.04 C ATOM 82 CG TRP A 7 -3.738 -0.800 9.532 1.00 1.09 C ATOM 83 CD1 TRP A 7 -4.858 -0.073 9.327 1.00 1.18 C ATOM 84 CD2 TRP A 7 -2.657 0.167 9.699 1.00 1.39 C ATOM 85 NE1 TRP A 7 -4.557 1.271 9.386 1.00 1.51 N ATOM 86 CE2 TRP A 7 -3.209 1.480 9.599 1.00 1.65 C ATOM 87 CE3 TRP A 7 -1.269 0.071 9.940 1.00 1.63 C ATOM 88 CZ2 TRP A 7 -2.423 2.636 9.731 1.00 2.10 C ATOM 89 CZ3 TRP A 7 -0.468 1.222 10.064 1.00 2.05 C ATOM 90 CH2 TRP A 7 -1.042 2.501 9.971 1.00 2.28 C ATOM 0 H TRP A 7 -1.583 -1.986 7.402 1.00 0.98 H new ATOM 0 HA TRP A 7 -3.337 -4.041 8.386 1.00 0.84 H new ATOM 0 HB2 TRP A 7 -4.663 -2.682 9.811 1.00 1.04 H new ATOM 0 HB3 TRP A 7 -3.012 -2.592 10.391 1.00 1.04 H new ATOM 0 HD1 TRP A 7 -5.840 -0.483 9.145 1.00 1.18 H new ATOM 0 HE1 TRP A 7 -5.244 2.018 9.285 1.00 1.51 H new ATOM 0 HE3 TRP A 7 -0.813 -0.904 10.031 1.00 1.63 H new ATOM 0 HZ2 TRP A 7 -2.871 3.615 9.650 1.00 2.10 H new ATOM 0 HZ3 TRP A 7 0.594 1.121 10.232 1.00 2.05 H new ATOM 0 HH2 TRP A 7 -0.425 3.380 10.083 1.00 2.28 H new ATOM 101 N VAL A 8 -5.140 -3.091 6.796 1.00 0.73 N ATOM 102 CA VAL A 8 -5.991 -2.734 5.644 1.00 0.76 C ATOM 103 C VAL A 8 -7.113 -1.792 6.097 1.00 0.83 C ATOM 104 O VAL A 8 -7.618 -1.927 7.209 1.00 0.89 O ATOM 105 CB VAL A 8 -6.548 -3.992 4.952 1.00 0.87 C ATOM 106 CG1 VAL A 8 -7.297 -3.657 3.654 1.00 1.02 C ATOM 107 CG2 VAL A 8 -5.458 -5.029 4.629 1.00 0.98 C ATOM 0 H VAL A 8 -5.516 -3.850 7.365 1.00 0.73 H new ATOM 0 HA VAL A 8 -5.383 -2.211 4.906 1.00 0.76 H new ATOM 0 HB VAL A 8 -7.242 -4.422 5.674 1.00 0.87 H new ATOM 0 HG11 VAL A 8 -7.671 -4.576 3.202 1.00 1.02 H new ATOM 0 HG12 VAL A 8 -8.134 -2.995 3.877 1.00 1.02 H new ATOM 0 HG13 VAL A 8 -6.618 -3.162 2.960 1.00 1.02 H new ATOM 0 HG21 VAL A 8 -5.911 -5.893 4.143 1.00 0.98 H new ATOM 0 HG22 VAL A 8 -4.718 -4.584 3.964 1.00 0.98 H new ATOM 0 HG23 VAL A 8 -4.972 -5.345 5.552 1.00 0.98 H new ATOM 117 N ARG A 9 -7.520 -0.844 5.241 1.00 0.87 N ATOM 118 CA ARG A 9 -8.474 0.236 5.562 1.00 1.02 C ATOM 119 C ARG A 9 -9.922 -0.229 5.826 1.00 1.36 C ATOM 120 O ARG A 9 -10.725 0.569 6.291 1.00 3.01 O ATOM 121 CB ARG A 9 -8.418 1.257 4.402 1.00 1.02 C ATOM 122 CG ARG A 9 -9.217 2.557 4.593 1.00 1.32 C ATOM 123 CD ARG A 9 -10.665 2.475 4.071 1.00 1.82 C ATOM 124 NE ARG A 9 -11.611 3.041 5.044 1.00 2.55 N ATOM 125 CZ ARG A 9 -12.916 2.842 5.136 1.00 3.74 C ATOM 126 NH1 ARG A 9 -13.599 2.082 4.311 1.00 4.51 N ATOM 127 NH2 ARG A 9 -13.547 3.429 6.121 1.00 4.68 N ATOM 0 H ARG A 9 -7.187 -0.803 4.278 1.00 0.87 H new ATOM 0 HA ARG A 9 -8.170 0.679 6.510 1.00 1.02 H new ATOM 0 HB2 ARG A 9 -7.374 1.520 4.229 1.00 1.02 H new ATOM 0 HB3 ARG A 9 -8.777 0.766 3.498 1.00 1.02 H new ATOM 0 HG2 ARG A 9 -9.236 2.809 5.653 1.00 1.32 H new ATOM 0 HG3 ARG A 9 -8.701 3.369 4.081 1.00 1.32 H new ATOM 0 HD2 ARG A 9 -10.745 3.012 3.126 1.00 1.82 H new ATOM 0 HD3 ARG A 9 -10.924 1.436 3.870 1.00 1.82 H new ATOM 0 HE ARG A 9 -11.209 3.669 5.739 1.00 2.55 H new ATOM 0 HH11 ARG A 9 -13.123 1.605 3.545 1.00 4.51 H new ATOM 0 HH12 ARG A 9 -14.605 1.969 4.436 1.00 4.51 H new ATOM 0 HH21 ARG A 9 -13.032 4.013 6.780 1.00 4.68 H new ATOM 0 HH22 ARG A 9 -14.553 3.303 6.229 1.00 4.68 H new ATOM 141 N PHE A 10 -10.280 -1.462 5.447 1.00 0.76 N ATOM 142 CA PHE A 10 -11.630 -2.028 5.448 1.00 0.74 C ATOM 143 C PHE A 10 -12.511 -1.560 4.270 1.00 0.90 C ATOM 144 O PHE A 10 -12.445 -0.422 3.812 1.00 1.20 O ATOM 145 CB PHE A 10 -12.292 -1.901 6.843 1.00 0.84 C ATOM 146 CG PHE A 10 -13.648 -1.221 6.908 1.00 1.02 C ATOM 147 CD1 PHE A 10 -14.801 -1.932 6.535 1.00 1.71 C ATOM 148 CD2 PHE A 10 -13.773 0.108 7.357 1.00 2.90 C ATOM 149 CE1 PHE A 10 -16.062 -1.324 6.580 1.00 1.63 C ATOM 150 CE2 PHE A 10 -15.044 0.705 7.447 1.00 3.57 C ATOM 151 CZ PHE A 10 -16.188 -0.005 7.046 1.00 2.27 C ATOM 0 H PHE A 10 -9.588 -2.132 5.110 1.00 0.76 H new ATOM 0 HA PHE A 10 -11.525 -3.096 5.259 1.00 0.74 H new ATOM 0 HB2 PHE A 10 -12.396 -2.903 7.260 1.00 0.84 H new ATOM 0 HB3 PHE A 10 -11.608 -1.355 7.493 1.00 0.84 H new ATOM 0 HD1 PHE A 10 -14.714 -2.958 6.210 1.00 1.71 H new ATOM 0 HD2 PHE A 10 -12.893 0.669 7.632 1.00 2.90 H new ATOM 0 HE1 PHE A 10 -16.937 -1.869 6.257 1.00 1.63 H new ATOM 0 HE2 PHE A 10 -15.140 1.712 7.825 1.00 3.57 H new ATOM 0 HZ PHE A 10 -17.161 0.462 7.096 1.00 2.27 H new ATOM 161 N SER A 11 -13.370 -2.468 3.808 1.00 1.00 N ATOM 162 CA SER A 11 -14.521 -2.262 2.918 1.00 1.31 C ATOM 163 C SER A 11 -15.263 -3.591 2.665 1.00 1.66 C ATOM 164 O SER A 11 -14.610 -4.583 2.341 1.00 1.86 O ATOM 165 CB SER A 11 -14.077 -1.709 1.560 1.00 1.50 C ATOM 166 OG SER A 11 -15.158 -1.630 0.651 1.00 2.72 O ATOM 0 H SER A 11 -13.274 -3.450 4.066 1.00 1.00 H new ATOM 0 HA SER A 11 -15.180 -1.549 3.413 1.00 1.31 H new ATOM 0 HB2 SER A 11 -13.641 -0.719 1.695 1.00 1.50 H new ATOM 0 HB3 SER A 11 -13.297 -2.347 1.144 1.00 1.50 H new ATOM 0 HG SER A 11 -14.812 -1.572 -0.264 1.00 2.72 H new ATOM 172 N PRO A 12 -16.608 -3.629 2.753 1.00 1.99 N ATOM 173 CA PRO A 12 -17.402 -4.796 2.377 1.00 2.39 C ATOM 174 C PRO A 12 -17.663 -4.858 0.862 1.00 2.30 C ATOM 175 O PRO A 12 -18.152 -5.875 0.379 1.00 3.19 O ATOM 176 CB PRO A 12 -18.713 -4.619 3.145 1.00 2.82 C ATOM 177 CG PRO A 12 -18.919 -3.105 3.106 1.00 2.68 C ATOM 178 CD PRO A 12 -17.495 -2.549 3.175 1.00 2.16 C ATOM 0 HA PRO A 12 -16.888 -5.727 2.617 1.00 2.39 H new ATOM 0 HB2 PRO A 12 -19.536 -5.153 2.670 1.00 2.82 H new ATOM 0 HB3 PRO A 12 -18.638 -4.992 4.166 1.00 2.82 H new ATOM 0 HG2 PRO A 12 -19.428 -2.793 2.194 1.00 2.68 H new ATOM 0 HG3 PRO A 12 -19.525 -2.761 3.944 1.00 2.68 H new ATOM 0 HD2 PRO A 12 -17.386 -1.681 2.525 1.00 2.16 H new ATOM 0 HD3 PRO A 12 -17.255 -2.222 4.187 1.00 2.16 H new ATOM 186 N GLY A 13 -17.366 -3.777 0.124 1.00 1.45 N ATOM 187 CA GLY A 13 -17.526 -3.683 -1.326 1.00 1.44 C ATOM 188 C GLY A 13 -16.246 -4.076 -2.078 1.00 1.06 C ATOM 189 O GLY A 13 -15.188 -4.199 -1.460 1.00 1.06 O ATOM 0 H GLY A 13 -16.997 -2.921 0.538 1.00 1.45 H new ATOM 0 HA2 GLY A 13 -18.344 -4.330 -1.642 1.00 1.44 H new ATOM 0 HA3 GLY A 13 -17.804 -2.664 -1.594 1.00 1.44 H new ATOM 193 N PRO A 14 -16.324 -4.243 -3.414 1.00 1.13 N ATOM 194 CA PRO A 14 -15.253 -4.801 -4.248 1.00 1.09 C ATOM 195 C PRO A 14 -13.974 -3.958 -4.300 1.00 0.79 C ATOM 196 O PRO A 14 -12.932 -4.466 -4.716 1.00 0.96 O ATOM 197 CB PRO A 14 -15.856 -4.943 -5.649 1.00 1.34 C ATOM 198 CG PRO A 14 -16.999 -3.930 -5.671 1.00 1.49 C ATOM 199 CD PRO A 14 -17.495 -3.950 -4.228 1.00 1.54 C ATOM 0 HA PRO A 14 -14.926 -5.748 -3.818 1.00 1.09 H new ATOM 0 HB2 PRO A 14 -15.119 -4.729 -6.423 1.00 1.34 H new ATOM 0 HB3 PRO A 14 -16.218 -5.956 -5.826 1.00 1.34 H new ATOM 0 HG2 PRO A 14 -16.656 -2.939 -5.967 1.00 1.49 H new ATOM 0 HG3 PRO A 14 -17.782 -4.219 -6.372 1.00 1.49 H new ATOM 0 HD2 PRO A 14 -17.934 -2.992 -3.952 1.00 1.54 H new ATOM 0 HD3 PRO A 14 -18.267 -4.707 -4.090 1.00 1.54 H new ATOM 207 N ASN A 15 -14.036 -2.693 -3.887 1.00 0.69 N ATOM 208 CA ASN A 15 -12.901 -1.802 -3.747 1.00 0.75 C ATOM 209 C ASN A 15 -12.437 -1.666 -2.283 1.00 0.65 C ATOM 210 O ASN A 15 -13.247 -1.473 -1.373 1.00 0.89 O ATOM 211 CB ASN A 15 -13.321 -0.413 -4.245 1.00 1.39 C ATOM 212 CG ASN A 15 -14.158 -0.433 -5.516 1.00 1.52 C ATOM 213 OD1 ASN A 15 -15.378 -0.459 -5.478 1.00 2.67 O ATOM 214 ND2 ASN A 15 -13.528 -0.435 -6.671 1.00 2.01 N ATOM 0 H ASN A 15 -14.918 -2.249 -3.632 1.00 0.69 H new ATOM 0 HA ASN A 15 -12.075 -2.216 -4.325 1.00 0.75 H new ATOM 0 HB2 ASN A 15 -13.887 0.087 -3.459 1.00 1.39 H new ATOM 0 HB3 ASN A 15 -12.426 0.183 -4.422 1.00 1.39 H new ATOM 0 HD21 ASN A 15 -14.059 -0.458 -7.542 1.00 2.01 H new ATOM 0 HD22 ASN A 15 -12.509 -0.413 -6.696 1.00 2.01 H new ATOM 221 N ALA A 16 -11.118 -1.621 -2.086 1.00 0.52 N ATOM 222 CA ALA A 16 -10.438 -1.338 -0.815 1.00 0.51 C ATOM 223 C ALA A 16 -9.065 -0.660 -1.033 1.00 0.50 C ATOM 224 O ALA A 16 -8.678 -0.352 -2.161 1.00 0.48 O ATOM 225 CB ALA A 16 -10.349 -2.632 0.015 1.00 0.55 C ATOM 0 H ALA A 16 -10.459 -1.789 -2.846 1.00 0.52 H new ATOM 0 HA ALA A 16 -11.024 -0.615 -0.247 1.00 0.51 H new ATOM 0 HB1 ALA A 16 -9.845 -2.425 0.959 1.00 0.55 H new ATOM 0 HB2 ALA A 16 -11.353 -3.006 0.215 1.00 0.55 H new ATOM 0 HB3 ALA A 16 -9.786 -3.382 -0.540 1.00 0.55 H new ATOM 231 N ALA A 17 -8.338 -0.407 0.058 1.00 0.54 N ATOM 232 CA ALA A 17 -7.018 0.235 0.101 1.00 0.55 C ATOM 233 C ALA A 17 -6.243 -0.233 1.352 1.00 0.65 C ATOM 234 O ALA A 17 -6.864 -0.465 2.392 1.00 0.79 O ATOM 235 CB ALA A 17 -7.220 1.752 0.146 1.00 0.61 C ATOM 0 H ALA A 17 -8.672 -0.658 0.989 1.00 0.54 H new ATOM 0 HA ALA A 17 -6.441 -0.038 -0.783 1.00 0.55 H new ATOM 0 HB1 ALA A 17 -6.250 2.247 0.178 1.00 0.61 H new ATOM 0 HB2 ALA A 17 -7.762 2.073 -0.743 1.00 0.61 H new ATOM 0 HB3 ALA A 17 -7.792 2.017 1.035 1.00 0.61 H new ATOM 241 N ALA A 18 -4.911 -0.348 1.295 1.00 0.66 N ATOM 242 CA ALA A 18 -4.086 -0.927 2.367 1.00 0.72 C ATOM 243 C ALA A 18 -2.798 -0.133 2.656 1.00 0.67 C ATOM 244 O ALA A 18 -2.202 0.457 1.751 1.00 0.67 O ATOM 245 CB ALA A 18 -3.755 -2.379 1.993 1.00 0.81 C ATOM 0 H ALA A 18 -4.366 -0.037 0.491 1.00 0.66 H new ATOM 0 HA ALA A 18 -4.664 -0.884 3.290 1.00 0.72 H new ATOM 0 HB1 ALA A 18 -3.143 -2.826 2.776 1.00 0.81 H new ATOM 0 HB2 ALA A 18 -4.679 -2.947 1.886 1.00 0.81 H new ATOM 0 HB3 ALA A 18 -3.207 -2.396 1.051 1.00 0.81 H new ATOM 251 N TYR A 19 -2.358 -0.186 3.916 1.00 0.68 N ATOM 252 CA TYR A 19 -1.103 0.385 4.420 1.00 0.70 C ATOM 253 C TYR A 19 -0.194 -0.736 4.947 1.00 0.84 C ATOM 254 O TYR A 19 -0.690 -1.673 5.574 1.00 1.56 O ATOM 255 CB TYR A 19 -1.425 1.367 5.560 1.00 0.91 C ATOM 256 CG TYR A 19 -2.625 2.251 5.287 1.00 1.13 C ATOM 257 CD1 TYR A 19 -2.554 3.254 4.303 1.00 1.60 C ATOM 258 CD2 TYR A 19 -3.840 2.002 5.955 1.00 2.67 C ATOM 259 CE1 TYR A 19 -3.699 4.014 3.992 1.00 1.71 C ATOM 260 CE2 TYR A 19 -4.988 2.754 5.649 1.00 3.01 C ATOM 261 CZ TYR A 19 -4.916 3.763 4.663 1.00 1.89 C ATOM 262 OH TYR A 19 -6.029 4.481 4.349 1.00 2.32 O ATOM 0 H TYR A 19 -2.893 -0.651 4.650 1.00 0.68 H new ATOM 0 HA TYR A 19 -0.589 0.908 3.614 1.00 0.70 H new ATOM 0 HB2 TYR A 19 -1.603 0.801 6.474 1.00 0.91 H new ATOM 0 HB3 TYR A 19 -0.555 1.998 5.740 1.00 0.91 H new ATOM 0 HD1 TYR A 19 -1.624 3.441 3.787 1.00 1.60 H new ATOM 0 HD2 TYR A 19 -3.890 1.228 6.707 1.00 2.67 H new ATOM 0 HE1 TYR A 19 -3.646 4.788 3.241 1.00 1.71 H new ATOM 0 HE2 TYR A 19 -5.918 2.562 6.164 1.00 3.01 H new ATOM 0 HH TYR A 19 -6.600 3.955 3.752 1.00 2.32 H new ATOM 272 N LEU A 20 1.123 -0.634 4.744 1.00 0.94 N ATOM 273 CA LEU A 20 2.116 -1.608 5.224 1.00 0.95 C ATOM 274 C LEU A 20 3.553 -1.096 5.136 1.00 0.90 C ATOM 275 O LEU A 20 3.855 -0.147 4.410 1.00 0.86 O ATOM 276 CB LEU A 20 1.930 -3.040 4.639 1.00 1.17 C ATOM 277 CG LEU A 20 2.113 -3.318 3.132 1.00 1.35 C ATOM 278 CD1 LEU A 20 1.130 -2.551 2.243 1.00 2.86 C ATOM 279 CD2 LEU A 20 3.546 -3.107 2.628 1.00 1.93 C ATOM 0 H LEU A 20 1.540 0.143 4.231 1.00 0.94 H new ATOM 0 HA LEU A 20 1.911 -1.717 6.289 1.00 0.95 H new ATOM 0 HB2 LEU A 20 2.623 -3.693 5.170 1.00 1.17 H new ATOM 0 HB3 LEU A 20 0.923 -3.363 4.902 1.00 1.17 H new ATOM 0 HG LEU A 20 1.887 -4.381 3.045 1.00 1.35 H new ATOM 0 HD11 LEU A 20 1.318 -2.796 1.198 1.00 2.86 H new ATOM 0 HD12 LEU A 20 0.109 -2.831 2.504 1.00 2.86 H new ATOM 0 HD13 LEU A 20 1.262 -1.480 2.394 1.00 2.86 H new ATOM 0 HD21 LEU A 20 3.592 -3.323 1.561 1.00 1.93 H new ATOM 0 HD22 LEU A 20 3.845 -2.073 2.803 1.00 1.93 H new ATOM 0 HD23 LEU A 20 4.222 -3.775 3.162 1.00 1.93 H new ATOM 291 N THR A 21 4.434 -1.731 5.913 1.00 1.06 N ATOM 292 CA THR A 21 5.816 -1.312 6.133 1.00 1.08 C ATOM 293 C THR A 21 6.744 -2.517 6.082 1.00 1.41 C ATOM 294 O THR A 21 6.356 -3.614 6.478 1.00 1.71 O ATOM 295 CB THR A 21 5.944 -0.582 7.476 1.00 1.28 C ATOM 296 OG1 THR A 21 4.963 0.419 7.563 1.00 1.95 O ATOM 297 CG2 THR A 21 7.321 0.072 7.614 1.00 1.95 C ATOM 0 H THR A 21 4.194 -2.581 6.423 1.00 1.06 H new ATOM 0 HA THR A 21 6.106 -0.621 5.341 1.00 1.08 H new ATOM 0 HB THR A 21 5.814 -1.314 8.273 1.00 1.28 H new ATOM 0 HG1 THR A 21 4.132 0.033 7.910 1.00 1.95 H new ATOM 0 HG21 THR A 21 7.386 0.583 8.575 1.00 1.95 H new ATOM 0 HG22 THR A 21 8.095 -0.694 7.557 1.00 1.95 H new ATOM 0 HG23 THR A 21 7.464 0.793 6.809 1.00 1.95 H new ATOM 305 N LEU A 22 7.969 -2.304 5.595 1.00 1.77 N ATOM 306 CA LEU A 22 9.000 -3.339 5.423 1.00 2.33 C ATOM 307 C LEU A 22 10.384 -2.685 5.414 1.00 1.74 C ATOM 308 O LEU A 22 10.576 -1.692 4.712 1.00 1.85 O ATOM 309 CB LEU A 22 8.746 -4.107 4.102 1.00 3.36 C ATOM 310 CG LEU A 22 8.986 -5.631 4.122 1.00 4.54 C ATOM 311 CD1 LEU A 22 10.390 -6.029 4.585 1.00 4.48 C ATOM 312 CD2 LEU A 22 7.932 -6.343 4.974 1.00 5.52 C ATOM 0 H LEU A 22 8.284 -1.380 5.300 1.00 1.77 H new ATOM 0 HA LEU A 22 8.956 -4.047 6.250 1.00 2.33 H new ATOM 0 HB2 LEU A 22 7.714 -3.930 3.800 1.00 3.36 H new ATOM 0 HB3 LEU A 22 9.382 -3.674 3.330 1.00 3.36 H new ATOM 0 HG LEU A 22 8.896 -5.953 3.085 1.00 4.54 H new ATOM 0 HD11 LEU A 22 10.483 -7.115 4.573 1.00 4.48 H new ATOM 0 HD12 LEU A 22 11.131 -5.594 3.915 1.00 4.48 H new ATOM 0 HD13 LEU A 22 10.557 -5.662 5.598 1.00 4.48 H new ATOM 0 HD21 LEU A 22 8.125 -7.416 4.970 1.00 5.52 H new ATOM 0 HD22 LEU A 22 7.978 -5.969 5.997 1.00 5.52 H new ATOM 0 HD23 LEU A 22 6.941 -6.152 4.562 1.00 5.52 H new ATOM 324 N GLU A 23 11.361 -3.223 6.139 1.00 1.75 N ATOM 325 CA GLU A 23 12.737 -2.695 6.139 1.00 1.36 C ATOM 326 C GLU A 23 13.626 -3.383 5.097 1.00 1.31 C ATOM 327 O GLU A 23 13.391 -4.531 4.727 1.00 1.61 O ATOM 328 CB GLU A 23 13.368 -2.748 7.543 1.00 1.88 C ATOM 329 CG GLU A 23 12.625 -1.864 8.567 1.00 2.78 C ATOM 330 CD GLU A 23 13.552 -0.903 9.317 1.00 4.12 C ATOM 331 OE1 GLU A 23 14.435 -1.382 10.054 1.00 4.65 O ATOM 332 OE2 GLU A 23 13.344 0.324 9.169 1.00 5.30 O ATOM 0 H GLU A 23 11.230 -4.034 6.743 1.00 1.75 H new ATOM 0 HA GLU A 23 12.667 -1.646 5.850 1.00 1.36 H new ATOM 0 HB2 GLU A 23 13.372 -3.779 7.896 1.00 1.88 H new ATOM 0 HB3 GLU A 23 14.408 -2.428 7.481 1.00 1.88 H new ATOM 0 HG2 GLU A 23 11.856 -1.289 8.051 1.00 2.78 H new ATOM 0 HG3 GLU A 23 12.115 -2.504 9.287 1.00 2.78 H new ATOM 339 N ASN A 24 14.670 -2.683 4.632 1.00 1.06 N ATOM 340 CA ASN A 24 15.719 -3.226 3.767 1.00 1.00 C ATOM 341 C ASN A 24 17.014 -3.442 4.575 1.00 1.07 C ATOM 342 O ASN A 24 17.908 -2.596 4.535 1.00 1.28 O ATOM 343 CB ASN A 24 15.965 -2.280 2.571 1.00 0.95 C ATOM 344 CG ASN A 24 16.827 -2.936 1.490 1.00 1.02 C ATOM 345 OD1 ASN A 24 17.024 -4.144 1.458 1.00 1.59 O ATOM 346 ND2 ASN A 24 17.359 -2.161 0.567 1.00 0.92 N ATOM 0 H ASN A 24 14.809 -1.697 4.855 1.00 1.06 H new ATOM 0 HA ASN A 24 15.395 -4.191 3.377 1.00 1.00 H new ATOM 0 HB2 ASN A 24 15.009 -1.983 2.141 1.00 0.95 H new ATOM 0 HB3 ASN A 24 16.453 -1.371 2.922 1.00 0.95 H new ATOM 0 HD21 ASN A 24 17.933 -2.568 -0.172 1.00 0.92 H new ATOM 0 HD22 ASN A 24 17.197 -1.154 0.591 1.00 0.92 H new ATOM 353 N PRO A 25 17.161 -4.570 5.294 1.00 1.24 N ATOM 354 CA PRO A 25 18.389 -4.882 6.022 1.00 1.42 C ATOM 355 C PRO A 25 19.565 -5.258 5.105 1.00 1.22 C ATOM 356 O PRO A 25 20.674 -5.443 5.606 1.00 1.37 O ATOM 357 CB PRO A 25 18.008 -6.041 6.951 1.00 1.82 C ATOM 358 CG PRO A 25 16.921 -6.768 6.159 1.00 1.84 C ATOM 359 CD PRO A 25 16.169 -5.615 5.507 1.00 1.56 C ATOM 0 HA PRO A 25 18.749 -4.008 6.565 1.00 1.42 H new ATOM 0 HB2 PRO A 25 18.859 -6.689 7.158 1.00 1.82 H new ATOM 0 HB3 PRO A 25 17.638 -5.684 7.912 1.00 1.82 H new ATOM 0 HG2 PRO A 25 17.343 -7.448 5.419 1.00 1.84 H new ATOM 0 HG3 PRO A 25 16.275 -7.361 6.806 1.00 1.84 H new ATOM 0 HD2 PRO A 25 15.718 -5.925 4.564 1.00 1.56 H new ATOM 0 HD3 PRO A 25 15.360 -5.263 6.147 1.00 1.56 H new ATOM 367 N GLY A 26 19.362 -5.363 3.784 1.00 1.03 N ATOM 368 CA GLY A 26 20.404 -5.663 2.816 1.00 1.03 C ATOM 369 C GLY A 26 21.202 -4.430 2.405 1.00 0.95 C ATOM 370 O GLY A 26 20.881 -3.287 2.713 1.00 1.24 O ATOM 0 H GLY A 26 18.444 -5.237 3.358 1.00 1.03 H new ATOM 0 HA2 GLY A 26 21.082 -6.405 3.237 1.00 1.03 H new ATOM 0 HA3 GLY A 26 19.953 -6.110 1.930 1.00 1.03 H new ATOM 374 N ASP A 27 22.282 -4.722 1.697 1.00 1.03 N ATOM 375 CA ASP A 27 23.355 -3.816 1.296 1.00 1.32 C ATOM 376 C ASP A 27 23.227 -3.363 -0.168 1.00 1.36 C ATOM 377 O ASP A 27 23.980 -2.527 -0.658 1.00 1.57 O ATOM 378 CB ASP A 27 24.645 -4.600 1.547 1.00 1.69 C ATOM 379 CG ASP A 27 24.841 -4.834 3.050 1.00 2.07 C ATOM 380 OD1 ASP A 27 24.246 -5.803 3.574 1.00 2.71 O ATOM 381 OD2 ASP A 27 25.399 -3.954 3.737 1.00 2.85 O ATOM 0 H ASP A 27 22.447 -5.671 1.360 1.00 1.03 H new ATOM 0 HA ASP A 27 23.327 -2.887 1.865 1.00 1.32 H new ATOM 0 HB2 ASP A 27 24.605 -5.556 1.025 1.00 1.69 H new ATOM 0 HB3 ASP A 27 25.496 -4.052 1.143 1.00 1.69 H new ATOM 386 N LEU A 28 22.208 -3.889 -0.850 1.00 1.24 N ATOM 387 CA LEU A 28 21.734 -3.484 -2.168 1.00 1.28 C ATOM 388 C LEU A 28 20.289 -2.947 -2.053 1.00 1.22 C ATOM 389 O LEU A 28 19.601 -3.248 -1.071 1.00 1.12 O ATOM 390 CB LEU A 28 21.827 -4.704 -3.099 1.00 1.39 C ATOM 391 CG LEU A 28 23.253 -5.260 -3.315 1.00 2.62 C ATOM 392 CD1 LEU A 28 23.165 -6.549 -4.141 1.00 3.97 C ATOM 393 CD2 LEU A 28 24.159 -4.250 -4.036 1.00 3.43 C ATOM 0 H LEU A 28 21.658 -4.659 -0.469 1.00 1.24 H new ATOM 0 HA LEU A 28 22.343 -2.681 -2.582 1.00 1.28 H new ATOM 0 HB2 LEU A 28 21.202 -5.499 -2.693 1.00 1.39 H new ATOM 0 HB3 LEU A 28 21.409 -4.434 -4.069 1.00 1.39 H new ATOM 0 HG LEU A 28 23.692 -5.459 -2.337 1.00 2.62 H new ATOM 0 HD11 LEU A 28 24.167 -6.949 -4.299 1.00 3.97 H new ATOM 0 HD12 LEU A 28 22.561 -7.283 -3.607 1.00 3.97 H new ATOM 0 HD13 LEU A 28 22.705 -6.333 -5.105 1.00 3.97 H new ATOM 0 HD21 LEU A 28 25.152 -4.681 -4.168 1.00 3.43 H new ATOM 0 HD22 LEU A 28 23.735 -4.012 -5.011 1.00 3.43 H new ATOM 0 HD23 LEU A 28 24.235 -3.340 -3.441 1.00 3.43 H new ATOM 405 N PRO A 29 19.808 -2.154 -3.024 1.00 1.34 N ATOM 406 CA PRO A 29 18.588 -1.378 -2.876 1.00 1.20 C ATOM 407 C PRO A 29 17.330 -2.223 -3.119 1.00 1.04 C ATOM 408 O PRO A 29 17.387 -3.365 -3.593 1.00 1.41 O ATOM 409 CB PRO A 29 18.730 -0.225 -3.874 1.00 1.38 C ATOM 410 CG PRO A 29 19.584 -0.816 -4.997 1.00 1.61 C ATOM 411 CD PRO A 29 20.427 -1.896 -4.314 1.00 1.64 C ATOM 0 HA PRO A 29 18.462 -1.008 -1.858 1.00 1.20 H new ATOM 0 HB2 PRO A 29 17.759 0.107 -4.242 1.00 1.38 H new ATOM 0 HB3 PRO A 29 19.211 0.641 -3.419 1.00 1.38 H new ATOM 0 HG2 PRO A 29 18.963 -1.238 -5.787 1.00 1.61 H new ATOM 0 HG3 PRO A 29 20.213 -0.055 -5.459 1.00 1.61 H new ATOM 0 HD2 PRO A 29 20.457 -2.803 -4.918 1.00 1.64 H new ATOM 0 HD3 PRO A 29 21.457 -1.562 -4.189 1.00 1.64 H new ATOM 419 N LEU A 30 16.181 -1.613 -2.808 1.00 0.79 N ATOM 420 CA LEU A 30 14.857 -2.069 -3.210 1.00 0.67 C ATOM 421 C LEU A 30 14.179 -1.046 -4.106 1.00 0.73 C ATOM 422 O LEU A 30 14.263 0.168 -3.927 1.00 0.87 O ATOM 423 CB LEU A 30 13.948 -2.325 -1.994 1.00 0.70 C ATOM 424 CG LEU A 30 14.340 -3.582 -1.219 1.00 0.75 C ATOM 425 CD1 LEU A 30 13.569 -3.638 0.107 1.00 1.96 C ATOM 426 CD2 LEU A 30 14.104 -4.891 -1.980 1.00 1.44 C ATOM 0 H LEU A 30 16.152 -0.759 -2.250 1.00 0.79 H new ATOM 0 HA LEU A 30 15.003 -3.003 -3.752 1.00 0.67 H new ATOM 0 HB2 LEU A 30 13.990 -1.464 -1.327 1.00 0.70 H new ATOM 0 HB3 LEU A 30 12.915 -2.418 -2.331 1.00 0.70 H new ATOM 0 HG LEU A 30 15.415 -3.502 -1.054 1.00 0.75 H new ATOM 0 HD11 LEU A 30 13.853 -4.536 0.655 1.00 1.96 H new ATOM 0 HD12 LEU A 30 13.808 -2.758 0.704 1.00 1.96 H new ATOM 0 HD13 LEU A 30 12.498 -3.659 -0.095 1.00 1.96 H new ATOM 0 HD21 LEU A 30 14.409 -5.733 -1.359 1.00 1.44 H new ATOM 0 HD22 LEU A 30 13.046 -4.984 -2.224 1.00 1.44 H new ATOM 0 HD23 LEU A 30 14.690 -4.888 -2.899 1.00 1.44 H new ATOM 438 N ARG A 31 13.386 -1.628 -4.991 1.00 0.69 N ATOM 439 CA ARG A 31 12.391 -0.926 -5.806 1.00 0.60 C ATOM 440 C ARG A 31 11.126 -1.759 -5.865 1.00 0.54 C ATOM 441 O ARG A 31 11.133 -2.828 -6.474 1.00 0.55 O ATOM 442 CB ARG A 31 12.913 -0.646 -7.222 1.00 0.65 C ATOM 443 CG ARG A 31 11.959 0.322 -7.946 1.00 0.61 C ATOM 444 CD ARG A 31 12.495 0.822 -9.288 1.00 0.95 C ATOM 445 NE ARG A 31 13.568 1.815 -9.114 1.00 1.19 N ATOM 446 CZ ARG A 31 14.017 2.666 -10.026 1.00 2.01 C ATOM 447 NH1 ARG A 31 13.508 2.718 -11.242 1.00 3.14 N ATOM 448 NH2 ARG A 31 14.994 3.489 -9.729 1.00 2.58 N ATOM 0 H ARG A 31 13.413 -2.631 -5.172 1.00 0.69 H new ATOM 0 HA ARG A 31 12.181 0.039 -5.344 1.00 0.60 H new ATOM 0 HB2 ARG A 31 13.914 -0.216 -7.173 1.00 0.65 H new ATOM 0 HB3 ARG A 31 12.994 -1.578 -7.781 1.00 0.65 H new ATOM 0 HG2 ARG A 31 11.004 -0.177 -8.109 1.00 0.61 H new ATOM 0 HG3 ARG A 31 11.765 1.178 -7.300 1.00 0.61 H new ATOM 0 HD2 ARG A 31 12.871 -0.022 -9.866 1.00 0.95 H new ATOM 0 HD3 ARG A 31 11.681 1.264 -9.862 1.00 0.95 H new ATOM 0 HE ARG A 31 14.012 1.852 -8.196 1.00 1.19 H new ATOM 0 HH11 ARG A 31 12.746 2.092 -11.503 1.00 3.14 H new ATOM 0 HH12 ARG A 31 13.876 3.384 -11.921 1.00 3.14 H new ATOM 0 HH21 ARG A 31 15.408 3.474 -8.797 1.00 2.58 H new ATOM 0 HH22 ARG A 31 15.340 4.144 -10.430 1.00 2.58 H new ATOM 462 N LEU A 32 10.068 -1.303 -5.209 1.00 0.51 N ATOM 463 CA LEU A 32 8.758 -1.949 -5.134 1.00 0.49 C ATOM 464 C LEU A 32 7.940 -1.546 -6.356 1.00 0.50 C ATOM 465 O LEU A 32 7.523 -0.398 -6.434 1.00 0.53 O ATOM 466 CB LEU A 32 8.099 -1.469 -3.831 1.00 0.51 C ATOM 467 CG LEU A 32 6.666 -1.989 -3.597 1.00 0.58 C ATOM 468 CD1 LEU A 32 6.697 -3.447 -3.125 1.00 1.52 C ATOM 469 CD2 LEU A 32 5.989 -1.105 -2.543 1.00 1.60 C ATOM 0 H LEU A 32 10.098 -0.427 -4.687 1.00 0.51 H new ATOM 0 HA LEU A 32 8.832 -3.036 -5.129 1.00 0.49 H new ATOM 0 HB2 LEU A 32 8.723 -1.776 -2.991 1.00 0.51 H new ATOM 0 HB3 LEU A 32 8.079 -0.379 -3.831 1.00 0.51 H new ATOM 0 HG LEU A 32 6.104 -1.948 -4.530 1.00 0.58 H new ATOM 0 HD11 LEU A 32 5.678 -3.799 -2.964 1.00 1.52 H new ATOM 0 HD12 LEU A 32 7.179 -4.065 -3.883 1.00 1.52 H new ATOM 0 HD13 LEU A 32 7.256 -3.516 -2.192 1.00 1.52 H new ATOM 0 HD21 LEU A 32 4.974 -1.461 -2.367 1.00 1.60 H new ATOM 0 HD22 LEU A 32 6.555 -1.149 -1.613 1.00 1.60 H new ATOM 0 HD23 LEU A 32 5.956 -0.075 -2.899 1.00 1.60 H new ATOM 481 N VAL A 33 7.691 -2.474 -7.276 1.00 0.50 N ATOM 482 CA VAL A 33 6.970 -2.217 -8.539 1.00 0.50 C ATOM 483 C VAL A 33 5.550 -2.805 -8.523 1.00 0.51 C ATOM 484 O VAL A 33 4.736 -2.476 -9.382 1.00 0.58 O ATOM 485 CB VAL A 33 7.745 -2.773 -9.758 1.00 0.52 C ATOM 486 CG1 VAL A 33 9.093 -2.053 -9.932 1.00 0.57 C ATOM 487 CG2 VAL A 33 8.003 -4.291 -9.675 1.00 0.53 C ATOM 0 H VAL A 33 7.986 -3.445 -7.172 1.00 0.50 H new ATOM 0 HA VAL A 33 6.893 -1.134 -8.631 1.00 0.50 H new ATOM 0 HB VAL A 33 7.103 -2.587 -10.619 1.00 0.52 H new ATOM 0 HG11 VAL A 33 9.616 -2.464 -10.796 1.00 0.57 H new ATOM 0 HG12 VAL A 33 8.919 -0.988 -10.086 1.00 0.57 H new ATOM 0 HG13 VAL A 33 9.700 -2.196 -9.038 1.00 0.57 H new ATOM 0 HG21 VAL A 33 8.550 -4.616 -10.560 1.00 0.53 H new ATOM 0 HG22 VAL A 33 8.590 -4.512 -8.784 1.00 0.53 H new ATOM 0 HG23 VAL A 33 7.051 -4.819 -9.622 1.00 0.53 H new ATOM 497 N GLY A 34 5.252 -3.698 -7.566 1.00 0.46 N ATOM 498 CA GLY A 34 3.959 -4.364 -7.441 1.00 0.48 C ATOM 499 C GLY A 34 3.657 -4.887 -6.044 1.00 0.43 C ATOM 500 O GLY A 34 4.474 -4.823 -5.127 1.00 0.43 O ATOM 0 H GLY A 34 5.920 -3.978 -6.847 1.00 0.46 H new ATOM 0 HA2 GLY A 34 3.174 -3.666 -7.733 1.00 0.48 H new ATOM 0 HA3 GLY A 34 3.923 -5.196 -8.144 1.00 0.48 H new ATOM 504 N ALA A 35 2.489 -5.509 -5.943 1.00 0.44 N ATOM 505 CA ALA A 35 2.086 -6.404 -4.866 1.00 0.44 C ATOM 506 C ALA A 35 1.207 -7.529 -5.433 1.00 0.44 C ATOM 507 O ALA A 35 0.895 -7.556 -6.627 1.00 0.45 O ATOM 508 CB ALA A 35 1.371 -5.592 -3.772 1.00 0.47 C ATOM 0 H ALA A 35 1.759 -5.397 -6.647 1.00 0.44 H new ATOM 0 HA ALA A 35 2.958 -6.874 -4.411 1.00 0.44 H new ATOM 0 HB1 ALA A 35 1.068 -6.258 -2.964 1.00 0.47 H new ATOM 0 HB2 ALA A 35 2.048 -4.833 -3.381 1.00 0.47 H new ATOM 0 HB3 ALA A 35 0.490 -5.109 -4.194 1.00 0.47 H new ATOM 514 N ARG A 36 0.752 -8.413 -4.551 1.00 0.47 N ATOM 515 CA ARG A 36 -0.447 -9.237 -4.731 1.00 0.50 C ATOM 516 C ARG A 36 -1.010 -9.589 -3.348 1.00 0.47 C ATOM 517 O ARG A 36 -0.472 -9.153 -2.329 1.00 0.56 O ATOM 518 CB ARG A 36 -0.190 -10.461 -5.645 1.00 0.97 C ATOM 519 CG ARG A 36 0.832 -11.429 -5.043 1.00 1.61 C ATOM 520 CD ARG A 36 0.986 -12.780 -5.750 1.00 1.83 C ATOM 521 NE ARG A 36 -0.217 -13.631 -5.651 1.00 2.60 N ATOM 522 CZ ARG A 36 -0.545 -14.419 -4.628 1.00 3.88 C ATOM 523 NH1 ARG A 36 0.087 -14.410 -3.473 1.00 4.61 N ATOM 524 NH2 ARG A 36 -1.552 -15.256 -4.765 1.00 4.96 N ATOM 0 H ARG A 36 1.220 -8.584 -3.661 1.00 0.47 H new ATOM 0 HA ARG A 36 -1.209 -8.672 -5.268 1.00 0.50 H new ATOM 0 HB2 ARG A 36 -1.129 -10.987 -5.817 1.00 0.97 H new ATOM 0 HB3 ARG A 36 0.166 -10.118 -6.617 1.00 0.97 H new ATOM 0 HG2 ARG A 36 1.804 -10.936 -5.031 1.00 1.61 H new ATOM 0 HG3 ARG A 36 0.556 -11.615 -4.005 1.00 1.61 H new ATOM 0 HD2 ARG A 36 1.215 -12.608 -6.802 1.00 1.83 H new ATOM 0 HD3 ARG A 36 1.835 -13.312 -5.321 1.00 1.83 H new ATOM 0 HE ARG A 36 -0.859 -13.614 -6.443 1.00 2.60 H new ATOM 0 HH11 ARG A 36 0.873 -13.776 -3.326 1.00 4.61 H new ATOM 0 HH12 ARG A 36 -0.209 -15.037 -2.725 1.00 4.61 H new ATOM 0 HH21 ARG A 36 -2.068 -15.294 -5.644 1.00 4.96 H new ATOM 0 HH22 ARG A 36 -1.817 -15.866 -3.992 1.00 4.96 H new ATOM 538 N THR A 37 -2.096 -10.356 -3.303 1.00 0.46 N ATOM 539 CA THR A 37 -2.874 -10.679 -2.102 1.00 0.47 C ATOM 540 C THR A 37 -3.901 -11.752 -2.476 1.00 0.48 C ATOM 541 O THR A 37 -4.297 -11.788 -3.641 1.00 0.50 O ATOM 542 CB THR A 37 -3.523 -9.411 -1.524 1.00 0.52 C ATOM 543 OG1 THR A 37 -4.353 -9.763 -0.461 1.00 0.55 O ATOM 544 CG2 THR A 37 -4.381 -8.609 -2.504 1.00 0.58 C ATOM 0 H THR A 37 -2.479 -10.792 -4.142 1.00 0.46 H new ATOM 0 HA THR A 37 -2.230 -11.073 -1.316 1.00 0.47 H new ATOM 0 HB THR A 37 -2.684 -8.779 -1.234 1.00 0.52 H new ATOM 0 HG1 THR A 37 -3.813 -9.892 0.347 1.00 0.55 H new ATOM 0 HG21 THR A 37 -4.792 -7.736 -1.997 1.00 0.58 H new ATOM 0 HG22 THR A 37 -3.767 -8.285 -3.345 1.00 0.58 H new ATOM 0 HG23 THR A 37 -5.196 -9.234 -2.869 1.00 0.58 H new ATOM 552 N PRO A 38 -4.362 -12.610 -1.545 1.00 0.53 N ATOM 553 CA PRO A 38 -5.431 -13.565 -1.829 1.00 0.55 C ATOM 554 C PRO A 38 -6.834 -12.944 -1.828 1.00 0.53 C ATOM 555 O PRO A 38 -7.809 -13.643 -2.093 1.00 0.64 O ATOM 556 CB PRO A 38 -5.276 -14.629 -0.750 1.00 0.63 C ATOM 557 CG PRO A 38 -4.671 -13.906 0.446 1.00 0.66 C ATOM 558 CD PRO A 38 -3.845 -12.794 -0.192 1.00 0.62 C ATOM 0 HA PRO A 38 -5.340 -13.967 -2.838 1.00 0.55 H new ATOM 0 HB2 PRO A 38 -6.238 -15.073 -0.495 1.00 0.63 H new ATOM 0 HB3 PRO A 38 -4.630 -15.440 -1.087 1.00 0.63 H new ATOM 0 HG2 PRO A 38 -5.441 -13.506 1.105 1.00 0.66 H new ATOM 0 HG3 PRO A 38 -4.052 -14.572 1.047 1.00 0.66 H new ATOM 0 HD2 PRO A 38 -3.928 -11.872 0.383 1.00 0.62 H new ATOM 0 HD3 PRO A 38 -2.788 -13.061 -0.215 1.00 0.62 H new ATOM 566 N VAL A 39 -6.935 -11.650 -1.512 1.00 0.50 N ATOM 567 CA VAL A 39 -8.210 -10.910 -1.379 1.00 0.51 C ATOM 568 C VAL A 39 -8.362 -9.732 -2.356 1.00 0.55 C ATOM 569 O VAL A 39 -8.910 -8.690 -2.004 1.00 0.63 O ATOM 570 CB VAL A 39 -8.479 -10.491 0.087 1.00 0.58 C ATOM 571 CG1 VAL A 39 -8.568 -11.725 1.001 1.00 0.74 C ATOM 572 CG2 VAL A 39 -7.408 -9.539 0.635 1.00 0.62 C ATOM 0 H VAL A 39 -6.117 -11.066 -1.336 1.00 0.50 H new ATOM 0 HA VAL A 39 -8.986 -11.617 -1.671 1.00 0.51 H new ATOM 0 HB VAL A 39 -9.432 -9.962 0.082 1.00 0.58 H new ATOM 0 HG11 VAL A 39 -8.757 -11.406 2.026 1.00 0.74 H new ATOM 0 HG12 VAL A 39 -9.381 -12.369 0.665 1.00 0.74 H new ATOM 0 HG13 VAL A 39 -7.629 -12.276 0.960 1.00 0.74 H new ATOM 0 HG21 VAL A 39 -7.647 -9.278 1.666 1.00 0.62 H new ATOM 0 HG22 VAL A 39 -6.434 -10.028 0.600 1.00 0.62 H new ATOM 0 HG23 VAL A 39 -7.381 -8.634 0.028 1.00 0.62 H new ATOM 582 N ALA A 40 -7.914 -9.903 -3.606 1.00 0.56 N ATOM 583 CA ALA A 40 -8.163 -8.983 -4.729 1.00 0.60 C ATOM 584 C ALA A 40 -7.965 -9.705 -6.082 1.00 0.75 C ATOM 585 O ALA A 40 -7.408 -10.801 -6.120 1.00 1.11 O ATOM 586 CB ALA A 40 -7.220 -7.773 -4.609 1.00 0.63 C ATOM 0 H ALA A 40 -7.351 -10.710 -3.875 1.00 0.56 H new ATOM 0 HA ALA A 40 -9.196 -8.637 -4.690 1.00 0.60 H new ATOM 0 HB1 ALA A 40 -7.400 -7.088 -5.438 1.00 0.63 H new ATOM 0 HB2 ALA A 40 -7.406 -7.259 -3.666 1.00 0.63 H new ATOM 0 HB3 ALA A 40 -6.185 -8.114 -4.638 1.00 0.63 H new ATOM 592 N GLU A 41 -8.406 -9.078 -7.174 1.00 0.65 N ATOM 593 CA GLU A 41 -8.162 -9.498 -8.564 1.00 0.78 C ATOM 594 C GLU A 41 -6.993 -8.692 -9.161 1.00 0.64 C ATOM 595 O GLU A 41 -6.017 -9.236 -9.676 1.00 0.85 O ATOM 596 CB GLU A 41 -9.448 -9.247 -9.382 1.00 0.99 C ATOM 597 CG GLU A 41 -9.526 -10.055 -10.684 1.00 1.25 C ATOM 598 CD GLU A 41 -10.028 -11.460 -10.379 1.00 1.72 C ATOM 599 OE1 GLU A 41 -11.257 -11.629 -10.233 1.00 2.64 O ATOM 600 OE2 GLU A 41 -9.202 -12.349 -10.076 1.00 2.65 O ATOM 0 H GLU A 41 -8.967 -8.228 -7.117 1.00 0.65 H new ATOM 0 HA GLU A 41 -7.901 -10.556 -8.593 1.00 0.78 H new ATOM 0 HB2 GLU A 41 -10.313 -9.489 -8.764 1.00 0.99 H new ATOM 0 HB3 GLU A 41 -9.513 -8.185 -9.621 1.00 0.99 H new ATOM 0 HG2 GLU A 41 -10.195 -9.563 -11.390 1.00 1.25 H new ATOM 0 HG3 GLU A 41 -8.544 -10.102 -11.155 1.00 1.25 H new ATOM 607 N ARG A 42 -7.069 -7.361 -9.038 1.00 0.56 N ATOM 608 CA ARG A 42 -6.038 -6.394 -9.344 1.00 0.56 C ATOM 609 C ARG A 42 -5.639 -5.720 -8.025 1.00 0.53 C ATOM 610 O ARG A 42 -6.488 -5.324 -7.229 1.00 0.69 O ATOM 611 CB ARG A 42 -6.622 -5.383 -10.349 1.00 0.78 C ATOM 612 CG ARG A 42 -5.672 -4.207 -10.580 1.00 2.52 C ATOM 613 CD ARG A 42 -6.259 -2.983 -11.286 1.00 3.02 C ATOM 614 NE ARG A 42 -6.875 -3.276 -12.585 1.00 3.05 N ATOM 615 CZ ARG A 42 -7.389 -2.345 -13.383 1.00 3.91 C ATOM 616 NH1 ARG A 42 -7.372 -1.064 -13.070 1.00 4.63 N ATOM 617 NH2 ARG A 42 -7.932 -2.715 -14.525 1.00 4.62 N ATOM 0 H ARG A 42 -7.919 -6.912 -8.697 1.00 0.56 H new ATOM 0 HA ARG A 42 -5.153 -6.848 -9.790 1.00 0.56 H new ATOM 0 HB2 ARG A 42 -6.819 -5.884 -11.297 1.00 0.78 H new ATOM 0 HB3 ARG A 42 -7.578 -5.012 -9.979 1.00 0.78 H new ATOM 0 HG2 ARG A 42 -5.282 -3.889 -9.613 1.00 2.52 H new ATOM 0 HG3 ARG A 42 -4.824 -4.564 -11.164 1.00 2.52 H new ATOM 0 HD2 ARG A 42 -7.006 -2.527 -10.637 1.00 3.02 H new ATOM 0 HD3 ARG A 42 -5.469 -2.246 -11.429 1.00 3.02 H new ATOM 0 HE ARG A 42 -6.911 -4.248 -12.893 1.00 3.05 H new ATOM 0 HH11 ARG A 42 -6.955 -0.759 -12.191 1.00 4.63 H new ATOM 0 HH12 ARG A 42 -7.776 -0.378 -13.707 1.00 4.63 H new ATOM 0 HH21 ARG A 42 -7.953 -3.701 -14.784 1.00 4.62 H new ATOM 0 HH22 ARG A 42 -8.331 -2.015 -15.150 1.00 4.62 H new ATOM 631 N VAL A 43 -4.340 -5.503 -7.864 1.00 0.64 N ATOM 632 CA VAL A 43 -3.797 -4.451 -6.996 1.00 0.55 C ATOM 633 C VAL A 43 -3.186 -3.345 -7.872 1.00 0.70 C ATOM 634 O VAL A 43 -2.693 -3.623 -8.967 1.00 1.09 O ATOM 635 CB VAL A 43 -2.773 -5.022 -5.989 1.00 0.60 C ATOM 636 CG1 VAL A 43 -1.358 -5.197 -6.566 1.00 0.94 C ATOM 637 CG2 VAL A 43 -2.728 -4.185 -4.704 1.00 0.76 C ATOM 0 H VAL A 43 -3.622 -6.054 -8.334 1.00 0.64 H new ATOM 0 HA VAL A 43 -4.603 -4.022 -6.401 1.00 0.55 H new ATOM 0 HB VAL A 43 -3.132 -6.024 -5.753 1.00 0.60 H new ATOM 0 HG11 VAL A 43 -0.699 -5.602 -5.798 1.00 0.94 H new ATOM 0 HG12 VAL A 43 -1.393 -5.883 -7.413 1.00 0.94 H new ATOM 0 HG13 VAL A 43 -0.978 -4.231 -6.897 1.00 0.94 H new ATOM 0 HG21 VAL A 43 -1.998 -4.613 -4.016 1.00 0.76 H new ATOM 0 HG22 VAL A 43 -2.442 -3.162 -4.946 1.00 0.76 H new ATOM 0 HG23 VAL A 43 -3.712 -4.185 -4.235 1.00 0.76 H new ATOM 647 N GLU A 44 -3.218 -2.109 -7.385 1.00 0.52 N ATOM 648 CA GLU A 44 -2.475 -0.947 -7.891 1.00 0.51 C ATOM 649 C GLU A 44 -1.732 -0.325 -6.709 1.00 0.63 C ATOM 650 O GLU A 44 -2.252 -0.401 -5.595 1.00 0.84 O ATOM 651 CB GLU A 44 -3.453 0.114 -8.432 1.00 0.70 C ATOM 652 CG GLU A 44 -4.119 -0.296 -9.751 1.00 1.11 C ATOM 653 CD GLU A 44 -5.376 0.523 -10.069 1.00 1.94 C ATOM 654 OE1 GLU A 44 -5.470 1.683 -9.611 1.00 2.97 O ATOM 655 OE2 GLU A 44 -6.258 -0.032 -10.770 1.00 2.68 O ATOM 0 H GLU A 44 -3.796 -1.871 -6.579 1.00 0.52 H new ATOM 0 HA GLU A 44 -1.798 -1.262 -8.685 1.00 0.51 H new ATOM 0 HB2 GLU A 44 -4.225 0.302 -7.686 1.00 0.70 H new ATOM 0 HB3 GLU A 44 -2.917 1.052 -8.579 1.00 0.70 H new ATOM 0 HG2 GLU A 44 -3.402 -0.181 -10.564 1.00 1.11 H new ATOM 0 HG3 GLU A 44 -4.383 -1.353 -9.705 1.00 1.11 H new ATOM 662 N LEU A 45 -0.589 0.343 -6.911 1.00 0.74 N ATOM 663 CA LEU A 45 -0.104 1.289 -5.891 1.00 0.83 C ATOM 664 C LEU A 45 -0.412 2.730 -6.256 1.00 0.71 C ATOM 665 O LEU A 45 -0.248 3.164 -7.397 1.00 0.72 O ATOM 666 CB LEU A 45 1.356 1.104 -5.459 1.00 1.41 C ATOM 667 CG LEU A 45 2.458 1.717 -6.326 1.00 0.53 C ATOM 668 CD1 LEU A 45 3.774 1.715 -5.538 1.00 1.44 C ATOM 669 CD2 LEU A 45 2.647 0.940 -7.635 1.00 1.76 C ATOM 0 H LEU A 45 0.001 0.254 -7.739 1.00 0.74 H new ATOM 0 HA LEU A 45 -0.678 1.034 -5.000 1.00 0.83 H new ATOM 0 HB2 LEU A 45 1.459 1.514 -4.454 1.00 1.41 H new ATOM 0 HB3 LEU A 45 1.547 0.033 -5.388 1.00 1.41 H new ATOM 0 HG LEU A 45 2.165 2.736 -6.580 1.00 0.53 H new ATOM 0 HD11 LEU A 45 4.565 2.150 -6.149 1.00 1.44 H new ATOM 0 HD12 LEU A 45 3.654 2.302 -4.628 1.00 1.44 H new ATOM 0 HD13 LEU A 45 4.040 0.691 -5.276 1.00 1.44 H new ATOM 0 HD21 LEU A 45 3.438 1.405 -8.223 1.00 1.76 H new ATOM 0 HD22 LEU A 45 2.921 -0.091 -7.410 1.00 1.76 H new ATOM 0 HD23 LEU A 45 1.717 0.952 -8.203 1.00 1.76 H new ATOM 681 N HIS A 46 -0.830 3.468 -5.240 1.00 0.65 N ATOM 682 CA HIS A 46 -1.219 4.860 -5.276 1.00 0.62 C ATOM 683 C HIS A 46 -0.417 5.710 -4.292 1.00 0.61 C ATOM 684 O HIS A 46 0.149 5.243 -3.297 1.00 0.59 O ATOM 685 CB HIS A 46 -2.704 4.972 -4.904 1.00 0.63 C ATOM 686 CG HIS A 46 -3.745 4.443 -5.853 1.00 0.62 C ATOM 687 ND1 HIS A 46 -5.097 4.470 -5.576 1.00 0.61 N ATOM 688 CD2 HIS A 46 -3.583 3.814 -7.050 1.00 0.69 C ATOM 689 CE1 HIS A 46 -5.729 3.884 -6.591 1.00 0.66 C ATOM 690 NE2 HIS A 46 -4.843 3.475 -7.513 1.00 0.71 N ATOM 0 H HIS A 46 -0.910 3.076 -4.302 1.00 0.65 H new ATOM 0 HA HIS A 46 -1.027 5.229 -6.284 1.00 0.62 H new ATOM 0 HB2 HIS A 46 -2.842 4.462 -3.950 1.00 0.63 H new ATOM 0 HB3 HIS A 46 -2.920 6.027 -4.736 1.00 0.63 H new ATOM 0 HD2 HIS A 46 -2.645 3.616 -7.547 1.00 0.69 H new ATOM 0 HE1 HIS A 46 -6.799 3.756 -6.662 1.00 0.66 H new ATOM 0 HE2 HIS A 46 -5.058 3.003 -8.391 1.00 0.71 H new ATOM 698 N GLU A 47 -0.449 6.995 -4.592 1.00 0.63 N ATOM 699 CA GLU A 47 -0.041 8.085 -3.725 1.00 0.57 C ATOM 700 C GLU A 47 -1.258 8.825 -3.143 1.00 0.64 C ATOM 701 O GLU A 47 -2.411 8.463 -3.404 1.00 0.99 O ATOM 702 CB GLU A 47 0.992 8.945 -4.481 1.00 0.61 C ATOM 703 CG GLU A 47 0.787 9.367 -5.952 1.00 0.95 C ATOM 704 CD GLU A 47 -0.254 10.442 -6.222 1.00 1.78 C ATOM 705 OE1 GLU A 47 -1.392 10.273 -5.731 1.00 3.46 O ATOM 706 OE2 GLU A 47 0.034 11.355 -7.039 1.00 2.08 O ATOM 0 H GLU A 47 -0.779 7.325 -5.499 1.00 0.63 H new ATOM 0 HA GLU A 47 0.466 7.723 -2.831 1.00 0.57 H new ATOM 0 HB2 GLU A 47 1.118 9.862 -3.906 1.00 0.61 H new ATOM 0 HB3 GLU A 47 1.940 8.408 -4.437 1.00 0.61 H new ATOM 0 HG2 GLU A 47 1.744 9.716 -6.341 1.00 0.95 H new ATOM 0 HG3 GLU A 47 0.515 8.480 -6.524 1.00 0.95 H new ATOM 713 N THR A 48 -1.022 9.836 -2.302 1.00 0.53 N ATOM 714 CA THR A 48 -2.022 10.850 -1.928 1.00 0.47 C ATOM 715 C THR A 48 -1.273 12.151 -1.671 1.00 0.48 C ATOM 716 O THR A 48 -0.179 12.124 -1.106 1.00 0.55 O ATOM 717 CB THR A 48 -2.856 10.396 -0.724 1.00 0.54 C ATOM 718 OG1 THR A 48 -3.669 9.351 -1.195 1.00 0.74 O ATOM 719 CG2 THR A 48 -3.789 11.460 -0.148 1.00 0.62 C ATOM 0 H THR A 48 -0.117 9.978 -1.853 1.00 0.53 H new ATOM 0 HA THR A 48 -2.742 11.000 -2.732 1.00 0.47 H new ATOM 0 HB THR A 48 -2.163 10.129 0.074 1.00 0.54 H new ATOM 0 HG1 THR A 48 -3.463 9.175 -2.137 1.00 0.74 H new ATOM 0 HG21 THR A 48 -4.336 11.045 0.699 1.00 0.62 H new ATOM 0 HG22 THR A 48 -3.203 12.317 0.184 1.00 0.62 H new ATOM 0 HG23 THR A 48 -4.495 11.778 -0.915 1.00 0.62 H new ATOM 727 N PHE A 49 -1.840 13.271 -2.128 1.00 0.50 N ATOM 728 CA PHE A 49 -1.185 14.577 -2.191 1.00 0.56 C ATOM 729 C PHE A 49 -2.172 15.736 -1.999 1.00 0.58 C ATOM 730 O PHE A 49 -3.381 15.556 -1.836 1.00 0.52 O ATOM 731 CB PHE A 49 -0.434 14.709 -3.533 1.00 0.67 C ATOM 732 CG PHE A 49 -1.324 14.679 -4.764 1.00 0.69 C ATOM 733 CD1 PHE A 49 -1.732 13.454 -5.315 1.00 2.06 C ATOM 734 CD2 PHE A 49 -1.762 15.876 -5.364 1.00 1.85 C ATOM 735 CE1 PHE A 49 -2.597 13.417 -6.411 1.00 2.12 C ATOM 736 CE2 PHE A 49 -2.618 15.844 -6.480 1.00 1.84 C ATOM 737 CZ PHE A 49 -3.049 14.608 -7.001 1.00 0.84 C ATOM 0 H PHE A 49 -2.799 13.292 -2.475 1.00 0.50 H new ATOM 0 HA PHE A 49 -0.474 14.638 -1.367 1.00 0.56 H new ATOM 0 HB2 PHE A 49 0.127 15.644 -3.530 1.00 0.67 H new ATOM 0 HB3 PHE A 49 0.294 13.901 -3.608 1.00 0.67 H new ATOM 0 HD1 PHE A 49 -1.373 12.530 -4.887 1.00 2.06 H new ATOM 0 HD2 PHE A 49 -1.438 16.826 -4.964 1.00 1.85 H new ATOM 0 HE1 PHE A 49 -2.920 12.466 -6.807 1.00 2.12 H new ATOM 0 HE2 PHE A 49 -2.945 16.766 -6.937 1.00 1.84 H new ATOM 0 HZ PHE A 49 -3.721 14.577 -7.846 1.00 0.84 H new ATOM 747 N MET A 50 -1.647 16.962 -2.013 1.00 0.76 N ATOM 748 CA MET A 50 -2.402 18.209 -1.863 1.00 0.78 C ATOM 749 C MET A 50 -2.470 19.033 -3.159 1.00 0.77 C ATOM 750 O MET A 50 -1.509 19.099 -3.922 1.00 0.86 O ATOM 751 CB MET A 50 -1.832 19.027 -0.694 1.00 0.94 C ATOM 752 CG MET A 50 -0.407 19.540 -0.912 1.00 2.66 C ATOM 753 SD MET A 50 0.918 18.306 -0.817 1.00 4.48 S ATOM 754 CE MET A 50 1.238 18.347 0.963 1.00 4.32 C ATOM 0 H MET A 50 -0.647 17.121 -2.134 1.00 0.76 H new ATOM 0 HA MET A 50 -3.434 17.942 -1.637 1.00 0.78 H new ATOM 0 HB2 MET A 50 -2.487 19.879 -0.510 1.00 0.94 H new ATOM 0 HB3 MET A 50 -1.849 18.412 0.206 1.00 0.94 H new ATOM 0 HG2 MET A 50 -0.361 20.015 -1.892 1.00 2.66 H new ATOM 0 HG3 MET A 50 -0.206 20.315 -0.172 1.00 2.66 H new ATOM 0 HE1 MET A 50 2.033 17.642 1.206 1.00 4.32 H new ATOM 0 HE2 MET A 50 1.542 19.352 1.255 1.00 4.32 H new ATOM 0 HE3 MET A 50 0.332 18.071 1.502 1.00 4.32 H new ATOM 764 N ARG A 51 -3.598 19.717 -3.376 1.00 0.74 N ATOM 765 CA ARG A 51 -3.773 20.775 -4.380 1.00 0.72 C ATOM 766 C ARG A 51 -4.340 22.043 -3.737 1.00 0.76 C ATOM 767 O ARG A 51 -5.134 21.970 -2.796 1.00 0.89 O ATOM 768 CB ARG A 51 -4.771 20.359 -5.472 1.00 1.14 C ATOM 769 CG ARG A 51 -4.220 19.312 -6.445 1.00 1.24 C ATOM 770 CD ARG A 51 -5.142 19.146 -7.664 1.00 1.99 C ATOM 771 NE ARG A 51 -5.274 20.411 -8.419 1.00 3.00 N ATOM 772 CZ ARG A 51 -4.683 20.757 -9.558 1.00 3.38 C ATOM 773 NH1 ARG A 51 -3.947 19.913 -10.256 1.00 3.49 N ATOM 774 NH2 ARG A 51 -4.830 21.993 -9.987 1.00 4.69 N ATOM 0 H ARG A 51 -4.447 19.543 -2.838 1.00 0.74 H new ATOM 0 HA ARG A 51 -2.787 20.953 -4.810 1.00 0.72 H new ATOM 0 HB2 ARG A 51 -5.670 19.964 -4.999 1.00 1.14 H new ATOM 0 HB3 ARG A 51 -5.069 21.243 -6.035 1.00 1.14 H new ATOM 0 HG2 ARG A 51 -3.225 19.608 -6.776 1.00 1.24 H new ATOM 0 HG3 ARG A 51 -4.114 18.356 -5.933 1.00 1.24 H new ATOM 0 HD2 ARG A 51 -4.745 18.370 -8.319 1.00 1.99 H new ATOM 0 HD3 ARG A 51 -6.126 18.813 -7.335 1.00 1.99 H new ATOM 0 HE ARG A 51 -5.899 21.107 -8.013 1.00 3.00 H new ATOM 0 HH11 ARG A 51 -3.816 18.957 -9.926 1.00 3.49 H new ATOM 0 HH12 ARG A 51 -3.510 20.217 -11.126 1.00 3.49 H new ATOM 0 HH21 ARG A 51 -5.386 22.657 -9.448 1.00 4.69 H new ATOM 0 HH22 ARG A 51 -4.388 22.287 -10.858 1.00 4.69 H new ATOM 788 N GLU A 52 -4.047 23.200 -4.324 1.00 0.90 N ATOM 789 CA GLU A 52 -4.942 24.333 -4.322 1.00 0.96 C ATOM 790 C GLU A 52 -5.819 24.265 -5.582 1.00 0.96 C ATOM 791 O GLU A 52 -5.335 23.887 -6.655 1.00 1.00 O ATOM 792 CB GLU A 52 -4.053 25.575 -4.353 1.00 1.12 C ATOM 793 CG GLU A 52 -4.821 26.871 -4.142 1.00 1.29 C ATOM 794 CD GLU A 52 -5.074 27.177 -2.668 1.00 1.44 C ATOM 795 OE1 GLU A 52 -5.400 26.241 -1.913 1.00 1.69 O ATOM 796 OE2 GLU A 52 -4.985 28.353 -2.259 1.00 2.52 O ATOM 0 H GLU A 52 -3.170 23.370 -4.817 1.00 0.90 H new ATOM 0 HA GLU A 52 -5.596 24.350 -3.450 1.00 0.96 H new ATOM 0 HB2 GLU A 52 -3.288 25.485 -3.582 1.00 1.12 H new ATOM 0 HB3 GLU A 52 -3.536 25.619 -5.312 1.00 1.12 H new ATOM 0 HG2 GLU A 52 -4.264 27.695 -4.589 1.00 1.29 H new ATOM 0 HG3 GLU A 52 -5.776 26.811 -4.665 1.00 1.29 H new ATOM 803 N VAL A 53 -7.087 24.658 -5.466 1.00 1.02 N ATOM 804 CA VAL A 53 -7.934 25.087 -6.591 1.00 1.17 C ATOM 805 C VAL A 53 -8.761 26.278 -6.098 1.00 1.33 C ATOM 806 O VAL A 53 -9.371 26.183 -5.041 1.00 1.57 O ATOM 807 CB VAL A 53 -8.866 23.956 -7.097 1.00 1.24 C ATOM 808 CG1 VAL A 53 -9.690 24.427 -8.309 1.00 2.05 C ATOM 809 CG2 VAL A 53 -8.092 22.688 -7.524 1.00 1.87 C ATOM 0 H VAL A 53 -7.570 24.690 -4.568 1.00 1.02 H new ATOM 0 HA VAL A 53 -7.303 25.358 -7.438 1.00 1.17 H new ATOM 0 HB VAL A 53 -9.513 23.710 -6.255 1.00 1.24 H new ATOM 0 HG11 VAL A 53 -10.336 23.617 -8.647 1.00 2.05 H new ATOM 0 HG12 VAL A 53 -10.301 25.283 -8.023 1.00 2.05 H new ATOM 0 HG13 VAL A 53 -9.017 24.715 -9.117 1.00 2.05 H new ATOM 0 HG21 VAL A 53 -8.796 21.931 -7.869 1.00 1.87 H new ATOM 0 HG22 VAL A 53 -7.403 22.937 -8.331 1.00 1.87 H new ATOM 0 HG23 VAL A 53 -7.531 22.301 -6.674 1.00 1.87 H new ATOM 819 N GLU A 54 -8.750 27.405 -6.821 1.00 1.54 N ATOM 820 CA GLU A 54 -9.605 28.580 -6.544 1.00 1.65 C ATOM 821 C GLU A 54 -9.294 29.273 -5.191 1.00 1.63 C ATOM 822 O GLU A 54 -10.176 29.864 -4.571 1.00 1.76 O ATOM 823 CB GLU A 54 -11.088 28.169 -6.640 1.00 1.66 C ATOM 824 CG GLU A 54 -12.026 29.304 -7.083 1.00 2.88 C ATOM 825 CD GLU A 54 -13.453 29.033 -6.616 1.00 3.15 C ATOM 826 OE1 GLU A 54 -13.862 27.850 -6.529 1.00 2.79 O ATOM 827 OE2 GLU A 54 -14.127 29.981 -6.150 1.00 4.38 O ATOM 0 H GLU A 54 -8.140 27.534 -7.628 1.00 1.54 H new ATOM 0 HA GLU A 54 -9.381 29.329 -7.303 1.00 1.65 H new ATOM 0 HB2 GLU A 54 -11.180 27.341 -7.343 1.00 1.66 H new ATOM 0 HB3 GLU A 54 -11.415 27.800 -5.668 1.00 1.66 H new ATOM 0 HG2 GLU A 54 -11.677 30.252 -6.674 1.00 2.88 H new ATOM 0 HG3 GLU A 54 -12.004 29.398 -8.169 1.00 2.88 H new ATOM 834 N GLY A 55 -8.063 29.149 -4.673 1.00 1.58 N ATOM 835 CA GLY A 55 -7.689 29.644 -3.332 1.00 1.62 C ATOM 836 C GLY A 55 -8.067 28.690 -2.187 1.00 1.46 C ATOM 837 O GLY A 55 -7.979 29.047 -1.011 1.00 1.59 O ATOM 0 H GLY A 55 -7.293 28.702 -5.171 1.00 1.58 H new ATOM 0 HA2 GLY A 55 -6.613 29.818 -3.307 1.00 1.62 H new ATOM 0 HA3 GLY A 55 -8.171 30.607 -3.164 1.00 1.62 H new ATOM 841 N LYS A 56 -8.503 27.473 -2.527 1.00 1.28 N ATOM 842 CA LYS A 56 -9.092 26.468 -1.645 1.00 1.18 C ATOM 843 C LYS A 56 -8.252 25.184 -1.729 1.00 1.02 C ATOM 844 O LYS A 56 -8.082 24.580 -2.792 1.00 0.94 O ATOM 845 CB LYS A 56 -10.569 26.203 -2.025 1.00 1.25 C ATOM 846 CG LYS A 56 -11.426 27.479 -2.140 1.00 1.57 C ATOM 847 CD LYS A 56 -12.771 27.226 -2.834 1.00 1.70 C ATOM 848 CE LYS A 56 -13.413 28.577 -3.181 1.00 2.57 C ATOM 849 NZ LYS A 56 -14.623 28.426 -4.019 1.00 2.94 N ATOM 0 H LYS A 56 -8.449 27.145 -3.491 1.00 1.28 H new ATOM 0 HA LYS A 56 -9.087 26.831 -0.617 1.00 1.18 H new ATOM 0 HB2 LYS A 56 -10.599 25.671 -2.976 1.00 1.25 H new ATOM 0 HB3 LYS A 56 -11.013 25.546 -1.278 1.00 1.25 H new ATOM 0 HG2 LYS A 56 -11.606 27.882 -1.144 1.00 1.57 H new ATOM 0 HG3 LYS A 56 -10.872 28.236 -2.695 1.00 1.57 H new ATOM 0 HD2 LYS A 56 -12.624 26.635 -3.738 1.00 1.70 H new ATOM 0 HD3 LYS A 56 -13.430 26.652 -2.182 1.00 1.70 H new ATOM 0 HE2 LYS A 56 -13.674 29.099 -2.261 1.00 2.57 H new ATOM 0 HE3 LYS A 56 -12.686 29.198 -3.705 1.00 2.57 H new ATOM 0 HZ1 LYS A 56 -14.854 29.338 -4.463 1.00 2.94 H new ATOM 0 HZ2 LYS A 56 -14.447 27.716 -4.758 1.00 2.94 H new ATOM 0 HZ3 LYS A 56 -15.420 28.118 -3.426 1.00 2.94 H new ATOM 863 N LYS A 57 -7.703 24.795 -0.584 1.00 1.05 N ATOM 864 CA LYS A 57 -6.753 23.707 -0.401 1.00 1.01 C ATOM 865 C LYS A 57 -7.471 22.373 -0.144 1.00 1.05 C ATOM 866 O LYS A 57 -8.193 22.238 0.840 1.00 1.36 O ATOM 867 CB LYS A 57 -5.733 24.104 0.687 1.00 1.23 C ATOM 868 CG LYS A 57 -6.225 24.888 1.932 1.00 1.69 C ATOM 869 CD LYS A 57 -5.685 26.338 1.978 1.00 2.54 C ATOM 870 CE LYS A 57 -6.223 27.194 0.821 1.00 3.35 C ATOM 871 NZ LYS A 57 -5.317 28.285 0.399 1.00 4.23 N ATOM 0 H LYS A 57 -7.924 25.261 0.296 1.00 1.05 H new ATOM 0 HA LYS A 57 -6.189 23.539 -1.319 1.00 1.01 H new ATOM 0 HB2 LYS A 57 -5.258 23.189 1.041 1.00 1.23 H new ATOM 0 HB3 LYS A 57 -4.957 24.701 0.208 1.00 1.23 H new ATOM 0 HG2 LYS A 57 -7.315 24.910 1.935 1.00 1.69 H new ATOM 0 HG3 LYS A 57 -5.915 24.361 2.834 1.00 1.69 H new ATOM 0 HD2 LYS A 57 -5.962 26.797 2.927 1.00 2.54 H new ATOM 0 HD3 LYS A 57 -4.596 26.320 1.939 1.00 2.54 H new ATOM 0 HE2 LYS A 57 -6.417 26.547 -0.035 1.00 3.35 H new ATOM 0 HE3 LYS A 57 -7.179 27.626 1.118 1.00 3.35 H new ATOM 0 HZ1 LYS A 57 -5.534 28.557 -0.581 1.00 4.23 H new ATOM 0 HZ2 LYS A 57 -5.449 29.106 1.023 1.00 4.23 H new ATOM 0 HZ3 LYS A 57 -4.331 27.960 0.458 1.00 4.23 H new ATOM 885 N VAL A 58 -7.291 21.422 -1.063 1.00 0.87 N ATOM 886 CA VAL A 58 -8.069 20.177 -1.216 1.00 0.84 C ATOM 887 C VAL A 58 -7.162 19.078 -1.788 1.00 0.72 C ATOM 888 O VAL A 58 -6.328 19.349 -2.647 1.00 1.27 O ATOM 889 CB VAL A 58 -9.290 20.386 -2.156 1.00 1.18 C ATOM 890 CG1 VAL A 58 -10.145 19.112 -2.275 1.00 2.26 C ATOM 891 CG2 VAL A 58 -10.215 21.532 -1.698 1.00 2.98 C ATOM 0 H VAL A 58 -6.556 21.499 -1.766 1.00 0.87 H new ATOM 0 HA VAL A 58 -8.443 19.883 -0.235 1.00 0.84 H new ATOM 0 HB VAL A 58 -8.856 20.643 -3.122 1.00 1.18 H new ATOM 0 HG11 VAL A 58 -10.988 19.300 -2.940 1.00 2.26 H new ATOM 0 HG12 VAL A 58 -9.537 18.302 -2.679 1.00 2.26 H new ATOM 0 HG13 VAL A 58 -10.517 18.830 -1.290 1.00 2.26 H new ATOM 0 HG21 VAL A 58 -11.048 21.628 -2.395 1.00 2.98 H new ATOM 0 HG22 VAL A 58 -10.599 21.314 -0.701 1.00 2.98 H new ATOM 0 HG23 VAL A 58 -9.653 22.466 -1.674 1.00 2.98 H new ATOM 901 N MET A 59 -7.287 17.845 -1.295 1.00 0.67 N ATOM 902 CA MET A 59 -6.388 16.726 -1.612 1.00 0.62 C ATOM 903 C MET A 59 -6.732 15.976 -2.914 1.00 0.69 C ATOM 904 O MET A 59 -7.767 16.213 -3.533 1.00 1.05 O ATOM 905 CB MET A 59 -6.307 15.780 -0.399 1.00 0.70 C ATOM 906 CG MET A 59 -5.648 16.459 0.813 1.00 0.74 C ATOM 907 SD MET A 59 -6.712 17.555 1.790 1.00 2.21 S ATOM 908 CE MET A 59 -5.603 17.863 3.186 1.00 2.51 C ATOM 0 H MET A 59 -8.033 17.587 -0.649 1.00 0.67 H new ATOM 0 HA MET A 59 -5.405 17.153 -1.811 1.00 0.62 H new ATOM 0 HB2 MET A 59 -7.310 15.449 -0.129 1.00 0.70 H new ATOM 0 HB3 MET A 59 -5.739 14.890 -0.670 1.00 0.70 H new ATOM 0 HG2 MET A 59 -5.259 15.683 1.471 1.00 0.74 H new ATOM 0 HG3 MET A 59 -4.793 17.036 0.460 1.00 0.74 H new ATOM 0 HE1 MET A 59 -6.092 18.526 3.900 1.00 2.51 H new ATOM 0 HE2 MET A 59 -5.362 16.919 3.674 1.00 2.51 H new ATOM 0 HE3 MET A 59 -4.686 18.330 2.826 1.00 2.51 H new ATOM 918 N GLY A 60 -5.828 15.080 -3.328 1.00 0.48 N ATOM 919 CA GLY A 60 -5.934 14.200 -4.498 1.00 0.50 C ATOM 920 C GLY A 60 -5.214 12.860 -4.298 1.00 0.42 C ATOM 921 O GLY A 60 -4.413 12.711 -3.383 1.00 0.48 O ATOM 0 H GLY A 60 -4.951 14.942 -2.826 1.00 0.48 H new ATOM 0 HA2 GLY A 60 -6.986 14.014 -4.713 1.00 0.50 H new ATOM 0 HA3 GLY A 60 -5.515 14.707 -5.368 1.00 0.50 H new ATOM 925 N MET A 61 -5.500 11.892 -5.172 1.00 0.48 N ATOM 926 CA MET A 61 -4.899 10.549 -5.202 1.00 0.51 C ATOM 927 C MET A 61 -4.827 10.050 -6.641 1.00 0.64 C ATOM 928 O MET A 61 -5.746 10.267 -7.430 1.00 0.83 O ATOM 929 CB MET A 61 -5.741 9.598 -4.331 1.00 0.64 C ATOM 930 CG MET A 61 -5.588 8.089 -4.619 1.00 0.60 C ATOM 931 SD MET A 61 -6.904 6.969 -4.038 1.00 0.68 S ATOM 932 CE MET A 61 -7.421 7.794 -2.515 1.00 0.78 C ATOM 0 H MET A 61 -6.188 12.025 -5.913 1.00 0.48 H new ATOM 0 HA MET A 61 -3.885 10.585 -4.803 1.00 0.51 H new ATOM 0 HB2 MET A 61 -5.485 9.774 -3.286 1.00 0.64 H new ATOM 0 HB3 MET A 61 -6.791 9.864 -4.451 1.00 0.64 H new ATOM 0 HG2 MET A 61 -5.494 7.963 -5.698 1.00 0.60 H new ATOM 0 HG3 MET A 61 -4.648 7.758 -4.176 1.00 0.60 H new ATOM 0 HE1 MET A 61 -8.092 7.141 -1.957 1.00 0.78 H new ATOM 0 HE2 MET A 61 -6.544 8.019 -1.907 1.00 0.78 H new ATOM 0 HE3 MET A 61 -7.939 8.721 -2.761 1.00 0.78 H new ATOM 942 N ARG A 62 -3.729 9.370 -6.955 1.00 0.64 N ATOM 943 CA ARG A 62 -3.377 8.843 -8.266 1.00 0.79 C ATOM 944 C ARG A 62 -2.562 7.547 -8.104 1.00 0.81 C ATOM 945 O ARG A 62 -1.962 7.334 -7.046 1.00 0.77 O ATOM 946 CB ARG A 62 -2.494 9.895 -8.938 1.00 0.85 C ATOM 947 CG ARG A 62 -3.207 11.186 -9.358 1.00 1.55 C ATOM 948 CD ARG A 62 -2.148 12.214 -9.758 1.00 1.76 C ATOM 949 NE ARG A 62 -1.344 11.705 -10.878 1.00 2.73 N ATOM 950 CZ ARG A 62 -0.050 11.909 -11.089 1.00 3.57 C ATOM 951 NH1 ARG A 62 0.691 12.614 -10.259 1.00 4.00 N ATOM 952 NH2 ARG A 62 0.514 11.383 -12.156 1.00 5.01 N ATOM 0 H ARG A 62 -3.017 9.160 -6.255 1.00 0.64 H new ATOM 0 HA ARG A 62 -4.271 8.628 -8.851 1.00 0.79 H new ATOM 0 HB2 ARG A 62 -1.684 10.154 -8.256 1.00 0.85 H new ATOM 0 HB3 ARG A 62 -2.037 9.449 -9.821 1.00 0.85 H new ATOM 0 HG2 ARG A 62 -3.882 10.993 -10.192 1.00 1.55 H new ATOM 0 HG3 ARG A 62 -3.815 11.567 -8.538 1.00 1.55 H new ATOM 0 HD2 ARG A 62 -2.629 13.150 -10.042 1.00 1.76 H new ATOM 0 HD3 ARG A 62 -1.503 12.432 -8.907 1.00 1.76 H new ATOM 0 HE ARG A 62 -1.833 11.134 -11.567 1.00 2.73 H new ATOM 0 HH11 ARG A 62 0.273 13.023 -9.423 1.00 4.00 H new ATOM 0 HH12 ARG A 62 1.683 12.751 -10.452 1.00 4.00 H new ATOM 0 HH21 ARG A 62 -0.043 10.828 -12.806 1.00 5.01 H new ATOM 0 HH22 ARG A 62 1.508 11.530 -12.333 1.00 5.01 H new ATOM 966 N PRO A 63 -2.486 6.684 -9.134 1.00 0.85 N ATOM 967 CA PRO A 63 -1.545 5.574 -9.150 1.00 0.80 C ATOM 968 C PRO A 63 -0.113 6.061 -9.376 1.00 0.78 C ATOM 969 O PRO A 63 0.091 7.103 -10.001 1.00 0.81 O ATOM 970 CB PRO A 63 -2.029 4.641 -10.256 1.00 0.84 C ATOM 971 CG PRO A 63 -2.672 5.607 -11.252 1.00 0.92 C ATOM 972 CD PRO A 63 -3.280 6.687 -10.354 1.00 0.94 C ATOM 0 HA PRO A 63 -1.514 5.053 -8.193 1.00 0.80 H new ATOM 0 HB2 PRO A 63 -1.207 4.084 -10.705 1.00 0.84 H new ATOM 0 HB3 PRO A 63 -2.744 3.908 -9.883 1.00 0.84 H new ATOM 0 HG2 PRO A 63 -1.937 6.023 -11.940 1.00 0.92 H new ATOM 0 HG3 PRO A 63 -3.432 5.113 -11.858 1.00 0.92 H new ATOM 0 HD2 PRO A 63 -3.247 7.663 -10.839 1.00 0.94 H new ATOM 0 HD3 PRO A 63 -4.327 6.473 -10.139 1.00 0.94 H new ATOM 980 N VAL A 64 0.869 5.297 -8.880 1.00 0.77 N ATOM 981 CA VAL A 64 2.306 5.557 -9.108 1.00 0.70 C ATOM 982 C VAL A 64 2.970 4.317 -9.734 1.00 0.63 C ATOM 983 O VAL A 64 2.395 3.234 -9.653 1.00 0.62 O ATOM 984 CB VAL A 64 3.044 6.024 -7.821 1.00 0.67 C ATOM 985 CG1 VAL A 64 3.375 7.523 -7.929 1.00 0.77 C ATOM 986 CG2 VAL A 64 2.279 5.821 -6.502 1.00 1.06 C ATOM 0 H VAL A 64 0.693 4.474 -8.304 1.00 0.77 H new ATOM 0 HA VAL A 64 2.387 6.387 -9.809 1.00 0.70 H new ATOM 0 HB VAL A 64 3.929 5.390 -7.774 1.00 0.67 H new ATOM 0 HG11 VAL A 64 3.892 7.847 -7.026 1.00 0.77 H new ATOM 0 HG12 VAL A 64 4.015 7.693 -8.795 1.00 0.77 H new ATOM 0 HG13 VAL A 64 2.452 8.092 -8.043 1.00 0.77 H new ATOM 0 HG21 VAL A 64 2.885 6.181 -5.671 1.00 1.06 H new ATOM 0 HG22 VAL A 64 1.342 6.377 -6.535 1.00 1.06 H new ATOM 0 HG23 VAL A 64 2.067 4.761 -6.364 1.00 1.06 H new ATOM 996 N PRO A 65 4.137 4.446 -10.401 1.00 0.63 N ATOM 997 CA PRO A 65 4.741 3.352 -11.164 1.00 0.62 C ATOM 998 C PRO A 65 5.528 2.372 -10.284 1.00 0.57 C ATOM 999 O PRO A 65 5.655 1.211 -10.660 1.00 0.59 O ATOM 1000 CB PRO A 65 5.647 4.047 -12.183 1.00 0.69 C ATOM 1001 CG PRO A 65 6.124 5.292 -11.436 1.00 0.69 C ATOM 1002 CD PRO A 65 4.914 5.668 -10.581 1.00 0.69 C ATOM 0 HA PRO A 65 3.979 2.732 -11.636 1.00 0.62 H new ATOM 0 HB2 PRO A 65 6.481 3.411 -12.479 1.00 0.69 H new ATOM 0 HB3 PRO A 65 5.105 4.306 -13.092 1.00 0.69 H new ATOM 0 HG2 PRO A 65 7.001 5.083 -10.824 1.00 0.69 H new ATOM 0 HG3 PRO A 65 6.398 6.094 -12.122 1.00 0.69 H new ATOM 0 HD2 PRO A 65 5.229 6.072 -9.619 1.00 0.69 H new ATOM 0 HD3 PRO A 65 4.318 6.438 -11.070 1.00 0.69 H new ATOM 1010 N PHE A 66 6.029 2.836 -9.131 1.00 0.54 N ATOM 1011 CA PHE A 66 6.838 2.097 -8.158 1.00 0.49 C ATOM 1012 C PHE A 66 7.204 2.991 -6.965 1.00 0.47 C ATOM 1013 O PHE A 66 7.090 4.216 -7.045 1.00 0.52 O ATOM 1014 CB PHE A 66 8.114 1.527 -8.813 1.00 0.54 C ATOM 1015 CG PHE A 66 9.055 2.565 -9.374 1.00 0.61 C ATOM 1016 CD1 PHE A 66 9.985 3.187 -8.527 1.00 1.49 C ATOM 1017 CD2 PHE A 66 8.983 2.926 -10.729 1.00 2.13 C ATOM 1018 CE1 PHE A 66 10.808 4.212 -9.011 1.00 1.46 C ATOM 1019 CE2 PHE A 66 9.829 3.937 -11.228 1.00 2.20 C ATOM 1020 CZ PHE A 66 10.733 4.587 -10.364 1.00 0.76 C ATOM 0 H PHE A 66 5.869 3.799 -8.836 1.00 0.54 H new ATOM 0 HA PHE A 66 6.240 1.261 -7.795 1.00 0.49 H new ATOM 0 HB2 PHE A 66 8.650 0.932 -8.074 1.00 0.54 H new ATOM 0 HB3 PHE A 66 7.822 0.850 -9.616 1.00 0.54 H new ATOM 0 HD1 PHE A 66 10.067 2.874 -7.497 1.00 1.49 H new ATOM 0 HD2 PHE A 66 8.283 2.431 -11.386 1.00 2.13 H new ATOM 0 HE1 PHE A 66 11.498 4.712 -8.347 1.00 1.46 H new ATOM 0 HE2 PHE A 66 9.785 4.213 -12.271 1.00 2.20 H new ATOM 0 HZ PHE A 66 11.369 5.374 -10.742 1.00 0.76 H new ATOM 1030 N LEU A 67 7.709 2.386 -5.886 1.00 0.45 N ATOM 1031 CA LEU A 67 8.453 3.077 -4.822 1.00 0.48 C ATOM 1032 C LEU A 67 9.922 2.638 -4.833 1.00 0.55 C ATOM 1033 O LEU A 67 10.225 1.510 -5.221 1.00 0.55 O ATOM 1034 CB LEU A 67 7.853 2.787 -3.434 1.00 0.48 C ATOM 1035 CG LEU A 67 6.346 3.033 -3.264 1.00 0.46 C ATOM 1036 CD1 LEU A 67 5.982 2.805 -1.794 1.00 0.54 C ATOM 1037 CD2 LEU A 67 5.880 4.439 -3.664 1.00 0.48 C ATOM 0 H LEU A 67 7.612 1.384 -5.722 1.00 0.45 H new ATOM 0 HA LEU A 67 8.382 4.147 -5.016 1.00 0.48 H new ATOM 0 HB2 LEU A 67 8.057 1.745 -3.187 1.00 0.48 H new ATOM 0 HB3 LEU A 67 8.381 3.397 -2.702 1.00 0.48 H new ATOM 0 HG LEU A 67 5.843 2.338 -3.937 1.00 0.46 H new ATOM 0 HD11 LEU A 67 4.915 2.975 -1.653 1.00 0.54 H new ATOM 0 HD12 LEU A 67 6.226 1.781 -1.513 1.00 0.54 H new ATOM 0 HD13 LEU A 67 6.546 3.497 -1.168 1.00 0.54 H new ATOM 0 HD21 LEU A 67 4.804 4.523 -3.511 1.00 0.48 H new ATOM 0 HD22 LEU A 67 6.392 5.180 -3.051 1.00 0.48 H new ATOM 0 HD23 LEU A 67 6.112 4.614 -4.714 1.00 0.48 H new ATOM 1049 N GLU A 68 10.806 3.522 -4.374 1.00 0.65 N ATOM 1050 CA GLU A 68 12.261 3.332 -4.355 1.00 0.84 C ATOM 1051 C GLU A 68 12.782 3.418 -2.920 1.00 0.95 C ATOM 1052 O GLU A 68 12.371 4.314 -2.183 1.00 1.02 O ATOM 1053 CB GLU A 68 12.941 4.437 -5.182 1.00 1.03 C ATOM 1054 CG GLU A 68 14.474 4.314 -5.259 1.00 1.25 C ATOM 1055 CD GLU A 68 14.911 3.313 -6.331 1.00 1.22 C ATOM 1056 OE1 GLU A 68 14.299 2.231 -6.448 1.00 2.19 O ATOM 1057 OE2 GLU A 68 15.791 3.660 -7.144 1.00 2.01 O ATOM 0 H GLU A 68 10.522 4.424 -3.991 1.00 0.65 H new ATOM 0 HA GLU A 68 12.487 2.352 -4.776 1.00 0.84 H new ATOM 0 HB2 GLU A 68 12.535 4.420 -6.193 1.00 1.03 H new ATOM 0 HB3 GLU A 68 12.686 5.406 -4.752 1.00 1.03 H new ATOM 0 HG2 GLU A 68 14.907 5.291 -5.476 1.00 1.25 H new ATOM 0 HG3 GLU A 68 14.863 4.001 -4.290 1.00 1.25 H new ATOM 1064 N VAL A 69 13.730 2.545 -2.559 1.00 1.07 N ATOM 1065 CA VAL A 69 14.384 2.550 -1.242 1.00 1.19 C ATOM 1066 C VAL A 69 15.863 2.117 -1.298 1.00 1.29 C ATOM 1067 O VAL A 69 16.181 1.115 -1.940 1.00 1.34 O ATOM 1068 CB VAL A 69 13.572 1.670 -0.253 1.00 1.15 C ATOM 1069 CG1 VAL A 69 14.344 1.164 0.978 1.00 1.59 C ATOM 1070 CG2 VAL A 69 12.326 2.415 0.238 1.00 1.25 C ATOM 0 H VAL A 69 14.069 1.808 -3.177 1.00 1.07 H new ATOM 0 HA VAL A 69 14.394 3.580 -0.885 1.00 1.19 H new ATOM 0 HB VAL A 69 13.315 0.789 -0.841 1.00 1.15 H new ATOM 0 HG11 VAL A 69 13.682 0.561 1.600 1.00 1.59 H new ATOM 0 HG12 VAL A 69 15.190 0.558 0.653 1.00 1.59 H new ATOM 0 HG13 VAL A 69 14.708 2.015 1.554 1.00 1.59 H new ATOM 0 HG21 VAL A 69 11.772 1.781 0.930 1.00 1.25 H new ATOM 0 HG22 VAL A 69 12.627 3.331 0.747 1.00 1.25 H new ATOM 0 HG23 VAL A 69 11.692 2.664 -0.613 1.00 1.25 H new ATOM 1080 N PRO A 70 16.780 2.822 -0.602 1.00 1.35 N ATOM 1081 CA PRO A 70 18.193 2.458 -0.532 1.00 1.44 C ATOM 1082 C PRO A 70 18.436 1.237 0.381 1.00 1.47 C ATOM 1083 O PRO A 70 17.543 0.842 1.135 1.00 1.50 O ATOM 1084 CB PRO A 70 18.893 3.713 0.012 1.00 1.53 C ATOM 1085 CG PRO A 70 17.831 4.342 0.910 1.00 1.50 C ATOM 1086 CD PRO A 70 16.542 4.051 0.149 1.00 1.38 C ATOM 0 HA PRO A 70 18.578 2.159 -1.507 1.00 1.44 H new ATOM 0 HB2 PRO A 70 19.795 3.461 0.570 1.00 1.53 H new ATOM 0 HB3 PRO A 70 19.193 4.387 -0.791 1.00 1.53 H new ATOM 0 HG2 PRO A 70 17.825 3.896 1.905 1.00 1.50 H new ATOM 0 HG3 PRO A 70 17.992 5.412 1.041 1.00 1.50 H new ATOM 0 HD2 PRO A 70 15.704 3.932 0.835 1.00 1.38 H new ATOM 0 HD3 PRO A 70 16.291 4.874 -0.521 1.00 1.38 H new ATOM 1094 N PRO A 71 19.650 0.651 0.362 1.00 1.49 N ATOM 1095 CA PRO A 71 20.089 -0.287 1.390 1.00 1.37 C ATOM 1096 C PRO A 71 20.085 0.371 2.767 1.00 1.46 C ATOM 1097 O PRO A 71 20.413 1.550 2.895 1.00 1.69 O ATOM 1098 CB PRO A 71 21.479 -0.746 0.970 1.00 1.40 C ATOM 1099 CG PRO A 71 22.000 0.369 0.072 1.00 1.54 C ATOM 1100 CD PRO A 71 20.734 0.916 -0.576 1.00 1.56 C ATOM 0 HA PRO A 71 19.416 -1.140 1.476 1.00 1.37 H new ATOM 0 HB2 PRO A 71 22.126 -0.892 1.835 1.00 1.40 H new ATOM 0 HB3 PRO A 71 21.438 -1.696 0.438 1.00 1.40 H new ATOM 0 HG2 PRO A 71 22.523 1.135 0.644 1.00 1.54 H new ATOM 0 HG3 PRO A 71 22.702 -0.008 -0.672 1.00 1.54 H new ATOM 0 HD2 PRO A 71 20.827 1.984 -0.772 1.00 1.56 H new ATOM 0 HD3 PRO A 71 20.547 0.432 -1.534 1.00 1.56 H new ATOM 1108 N LYS A 72 19.668 -0.389 3.789 1.00 1.36 N ATOM 1109 CA LYS A 72 19.510 0.057 5.189 1.00 1.55 C ATOM 1110 C LYS A 72 18.392 1.105 5.381 1.00 1.76 C ATOM 1111 O LYS A 72 18.155 1.577 6.490 1.00 2.03 O ATOM 1112 CB LYS A 72 20.860 0.513 5.779 1.00 1.74 C ATOM 1113 CG LYS A 72 22.063 -0.363 5.386 1.00 1.89 C ATOM 1114 CD LYS A 72 21.947 -1.846 5.779 1.00 1.53 C ATOM 1115 CE LYS A 72 23.073 -2.620 5.087 1.00 1.76 C ATOM 1116 NZ LYS A 72 23.114 -4.049 5.473 1.00 1.69 N ATOM 0 H LYS A 72 19.421 -1.370 3.663 1.00 1.36 H new ATOM 0 HA LYS A 72 19.177 -0.811 5.758 1.00 1.55 H new ATOM 0 HB2 LYS A 72 21.054 1.537 5.459 1.00 1.74 H new ATOM 0 HB3 LYS A 72 20.779 0.529 6.866 1.00 1.74 H new ATOM 0 HG2 LYS A 72 22.202 -0.299 4.307 1.00 1.89 H new ATOM 0 HG3 LYS A 72 22.960 0.050 5.848 1.00 1.89 H new ATOM 0 HD2 LYS A 72 22.019 -1.958 6.861 1.00 1.53 H new ATOM 0 HD3 LYS A 72 20.976 -2.242 5.481 1.00 1.53 H new ATOM 0 HE2 LYS A 72 22.948 -2.544 4.007 1.00 1.76 H new ATOM 0 HE3 LYS A 72 24.029 -2.156 5.331 1.00 1.76 H new ATOM 0 HZ1 LYS A 72 24.026 -4.260 5.926 1.00 1.69 H new ATOM 0 HZ2 LYS A 72 22.342 -4.251 6.140 1.00 1.69 H new ATOM 0 HZ3 LYS A 72 23.003 -4.641 4.625 1.00 1.69 H new ATOM 1130 N GLY A 73 17.694 1.445 4.295 1.00 1.75 N ATOM 1131 CA GLY A 73 16.429 2.189 4.264 1.00 1.89 C ATOM 1132 C GLY A 73 15.231 1.270 4.509 1.00 1.75 C ATOM 1133 O GLY A 73 15.401 0.079 4.770 1.00 1.44 O ATOM 0 H GLY A 73 18.013 1.195 3.359 1.00 1.75 H new ATOM 0 HA2 GLY A 73 16.448 2.973 5.021 1.00 1.89 H new ATOM 0 HA3 GLY A 73 16.319 2.682 3.298 1.00 1.89 H new ATOM 1137 N ARG A 74 14.006 1.809 4.418 1.00 2.27 N ATOM 1138 CA ARG A 74 12.771 1.020 4.539 1.00 2.26 C ATOM 1139 C ARG A 74 11.608 1.539 3.691 1.00 2.63 C ATOM 1140 O ARG A 74 11.481 2.734 3.429 1.00 3.09 O ATOM 1141 CB ARG A 74 12.358 0.854 6.007 1.00 2.28 C ATOM 1142 CG ARG A 74 11.884 2.119 6.719 1.00 2.59 C ATOM 1143 CD ARG A 74 10.879 1.759 7.784 1.00 2.35 C ATOM 1144 NE ARG A 74 10.568 2.909 8.615 1.00 3.34 N ATOM 1145 CZ ARG A 74 11.254 3.342 9.651 1.00 4.20 C ATOM 1146 NH1 ARG A 74 12.304 2.708 10.138 1.00 4.75 N ATOM 1147 NH2 ARG A 74 10.849 4.476 10.172 1.00 5.66 N ATOM 0 H ARG A 74 13.844 2.803 4.259 1.00 2.27 H new ATOM 0 HA ARG A 74 13.013 0.039 4.130 1.00 2.26 H new ATOM 0 HB2 ARG A 74 11.560 0.113 6.057 1.00 2.28 H new ATOM 0 HB3 ARG A 74 13.206 0.448 6.558 1.00 2.28 H new ATOM 0 HG2 ARG A 74 12.733 2.635 7.167 1.00 2.59 H new ATOM 0 HG3 ARG A 74 11.436 2.806 6.001 1.00 2.59 H new ATOM 0 HD2 ARG A 74 9.967 1.385 7.318 1.00 2.35 H new ATOM 0 HD3 ARG A 74 11.273 0.954 8.404 1.00 2.35 H new ATOM 0 HE ARG A 74 9.730 3.436 8.370 1.00 3.34 H new ATOM 0 HH11 ARG A 74 12.619 1.838 9.708 1.00 4.75 H new ATOM 0 HH12 ARG A 74 12.800 3.088 10.944 1.00 4.75 H new ATOM 0 HH21 ARG A 74 10.048 4.964 9.772 1.00 5.66 H new ATOM 0 HH22 ARG A 74 11.335 4.870 10.977 1.00 5.66 H new ATOM 1161 N VAL A 75 10.753 0.607 3.287 1.00 2.72 N ATOM 1162 CA VAL A 75 9.609 0.756 2.384 1.00 3.41 C ATOM 1163 C VAL A 75 8.358 0.892 3.250 1.00 2.43 C ATOM 1164 O VAL A 75 7.928 -0.090 3.842 1.00 2.11 O ATOM 1165 CB VAL A 75 9.503 -0.495 1.466 1.00 4.49 C ATOM 1166 CG1 VAL A 75 8.301 -0.418 0.512 1.00 5.40 C ATOM 1167 CG2 VAL A 75 10.777 -0.720 0.632 1.00 5.49 C ATOM 0 H VAL A 75 10.847 -0.356 3.608 1.00 2.72 H new ATOM 0 HA VAL A 75 9.723 1.633 1.747 1.00 3.41 H new ATOM 0 HB VAL A 75 9.368 -1.336 2.146 1.00 4.49 H new ATOM 0 HG11 VAL A 75 8.270 -1.314 -0.108 1.00 5.40 H new ATOM 0 HG12 VAL A 75 7.381 -0.346 1.091 1.00 5.40 H new ATOM 0 HG13 VAL A 75 8.398 0.461 -0.125 1.00 5.40 H new ATOM 0 HG21 VAL A 75 10.652 -1.605 0.008 1.00 5.49 H new ATOM 0 HG22 VAL A 75 10.955 0.149 -0.002 1.00 5.49 H new ATOM 0 HG23 VAL A 75 11.628 -0.863 1.298 1.00 5.49 H new ATOM 1177 N GLU A 76 7.793 2.093 3.354 1.00 2.35 N ATOM 1178 CA GLU A 76 6.594 2.365 4.164 1.00 1.55 C ATOM 1179 C GLU A 76 5.502 3.042 3.328 1.00 1.28 C ATOM 1180 O GLU A 76 5.592 4.217 2.954 1.00 1.40 O ATOM 1181 CB GLU A 76 6.890 3.160 5.458 1.00 2.04 C ATOM 1182 CG GLU A 76 8.284 3.782 5.592 1.00 3.11 C ATOM 1183 CD GLU A 76 8.288 4.930 6.604 1.00 3.13 C ATOM 1184 OE1 GLU A 76 7.940 6.061 6.197 1.00 3.94 O ATOM 1185 OE2 GLU A 76 8.656 4.686 7.775 1.00 3.32 O ATOM 0 H GLU A 76 8.154 2.918 2.875 1.00 2.35 H new ATOM 0 HA GLU A 76 6.224 1.393 4.491 1.00 1.55 H new ATOM 0 HB2 GLU A 76 6.154 3.960 5.540 1.00 2.04 H new ATOM 0 HB3 GLU A 76 6.733 2.495 6.307 1.00 2.04 H new ATOM 0 HG2 GLU A 76 8.997 3.018 5.903 1.00 3.11 H new ATOM 0 HG3 GLU A 76 8.615 4.150 4.621 1.00 3.11 H new ATOM 1192 N LEU A 77 4.432 2.289 3.080 1.00 1.02 N ATOM 1193 CA LEU A 77 3.180 2.784 2.533 1.00 0.86 C ATOM 1194 C LEU A 77 2.370 3.340 3.703 1.00 1.24 C ATOM 1195 O LEU A 77 1.506 2.683 4.288 1.00 2.29 O ATOM 1196 CB LEU A 77 2.490 1.678 1.718 1.00 0.83 C ATOM 1197 CG LEU A 77 3.294 1.355 0.437 1.00 0.80 C ATOM 1198 CD1 LEU A 77 4.096 0.054 0.583 1.00 1.03 C ATOM 1199 CD2 LEU A 77 2.373 1.279 -0.788 1.00 1.06 C ATOM 0 H LEU A 77 4.417 1.285 3.262 1.00 1.02 H new ATOM 0 HA LEU A 77 3.317 3.596 1.819 1.00 0.86 H new ATOM 0 HB2 LEU A 77 2.392 0.779 2.327 1.00 0.83 H new ATOM 0 HB3 LEU A 77 1.482 1.993 1.450 1.00 0.83 H new ATOM 0 HG LEU A 77 4.002 2.170 0.289 1.00 0.80 H new ATOM 0 HD11 LEU A 77 4.647 -0.139 -0.337 1.00 1.03 H new ATOM 0 HD12 LEU A 77 4.797 0.150 1.413 1.00 1.03 H new ATOM 0 HD13 LEU A 77 3.414 -0.774 0.778 1.00 1.03 H new ATOM 0 HD21 LEU A 77 2.965 1.051 -1.674 1.00 1.06 H new ATOM 0 HD22 LEU A 77 1.630 0.496 -0.636 1.00 1.06 H new ATOM 0 HD23 LEU A 77 1.869 2.236 -0.925 1.00 1.06 H new ATOM 1211 N LYS A 78 2.759 4.551 4.098 1.00 1.11 N ATOM 1212 CA LYS A 78 2.223 5.262 5.253 1.00 1.43 C ATOM 1213 C LYS A 78 0.792 5.801 5.020 1.00 1.31 C ATOM 1214 O LYS A 78 0.503 6.331 3.940 1.00 1.17 O ATOM 1215 CB LYS A 78 3.231 6.352 5.658 1.00 1.82 C ATOM 1216 CG LYS A 78 3.398 7.482 4.617 1.00 1.44 C ATOM 1217 CD LYS A 78 4.828 8.047 4.625 1.00 1.89 C ATOM 1218 CE LYS A 78 5.778 7.082 3.902 1.00 2.78 C ATOM 1219 NZ LYS A 78 7.197 7.453 4.077 1.00 3.61 N ATOM 0 H LYS A 78 3.479 5.080 3.606 1.00 1.11 H new ATOM 0 HA LYS A 78 2.104 4.566 6.084 1.00 1.43 H new ATOM 0 HB2 LYS A 78 2.914 6.790 6.605 1.00 1.82 H new ATOM 0 HB3 LYS A 78 4.201 5.887 5.831 1.00 1.82 H new ATOM 0 HG2 LYS A 78 3.161 7.101 3.624 1.00 1.44 H new ATOM 0 HG3 LYS A 78 2.688 8.282 4.829 1.00 1.44 H new ATOM 0 HD2 LYS A 78 4.846 9.021 4.137 1.00 1.89 H new ATOM 0 HD3 LYS A 78 5.162 8.199 5.651 1.00 1.89 H new ATOM 0 HE2 LYS A 78 5.620 6.071 4.278 1.00 2.78 H new ATOM 0 HE3 LYS A 78 5.537 7.068 2.839 1.00 2.78 H new ATOM 0 HZ1 LYS A 78 7.675 7.441 3.154 1.00 3.61 H new ATOM 0 HZ2 LYS A 78 7.258 8.407 4.486 1.00 3.61 H new ATOM 0 HZ3 LYS A 78 7.658 6.773 4.715 1.00 3.61 H new ATOM 1233 N PRO A 79 -0.091 5.730 6.037 1.00 1.57 N ATOM 1234 CA PRO A 79 -1.463 6.199 5.921 1.00 1.68 C ATOM 1235 C PRO A 79 -1.501 7.694 5.612 1.00 1.77 C ATOM 1236 O PRO A 79 -0.674 8.459 6.106 1.00 3.48 O ATOM 1237 CB PRO A 79 -2.142 5.858 7.253 1.00 2.03 C ATOM 1238 CG PRO A 79 -0.973 5.883 8.236 1.00 2.11 C ATOM 1239 CD PRO A 79 0.165 5.293 7.406 1.00 1.90 C ATOM 0 HA PRO A 79 -1.989 5.719 5.096 1.00 1.68 H new ATOM 0 HB2 PRO A 79 -2.909 6.587 7.516 1.00 2.03 H new ATOM 0 HB3 PRO A 79 -2.626 4.882 7.223 1.00 2.03 H new ATOM 0 HG2 PRO A 79 -0.748 6.895 8.574 1.00 2.11 H new ATOM 0 HG3 PRO A 79 -1.178 5.288 9.126 1.00 2.11 H new ATOM 0 HD2 PRO A 79 1.134 5.648 7.758 1.00 1.90 H new ATOM 0 HD3 PRO A 79 0.180 4.205 7.476 1.00 1.90 H new ATOM 1247 N GLY A 80 -2.457 8.096 4.771 1.00 1.43 N ATOM 1248 CA GLY A 80 -2.607 9.483 4.311 1.00 1.52 C ATOM 1249 C GLY A 80 -1.758 9.850 3.089 1.00 1.40 C ATOM 1250 O GLY A 80 -2.023 10.885 2.489 1.00 2.09 O ATOM 0 H GLY A 80 -3.157 7.463 4.385 1.00 1.43 H new ATOM 0 HA2 GLY A 80 -3.656 9.661 4.074 1.00 1.52 H new ATOM 0 HA3 GLY A 80 -2.347 10.153 5.131 1.00 1.52 H new ATOM 1254 N GLY A 81 -0.781 9.020 2.700 1.00 0.97 N ATOM 1255 CA GLY A 81 0.013 9.164 1.467 1.00 0.90 C ATOM 1256 C GLY A 81 0.030 7.875 0.657 1.00 1.03 C ATOM 1257 O GLY A 81 -0.978 7.495 0.070 1.00 1.87 O ATOM 0 H GLY A 81 -0.511 8.204 3.250 1.00 0.97 H new ATOM 0 HA2 GLY A 81 -0.399 9.970 0.860 1.00 0.90 H new ATOM 0 HA3 GLY A 81 1.034 9.447 1.722 1.00 0.90 H new ATOM 1261 N TYR A 82 1.176 7.192 0.603 1.00 0.63 N ATOM 1262 CA TYR A 82 1.344 6.033 -0.277 1.00 0.62 C ATOM 1263 C TYR A 82 0.635 4.799 0.265 1.00 0.65 C ATOM 1264 O TYR A 82 0.673 4.507 1.456 1.00 0.74 O ATOM 1265 CB TYR A 82 2.819 5.726 -0.497 1.00 0.65 C ATOM 1266 CG TYR A 82 3.522 6.819 -1.264 1.00 0.63 C ATOM 1267 CD1 TYR A 82 3.474 6.805 -2.664 1.00 1.82 C ATOM 1268 CD2 TYR A 82 4.165 7.875 -0.590 1.00 2.08 C ATOM 1269 CE1 TYR A 82 4.123 7.804 -3.402 1.00 1.84 C ATOM 1270 CE2 TYR A 82 4.770 8.912 -1.326 1.00 2.10 C ATOM 1271 CZ TYR A 82 4.756 8.877 -2.740 1.00 0.73 C ATOM 1272 OH TYR A 82 5.312 9.886 -3.465 1.00 0.86 O ATOM 0 H TYR A 82 2.001 7.421 1.158 1.00 0.63 H new ATOM 0 HA TYR A 82 0.887 6.293 -1.232 1.00 0.62 H new ATOM 0 HB2 TYR A 82 3.308 5.590 0.468 1.00 0.65 H new ATOM 0 HB3 TYR A 82 2.915 4.785 -1.039 1.00 0.65 H new ATOM 0 HD1 TYR A 82 2.935 6.022 -3.176 1.00 1.82 H new ATOM 0 HD2 TYR A 82 4.194 7.890 0.490 1.00 2.08 H new ATOM 0 HE1 TYR A 82 4.139 7.752 -4.481 1.00 1.84 H new ATOM 0 HE2 TYR A 82 5.245 9.734 -0.811 1.00 2.10 H new ATOM 0 HH TYR A 82 5.706 10.547 -2.858 1.00 0.86 H new ATOM 1282 N HIS A 83 -0.033 4.085 -0.629 1.00 0.60 N ATOM 1283 CA HIS A 83 -0.926 2.980 -0.261 1.00 0.60 C ATOM 1284 C HIS A 83 -1.194 2.062 -1.455 1.00 0.61 C ATOM 1285 O HIS A 83 -1.198 2.523 -2.595 1.00 0.64 O ATOM 1286 CB HIS A 83 -2.221 3.514 0.372 1.00 0.60 C ATOM 1287 CG HIS A 83 -3.086 4.320 -0.560 1.00 0.56 C ATOM 1288 ND1 HIS A 83 -2.967 5.665 -0.839 1.00 0.55 N ATOM 1289 CD2 HIS A 83 -4.110 3.832 -1.329 1.00 0.58 C ATOM 1290 CE1 HIS A 83 -3.881 5.978 -1.767 1.00 0.58 C ATOM 1291 NE2 HIS A 83 -4.607 4.896 -2.083 1.00 0.59 N ATOM 0 H HIS A 83 0.024 4.251 -1.634 1.00 0.60 H new ATOM 0 HA HIS A 83 -0.428 2.371 0.493 1.00 0.60 H new ATOM 0 HB2 HIS A 83 -2.801 2.671 0.748 1.00 0.60 H new ATOM 0 HB3 HIS A 83 -1.962 4.131 1.232 1.00 0.60 H new ATOM 0 HD1 HIS A 83 -2.300 6.309 -0.413 1.00 0.55 H new ATOM 0 HD2 HIS A 83 -4.466 2.813 -1.348 1.00 0.58 H new ATOM 0 HE1 HIS A 83 -4.014 6.959 -2.198 1.00 0.58 H new ATOM 1299 N PHE A 84 -1.482 0.782 -1.223 1.00 0.63 N ATOM 1300 CA PHE A 84 -2.021 -0.072 -2.283 1.00 0.64 C ATOM 1301 C PHE A 84 -3.542 0.110 -2.377 1.00 0.62 C ATOM 1302 O PHE A 84 -4.214 0.216 -1.355 1.00 0.65 O ATOM 1303 CB PHE A 84 -1.594 -1.528 -2.060 1.00 0.65 C ATOM 1304 CG PHE A 84 -0.152 -1.807 -2.453 1.00 0.54 C ATOM 1305 CD1 PHE A 84 0.180 -2.023 -3.805 1.00 2.06 C ATOM 1306 CD2 PHE A 84 0.868 -1.847 -1.483 1.00 2.13 C ATOM 1307 CE1 PHE A 84 1.504 -2.310 -4.178 1.00 2.26 C ATOM 1308 CE2 PHE A 84 2.190 -2.152 -1.851 1.00 1.99 C ATOM 1309 CZ PHE A 84 2.507 -2.382 -3.200 1.00 0.73 C ATOM 0 H PHE A 84 -1.354 0.317 -0.324 1.00 0.63 H new ATOM 0 HA PHE A 84 -1.610 0.224 -3.248 1.00 0.64 H new ATOM 0 HB2 PHE A 84 -1.731 -1.781 -1.009 1.00 0.65 H new ATOM 0 HB3 PHE A 84 -2.251 -2.182 -2.633 1.00 0.65 H new ATOM 0 HD1 PHE A 84 -0.589 -1.968 -4.561 1.00 2.06 H new ATOM 0 HD2 PHE A 84 0.633 -1.642 -0.449 1.00 2.13 H new ATOM 0 HE1 PHE A 84 1.749 -2.475 -5.217 1.00 2.26 H new ATOM 0 HE2 PHE A 84 2.961 -2.209 -1.097 1.00 1.99 H new ATOM 0 HZ PHE A 84 3.523 -2.614 -3.484 1.00 0.73 H new ATOM 1319 N MET A 85 -4.095 0.138 -3.592 1.00 0.59 N ATOM 1320 CA MET A 85 -5.525 0.048 -3.895 1.00 0.52 C ATOM 1321 C MET A 85 -5.830 -1.382 -4.333 1.00 0.45 C ATOM 1322 O MET A 85 -5.141 -1.918 -5.197 1.00 0.47 O ATOM 1323 CB MET A 85 -5.910 1.011 -5.016 1.00 0.57 C ATOM 1324 CG MET A 85 -7.334 1.544 -4.801 1.00 0.63 C ATOM 1325 SD MET A 85 -7.459 2.865 -3.549 1.00 0.58 S ATOM 1326 CE MET A 85 -9.262 2.895 -3.324 1.00 0.53 C ATOM 0 H MET A 85 -3.528 0.229 -4.435 1.00 0.59 H new ATOM 0 HA MET A 85 -6.097 0.315 -3.007 1.00 0.52 H new ATOM 0 HB2 MET A 85 -5.205 1.842 -5.048 1.00 0.57 H new ATOM 0 HB3 MET A 85 -5.847 0.503 -5.978 1.00 0.57 H new ATOM 0 HG2 MET A 85 -7.715 1.921 -5.750 1.00 0.63 H new ATOM 0 HG3 MET A 85 -7.978 0.716 -4.505 1.00 0.63 H new ATOM 0 HE1 MET A 85 -9.524 3.652 -2.585 1.00 0.53 H new ATOM 0 HE2 MET A 85 -9.743 3.132 -4.273 1.00 0.53 H new ATOM 0 HE3 MET A 85 -9.602 1.919 -2.979 1.00 0.53 H new ATOM 1336 N LEU A 86 -6.867 -1.984 -3.759 1.00 0.45 N ATOM 1337 CA LEU A 86 -7.295 -3.352 -4.037 1.00 0.46 C ATOM 1338 C LEU A 86 -8.614 -3.292 -4.806 1.00 0.44 C ATOM 1339 O LEU A 86 -9.567 -2.641 -4.363 1.00 0.52 O ATOM 1340 CB LEU A 86 -7.504 -4.119 -2.720 1.00 0.57 C ATOM 1341 CG LEU A 86 -6.252 -4.573 -1.942 1.00 0.68 C ATOM 1342 CD1 LEU A 86 -5.362 -3.426 -1.436 1.00 0.81 C ATOM 1343 CD2 LEU A 86 -6.731 -5.384 -0.729 1.00 0.84 C ATOM 0 H LEU A 86 -7.452 -1.519 -3.065 1.00 0.45 H new ATOM 0 HA LEU A 86 -6.534 -3.867 -4.623 1.00 0.46 H new ATOM 0 HB2 LEU A 86 -8.099 -3.490 -2.058 1.00 0.57 H new ATOM 0 HB3 LEU A 86 -8.100 -5.005 -2.940 1.00 0.57 H new ATOM 0 HG LEU A 86 -5.639 -5.150 -2.634 1.00 0.68 H new ATOM 0 HD11 LEU A 86 -4.506 -3.838 -0.901 1.00 0.81 H new ATOM 0 HD12 LEU A 86 -5.011 -2.837 -2.283 1.00 0.81 H new ATOM 0 HD13 LEU A 86 -5.937 -2.788 -0.764 1.00 0.81 H new ATOM 0 HD21 LEU A 86 -5.869 -5.722 -0.154 1.00 0.84 H new ATOM 0 HD22 LEU A 86 -7.364 -4.758 -0.100 1.00 0.84 H new ATOM 0 HD23 LEU A 86 -7.301 -6.248 -1.071 1.00 0.84 H new ATOM 1355 N LEU A 87 -8.660 -3.963 -5.957 1.00 0.45 N ATOM 1356 CA LEU A 87 -9.819 -4.029 -6.840 1.00 0.56 C ATOM 1357 C LEU A 87 -10.213 -5.497 -7.050 1.00 0.56 C ATOM 1358 O LEU A 87 -9.397 -6.341 -7.431 1.00 0.64 O ATOM 1359 CB LEU A 87 -9.490 -3.362 -8.195 1.00 0.71 C ATOM 1360 CG LEU A 87 -9.337 -1.826 -8.263 1.00 1.00 C ATOM 1361 CD1 LEU A 87 -10.599 -1.105 -7.781 1.00 2.06 C ATOM 1362 CD2 LEU A 87 -8.127 -1.306 -7.484 1.00 2.98 C ATOM 0 H LEU A 87 -7.863 -4.493 -6.310 1.00 0.45 H new ATOM 0 HA LEU A 87 -10.654 -3.495 -6.386 1.00 0.56 H new ATOM 0 HB2 LEU A 87 -8.561 -3.800 -8.559 1.00 0.71 H new ATOM 0 HB3 LEU A 87 -10.273 -3.645 -8.898 1.00 0.71 H new ATOM 0 HG LEU A 87 -9.176 -1.603 -9.318 1.00 1.00 H new ATOM 0 HD11 LEU A 87 -10.449 -0.027 -7.845 1.00 2.06 H new ATOM 0 HD12 LEU A 87 -11.444 -1.392 -8.407 1.00 2.06 H new ATOM 0 HD13 LEU A 87 -10.804 -1.382 -6.747 1.00 2.06 H new ATOM 0 HD21 LEU A 87 -8.077 -0.221 -7.572 1.00 2.98 H new ATOM 0 HD22 LEU A 87 -8.225 -1.581 -6.434 1.00 2.98 H new ATOM 0 HD23 LEU A 87 -7.216 -1.746 -7.891 1.00 2.98 H new ATOM 1374 N GLY A 88 -11.489 -5.783 -6.817 1.00 0.58 N ATOM 1375 CA GLY A 88 -12.098 -7.106 -7.019 1.00 0.66 C ATOM 1376 C GLY A 88 -11.796 -8.089 -5.886 1.00 0.66 C ATOM 1377 O GLY A 88 -11.298 -9.185 -6.141 1.00 0.81 O ATOM 0 H GLY A 88 -12.151 -5.088 -6.473 1.00 0.58 H new ATOM 0 HA2 GLY A 88 -13.178 -6.991 -7.113 1.00 0.66 H new ATOM 0 HA3 GLY A 88 -11.739 -7.524 -7.959 1.00 0.66 H new ATOM 1381 N LEU A 89 -12.053 -7.676 -4.639 1.00 0.66 N ATOM 1382 CA LEU A 89 -11.901 -8.506 -3.436 1.00 0.67 C ATOM 1383 C LEU A 89 -12.515 -9.906 -3.538 1.00 0.70 C ATOM 1384 O LEU A 89 -13.492 -10.144 -4.245 1.00 0.97 O ATOM 1385 CB LEU A 89 -12.475 -7.845 -2.172 1.00 0.87 C ATOM 1386 CG LEU A 89 -12.239 -6.347 -1.935 1.00 1.17 C ATOM 1387 CD1 LEU A 89 -12.762 -6.039 -0.531 1.00 2.83 C ATOM 1388 CD2 LEU A 89 -10.773 -5.917 -2.071 1.00 2.54 C ATOM 0 H LEU A 89 -12.381 -6.732 -4.433 1.00 0.66 H new ATOM 0 HA LEU A 89 -10.818 -8.606 -3.358 1.00 0.67 H new ATOM 0 HB2 LEU A 89 -13.552 -8.010 -2.176 1.00 0.87 H new ATOM 0 HB3 LEU A 89 -12.074 -8.380 -1.311 1.00 0.87 H new ATOM 0 HG LEU A 89 -12.764 -5.783 -2.705 1.00 1.17 H new ATOM 0 HD11 LEU A 89 -12.617 -4.981 -0.313 1.00 2.83 H new ATOM 0 HD12 LEU A 89 -13.824 -6.278 -0.478 1.00 2.83 H new ATOM 0 HD13 LEU A 89 -12.218 -6.638 0.199 1.00 2.83 H new ATOM 0 HD21 LEU A 89 -10.690 -4.846 -1.889 1.00 2.54 H new ATOM 0 HD22 LEU A 89 -10.167 -6.457 -1.344 1.00 2.54 H new ATOM 0 HD23 LEU A 89 -10.419 -6.143 -3.077 1.00 2.54 H new ATOM 1400 N LYS A 90 -11.982 -10.813 -2.718 1.00 0.71 N ATOM 1401 CA LYS A 90 -12.385 -12.232 -2.677 1.00 0.76 C ATOM 1402 C LYS A 90 -13.182 -12.616 -1.406 1.00 0.94 C ATOM 1403 O LYS A 90 -13.505 -13.782 -1.194 1.00 0.91 O ATOM 1404 CB LYS A 90 -11.147 -13.120 -2.898 1.00 0.74 C ATOM 1405 CG LYS A 90 -10.314 -12.768 -4.150 1.00 0.75 C ATOM 1406 CD LYS A 90 -11.090 -12.848 -5.472 1.00 1.16 C ATOM 1407 CE LYS A 90 -10.126 -12.683 -6.656 1.00 1.02 C ATOM 1408 NZ LYS A 90 -10.760 -13.008 -7.955 1.00 1.78 N ATOM 0 H LYS A 90 -11.246 -10.585 -2.050 1.00 0.71 H new ATOM 0 HA LYS A 90 -13.090 -12.403 -3.491 1.00 0.76 H new ATOM 0 HB2 LYS A 90 -10.505 -13.050 -2.020 1.00 0.74 H new ATOM 0 HB3 LYS A 90 -11.470 -14.158 -2.974 1.00 0.74 H new ATOM 0 HG2 LYS A 90 -9.918 -11.759 -4.036 1.00 0.75 H new ATOM 0 HG3 LYS A 90 -9.459 -13.442 -4.204 1.00 0.75 H new ATOM 0 HD2 LYS A 90 -11.606 -13.805 -5.543 1.00 1.16 H new ATOM 0 HD3 LYS A 90 -11.854 -12.071 -5.503 1.00 1.16 H new ATOM 0 HE2 LYS A 90 -9.759 -11.657 -6.681 1.00 1.02 H new ATOM 0 HE3 LYS A 90 -9.260 -13.327 -6.507 1.00 1.02 H new ATOM 0 HZ1 LYS A 90 -10.024 -13.246 -8.651 1.00 1.78 H new ATOM 0 HZ2 LYS A 90 -11.399 -13.820 -7.836 1.00 1.78 H new ATOM 0 HZ3 LYS A 90 -11.302 -12.187 -8.292 1.00 1.78 H new ATOM 1422 N ARG A 91 -13.488 -11.627 -0.555 1.00 1.26 N ATOM 1423 CA ARG A 91 -14.281 -11.672 0.685 1.00 1.38 C ATOM 1424 C ARG A 91 -14.726 -10.230 1.024 1.00 1.28 C ATOM 1425 O ARG A 91 -14.094 -9.302 0.508 1.00 1.32 O ATOM 1426 CB ARG A 91 -13.428 -12.308 1.807 1.00 1.51 C ATOM 1427 CG ARG A 91 -12.429 -11.328 2.444 1.00 2.64 C ATOM 1428 CD ARG A 91 -11.234 -11.970 3.157 1.00 2.93 C ATOM 1429 NE ARG A 91 -11.472 -12.407 4.542 1.00 3.55 N ATOM 1430 CZ ARG A 91 -10.519 -12.894 5.332 1.00 4.31 C ATOM 1431 NH1 ARG A 91 -9.311 -13.164 4.890 1.00 4.78 N ATOM 1432 NH2 ARG A 91 -10.761 -13.078 6.606 1.00 5.23 N ATOM 0 H ARG A 91 -13.154 -10.680 -0.734 1.00 1.26 H new ATOM 0 HA ARG A 91 -15.174 -12.286 0.571 1.00 1.38 H new ATOM 0 HB2 ARG A 91 -14.090 -12.695 2.582 1.00 1.51 H new ATOM 0 HB3 ARG A 91 -12.882 -13.159 1.400 1.00 1.51 H new ATOM 0 HG2 ARG A 91 -12.051 -10.665 1.666 1.00 2.64 H new ATOM 0 HG3 ARG A 91 -12.965 -10.705 3.160 1.00 2.64 H new ATOM 0 HD2 ARG A 91 -10.909 -12.832 2.575 1.00 2.93 H new ATOM 0 HD3 ARG A 91 -10.410 -11.257 3.158 1.00 2.93 H new ATOM 0 HE ARG A 91 -12.418 -12.332 4.916 1.00 3.55 H new ATOM 0 HH11 ARG A 91 -9.078 -13.001 3.910 1.00 4.78 H new ATOM 0 HH12 ARG A 91 -8.606 -13.537 5.527 1.00 4.78 H new ATOM 0 HH21 ARG A 91 -11.678 -12.848 6.989 1.00 5.23 H new ATOM 0 HH22 ARG A 91 -10.033 -13.451 7.215 1.00 5.23 H new ATOM 1446 N PRO A 92 -15.727 -9.999 1.895 1.00 1.31 N ATOM 1447 CA PRO A 92 -15.963 -8.677 2.456 1.00 1.34 C ATOM 1448 C PRO A 92 -14.850 -8.367 3.463 1.00 1.35 C ATOM 1449 O PRO A 92 -14.704 -9.064 4.466 1.00 1.75 O ATOM 1450 CB PRO A 92 -17.349 -8.753 3.103 1.00 1.63 C ATOM 1451 CG PRO A 92 -17.482 -10.227 3.495 1.00 1.75 C ATOM 1452 CD PRO A 92 -16.673 -10.968 2.427 1.00 1.55 C ATOM 0 HA PRO A 92 -15.945 -7.874 1.719 1.00 1.34 H new ATOM 0 HB2 PRO A 92 -17.423 -8.099 3.972 1.00 1.63 H new ATOM 0 HB3 PRO A 92 -18.133 -8.450 2.409 1.00 1.63 H new ATOM 0 HG2 PRO A 92 -17.088 -10.412 4.494 1.00 1.75 H new ATOM 0 HG3 PRO A 92 -18.524 -10.546 3.500 1.00 1.75 H new ATOM 0 HD2 PRO A 92 -16.154 -11.825 2.856 1.00 1.55 H new ATOM 0 HD3 PRO A 92 -17.324 -11.350 1.640 1.00 1.55 H new ATOM 1460 N LEU A 93 -14.067 -7.313 3.204 1.00 1.44 N ATOM 1461 CA LEU A 93 -13.013 -6.805 4.091 1.00 1.61 C ATOM 1462 C LEU A 93 -13.633 -5.946 5.201 1.00 1.65 C ATOM 1463 O LEU A 93 -13.318 -4.769 5.354 1.00 2.25 O ATOM 1464 CB LEU A 93 -11.935 -6.076 3.240 1.00 1.85 C ATOM 1465 CG LEU A 93 -10.636 -6.863 2.998 1.00 1.62 C ATOM 1466 CD1 LEU A 93 -10.867 -8.285 2.480 1.00 2.98 C ATOM 1467 CD2 LEU A 93 -9.734 -6.088 2.028 1.00 2.30 C ATOM 0 H LEU A 93 -14.152 -6.772 2.343 1.00 1.44 H new ATOM 0 HA LEU A 93 -12.501 -7.620 4.602 1.00 1.61 H new ATOM 0 HB2 LEU A 93 -12.371 -5.823 2.274 1.00 1.85 H new ATOM 0 HB3 LEU A 93 -11.683 -5.137 3.732 1.00 1.85 H new ATOM 0 HG LEU A 93 -10.150 -6.968 3.968 1.00 1.62 H new ATOM 0 HD11 LEU A 93 -9.907 -8.779 2.333 1.00 2.98 H new ATOM 0 HD12 LEU A 93 -11.456 -8.846 3.206 1.00 2.98 H new ATOM 0 HD13 LEU A 93 -11.403 -8.244 1.532 1.00 2.98 H new ATOM 0 HD21 LEU A 93 -8.815 -6.649 1.859 1.00 2.30 H new ATOM 0 HD22 LEU A 93 -10.254 -5.949 1.080 1.00 2.30 H new ATOM 0 HD23 LEU A 93 -9.492 -5.115 2.455 1.00 2.30 H new ATOM 1479 N LYS A 94 -14.560 -6.506 5.980 1.00 1.78 N ATOM 1480 CA LYS A 94 -15.119 -5.810 7.138 1.00 1.86 C ATOM 1481 C LYS A 94 -14.030 -5.435 8.168 1.00 1.60 C ATOM 1482 O LYS A 94 -12.923 -5.976 8.173 1.00 1.75 O ATOM 1483 CB LYS A 94 -16.254 -6.646 7.760 1.00 2.27 C ATOM 1484 CG LYS A 94 -15.760 -7.962 8.388 1.00 1.68 C ATOM 1485 CD LYS A 94 -16.769 -8.514 9.401 1.00 2.39 C ATOM 1486 CE LYS A 94 -16.260 -9.734 10.190 1.00 3.47 C ATOM 1487 NZ LYS A 94 -14.913 -9.517 10.769 1.00 4.35 N ATOM 0 H LYS A 94 -14.939 -7.441 5.829 1.00 1.78 H new ATOM 0 HA LYS A 94 -15.545 -4.866 6.799 1.00 1.86 H new ATOM 0 HB2 LYS A 94 -16.758 -6.053 8.523 1.00 2.27 H new ATOM 0 HB3 LYS A 94 -16.994 -6.872 6.992 1.00 2.27 H new ATOM 0 HG2 LYS A 94 -15.590 -8.699 7.604 1.00 1.68 H new ATOM 0 HG3 LYS A 94 -14.802 -7.794 8.881 1.00 1.68 H new ATOM 0 HD2 LYS A 94 -17.032 -7.724 10.104 1.00 2.39 H new ATOM 0 HD3 LYS A 94 -17.683 -8.790 8.875 1.00 2.39 H new ATOM 0 HE2 LYS A 94 -16.963 -9.963 10.991 1.00 3.47 H new ATOM 0 HE3 LYS A 94 -16.233 -10.602 9.532 1.00 3.47 H new ATOM 0 HZ1 LYS A 94 -14.819 -10.068 11.646 1.00 4.35 H new ATOM 0 HZ2 LYS A 94 -14.189 -9.824 10.088 1.00 4.35 H new ATOM 0 HZ3 LYS A 94 -14.784 -8.507 10.980 1.00 4.35 H new ATOM 1501 N ALA A 95 -14.382 -4.574 9.126 1.00 1.53 N ATOM 1502 CA ALA A 95 -13.627 -4.421 10.358 1.00 1.43 C ATOM 1503 C ALA A 95 -13.466 -5.787 11.051 1.00 1.60 C ATOM 1504 O ALA A 95 -14.420 -6.557 11.230 1.00 1.83 O ATOM 1505 CB ALA A 95 -14.339 -3.391 11.244 1.00 1.51 C ATOM 0 H ALA A 95 -15.199 -3.967 9.063 1.00 1.53 H new ATOM 0 HA ALA A 95 -12.621 -4.054 10.153 1.00 1.43 H new ATOM 0 HB1 ALA A 95 -13.784 -3.265 12.174 1.00 1.51 H new ATOM 0 HB2 ALA A 95 -14.392 -2.436 10.721 1.00 1.51 H new ATOM 0 HB3 ALA A 95 -15.347 -3.739 11.468 1.00 1.51 H new ATOM 1511 N GLY A 96 -12.221 -6.092 11.389 1.00 1.56 N ATOM 1512 CA GLY A 96 -11.816 -7.310 12.096 1.00 1.72 C ATOM 1513 C GLY A 96 -11.749 -8.552 11.210 1.00 1.97 C ATOM 1514 O GLY A 96 -12.111 -9.630 11.673 1.00 2.46 O ATOM 0 H GLY A 96 -11.434 -5.480 11.173 1.00 1.56 H new ATOM 0 HA2 GLY A 96 -10.838 -7.146 12.548 1.00 1.72 H new ATOM 0 HA3 GLY A 96 -12.517 -7.495 12.910 1.00 1.72 H new ATOM 1518 N GLU A 97 -11.357 -8.413 9.942 1.00 1.79 N ATOM 1519 CA GLU A 97 -10.732 -9.501 9.179 1.00 1.76 C ATOM 1520 C GLU A 97 -9.198 -9.444 9.342 1.00 1.53 C ATOM 1521 O GLU A 97 -8.657 -8.538 9.982 1.00 1.46 O ATOM 1522 CB GLU A 97 -11.073 -9.369 7.687 1.00 1.69 C ATOM 1523 CG GLU A 97 -12.560 -9.373 7.337 1.00 2.19 C ATOM 1524 CD GLU A 97 -13.222 -10.719 7.617 1.00 1.38 C ATOM 1525 OE1 GLU A 97 -13.046 -11.643 6.793 1.00 2.16 O ATOM 1526 OE2 GLU A 97 -13.890 -10.815 8.671 1.00 2.20 O ATOM 0 H GLU A 97 -11.462 -7.547 9.414 1.00 1.79 H new ATOM 0 HA GLU A 97 -11.112 -10.449 9.559 1.00 1.76 H new ATOM 0 HB2 GLU A 97 -10.635 -8.443 7.315 1.00 1.69 H new ATOM 0 HB3 GLU A 97 -10.592 -10.187 7.151 1.00 1.69 H new ATOM 0 HG2 GLU A 97 -13.067 -8.596 7.910 1.00 2.19 H new ATOM 0 HG3 GLU A 97 -12.683 -9.124 6.283 1.00 2.19 H new ATOM 1533 N GLU A 98 -8.493 -10.337 8.649 1.00 1.48 N ATOM 1534 CA GLU A 98 -7.060 -10.395 8.484 1.00 1.38 C ATOM 1535 C GLU A 98 -6.795 -10.901 7.060 1.00 1.28 C ATOM 1536 O GLU A 98 -7.639 -11.542 6.428 1.00 1.58 O ATOM 1537 CB GLU A 98 -6.397 -11.274 9.557 1.00 1.49 C ATOM 1538 CG GLU A 98 -6.797 -12.756 9.470 1.00 2.47 C ATOM 1539 CD GLU A 98 -6.185 -13.612 10.579 1.00 2.80 C ATOM 1540 OE1 GLU A 98 -5.364 -13.082 11.360 1.00 2.87 O ATOM 1541 OE2 GLU A 98 -6.579 -14.798 10.630 1.00 3.76 O ATOM 0 H GLU A 98 -8.958 -11.097 8.152 1.00 1.48 H new ATOM 0 HA GLU A 98 -6.615 -9.409 8.617 1.00 1.38 H new ATOM 0 HB2 GLU A 98 -5.314 -11.192 9.464 1.00 1.49 H new ATOM 0 HB3 GLU A 98 -6.662 -10.892 10.543 1.00 1.49 H new ATOM 0 HG2 GLU A 98 -7.883 -12.836 9.516 1.00 2.47 H new ATOM 0 HG3 GLU A 98 -6.489 -13.152 8.502 1.00 2.47 H new ATOM 1548 N VAL A 99 -5.639 -10.519 6.557 1.00 0.98 N ATOM 1549 CA VAL A 99 -5.205 -10.525 5.152 1.00 0.78 C ATOM 1550 C VAL A 99 -3.686 -10.755 5.104 1.00 0.80 C ATOM 1551 O VAL A 99 -2.994 -10.454 6.073 1.00 1.42 O ATOM 1552 CB VAL A 99 -5.592 -9.165 4.503 1.00 0.71 C ATOM 1553 CG1 VAL A 99 -4.896 -8.867 3.164 1.00 1.03 C ATOM 1554 CG2 VAL A 99 -7.115 -9.078 4.282 1.00 0.98 C ATOM 0 H VAL A 99 -4.904 -10.162 7.167 1.00 0.98 H new ATOM 0 HA VAL A 99 -5.693 -11.325 4.595 1.00 0.78 H new ATOM 0 HB VAL A 99 -5.248 -8.417 5.218 1.00 0.71 H new ATOM 0 HG11 VAL A 99 -5.228 -7.899 2.789 1.00 1.03 H new ATOM 0 HG12 VAL A 99 -3.816 -8.848 3.312 1.00 1.03 H new ATOM 0 HG13 VAL A 99 -5.150 -9.643 2.441 1.00 1.03 H new ATOM 0 HG21 VAL A 99 -7.362 -8.119 3.827 1.00 0.98 H new ATOM 0 HG22 VAL A 99 -7.434 -9.885 3.622 1.00 0.98 H new ATOM 0 HG23 VAL A 99 -7.627 -9.168 5.240 1.00 0.98 H new ATOM 1564 N GLU A 100 -3.157 -11.242 3.974 1.00 0.66 N ATOM 1565 CA GLU A 100 -1.738 -11.081 3.640 1.00 0.61 C ATOM 1566 C GLU A 100 -1.538 -10.326 2.315 1.00 0.57 C ATOM 1567 O GLU A 100 -2.390 -10.371 1.419 1.00 0.61 O ATOM 1568 CB GLU A 100 -0.964 -12.410 3.677 1.00 0.87 C ATOM 1569 CG GLU A 100 -1.343 -13.428 2.588 1.00 1.53 C ATOM 1570 CD GLU A 100 -0.298 -14.538 2.465 1.00 1.49 C ATOM 1571 OE1 GLU A 100 0.461 -14.781 3.432 1.00 2.02 O ATOM 1572 OE2 GLU A 100 -0.174 -15.146 1.377 1.00 2.29 O ATOM 0 H GLU A 100 -3.694 -11.753 3.273 1.00 0.66 H new ATOM 0 HA GLU A 100 -1.307 -10.459 4.425 1.00 0.61 H new ATOM 0 HB2 GLU A 100 0.101 -12.193 3.592 1.00 0.87 H new ATOM 0 HB3 GLU A 100 -1.118 -12.873 4.652 1.00 0.87 H new ATOM 0 HG2 GLU A 100 -2.314 -13.866 2.821 1.00 1.53 H new ATOM 0 HG3 GLU A 100 -1.445 -12.916 1.631 1.00 1.53 H new ATOM 1579 N LEU A 101 -0.389 -9.654 2.207 1.00 0.61 N ATOM 1580 CA LEU A 101 0.130 -8.992 1.009 1.00 0.56 C ATOM 1581 C LEU A 101 1.550 -9.490 0.712 1.00 0.52 C ATOM 1582 O LEU A 101 2.381 -9.567 1.620 1.00 0.63 O ATOM 1583 CB LEU A 101 0.160 -7.460 1.211 1.00 0.62 C ATOM 1584 CG LEU A 101 -0.993 -6.722 0.494 1.00 0.91 C ATOM 1585 CD1 LEU A 101 -2.344 -6.857 1.208 1.00 1.68 C ATOM 1586 CD2 LEU A 101 -0.670 -5.232 0.348 1.00 1.54 C ATOM 0 H LEU A 101 0.241 -9.552 3.002 1.00 0.61 H new ATOM 0 HA LEU A 101 -0.525 -9.230 0.171 1.00 0.56 H new ATOM 0 HB2 LEU A 101 0.113 -7.241 2.278 1.00 0.62 H new ATOM 0 HB3 LEU A 101 1.111 -7.072 0.847 1.00 0.62 H new ATOM 0 HG LEU A 101 -1.082 -7.199 -0.482 1.00 0.91 H new ATOM 0 HD11 LEU A 101 -3.107 -6.314 0.649 1.00 1.68 H new ATOM 0 HD12 LEU A 101 -2.619 -7.910 1.270 1.00 1.68 H new ATOM 0 HD13 LEU A 101 -2.267 -6.443 2.213 1.00 1.68 H new ATOM 0 HD21 LEU A 101 -1.493 -4.729 -0.159 1.00 1.54 H new ATOM 0 HD22 LEU A 101 -0.529 -4.792 1.335 1.00 1.54 H new ATOM 0 HD23 LEU A 101 0.243 -5.113 -0.236 1.00 1.54 H new ATOM 1598 N ASP A 102 1.833 -9.746 -0.565 1.00 0.49 N ATOM 1599 CA ASP A 102 3.186 -9.846 -1.126 1.00 0.56 C ATOM 1600 C ASP A 102 3.658 -8.469 -1.617 1.00 0.60 C ATOM 1601 O ASP A 102 2.859 -7.687 -2.127 1.00 0.77 O ATOM 1602 CB ASP A 102 3.206 -10.781 -2.341 1.00 0.77 C ATOM 1603 CG ASP A 102 2.868 -12.247 -2.061 1.00 1.03 C ATOM 1604 OD1 ASP A 102 3.793 -13.043 -1.803 1.00 1.88 O ATOM 1605 OD2 ASP A 102 1.676 -12.602 -2.214 1.00 1.70 O ATOM 0 H ASP A 102 1.104 -9.895 -1.263 1.00 0.49 H new ATOM 0 HA ASP A 102 3.835 -10.229 -0.338 1.00 0.56 H new ATOM 0 HB2 ASP A 102 2.501 -10.400 -3.080 1.00 0.77 H new ATOM 0 HB3 ASP A 102 4.197 -10.737 -2.793 1.00 0.77 H new ATOM 1610 N LEU A 103 4.963 -8.203 -1.545 1.00 0.55 N ATOM 1611 CA LEU A 103 5.636 -7.028 -2.085 1.00 0.53 C ATOM 1612 C LEU A 103 6.553 -7.447 -3.245 1.00 0.55 C ATOM 1613 O LEU A 103 7.536 -8.159 -3.041 1.00 0.77 O ATOM 1614 CB LEU A 103 6.466 -6.371 -0.968 1.00 0.57 C ATOM 1615 CG LEU A 103 5.648 -5.607 0.090 1.00 0.64 C ATOM 1616 CD1 LEU A 103 5.009 -6.513 1.155 1.00 0.73 C ATOM 1617 CD2 LEU A 103 6.570 -4.601 0.799 1.00 0.86 C ATOM 0 H LEU A 103 5.612 -8.839 -1.082 1.00 0.55 H new ATOM 0 HA LEU A 103 4.900 -6.316 -2.458 1.00 0.53 H new ATOM 0 HB2 LEU A 103 7.048 -7.144 -0.466 1.00 0.57 H new ATOM 0 HB3 LEU A 103 7.177 -5.681 -1.423 1.00 0.57 H new ATOM 0 HG LEU A 103 4.833 -5.116 -0.442 1.00 0.64 H new ATOM 0 HD11 LEU A 103 4.450 -5.903 1.864 1.00 0.73 H new ATOM 0 HD12 LEU A 103 4.334 -7.220 0.673 1.00 0.73 H new ATOM 0 HD13 LEU A 103 5.790 -7.060 1.684 1.00 0.73 H new ATOM 0 HD21 LEU A 103 6.001 -4.054 1.551 1.00 0.86 H new ATOM 0 HD22 LEU A 103 7.389 -5.135 1.281 1.00 0.86 H new ATOM 0 HD23 LEU A 103 6.974 -3.900 0.068 1.00 0.86 H new ATOM 1629 N LEU A 104 6.254 -6.975 -4.459 1.00 0.44 N ATOM 1630 CA LEU A 104 6.974 -7.318 -5.689 1.00 0.46 C ATOM 1631 C LEU A 104 8.063 -6.276 -5.974 1.00 0.45 C ATOM 1632 O LEU A 104 7.768 -5.121 -6.309 1.00 0.48 O ATOM 1633 CB LEU A 104 5.970 -7.425 -6.859 1.00 0.51 C ATOM 1634 CG LEU A 104 4.834 -8.456 -6.679 1.00 0.57 C ATOM 1635 CD1 LEU A 104 3.963 -8.500 -7.944 1.00 0.65 C ATOM 1636 CD2 LEU A 104 5.349 -9.866 -6.363 1.00 0.68 C ATOM 0 H LEU A 104 5.483 -6.326 -4.618 1.00 0.44 H new ATOM 0 HA LEU A 104 7.467 -8.283 -5.570 1.00 0.46 H new ATOM 0 HB2 LEU A 104 5.523 -6.444 -7.020 1.00 0.51 H new ATOM 0 HB3 LEU A 104 6.522 -7.676 -7.765 1.00 0.51 H new ATOM 0 HG LEU A 104 4.245 -8.129 -5.822 1.00 0.57 H new ATOM 0 HD11 LEU A 104 3.164 -9.229 -7.810 1.00 0.65 H new ATOM 0 HD12 LEU A 104 3.530 -7.516 -8.122 1.00 0.65 H new ATOM 0 HD13 LEU A 104 4.576 -8.787 -8.798 1.00 0.65 H new ATOM 0 HD21 LEU A 104 4.504 -10.545 -6.248 1.00 0.68 H new ATOM 0 HD22 LEU A 104 5.984 -10.213 -7.178 1.00 0.68 H new ATOM 0 HD23 LEU A 104 5.925 -9.844 -5.438 1.00 0.68 H new ATOM 1648 N PHE A 105 9.331 -6.681 -5.853 1.00 0.48 N ATOM 1649 CA PHE A 105 10.481 -5.802 -6.044 1.00 0.50 C ATOM 1650 C PHE A 105 11.250 -6.157 -7.326 1.00 0.58 C ATOM 1651 O PHE A 105 11.764 -7.266 -7.472 1.00 0.94 O ATOM 1652 CB PHE A 105 11.412 -5.886 -4.829 1.00 0.58 C ATOM 1653 CG PHE A 105 10.767 -5.619 -3.484 1.00 0.54 C ATOM 1654 CD1 PHE A 105 10.593 -4.295 -3.037 1.00 1.86 C ATOM 1655 CD2 PHE A 105 10.405 -6.690 -2.646 1.00 1.77 C ATOM 1656 CE1 PHE A 105 10.093 -4.046 -1.749 1.00 1.81 C ATOM 1657 CE2 PHE A 105 9.913 -6.440 -1.354 1.00 1.85 C ATOM 1658 CZ PHE A 105 9.773 -5.118 -0.900 1.00 0.62 C ATOM 0 H PHE A 105 9.587 -7.640 -5.617 1.00 0.48 H new ATOM 0 HA PHE A 105 10.113 -4.781 -6.146 1.00 0.50 H new ATOM 0 HB2 PHE A 105 11.859 -6.880 -4.806 1.00 0.58 H new ATOM 0 HB3 PHE A 105 12.225 -5.174 -4.968 1.00 0.58 H new ATOM 0 HD1 PHE A 105 10.845 -3.469 -3.686 1.00 1.86 H new ATOM 0 HD2 PHE A 105 10.506 -7.706 -2.997 1.00 1.77 H new ATOM 0 HE1 PHE A 105 9.954 -3.030 -1.411 1.00 1.81 H new ATOM 0 HE2 PHE A 105 9.643 -7.264 -0.710 1.00 1.85 H new ATOM 0 HZ PHE A 105 9.419 -4.926 0.102 1.00 0.62 H new ATOM 1668 N ALA A 106 11.432 -5.177 -8.218 1.00 0.71 N ATOM 1669 CA ALA A 106 12.212 -5.337 -9.456 1.00 0.80 C ATOM 1670 C ALA A 106 13.703 -5.630 -9.212 1.00 1.25 C ATOM 1671 O ALA A 106 14.383 -6.151 -10.091 1.00 1.93 O ATOM 1672 CB ALA A 106 12.033 -4.078 -10.310 1.00 1.86 C ATOM 0 H ALA A 106 11.040 -4.242 -8.103 1.00 0.71 H new ATOM 0 HA ALA A 106 11.831 -6.214 -9.980 1.00 0.80 H new ATOM 0 HB1 ALA A 106 12.605 -4.180 -11.232 1.00 1.86 H new ATOM 0 HB2 ALA A 106 10.978 -3.948 -10.550 1.00 1.86 H new ATOM 0 HB3 ALA A 106 12.389 -3.209 -9.756 1.00 1.86 H new ATOM 1678 N GLY A 107 14.203 -5.356 -8.001 1.00 3.27 N ATOM 1679 CA GLY A 107 15.571 -5.662 -7.559 1.00 4.74 C ATOM 1680 C GLY A 107 15.794 -7.142 -7.229 1.00 4.51 C ATOM 1681 O GLY A 107 16.491 -7.435 -6.255 1.00 5.47 O ATOM 0 H GLY A 107 13.648 -4.900 -7.277 1.00 3.27 H new ATOM 0 HA2 GLY A 107 16.271 -5.363 -8.339 1.00 4.74 H new ATOM 0 HA3 GLY A 107 15.801 -5.063 -6.678 1.00 4.74 H new ATOM 1685 N GLY A 108 15.193 -8.054 -8.005 1.00 3.48 N ATOM 1686 CA GLY A 108 15.372 -9.511 -7.915 1.00 3.56 C ATOM 1687 C GLY A 108 14.766 -10.157 -6.669 1.00 2.92 C ATOM 1688 O GLY A 108 15.309 -11.147 -6.187 1.00 3.38 O ATOM 0 H GLY A 108 14.542 -7.787 -8.743 1.00 3.48 H new ATOM 0 HA2 GLY A 108 14.929 -9.972 -8.798 1.00 3.56 H new ATOM 0 HA3 GLY A 108 16.439 -9.734 -7.940 1.00 3.56 H new ATOM 1692 N LYS A 109 13.704 -9.580 -6.088 1.00 2.00 N ATOM 1693 CA LYS A 109 13.196 -9.981 -4.767 1.00 1.63 C ATOM 1694 C LYS A 109 11.664 -10.005 -4.686 1.00 1.25 C ATOM 1695 O LYS A 109 10.972 -9.208 -5.315 1.00 1.07 O ATOM 1696 CB LYS A 109 13.750 -9.031 -3.684 1.00 1.72 C ATOM 1697 CG LYS A 109 15.252 -9.223 -3.442 1.00 2.17 C ATOM 1698 CD LYS A 109 15.804 -8.129 -2.520 1.00 2.97 C ATOM 1699 CE LYS A 109 17.326 -8.004 -2.638 1.00 3.73 C ATOM 1700 NZ LYS A 109 17.722 -7.096 -3.748 1.00 3.87 N ATOM 0 H LYS A 109 13.173 -8.823 -6.520 1.00 2.00 H new ATOM 0 HA LYS A 109 13.540 -11.002 -4.599 1.00 1.63 H new ATOM 0 HB2 LYS A 109 13.563 -7.999 -3.981 1.00 1.72 H new ATOM 0 HB3 LYS A 109 13.212 -9.197 -2.751 1.00 1.72 H new ATOM 0 HG2 LYS A 109 15.430 -10.202 -2.998 1.00 2.17 H new ATOM 0 HG3 LYS A 109 15.783 -9.204 -4.394 1.00 2.17 H new ATOM 0 HD2 LYS A 109 15.340 -7.175 -2.769 1.00 2.97 H new ATOM 0 HD3 LYS A 109 15.536 -8.354 -1.488 1.00 2.97 H new ATOM 0 HE2 LYS A 109 17.734 -7.629 -1.699 1.00 3.73 H new ATOM 0 HE3 LYS A 109 17.760 -8.990 -2.803 1.00 3.73 H new ATOM 0 HZ1 LYS A 109 18.738 -7.205 -3.940 1.00 3.87 H new ATOM 0 HZ2 LYS A 109 17.181 -7.336 -4.603 1.00 3.87 H new ATOM 0 HZ3 LYS A 109 17.524 -6.111 -3.478 1.00 3.87 H new ATOM 1714 N VAL A 110 11.161 -10.852 -3.795 1.00 1.31 N ATOM 1715 CA VAL A 110 9.782 -10.812 -3.281 1.00 1.20 C ATOM 1716 C VAL A 110 9.830 -11.165 -1.790 1.00 1.11 C ATOM 1717 O VAL A 110 10.659 -11.978 -1.379 1.00 1.14 O ATOM 1718 CB VAL A 110 8.821 -11.760 -4.052 1.00 1.20 C ATOM 1719 CG1 VAL A 110 7.395 -11.770 -3.472 1.00 2.01 C ATOM 1720 CG2 VAL A 110 8.729 -11.400 -5.546 1.00 2.11 C ATOM 0 H VAL A 110 11.712 -11.611 -3.394 1.00 1.31 H new ATOM 0 HA VAL A 110 9.378 -9.810 -3.428 1.00 1.20 H new ATOM 0 HB VAL A 110 9.257 -12.752 -3.936 1.00 1.20 H new ATOM 0 HG11 VAL A 110 6.771 -12.450 -4.052 1.00 2.01 H new ATOM 0 HG12 VAL A 110 7.427 -12.102 -2.434 1.00 2.01 H new ATOM 0 HG13 VAL A 110 6.976 -10.765 -3.518 1.00 2.01 H new ATOM 0 HG21 VAL A 110 8.047 -12.088 -6.045 1.00 2.11 H new ATOM 0 HG22 VAL A 110 8.358 -10.381 -5.652 1.00 2.11 H new ATOM 0 HG23 VAL A 110 9.717 -11.476 -6.000 1.00 2.11 H new ATOM 1730 N LEU A 111 8.962 -10.527 -1.002 1.00 1.04 N ATOM 1731 CA LEU A 111 8.684 -10.823 0.408 1.00 0.91 C ATOM 1732 C LEU A 111 7.178 -10.690 0.638 1.00 0.72 C ATOM 1733 O LEU A 111 6.479 -10.133 -0.203 1.00 0.87 O ATOM 1734 CB LEU A 111 9.459 -9.844 1.320 1.00 1.16 C ATOM 1735 CG LEU A 111 10.928 -10.243 1.546 1.00 1.70 C ATOM 1736 CD1 LEU A 111 11.712 -9.068 2.145 1.00 2.46 C ATOM 1737 CD2 LEU A 111 11.051 -11.469 2.467 1.00 3.05 C ATOM 0 H LEU A 111 8.403 -9.747 -1.348 1.00 1.04 H new ATOM 0 HA LEU A 111 9.007 -11.835 0.650 1.00 0.91 H new ATOM 0 HB2 LEU A 111 9.426 -8.847 0.880 1.00 1.16 H new ATOM 0 HB3 LEU A 111 8.955 -9.784 2.285 1.00 1.16 H new ATOM 0 HG LEU A 111 11.347 -10.506 0.575 1.00 1.70 H new ATOM 0 HD11 LEU A 111 12.750 -9.364 2.300 1.00 2.46 H new ATOM 0 HD12 LEU A 111 11.675 -8.220 1.462 1.00 2.46 H new ATOM 0 HD13 LEU A 111 11.269 -8.784 3.100 1.00 2.46 H new ATOM 0 HD21 LEU A 111 12.103 -11.719 2.602 1.00 3.05 H new ATOM 0 HD22 LEU A 111 10.605 -11.243 3.435 1.00 3.05 H new ATOM 0 HD23 LEU A 111 10.532 -12.315 2.017 1.00 3.05 H new ATOM 1749 N LYS A 112 6.670 -11.148 1.785 1.00 0.96 N ATOM 1750 CA LYS A 112 5.238 -11.019 2.112 1.00 0.96 C ATOM 1751 C LYS A 112 4.948 -10.839 3.609 1.00 0.88 C ATOM 1752 O LYS A 112 5.726 -11.271 4.458 1.00 1.07 O ATOM 1753 CB LYS A 112 4.431 -12.139 1.416 1.00 1.34 C ATOM 1754 CG LYS A 112 4.449 -13.545 2.035 1.00 1.35 C ATOM 1755 CD LYS A 112 3.868 -14.528 0.998 1.00 1.77 C ATOM 1756 CE LYS A 112 3.640 -15.940 1.542 1.00 1.63 C ATOM 1757 NZ LYS A 112 2.279 -16.112 2.098 1.00 1.85 N ATOM 0 H LYS A 112 7.224 -11.612 2.505 1.00 0.96 H new ATOM 0 HA LYS A 112 4.884 -10.074 1.700 1.00 0.96 H new ATOM 0 HB2 LYS A 112 3.392 -11.814 1.360 1.00 1.34 H new ATOM 0 HB3 LYS A 112 4.794 -12.223 0.392 1.00 1.34 H new ATOM 0 HG2 LYS A 112 5.466 -13.831 2.303 1.00 1.35 H new ATOM 0 HG3 LYS A 112 3.860 -13.566 2.952 1.00 1.35 H new ATOM 0 HD2 LYS A 112 2.921 -14.134 0.629 1.00 1.77 H new ATOM 0 HD3 LYS A 112 4.544 -14.583 0.145 1.00 1.77 H new ATOM 0 HE2 LYS A 112 3.799 -16.665 0.744 1.00 1.63 H new ATOM 0 HE3 LYS A 112 4.377 -16.152 2.317 1.00 1.63 H new ATOM 0 HZ1 LYS A 112 2.192 -17.061 2.515 1.00 1.85 H new ATOM 0 HZ2 LYS A 112 2.110 -15.394 2.831 1.00 1.85 H new ATOM 0 HZ3 LYS A 112 1.577 -16.002 1.338 1.00 1.85 H new ATOM 1771 N VAL A 113 3.840 -10.165 3.914 1.00 0.81 N ATOM 1772 CA VAL A 113 3.420 -9.703 5.249 1.00 0.91 C ATOM 1773 C VAL A 113 1.982 -10.111 5.538 1.00 0.83 C ATOM 1774 O VAL A 113 1.133 -10.010 4.658 1.00 0.88 O ATOM 1775 CB VAL A 113 3.506 -8.161 5.390 1.00 1.15 C ATOM 1776 CG1 VAL A 113 4.934 -7.761 5.778 1.00 1.47 C ATOM 1777 CG2 VAL A 113 3.062 -7.381 4.140 1.00 2.22 C ATOM 0 H VAL A 113 3.165 -9.908 3.194 1.00 0.81 H new ATOM 0 HA VAL A 113 4.104 -10.171 5.957 1.00 0.91 H new ATOM 0 HB VAL A 113 2.798 -7.888 6.173 1.00 1.15 H new ATOM 0 HG11 VAL A 113 4.994 -6.677 5.877 1.00 1.47 H new ATOM 0 HG12 VAL A 113 5.197 -8.227 6.727 1.00 1.47 H new ATOM 0 HG13 VAL A 113 5.628 -8.094 5.006 1.00 1.47 H new ATOM 0 HG21 VAL A 113 3.154 -6.311 4.327 1.00 2.22 H new ATOM 0 HG22 VAL A 113 3.693 -7.658 3.295 1.00 2.22 H new ATOM 0 HG23 VAL A 113 2.024 -7.621 3.911 1.00 2.22 H new ATOM 1787 N VAL A 114 1.716 -10.506 6.785 1.00 1.04 N ATOM 1788 CA VAL A 114 0.364 -10.663 7.347 1.00 1.02 C ATOM 1789 C VAL A 114 -0.063 -9.352 8.023 1.00 0.99 C ATOM 1790 O VAL A 114 0.784 -8.631 8.559 1.00 1.06 O ATOM 1791 CB VAL A 114 0.293 -11.875 8.308 1.00 1.16 C ATOM 1792 CG1 VAL A 114 1.163 -11.701 9.566 1.00 2.30 C ATOM 1793 CG2 VAL A 114 -1.155 -12.207 8.704 1.00 2.46 C ATOM 0 H VAL A 114 2.452 -10.733 7.454 1.00 1.04 H new ATOM 0 HA VAL A 114 -0.340 -10.873 6.542 1.00 1.02 H new ATOM 0 HB VAL A 114 0.702 -12.715 7.747 1.00 1.16 H new ATOM 0 HG11 VAL A 114 1.069 -12.584 10.198 1.00 2.30 H new ATOM 0 HG12 VAL A 114 2.205 -11.573 9.273 1.00 2.30 H new ATOM 0 HG13 VAL A 114 0.831 -10.822 10.119 1.00 2.30 H new ATOM 0 HG21 VAL A 114 -1.161 -13.063 9.379 1.00 2.46 H new ATOM 0 HG22 VAL A 114 -1.601 -11.348 9.204 1.00 2.46 H new ATOM 0 HG23 VAL A 114 -1.731 -12.446 7.810 1.00 2.46 H new ATOM 1803 N LEU A 115 -1.360 -9.027 7.963 1.00 1.07 N ATOM 1804 CA LEU A 115 -1.933 -7.768 8.437 1.00 1.09 C ATOM 1805 C LEU A 115 -3.442 -7.897 8.751 1.00 1.02 C ATOM 1806 O LEU A 115 -4.148 -8.586 8.003 1.00 1.01 O ATOM 1807 CB LEU A 115 -1.629 -6.592 7.481 1.00 1.09 C ATOM 1808 CG LEU A 115 -2.029 -6.698 5.994 1.00 1.83 C ATOM 1809 CD1 LEU A 115 -1.982 -5.298 5.365 1.00 2.13 C ATOM 1810 CD2 LEU A 115 -1.063 -7.586 5.204 1.00 2.72 C ATOM 0 H LEU A 115 -2.060 -9.656 7.570 1.00 1.07 H new ATOM 0 HA LEU A 115 -1.439 -7.534 9.380 1.00 1.09 H new ATOM 0 HB2 LEU A 115 -2.116 -5.706 7.888 1.00 1.09 H new ATOM 0 HB3 LEU A 115 -0.555 -6.410 7.518 1.00 1.09 H new ATOM 0 HG LEU A 115 -3.028 -7.133 5.953 1.00 1.83 H new ATOM 0 HD11 LEU A 115 -2.263 -5.362 4.314 1.00 2.13 H new ATOM 0 HD12 LEU A 115 -2.677 -4.641 5.887 1.00 2.13 H new ATOM 0 HD13 LEU A 115 -0.972 -4.896 5.447 1.00 2.13 H new ATOM 0 HD21 LEU A 115 -1.381 -7.633 4.163 1.00 2.72 H new ATOM 0 HD22 LEU A 115 -0.058 -7.168 5.258 1.00 2.72 H new ATOM 0 HD23 LEU A 115 -1.061 -8.590 5.629 1.00 2.72 H new ATOM 1822 N PRO A 116 -3.951 -7.230 9.807 1.00 1.04 N ATOM 1823 CA PRO A 116 -5.377 -7.143 10.110 1.00 1.05 C ATOM 1824 C PRO A 116 -6.087 -6.142 9.187 1.00 0.87 C ATOM 1825 O PRO A 116 -5.455 -5.314 8.528 1.00 0.87 O ATOM 1826 CB PRO A 116 -5.449 -6.682 11.569 1.00 1.21 C ATOM 1827 CG PRO A 116 -4.217 -5.791 11.698 1.00 1.16 C ATOM 1828 CD PRO A 116 -3.193 -6.509 10.825 1.00 1.08 C ATOM 0 HA PRO A 116 -5.877 -8.099 9.956 1.00 1.05 H new ATOM 0 HB2 PRO A 116 -6.369 -6.135 11.776 1.00 1.21 H new ATOM 0 HB3 PRO A 116 -5.416 -7.523 12.262 1.00 1.21 H new ATOM 0 HG2 PRO A 116 -4.411 -4.778 11.345 1.00 1.16 H new ATOM 0 HG3 PRO A 116 -3.882 -5.710 12.732 1.00 1.16 H new ATOM 0 HD2 PRO A 116 -2.507 -5.797 10.366 1.00 1.08 H new ATOM 0 HD3 PRO A 116 -2.590 -7.196 11.419 1.00 1.08 H new ATOM 1836 N VAL A 117 -7.418 -6.188 9.172 1.00 0.82 N ATOM 1837 CA VAL A 117 -8.273 -5.183 8.530 1.00 0.73 C ATOM 1838 C VAL A 117 -8.963 -4.341 9.614 1.00 0.80 C ATOM 1839 O VAL A 117 -9.765 -4.864 10.387 1.00 1.06 O ATOM 1840 CB VAL A 117 -9.304 -5.876 7.616 1.00 0.78 C ATOM 1841 CG1 VAL A 117 -10.091 -4.845 6.801 1.00 0.84 C ATOM 1842 CG2 VAL A 117 -8.640 -6.881 6.653 1.00 0.74 C ATOM 0 H VAL A 117 -7.946 -6.940 9.615 1.00 0.82 H new ATOM 0 HA VAL A 117 -7.669 -4.521 7.909 1.00 0.73 H new ATOM 0 HB VAL A 117 -9.983 -6.422 8.270 1.00 0.78 H new ATOM 0 HG11 VAL A 117 -10.812 -5.358 6.164 1.00 0.84 H new ATOM 0 HG12 VAL A 117 -10.619 -4.172 7.477 1.00 0.84 H new ATOM 0 HG13 VAL A 117 -9.404 -4.270 6.181 1.00 0.84 H new ATOM 0 HG21 VAL A 117 -9.403 -7.345 6.029 1.00 0.74 H new ATOM 0 HG22 VAL A 117 -7.922 -6.359 6.021 1.00 0.74 H new ATOM 0 HG23 VAL A 117 -8.125 -7.650 7.228 1.00 0.74 H new ATOM 1852 N GLU A 118 -8.659 -3.039 9.673 1.00 0.78 N ATOM 1853 CA GLU A 118 -9.061 -2.130 10.755 1.00 0.87 C ATOM 1854 C GLU A 118 -9.771 -0.878 10.215 1.00 1.04 C ATOM 1855 O GLU A 118 -9.605 -0.487 9.058 1.00 1.27 O ATOM 1856 CB GLU A 118 -7.849 -1.767 11.625 1.00 1.20 C ATOM 1857 CG GLU A 118 -7.278 -3.001 12.345 1.00 2.25 C ATOM 1858 CD GLU A 118 -6.254 -2.625 13.416 1.00 3.48 C ATOM 1859 OE1 GLU A 118 -6.569 -1.698 14.198 1.00 3.87 O ATOM 1860 OE2 GLU A 118 -5.195 -3.288 13.453 1.00 4.75 O ATOM 0 H GLU A 118 -8.111 -2.575 8.949 1.00 0.78 H new ATOM 0 HA GLU A 118 -9.785 -2.650 11.382 1.00 0.87 H new ATOM 0 HB2 GLU A 118 -7.075 -1.318 11.002 1.00 1.20 H new ATOM 0 HB3 GLU A 118 -8.140 -1.018 12.361 1.00 1.20 H new ATOM 0 HG2 GLU A 118 -8.093 -3.560 12.805 1.00 2.25 H new ATOM 0 HG3 GLU A 118 -6.811 -3.661 11.614 1.00 2.25 H new ATOM 1867 N ALA A 119 -10.633 -0.271 11.035 1.00 1.24 N ATOM 1868 CA ALA A 119 -11.694 0.624 10.572 1.00 1.43 C ATOM 1869 C ALA A 119 -11.263 2.104 10.476 1.00 1.71 C ATOM 1870 O ALA A 119 -11.861 2.968 11.115 1.00 2.39 O ATOM 1871 CB ALA A 119 -12.917 0.405 11.475 1.00 1.76 C ATOM 0 H ALA A 119 -10.613 -0.389 12.048 1.00 1.24 H new ATOM 0 HA ALA A 119 -11.948 0.374 9.542 1.00 1.43 H new ATOM 0 HB1 ALA A 119 -13.728 1.060 11.155 1.00 1.76 H new ATOM 0 HB2 ALA A 119 -13.240 -0.634 11.405 1.00 1.76 H new ATOM 0 HB3 ALA A 119 -12.653 0.633 12.507 1.00 1.76 H new ATOM 1877 N ARG A 120 -10.233 2.393 9.672 1.00 2.12 N ATOM 1878 CA ARG A 120 -9.786 3.761 9.381 1.00 2.55 C ATOM 1879 C ARG A 120 -10.830 4.558 8.606 1.00 2.69 C ATOM 1880 O ARG A 120 -11.342 4.035 7.595 1.00 3.27 O ATOM 1881 CB ARG A 120 -8.421 3.699 8.673 1.00 3.43 C ATOM 1882 CG ARG A 120 -7.920 5.080 8.222 1.00 4.23 C ATOM 1883 CD ARG A 120 -8.406 5.462 6.812 1.00 5.07 C ATOM 1884 NE ARG A 120 -8.207 6.881 6.485 1.00 6.02 N ATOM 1885 CZ ARG A 120 -9.142 7.820 6.516 1.00 6.59 C ATOM 1886 NH1 ARG A 120 -10.321 7.660 7.027 1.00 6.43 N ATOM 1887 NH2 ARG A 120 -8.899 8.991 6.002 1.00 7.92 N ATOM 1888 OXT ARG A 120 -10.929 5.774 8.845 1.00 3.34 O ATOM 0 H ARG A 120 -9.681 1.677 9.200 1.00 2.12 H new ATOM 0 HA ARG A 120 -9.662 4.307 10.316 1.00 2.55 H new ATOM 0 HB2 ARG A 120 -7.688 3.254 9.346 1.00 3.43 H new ATOM 0 HB3 ARG A 120 -8.497 3.044 7.805 1.00 3.43 H new ATOM 0 HG2 ARG A 120 -8.257 5.834 8.934 1.00 4.23 H new ATOM 0 HG3 ARG A 120 -6.830 5.089 8.240 1.00 4.23 H new ATOM 0 HD2 ARG A 120 -7.880 4.851 6.078 1.00 5.07 H new ATOM 0 HD3 ARG A 120 -9.466 5.223 6.725 1.00 5.07 H new ATOM 0 HE ARG A 120 -7.268 7.168 6.210 1.00 6.02 H new ATOM 0 HH11 ARG A 120 -10.580 6.765 7.441 1.00 6.43 H new ATOM 0 HH12 ARG A 120 -10.991 8.429 7.015 1.00 6.43 H new ATOM 0 HH21 ARG A 120 -7.992 9.183 5.577 1.00 7.92 H new ATOM 0 HH22 ARG A 120 -9.616 9.716 6.024 1.00 7.92 H new TER 1902 ARG A 120 HETATM 1903 CU CU1 A 121 -6.068 4.834 -3.736 1.00 0.62 CU