USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 944 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 Set 1.1: A 46 HIS : no HD1:sc= -0.481 K(o=-0.48,f=-3.2!) USER MOD Set 1.2: A 48 THR OG1 : rot 118:sc=-0.00226 USER MOD Set 1.3: A 83 HIS : no HD1:sc= 0.00743 X(o=-0.48,f=-0.68) USER MOD Single : A 11 SER OG : rot -171:sc= 0.454 USER MOD Single : A 15 ASN : amide:sc= -0.831 X(o=-0.83,f=-0.97) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -152:sc= 1.21 USER MOD Single : A 24 ASN : amide:sc= 0.402 K(o=0.4,f=-5.8!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.397 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -147:sc= 1.05 (180deg=-1.98!) USER MOD Single : A 57 LYS NZ :NH3+ -149:sc= 0.173 (180deg=-0.946) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -169:sc=-0.000628 (180deg=-0.18) USER MOD Single : A 72 LYS NZ :NH3+ 139:sc= 0.529! (180deg=0.11!) USER MOD Single : A 78 LYS NZ :NH3+ 171:sc= 0.811 (180deg=0.478) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -155:sc= 0 (180deg=-0.0207) USER MOD Single : A 90 LYS NZ :NH3+ -112:sc= -0.26 (180deg=-1.6!) USER MOD Single : A 94 LYS NZ :NH3+ 154:sc= 1.99 (180deg=0.163) USER MOD Single : A 109 LYS NZ :NH3+ -155:sc= 1.77 (180deg=1.21) USER MOD Single : A 112 LYS NZ :NH3+ -163:sc= 2.44 (180deg=1.53) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 4.255 -1.625 10.429 1.00 1.72 N ATOM 56 CA GLU A 5 3.206 -0.869 11.120 1.00 1.98 C ATOM 57 C GLU A 5 2.019 -0.652 10.162 1.00 1.59 C ATOM 58 O GLU A 5 1.704 0.481 9.807 1.00 2.00 O ATOM 59 CB GLU A 5 3.764 0.451 11.688 1.00 3.78 C ATOM 60 CG GLU A 5 4.866 0.274 12.750 1.00 4.64 C ATOM 61 CD GLU A 5 6.275 0.069 12.187 1.00 5.45 C ATOM 62 OE1 GLU A 5 6.685 0.792 11.252 1.00 6.70 O ATOM 63 OE2 GLU A 5 7.057 -0.704 12.771 1.00 5.63 O ATOM 0 HA GLU A 5 2.843 -1.438 11.976 1.00 1.98 H new ATOM 0 HB2 GLU A 5 4.161 1.046 10.866 1.00 3.78 H new ATOM 0 HB3 GLU A 5 2.943 1.019 12.126 1.00 3.78 H new ATOM 0 HG2 GLU A 5 4.873 1.152 13.396 1.00 4.64 H new ATOM 0 HG3 GLU A 5 4.613 -0.581 13.377 1.00 4.64 H new ATOM 70 N GLY A 6 1.412 -1.741 9.662 1.00 1.19 N ATOM 71 CA GLY A 6 0.449 -1.689 8.557 1.00 0.81 C ATOM 72 C GLY A 6 -0.921 -2.278 8.875 1.00 0.68 C ATOM 73 O GLY A 6 -1.111 -2.917 9.904 1.00 0.92 O ATOM 0 H GLY A 6 1.578 -2.683 10.016 1.00 1.19 H new ATOM 0 HA2 GLY A 6 0.321 -0.650 8.254 1.00 0.81 H new ATOM 0 HA3 GLY A 6 0.868 -2.221 7.703 1.00 0.81 H new ATOM 77 N TRP A 7 -1.874 -2.046 7.967 1.00 0.58 N ATOM 78 CA TRP A 7 -3.260 -2.524 8.029 1.00 0.55 C ATOM 79 C TRP A 7 -3.920 -2.579 6.632 1.00 0.59 C ATOM 80 O TRP A 7 -3.609 -1.768 5.752 1.00 0.61 O ATOM 81 CB TRP A 7 -4.074 -1.632 8.983 1.00 0.68 C ATOM 82 CG TRP A 7 -4.357 -0.237 8.505 1.00 0.76 C ATOM 83 CD1 TRP A 7 -5.506 0.166 7.918 1.00 0.95 C ATOM 84 CD2 TRP A 7 -3.498 0.947 8.544 1.00 1.07 C ATOM 85 NE1 TRP A 7 -5.420 1.503 7.585 1.00 1.39 N ATOM 86 CE2 TRP A 7 -4.207 2.038 7.954 1.00 1.50 C ATOM 87 CE3 TRP A 7 -2.195 1.214 9.017 1.00 1.19 C ATOM 88 CZ2 TRP A 7 -3.656 3.322 7.836 1.00 2.00 C ATOM 89 CZ3 TRP A 7 -1.624 2.495 8.894 1.00 1.67 C ATOM 90 CH2 TRP A 7 -2.352 3.547 8.310 1.00 2.07 C ATOM 0 H TRP A 7 -1.692 -1.494 7.129 1.00 0.58 H new ATOM 0 HA TRP A 7 -3.247 -3.545 8.411 1.00 0.55 H new ATOM 0 HB2 TRP A 7 -5.025 -2.125 9.185 1.00 0.68 H new ATOM 0 HB3 TRP A 7 -3.540 -1.568 9.931 1.00 0.68 H new ATOM 0 HD1 TRP A 7 -6.364 -0.464 7.736 1.00 0.95 H new ATOM 0 HE1 TRP A 7 -6.162 2.028 7.123 1.00 1.39 H new ATOM 0 HE3 TRP A 7 -1.626 0.422 9.481 1.00 1.19 H new ATOM 0 HZ2 TRP A 7 -4.224 4.124 7.389 1.00 2.00 H new ATOM 0 HZ3 TRP A 7 -0.620 2.671 9.251 1.00 1.67 H new ATOM 0 HH2 TRP A 7 -1.909 4.528 8.226 1.00 2.07 H new ATOM 101 N VAL A 8 -4.883 -3.487 6.448 1.00 0.78 N ATOM 102 CA VAL A 8 -5.822 -3.448 5.317 1.00 0.88 C ATOM 103 C VAL A 8 -6.999 -2.566 5.728 1.00 0.87 C ATOM 104 O VAL A 8 -7.667 -2.825 6.729 1.00 0.95 O ATOM 105 CB VAL A 8 -6.297 -4.859 4.912 1.00 1.00 C ATOM 106 CG1 VAL A 8 -7.459 -4.818 3.900 1.00 1.28 C ATOM 107 CG2 VAL A 8 -5.143 -5.647 4.274 1.00 1.03 C ATOM 0 H VAL A 8 -5.036 -4.273 7.080 1.00 0.78 H new ATOM 0 HA VAL A 8 -5.324 -3.037 4.439 1.00 0.88 H new ATOM 0 HB VAL A 8 -6.642 -5.343 5.826 1.00 1.00 H new ATOM 0 HG11 VAL A 8 -7.757 -5.835 3.647 1.00 1.28 H new ATOM 0 HG12 VAL A 8 -8.306 -4.291 4.339 1.00 1.28 H new ATOM 0 HG13 VAL A 8 -7.137 -4.299 2.997 1.00 1.28 H new ATOM 0 HG21 VAL A 8 -5.492 -6.641 3.993 1.00 1.03 H new ATOM 0 HG22 VAL A 8 -4.791 -5.122 3.386 1.00 1.03 H new ATOM 0 HG23 VAL A 8 -4.326 -5.739 4.989 1.00 1.03 H new ATOM 117 N ARG A 9 -7.234 -1.503 4.956 1.00 0.85 N ATOM 118 CA ARG A 9 -8.252 -0.499 5.255 1.00 0.91 C ATOM 119 C ARG A 9 -9.640 -1.032 4.870 1.00 0.90 C ATOM 120 O ARG A 9 -9.911 -1.272 3.696 1.00 1.82 O ATOM 121 CB ARG A 9 -7.854 0.799 4.536 1.00 1.21 C ATOM 122 CG ARG A 9 -8.630 2.047 4.964 1.00 1.49 C ATOM 123 CD ARG A 9 -10.098 1.988 4.543 1.00 1.86 C ATOM 124 NE ARG A 9 -10.645 3.325 4.320 1.00 1.93 N ATOM 125 CZ ARG A 9 -11.612 3.655 3.485 1.00 2.78 C ATOM 126 NH1 ARG A 9 -12.290 2.739 2.821 1.00 3.69 N ATOM 127 NH2 ARG A 9 -11.912 4.926 3.329 1.00 3.44 N ATOM 0 H ARG A 9 -6.717 -1.315 4.097 1.00 0.85 H new ATOM 0 HA ARG A 9 -8.312 -0.280 6.321 1.00 0.91 H new ATOM 0 HB2 ARG A 9 -6.792 0.977 4.703 1.00 1.21 H new ATOM 0 HB3 ARG A 9 -7.989 0.657 3.464 1.00 1.21 H new ATOM 0 HG2 ARG A 9 -8.569 2.157 6.047 1.00 1.49 H new ATOM 0 HG3 ARG A 9 -8.164 2.930 4.527 1.00 1.49 H new ATOM 0 HD2 ARG A 9 -10.193 1.398 3.631 1.00 1.86 H new ATOM 0 HD3 ARG A 9 -10.678 1.480 5.313 1.00 1.86 H new ATOM 0 HE ARG A 9 -10.236 4.082 4.867 1.00 1.93 H new ATOM 0 HH11 ARG A 9 -12.071 1.751 2.948 1.00 3.69 H new ATOM 0 HH12 ARG A 9 -13.033 3.019 2.181 1.00 3.69 H new ATOM 0 HH21 ARG A 9 -11.400 5.638 3.849 1.00 3.44 H new ATOM 0 HH22 ARG A 9 -12.657 5.199 2.688 1.00 3.44 H new ATOM 141 N PHE A 10 -10.538 -1.164 5.846 1.00 0.75 N ATOM 142 CA PHE A 10 -11.900 -1.681 5.677 1.00 0.69 C ATOM 143 C PHE A 10 -12.733 -0.916 4.619 1.00 0.81 C ATOM 144 O PHE A 10 -12.548 0.277 4.378 1.00 1.08 O ATOM 145 CB PHE A 10 -12.585 -1.691 7.057 1.00 0.79 C ATOM 146 CG PHE A 10 -14.052 -2.069 6.991 1.00 0.91 C ATOM 147 CD1 PHE A 10 -14.440 -3.419 6.989 1.00 1.76 C ATOM 148 CD2 PHE A 10 -15.008 -1.061 6.754 1.00 1.54 C ATOM 149 CE1 PHE A 10 -15.780 -3.762 6.733 1.00 2.10 C ATOM 150 CE2 PHE A 10 -16.330 -1.407 6.436 1.00 1.66 C ATOM 151 CZ PHE A 10 -16.721 -2.760 6.436 1.00 1.59 C ATOM 0 H PHE A 10 -10.332 -0.905 6.811 1.00 0.75 H new ATOM 0 HA PHE A 10 -11.835 -2.695 5.281 1.00 0.69 H new ATOM 0 HB2 PHE A 10 -12.064 -2.392 7.709 1.00 0.79 H new ATOM 0 HB3 PHE A 10 -12.490 -0.704 7.510 1.00 0.79 H new ATOM 0 HD1 PHE A 10 -13.711 -4.192 7.184 1.00 1.76 H new ATOM 0 HD2 PHE A 10 -14.723 -0.021 6.817 1.00 1.54 H new ATOM 0 HE1 PHE A 10 -16.087 -4.797 6.765 1.00 2.10 H new ATOM 0 HE2 PHE A 10 -17.047 -0.637 6.192 1.00 1.66 H new ATOM 0 HZ PHE A 10 -17.742 -3.028 6.208 1.00 1.59 H new ATOM 161 N SER A 11 -13.715 -1.596 4.023 1.00 0.85 N ATOM 162 CA SER A 11 -14.699 -1.023 3.104 1.00 1.03 C ATOM 163 C SER A 11 -15.891 -1.978 2.932 1.00 1.20 C ATOM 164 O SER A 11 -15.680 -3.189 2.975 1.00 1.40 O ATOM 165 CB SER A 11 -14.023 -0.784 1.747 1.00 1.26 C ATOM 166 OG SER A 11 -14.830 -0.032 0.863 1.00 2.07 O ATOM 0 H SER A 11 -13.851 -2.596 4.173 1.00 0.85 H new ATOM 0 HA SER A 11 -15.070 -0.081 3.508 1.00 1.03 H new ATOM 0 HB2 SER A 11 -13.078 -0.263 1.903 1.00 1.26 H new ATOM 0 HB3 SER A 11 -13.786 -1.744 1.289 1.00 1.26 H new ATOM 0 HG SER A 11 -14.421 -0.025 -0.028 1.00 2.07 H new ATOM 172 N PRO A 12 -17.127 -1.475 2.730 1.00 1.36 N ATOM 173 CA PRO A 12 -18.294 -2.290 2.384 1.00 1.60 C ATOM 174 C PRO A 12 -18.430 -2.519 0.863 1.00 1.52 C ATOM 175 O PRO A 12 -19.457 -3.023 0.414 1.00 1.99 O ATOM 176 CB PRO A 12 -19.475 -1.479 2.933 1.00 1.91 C ATOM 177 CG PRO A 12 -19.041 -0.041 2.657 1.00 1.83 C ATOM 178 CD PRO A 12 -17.533 -0.083 2.910 1.00 1.52 C ATOM 0 HA PRO A 12 -18.228 -3.294 2.803 1.00 1.60 H new ATOM 0 HB2 PRO A 12 -20.408 -1.726 2.427 1.00 1.91 H new ATOM 0 HB3 PRO A 12 -19.632 -1.659 3.996 1.00 1.91 H new ATOM 0 HG2 PRO A 12 -19.271 0.261 1.635 1.00 1.83 H new ATOM 0 HG3 PRO A 12 -19.542 0.666 3.318 1.00 1.83 H new ATOM 0 HD2 PRO A 12 -17.004 0.570 2.216 1.00 1.52 H new ATOM 0 HD3 PRO A 12 -17.297 0.264 3.916 1.00 1.52 H new ATOM 186 N GLY A 13 -17.442 -2.086 0.067 1.00 1.19 N ATOM 187 CA GLY A 13 -17.508 -2.011 -1.395 1.00 1.21 C ATOM 188 C GLY A 13 -16.517 -2.924 -2.141 1.00 1.07 C ATOM 189 O GLY A 13 -15.849 -3.754 -1.527 1.00 1.08 O ATOM 0 H GLY A 13 -16.546 -1.768 0.438 1.00 1.19 H new ATOM 0 HA2 GLY A 13 -18.520 -2.264 -1.711 1.00 1.21 H new ATOM 0 HA3 GLY A 13 -17.328 -0.980 -1.699 1.00 1.21 H new ATOM 193 N PRO A 14 -16.393 -2.748 -3.473 1.00 1.19 N ATOM 194 CA PRO A 14 -15.526 -3.565 -4.328 1.00 1.25 C ATOM 195 C PRO A 14 -14.029 -3.343 -4.080 1.00 1.02 C ATOM 196 O PRO A 14 -13.221 -4.168 -4.512 1.00 1.05 O ATOM 197 CB PRO A 14 -15.889 -3.169 -5.762 1.00 1.65 C ATOM 198 CG PRO A 14 -16.403 -1.738 -5.629 1.00 1.76 C ATOM 199 CD PRO A 14 -17.101 -1.755 -4.272 1.00 1.52 C ATOM 0 HA PRO A 14 -15.689 -4.622 -4.117 1.00 1.25 H new ATOM 0 HB2 PRO A 14 -15.024 -3.223 -6.423 1.00 1.65 H new ATOM 0 HB3 PRO A 14 -16.649 -3.830 -6.179 1.00 1.65 H new ATOM 0 HG2 PRO A 14 -15.590 -1.012 -5.657 1.00 1.76 H new ATOM 0 HG3 PRO A 14 -17.090 -1.478 -6.434 1.00 1.76 H new ATOM 0 HD2 PRO A 14 -17.062 -0.773 -3.800 1.00 1.52 H new ATOM 0 HD3 PRO A 14 -18.154 -2.016 -4.377 1.00 1.52 H new ATOM 207 N ASN A 15 -13.647 -2.239 -3.432 1.00 1.01 N ATOM 208 CA ASN A 15 -12.279 -1.856 -3.176 1.00 1.02 C ATOM 209 C ASN A 15 -11.987 -1.288 -1.776 1.00 1.02 C ATOM 210 O ASN A 15 -12.827 -0.705 -1.084 1.00 1.17 O ATOM 211 CB ASN A 15 -11.856 -0.862 -4.258 1.00 1.19 C ATOM 212 CG ASN A 15 -12.776 0.329 -4.507 1.00 1.54 C ATOM 213 OD1 ASN A 15 -13.683 0.643 -3.751 1.00 2.25 O ATOM 214 ND2 ASN A 15 -12.549 1.018 -5.611 1.00 1.94 N ATOM 0 H ASN A 15 -14.320 -1.568 -3.061 1.00 1.01 H new ATOM 0 HA ASN A 15 -11.693 -2.774 -3.206 1.00 1.02 H new ATOM 0 HB2 ASN A 15 -10.869 -0.478 -3.998 1.00 1.19 H new ATOM 0 HB3 ASN A 15 -11.749 -1.408 -5.195 1.00 1.19 H new ATOM 0 HD21 ASN A 15 -13.134 1.822 -5.840 1.00 1.94 H new ATOM 0 HD22 ASN A 15 -11.789 0.746 -6.234 1.00 1.94 H new ATOM 221 N ALA A 16 -10.710 -1.433 -1.433 1.00 0.98 N ATOM 222 CA ALA A 16 -9.994 -1.036 -0.232 1.00 0.95 C ATOM 223 C ALA A 16 -8.644 -0.395 -0.622 1.00 0.79 C ATOM 224 O ALA A 16 -8.303 -0.268 -1.799 1.00 0.71 O ATOM 225 CB ALA A 16 -9.800 -2.314 0.600 1.00 0.98 C ATOM 0 H ALA A 16 -10.072 -1.894 -2.081 1.00 0.98 H new ATOM 0 HA ALA A 16 -10.541 -0.293 0.348 1.00 0.95 H new ATOM 0 HB1 ALA A 16 -9.265 -2.073 1.518 1.00 0.98 H new ATOM 0 HB2 ALA A 16 -10.773 -2.738 0.848 1.00 0.98 H new ATOM 0 HB3 ALA A 16 -9.225 -3.039 0.024 1.00 0.98 H new ATOM 231 N ALA A 17 -7.859 -0.002 0.375 1.00 0.80 N ATOM 232 CA ALA A 17 -6.463 0.400 0.243 1.00 0.67 C ATOM 233 C ALA A 17 -5.642 -0.325 1.328 1.00 0.64 C ATOM 234 O ALA A 17 -6.211 -0.783 2.320 1.00 0.74 O ATOM 235 CB ALA A 17 -6.383 1.927 0.381 1.00 0.81 C ATOM 0 H ALA A 17 -8.192 0.047 1.338 1.00 0.80 H new ATOM 0 HA ALA A 17 -6.053 0.126 -0.729 1.00 0.67 H new ATOM 0 HB1 ALA A 17 -5.346 2.247 0.285 1.00 0.81 H new ATOM 0 HB2 ALA A 17 -6.981 2.395 -0.401 1.00 0.81 H new ATOM 0 HB3 ALA A 17 -6.766 2.225 1.357 1.00 0.81 H new ATOM 241 N ALA A 18 -4.321 -0.410 1.181 1.00 0.61 N ATOM 242 CA ALA A 18 -3.411 -0.924 2.205 1.00 0.66 C ATOM 243 C ALA A 18 -2.281 0.080 2.456 1.00 0.59 C ATOM 244 O ALA A 18 -1.703 0.638 1.518 1.00 0.55 O ATOM 245 CB ALA A 18 -2.880 -2.303 1.786 1.00 0.78 C ATOM 0 H ALA A 18 -3.843 -0.117 0.329 1.00 0.61 H new ATOM 0 HA ALA A 18 -3.947 -1.050 3.145 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -2.203 -2.680 2.552 1.00 0.78 H new ATOM 0 HB2 ALA A 18 -3.715 -2.994 1.667 1.00 0.78 H new ATOM 0 HB3 ALA A 18 -2.345 -2.215 0.841 1.00 0.78 H new ATOM 251 N TYR A 19 -1.981 0.298 3.733 1.00 0.70 N ATOM 252 CA TYR A 19 -0.994 1.250 4.250 1.00 0.77 C ATOM 253 C TYR A 19 -0.053 0.483 5.184 1.00 0.98 C ATOM 254 O TYR A 19 -0.541 -0.301 5.999 1.00 1.15 O ATOM 255 CB TYR A 19 -1.728 2.336 5.048 1.00 0.86 C ATOM 256 CG TYR A 19 -2.786 3.111 4.286 1.00 0.97 C ATOM 257 CD1 TYR A 19 -4.109 2.629 4.218 1.00 1.58 C ATOM 258 CD2 TYR A 19 -2.459 4.333 3.670 1.00 2.41 C ATOM 259 CE1 TYR A 19 -5.096 3.362 3.536 1.00 1.79 C ATOM 260 CE2 TYR A 19 -3.456 5.097 3.028 1.00 2.66 C ATOM 261 CZ TYR A 19 -4.778 4.606 2.950 1.00 1.69 C ATOM 262 OH TYR A 19 -5.748 5.321 2.318 1.00 2.12 O ATOM 0 H TYR A 19 -2.447 -0.214 4.482 1.00 0.70 H new ATOM 0 HA TYR A 19 -0.433 1.712 3.438 1.00 0.77 H new ATOM 0 HB2 TYR A 19 -2.199 1.869 5.913 1.00 0.86 H new ATOM 0 HB3 TYR A 19 -0.990 3.042 5.429 1.00 0.86 H new ATOM 0 HD1 TYR A 19 -4.365 1.693 4.692 1.00 1.58 H new ATOM 0 HD2 TYR A 19 -1.439 4.688 3.689 1.00 2.41 H new ATOM 0 HE1 TYR A 19 -6.100 2.972 3.460 1.00 1.79 H new ATOM 0 HE2 TYR A 19 -3.209 6.056 2.597 1.00 2.66 H new ATOM 0 HH TYR A 19 -5.366 6.154 1.970 1.00 2.12 H new ATOM 272 N LEU A 20 1.269 0.640 5.058 1.00 1.60 N ATOM 273 CA LEU A 20 2.244 -0.281 5.666 1.00 1.62 C ATOM 274 C LEU A 20 3.686 0.226 5.594 1.00 1.39 C ATOM 275 O LEU A 20 4.069 0.888 4.631 1.00 1.08 O ATOM 276 CB LEU A 20 2.101 -1.691 5.032 1.00 1.64 C ATOM 277 CG LEU A 20 2.497 -1.781 3.537 1.00 1.47 C ATOM 278 CD1 LEU A 20 3.915 -2.338 3.376 1.00 1.82 C ATOM 279 CD2 LEU A 20 1.528 -2.670 2.746 1.00 1.96 C ATOM 0 H LEU A 20 1.695 1.405 4.535 1.00 1.60 H new ATOM 0 HA LEU A 20 2.014 -0.341 6.730 1.00 1.62 H new ATOM 0 HB2 LEU A 20 2.716 -2.391 5.598 1.00 1.64 H new ATOM 0 HB3 LEU A 20 1.066 -2.017 5.138 1.00 1.64 H new ATOM 0 HG LEU A 20 2.453 -0.766 3.142 1.00 1.47 H new ATOM 0 HD11 LEU A 20 4.167 -2.391 2.317 1.00 1.82 H new ATOM 0 HD12 LEU A 20 4.623 -1.684 3.886 1.00 1.82 H new ATOM 0 HD13 LEU A 20 3.965 -3.336 3.811 1.00 1.82 H new ATOM 0 HD21 LEU A 20 1.839 -2.708 1.702 1.00 1.96 H new ATOM 0 HD22 LEU A 20 1.535 -3.677 3.164 1.00 1.96 H new ATOM 0 HD23 LEU A 20 0.521 -2.257 2.810 1.00 1.96 H new ATOM 291 N THR A 21 4.501 -0.156 6.583 1.00 1.68 N ATOM 292 CA THR A 21 5.952 0.077 6.647 1.00 1.55 C ATOM 293 C THR A 21 6.709 -0.920 5.785 1.00 1.48 C ATOM 294 O THR A 21 6.670 -2.124 6.038 1.00 1.70 O ATOM 295 CB THR A 21 6.440 -0.043 8.092 1.00 1.70 C ATOM 296 OG1 THR A 21 5.768 0.920 8.851 1.00 2.25 O ATOM 297 CG2 THR A 21 7.934 0.217 8.233 1.00 2.17 C ATOM 0 H THR A 21 4.153 -0.659 7.399 1.00 1.68 H new ATOM 0 HA THR A 21 6.143 1.082 6.271 1.00 1.55 H new ATOM 0 HB THR A 21 6.243 -1.061 8.428 1.00 1.70 H new ATOM 0 HG1 THR A 21 6.324 1.181 9.614 1.00 2.25 H new ATOM 0 HG21 THR A 21 8.223 0.118 9.279 1.00 2.17 H new ATOM 0 HG22 THR A 21 8.487 -0.506 7.634 1.00 2.17 H new ATOM 0 HG23 THR A 21 8.162 1.225 7.887 1.00 2.17 H new ATOM 305 N LEU A 22 7.479 -0.408 4.831 1.00 1.49 N ATOM 306 CA LEU A 22 8.604 -1.125 4.237 1.00 1.67 C ATOM 307 C LEU A 22 9.805 -1.018 5.175 1.00 1.28 C ATOM 308 O LEU A 22 10.234 0.082 5.527 1.00 1.24 O ATOM 309 CB LEU A 22 8.940 -0.549 2.842 1.00 2.22 C ATOM 310 CG LEU A 22 8.332 -1.295 1.645 1.00 2.70 C ATOM 311 CD1 LEU A 22 9.054 -2.619 1.398 1.00 2.94 C ATOM 312 CD2 LEU A 22 6.830 -1.543 1.815 1.00 3.18 C ATOM 0 H LEU A 22 7.339 0.525 4.444 1.00 1.49 H new ATOM 0 HA LEU A 22 8.342 -2.175 4.104 1.00 1.67 H new ATOM 0 HB2 LEU A 22 8.605 0.488 2.808 1.00 2.22 H new ATOM 0 HB3 LEU A 22 10.024 -0.538 2.726 1.00 2.22 H new ATOM 0 HG LEU A 22 8.466 -0.649 0.777 1.00 2.70 H new ATOM 0 HD11 LEU A 22 8.603 -3.126 0.545 1.00 2.94 H new ATOM 0 HD12 LEU A 22 10.107 -2.426 1.190 1.00 2.94 H new ATOM 0 HD13 LEU A 22 8.968 -3.251 2.282 1.00 2.94 H new ATOM 0 HD21 LEU A 22 6.448 -2.073 0.943 1.00 3.18 H new ATOM 0 HD22 LEU A 22 6.659 -2.144 2.708 1.00 3.18 H new ATOM 0 HD23 LEU A 22 6.313 -0.589 1.915 1.00 3.18 H new ATOM 324 N GLU A 23 10.355 -2.168 5.540 1.00 1.20 N ATOM 325 CA GLU A 23 11.699 -2.307 6.090 1.00 1.03 C ATOM 326 C GLU A 23 12.647 -2.669 4.937 1.00 1.00 C ATOM 327 O GLU A 23 12.288 -3.439 4.045 1.00 1.30 O ATOM 328 CB GLU A 23 11.686 -3.413 7.155 1.00 1.32 C ATOM 329 CG GLU A 23 13.014 -3.545 7.917 1.00 2.31 C ATOM 330 CD GLU A 23 13.136 -4.899 8.610 1.00 2.92 C ATOM 331 OE1 GLU A 23 12.884 -5.924 7.932 1.00 3.90 O ATOM 332 OE2 GLU A 23 13.532 -4.916 9.790 1.00 3.52 O ATOM 0 H GLU A 23 9.864 -3.058 5.459 1.00 1.20 H new ATOM 0 HA GLU A 23 12.035 -1.381 6.557 1.00 1.03 H new ATOM 0 HB2 GLU A 23 10.886 -3.211 7.867 1.00 1.32 H new ATOM 0 HB3 GLU A 23 11.454 -4.365 6.677 1.00 1.32 H new ATOM 0 HG2 GLU A 23 13.845 -3.415 7.224 1.00 2.31 H new ATOM 0 HG3 GLU A 23 13.089 -2.749 8.658 1.00 2.31 H new ATOM 339 N ASN A 24 13.869 -2.134 4.958 1.00 0.91 N ATOM 340 CA ASN A 24 14.929 -2.467 4.007 1.00 0.89 C ATOM 341 C ASN A 24 16.089 -3.172 4.740 1.00 0.74 C ATOM 342 O ASN A 24 17.149 -2.572 4.915 1.00 0.76 O ATOM 343 CB ASN A 24 15.340 -1.155 3.312 1.00 1.14 C ATOM 344 CG ASN A 24 16.066 -1.321 1.982 1.00 1.37 C ATOM 345 OD1 ASN A 24 15.756 -0.646 1.019 1.00 3.21 O ATOM 346 ND2 ASN A 24 17.039 -2.204 1.863 1.00 1.25 N ATOM 0 H ASN A 24 14.155 -1.443 5.652 1.00 0.91 H new ATOM 0 HA ASN A 24 14.596 -3.171 3.244 1.00 0.89 H new ATOM 0 HB2 ASN A 24 14.445 -0.555 3.146 1.00 1.14 H new ATOM 0 HB3 ASN A 24 15.981 -0.590 3.989 1.00 1.14 H new ATOM 0 HD21 ASN A 24 17.521 -2.314 0.971 1.00 1.25 H new ATOM 0 HD22 ASN A 24 17.309 -2.776 2.663 1.00 1.25 H new ATOM 353 N PRO A 25 15.929 -4.440 5.169 1.00 0.92 N ATOM 354 CA PRO A 25 16.913 -5.128 6.010 1.00 0.99 C ATOM 355 C PRO A 25 18.271 -5.379 5.335 1.00 0.99 C ATOM 356 O PRO A 25 19.268 -5.561 6.035 1.00 1.10 O ATOM 357 CB PRO A 25 16.235 -6.445 6.416 1.00 1.17 C ATOM 358 CG PRO A 25 15.232 -6.695 5.288 1.00 1.31 C ATOM 359 CD PRO A 25 14.768 -5.291 4.943 1.00 1.19 C ATOM 0 HA PRO A 25 17.174 -4.500 6.862 1.00 0.99 H new ATOM 0 HB2 PRO A 25 16.956 -7.258 6.499 1.00 1.17 H new ATOM 0 HB3 PRO A 25 15.738 -6.359 7.383 1.00 1.17 H new ATOM 0 HG2 PRO A 25 15.696 -7.190 4.435 1.00 1.31 H new ATOM 0 HG3 PRO A 25 14.406 -7.327 5.613 1.00 1.31 H new ATOM 0 HD2 PRO A 25 14.431 -5.231 3.908 1.00 1.19 H new ATOM 0 HD3 PRO A 25 13.929 -4.988 5.570 1.00 1.19 H new ATOM 367 N GLY A 26 18.347 -5.355 3.996 1.00 0.93 N ATOM 368 CA GLY A 26 19.590 -5.490 3.246 1.00 0.99 C ATOM 369 C GLY A 26 20.421 -4.210 3.229 1.00 0.96 C ATOM 370 O GLY A 26 20.095 -3.195 3.835 1.00 1.25 O ATOM 0 H GLY A 26 17.528 -5.239 3.400 1.00 0.93 H new ATOM 0 HA2 GLY A 26 20.183 -6.295 3.679 1.00 0.99 H new ATOM 0 HA3 GLY A 26 19.359 -5.780 2.221 1.00 0.99 H new ATOM 374 N ASP A 27 21.534 -4.298 2.517 1.00 0.97 N ATOM 375 CA ASP A 27 22.635 -3.338 2.493 1.00 1.30 C ATOM 376 C ASP A 27 22.643 -2.495 1.207 1.00 1.33 C ATOM 377 O ASP A 27 23.447 -1.584 1.031 1.00 1.58 O ATOM 378 CB ASP A 27 23.895 -4.194 2.637 1.00 1.60 C ATOM 379 CG ASP A 27 23.934 -4.825 4.031 1.00 2.11 C ATOM 380 OD1 ASP A 27 24.459 -4.183 4.963 1.00 2.81 O ATOM 381 OD2 ASP A 27 23.259 -5.859 4.241 1.00 2.86 O ATOM 0 H ASP A 27 21.707 -5.092 1.900 1.00 0.97 H new ATOM 0 HA ASP A 27 22.552 -2.602 3.293 1.00 1.30 H new ATOM 0 HB2 ASP A 27 23.906 -4.973 1.874 1.00 1.60 H new ATOM 0 HB3 ASP A 27 24.783 -3.581 2.480 1.00 1.60 H new ATOM 386 N LEU A 28 21.689 -2.800 0.327 1.00 1.11 N ATOM 387 CA LEU A 28 21.383 -2.127 -0.924 1.00 1.12 C ATOM 388 C LEU A 28 19.917 -1.644 -0.918 1.00 1.00 C ATOM 389 O LEU A 28 19.106 -2.202 -0.168 1.00 0.87 O ATOM 390 CB LEU A 28 21.757 -3.089 -2.068 1.00 1.19 C ATOM 391 CG LEU A 28 20.948 -4.404 -2.169 1.00 1.50 C ATOM 392 CD1 LEU A 28 19.626 -4.240 -2.938 1.00 2.05 C ATOM 393 CD2 LEU A 28 21.793 -5.468 -2.884 1.00 1.79 C ATOM 0 H LEU A 28 21.063 -3.589 0.489 1.00 1.11 H new ATOM 0 HA LEU A 28 21.966 -1.217 -1.068 1.00 1.12 H new ATOM 0 HB2 LEU A 28 21.651 -2.552 -3.011 1.00 1.19 H new ATOM 0 HB3 LEU A 28 22.811 -3.346 -1.964 1.00 1.19 H new ATOM 0 HG LEU A 28 20.706 -4.703 -1.149 1.00 1.50 H new ATOM 0 HD11 LEU A 28 19.105 -5.197 -2.974 1.00 2.05 H new ATOM 0 HD12 LEU A 28 19.000 -3.505 -2.432 1.00 2.05 H new ATOM 0 HD13 LEU A 28 19.835 -3.902 -3.953 1.00 2.05 H new ATOM 0 HD21 LEU A 28 21.225 -6.396 -2.956 1.00 1.79 H new ATOM 0 HD22 LEU A 28 22.047 -5.119 -3.885 1.00 1.79 H new ATOM 0 HD23 LEU A 28 22.708 -5.646 -2.319 1.00 1.79 H new ATOM 405 N PRO A 29 19.566 -0.614 -1.709 1.00 1.11 N ATOM 406 CA PRO A 29 18.247 0.004 -1.661 1.00 1.07 C ATOM 407 C PRO A 29 17.210 -0.861 -2.373 1.00 0.96 C ATOM 408 O PRO A 29 17.473 -1.432 -3.433 1.00 1.06 O ATOM 409 CB PRO A 29 18.407 1.368 -2.331 1.00 1.24 C ATOM 410 CG PRO A 29 19.543 1.142 -3.328 1.00 1.36 C ATOM 411 CD PRO A 29 20.416 0.068 -2.673 1.00 1.32 C ATOM 0 HA PRO A 29 17.886 0.111 -0.638 1.00 1.07 H new ATOM 0 HB2 PRO A 29 17.490 1.680 -2.831 1.00 1.24 H new ATOM 0 HB3 PRO A 29 18.656 2.144 -1.607 1.00 1.24 H new ATOM 0 HG2 PRO A 29 19.163 0.811 -4.295 1.00 1.36 H new ATOM 0 HG3 PRO A 29 20.106 2.059 -3.504 1.00 1.36 H new ATOM 0 HD2 PRO A 29 20.798 -0.630 -3.418 1.00 1.32 H new ATOM 0 HD3 PRO A 29 21.280 0.515 -2.182 1.00 1.32 H new ATOM 419 N LEU A 30 16.014 -0.930 -1.787 1.00 0.85 N ATOM 420 CA LEU A 30 14.851 -1.580 -2.381 1.00 0.74 C ATOM 421 C LEU A 30 13.973 -0.597 -3.147 1.00 0.72 C ATOM 422 O LEU A 30 13.830 0.577 -2.815 1.00 0.76 O ATOM 423 CB LEU A 30 14.026 -2.308 -1.311 1.00 0.67 C ATOM 424 CG LEU A 30 14.688 -3.604 -0.830 1.00 0.70 C ATOM 425 CD1 LEU A 30 14.028 -4.066 0.476 1.00 1.82 C ATOM 426 CD2 LEU A 30 14.613 -4.751 -1.847 1.00 1.27 C ATOM 0 H LEU A 30 15.826 -0.527 -0.869 1.00 0.85 H new ATOM 0 HA LEU A 30 15.227 -2.312 -3.096 1.00 0.74 H new ATOM 0 HB2 LEU A 30 13.877 -1.644 -0.460 1.00 0.67 H new ATOM 0 HB3 LEU A 30 13.039 -2.537 -1.713 1.00 0.67 H new ATOM 0 HG LEU A 30 15.742 -3.369 -0.685 1.00 0.70 H new ATOM 0 HD11 LEU A 30 14.500 -4.988 0.816 1.00 1.82 H new ATOM 0 HD12 LEU A 30 14.148 -3.295 1.237 1.00 1.82 H new ATOM 0 HD13 LEU A 30 12.967 -4.244 0.304 1.00 1.82 H new ATOM 0 HD21 LEU A 30 15.102 -5.634 -1.436 1.00 1.27 H new ATOM 0 HD22 LEU A 30 13.569 -4.981 -2.060 1.00 1.27 H new ATOM 0 HD23 LEU A 30 15.114 -4.454 -2.768 1.00 1.27 H new ATOM 438 N ARG A 31 13.317 -1.172 -4.148 1.00 0.67 N ATOM 439 CA ARG A 31 12.411 -0.487 -5.077 1.00 0.62 C ATOM 440 C ARG A 31 11.143 -1.304 -5.288 1.00 0.57 C ATOM 441 O ARG A 31 11.178 -2.337 -5.955 1.00 0.59 O ATOM 442 CB ARG A 31 13.126 -0.257 -6.410 1.00 0.62 C ATOM 443 CG ARG A 31 12.227 0.457 -7.440 1.00 0.51 C ATOM 444 CD ARG A 31 12.948 1.507 -8.291 1.00 0.75 C ATOM 445 NE ARG A 31 14.212 1.014 -8.873 1.00 1.03 N ATOM 446 CZ ARG A 31 15.429 1.488 -8.603 1.00 1.13 C ATOM 447 NH1 ARG A 31 15.640 2.430 -7.718 1.00 2.25 N ATOM 448 NH2 ARG A 31 16.476 1.008 -9.236 1.00 2.06 N ATOM 0 H ARG A 31 13.402 -2.169 -4.347 1.00 0.67 H new ATOM 0 HA ARG A 31 12.126 0.476 -4.652 1.00 0.62 H new ATOM 0 HB2 ARG A 31 14.024 0.337 -6.241 1.00 0.62 H new ATOM 0 HB3 ARG A 31 13.450 -1.215 -6.816 1.00 0.62 H new ATOM 0 HG2 ARG A 31 11.789 -0.291 -8.102 1.00 0.51 H new ATOM 0 HG3 ARG A 31 11.403 0.938 -6.913 1.00 0.51 H new ATOM 0 HD2 ARG A 31 12.287 1.830 -9.095 1.00 0.75 H new ATOM 0 HD3 ARG A 31 13.155 2.383 -7.677 1.00 0.75 H new ATOM 0 HE ARG A 31 14.149 0.244 -9.539 1.00 1.03 H new ATOM 0 HH11 ARG A 31 14.856 2.831 -7.203 1.00 2.25 H new ATOM 0 HH12 ARG A 31 16.588 2.763 -7.543 1.00 2.25 H new ATOM 0 HH21 ARG A 31 16.358 0.273 -9.933 1.00 2.06 H new ATOM 0 HH22 ARG A 31 17.407 1.370 -9.030 1.00 2.06 H new ATOM 462 N LEU A 32 10.035 -0.858 -4.715 1.00 0.54 N ATOM 463 CA LEU A 32 8.756 -1.559 -4.658 1.00 0.51 C ATOM 464 C LEU A 32 7.889 -1.158 -5.848 1.00 0.51 C ATOM 465 O LEU A 32 7.376 -0.046 -5.885 1.00 0.56 O ATOM 466 CB LEU A 32 8.127 -1.183 -3.315 1.00 0.53 C ATOM 467 CG LEU A 32 6.751 -1.813 -3.024 1.00 0.59 C ATOM 468 CD1 LEU A 32 6.898 -3.290 -2.637 1.00 1.54 C ATOM 469 CD2 LEU A 32 6.097 -1.024 -1.884 1.00 1.86 C ATOM 0 H LEU A 32 10.000 0.050 -4.252 1.00 0.54 H new ATOM 0 HA LEU A 32 8.869 -2.641 -4.723 1.00 0.51 H new ATOM 0 HB2 LEU A 32 8.814 -1.471 -2.519 1.00 0.53 H new ATOM 0 HB3 LEU A 32 8.026 -0.098 -3.272 1.00 0.53 H new ATOM 0 HG LEU A 32 6.129 -1.769 -3.918 1.00 0.59 H new ATOM 0 HD11 LEU A 32 5.914 -3.713 -2.436 1.00 1.54 H new ATOM 0 HD12 LEU A 32 7.368 -3.836 -3.456 1.00 1.54 H new ATOM 0 HD13 LEU A 32 7.517 -3.372 -1.744 1.00 1.54 H new ATOM 0 HD21 LEU A 32 5.120 -1.452 -1.659 1.00 1.86 H new ATOM 0 HD22 LEU A 32 6.728 -1.075 -0.997 1.00 1.86 H new ATOM 0 HD23 LEU A 32 5.977 0.017 -2.184 1.00 1.86 H new ATOM 481 N VAL A 33 7.726 -2.082 -6.791 1.00 0.49 N ATOM 482 CA VAL A 33 7.000 -1.881 -8.059 1.00 0.47 C ATOM 483 C VAL A 33 5.577 -2.480 -7.995 1.00 0.54 C ATOM 484 O VAL A 33 4.723 -2.122 -8.802 1.00 0.59 O ATOM 485 CB VAL A 33 7.767 -2.513 -9.254 1.00 0.49 C ATOM 486 CG1 VAL A 33 9.174 -1.907 -9.430 1.00 0.45 C ATOM 487 CG2 VAL A 33 7.952 -4.039 -9.143 1.00 0.57 C ATOM 0 H VAL A 33 8.105 -3.025 -6.699 1.00 0.49 H new ATOM 0 HA VAL A 33 6.925 -0.804 -8.212 1.00 0.47 H new ATOM 0 HB VAL A 33 7.132 -2.288 -10.111 1.00 0.49 H new ATOM 0 HG11 VAL A 33 9.671 -2.380 -10.277 1.00 0.45 H new ATOM 0 HG12 VAL A 33 9.089 -0.836 -9.612 1.00 0.45 H new ATOM 0 HG13 VAL A 33 9.759 -2.076 -8.526 1.00 0.45 H new ATOM 0 HG21 VAL A 33 8.496 -4.404 -10.014 1.00 0.57 H new ATOM 0 HG22 VAL A 33 8.516 -4.272 -8.240 1.00 0.57 H new ATOM 0 HG23 VAL A 33 6.976 -4.521 -9.096 1.00 0.57 H new ATOM 497 N GLY A 34 5.332 -3.427 -7.069 1.00 0.56 N ATOM 498 CA GLY A 34 4.065 -4.156 -6.924 1.00 0.63 C ATOM 499 C GLY A 34 3.833 -4.769 -5.537 1.00 0.67 C ATOM 500 O GLY A 34 4.673 -4.672 -4.643 1.00 0.65 O ATOM 0 H GLY A 34 6.032 -3.711 -6.384 1.00 0.56 H new ATOM 0 HA2 GLY A 34 3.243 -3.476 -7.148 1.00 0.63 H new ATOM 0 HA3 GLY A 34 4.032 -4.952 -7.668 1.00 0.63 H new ATOM 504 N ALA A 35 2.704 -5.465 -5.396 1.00 0.74 N ATOM 505 CA ALA A 35 2.303 -6.283 -4.246 1.00 0.76 C ATOM 506 C ALA A 35 1.280 -7.353 -4.677 1.00 0.78 C ATOM 507 O ALA A 35 0.989 -7.457 -5.868 1.00 0.80 O ATOM 508 CB ALA A 35 1.787 -5.374 -3.124 1.00 0.89 C ATOM 0 H ALA A 35 1.997 -5.474 -6.131 1.00 0.74 H new ATOM 0 HA ALA A 35 3.164 -6.824 -3.853 1.00 0.76 H new ATOM 0 HB1 ALA A 35 1.489 -5.983 -2.270 1.00 0.89 H new ATOM 0 HB2 ALA A 35 2.576 -4.686 -2.821 1.00 0.89 H new ATOM 0 HB3 ALA A 35 0.928 -4.806 -3.482 1.00 0.89 H new ATOM 514 N ARG A 36 0.762 -8.178 -3.758 1.00 0.77 N ATOM 515 CA ARG A 36 -0.275 -9.179 -4.062 1.00 0.66 C ATOM 516 C ARG A 36 -0.970 -9.602 -2.766 1.00 0.62 C ATOM 517 O ARG A 36 -0.366 -9.544 -1.703 1.00 0.86 O ATOM 518 CB ARG A 36 0.327 -10.334 -4.898 1.00 0.63 C ATOM 519 CG ARG A 36 -0.453 -11.655 -4.851 1.00 1.83 C ATOM 520 CD ARG A 36 0.263 -12.748 -5.651 1.00 1.69 C ATOM 521 NE ARG A 36 -0.579 -13.950 -5.787 1.00 2.70 N ATOM 522 CZ ARG A 36 -0.740 -14.909 -4.878 1.00 3.91 C ATOM 523 NH1 ARG A 36 -0.136 -14.900 -3.706 1.00 4.54 N ATOM 524 NH2 ARG A 36 -1.546 -15.914 -5.153 1.00 4.99 N ATOM 0 H ARG A 36 1.049 -8.172 -2.779 1.00 0.77 H new ATOM 0 HA ARG A 36 -1.059 -8.758 -4.692 1.00 0.66 H new ATOM 0 HB2 ARG A 36 0.398 -10.010 -5.936 1.00 0.63 H new ATOM 0 HB3 ARG A 36 1.344 -10.519 -4.552 1.00 0.63 H new ATOM 0 HG2 ARG A 36 -0.570 -11.975 -3.816 1.00 1.83 H new ATOM 0 HG3 ARG A 36 -1.455 -11.504 -5.253 1.00 1.83 H new ATOM 0 HD2 ARG A 36 0.521 -12.368 -6.640 1.00 1.69 H new ATOM 0 HD3 ARG A 36 1.198 -13.010 -5.156 1.00 1.69 H new ATOM 0 HE ARG A 36 -1.089 -14.058 -6.664 1.00 2.70 H new ATOM 0 HH11 ARG A 36 0.489 -14.133 -3.460 1.00 4.54 H new ATOM 0 HH12 ARG A 36 -0.294 -15.660 -3.045 1.00 4.54 H new ATOM 0 HH21 ARG A 36 -2.033 -15.947 -6.049 1.00 4.99 H new ATOM 0 HH22 ARG A 36 -1.683 -16.659 -4.470 1.00 4.99 H new ATOM 538 N THR A 37 -2.236 -10.017 -2.817 1.00 0.67 N ATOM 539 CA THR A 37 -3.038 -10.348 -1.628 1.00 0.69 C ATOM 540 C THR A 37 -4.064 -11.423 -1.978 1.00 0.71 C ATOM 541 O THR A 37 -4.472 -11.496 -3.136 1.00 0.67 O ATOM 542 CB THR A 37 -3.686 -9.081 -1.055 1.00 0.71 C ATOM 543 OG1 THR A 37 -4.639 -9.400 -0.078 1.00 0.78 O ATOM 544 CG2 THR A 37 -4.412 -8.222 -2.089 1.00 0.67 C ATOM 0 H THR A 37 -2.744 -10.136 -3.694 1.00 0.67 H new ATOM 0 HA THR A 37 -2.393 -10.755 -0.849 1.00 0.69 H new ATOM 0 HB THR A 37 -2.846 -8.518 -0.650 1.00 0.71 H new ATOM 0 HG1 THR A 37 -5.036 -8.576 0.273 1.00 0.78 H new ATOM 0 HG21 THR A 37 -4.840 -7.347 -1.599 1.00 0.67 H new ATOM 0 HG22 THR A 37 -3.706 -7.900 -2.855 1.00 0.67 H new ATOM 0 HG23 THR A 37 -5.208 -8.805 -2.552 1.00 0.67 H new ATOM 552 N PRO A 38 -4.518 -12.235 -1.005 1.00 0.81 N ATOM 553 CA PRO A 38 -5.623 -13.163 -1.207 1.00 0.89 C ATOM 554 C PRO A 38 -6.989 -12.478 -1.304 1.00 0.89 C ATOM 555 O PRO A 38 -7.965 -13.154 -1.605 1.00 1.01 O ATOM 556 CB PRO A 38 -5.550 -14.110 -0.013 1.00 1.00 C ATOM 557 CG PRO A 38 -4.929 -13.278 1.104 1.00 1.02 C ATOM 558 CD PRO A 38 -3.973 -12.366 0.342 1.00 0.90 C ATOM 0 HA PRO A 38 -5.527 -13.679 -2.162 1.00 0.89 H new ATOM 0 HB2 PRO A 38 -6.539 -14.472 0.266 1.00 1.00 H new ATOM 0 HB3 PRO A 38 -4.942 -14.986 -0.239 1.00 1.00 H new ATOM 0 HG2 PRO A 38 -5.680 -12.711 1.653 1.00 1.02 H new ATOM 0 HG3 PRO A 38 -4.405 -13.900 1.830 1.00 1.02 H new ATOM 0 HD2 PRO A 38 -3.895 -11.393 0.826 1.00 0.90 H new ATOM 0 HD3 PRO A 38 -2.969 -12.790 0.316 1.00 0.90 H new ATOM 566 N VAL A 39 -7.066 -11.166 -1.040 1.00 0.82 N ATOM 567 CA VAL A 39 -8.334 -10.394 -1.003 1.00 0.86 C ATOM 568 C VAL A 39 -8.360 -9.175 -1.944 1.00 0.88 C ATOM 569 O VAL A 39 -8.852 -8.106 -1.598 1.00 0.94 O ATOM 570 CB VAL A 39 -8.756 -10.030 0.439 1.00 0.90 C ATOM 571 CG1 VAL A 39 -9.009 -11.296 1.273 1.00 0.96 C ATOM 572 CG2 VAL A 39 -7.733 -9.155 1.180 1.00 0.92 C ATOM 0 H VAL A 39 -6.243 -10.596 -0.842 1.00 0.82 H new ATOM 0 HA VAL A 39 -9.089 -11.073 -1.400 1.00 0.86 H new ATOM 0 HB VAL A 39 -9.673 -9.450 0.330 1.00 0.90 H new ATOM 0 HG11 VAL A 39 -9.304 -11.013 2.283 1.00 0.96 H new ATOM 0 HG12 VAL A 39 -9.805 -11.882 0.813 1.00 0.96 H new ATOM 0 HG13 VAL A 39 -8.097 -11.892 1.315 1.00 0.96 H new ATOM 0 HG21 VAL A 39 -8.098 -8.941 2.185 1.00 0.92 H new ATOM 0 HG22 VAL A 39 -6.782 -9.683 1.244 1.00 0.92 H new ATOM 0 HG23 VAL A 39 -7.593 -8.220 0.637 1.00 0.92 H new ATOM 582 N ALA A 40 -7.898 -9.360 -3.181 1.00 0.86 N ATOM 583 CA ALA A 40 -8.123 -8.458 -4.323 1.00 0.87 C ATOM 584 C ALA A 40 -7.948 -9.244 -5.634 1.00 0.96 C ATOM 585 O ALA A 40 -7.545 -10.409 -5.608 1.00 1.30 O ATOM 586 CB ALA A 40 -7.139 -7.279 -4.246 1.00 0.82 C ATOM 0 H ALA A 40 -7.334 -10.173 -3.430 1.00 0.86 H new ATOM 0 HA ALA A 40 -9.137 -8.059 -4.293 1.00 0.87 H new ATOM 0 HB1 ALA A 40 -7.305 -6.611 -5.091 1.00 0.82 H new ATOM 0 HB2 ALA A 40 -7.297 -6.733 -3.316 1.00 0.82 H new ATOM 0 HB3 ALA A 40 -6.117 -7.656 -4.277 1.00 0.82 H new ATOM 592 N GLU A 41 -8.215 -8.594 -6.763 1.00 0.91 N ATOM 593 CA GLU A 41 -7.736 -9.013 -8.084 1.00 0.97 C ATOM 594 C GLU A 41 -6.763 -7.953 -8.617 1.00 1.09 C ATOM 595 O GLU A 41 -5.566 -8.193 -8.778 1.00 1.61 O ATOM 596 CB GLU A 41 -8.932 -9.210 -9.039 1.00 0.94 C ATOM 597 CG GLU A 41 -8.590 -10.158 -10.195 1.00 1.15 C ATOM 598 CD GLU A 41 -8.567 -11.587 -9.672 1.00 2.03 C ATOM 599 OE1 GLU A 41 -9.658 -12.178 -9.549 1.00 2.31 O ATOM 600 OE2 GLU A 41 -7.524 -12.044 -9.164 1.00 3.50 O ATOM 0 H GLU A 41 -8.780 -7.745 -6.790 1.00 0.91 H new ATOM 0 HA GLU A 41 -7.211 -9.966 -8.011 1.00 0.97 H new ATOM 0 HB2 GLU A 41 -9.780 -9.608 -8.482 1.00 0.94 H new ATOM 0 HB3 GLU A 41 -9.239 -8.244 -9.440 1.00 0.94 H new ATOM 0 HG2 GLU A 41 -9.327 -10.061 -10.993 1.00 1.15 H new ATOM 0 HG3 GLU A 41 -7.622 -9.897 -10.622 1.00 1.15 H new ATOM 607 N ARG A 42 -7.250 -6.718 -8.775 1.00 0.97 N ATOM 608 CA ARG A 42 -6.393 -5.570 -9.045 1.00 1.09 C ATOM 609 C ARG A 42 -5.817 -5.065 -7.725 1.00 0.90 C ATOM 610 O ARG A 42 -6.499 -4.410 -6.940 1.00 1.21 O ATOM 611 CB ARG A 42 -7.143 -4.455 -9.788 1.00 1.38 C ATOM 612 CG ARG A 42 -7.490 -4.841 -11.235 1.00 1.54 C ATOM 613 CD ARG A 42 -8.041 -3.644 -12.027 1.00 2.17 C ATOM 614 NE ARG A 42 -7.005 -2.633 -12.300 1.00 3.51 N ATOM 615 CZ ARG A 42 -6.136 -2.612 -13.300 1.00 4.03 C ATOM 616 NH1 ARG A 42 -6.087 -3.541 -14.236 1.00 3.85 N ATOM 617 NH2 ARG A 42 -5.297 -1.608 -13.336 1.00 5.73 N ATOM 0 H ARG A 42 -8.243 -6.492 -8.719 1.00 0.97 H new ATOM 0 HA ARG A 42 -5.582 -5.883 -9.702 1.00 1.09 H new ATOM 0 HB2 ARG A 42 -8.060 -4.217 -9.249 1.00 1.38 H new ATOM 0 HB3 ARG A 42 -6.533 -3.552 -9.793 1.00 1.38 H new ATOM 0 HG2 ARG A 42 -6.600 -5.227 -11.732 1.00 1.54 H new ATOM 0 HG3 ARG A 42 -8.227 -5.644 -11.231 1.00 1.54 H new ATOM 0 HD2 ARG A 42 -8.460 -3.996 -12.970 1.00 2.17 H new ATOM 0 HD3 ARG A 42 -8.856 -3.185 -11.468 1.00 2.17 H new ATOM 0 HE ARG A 42 -6.950 -1.857 -11.641 1.00 3.51 H new ATOM 0 HH11 ARG A 42 -6.739 -4.325 -14.211 1.00 3.85 H new ATOM 0 HH12 ARG A 42 -5.397 -3.475 -14.984 1.00 3.85 H new ATOM 0 HH21 ARG A 42 -5.332 -0.888 -12.614 1.00 5.73 H new ATOM 0 HH22 ARG A 42 -4.608 -1.546 -14.086 1.00 5.73 H new ATOM 631 N VAL A 43 -4.533 -5.324 -7.520 1.00 0.84 N ATOM 632 CA VAL A 43 -3.682 -4.414 -6.738 1.00 0.66 C ATOM 633 C VAL A 43 -3.317 -3.219 -7.636 1.00 0.82 C ATOM 634 O VAL A 43 -3.271 -3.369 -8.859 1.00 1.40 O ATOM 635 CB VAL A 43 -2.415 -5.124 -6.219 1.00 0.61 C ATOM 636 CG1 VAL A 43 -1.411 -5.419 -7.347 1.00 0.89 C ATOM 637 CG2 VAL A 43 -1.738 -4.342 -5.083 1.00 0.85 C ATOM 0 H VAL A 43 -4.053 -6.149 -7.878 1.00 0.84 H new ATOM 0 HA VAL A 43 -4.225 -4.072 -5.857 1.00 0.66 H new ATOM 0 HB VAL A 43 -2.749 -6.079 -5.813 1.00 0.61 H new ATOM 0 HG11 VAL A 43 -0.535 -5.919 -6.933 1.00 0.89 H new ATOM 0 HG12 VAL A 43 -1.879 -6.063 -8.091 1.00 0.89 H new ATOM 0 HG13 VAL A 43 -1.106 -4.484 -7.817 1.00 0.89 H new ATOM 0 HG21 VAL A 43 -0.851 -4.880 -4.749 1.00 0.85 H new ATOM 0 HG22 VAL A 43 -1.450 -3.354 -5.443 1.00 0.85 H new ATOM 0 HG23 VAL A 43 -2.433 -4.236 -4.250 1.00 0.85 H new ATOM 647 N GLU A 44 -3.053 -2.047 -7.058 1.00 0.64 N ATOM 648 CA GLU A 44 -2.718 -0.838 -7.823 1.00 0.64 C ATOM 649 C GLU A 44 -1.918 0.160 -6.969 1.00 0.54 C ATOM 650 O GLU A 44 -2.426 0.656 -5.967 1.00 0.94 O ATOM 651 CB GLU A 44 -4.024 -0.227 -8.373 1.00 0.90 C ATOM 652 CG GLU A 44 -3.940 0.108 -9.862 1.00 1.21 C ATOM 653 CD GLU A 44 -5.311 0.553 -10.365 1.00 1.95 C ATOM 654 OE1 GLU A 44 -5.695 1.689 -10.020 1.00 3.00 O ATOM 655 OE2 GLU A 44 -5.962 -0.252 -11.079 1.00 2.74 O ATOM 0 H GLU A 44 -3.064 -1.905 -6.048 1.00 0.64 H new ATOM 0 HA GLU A 44 -2.072 -1.097 -8.662 1.00 0.64 H new ATOM 0 HB2 GLU A 44 -4.844 -0.926 -8.208 1.00 0.90 H new ATOM 0 HB3 GLU A 44 -4.260 0.679 -7.814 1.00 0.90 H new ATOM 0 HG2 GLU A 44 -3.207 0.898 -10.027 1.00 1.21 H new ATOM 0 HG3 GLU A 44 -3.601 -0.763 -10.423 1.00 1.21 H new ATOM 662 N LEU A 45 -0.659 0.449 -7.315 1.00 0.51 N ATOM 663 CA LEU A 45 0.212 1.291 -6.481 1.00 0.53 C ATOM 664 C LEU A 45 -0.070 2.786 -6.692 1.00 0.45 C ATOM 665 O LEU A 45 0.105 3.309 -7.795 1.00 0.45 O ATOM 666 CB LEU A 45 1.675 0.916 -6.762 1.00 0.84 C ATOM 667 CG LEU A 45 2.699 1.744 -5.962 1.00 0.47 C ATOM 668 CD1 LEU A 45 2.568 1.619 -4.436 1.00 0.90 C ATOM 669 CD2 LEU A 45 4.103 1.310 -6.383 1.00 1.08 C ATOM 0 H LEU A 45 -0.217 0.112 -8.170 1.00 0.51 H new ATOM 0 HA LEU A 45 0.002 1.105 -5.428 1.00 0.53 H new ATOM 0 HB2 LEU A 45 1.819 -0.140 -6.533 1.00 0.84 H new ATOM 0 HB3 LEU A 45 1.874 1.042 -7.826 1.00 0.84 H new ATOM 0 HG LEU A 45 2.503 2.791 -6.192 1.00 0.47 H new ATOM 0 HD11 LEU A 45 3.328 2.234 -3.954 1.00 0.90 H new ATOM 0 HD12 LEU A 45 1.578 1.956 -4.127 1.00 0.90 H new ATOM 0 HD13 LEU A 45 2.705 0.578 -4.143 1.00 0.90 H new ATOM 0 HD21 LEU A 45 4.844 1.885 -5.827 1.00 1.08 H new ATOM 0 HD22 LEU A 45 4.235 0.249 -6.172 1.00 1.08 H new ATOM 0 HD23 LEU A 45 4.233 1.486 -7.451 1.00 1.08 H new ATOM 681 N HIS A 46 -0.479 3.482 -5.626 1.00 0.44 N ATOM 682 CA HIS A 46 -0.946 4.870 -5.656 1.00 0.41 C ATOM 683 C HIS A 46 -0.195 5.821 -4.691 1.00 0.38 C ATOM 684 O HIS A 46 0.272 5.455 -3.607 1.00 0.43 O ATOM 685 CB HIS A 46 -2.453 4.894 -5.312 1.00 0.45 C ATOM 686 CG HIS A 46 -3.465 4.298 -6.271 1.00 0.47 C ATOM 687 ND1 HIS A 46 -4.821 4.214 -5.994 1.00 0.48 N ATOM 688 CD2 HIS A 46 -3.273 3.764 -7.518 1.00 0.48 C ATOM 689 CE1 HIS A 46 -5.416 3.646 -7.044 1.00 0.50 C ATOM 690 NE2 HIS A 46 -4.511 3.365 -7.994 1.00 0.51 N ATOM 0 H HIS A 46 -0.494 3.081 -4.688 1.00 0.44 H new ATOM 0 HA HIS A 46 -0.747 5.240 -6.662 1.00 0.41 H new ATOM 0 HB2 HIS A 46 -2.574 4.384 -4.356 1.00 0.45 H new ATOM 0 HB3 HIS A 46 -2.732 5.936 -5.155 1.00 0.45 H new ATOM 0 HD2 HIS A 46 -2.329 3.671 -8.035 1.00 0.48 H new ATOM 0 HE1 HIS A 46 -6.474 3.442 -7.119 1.00 0.50 H new ATOM 0 HE2 HIS A 46 -4.700 2.936 -8.900 1.00 0.51 H new ATOM 698 N GLU A 47 -0.187 7.093 -5.087 1.00 0.38 N ATOM 699 CA GLU A 47 0.117 8.261 -4.254 1.00 0.43 C ATOM 700 C GLU A 47 -1.171 8.903 -3.697 1.00 0.43 C ATOM 701 O GLU A 47 -2.290 8.497 -4.025 1.00 0.64 O ATOM 702 CB GLU A 47 0.953 9.270 -5.070 1.00 0.63 C ATOM 703 CG GLU A 47 0.180 9.910 -6.233 1.00 0.89 C ATOM 704 CD GLU A 47 0.914 11.033 -6.967 1.00 1.30 C ATOM 705 OE1 GLU A 47 2.104 10.902 -7.310 1.00 2.39 O ATOM 706 OE2 GLU A 47 0.234 12.010 -7.353 1.00 2.15 O ATOM 0 H GLU A 47 -0.404 7.353 -6.049 1.00 0.38 H new ATOM 0 HA GLU A 47 0.703 7.941 -3.392 1.00 0.43 H new ATOM 0 HB2 GLU A 47 1.309 10.057 -4.405 1.00 0.63 H new ATOM 0 HB3 GLU A 47 1.834 8.764 -5.465 1.00 0.63 H new ATOM 0 HG2 GLU A 47 -0.071 9.131 -6.953 1.00 0.89 H new ATOM 0 HG3 GLU A 47 -0.761 10.304 -5.849 1.00 0.89 H new ATOM 713 N THR A 48 -1.036 9.942 -2.873 1.00 0.55 N ATOM 714 CA THR A 48 -2.115 10.759 -2.293 1.00 0.44 C ATOM 715 C THR A 48 -1.500 12.114 -1.950 1.00 0.43 C ATOM 716 O THR A 48 -0.332 12.155 -1.569 1.00 0.50 O ATOM 717 CB THR A 48 -2.686 10.070 -1.049 1.00 0.52 C ATOM 718 OG1 THR A 48 -3.256 8.862 -1.480 1.00 0.71 O ATOM 719 CG2 THR A 48 -3.770 10.870 -0.331 1.00 0.61 C ATOM 0 H THR A 48 -0.115 10.260 -2.571 1.00 0.55 H new ATOM 0 HA THR A 48 -2.943 10.886 -2.990 1.00 0.44 H new ATOM 0 HB THR A 48 -1.870 9.946 -0.337 1.00 0.52 H new ATOM 0 HG1 THR A 48 -2.791 8.111 -1.056 1.00 0.71 H new ATOM 0 HG21 THR A 48 -4.120 10.311 0.537 1.00 0.61 H new ATOM 0 HG22 THR A 48 -3.361 11.827 -0.006 1.00 0.61 H new ATOM 0 HG23 THR A 48 -4.604 11.044 -1.011 1.00 0.61 H new ATOM 727 N PHE A 49 -2.237 13.215 -2.104 1.00 0.54 N ATOM 728 CA PHE A 49 -1.643 14.559 -2.090 1.00 0.61 C ATOM 729 C PHE A 49 -2.630 15.692 -1.800 1.00 0.60 C ATOM 730 O PHE A 49 -3.840 15.559 -1.976 1.00 0.60 O ATOM 731 CB PHE A 49 -0.936 14.811 -3.435 1.00 0.64 C ATOM 732 CG PHE A 49 -1.817 14.626 -4.660 1.00 0.61 C ATOM 733 CD1 PHE A 49 -2.712 15.644 -5.042 1.00 1.81 C ATOM 734 CD2 PHE A 49 -1.765 13.442 -5.421 1.00 2.05 C ATOM 735 CE1 PHE A 49 -3.534 15.495 -6.169 1.00 1.73 C ATOM 736 CE2 PHE A 49 -2.577 13.299 -6.554 1.00 2.21 C ATOM 737 CZ PHE A 49 -3.455 14.325 -6.941 1.00 0.87 C ATOM 0 H PHE A 49 -3.248 13.206 -2.240 1.00 0.54 H new ATOM 0 HA PHE A 49 -0.936 14.572 -1.260 1.00 0.61 H new ATOM 0 HB2 PHE A 49 -0.542 15.827 -3.438 1.00 0.64 H new ATOM 0 HB3 PHE A 49 -0.082 14.138 -3.513 1.00 0.64 H new ATOM 0 HD1 PHE A 49 -2.766 16.552 -4.459 1.00 1.81 H new ATOM 0 HD2 PHE A 49 -1.098 12.643 -5.131 1.00 2.05 H new ATOM 0 HE1 PHE A 49 -4.226 16.278 -6.442 1.00 1.73 H new ATOM 0 HE2 PHE A 49 -2.527 12.390 -7.136 1.00 2.21 H new ATOM 0 HZ PHE A 49 -4.065 14.215 -7.826 1.00 0.87 H new ATOM 747 N MET A 50 -2.080 16.853 -1.443 1.00 0.72 N ATOM 748 CA MET A 50 -2.778 18.145 -1.435 1.00 0.71 C ATOM 749 C MET A 50 -2.747 18.801 -2.824 1.00 0.71 C ATOM 750 O MET A 50 -1.772 18.658 -3.563 1.00 0.80 O ATOM 751 CB MET A 50 -2.211 19.065 -0.341 1.00 0.88 C ATOM 752 CG MET A 50 -0.733 19.420 -0.529 1.00 2.30 C ATOM 753 SD MET A 50 0.451 18.145 -0.022 1.00 3.90 S ATOM 754 CE MET A 50 1.994 19.012 -0.405 1.00 5.05 C ATOM 0 H MET A 50 -1.108 16.926 -1.142 1.00 0.72 H new ATOM 0 HA MET A 50 -3.826 17.969 -1.195 1.00 0.71 H new ATOM 0 HB2 MET A 50 -2.795 19.985 -0.316 1.00 0.88 H new ATOM 0 HB3 MET A 50 -2.337 18.581 0.628 1.00 0.88 H new ATOM 0 HG2 MET A 50 -0.564 19.649 -1.581 1.00 2.30 H new ATOM 0 HG3 MET A 50 -0.522 20.330 0.033 1.00 2.30 H new ATOM 0 HE1 MET A 50 2.842 18.374 -0.155 1.00 5.05 H new ATOM 0 HE2 MET A 50 2.022 19.253 -1.468 1.00 5.05 H new ATOM 0 HE3 MET A 50 2.049 19.932 0.177 1.00 5.05 H new ATOM 764 N ARG A 51 -3.813 19.515 -3.203 1.00 0.73 N ATOM 765 CA ARG A 51 -3.926 20.155 -4.521 1.00 0.83 C ATOM 766 C ARG A 51 -4.898 21.331 -4.511 1.00 1.06 C ATOM 767 O ARG A 51 -5.926 21.296 -3.840 1.00 1.23 O ATOM 768 CB ARG A 51 -4.343 19.128 -5.588 1.00 0.96 C ATOM 769 CG ARG A 51 -3.407 19.103 -6.811 1.00 1.18 C ATOM 770 CD ARG A 51 -3.927 19.999 -7.934 1.00 1.62 C ATOM 771 NE ARG A 51 -2.935 20.124 -9.014 1.00 2.72 N ATOM 772 CZ ARG A 51 -2.842 21.134 -9.870 1.00 3.48 C ATOM 773 NH1 ARG A 51 -3.665 22.163 -9.834 1.00 3.69 N ATOM 774 NH2 ARG A 51 -1.898 21.132 -10.790 1.00 4.62 N ATOM 0 H ARG A 51 -4.624 19.666 -2.604 1.00 0.73 H new ATOM 0 HA ARG A 51 -2.941 20.549 -4.770 1.00 0.83 H new ATOM 0 HB2 ARG A 51 -4.366 18.136 -5.137 1.00 0.96 H new ATOM 0 HB3 ARG A 51 -5.357 19.351 -5.920 1.00 0.96 H new ATOM 0 HG2 ARG A 51 -2.411 19.431 -6.514 1.00 1.18 H new ATOM 0 HG3 ARG A 51 -3.311 18.080 -7.176 1.00 1.18 H new ATOM 0 HD2 ARG A 51 -4.854 19.587 -8.333 1.00 1.62 H new ATOM 0 HD3 ARG A 51 -4.163 20.986 -7.536 1.00 1.62 H new ATOM 0 HE ARG A 51 -2.259 19.367 -9.113 1.00 2.72 H new ATOM 0 HH11 ARG A 51 -4.404 22.201 -9.132 1.00 3.69 H new ATOM 0 HH12 ARG A 51 -3.563 22.921 -10.508 1.00 3.69 H new ATOM 0 HH21 ARG A 51 -1.240 20.355 -10.844 1.00 4.62 H new ATOM 0 HH22 ARG A 51 -1.826 21.908 -11.448 1.00 4.62 H new ATOM 788 N GLU A 52 -4.607 22.334 -5.329 1.00 1.19 N ATOM 789 CA GLU A 52 -5.414 23.509 -5.575 1.00 1.34 C ATOM 790 C GLU A 52 -6.105 23.451 -6.946 1.00 1.43 C ATOM 791 O GLU A 52 -5.479 23.027 -7.920 1.00 1.46 O ATOM 792 CB GLU A 52 -4.439 24.694 -5.541 1.00 1.44 C ATOM 793 CG GLU A 52 -5.018 25.843 -4.746 1.00 1.39 C ATOM 794 CD GLU A 52 -5.175 25.546 -3.254 1.00 1.64 C ATOM 795 OE1 GLU A 52 -4.412 24.734 -2.685 1.00 2.78 O ATOM 796 OE2 GLU A 52 -6.078 26.129 -2.623 1.00 1.84 O ATOM 0 H GLU A 52 -3.743 22.343 -5.871 1.00 1.19 H new ATOM 0 HA GLU A 52 -6.205 23.592 -4.830 1.00 1.34 H new ATOM 0 HB2 GLU A 52 -3.493 24.380 -5.099 1.00 1.44 H new ATOM 0 HB3 GLU A 52 -4.222 25.022 -6.558 1.00 1.44 H new ATOM 0 HG2 GLU A 52 -4.376 26.716 -4.867 1.00 1.39 H new ATOM 0 HG3 GLU A 52 -5.992 26.104 -5.159 1.00 1.39 H new ATOM 803 N VAL A 53 -7.348 23.931 -7.035 1.00 1.55 N ATOM 804 CA VAL A 53 -8.091 24.226 -8.278 1.00 1.70 C ATOM 805 C VAL A 53 -8.959 25.465 -7.997 1.00 1.82 C ATOM 806 O VAL A 53 -9.530 25.546 -6.919 1.00 1.88 O ATOM 807 CB VAL A 53 -8.988 23.040 -8.724 1.00 1.81 C ATOM 808 CG1 VAL A 53 -9.605 23.319 -10.105 1.00 2.54 C ATOM 809 CG2 VAL A 53 -8.225 21.703 -8.817 1.00 2.49 C ATOM 0 H VAL A 53 -7.899 24.138 -6.202 1.00 1.55 H new ATOM 0 HA VAL A 53 -7.386 24.401 -9.091 1.00 1.70 H new ATOM 0 HB VAL A 53 -9.756 22.950 -7.956 1.00 1.81 H new ATOM 0 HG11 VAL A 53 -10.230 22.477 -10.401 1.00 2.54 H new ATOM 0 HG12 VAL A 53 -10.213 24.223 -10.056 1.00 2.54 H new ATOM 0 HG13 VAL A 53 -8.810 23.456 -10.838 1.00 2.54 H new ATOM 0 HG21 VAL A 53 -8.909 20.915 -9.133 1.00 2.49 H new ATOM 0 HG22 VAL A 53 -7.417 21.795 -9.542 1.00 2.49 H new ATOM 0 HG23 VAL A 53 -7.810 21.452 -7.841 1.00 2.49 H new ATOM 819 N GLU A 54 -8.976 26.463 -8.896 1.00 2.09 N ATOM 820 CA GLU A 54 -9.619 27.796 -8.731 1.00 2.22 C ATOM 821 C GLU A 54 -8.946 28.713 -7.684 1.00 2.35 C ATOM 822 O GLU A 54 -9.416 29.816 -7.420 1.00 2.70 O ATOM 823 CB GLU A 54 -11.118 27.707 -8.371 1.00 2.12 C ATOM 824 CG GLU A 54 -12.061 26.924 -9.290 1.00 2.40 C ATOM 825 CD GLU A 54 -13.359 26.655 -8.526 1.00 2.43 C ATOM 826 OE1 GLU A 54 -14.110 27.606 -8.206 1.00 2.83 O ATOM 827 OE2 GLU A 54 -13.544 25.510 -8.056 1.00 3.00 O ATOM 0 H GLU A 54 -8.522 26.367 -9.805 1.00 2.09 H new ATOM 0 HA GLU A 54 -9.491 28.240 -9.718 1.00 2.22 H new ATOM 0 HB2 GLU A 54 -11.191 27.269 -7.376 1.00 2.12 H new ATOM 0 HB3 GLU A 54 -11.500 28.726 -8.300 1.00 2.12 H new ATOM 0 HG2 GLU A 54 -12.265 27.492 -10.198 1.00 2.40 H new ATOM 0 HG3 GLU A 54 -11.600 25.986 -9.598 1.00 2.40 H new ATOM 834 N GLY A 55 -7.866 28.241 -7.061 1.00 2.20 N ATOM 835 CA GLY A 55 -7.308 28.804 -5.816 1.00 2.26 C ATOM 836 C GLY A 55 -7.980 28.267 -4.544 1.00 2.08 C ATOM 837 O GLY A 55 -7.870 28.871 -3.481 1.00 2.20 O ATOM 0 H GLY A 55 -7.339 27.440 -7.409 1.00 2.20 H new ATOM 0 HA2 GLY A 55 -6.241 28.584 -5.774 1.00 2.26 H new ATOM 0 HA3 GLY A 55 -7.409 29.889 -5.840 1.00 2.26 H new ATOM 841 N LYS A 56 -8.681 27.133 -4.648 1.00 1.89 N ATOM 842 CA LYS A 56 -9.369 26.411 -3.589 1.00 1.82 C ATOM 843 C LYS A 56 -8.774 24.995 -3.505 1.00 1.71 C ATOM 844 O LYS A 56 -8.535 24.313 -4.506 1.00 1.64 O ATOM 845 CB LYS A 56 -10.880 26.355 -3.900 1.00 1.96 C ATOM 846 CG LYS A 56 -11.594 27.720 -3.803 1.00 2.06 C ATOM 847 CD LYS A 56 -12.806 27.830 -4.743 1.00 2.59 C ATOM 848 CE LYS A 56 -13.874 26.743 -4.540 1.00 2.41 C ATOM 849 NZ LYS A 56 -14.625 26.488 -5.796 1.00 2.81 N ATOM 0 H LYS A 56 -8.786 26.665 -5.548 1.00 1.89 H new ATOM 0 HA LYS A 56 -9.239 26.915 -2.631 1.00 1.82 H new ATOM 0 HB2 LYS A 56 -11.019 25.955 -4.904 1.00 1.96 H new ATOM 0 HB3 LYS A 56 -11.356 25.658 -3.211 1.00 1.96 H new ATOM 0 HG2 LYS A 56 -11.922 27.881 -2.776 1.00 2.06 H new ATOM 0 HG3 LYS A 56 -10.884 28.513 -4.039 1.00 2.06 H new ATOM 0 HD2 LYS A 56 -13.270 28.807 -4.604 1.00 2.59 H new ATOM 0 HD3 LYS A 56 -12.455 27.788 -5.774 1.00 2.59 H new ATOM 0 HE2 LYS A 56 -13.399 25.821 -4.203 1.00 2.41 H new ATOM 0 HE3 LYS A 56 -14.565 27.051 -3.756 1.00 2.41 H new ATOM 0 HZ1 LYS A 56 -15.607 26.234 -5.568 1.00 2.81 H new ATOM 0 HZ2 LYS A 56 -14.617 27.345 -6.385 1.00 2.81 H new ATOM 0 HZ3 LYS A 56 -14.177 25.706 -6.315 1.00 2.81 H new ATOM 863 N LYS A 57 -8.506 24.557 -2.285 1.00 1.74 N ATOM 864 CA LYS A 57 -7.827 23.307 -1.963 1.00 1.72 C ATOM 865 C LYS A 57 -8.760 22.095 -1.872 1.00 1.70 C ATOM 866 O LYS A 57 -9.866 22.166 -1.349 1.00 2.02 O ATOM 867 CB LYS A 57 -6.940 23.471 -0.717 1.00 1.79 C ATOM 868 CG LYS A 57 -7.541 24.202 0.498 1.00 2.15 C ATOM 869 CD LYS A 57 -6.453 24.772 1.430 1.00 2.20 C ATOM 870 CE LYS A 57 -5.892 26.145 0.998 1.00 2.94 C ATOM 871 NZ LYS A 57 -4.979 26.093 -0.173 1.00 3.83 N ATOM 0 H LYS A 57 -8.767 25.086 -1.453 1.00 1.74 H new ATOM 0 HA LYS A 57 -7.178 23.082 -2.809 1.00 1.72 H new ATOM 0 HB2 LYS A 57 -6.631 22.477 -0.392 1.00 1.79 H new ATOM 0 HB3 LYS A 57 -6.037 24.003 -1.016 1.00 1.79 H new ATOM 0 HG2 LYS A 57 -8.182 25.013 0.152 1.00 2.15 H new ATOM 0 HG3 LYS A 57 -8.173 23.513 1.058 1.00 2.15 H new ATOM 0 HD2 LYS A 57 -6.865 24.862 2.435 1.00 2.20 H new ATOM 0 HD3 LYS A 57 -5.630 24.059 1.485 1.00 2.20 H new ATOM 0 HE2 LYS A 57 -6.726 26.807 0.765 1.00 2.94 H new ATOM 0 HE3 LYS A 57 -5.359 26.587 1.840 1.00 2.94 H new ATOM 0 HZ1 LYS A 57 -4.271 26.851 -0.095 1.00 3.83 H new ATOM 0 HZ2 LYS A 57 -4.498 25.171 -0.198 1.00 3.83 H new ATOM 0 HZ3 LYS A 57 -5.528 26.221 -1.047 1.00 3.83 H new ATOM 885 N VAL A 58 -8.232 20.980 -2.354 1.00 1.39 N ATOM 886 CA VAL A 58 -8.785 19.616 -2.363 1.00 1.26 C ATOM 887 C VAL A 58 -7.623 18.649 -2.056 1.00 0.95 C ATOM 888 O VAL A 58 -6.458 19.059 -2.072 1.00 0.96 O ATOM 889 CB VAL A 58 -9.438 19.278 -3.739 1.00 1.41 C ATOM 890 CG1 VAL A 58 -10.424 18.098 -3.638 1.00 2.71 C ATOM 891 CG2 VAL A 58 -10.207 20.459 -4.368 1.00 2.13 C ATOM 0 H VAL A 58 -7.313 21.000 -2.795 1.00 1.39 H new ATOM 0 HA VAL A 58 -9.571 19.524 -1.614 1.00 1.26 H new ATOM 0 HB VAL A 58 -8.590 19.023 -4.375 1.00 1.41 H new ATOM 0 HG11 VAL A 58 -10.854 17.898 -4.619 1.00 2.71 H new ATOM 0 HG12 VAL A 58 -9.896 17.212 -3.286 1.00 2.71 H new ATOM 0 HG13 VAL A 58 -11.220 18.348 -2.937 1.00 2.71 H new ATOM 0 HG21 VAL A 58 -10.633 20.149 -5.322 1.00 2.13 H new ATOM 0 HG22 VAL A 58 -11.008 20.770 -3.697 1.00 2.13 H new ATOM 0 HG23 VAL A 58 -9.524 21.293 -4.530 1.00 2.13 H new ATOM 901 N MET A 59 -7.902 17.369 -1.800 1.00 0.83 N ATOM 902 CA MET A 59 -6.893 16.299 -1.793 1.00 0.68 C ATOM 903 C MET A 59 -7.194 15.263 -2.880 1.00 0.70 C ATOM 904 O MET A 59 -8.354 14.936 -3.116 1.00 1.09 O ATOM 905 CB MET A 59 -6.795 15.632 -0.415 1.00 0.66 C ATOM 906 CG MET A 59 -6.208 16.597 0.621 1.00 0.79 C ATOM 907 SD MET A 59 -5.690 15.802 2.162 1.00 1.74 S ATOM 908 CE MET A 59 -4.043 15.240 1.655 1.00 3.33 C ATOM 0 H MET A 59 -8.844 17.039 -1.589 1.00 0.83 H new ATOM 0 HA MET A 59 -5.926 16.752 -2.010 1.00 0.68 H new ATOM 0 HB2 MET A 59 -7.784 15.305 -0.094 1.00 0.66 H new ATOM 0 HB3 MET A 59 -6.171 14.741 -0.482 1.00 0.66 H new ATOM 0 HG2 MET A 59 -5.351 17.107 0.182 1.00 0.79 H new ATOM 0 HG3 MET A 59 -6.950 17.362 0.851 1.00 0.79 H new ATOM 0 HE1 MET A 59 -3.564 14.721 2.485 1.00 3.33 H new ATOM 0 HE2 MET A 59 -4.135 14.561 0.807 1.00 3.33 H new ATOM 0 HE3 MET A 59 -3.438 16.100 1.367 1.00 3.33 H new ATOM 918 N GLY A 60 -6.150 14.779 -3.558 1.00 0.54 N ATOM 919 CA GLY A 60 -6.253 13.859 -4.697 1.00 0.57 C ATOM 920 C GLY A 60 -5.389 12.606 -4.557 1.00 0.48 C ATOM 921 O GLY A 60 -4.697 12.409 -3.562 1.00 0.48 O ATOM 0 H GLY A 60 -5.187 15.021 -3.326 1.00 0.54 H new ATOM 0 HA2 GLY A 60 -7.294 13.560 -4.817 1.00 0.57 H new ATOM 0 HA3 GLY A 60 -5.966 14.387 -5.606 1.00 0.57 H new ATOM 925 N MET A 61 -5.451 11.745 -5.574 1.00 0.47 N ATOM 926 CA MET A 61 -4.791 10.438 -5.655 1.00 0.46 C ATOM 927 C MET A 61 -4.542 10.093 -7.125 1.00 0.47 C ATOM 928 O MET A 61 -5.333 10.448 -7.998 1.00 0.52 O ATOM 929 CB MET A 61 -5.686 9.417 -4.925 1.00 0.53 C ATOM 930 CG MET A 61 -5.410 7.925 -5.188 1.00 0.54 C ATOM 931 SD MET A 61 -6.704 6.747 -4.641 1.00 0.50 S ATOM 932 CE MET A 61 -7.325 7.558 -3.149 1.00 0.59 C ATOM 0 H MET A 61 -5.994 11.952 -6.412 1.00 0.47 H new ATOM 0 HA MET A 61 -3.815 10.434 -5.170 1.00 0.46 H new ATOM 0 HB2 MET A 61 -5.595 9.594 -3.853 1.00 0.53 H new ATOM 0 HB3 MET A 61 -6.722 9.622 -5.195 1.00 0.53 H new ATOM 0 HG2 MET A 61 -5.256 7.790 -6.259 1.00 0.54 H new ATOM 0 HG3 MET A 61 -4.475 7.659 -4.695 1.00 0.54 H new ATOM 0 HE1 MET A 61 -7.973 6.871 -2.604 1.00 0.59 H new ATOM 0 HE2 MET A 61 -6.486 7.845 -2.515 1.00 0.59 H new ATOM 0 HE3 MET A 61 -7.891 8.447 -3.427 1.00 0.59 H new ATOM 942 N ARG A 62 -3.420 9.423 -7.380 1.00 0.47 N ATOM 943 CA ARG A 62 -2.957 8.988 -8.701 1.00 0.52 C ATOM 944 C ARG A 62 -2.218 7.651 -8.554 1.00 0.52 C ATOM 945 O ARG A 62 -1.718 7.376 -7.459 1.00 0.53 O ATOM 946 CB ARG A 62 -1.985 10.033 -9.280 1.00 0.66 C ATOM 947 CG ARG A 62 -2.655 11.281 -9.875 1.00 1.30 C ATOM 948 CD ARG A 62 -1.666 12.115 -10.712 1.00 1.62 C ATOM 949 NE ARG A 62 -0.423 12.411 -9.976 1.00 2.78 N ATOM 950 CZ ARG A 62 0.795 12.636 -10.448 1.00 3.87 C ATOM 951 NH1 ARG A 62 1.024 12.874 -11.723 1.00 3.93 N ATOM 952 NH2 ARG A 62 1.804 12.616 -9.607 1.00 5.15 N ATOM 0 H ARG A 62 -2.776 9.154 -6.636 1.00 0.47 H new ATOM 0 HA ARG A 62 -3.812 8.876 -9.368 1.00 0.52 H new ATOM 0 HB2 ARG A 62 -1.301 10.347 -8.492 1.00 0.66 H new ATOM 0 HB3 ARG A 62 -1.383 9.558 -10.054 1.00 0.66 H new ATOM 0 HG2 ARG A 62 -3.496 10.980 -10.499 1.00 1.30 H new ATOM 0 HG3 ARG A 62 -3.059 11.895 -9.071 1.00 1.30 H new ATOM 0 HD2 ARG A 62 -1.424 11.576 -11.628 1.00 1.62 H new ATOM 0 HD3 ARG A 62 -2.142 13.050 -11.008 1.00 1.62 H new ATOM 0 HE ARG A 62 -0.513 12.448 -8.961 1.00 2.78 H new ATOM 0 HH11 ARG A 62 0.249 12.890 -12.386 1.00 3.93 H new ATOM 0 HH12 ARG A 62 1.976 13.043 -12.047 1.00 3.93 H new ATOM 0 HH21 ARG A 62 1.640 12.431 -8.618 1.00 5.15 H new ATOM 0 HH22 ARG A 62 2.752 12.786 -9.943 1.00 5.15 H new ATOM 966 N PRO A 63 -2.107 6.828 -9.610 1.00 0.53 N ATOM 967 CA PRO A 63 -1.183 5.709 -9.616 1.00 0.50 C ATOM 968 C PRO A 63 0.255 6.197 -9.805 1.00 0.47 C ATOM 969 O PRO A 63 0.471 7.278 -10.357 1.00 0.49 O ATOM 970 CB PRO A 63 -1.655 4.807 -10.752 1.00 0.54 C ATOM 971 CG PRO A 63 -2.198 5.813 -11.769 1.00 0.59 C ATOM 972 CD PRO A 63 -2.802 6.914 -10.889 1.00 0.58 C ATOM 0 HA PRO A 63 -1.176 5.164 -8.672 1.00 0.50 H new ATOM 0 HB2 PRO A 63 -0.839 4.213 -11.164 1.00 0.54 H new ATOM 0 HB3 PRO A 63 -2.424 4.108 -10.423 1.00 0.54 H new ATOM 0 HG2 PRO A 63 -1.408 6.201 -12.412 1.00 0.59 H new ATOM 0 HG3 PRO A 63 -2.947 5.362 -12.420 1.00 0.59 H new ATOM 0 HD2 PRO A 63 -2.666 7.896 -11.343 1.00 0.58 H new ATOM 0 HD3 PRO A 63 -3.875 6.768 -10.762 1.00 0.58 H new ATOM 980 N VAL A 64 1.225 5.394 -9.358 1.00 0.46 N ATOM 981 CA VAL A 64 2.672 5.674 -9.473 1.00 0.45 C ATOM 982 C VAL A 64 3.442 4.394 -9.846 1.00 0.44 C ATOM 983 O VAL A 64 2.955 3.303 -9.541 1.00 0.47 O ATOM 984 CB VAL A 64 3.250 6.320 -8.189 1.00 0.46 C ATOM 985 CG1 VAL A 64 2.678 7.725 -7.975 1.00 0.57 C ATOM 986 CG2 VAL A 64 3.058 5.477 -6.920 1.00 0.56 C ATOM 0 H VAL A 64 1.028 4.507 -8.894 1.00 0.46 H new ATOM 0 HA VAL A 64 2.799 6.402 -10.274 1.00 0.45 H new ATOM 0 HB VAL A 64 4.325 6.380 -8.358 1.00 0.46 H new ATOM 0 HG11 VAL A 64 3.100 8.155 -7.067 1.00 0.57 H new ATOM 0 HG12 VAL A 64 2.932 8.355 -8.827 1.00 0.57 H new ATOM 0 HG13 VAL A 64 1.594 7.666 -7.878 1.00 0.57 H new ATOM 0 HG21 VAL A 64 3.490 6.000 -6.067 1.00 0.56 H new ATOM 0 HG22 VAL A 64 1.994 5.318 -6.747 1.00 0.56 H new ATOM 0 HG23 VAL A 64 3.553 4.514 -7.044 1.00 0.56 H new ATOM 996 N PRO A 65 4.602 4.492 -10.532 1.00 0.45 N ATOM 997 CA PRO A 65 5.267 3.338 -11.135 1.00 0.47 C ATOM 998 C PRO A 65 5.968 2.470 -10.096 1.00 0.46 C ATOM 999 O PRO A 65 6.063 1.264 -10.301 1.00 0.50 O ATOM 1000 CB PRO A 65 6.247 3.923 -12.156 1.00 0.53 C ATOM 1001 CG PRO A 65 6.631 5.267 -11.545 1.00 0.51 C ATOM 1002 CD PRO A 65 5.341 5.710 -10.855 1.00 0.48 C ATOM 0 HA PRO A 65 4.550 2.669 -11.610 1.00 0.47 H new ATOM 0 HB2 PRO A 65 7.117 3.280 -12.293 1.00 0.53 H new ATOM 0 HB3 PRO A 65 5.783 4.044 -13.135 1.00 0.53 H new ATOM 0 HG2 PRO A 65 7.454 5.169 -10.837 1.00 0.51 H new ATOM 0 HG3 PRO A 65 6.948 5.981 -12.305 1.00 0.51 H new ATOM 0 HD2 PRO A 65 5.560 6.281 -9.953 1.00 0.48 H new ATOM 0 HD3 PRO A 65 4.755 6.357 -11.507 1.00 0.48 H new ATOM 1010 N PHE A 66 6.424 3.070 -8.991 1.00 0.44 N ATOM 1011 CA PHE A 66 7.108 2.402 -7.879 1.00 0.44 C ATOM 1012 C PHE A 66 7.374 3.363 -6.711 1.00 0.45 C ATOM 1013 O PHE A 66 7.348 4.586 -6.871 1.00 0.47 O ATOM 1014 CB PHE A 66 8.427 1.761 -8.341 1.00 0.48 C ATOM 1015 CG PHE A 66 9.439 2.766 -8.820 1.00 0.50 C ATOM 1016 CD1 PHE A 66 10.261 3.415 -7.887 1.00 2.06 C ATOM 1017 CD2 PHE A 66 9.487 3.117 -10.174 1.00 1.61 C ATOM 1018 CE1 PHE A 66 11.118 4.447 -8.290 1.00 2.09 C ATOM 1019 CE2 PHE A 66 10.377 4.125 -10.595 1.00 1.60 C ATOM 1020 CZ PHE A 66 11.187 4.795 -9.652 1.00 0.57 C ATOM 0 H PHE A 66 6.322 4.074 -8.841 1.00 0.44 H new ATOM 0 HA PHE A 66 6.440 1.616 -7.526 1.00 0.44 H new ATOM 0 HB2 PHE A 66 8.854 1.190 -7.517 1.00 0.48 H new ATOM 0 HB3 PHE A 66 8.218 1.054 -9.144 1.00 0.48 H new ATOM 0 HD1 PHE A 66 10.233 3.117 -6.849 1.00 2.06 H new ATOM 0 HD2 PHE A 66 8.848 2.620 -10.889 1.00 1.61 H new ATOM 0 HE1 PHE A 66 11.720 4.971 -7.562 1.00 2.09 H new ATOM 0 HE2 PHE A 66 10.440 4.386 -11.641 1.00 1.60 H new ATOM 0 HZ PHE A 66 11.860 5.575 -9.976 1.00 0.57 H new ATOM 1030 N LEU A 67 7.711 2.780 -5.556 1.00 0.48 N ATOM 1031 CA LEU A 67 8.311 3.466 -4.410 1.00 0.54 C ATOM 1032 C LEU A 67 9.776 3.043 -4.241 1.00 0.60 C ATOM 1033 O LEU A 67 10.148 1.935 -4.617 1.00 0.61 O ATOM 1034 CB LEU A 67 7.542 3.131 -3.121 1.00 0.56 C ATOM 1035 CG LEU A 67 6.013 3.305 -3.157 1.00 0.52 C ATOM 1036 CD1 LEU A 67 5.485 3.131 -1.734 1.00 0.60 C ATOM 1037 CD2 LEU A 67 5.551 4.658 -3.701 1.00 0.54 C ATOM 0 H LEU A 67 7.568 1.784 -5.389 1.00 0.48 H new ATOM 0 HA LEU A 67 8.261 4.539 -4.595 1.00 0.54 H new ATOM 0 HB2 LEU A 67 7.760 2.096 -2.855 1.00 0.56 H new ATOM 0 HB3 LEU A 67 7.936 3.756 -2.319 1.00 0.56 H new ATOM 0 HG LEU A 67 5.618 2.554 -3.841 1.00 0.52 H new ATOM 0 HD11 LEU A 67 4.401 3.250 -1.731 1.00 0.60 H new ATOM 0 HD12 LEU A 67 5.742 2.136 -1.370 1.00 0.60 H new ATOM 0 HD13 LEU A 67 5.934 3.883 -1.085 1.00 0.60 H new ATOM 0 HD21 LEU A 67 4.462 4.701 -3.693 1.00 0.54 H new ATOM 0 HD22 LEU A 67 5.950 5.457 -3.076 1.00 0.54 H new ATOM 0 HD23 LEU A 67 5.912 4.782 -4.722 1.00 0.54 H new ATOM 1049 N GLU A 68 10.585 3.910 -3.636 1.00 0.68 N ATOM 1050 CA GLU A 68 11.997 3.662 -3.316 1.00 0.78 C ATOM 1051 C GLU A 68 12.187 3.607 -1.798 1.00 0.81 C ATOM 1052 O GLU A 68 11.519 4.349 -1.077 1.00 0.91 O ATOM 1053 CB GLU A 68 12.847 4.819 -3.873 1.00 1.05 C ATOM 1054 CG GLU A 68 14.362 4.565 -3.788 1.00 1.01 C ATOM 1055 CD GLU A 68 14.871 3.674 -4.932 1.00 0.93 C ATOM 1056 OE1 GLU A 68 14.060 2.954 -5.562 1.00 2.05 O ATOM 1057 OE2 GLU A 68 16.069 3.768 -5.275 1.00 1.78 O ATOM 0 H GLU A 68 10.270 4.835 -3.344 1.00 0.68 H new ATOM 0 HA GLU A 68 12.303 2.714 -3.758 1.00 0.78 H new ATOM 0 HB2 GLU A 68 12.574 4.992 -4.914 1.00 1.05 H new ATOM 0 HB3 GLU A 68 12.608 5.731 -3.325 1.00 1.05 H new ATOM 0 HG2 GLU A 68 14.890 5.519 -3.811 1.00 1.01 H new ATOM 0 HG3 GLU A 68 14.596 4.095 -2.833 1.00 1.01 H new ATOM 1064 N VAL A 69 13.133 2.786 -1.327 1.00 0.80 N ATOM 1065 CA VAL A 69 13.594 2.785 0.063 1.00 0.84 C ATOM 1066 C VAL A 69 15.122 2.576 0.165 1.00 0.89 C ATOM 1067 O VAL A 69 15.664 1.784 -0.604 1.00 0.92 O ATOM 1068 CB VAL A 69 12.839 1.701 0.884 1.00 0.75 C ATOM 1069 CG1 VAL A 69 13.149 1.773 2.388 1.00 0.87 C ATOM 1070 CG2 VAL A 69 11.308 1.748 0.716 1.00 0.79 C ATOM 0 H VAL A 69 13.605 2.095 -1.910 1.00 0.80 H new ATOM 0 HA VAL A 69 13.372 3.766 0.482 1.00 0.84 H new ATOM 0 HB VAL A 69 13.210 0.763 0.470 1.00 0.75 H new ATOM 0 HG11 VAL A 69 12.595 0.994 2.911 1.00 0.87 H new ATOM 0 HG12 VAL A 69 14.218 1.628 2.547 1.00 0.87 H new ATOM 0 HG13 VAL A 69 12.855 2.749 2.774 1.00 0.87 H new ATOM 0 HG21 VAL A 69 10.852 0.963 1.318 1.00 0.79 H new ATOM 0 HG22 VAL A 69 10.936 2.719 1.043 1.00 0.79 H new ATOM 0 HG23 VAL A 69 11.052 1.596 -0.333 1.00 0.79 H new ATOM 1080 N PRO A 70 15.837 3.279 1.078 1.00 1.05 N ATOM 1081 CA PRO A 70 17.277 3.125 1.307 1.00 1.14 C ATOM 1082 C PRO A 70 17.606 2.026 2.345 1.00 1.20 C ATOM 1083 O PRO A 70 16.783 1.746 3.217 1.00 1.32 O ATOM 1084 CB PRO A 70 17.737 4.497 1.810 1.00 1.22 C ATOM 1085 CG PRO A 70 16.535 4.978 2.619 1.00 1.21 C ATOM 1086 CD PRO A 70 15.348 4.433 1.828 1.00 1.17 C ATOM 0 HA PRO A 70 17.785 2.811 0.395 1.00 1.14 H new ATOM 0 HB2 PRO A 70 18.635 4.423 2.424 1.00 1.22 H new ATOM 0 HB3 PRO A 70 17.968 5.173 0.987 1.00 1.22 H new ATOM 0 HG2 PRO A 70 16.553 4.591 3.638 1.00 1.21 H new ATOM 0 HG3 PRO A 70 16.506 6.065 2.692 1.00 1.21 H new ATOM 0 HD2 PRO A 70 14.537 4.144 2.497 1.00 1.17 H new ATOM 0 HD3 PRO A 70 14.951 5.192 1.154 1.00 1.17 H new ATOM 1094 N PRO A 71 18.819 1.434 2.308 1.00 1.18 N ATOM 1095 CA PRO A 71 19.202 0.301 3.150 1.00 1.13 C ATOM 1096 C PRO A 71 19.231 0.626 4.644 1.00 1.13 C ATOM 1097 O PRO A 71 19.605 1.722 5.056 1.00 1.19 O ATOM 1098 CB PRO A 71 20.563 -0.168 2.636 1.00 1.10 C ATOM 1099 CG PRO A 71 21.149 1.077 1.978 1.00 1.18 C ATOM 1100 CD PRO A 71 19.916 1.771 1.411 1.00 1.20 C ATOM 0 HA PRO A 71 18.452 -0.487 3.075 1.00 1.13 H new ATOM 0 HB2 PRO A 71 21.196 -0.527 3.448 1.00 1.10 H new ATOM 0 HB3 PRO A 71 20.462 -0.987 1.924 1.00 1.10 H new ATOM 0 HG2 PRO A 71 21.672 1.706 2.698 1.00 1.18 H new ATOM 0 HG3 PRO A 71 21.865 0.823 1.197 1.00 1.18 H new ATOM 0 HD2 PRO A 71 20.063 2.850 1.362 1.00 1.20 H new ATOM 0 HD3 PRO A 71 19.709 1.431 0.396 1.00 1.20 H new ATOM 1108 N LYS A 72 18.806 -0.354 5.452 1.00 1.12 N ATOM 1109 CA LYS A 72 18.698 -0.329 6.923 1.00 1.18 C ATOM 1110 C LYS A 72 17.621 0.631 7.462 1.00 1.30 C ATOM 1111 O LYS A 72 17.287 0.581 8.648 1.00 1.44 O ATOM 1112 CB LYS A 72 20.075 -0.079 7.575 1.00 1.25 C ATOM 1113 CG LYS A 72 21.218 -0.939 7.011 1.00 1.26 C ATOM 1114 CD LYS A 72 20.969 -2.452 7.106 1.00 1.27 C ATOM 1115 CE LYS A 72 22.107 -3.176 6.384 1.00 1.26 C ATOM 1116 NZ LYS A 72 21.944 -4.647 6.386 1.00 1.87 N ATOM 0 H LYS A 72 18.506 -1.251 5.071 1.00 1.12 H new ATOM 0 HA LYS A 72 18.355 -1.322 7.214 1.00 1.18 H new ATOM 0 HB2 LYS A 72 20.335 0.972 7.452 1.00 1.25 H new ATOM 0 HB3 LYS A 72 19.994 -0.264 8.646 1.00 1.25 H new ATOM 0 HG2 LYS A 72 21.377 -0.673 5.966 1.00 1.26 H new ATOM 0 HG3 LYS A 72 22.137 -0.698 7.545 1.00 1.26 H new ATOM 0 HD2 LYS A 72 20.923 -2.764 8.149 1.00 1.27 H new ATOM 0 HD3 LYS A 72 20.010 -2.707 6.654 1.00 1.27 H new ATOM 0 HE2 LYS A 72 22.161 -2.822 5.354 1.00 1.26 H new ATOM 0 HE3 LYS A 72 23.054 -2.919 6.859 1.00 1.26 H new ATOM 0 HZ1 LYS A 72 22.209 -5.027 5.455 1.00 1.87 H new ATOM 0 HZ2 LYS A 72 22.556 -5.063 7.117 1.00 1.87 H new ATOM 0 HZ3 LYS A 72 20.952 -4.886 6.587 1.00 1.87 H new ATOM 1130 N GLY A 73 17.044 1.471 6.602 1.00 1.38 N ATOM 1131 CA GLY A 73 15.906 2.334 6.915 1.00 1.54 C ATOM 1132 C GLY A 73 14.582 1.570 6.881 1.00 1.38 C ATOM 1133 O GLY A 73 14.477 0.510 6.260 1.00 1.15 O ATOM 0 H GLY A 73 17.366 1.572 5.639 1.00 1.38 H new ATOM 0 HA2 GLY A 73 16.045 2.774 7.902 1.00 1.54 H new ATOM 0 HA3 GLY A 73 15.868 3.157 6.202 1.00 1.54 H new ATOM 1137 N ARG A 74 13.565 2.153 7.525 1.00 1.61 N ATOM 1138 CA ARG A 74 12.157 1.835 7.279 1.00 1.38 C ATOM 1139 C ARG A 74 11.444 3.079 6.733 1.00 1.75 C ATOM 1140 O ARG A 74 11.731 4.183 7.187 1.00 2.28 O ATOM 1141 CB ARG A 74 11.458 1.263 8.531 1.00 1.58 C ATOM 1142 CG ARG A 74 11.233 2.268 9.677 1.00 2.01 C ATOM 1143 CD ARG A 74 10.253 1.787 10.724 1.00 2.09 C ATOM 1144 NE ARG A 74 10.190 2.723 11.858 1.00 3.12 N ATOM 1145 CZ ARG A 74 9.505 2.540 12.980 1.00 3.93 C ATOM 1146 NH1 ARG A 74 8.745 1.492 13.198 1.00 4.14 N ATOM 1147 NH2 ARG A 74 9.576 3.448 13.929 1.00 5.23 N ATOM 0 H ARG A 74 13.700 2.868 8.240 1.00 1.61 H new ATOM 0 HA ARG A 74 12.104 1.045 6.530 1.00 1.38 H new ATOM 0 HB2 ARG A 74 10.492 0.855 8.233 1.00 1.58 H new ATOM 0 HB3 ARG A 74 12.052 0.432 8.910 1.00 1.58 H new ATOM 0 HG2 ARG A 74 12.189 2.479 10.156 1.00 2.01 H new ATOM 0 HG3 ARG A 74 10.872 3.208 9.259 1.00 2.01 H new ATOM 0 HD2 ARG A 74 9.263 1.682 10.280 1.00 2.09 H new ATOM 0 HD3 ARG A 74 10.550 0.800 11.079 1.00 2.09 H new ATOM 0 HE ARG A 74 10.720 3.590 11.774 1.00 3.12 H new ATOM 0 HH11 ARG A 74 8.659 0.767 12.486 1.00 4.14 H new ATOM 0 HH12 ARG A 74 8.240 1.403 14.080 1.00 4.14 H new ATOM 0 HH21 ARG A 74 10.152 4.279 13.797 1.00 5.23 H new ATOM 0 HH22 ARG A 74 9.055 3.321 14.797 1.00 5.23 H new ATOM 1161 N VAL A 75 10.544 2.902 5.772 1.00 1.73 N ATOM 1162 CA VAL A 75 9.811 3.957 5.036 1.00 2.30 C ATOM 1163 C VAL A 75 8.442 3.381 4.681 1.00 1.81 C ATOM 1164 O VAL A 75 8.366 2.185 4.431 1.00 1.79 O ATOM 1165 CB VAL A 75 10.552 4.358 3.733 1.00 3.10 C ATOM 1166 CG1 VAL A 75 9.746 5.334 2.855 1.00 3.68 C ATOM 1167 CG2 VAL A 75 11.915 5.014 4.028 1.00 3.71 C ATOM 0 H VAL A 75 10.282 1.967 5.458 1.00 1.73 H new ATOM 0 HA VAL A 75 9.729 4.851 5.654 1.00 2.30 H new ATOM 0 HB VAL A 75 10.688 3.421 3.193 1.00 3.10 H new ATOM 0 HG11 VAL A 75 10.319 5.575 1.959 1.00 3.68 H new ATOM 0 HG12 VAL A 75 8.802 4.871 2.568 1.00 3.68 H new ATOM 0 HG13 VAL A 75 9.546 6.247 3.415 1.00 3.68 H new ATOM 0 HG21 VAL A 75 12.402 5.280 3.090 1.00 3.71 H new ATOM 0 HG22 VAL A 75 11.764 5.913 4.626 1.00 3.71 H new ATOM 0 HG23 VAL A 75 12.544 4.314 4.577 1.00 3.71 H new ATOM 1177 N GLU A 76 7.361 4.161 4.692 1.00 1.70 N ATOM 1178 CA GLU A 76 5.992 3.626 4.658 1.00 1.33 C ATOM 1179 C GLU A 76 5.160 4.064 3.443 1.00 1.19 C ATOM 1180 O GLU A 76 5.240 5.193 2.952 1.00 1.40 O ATOM 1181 CB GLU A 76 5.216 3.925 5.967 1.00 1.55 C ATOM 1182 CG GLU A 76 5.945 4.688 7.083 1.00 2.14 C ATOM 1183 CD GLU A 76 6.048 6.181 6.771 1.00 3.02 C ATOM 1184 OE1 GLU A 76 6.958 6.580 6.009 1.00 4.02 O ATOM 1185 OE2 GLU A 76 5.195 6.976 7.229 1.00 3.69 O ATOM 0 H GLU A 76 7.405 5.180 4.725 1.00 1.70 H new ATOM 0 HA GLU A 76 6.134 2.550 4.560 1.00 1.33 H new ATOM 0 HB2 GLU A 76 4.324 4.493 5.703 1.00 1.55 H new ATOM 0 HB3 GLU A 76 4.879 2.974 6.379 1.00 1.55 H new ATOM 0 HG2 GLU A 76 5.415 4.549 8.025 1.00 2.14 H new ATOM 0 HG3 GLU A 76 6.945 4.274 7.215 1.00 2.14 H new ATOM 1192 N LEU A 77 4.233 3.177 3.062 1.00 0.92 N ATOM 1193 CA LEU A 77 2.972 3.508 2.402 1.00 0.75 C ATOM 1194 C LEU A 77 2.121 4.282 3.413 1.00 0.93 C ATOM 1195 O LEU A 77 1.243 3.742 4.088 1.00 1.89 O ATOM 1196 CB LEU A 77 2.271 2.233 1.908 1.00 0.59 C ATOM 1197 CG LEU A 77 2.842 1.655 0.603 1.00 0.67 C ATOM 1198 CD1 LEU A 77 4.232 1.026 0.769 1.00 0.66 C ATOM 1199 CD2 LEU A 77 1.901 0.573 0.076 1.00 1.13 C ATOM 0 H LEU A 77 4.348 2.175 3.212 1.00 0.92 H new ATOM 0 HA LEU A 77 3.139 4.124 1.518 1.00 0.75 H new ATOM 0 HB2 LEU A 77 2.337 1.473 2.686 1.00 0.59 H new ATOM 0 HB3 LEU A 77 1.213 2.449 1.762 1.00 0.59 H new ATOM 0 HG LEU A 77 2.934 2.493 -0.088 1.00 0.67 H new ATOM 0 HD11 LEU A 77 4.573 0.639 -0.191 1.00 0.66 H new ATOM 0 HD12 LEU A 77 4.933 1.781 1.125 1.00 0.66 H new ATOM 0 HD13 LEU A 77 4.179 0.211 1.491 1.00 0.66 H new ATOM 0 HD21 LEU A 77 2.303 0.161 -0.850 1.00 1.13 H new ATOM 0 HD22 LEU A 77 1.808 -0.221 0.817 1.00 1.13 H new ATOM 0 HD23 LEU A 77 0.919 1.006 -0.116 1.00 1.13 H new ATOM 1211 N LYS A 78 2.503 5.540 3.605 1.00 1.06 N ATOM 1212 CA LYS A 78 2.034 6.381 4.695 1.00 1.20 C ATOM 1213 C LYS A 78 0.591 6.864 4.456 1.00 1.11 C ATOM 1214 O LYS A 78 0.278 7.265 3.332 1.00 1.03 O ATOM 1215 CB LYS A 78 3.071 7.504 4.883 1.00 1.57 C ATOM 1216 CG LYS A 78 3.208 8.483 3.701 1.00 1.55 C ATOM 1217 CD LYS A 78 4.654 8.934 3.434 1.00 2.33 C ATOM 1218 CE LYS A 78 5.300 9.802 4.527 1.00 2.60 C ATOM 1219 NZ LYS A 78 5.888 9.012 5.638 1.00 3.16 N ATOM 0 H LYS A 78 3.165 6.013 2.990 1.00 1.06 H new ATOM 0 HA LYS A 78 1.963 5.826 5.630 1.00 1.20 H new ATOM 0 HB2 LYS A 78 2.808 8.073 5.775 1.00 1.57 H new ATOM 0 HB3 LYS A 78 4.044 7.049 5.071 1.00 1.57 H new ATOM 0 HG2 LYS A 78 2.813 8.010 2.802 1.00 1.55 H new ATOM 0 HG3 LYS A 78 2.593 9.362 3.896 1.00 1.55 H new ATOM 0 HD2 LYS A 78 5.270 8.046 3.291 1.00 2.33 H new ATOM 0 HD3 LYS A 78 4.673 9.490 2.497 1.00 2.33 H new ATOM 0 HE2 LYS A 78 6.079 10.418 4.078 1.00 2.60 H new ATOM 0 HE3 LYS A 78 4.550 10.481 4.932 1.00 2.60 H new ATOM 0 HZ1 LYS A 78 6.436 9.641 6.259 1.00 3.16 H new ATOM 0 HZ2 LYS A 78 5.126 8.563 6.186 1.00 3.16 H new ATOM 0 HZ3 LYS A 78 6.514 8.278 5.249 1.00 3.16 H new ATOM 1233 N PRO A 79 -0.270 6.919 5.497 1.00 1.31 N ATOM 1234 CA PRO A 79 -1.659 7.362 5.358 1.00 1.45 C ATOM 1235 C PRO A 79 -1.765 8.754 4.733 1.00 1.44 C ATOM 1236 O PRO A 79 -2.652 8.989 3.920 1.00 2.02 O ATOM 1237 CB PRO A 79 -2.270 7.291 6.762 1.00 1.86 C ATOM 1238 CG PRO A 79 -1.061 7.338 7.696 1.00 1.88 C ATOM 1239 CD PRO A 79 0.021 6.620 6.891 1.00 1.63 C ATOM 0 HA PRO A 79 -2.208 6.720 4.669 1.00 1.45 H new ATOM 0 HB2 PRO A 79 -2.948 8.125 6.945 1.00 1.86 H new ATOM 0 HB3 PRO A 79 -2.846 6.376 6.901 1.00 1.86 H new ATOM 0 HG2 PRO A 79 -0.774 8.362 7.934 1.00 1.88 H new ATOM 0 HG3 PRO A 79 -1.262 6.835 8.642 1.00 1.88 H new ATOM 0 HD2 PRO A 79 1.015 6.971 7.169 1.00 1.63 H new ATOM 0 HD3 PRO A 79 -0.001 5.546 7.075 1.00 1.63 H new ATOM 1247 N GLY A 80 -0.817 9.646 5.046 1.00 1.65 N ATOM 1248 CA GLY A 80 -0.763 10.992 4.473 1.00 1.76 C ATOM 1249 C GLY A 80 -0.172 11.106 3.064 1.00 1.44 C ATOM 1250 O GLY A 80 0.011 12.239 2.629 1.00 1.85 O ATOM 0 H GLY A 80 -0.064 9.451 5.706 1.00 1.65 H new ATOM 0 HA2 GLY A 80 -1.775 11.396 4.453 1.00 1.76 H new ATOM 0 HA3 GLY A 80 -0.179 11.625 5.141 1.00 1.76 H new ATOM 1254 N GLY A 81 0.144 10.011 2.343 1.00 1.06 N ATOM 1255 CA GLY A 81 0.563 10.161 0.934 1.00 0.89 C ATOM 1256 C GLY A 81 0.853 8.958 0.034 1.00 1.03 C ATOM 1257 O GLY A 81 1.005 9.168 -1.162 1.00 2.11 O ATOM 0 H GLY A 81 0.120 9.053 2.693 1.00 1.06 H new ATOM 0 HA2 GLY A 81 -0.213 10.743 0.437 1.00 0.89 H new ATOM 0 HA3 GLY A 81 1.466 10.772 0.940 1.00 0.89 H new ATOM 1261 N TYR A 82 0.908 7.711 0.509 1.00 0.66 N ATOM 1262 CA TYR A 82 1.097 6.528 -0.358 1.00 0.61 C ATOM 1263 C TYR A 82 0.345 5.294 0.137 1.00 0.60 C ATOM 1264 O TYR A 82 0.223 5.066 1.335 1.00 0.70 O ATOM 1265 CB TYR A 82 2.583 6.181 -0.501 1.00 0.70 C ATOM 1266 CG TYR A 82 3.374 7.215 -1.267 1.00 0.70 C ATOM 1267 CD1 TYR A 82 3.347 7.216 -2.675 1.00 1.55 C ATOM 1268 CD2 TYR A 82 4.058 8.228 -0.573 1.00 2.01 C ATOM 1269 CE1 TYR A 82 3.995 8.236 -3.391 1.00 1.58 C ATOM 1270 CE2 TYR A 82 4.688 9.263 -1.281 1.00 2.06 C ATOM 1271 CZ TYR A 82 4.661 9.270 -2.694 1.00 0.86 C ATOM 1272 OH TYR A 82 5.259 10.282 -3.375 1.00 1.00 O ATOM 0 H TYR A 82 0.824 7.485 1.500 1.00 0.66 H new ATOM 0 HA TYR A 82 0.683 6.806 -1.327 1.00 0.61 H new ATOM 0 HB2 TYR A 82 3.018 6.065 0.492 1.00 0.70 H new ATOM 0 HB3 TYR A 82 2.676 5.218 -1.004 1.00 0.70 H new ATOM 0 HD1 TYR A 82 2.827 6.431 -3.205 1.00 1.55 H new ATOM 0 HD2 TYR A 82 4.099 8.210 0.506 1.00 2.01 H new ATOM 0 HE1 TYR A 82 3.984 8.230 -4.471 1.00 1.58 H new ATOM 0 HE2 TYR A 82 5.193 10.054 -0.746 1.00 2.06 H new ATOM 0 HH TYR A 82 5.668 10.906 -2.740 1.00 1.00 H new ATOM 1282 N HIS A 83 -0.176 4.495 -0.792 1.00 0.49 N ATOM 1283 CA HIS A 83 -0.925 3.271 -0.481 1.00 0.46 C ATOM 1284 C HIS A 83 -1.019 2.348 -1.702 1.00 0.44 C ATOM 1285 O HIS A 83 -0.978 2.820 -2.839 1.00 0.47 O ATOM 1286 CB HIS A 83 -2.306 3.626 0.081 1.00 0.47 C ATOM 1287 CG HIS A 83 -3.183 4.366 -0.884 1.00 0.44 C ATOM 1288 ND1 HIS A 83 -3.097 5.705 -1.210 1.00 0.45 N ATOM 1289 CD2 HIS A 83 -4.124 3.808 -1.700 1.00 0.45 C ATOM 1290 CE1 HIS A 83 -3.936 5.931 -2.226 1.00 0.46 C ATOM 1291 NE2 HIS A 83 -4.609 4.814 -2.526 1.00 0.47 N ATOM 0 H HIS A 83 -0.091 4.677 -1.792 1.00 0.49 H new ATOM 0 HA HIS A 83 -0.384 2.717 0.286 1.00 0.46 H new ATOM 0 HB2 HIS A 83 -2.810 2.709 0.385 1.00 0.47 H new ATOM 0 HB3 HIS A 83 -2.178 4.232 0.978 1.00 0.47 H new ATOM 0 HD2 HIS A 83 -4.435 2.774 -1.703 1.00 0.45 H new ATOM 0 HE1 HIS A 83 -4.054 6.878 -2.732 1.00 0.46 H new ATOM 0 HE2 HIS A 83 -5.341 4.719 -3.230 1.00 0.47 H new ATOM 1299 N PHE A 84 -1.250 1.051 -1.487 1.00 0.45 N ATOM 1300 CA PHE A 84 -1.806 0.200 -2.536 1.00 0.45 C ATOM 1301 C PHE A 84 -3.321 0.377 -2.531 1.00 0.48 C ATOM 1302 O PHE A 84 -3.924 0.369 -1.465 1.00 0.56 O ATOM 1303 CB PHE A 84 -1.466 -1.278 -2.297 1.00 0.49 C ATOM 1304 CG PHE A 84 -0.011 -1.629 -2.496 1.00 0.49 C ATOM 1305 CD1 PHE A 84 0.554 -1.553 -3.782 1.00 1.40 C ATOM 1306 CD2 PHE A 84 0.779 -2.037 -1.406 1.00 1.61 C ATOM 1307 CE1 PHE A 84 1.911 -1.864 -3.972 1.00 1.43 C ATOM 1308 CE2 PHE A 84 2.140 -2.332 -1.593 1.00 1.64 C ATOM 1309 CZ PHE A 84 2.708 -2.228 -2.873 1.00 0.65 C ATOM 0 H PHE A 84 -1.063 0.573 -0.606 1.00 0.45 H new ATOM 0 HA PHE A 84 -1.378 0.489 -3.496 1.00 0.45 H new ATOM 0 HB2 PHE A 84 -1.754 -1.544 -1.280 1.00 0.49 H new ATOM 0 HB3 PHE A 84 -2.069 -1.889 -2.969 1.00 0.49 H new ATOM 0 HD1 PHE A 84 -0.055 -1.256 -4.623 1.00 1.40 H new ATOM 0 HD2 PHE A 84 0.339 -2.124 -0.424 1.00 1.61 H new ATOM 0 HE1 PHE A 84 2.341 -1.823 -4.962 1.00 1.43 H new ATOM 0 HE2 PHE A 84 2.748 -2.638 -0.754 1.00 1.64 H new ATOM 0 HZ PHE A 84 3.760 -2.428 -3.013 1.00 0.65 H new ATOM 1319 N MET A 85 -3.941 0.459 -3.700 1.00 0.50 N ATOM 1320 CA MET A 85 -5.351 0.139 -3.932 1.00 0.50 C ATOM 1321 C MET A 85 -5.482 -1.376 -4.026 1.00 0.70 C ATOM 1322 O MET A 85 -4.682 -2.020 -4.704 1.00 0.88 O ATOM 1323 CB MET A 85 -5.855 0.778 -5.231 1.00 0.55 C ATOM 1324 CG MET A 85 -7.274 1.326 -5.045 1.00 0.66 C ATOM 1325 SD MET A 85 -7.357 2.717 -3.871 1.00 0.52 S ATOM 1326 CE MET A 85 -9.109 2.690 -3.396 1.00 0.55 C ATOM 0 H MET A 85 -3.461 0.761 -4.548 1.00 0.50 H new ATOM 0 HA MET A 85 -5.951 0.532 -3.111 1.00 0.50 H new ATOM 0 HB2 MET A 85 -5.184 1.583 -5.531 1.00 0.55 H new ATOM 0 HB3 MET A 85 -5.846 0.040 -6.033 1.00 0.55 H new ATOM 0 HG2 MET A 85 -7.661 1.650 -6.011 1.00 0.66 H new ATOM 0 HG3 MET A 85 -7.923 0.524 -4.695 1.00 0.66 H new ATOM 0 HE1 MET A 85 -9.412 3.684 -3.065 1.00 0.55 H new ATOM 0 HE2 MET A 85 -9.714 2.393 -4.253 1.00 0.55 H new ATOM 0 HE3 MET A 85 -9.255 1.977 -2.584 1.00 0.55 H new ATOM 1336 N LEU A 86 -6.486 -1.928 -3.352 1.00 0.73 N ATOM 1337 CA LEU A 86 -6.908 -3.319 -3.463 1.00 0.80 C ATOM 1338 C LEU A 86 -8.335 -3.300 -4.017 1.00 0.92 C ATOM 1339 O LEU A 86 -9.202 -2.636 -3.453 1.00 1.06 O ATOM 1340 CB LEU A 86 -6.886 -3.968 -2.066 1.00 0.87 C ATOM 1341 CG LEU A 86 -5.521 -4.418 -1.504 1.00 0.81 C ATOM 1342 CD1 LEU A 86 -4.451 -3.321 -1.413 1.00 0.71 C ATOM 1343 CD2 LEU A 86 -5.765 -4.977 -0.094 1.00 0.97 C ATOM 0 H LEU A 86 -7.050 -1.397 -2.688 1.00 0.73 H new ATOM 0 HA LEU A 86 -6.248 -3.891 -4.115 1.00 0.80 H new ATOM 0 HB2 LEU A 86 -7.322 -3.260 -1.361 1.00 0.87 H new ATOM 0 HB3 LEU A 86 -7.542 -4.838 -2.090 1.00 0.87 H new ATOM 0 HG LEU A 86 -5.125 -5.153 -2.205 1.00 0.81 H new ATOM 0 HD11 LEU A 86 -3.532 -3.742 -1.006 1.00 0.71 H new ATOM 0 HD12 LEU A 86 -4.257 -2.919 -2.407 1.00 0.71 H new ATOM 0 HD13 LEU A 86 -4.804 -2.522 -0.761 1.00 0.71 H new ATOM 0 HD21 LEU A 86 -4.819 -5.306 0.336 1.00 0.97 H new ATOM 0 HD22 LEU A 86 -6.199 -4.200 0.535 1.00 0.97 H new ATOM 0 HD23 LEU A 86 -6.451 -5.822 -0.151 1.00 0.97 H new ATOM 1355 N LEU A 87 -8.598 -4.011 -5.110 1.00 0.91 N ATOM 1356 CA LEU A 87 -9.837 -3.869 -5.880 1.00 1.01 C ATOM 1357 C LEU A 87 -10.236 -5.211 -6.497 1.00 0.84 C ATOM 1358 O LEU A 87 -9.392 -5.966 -6.982 1.00 0.83 O ATOM 1359 CB LEU A 87 -9.594 -2.722 -6.883 1.00 1.55 C ATOM 1360 CG LEU A 87 -10.800 -2.239 -7.714 1.00 1.34 C ATOM 1361 CD1 LEU A 87 -10.573 -0.761 -8.071 1.00 2.15 C ATOM 1362 CD2 LEU A 87 -11.000 -3.043 -9.004 1.00 2.14 C ATOM 0 H LEU A 87 -7.956 -4.706 -5.491 1.00 0.91 H new ATOM 0 HA LEU A 87 -10.698 -3.601 -5.267 1.00 1.01 H new ATOM 0 HB2 LEU A 87 -9.202 -1.868 -6.330 1.00 1.55 H new ATOM 0 HB3 LEU A 87 -8.814 -3.039 -7.575 1.00 1.55 H new ATOM 0 HG LEU A 87 -11.698 -2.378 -7.113 1.00 1.34 H new ATOM 0 HD11 LEU A 87 -11.414 -0.396 -8.660 1.00 2.15 H new ATOM 0 HD12 LEU A 87 -10.489 -0.175 -7.156 1.00 2.15 H new ATOM 0 HD13 LEU A 87 -9.655 -0.663 -8.650 1.00 2.15 H new ATOM 0 HD21 LEU A 87 -11.864 -2.655 -9.544 1.00 2.14 H new ATOM 0 HD22 LEU A 87 -10.111 -2.955 -9.629 1.00 2.14 H new ATOM 0 HD23 LEU A 87 -11.167 -4.091 -8.757 1.00 2.14 H new ATOM 1374 N GLY A 88 -11.528 -5.545 -6.416 1.00 0.87 N ATOM 1375 CA GLY A 88 -12.022 -6.892 -6.716 1.00 0.88 C ATOM 1376 C GLY A 88 -11.759 -7.848 -5.551 1.00 0.91 C ATOM 1377 O GLY A 88 -11.189 -8.916 -5.758 1.00 1.03 O ATOM 0 H GLY A 88 -12.260 -4.890 -6.141 1.00 0.87 H new ATOM 0 HA2 GLY A 88 -13.091 -6.853 -6.924 1.00 0.88 H new ATOM 0 HA3 GLY A 88 -11.536 -7.269 -7.616 1.00 0.88 H new ATOM 1381 N LEU A 89 -12.085 -7.426 -4.321 1.00 0.93 N ATOM 1382 CA LEU A 89 -11.955 -8.238 -3.106 1.00 0.94 C ATOM 1383 C LEU A 89 -12.600 -9.617 -3.246 1.00 0.90 C ATOM 1384 O LEU A 89 -13.580 -9.829 -3.955 1.00 1.08 O ATOM 1385 CB LEU A 89 -12.509 -7.552 -1.845 1.00 1.07 C ATOM 1386 CG LEU A 89 -12.268 -6.046 -1.623 1.00 1.43 C ATOM 1387 CD1 LEU A 89 -12.684 -5.748 -0.180 1.00 3.27 C ATOM 1388 CD2 LEU A 89 -10.819 -5.570 -1.836 1.00 2.45 C ATOM 0 H LEU A 89 -12.454 -6.492 -4.141 1.00 0.93 H new ATOM 0 HA LEU A 89 -10.879 -8.358 -2.982 1.00 0.94 H new ATOM 0 HB2 LEU A 89 -13.587 -7.714 -1.834 1.00 1.07 H new ATOM 0 HB3 LEU A 89 -12.099 -8.077 -0.982 1.00 1.07 H new ATOM 0 HG LEU A 89 -12.850 -5.509 -2.372 1.00 1.43 H new ATOM 0 HD11 LEU A 89 -12.533 -4.689 0.031 1.00 3.27 H new ATOM 0 HD12 LEU A 89 -13.736 -5.998 -0.046 1.00 3.27 H new ATOM 0 HD13 LEU A 89 -12.079 -6.344 0.503 1.00 3.27 H new ATOM 0 HD21 LEU A 89 -10.758 -4.497 -1.655 1.00 2.45 H new ATOM 0 HD22 LEU A 89 -10.159 -6.093 -1.144 1.00 2.45 H new ATOM 0 HD23 LEU A 89 -10.513 -5.783 -2.860 1.00 2.45 H new ATOM 1400 N LYS A 90 -12.025 -10.561 -2.510 1.00 0.91 N ATOM 1401 CA LYS A 90 -12.329 -11.994 -2.651 1.00 0.88 C ATOM 1402 C LYS A 90 -13.169 -12.552 -1.494 1.00 0.99 C ATOM 1403 O LYS A 90 -13.535 -13.725 -1.498 1.00 0.99 O ATOM 1404 CB LYS A 90 -11.021 -12.774 -2.856 1.00 0.92 C ATOM 1405 CG LYS A 90 -10.169 -12.289 -4.049 1.00 1.06 C ATOM 1406 CD LYS A 90 -10.932 -12.344 -5.383 1.00 1.31 C ATOM 1407 CE LYS A 90 -10.136 -11.883 -6.608 1.00 1.30 C ATOM 1408 NZ LYS A 90 -8.890 -12.644 -6.844 1.00 2.35 N ATOM 0 H LYS A 90 -11.329 -10.360 -1.792 1.00 0.91 H new ATOM 0 HA LYS A 90 -12.957 -12.120 -3.533 1.00 0.88 H new ATOM 0 HB2 LYS A 90 -10.424 -12.704 -1.947 1.00 0.92 H new ATOM 0 HB3 LYS A 90 -11.259 -13.828 -3.000 1.00 0.92 H new ATOM 0 HG2 LYS A 90 -9.841 -11.266 -3.864 1.00 1.06 H new ATOM 0 HG3 LYS A 90 -9.271 -12.903 -4.123 1.00 1.06 H new ATOM 0 HD2 LYS A 90 -11.266 -13.368 -5.551 1.00 1.31 H new ATOM 0 HD3 LYS A 90 -11.827 -11.727 -5.297 1.00 1.31 H new ATOM 0 HE2 LYS A 90 -10.770 -11.964 -7.491 1.00 1.30 H new ATOM 0 HE3 LYS A 90 -9.887 -10.828 -6.490 1.00 1.30 H new ATOM 0 HZ1 LYS A 90 -8.070 -12.027 -6.676 1.00 2.35 H new ATOM 0 HZ2 LYS A 90 -8.851 -13.456 -6.196 1.00 2.35 H new ATOM 0 HZ3 LYS A 90 -8.872 -12.984 -7.827 1.00 2.35 H new ATOM 1422 N ARG A 91 -13.479 -11.719 -0.495 1.00 1.25 N ATOM 1423 CA ARG A 91 -14.313 -12.074 0.659 1.00 1.38 C ATOM 1424 C ARG A 91 -15.018 -10.842 1.251 1.00 1.44 C ATOM 1425 O ARG A 91 -14.461 -9.749 1.143 1.00 1.53 O ATOM 1426 CB ARG A 91 -13.446 -12.811 1.701 1.00 1.59 C ATOM 1427 CG ARG A 91 -12.574 -11.926 2.617 1.00 2.33 C ATOM 1428 CD ARG A 91 -11.613 -12.785 3.454 1.00 2.51 C ATOM 1429 NE ARG A 91 -10.933 -12.008 4.511 1.00 3.86 N ATOM 1430 CZ ARG A 91 -9.658 -12.048 4.885 1.00 4.93 C ATOM 1431 NH1 ARG A 91 -8.723 -12.754 4.289 1.00 5.11 N ATOM 1432 NH2 ARG A 91 -9.305 -11.342 5.923 1.00 6.44 N ATOM 0 H ARG A 91 -13.149 -10.754 -0.466 1.00 1.25 H new ATOM 0 HA ARG A 91 -15.109 -12.744 0.334 1.00 1.38 H new ATOM 0 HB2 ARG A 91 -14.104 -13.410 2.330 1.00 1.59 H new ATOM 0 HB3 ARG A 91 -12.792 -13.504 1.172 1.00 1.59 H new ATOM 0 HG2 ARG A 91 -12.005 -11.220 2.013 1.00 2.33 H new ATOM 0 HG3 ARG A 91 -13.212 -11.339 3.277 1.00 2.33 H new ATOM 0 HD2 ARG A 91 -12.168 -13.605 3.910 1.00 2.51 H new ATOM 0 HD3 ARG A 91 -10.866 -13.232 2.798 1.00 2.51 H new ATOM 0 HE ARG A 91 -11.522 -11.352 5.023 1.00 3.86 H new ATOM 0 HH11 ARG A 91 -8.955 -13.325 3.477 1.00 5.11 H new ATOM 0 HH12 ARG A 91 -7.765 -12.730 4.639 1.00 5.11 H new ATOM 0 HH21 ARG A 91 -9.999 -10.783 6.420 1.00 6.44 H new ATOM 0 HH22 ARG A 91 -8.335 -11.349 6.238 1.00 6.44 H new ATOM 1446 N PRO A 92 -16.173 -11.009 1.928 1.00 1.59 N ATOM 1447 CA PRO A 92 -16.690 -10.010 2.846 1.00 1.85 C ATOM 1448 C PRO A 92 -15.778 -9.994 4.078 1.00 1.98 C ATOM 1449 O PRO A 92 -15.921 -10.816 4.989 1.00 2.54 O ATOM 1450 CB PRO A 92 -18.130 -10.440 3.144 1.00 2.11 C ATOM 1451 CG PRO A 92 -18.094 -11.962 2.995 1.00 2.11 C ATOM 1452 CD PRO A 92 -17.021 -12.197 1.930 1.00 1.75 C ATOM 0 HA PRO A 92 -16.702 -8.992 2.457 1.00 1.85 H new ATOM 0 HB2 PRO A 92 -18.437 -10.143 4.147 1.00 2.11 H new ATOM 0 HB3 PRO A 92 -18.835 -9.986 2.448 1.00 2.11 H new ATOM 0 HG2 PRO A 92 -17.839 -12.450 3.935 1.00 2.11 H new ATOM 0 HG3 PRO A 92 -19.061 -12.357 2.683 1.00 2.11 H new ATOM 0 HD2 PRO A 92 -16.438 -13.090 2.157 1.00 1.75 H new ATOM 0 HD3 PRO A 92 -17.474 -12.352 0.951 1.00 1.75 H new ATOM 1460 N LEU A 93 -14.799 -9.083 4.065 1.00 1.76 N ATOM 1461 CA LEU A 93 -13.873 -8.828 5.134 1.00 1.93 C ATOM 1462 C LEU A 93 -14.469 -7.795 6.083 1.00 1.70 C ATOM 1463 O LEU A 93 -15.494 -7.159 5.837 1.00 2.32 O ATOM 1464 CB LEU A 93 -12.476 -8.460 4.580 1.00 2.26 C ATOM 1465 CG LEU A 93 -12.334 -7.319 3.546 1.00 1.65 C ATOM 1466 CD1 LEU A 93 -12.876 -5.957 4.010 1.00 2.66 C ATOM 1467 CD2 LEU A 93 -10.841 -7.172 3.205 1.00 1.85 C ATOM 0 H LEU A 93 -14.637 -8.480 3.258 1.00 1.76 H new ATOM 0 HA LEU A 93 -13.711 -9.732 5.721 1.00 1.93 H new ATOM 0 HB2 LEU A 93 -11.845 -8.207 5.432 1.00 2.26 H new ATOM 0 HB3 LEU A 93 -12.058 -9.360 4.130 1.00 2.26 H new ATOM 0 HG LEU A 93 -12.940 -7.599 2.684 1.00 1.65 H new ATOM 0 HD11 LEU A 93 -12.733 -5.220 3.220 1.00 2.66 H new ATOM 0 HD12 LEU A 93 -13.939 -6.046 4.235 1.00 2.66 H new ATOM 0 HD13 LEU A 93 -12.341 -5.638 4.905 1.00 2.66 H new ATOM 0 HD21 LEU A 93 -10.711 -6.372 2.476 1.00 1.85 H new ATOM 0 HD22 LEU A 93 -10.283 -6.932 4.110 1.00 1.85 H new ATOM 0 HD23 LEU A 93 -10.469 -8.108 2.787 1.00 1.85 H new ATOM 1479 N LYS A 94 -13.839 -7.740 7.236 1.00 1.20 N ATOM 1480 CA LYS A 94 -14.412 -7.165 8.456 1.00 1.26 C ATOM 1481 C LYS A 94 -13.384 -6.488 9.358 1.00 1.15 C ATOM 1482 O LYS A 94 -12.188 -6.746 9.297 1.00 1.50 O ATOM 1483 CB LYS A 94 -15.065 -8.278 9.284 1.00 1.58 C ATOM 1484 CG LYS A 94 -16.111 -9.120 8.544 1.00 1.77 C ATOM 1485 CD LYS A 94 -16.427 -10.322 9.431 1.00 2.87 C ATOM 1486 CE LYS A 94 -17.063 -11.478 8.645 1.00 3.68 C ATOM 1487 NZ LYS A 94 -16.137 -11.978 7.596 1.00 4.22 N ATOM 0 H LYS A 94 -12.893 -8.099 7.365 1.00 1.20 H new ATOM 0 HA LYS A 94 -15.125 -6.411 8.123 1.00 1.26 H new ATOM 0 HB2 LYS A 94 -14.282 -8.942 9.651 1.00 1.58 H new ATOM 0 HB3 LYS A 94 -15.537 -7.829 10.158 1.00 1.58 H new ATOM 0 HG2 LYS A 94 -17.011 -8.535 8.352 1.00 1.77 H new ATOM 0 HG3 LYS A 94 -15.730 -9.445 7.576 1.00 1.77 H new ATOM 0 HD2 LYS A 94 -15.510 -10.670 9.906 1.00 2.87 H new ATOM 0 HD3 LYS A 94 -17.102 -10.014 10.229 1.00 2.87 H new ATOM 0 HE2 LYS A 94 -17.319 -12.289 9.327 1.00 3.68 H new ATOM 0 HE3 LYS A 94 -17.993 -11.143 8.185 1.00 3.68 H new ATOM 0 HZ1 LYS A 94 -16.356 -12.973 7.385 1.00 4.22 H new ATOM 0 HZ2 LYS A 94 -16.250 -11.409 6.733 1.00 4.22 H new ATOM 0 HZ3 LYS A 94 -15.156 -11.903 7.934 1.00 4.22 H new ATOM 1501 N ALA A 95 -13.901 -5.702 10.297 1.00 1.16 N ATOM 1502 CA ALA A 95 -13.122 -5.203 11.422 1.00 1.19 C ATOM 1503 C ALA A 95 -12.739 -6.388 12.323 1.00 1.15 C ATOM 1504 O ALA A 95 -13.614 -7.088 12.829 1.00 1.29 O ATOM 1505 CB ALA A 95 -13.944 -4.140 12.158 1.00 1.43 C ATOM 0 H ALA A 95 -14.873 -5.393 10.298 1.00 1.16 H new ATOM 0 HA ALA A 95 -12.197 -4.731 11.091 1.00 1.19 H new ATOM 0 HB1 ALA A 95 -13.371 -3.758 13.003 1.00 1.43 H new ATOM 0 HB2 ALA A 95 -14.174 -3.321 11.476 1.00 1.43 H new ATOM 0 HB3 ALA A 95 -14.872 -4.583 12.519 1.00 1.43 H new ATOM 1511 N GLY A 96 -11.432 -6.613 12.463 1.00 1.07 N ATOM 1512 CA GLY A 96 -10.848 -7.672 13.297 1.00 1.10 C ATOM 1513 C GLY A 96 -10.376 -8.925 12.556 1.00 1.11 C ATOM 1514 O GLY A 96 -10.056 -9.909 13.218 1.00 1.42 O ATOM 0 H GLY A 96 -10.728 -6.049 11.987 1.00 1.07 H new ATOM 0 HA2 GLY A 96 -10.000 -7.254 13.840 1.00 1.10 H new ATOM 0 HA3 GLY A 96 -11.587 -7.970 14.041 1.00 1.10 H new ATOM 1518 N GLU A 97 -10.321 -8.922 11.221 1.00 1.01 N ATOM 1519 CA GLU A 97 -9.596 -9.943 10.450 1.00 0.96 C ATOM 1520 C GLU A 97 -8.109 -9.590 10.276 1.00 0.81 C ATOM 1521 O GLU A 97 -7.619 -8.580 10.774 1.00 0.77 O ATOM 1522 CB GLU A 97 -10.262 -10.158 9.084 1.00 1.01 C ATOM 1523 CG GLU A 97 -11.635 -10.810 9.202 1.00 1.39 C ATOM 1524 CD GLU A 97 -12.380 -10.916 7.875 1.00 1.08 C ATOM 1525 OE1 GLU A 97 -11.779 -10.641 6.815 1.00 2.14 O ATOM 1526 OE2 GLU A 97 -13.567 -11.305 7.899 1.00 1.85 O ATOM 0 H GLU A 97 -10.776 -8.215 10.643 1.00 1.01 H new ATOM 0 HA GLU A 97 -9.643 -10.872 11.018 1.00 0.96 H new ATOM 0 HB2 GLU A 97 -10.361 -9.199 8.576 1.00 1.01 H new ATOM 0 HB3 GLU A 97 -9.619 -10.782 8.464 1.00 1.01 H new ATOM 0 HG2 GLU A 97 -11.518 -11.808 9.624 1.00 1.39 H new ATOM 0 HG3 GLU A 97 -12.241 -10.236 9.904 1.00 1.39 H new ATOM 1533 N GLU A 98 -7.406 -10.418 9.505 1.00 0.81 N ATOM 1534 CA GLU A 98 -6.010 -10.403 9.164 1.00 0.75 C ATOM 1535 C GLU A 98 -5.878 -10.936 7.736 1.00 0.76 C ATOM 1536 O GLU A 98 -6.755 -11.635 7.207 1.00 0.95 O ATOM 1537 CB GLU A 98 -5.210 -11.276 10.150 1.00 0.97 C ATOM 1538 CG GLU A 98 -4.427 -10.389 11.115 1.00 2.63 C ATOM 1539 CD GLU A 98 -3.307 -9.600 10.426 1.00 4.20 C ATOM 1540 OE1 GLU A 98 -3.135 -9.752 9.189 1.00 5.12 O ATOM 1541 OE2 GLU A 98 -2.645 -8.818 11.132 1.00 5.19 O ATOM 0 H GLU A 98 -7.873 -11.207 9.057 1.00 0.81 H new ATOM 0 HA GLU A 98 -5.610 -9.391 9.225 1.00 0.75 H new ATOM 0 HB2 GLU A 98 -5.887 -11.924 10.707 1.00 0.97 H new ATOM 0 HB3 GLU A 98 -4.526 -11.924 9.602 1.00 0.97 H new ATOM 0 HG2 GLU A 98 -5.112 -9.692 11.597 1.00 2.63 H new ATOM 0 HG3 GLU A 98 -3.997 -11.008 11.902 1.00 2.63 H new ATOM 1548 N VAL A 99 -4.784 -10.534 7.120 1.00 0.82 N ATOM 1549 CA VAL A 99 -4.449 -10.691 5.695 1.00 0.87 C ATOM 1550 C VAL A 99 -2.929 -10.646 5.511 1.00 0.93 C ATOM 1551 O VAL A 99 -2.290 -9.678 5.916 1.00 0.89 O ATOM 1552 CB VAL A 99 -5.114 -9.576 4.842 1.00 0.95 C ATOM 1553 CG1 VAL A 99 -4.666 -9.637 3.367 1.00 1.19 C ATOM 1554 CG2 VAL A 99 -6.655 -9.659 4.852 1.00 0.95 C ATOM 0 H VAL A 99 -4.043 -10.052 7.629 1.00 0.82 H new ATOM 0 HA VAL A 99 -4.829 -11.655 5.358 1.00 0.87 H new ATOM 0 HB VAL A 99 -4.792 -8.642 5.303 1.00 0.95 H new ATOM 0 HG11 VAL A 99 -5.154 -8.840 2.805 1.00 1.19 H new ATOM 0 HG12 VAL A 99 -3.585 -9.512 3.310 1.00 1.19 H new ATOM 0 HG13 VAL A 99 -4.942 -10.602 2.942 1.00 1.19 H new ATOM 0 HG21 VAL A 99 -7.067 -8.856 4.240 1.00 0.95 H new ATOM 0 HG22 VAL A 99 -6.970 -10.621 4.448 1.00 0.95 H new ATOM 0 HG23 VAL A 99 -7.018 -9.558 5.875 1.00 0.95 H new ATOM 1564 N GLU A 100 -2.359 -11.645 4.828 1.00 1.10 N ATOM 1565 CA GLU A 100 -0.961 -11.582 4.376 1.00 1.15 C ATOM 1566 C GLU A 100 -0.879 -10.998 2.954 1.00 1.14 C ATOM 1567 O GLU A 100 -1.592 -11.430 2.047 1.00 1.56 O ATOM 1568 CB GLU A 100 -0.250 -12.949 4.470 1.00 1.63 C ATOM 1569 CG GLU A 100 1.273 -12.727 4.455 1.00 3.06 C ATOM 1570 CD GLU A 100 2.122 -13.991 4.475 1.00 3.46 C ATOM 1571 OE1 GLU A 100 1.836 -14.912 3.673 1.00 2.90 O ATOM 1572 OE2 GLU A 100 3.159 -13.968 5.176 1.00 4.84 O ATOM 0 H GLU A 100 -2.842 -12.507 4.575 1.00 1.10 H new ATOM 0 HA GLU A 100 -0.429 -10.913 5.053 1.00 1.15 H new ATOM 0 HB2 GLU A 100 -0.546 -13.465 5.384 1.00 1.63 H new ATOM 0 HB3 GLU A 100 -0.546 -13.585 3.635 1.00 1.63 H new ATOM 0 HG2 GLU A 100 1.530 -12.152 3.565 1.00 3.06 H new ATOM 0 HG3 GLU A 100 1.542 -12.117 5.317 1.00 3.06 H new ATOM 1579 N LEU A 101 0.003 -10.013 2.772 1.00 0.84 N ATOM 1580 CA LEU A 101 0.345 -9.394 1.493 1.00 0.75 C ATOM 1581 C LEU A 101 1.784 -9.740 1.087 1.00 0.66 C ATOM 1582 O LEU A 101 2.718 -9.693 1.893 1.00 0.71 O ATOM 1583 CB LEU A 101 0.056 -7.882 1.592 1.00 0.80 C ATOM 1584 CG LEU A 101 0.480 -6.976 0.417 1.00 1.48 C ATOM 1585 CD1 LEU A 101 -0.525 -5.824 0.244 1.00 2.08 C ATOM 1586 CD2 LEU A 101 1.865 -6.370 0.658 1.00 2.84 C ATOM 0 H LEU A 101 0.522 -9.607 3.551 1.00 0.84 H new ATOM 0 HA LEU A 101 -0.272 -9.790 0.686 1.00 0.75 H new ATOM 0 HB2 LEU A 101 -1.017 -7.758 1.737 1.00 0.80 H new ATOM 0 HB3 LEU A 101 0.544 -7.509 2.492 1.00 0.80 H new ATOM 0 HG LEU A 101 0.506 -7.596 -0.479 1.00 1.48 H new ATOM 0 HD11 LEU A 101 -0.214 -5.192 -0.588 1.00 2.08 H new ATOM 0 HD12 LEU A 101 -1.515 -6.232 0.040 1.00 2.08 H new ATOM 0 HD13 LEU A 101 -0.559 -5.230 1.157 1.00 2.08 H new ATOM 0 HD21 LEU A 101 2.137 -5.737 -0.186 1.00 2.84 H new ATOM 0 HD22 LEU A 101 1.847 -5.772 1.569 1.00 2.84 H new ATOM 0 HD23 LEU A 101 2.599 -7.169 0.763 1.00 2.84 H new ATOM 1598 N ASP A 102 1.937 -10.062 -0.190 1.00 0.67 N ATOM 1599 CA ASP A 102 3.203 -10.250 -0.900 1.00 0.65 C ATOM 1600 C ASP A 102 3.705 -8.897 -1.453 1.00 0.64 C ATOM 1601 O ASP A 102 2.895 -8.035 -1.798 1.00 0.88 O ATOM 1602 CB ASP A 102 2.973 -11.213 -2.075 1.00 0.73 C ATOM 1603 CG ASP A 102 2.333 -12.564 -1.733 1.00 1.14 C ATOM 1604 OD1 ASP A 102 2.737 -13.209 -0.741 1.00 2.15 O ATOM 1605 OD2 ASP A 102 1.452 -12.993 -2.518 1.00 2.34 O ATOM 0 H ASP A 102 1.132 -10.209 -0.799 1.00 0.67 H new ATOM 0 HA ASP A 102 3.946 -10.656 -0.214 1.00 0.65 H new ATOM 0 HB2 ASP A 102 2.342 -10.712 -2.809 1.00 0.73 H new ATOM 0 HB3 ASP A 102 3.933 -11.401 -2.555 1.00 0.73 H new ATOM 1610 N LEU A 103 5.022 -8.696 -1.585 1.00 0.59 N ATOM 1611 CA LEU A 103 5.642 -7.461 -2.090 1.00 0.54 C ATOM 1612 C LEU A 103 6.545 -7.768 -3.287 1.00 0.52 C ATOM 1613 O LEU A 103 7.361 -8.685 -3.219 1.00 0.61 O ATOM 1614 CB LEU A 103 6.492 -6.777 -1.007 1.00 0.56 C ATOM 1615 CG LEU A 103 5.730 -6.316 0.248 1.00 0.77 C ATOM 1616 CD1 LEU A 103 5.671 -7.424 1.306 1.00 1.22 C ATOM 1617 CD2 LEU A 103 6.429 -5.102 0.877 1.00 0.77 C ATOM 0 H LEU A 103 5.708 -9.409 -1.336 1.00 0.59 H new ATOM 0 HA LEU A 103 4.833 -6.794 -2.388 1.00 0.54 H new ATOM 0 HB2 LEU A 103 7.278 -7.466 -0.699 1.00 0.56 H new ATOM 0 HB3 LEU A 103 6.983 -5.911 -1.450 1.00 0.56 H new ATOM 0 HG LEU A 103 4.719 -6.059 -0.067 1.00 0.77 H new ATOM 0 HD11 LEU A 103 5.126 -7.065 2.179 1.00 1.22 H new ATOM 0 HD12 LEU A 103 5.162 -8.295 0.893 1.00 1.22 H new ATOM 0 HD13 LEU A 103 6.684 -7.701 1.599 1.00 1.22 H new ATOM 0 HD21 LEU A 103 5.880 -4.785 1.764 1.00 0.77 H new ATOM 0 HD22 LEU A 103 7.447 -5.373 1.157 1.00 0.77 H new ATOM 0 HD23 LEU A 103 6.457 -4.285 0.157 1.00 0.77 H new ATOM 1629 N LEU A 104 6.438 -6.965 -4.353 1.00 0.51 N ATOM 1630 CA LEU A 104 7.164 -7.138 -5.609 1.00 0.50 C ATOM 1631 C LEU A 104 8.169 -5.994 -5.806 1.00 0.48 C ATOM 1632 O LEU A 104 7.803 -4.816 -5.913 1.00 0.52 O ATOM 1633 CB LEU A 104 6.142 -7.192 -6.760 1.00 0.51 C ATOM 1634 CG LEU A 104 5.053 -8.284 -6.646 1.00 0.58 C ATOM 1635 CD1 LEU A 104 4.139 -8.232 -7.878 1.00 0.60 C ATOM 1636 CD2 LEU A 104 5.638 -9.697 -6.505 1.00 0.64 C ATOM 0 H LEU A 104 5.823 -6.152 -4.361 1.00 0.51 H new ATOM 0 HA LEU A 104 7.732 -8.068 -5.591 1.00 0.50 H new ATOM 0 HB2 LEU A 104 5.650 -6.222 -6.829 1.00 0.51 H new ATOM 0 HB3 LEU A 104 6.683 -7.342 -7.694 1.00 0.51 H new ATOM 0 HG LEU A 104 4.487 -8.076 -5.738 1.00 0.58 H new ATOM 0 HD11 LEU A 104 3.373 -9.003 -7.795 1.00 0.60 H new ATOM 0 HD12 LEU A 104 3.664 -7.253 -7.938 1.00 0.60 H new ATOM 0 HD13 LEU A 104 4.730 -8.404 -8.777 1.00 0.60 H new ATOM 0 HD21 LEU A 104 4.827 -10.421 -6.429 1.00 0.64 H new ATOM 0 HD22 LEU A 104 6.249 -9.927 -7.378 1.00 0.64 H new ATOM 0 HD23 LEU A 104 6.254 -9.748 -5.608 1.00 0.64 H new ATOM 1648 N PHE A 105 9.450 -6.350 -5.867 1.00 0.54 N ATOM 1649 CA PHE A 105 10.570 -5.419 -5.987 1.00 0.60 C ATOM 1650 C PHE A 105 11.257 -5.560 -7.357 1.00 0.69 C ATOM 1651 O PHE A 105 11.319 -6.651 -7.934 1.00 0.90 O ATOM 1652 CB PHE A 105 11.564 -5.710 -4.864 1.00 0.66 C ATOM 1653 CG PHE A 105 11.002 -5.488 -3.477 1.00 0.58 C ATOM 1654 CD1 PHE A 105 11.043 -4.205 -2.898 1.00 1.92 C ATOM 1655 CD2 PHE A 105 10.445 -6.561 -2.755 1.00 1.76 C ATOM 1656 CE1 PHE A 105 10.588 -4.006 -1.584 1.00 1.83 C ATOM 1657 CE2 PHE A 105 9.991 -6.357 -1.448 1.00 1.86 C ATOM 1658 CZ PHE A 105 10.082 -5.092 -0.851 1.00 0.62 C ATOM 0 H PHE A 105 9.747 -7.325 -5.833 1.00 0.54 H new ATOM 0 HA PHE A 105 10.202 -4.396 -5.906 1.00 0.60 H new ATOM 0 HB2 PHE A 105 11.900 -6.743 -4.948 1.00 0.66 H new ATOM 0 HB3 PHE A 105 12.442 -5.077 -4.996 1.00 0.66 H new ATOM 0 HD1 PHE A 105 11.426 -3.370 -3.467 1.00 1.92 H new ATOM 0 HD2 PHE A 105 10.369 -7.538 -3.209 1.00 1.76 H new ATOM 0 HE1 PHE A 105 10.627 -3.023 -1.139 1.00 1.83 H new ATOM 0 HE2 PHE A 105 9.567 -7.181 -0.894 1.00 1.86 H new ATOM 0 HZ PHE A 105 9.763 -4.953 0.171 1.00 0.62 H new ATOM 1668 N ALA A 106 11.822 -4.458 -7.860 1.00 0.69 N ATOM 1669 CA ALA A 106 12.584 -4.440 -9.108 1.00 0.75 C ATOM 1670 C ALA A 106 13.794 -5.397 -9.066 1.00 1.35 C ATOM 1671 O ALA A 106 14.387 -5.635 -8.013 1.00 1.94 O ATOM 1672 CB ALA A 106 13.020 -3.003 -9.418 1.00 1.30 C ATOM 0 H ALA A 106 11.761 -3.546 -7.407 1.00 0.69 H new ATOM 0 HA ALA A 106 11.938 -4.800 -9.909 1.00 0.75 H new ATOM 0 HB1 ALA A 106 13.588 -2.988 -10.348 1.00 1.30 H new ATOM 0 HB2 ALA A 106 12.139 -2.370 -9.521 1.00 1.30 H new ATOM 0 HB3 ALA A 106 13.643 -2.629 -8.606 1.00 1.30 H new ATOM 1678 N GLY A 107 14.165 -5.948 -10.230 1.00 2.09 N ATOM 1679 CA GLY A 107 15.318 -6.852 -10.372 1.00 2.95 C ATOM 1680 C GLY A 107 15.076 -8.286 -9.886 1.00 2.59 C ATOM 1681 O GLY A 107 16.038 -9.032 -9.722 1.00 3.50 O ATOM 0 H GLY A 107 13.671 -5.779 -11.106 1.00 2.09 H new ATOM 0 HA2 GLY A 107 15.609 -6.884 -11.422 1.00 2.95 H new ATOM 0 HA3 GLY A 107 16.160 -6.434 -9.820 1.00 2.95 H new ATOM 1685 N GLY A 108 13.822 -8.679 -9.622 1.00 1.65 N ATOM 1686 CA GLY A 108 13.438 -10.063 -9.304 1.00 1.59 C ATOM 1687 C GLY A 108 13.676 -10.443 -7.844 1.00 1.65 C ATOM 1688 O GLY A 108 14.510 -11.302 -7.557 1.00 2.37 O ATOM 0 H GLY A 108 13.032 -8.034 -9.623 1.00 1.65 H new ATOM 0 HA2 GLY A 108 12.383 -10.202 -9.540 1.00 1.59 H new ATOM 0 HA3 GLY A 108 14.000 -10.743 -9.944 1.00 1.59 H new ATOM 1692 N LYS A 109 12.977 -9.781 -6.919 1.00 1.08 N ATOM 1693 CA LYS A 109 12.899 -10.125 -5.494 1.00 1.02 C ATOM 1694 C LYS A 109 11.455 -10.038 -4.968 1.00 0.95 C ATOM 1695 O LYS A 109 10.691 -9.185 -5.416 1.00 0.85 O ATOM 1696 CB LYS A 109 13.811 -9.185 -4.688 1.00 1.02 C ATOM 1697 CG LYS A 109 15.295 -9.435 -4.961 1.00 1.41 C ATOM 1698 CD LYS A 109 15.920 -8.528 -6.036 1.00 1.97 C ATOM 1699 CE LYS A 109 17.285 -9.069 -6.492 1.00 2.77 C ATOM 1700 NZ LYS A 109 17.151 -10.208 -7.439 1.00 3.92 N ATOM 0 H LYS A 109 12.426 -8.955 -7.151 1.00 1.08 H new ATOM 0 HA LYS A 109 13.233 -11.156 -5.374 1.00 1.02 H new ATOM 0 HB2 LYS A 109 13.569 -8.151 -4.933 1.00 1.02 H new ATOM 0 HB3 LYS A 109 13.613 -9.316 -3.624 1.00 1.02 H new ATOM 0 HG2 LYS A 109 15.847 -9.304 -4.030 1.00 1.41 H new ATOM 0 HG3 LYS A 109 15.423 -10.474 -5.264 1.00 1.41 H new ATOM 0 HD2 LYS A 109 15.249 -8.458 -6.892 1.00 1.97 H new ATOM 0 HD3 LYS A 109 16.039 -7.519 -5.641 1.00 1.97 H new ATOM 0 HE2 LYS A 109 17.851 -8.268 -6.968 1.00 2.77 H new ATOM 0 HE3 LYS A 109 17.857 -9.389 -5.621 1.00 2.77 H new ATOM 0 HZ1 LYS A 109 18.006 -10.799 -7.395 1.00 3.92 H new ATOM 0 HZ2 LYS A 109 16.322 -10.779 -7.180 1.00 3.92 H new ATOM 0 HZ3 LYS A 109 17.032 -9.844 -8.406 1.00 3.92 H new ATOM 1714 N VAL A 110 11.113 -10.893 -3.998 1.00 1.12 N ATOM 1715 CA VAL A 110 9.774 -10.976 -3.397 1.00 1.04 C ATOM 1716 C VAL A 110 9.886 -11.153 -1.875 1.00 1.06 C ATOM 1717 O VAL A 110 10.829 -11.784 -1.396 1.00 1.23 O ATOM 1718 CB VAL A 110 8.923 -12.117 -4.030 1.00 1.12 C ATOM 1719 CG1 VAL A 110 7.501 -12.226 -3.451 1.00 1.75 C ATOM 1720 CG2 VAL A 110 8.813 -11.960 -5.559 1.00 2.03 C ATOM 0 H VAL A 110 11.772 -11.561 -3.599 1.00 1.12 H new ATOM 0 HA VAL A 110 9.256 -10.040 -3.605 1.00 1.04 H new ATOM 0 HB VAL A 110 9.461 -13.031 -3.779 1.00 1.12 H new ATOM 0 HG11 VAL A 110 6.970 -13.042 -3.941 1.00 1.75 H new ATOM 0 HG12 VAL A 110 7.558 -12.421 -2.380 1.00 1.75 H new ATOM 0 HG13 VAL A 110 6.966 -11.292 -3.621 1.00 1.75 H new ATOM 0 HG21 VAL A 110 8.212 -12.774 -5.966 1.00 2.03 H new ATOM 0 HG22 VAL A 110 8.339 -11.007 -5.794 1.00 2.03 H new ATOM 0 HG23 VAL A 110 9.809 -11.989 -6.000 1.00 2.03 H new ATOM 1730 N LEU A 111 8.926 -10.587 -1.135 1.00 0.91 N ATOM 1731 CA LEU A 111 8.848 -10.586 0.334 1.00 0.96 C ATOM 1732 C LEU A 111 7.377 -10.662 0.787 1.00 0.83 C ATOM 1733 O LEU A 111 6.477 -10.491 -0.027 1.00 0.96 O ATOM 1734 CB LEU A 111 9.531 -9.290 0.822 1.00 1.04 C ATOM 1735 CG LEU A 111 9.878 -9.144 2.316 1.00 1.33 C ATOM 1736 CD1 LEU A 111 10.803 -10.263 2.809 1.00 1.80 C ATOM 1737 CD2 LEU A 111 10.548 -7.777 2.507 1.00 2.14 C ATOM 0 H LEU A 111 8.143 -10.093 -1.563 1.00 0.91 H new ATOM 0 HA LEU A 111 9.352 -11.453 0.761 1.00 0.96 H new ATOM 0 HB2 LEU A 111 10.456 -9.173 0.257 1.00 1.04 H new ATOM 0 HB3 LEU A 111 8.884 -8.455 0.552 1.00 1.04 H new ATOM 0 HG LEU A 111 8.963 -9.219 2.904 1.00 1.33 H new ATOM 0 HD11 LEU A 111 11.019 -10.117 3.867 1.00 1.80 H new ATOM 0 HD12 LEU A 111 10.315 -11.227 2.668 1.00 1.80 H new ATOM 0 HD13 LEU A 111 11.734 -10.242 2.242 1.00 1.80 H new ATOM 0 HD21 LEU A 111 10.807 -7.642 3.557 1.00 2.14 H new ATOM 0 HD22 LEU A 111 11.453 -7.727 1.901 1.00 2.14 H new ATOM 0 HD23 LEU A 111 9.861 -6.989 2.199 1.00 2.14 H new ATOM 1749 N LYS A 112 7.116 -10.878 2.081 1.00 1.34 N ATOM 1750 CA LYS A 112 5.765 -10.906 2.672 1.00 1.34 C ATOM 1751 C LYS A 112 5.594 -9.998 3.907 1.00 1.46 C ATOM 1752 O LYS A 112 6.479 -9.938 4.766 1.00 1.88 O ATOM 1753 CB LYS A 112 5.455 -12.353 3.077 1.00 1.89 C ATOM 1754 CG LYS A 112 5.032 -13.195 1.870 1.00 1.71 C ATOM 1755 CD LYS A 112 4.980 -14.681 2.249 1.00 2.42 C ATOM 1756 CE LYS A 112 4.240 -15.509 1.198 1.00 1.98 C ATOM 1757 NZ LYS A 112 2.804 -15.150 1.145 1.00 2.00 N ATOM 0 H LYS A 112 7.853 -11.043 2.766 1.00 1.34 H new ATOM 0 HA LYS A 112 5.079 -10.524 1.916 1.00 1.34 H new ATOM 0 HB2 LYS A 112 6.335 -12.798 3.542 1.00 1.89 H new ATOM 0 HB3 LYS A 112 4.661 -12.361 3.824 1.00 1.89 H new ATOM 0 HG2 LYS A 112 4.054 -12.869 1.515 1.00 1.71 H new ATOM 0 HG3 LYS A 112 5.735 -13.046 1.050 1.00 1.71 H new ATOM 0 HD2 LYS A 112 5.995 -15.063 2.364 1.00 2.42 H new ATOM 0 HD3 LYS A 112 4.486 -14.793 3.214 1.00 2.42 H new ATOM 0 HE2 LYS A 112 4.694 -15.349 0.220 1.00 1.98 H new ATOM 0 HE3 LYS A 112 4.344 -16.569 1.428 1.00 1.98 H new ATOM 0 HZ1 LYS A 112 2.277 -15.899 0.652 1.00 2.00 H new ATOM 0 HZ2 LYS A 112 2.436 -15.047 2.112 1.00 2.00 H new ATOM 0 HZ3 LYS A 112 2.689 -14.252 0.634 1.00 2.00 H new ATOM 1771 N VAL A 113 4.415 -9.393 4.071 1.00 1.21 N ATOM 1772 CA VAL A 113 3.965 -8.675 5.286 1.00 1.33 C ATOM 1773 C VAL A 113 2.567 -9.137 5.710 1.00 1.14 C ATOM 1774 O VAL A 113 1.846 -9.711 4.908 1.00 0.97 O ATOM 1775 CB VAL A 113 3.936 -7.137 5.118 1.00 1.46 C ATOM 1776 CG1 VAL A 113 5.360 -6.559 5.076 1.00 2.17 C ATOM 1777 CG2 VAL A 113 3.042 -6.663 3.965 1.00 2.49 C ATOM 0 H VAL A 113 3.710 -9.385 3.333 1.00 1.21 H new ATOM 0 HA VAL A 113 4.702 -8.919 6.052 1.00 1.33 H new ATOM 0 HB VAL A 113 3.456 -6.727 6.007 1.00 1.46 H new ATOM 0 HG11 VAL A 113 5.310 -5.477 4.957 1.00 2.17 H new ATOM 0 HG12 VAL A 113 5.877 -6.799 6.005 1.00 2.17 H new ATOM 0 HG13 VAL A 113 5.904 -6.991 4.236 1.00 2.17 H new ATOM 0 HG21 VAL A 113 3.070 -5.575 3.907 1.00 2.49 H new ATOM 0 HG22 VAL A 113 3.403 -7.086 3.027 1.00 2.49 H new ATOM 0 HG23 VAL A 113 2.017 -6.991 4.141 1.00 2.49 H new ATOM 1787 N VAL A 114 2.201 -8.850 6.958 1.00 1.34 N ATOM 1788 CA VAL A 114 0.940 -9.227 7.619 1.00 1.22 C ATOM 1789 C VAL A 114 0.252 -7.923 8.059 1.00 1.15 C ATOM 1790 O VAL A 114 0.959 -6.977 8.413 1.00 1.59 O ATOM 1791 CB VAL A 114 1.235 -10.162 8.821 1.00 1.76 C ATOM 1792 CG1 VAL A 114 -0.025 -10.579 9.579 1.00 1.91 C ATOM 1793 CG2 VAL A 114 1.974 -11.438 8.375 1.00 2.21 C ATOM 0 H VAL A 114 2.810 -8.316 7.578 1.00 1.34 H new ATOM 0 HA VAL A 114 0.282 -9.777 6.947 1.00 1.22 H new ATOM 0 HB VAL A 114 1.865 -9.575 9.490 1.00 1.76 H new ATOM 0 HG11 VAL A 114 0.248 -11.232 10.408 1.00 1.91 H new ATOM 0 HG12 VAL A 114 -0.527 -9.692 9.966 1.00 1.91 H new ATOM 0 HG13 VAL A 114 -0.696 -11.111 8.904 1.00 1.91 H new ATOM 0 HG21 VAL A 114 2.165 -12.070 9.242 1.00 2.21 H new ATOM 0 HG22 VAL A 114 1.360 -11.982 7.657 1.00 2.21 H new ATOM 0 HG23 VAL A 114 2.921 -11.166 7.909 1.00 2.21 H new ATOM 1803 N LEU A 115 -1.079 -7.826 7.948 1.00 0.86 N ATOM 1804 CA LEU A 115 -1.836 -6.565 7.920 1.00 0.96 C ATOM 1805 C LEU A 115 -3.276 -6.805 8.459 1.00 0.87 C ATOM 1806 O LEU A 115 -4.113 -7.340 7.716 1.00 1.04 O ATOM 1807 CB LEU A 115 -1.930 -6.071 6.453 1.00 1.19 C ATOM 1808 CG LEU A 115 -0.630 -5.766 5.685 1.00 1.01 C ATOM 1809 CD1 LEU A 115 -0.982 -5.479 4.217 1.00 2.07 C ATOM 1810 CD2 LEU A 115 0.124 -4.562 6.258 1.00 1.93 C ATOM 0 H LEU A 115 -1.679 -8.648 7.873 1.00 0.86 H new ATOM 0 HA LEU A 115 -1.332 -5.824 8.541 1.00 0.96 H new ATOM 0 HB2 LEU A 115 -2.478 -6.824 5.886 1.00 1.19 H new ATOM 0 HB3 LEU A 115 -2.536 -5.165 6.449 1.00 1.19 H new ATOM 0 HG LEU A 115 0.021 -6.635 5.778 1.00 1.01 H new ATOM 0 HD11 LEU A 115 -0.071 -5.261 3.660 1.00 2.07 H new ATOM 0 HD12 LEU A 115 -1.473 -6.350 3.783 1.00 2.07 H new ATOM 0 HD13 LEU A 115 -1.653 -4.622 4.165 1.00 2.07 H new ATOM 0 HD21 LEU A 115 1.032 -4.392 5.679 1.00 1.93 H new ATOM 0 HD22 LEU A 115 -0.510 -3.677 6.206 1.00 1.93 H new ATOM 0 HD23 LEU A 115 0.388 -4.759 7.297 1.00 1.93 H new ATOM 1822 N PRO A 116 -3.617 -6.362 9.687 1.00 0.68 N ATOM 1823 CA PRO A 116 -4.954 -6.522 10.243 1.00 0.61 C ATOM 1824 C PRO A 116 -5.978 -5.731 9.431 1.00 0.70 C ATOM 1825 O PRO A 116 -5.663 -4.692 8.853 1.00 0.92 O ATOM 1826 CB PRO A 116 -4.874 -6.058 11.699 1.00 0.65 C ATOM 1827 CG PRO A 116 -3.692 -5.091 11.693 1.00 0.61 C ATOM 1828 CD PRO A 116 -2.756 -5.713 10.662 1.00 0.64 C ATOM 0 HA PRO A 116 -5.288 -7.559 10.200 1.00 0.61 H new ATOM 0 HB2 PRO A 116 -5.794 -5.567 12.016 1.00 0.65 H new ATOM 0 HB3 PRO A 116 -4.707 -6.893 12.379 1.00 0.65 H new ATOM 0 HG2 PRO A 116 -3.995 -4.083 11.409 1.00 0.61 H new ATOM 0 HG3 PRO A 116 -3.223 -5.019 12.674 1.00 0.61 H new ATOM 0 HD2 PRO A 116 -2.134 -4.953 10.190 1.00 0.64 H new ATOM 0 HD3 PRO A 116 -2.082 -6.432 11.129 1.00 0.64 H new ATOM 1836 N VAL A 117 -7.215 -6.220 9.392 1.00 0.71 N ATOM 1837 CA VAL A 117 -8.323 -5.568 8.680 1.00 0.86 C ATOM 1838 C VAL A 117 -9.052 -4.641 9.654 1.00 0.92 C ATOM 1839 O VAL A 117 -9.599 -5.072 10.671 1.00 0.93 O ATOM 1840 CB VAL A 117 -9.284 -6.563 8.012 1.00 0.94 C ATOM 1841 CG1 VAL A 117 -10.304 -5.807 7.138 1.00 1.11 C ATOM 1842 CG2 VAL A 117 -8.560 -7.580 7.111 1.00 0.94 C ATOM 0 H VAL A 117 -7.484 -7.087 9.856 1.00 0.71 H new ATOM 0 HA VAL A 117 -7.906 -4.987 7.858 1.00 0.86 H new ATOM 0 HB VAL A 117 -9.774 -7.102 8.822 1.00 0.94 H new ATOM 0 HG11 VAL A 117 -10.981 -6.521 6.669 1.00 1.11 H new ATOM 0 HG12 VAL A 117 -10.877 -5.119 7.760 1.00 1.11 H new ATOM 0 HG13 VAL A 117 -9.777 -5.246 6.367 1.00 1.11 H new ATOM 0 HG21 VAL A 117 -9.290 -8.257 6.667 1.00 0.94 H new ATOM 0 HG22 VAL A 117 -8.027 -7.051 6.321 1.00 0.94 H new ATOM 0 HG23 VAL A 117 -7.850 -8.153 7.707 1.00 0.94 H new ATOM 1852 N GLU A 118 -9.013 -3.343 9.338 1.00 0.99 N ATOM 1853 CA GLU A 118 -9.118 -2.252 10.305 1.00 0.82 C ATOM 1854 C GLU A 118 -9.675 -0.975 9.651 1.00 0.91 C ATOM 1855 O GLU A 118 -9.506 -0.741 8.452 1.00 1.14 O ATOM 1856 CB GLU A 118 -7.724 -2.012 10.933 1.00 1.27 C ATOM 1857 CG GLU A 118 -7.697 -2.307 12.438 1.00 1.80 C ATOM 1858 CD GLU A 118 -8.330 -1.160 13.212 1.00 2.45 C ATOM 1859 OE1 GLU A 118 -9.535 -0.895 13.022 1.00 3.12 O ATOM 1860 OE2 GLU A 118 -7.597 -0.412 13.892 1.00 3.29 O ATOM 0 H GLU A 118 -8.905 -3.016 8.378 1.00 0.99 H new ATOM 0 HA GLU A 118 -9.822 -2.527 11.090 1.00 0.82 H new ATOM 0 HB2 GLU A 118 -6.990 -2.641 10.430 1.00 1.27 H new ATOM 0 HB3 GLU A 118 -7.427 -0.977 10.764 1.00 1.27 H new ATOM 0 HG2 GLU A 118 -8.233 -3.233 12.644 1.00 1.80 H new ATOM 0 HG3 GLU A 118 -6.669 -2.454 12.768 1.00 1.80 H new ATOM 1867 N ALA A 119 -10.383 -0.153 10.427 1.00 1.09 N ATOM 1868 CA ALA A 119 -11.253 0.915 9.918 1.00 1.31 C ATOM 1869 C ALA A 119 -10.660 2.322 10.114 1.00 1.74 C ATOM 1870 O ALA A 119 -10.874 2.945 11.157 1.00 2.27 O ATOM 1871 CB ALA A 119 -12.629 0.757 10.584 1.00 1.51 C ATOM 0 H ALA A 119 -10.369 -0.210 11.445 1.00 1.09 H new ATOM 0 HA ALA A 119 -11.351 0.815 8.837 1.00 1.31 H new ATOM 0 HB1 ALA A 119 -13.299 1.538 10.225 1.00 1.51 H new ATOM 0 HB2 ALA A 119 -13.044 -0.220 10.335 1.00 1.51 H new ATOM 0 HB3 ALA A 119 -12.521 0.840 11.665 1.00 1.51 H new ATOM 1877 N ARG A 120 -9.928 2.813 9.102 1.00 2.18 N ATOM 1878 CA ARG A 120 -9.478 4.213 8.957 1.00 2.68 C ATOM 1879 C ARG A 120 -10.168 4.869 7.755 1.00 2.78 C ATOM 1880 O ARG A 120 -11.051 5.714 7.986 1.00 3.45 O ATOM 1881 CB ARG A 120 -7.942 4.291 8.799 1.00 3.71 C ATOM 1882 CG ARG A 120 -7.076 3.719 9.936 1.00 4.80 C ATOM 1883 CD ARG A 120 -7.317 4.360 11.313 1.00 5.56 C ATOM 1884 NE ARG A 120 -8.352 3.643 12.073 1.00 5.98 N ATOM 1885 CZ ARG A 120 -8.193 2.568 12.824 1.00 7.13 C ATOM 1886 NH1 ARG A 120 -7.029 2.122 13.178 1.00 8.07 N ATOM 1887 NH2 ARG A 120 -9.222 1.887 13.212 1.00 7.96 N ATOM 1888 OXT ARG A 120 -9.824 4.480 6.615 1.00 3.41 O ATOM 0 H ARG A 120 -9.619 2.224 8.329 1.00 2.18 H new ATOM 0 HA ARG A 120 -9.753 4.753 9.863 1.00 2.68 H new ATOM 0 HB2 ARG A 120 -7.673 3.772 7.879 1.00 3.71 H new ATOM 0 HB3 ARG A 120 -7.671 5.338 8.666 1.00 3.71 H new ATOM 0 HG2 ARG A 120 -7.262 2.648 10.012 1.00 4.80 H new ATOM 0 HG3 ARG A 120 -6.026 3.843 9.672 1.00 4.80 H new ATOM 0 HD2 ARG A 120 -6.386 4.364 11.880 1.00 5.56 H new ATOM 0 HD3 ARG A 120 -7.616 5.400 11.183 1.00 5.56 H new ATOM 0 HE ARG A 120 -9.299 4.018 12.014 1.00 5.98 H new ATOM 0 HH11 ARG A 120 -6.184 2.606 12.875 1.00 8.07 H new ATOM 0 HH12 ARG A 120 -6.958 1.287 13.759 1.00 8.07 H new ATOM 0 HH21 ARG A 120 -10.160 2.180 12.938 1.00 7.96 H new ATOM 0 HH22 ARG A 120 -9.095 1.057 13.792 1.00 7.96 H new