USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 430 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 36 ASN : amide:sc= -1.5 K(o=-3.7,f=-5.4) USER MOD Set 1.2: A 52 ASN : amide:sc= -2.19 K(o=-3.7,f=-9.9!) USER MOD Set 2.1: A 3 THR OG1 : rot -166:sc= -0.793 USER MOD Set 2.2: A 28 HIS :FLIP no HE2:sc= -0.727 F(o=-3.8!,f=-1.5) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00352 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -4.15! C(o=-4.1!,f=-4.7!) USER MOD Single : A 14 GLN : amide:sc= -0.0426 X(o=-0.043,f=-0.28) USER MOD Single : A 30 MET CE :methyl -179:sc= 0 (180deg=-0.00315) USER MOD Single : A 32 ASN : amide:sc= -0.982! C(o=-0.98!,f=-2.3!) USER MOD Single : A 33 SER OG : rot 180:sc= -0.71 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 66:sc= -2.74! USER MOD Single : A 43 HIS : no HE2:sc= -6.32! C(o=-6.3!,f=-11!) USER MOD Single : A 45 GLN :FLIP amide:sc=-0.00433 F(o=-0.87,f=-0.0043) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0897 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.676 X(o=-0.68,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.157 1.193 3.799 1.00 2.65 N ATOM 2 CA GLY A 1 2.259 -0.078 4.573 1.00 1.97 C ATOM 3 C GLY A 1 1.127 -1.032 4.175 1.00 1.10 C ATOM 4 O GLY A 1 1.029 -1.441 3.034 1.00 0.95 O ATOM 0 H1 GLY A 1 2.929 1.832 4.077 1.00 2.65 H new ATOM 0 H2 GLY A 1 2.227 0.987 2.782 1.00 2.65 H new ATOM 0 H3 GLY A 1 1.243 1.648 3.997 1.00 2.65 H new ATOM 0 HA2 GLY A 1 3.224 -0.549 4.387 1.00 1.97 H new ATOM 0 HA3 GLY A 1 2.208 0.133 5.641 1.00 1.97 H new ATOM 10 N SER A 2 0.301 -1.369 5.130 1.00 0.92 N ATOM 11 CA SER A 2 -0.829 -2.290 4.837 1.00 0.08 C ATOM 12 C SER A 2 -2.074 -1.880 5.620 1.00 0.23 C ATOM 13 O SER A 2 -1.969 -1.385 6.725 1.00 0.34 O ATOM 14 CB SER A 2 -0.414 -3.699 5.276 1.00 0.95 C ATOM 15 OG SER A 2 -0.600 -3.690 6.684 1.00 2.35 O ATOM 0 H SER A 2 0.362 -1.046 6.096 1.00 0.92 H new ATOM 0 HA SER A 2 -1.059 -2.257 3.772 1.00 0.08 H new ATOM 0 HB2 SER A 2 -1.027 -4.463 4.797 1.00 0.95 H new ATOM 0 HB3 SER A 2 0.622 -3.910 5.012 1.00 0.95 H new ATOM 0 HG SER A 2 -0.356 -4.565 7.052 1.00 2.35 H new ATOM 21 N THR A 3 -3.228 -2.091 5.034 1.00 0.30 N ATOM 22 CA THR A 3 -4.492 -1.717 5.734 1.00 0.48 C ATOM 23 C THR A 3 -5.457 -2.883 5.781 1.00 0.49 C ATOM 24 O THR A 3 -6.637 -2.703 5.960 1.00 0.89 O ATOM 25 CB THR A 3 -5.179 -0.587 4.956 1.00 0.62 C ATOM 26 OG1 THR A 3 -6.264 -1.206 4.290 1.00 0.59 O ATOM 27 CG2 THR A 3 -4.315 -0.082 3.808 1.00 0.71 C ATOM 0 H THR A 3 -3.347 -2.503 4.108 1.00 0.30 H new ATOM 0 HA THR A 3 -4.236 -1.412 6.749 1.00 0.48 H new ATOM 0 HB THR A 3 -5.418 0.223 5.646 1.00 0.62 H new ATOM 0 HG1 THR A 3 -6.615 -0.600 3.604 1.00 0.59 H new ATOM 0 HG21 THR A 3 -4.838 0.717 3.283 1.00 0.71 H new ATOM 0 HG22 THR A 3 -3.373 0.299 4.202 1.00 0.71 H new ATOM 0 HG23 THR A 3 -4.115 -0.900 3.116 1.00 0.71 H new ATOM 35 N TYR A 4 -4.945 -4.056 5.668 1.00 0.09 N ATOM 36 CA TYR A 4 -5.854 -5.227 5.704 1.00 0.15 C ATOM 37 C TYR A 4 -6.108 -5.732 7.124 1.00 0.13 C ATOM 38 O TYR A 4 -5.316 -5.534 8.025 1.00 0.09 O ATOM 39 CB TYR A 4 -5.233 -6.368 4.899 1.00 0.19 C ATOM 40 CG TYR A 4 -4.981 -5.933 3.450 1.00 0.52 C ATOM 41 CD1 TYR A 4 -3.785 -5.341 3.094 1.00 0.92 C ATOM 42 CD2 TYR A 4 -5.927 -6.165 2.471 1.00 0.92 C ATOM 43 CE1 TYR A 4 -3.540 -4.990 1.781 1.00 1.41 C ATOM 44 CE2 TYR A 4 -5.679 -5.813 1.159 1.00 1.42 C ATOM 45 CZ TYR A 4 -4.485 -5.223 0.804 1.00 1.61 C ATOM 46 OH TYR A 4 -4.238 -4.872 -0.508 1.00 2.16 O ATOM 0 H TYR A 4 -3.953 -4.263 5.554 1.00 0.09 H new ATOM 0 HA TYR A 4 -6.806 -4.906 5.282 1.00 0.15 H new ATOM 0 HB2 TYR A 4 -4.295 -6.677 5.360 1.00 0.19 H new ATOM 0 HB3 TYR A 4 -5.895 -7.233 4.914 1.00 0.19 H new ATOM 0 HD1 TYR A 4 -3.036 -5.151 3.848 1.00 0.92 H new ATOM 0 HD2 TYR A 4 -6.868 -6.625 2.734 1.00 0.92 H new ATOM 0 HE1 TYR A 4 -2.600 -4.529 1.517 1.00 1.41 H new ATOM 0 HE2 TYR A 4 -6.428 -6.002 0.404 1.00 1.42 H new ATOM 0 HH TYR A 4 -5.011 -5.110 -1.061 1.00 2.16 H new ATOM 56 N VAL A 5 -7.230 -6.377 7.271 1.00 0.18 N ATOM 57 CA VAL A 5 -7.631 -6.938 8.586 1.00 0.17 C ATOM 58 C VAL A 5 -8.055 -8.386 8.390 1.00 0.13 C ATOM 59 O VAL A 5 -7.769 -8.975 7.372 1.00 0.12 O ATOM 60 CB VAL A 5 -8.844 -6.178 9.088 1.00 0.16 C ATOM 61 CG1 VAL A 5 -8.533 -4.674 9.152 1.00 0.21 C ATOM 62 CG2 VAL A 5 -10.003 -6.430 8.123 1.00 0.14 C ATOM 0 H VAL A 5 -7.898 -6.541 6.518 1.00 0.18 H new ATOM 0 HA VAL A 5 -6.801 -6.863 9.288 1.00 0.17 H new ATOM 0 HB VAL A 5 -9.109 -6.518 10.089 1.00 0.16 H new ATOM 0 HG11 VAL A 5 -9.410 -4.136 9.513 1.00 0.21 H new ATOM 0 HG12 VAL A 5 -7.697 -4.504 9.831 1.00 0.21 H new ATOM 0 HG13 VAL A 5 -8.271 -4.314 8.157 1.00 0.21 H new ATOM 0 HG21 VAL A 5 -10.886 -5.891 8.467 1.00 0.14 H new ATOM 0 HG22 VAL A 5 -9.730 -6.081 7.127 1.00 0.14 H new ATOM 0 HG23 VAL A 5 -10.220 -7.497 8.086 1.00 0.14 H new ATOM 72 N GLN A 6 -8.696 -8.937 9.383 1.00 0.15 N ATOM 73 CA GLN A 6 -9.164 -10.348 9.280 1.00 0.12 C ATOM 74 C GLN A 6 -10.483 -10.453 10.001 1.00 0.11 C ATOM 75 O GLN A 6 -10.526 -10.624 11.198 1.00 0.10 O ATOM 76 CB GLN A 6 -8.210 -11.349 9.926 1.00 0.14 C ATOM 77 CG GLN A 6 -6.760 -11.056 9.567 1.00 0.17 C ATOM 78 CD GLN A 6 -5.978 -12.376 9.607 1.00 0.17 C ATOM 79 OE1 GLN A 6 -4.920 -12.469 10.199 1.00 0.19 O ATOM 80 NE2 GLN A 6 -6.470 -13.419 8.989 1.00 0.17 N ATOM 0 H GLN A 6 -8.916 -8.470 10.263 1.00 0.15 H new ATOM 0 HA GLN A 6 -9.234 -10.590 8.219 1.00 0.12 H new ATOM 0 HB2 GLN A 6 -8.330 -11.320 11.009 1.00 0.14 H new ATOM 0 HB3 GLN A 6 -8.468 -12.358 9.604 1.00 0.14 H new ATOM 0 HG2 GLN A 6 -6.697 -10.607 8.576 1.00 0.17 H new ATOM 0 HG3 GLN A 6 -6.332 -10.340 10.269 1.00 0.17 H new ATOM 0 HE21 GLN A 6 -7.357 -13.345 8.491 1.00 0.17 H new ATOM 0 HE22 GLN A 6 -5.966 -14.306 9.005 1.00 0.17 H new ATOM 89 N ALA A 7 -11.519 -10.339 9.240 1.00 0.12 N ATOM 90 CA ALA A 7 -12.888 -10.415 9.799 1.00 0.11 C ATOM 91 C ALA A 7 -12.949 -11.139 11.162 1.00 0.15 C ATOM 92 O ALA A 7 -12.737 -12.332 11.247 1.00 0.15 O ATOM 93 CB ALA A 7 -13.733 -11.155 8.775 1.00 0.06 C ATOM 0 H ALA A 7 -11.478 -10.193 8.231 1.00 0.12 H new ATOM 0 HA ALA A 7 -13.255 -9.406 9.987 1.00 0.11 H new ATOM 0 HB1 ALA A 7 -14.757 -11.239 9.140 1.00 0.06 H new ATOM 0 HB2 ALA A 7 -13.727 -10.606 7.833 1.00 0.06 H new ATOM 0 HB3 ALA A 7 -13.322 -12.152 8.616 1.00 0.06 H new ATOM 99 N LEU A 8 -13.236 -10.382 12.199 1.00 0.20 N ATOM 100 CA LEU A 8 -13.325 -10.961 13.573 1.00 0.24 C ATOM 101 C LEU A 8 -14.437 -11.992 13.622 1.00 0.13 C ATOM 102 O LEU A 8 -14.278 -13.073 14.154 1.00 0.18 O ATOM 103 CB LEU A 8 -13.665 -9.814 14.540 1.00 0.34 C ATOM 104 CG LEU A 8 -13.386 -10.246 15.985 1.00 0.78 C ATOM 105 CD1 LEU A 8 -11.874 -10.263 16.245 1.00 1.40 C ATOM 106 CD2 LEU A 8 -14.040 -9.242 16.937 1.00 1.87 C ATOM 0 H LEU A 8 -13.413 -9.379 12.147 1.00 0.20 H new ATOM 0 HA LEU A 8 -12.384 -11.438 13.846 1.00 0.24 H new ATOM 0 HB2 LEU A 8 -13.073 -8.933 14.294 1.00 0.34 H new ATOM 0 HB3 LEU A 8 -14.713 -9.534 14.431 1.00 0.34 H new ATOM 0 HG LEU A 8 -13.791 -11.245 16.147 1.00 0.78 H new ATOM 0 HD11 LEU A 8 -11.685 -10.571 17.273 1.00 1.40 H new ATOM 0 HD12 LEU A 8 -11.395 -10.965 15.562 1.00 1.40 H new ATOM 0 HD13 LEU A 8 -11.466 -9.265 16.084 1.00 1.40 H new ATOM 0 HD21 LEU A 8 -13.848 -9.540 17.968 1.00 1.87 H new ATOM 0 HD22 LEU A 8 -13.623 -8.250 16.762 1.00 1.87 H new ATOM 0 HD23 LEU A 8 -15.115 -9.220 16.760 1.00 1.87 H new ATOM 118 N PHE A 9 -15.548 -11.619 13.063 1.00 0.12 N ATOM 119 CA PHE A 9 -16.719 -12.526 13.032 1.00 0.16 C ATOM 120 C PHE A 9 -17.368 -12.413 11.676 1.00 0.16 C ATOM 121 O PHE A 9 -16.875 -11.753 10.781 1.00 0.16 O ATOM 122 CB PHE A 9 -17.757 -12.079 14.066 1.00 0.23 C ATOM 123 CG PHE A 9 -17.846 -13.105 15.199 1.00 0.27 C ATOM 124 CD1 PHE A 9 -16.779 -13.300 16.057 1.00 0.82 C ATOM 125 CD2 PHE A 9 -19.003 -13.842 15.390 1.00 0.31 C ATOM 126 CE1 PHE A 9 -16.867 -14.214 17.089 1.00 0.86 C ATOM 127 CE2 PHE A 9 -19.092 -14.754 16.421 1.00 0.27 C ATOM 128 CZ PHE A 9 -18.023 -14.941 17.271 1.00 0.35 C ATOM 0 H PHE A 9 -15.696 -10.712 12.621 1.00 0.12 H new ATOM 0 HA PHE A 9 -16.389 -13.543 13.243 1.00 0.16 H new ATOM 0 HB2 PHE A 9 -17.484 -11.104 14.469 1.00 0.23 H new ATOM 0 HB3 PHE A 9 -18.731 -11.966 13.590 1.00 0.23 H new ATOM 0 HD1 PHE A 9 -15.870 -12.733 15.919 1.00 0.82 H new ATOM 0 HD2 PHE A 9 -19.843 -13.701 14.726 1.00 0.31 H new ATOM 0 HE1 PHE A 9 -16.028 -14.359 17.754 1.00 0.86 H new ATOM 0 HE2 PHE A 9 -20.000 -15.322 16.562 1.00 0.27 H new ATOM 0 HZ PHE A 9 -18.092 -15.656 18.078 1.00 0.35 H new ATOM 138 N ASP A 10 -18.455 -13.064 11.563 1.00 0.17 N ATOM 139 CA ASP A 10 -19.201 -13.043 10.304 1.00 0.18 C ATOM 140 C ASP A 10 -20.010 -11.755 10.264 1.00 0.15 C ATOM 141 O ASP A 10 -20.418 -11.274 11.301 1.00 0.27 O ATOM 142 CB ASP A 10 -20.141 -14.240 10.330 1.00 0.15 C ATOM 143 CG ASP A 10 -19.710 -15.195 11.445 1.00 0.13 C ATOM 144 OD1 ASP A 10 -18.632 -15.746 11.297 1.00 0.16 O ATOM 145 OD2 ASP A 10 -20.482 -15.319 12.381 1.00 0.13 O ATOM 0 H ASP A 10 -18.874 -13.626 12.304 1.00 0.17 H new ATOM 0 HA ASP A 10 -18.547 -13.090 9.433 1.00 0.18 H new ATOM 0 HB2 ASP A 10 -21.166 -13.909 10.495 1.00 0.15 H new ATOM 0 HB3 ASP A 10 -20.122 -14.753 9.368 1.00 0.15 H new ATOM 150 N PHE A 11 -20.228 -11.209 9.097 1.00 0.45 N ATOM 151 CA PHE A 11 -21.016 -9.943 9.049 1.00 0.43 C ATOM 152 C PHE A 11 -22.006 -9.884 7.901 1.00 0.35 C ATOM 153 O PHE A 11 -21.621 -9.948 6.749 1.00 0.42 O ATOM 154 CB PHE A 11 -20.045 -8.784 8.844 1.00 0.39 C ATOM 155 CG PHE A 11 -20.866 -7.505 8.764 1.00 0.37 C ATOM 156 CD1 PHE A 11 -21.535 -7.051 9.881 1.00 0.45 C ATOM 157 CD2 PHE A 11 -20.996 -6.815 7.572 1.00 0.29 C ATOM 158 CE1 PHE A 11 -22.324 -5.929 9.814 1.00 0.44 C ATOM 159 CE2 PHE A 11 -21.784 -5.688 7.504 1.00 0.28 C ATOM 160 CZ PHE A 11 -22.450 -5.245 8.626 1.00 0.35 C ATOM 0 H PHE A 11 -19.906 -11.571 8.200 1.00 0.45 H new ATOM 0 HA PHE A 11 -21.573 -9.889 9.984 1.00 0.43 H new ATOM 0 HB2 PHE A 11 -19.333 -8.731 9.667 1.00 0.39 H new ATOM 0 HB3 PHE A 11 -19.467 -8.926 7.931 1.00 0.39 H new ATOM 0 HD1 PHE A 11 -21.438 -7.582 10.816 1.00 0.45 H new ATOM 0 HD2 PHE A 11 -20.477 -7.162 6.691 1.00 0.29 H new ATOM 0 HE1 PHE A 11 -22.846 -5.583 10.694 1.00 0.44 H new ATOM 0 HE2 PHE A 11 -21.880 -5.151 6.572 1.00 0.28 H new ATOM 0 HZ PHE A 11 -23.070 -4.362 8.573 1.00 0.35 H new ATOM 170 N ASP A 12 -23.268 -9.761 8.236 1.00 0.34 N ATOM 171 CA ASP A 12 -24.283 -9.688 7.162 1.00 0.37 C ATOM 172 C ASP A 12 -24.688 -8.229 6.972 1.00 0.33 C ATOM 173 O ASP A 12 -24.964 -7.547 7.939 1.00 0.30 O ATOM 174 CB ASP A 12 -25.565 -10.408 7.543 1.00 0.44 C ATOM 175 CG ASP A 12 -25.437 -11.888 7.187 1.00 0.63 C ATOM 176 OD1 ASP A 12 -25.485 -12.164 5.997 1.00 1.73 O ATOM 177 OD2 ASP A 12 -25.294 -12.657 8.120 1.00 1.45 O ATOM 0 H ASP A 12 -23.625 -9.710 9.190 1.00 0.34 H new ATOM 0 HA ASP A 12 -23.842 -10.139 6.273 1.00 0.37 H new ATOM 0 HB2 ASP A 12 -25.757 -10.294 8.610 1.00 0.44 H new ATOM 0 HB3 ASP A 12 -26.413 -9.968 7.018 1.00 0.44 H new ATOM 182 N PRO A 13 -24.727 -7.756 5.762 1.00 0.33 N ATOM 183 CA PRO A 13 -25.110 -6.370 5.513 1.00 0.32 C ATOM 184 C PRO A 13 -26.343 -5.912 6.290 1.00 0.39 C ATOM 185 O PRO A 13 -27.418 -6.459 6.147 1.00 1.16 O ATOM 186 CB PRO A 13 -25.447 -6.386 4.036 1.00 0.37 C ATOM 187 CG PRO A 13 -24.588 -7.497 3.413 1.00 0.38 C ATOM 188 CD PRO A 13 -24.365 -8.506 4.533 1.00 0.36 C ATOM 0 HA PRO A 13 -24.317 -5.687 5.819 1.00 0.32 H new ATOM 0 HB2 PRO A 13 -26.508 -6.581 3.881 1.00 0.37 H new ATOM 0 HB3 PRO A 13 -25.230 -5.422 3.577 1.00 0.37 H new ATOM 0 HG2 PRO A 13 -25.094 -7.957 2.564 1.00 0.38 H new ATOM 0 HG3 PRO A 13 -23.641 -7.103 3.044 1.00 0.38 H new ATOM 0 HD2 PRO A 13 -24.990 -9.390 4.405 1.00 0.36 H new ATOM 0 HD3 PRO A 13 -23.331 -8.848 4.563 1.00 0.36 H new ATOM 196 N GLN A 14 -26.136 -4.918 7.104 1.00 0.61 N ATOM 197 CA GLN A 14 -27.241 -4.358 7.921 1.00 0.64 C ATOM 198 C GLN A 14 -27.469 -2.908 7.494 1.00 0.82 C ATOM 199 O GLN A 14 -28.212 -2.176 8.117 1.00 1.13 O ATOM 200 CB GLN A 14 -26.830 -4.388 9.397 1.00 0.67 C ATOM 201 CG GLN A 14 -26.498 -5.826 9.792 1.00 0.91 C ATOM 202 CD GLN A 14 -27.275 -6.194 11.056 1.00 0.96 C ATOM 203 OE1 GLN A 14 -28.467 -5.979 11.149 1.00 2.60 O ATOM 204 NE2 GLN A 14 -26.638 -6.747 12.050 1.00 0.76 N ATOM 0 H GLN A 14 -25.233 -4.464 7.239 1.00 0.61 H new ATOM 0 HA GLN A 14 -28.152 -4.940 7.780 1.00 0.64 H new ATOM 0 HB2 GLN A 14 -25.966 -3.744 9.560 1.00 0.67 H new ATOM 0 HB3 GLN A 14 -27.637 -4.003 10.020 1.00 0.67 H new ATOM 0 HG2 GLN A 14 -26.756 -6.507 8.981 1.00 0.91 H new ATOM 0 HG3 GLN A 14 -25.427 -5.930 9.966 1.00 0.91 H new ATOM 0 HE21 GLN A 14 -25.637 -6.929 11.976 1.00 0.76 H new ATOM 0 HE22 GLN A 14 -27.140 -6.997 12.902 1.00 0.76 H new ATOM 213 N GLU A 15 -26.806 -2.536 6.425 1.00 0.64 N ATOM 214 CA GLU A 15 -26.935 -1.146 5.897 1.00 0.78 C ATOM 215 C GLU A 15 -27.222 -1.204 4.403 1.00 0.79 C ATOM 216 O GLU A 15 -27.137 -2.254 3.798 1.00 0.77 O ATOM 217 CB GLU A 15 -25.616 -0.369 6.126 1.00 0.75 C ATOM 218 CG GLU A 15 -25.593 0.165 7.560 1.00 1.44 C ATOM 219 CD GLU A 15 -26.041 1.627 7.565 1.00 2.18 C ATOM 220 OE1 GLU A 15 -26.868 1.943 6.725 1.00 1.96 O ATOM 221 OE2 GLU A 15 -25.530 2.347 8.408 1.00 3.67 O ATOM 0 H GLU A 15 -26.179 -3.141 5.895 1.00 0.64 H new ATOM 0 HA GLU A 15 -27.748 -0.639 6.417 1.00 0.78 H new ATOM 0 HB2 GLU A 15 -24.760 -1.022 5.954 1.00 0.75 H new ATOM 0 HB3 GLU A 15 -25.537 0.455 5.417 1.00 0.75 H new ATOM 0 HG2 GLU A 15 -26.251 -0.431 8.192 1.00 1.44 H new ATOM 0 HG3 GLU A 15 -24.589 0.079 7.976 1.00 1.44 H new ATOM 228 N ASP A 16 -27.558 -0.087 3.828 1.00 1.07 N ATOM 229 CA ASP A 16 -27.849 -0.093 2.374 1.00 1.09 C ATOM 230 C ASP A 16 -26.569 -0.144 1.549 1.00 0.88 C ATOM 231 O ASP A 16 -25.672 0.657 1.725 1.00 1.39 O ATOM 232 CB ASP A 16 -28.619 1.191 2.028 1.00 1.44 C ATOM 233 CG ASP A 16 -29.864 0.836 1.212 1.00 1.59 C ATOM 234 OD1 ASP A 16 -30.787 0.327 1.826 1.00 1.59 O ATOM 235 OD2 ASP A 16 -29.825 1.101 0.022 1.00 1.75 O ATOM 0 H ASP A 16 -27.643 0.816 4.294 1.00 1.07 H new ATOM 0 HA ASP A 16 -28.438 -0.980 2.139 1.00 1.09 H new ATOM 0 HB2 ASP A 16 -28.906 1.713 2.941 1.00 1.44 H new ATOM 0 HB3 ASP A 16 -27.981 1.869 1.461 1.00 1.44 H new ATOM 240 N GLY A 17 -26.517 -1.097 0.660 1.00 0.48 N ATOM 241 CA GLY A 17 -25.315 -1.242 -0.205 1.00 0.25 C ATOM 242 C GLY A 17 -24.036 -1.295 0.631 1.00 0.12 C ATOM 243 O GLY A 17 -23.043 -0.694 0.274 1.00 0.19 O ATOM 0 H GLY A 17 -27.255 -1.781 0.496 1.00 0.48 H new ATOM 0 HA2 GLY A 17 -25.400 -2.150 -0.802 1.00 0.25 H new ATOM 0 HA3 GLY A 17 -25.262 -0.406 -0.902 1.00 0.25 H new ATOM 247 N GLU A 18 -24.081 -2.014 1.723 1.00 0.03 N ATOM 248 CA GLU A 18 -22.888 -2.114 2.579 1.00 0.15 C ATOM 249 C GLU A 18 -22.147 -3.424 2.298 1.00 0.17 C ATOM 250 O GLU A 18 -22.600 -4.257 1.539 1.00 0.16 O ATOM 251 CB GLU A 18 -23.393 -2.018 4.018 1.00 0.23 C ATOM 252 CG GLU A 18 -22.936 -3.208 4.828 1.00 0.21 C ATOM 253 CD GLU A 18 -23.361 -3.046 6.279 1.00 0.26 C ATOM 254 OE1 GLU A 18 -24.529 -3.239 6.523 1.00 0.79 O ATOM 255 OE2 GLU A 18 -22.486 -2.716 7.061 1.00 1.12 O ATOM 0 H GLU A 18 -24.897 -2.532 2.049 1.00 0.03 H new ATOM 0 HA GLU A 18 -22.168 -1.319 2.385 1.00 0.15 H new ATOM 0 HB2 GLU A 18 -23.027 -1.099 4.476 1.00 0.23 H new ATOM 0 HB3 GLU A 18 -24.482 -1.965 4.023 1.00 0.23 H new ATOM 0 HG2 GLU A 18 -23.361 -4.123 4.416 1.00 0.21 H new ATOM 0 HG3 GLU A 18 -21.852 -3.305 4.767 1.00 0.21 H new ATOM 262 N LEU A 19 -21.031 -3.571 2.937 1.00 0.20 N ATOM 263 CA LEU A 19 -20.202 -4.781 2.768 1.00 0.22 C ATOM 264 C LEU A 19 -20.764 -6.017 3.481 1.00 0.19 C ATOM 265 O LEU A 19 -21.590 -5.920 4.366 1.00 0.17 O ATOM 266 CB LEU A 19 -18.846 -4.456 3.391 1.00 0.26 C ATOM 267 CG LEU A 19 -17.777 -5.231 2.656 1.00 0.31 C ATOM 268 CD1 LEU A 19 -17.542 -4.604 1.282 1.00 0.61 C ATOM 269 CD2 LEU A 19 -16.478 -5.196 3.465 1.00 0.25 C ATOM 0 H LEU A 19 -20.650 -2.884 3.587 1.00 0.20 H new ATOM 0 HA LEU A 19 -20.159 -5.024 1.706 1.00 0.22 H new ATOM 0 HB2 LEU A 19 -18.648 -3.386 3.328 1.00 0.26 H new ATOM 0 HB3 LEU A 19 -18.843 -4.719 4.449 1.00 0.26 H new ATOM 0 HG LEU A 19 -18.099 -6.265 2.529 1.00 0.31 H new ATOM 0 HD11 LEU A 19 -16.771 -5.164 0.753 1.00 0.61 H new ATOM 0 HD12 LEU A 19 -18.468 -4.630 0.707 1.00 0.61 H new ATOM 0 HD13 LEU A 19 -17.220 -3.570 1.404 1.00 0.61 H new ATOM 0 HD21 LEU A 19 -15.705 -5.754 2.937 1.00 0.25 H new ATOM 0 HD22 LEU A 19 -16.156 -4.162 3.592 1.00 0.25 H new ATOM 0 HD23 LEU A 19 -16.646 -5.646 4.443 1.00 0.25 H new ATOM 281 N GLY A 20 -20.284 -7.162 3.055 1.00 0.21 N ATOM 282 CA GLY A 20 -20.734 -8.453 3.654 1.00 0.18 C ATOM 283 C GLY A 20 -19.633 -9.514 3.508 1.00 0.18 C ATOM 284 O GLY A 20 -19.236 -9.824 2.404 1.00 0.20 O ATOM 0 H GLY A 20 -19.593 -7.255 2.310 1.00 0.21 H new ATOM 0 HA2 GLY A 20 -20.975 -8.310 4.707 1.00 0.18 H new ATOM 0 HA3 GLY A 20 -21.645 -8.793 3.162 1.00 0.18 H new ATOM 288 N PHE A 21 -19.159 -10.063 4.607 1.00 0.16 N ATOM 289 CA PHE A 21 -18.088 -11.096 4.490 1.00 0.16 C ATOM 290 C PHE A 21 -18.240 -12.191 5.541 1.00 0.17 C ATOM 291 O PHE A 21 -19.240 -12.259 6.229 1.00 0.19 O ATOM 292 CB PHE A 21 -16.721 -10.429 4.660 1.00 0.16 C ATOM 293 CG PHE A 21 -16.776 -9.442 5.812 1.00 0.17 C ATOM 294 CD1 PHE A 21 -17.312 -8.199 5.615 1.00 0.18 C ATOM 295 CD2 PHE A 21 -16.252 -9.768 7.045 1.00 0.20 C ATOM 296 CE1 PHE A 21 -17.321 -7.276 6.631 1.00 0.19 C ATOM 297 CE2 PHE A 21 -16.246 -8.841 8.075 1.00 0.22 C ATOM 298 CZ PHE A 21 -16.790 -7.592 7.865 1.00 0.20 C ATOM 0 H PHE A 21 -19.462 -9.844 5.556 1.00 0.16 H new ATOM 0 HA PHE A 21 -18.173 -11.556 3.505 1.00 0.16 H new ATOM 0 HB2 PHE A 21 -15.958 -11.184 4.851 1.00 0.16 H new ATOM 0 HB3 PHE A 21 -16.439 -9.915 3.741 1.00 0.16 H new ATOM 0 HD1 PHE A 21 -17.731 -7.942 4.653 1.00 0.18 H new ATOM 0 HD2 PHE A 21 -15.843 -10.754 7.209 1.00 0.20 H new ATOM 0 HE1 PHE A 21 -17.746 -6.297 6.464 1.00 0.19 H new ATOM 0 HE2 PHE A 21 -15.819 -9.095 9.034 1.00 0.22 H new ATOM 0 HZ PHE A 21 -16.801 -6.864 8.663 1.00 0.20 H new ATOM 308 N ARG A 22 -17.231 -13.021 5.650 1.00 0.16 N ATOM 309 CA ARG A 22 -17.283 -14.127 6.645 1.00 0.17 C ATOM 310 C ARG A 22 -15.948 -14.316 7.360 1.00 0.10 C ATOM 311 O ARG A 22 -14.934 -14.474 6.712 1.00 0.14 O ATOM 312 CB ARG A 22 -17.592 -15.426 5.889 1.00 0.24 C ATOM 313 CG ARG A 22 -19.082 -15.488 5.550 1.00 0.48 C ATOM 314 CD ARG A 22 -19.766 -16.484 6.486 1.00 0.78 C ATOM 315 NE ARG A 22 -19.385 -17.865 6.079 1.00 0.94 N ATOM 316 CZ ARG A 22 -20.311 -18.689 5.674 1.00 1.02 C ATOM 317 NH1 ARG A 22 -20.952 -18.418 4.570 1.00 2.29 N ATOM 318 NH2 ARG A 22 -20.562 -19.755 6.382 1.00 1.52 N ATOM 0 H ARG A 22 -16.378 -12.977 5.093 1.00 0.16 H new ATOM 0 HA ARG A 22 -18.043 -13.883 7.388 1.00 0.17 H new ATOM 0 HB2 ARG A 22 -17.000 -15.475 4.975 1.00 0.24 H new ATOM 0 HB3 ARG A 22 -17.312 -16.286 6.497 1.00 0.24 H new ATOM 0 HG2 ARG A 22 -19.533 -14.501 5.656 1.00 0.48 H new ATOM 0 HG3 ARG A 22 -19.219 -15.792 4.512 1.00 0.48 H new ATOM 0 HD2 ARG A 22 -19.467 -16.299 7.518 1.00 0.78 H new ATOM 0 HD3 ARG A 22 -20.848 -16.362 6.441 1.00 0.78 H new ATOM 0 HE ARG A 22 -18.410 -18.163 6.117 1.00 0.94 H new ATOM 0 HH11 ARG A 22 -20.725 -17.575 4.042 1.00 2.29 H new ATOM 0 HH12 ARG A 22 -21.680 -19.049 4.235 1.00 2.29 H new ATOM 0 HH21 ARG A 22 -20.037 -19.934 7.238 1.00 1.52 H new ATOM 0 HH22 ARG A 22 -21.283 -20.410 6.080 1.00 1.52 H new ATOM 332 N ARG A 23 -15.985 -14.270 8.682 1.00 0.04 N ATOM 333 CA ARG A 23 -14.760 -14.445 9.497 1.00 0.08 C ATOM 334 C ARG A 23 -13.591 -15.017 8.710 1.00 0.09 C ATOM 335 O ARG A 23 -13.712 -16.009 8.021 1.00 0.21 O ATOM 336 CB ARG A 23 -15.135 -15.446 10.599 1.00 0.20 C ATOM 337 CG ARG A 23 -14.544 -14.997 11.928 1.00 0.07 C ATOM 338 CD ARG A 23 -13.072 -15.421 12.052 1.00 2.21 C ATOM 339 NE ARG A 23 -12.910 -16.239 13.286 1.00 1.25 N ATOM 340 CZ ARG A 23 -13.199 -17.510 13.257 1.00 0.85 C ATOM 341 NH1 ARG A 23 -14.451 -17.873 13.250 1.00 1.29 N ATOM 342 NH2 ARG A 23 -12.222 -18.376 13.238 1.00 1.83 N ATOM 0 H ARG A 23 -16.835 -14.115 9.224 1.00 0.04 H new ATOM 0 HA ARG A 23 -14.437 -13.473 9.870 1.00 0.08 H new ATOM 0 HB2 ARG A 23 -16.219 -15.522 10.680 1.00 0.20 H new ATOM 0 HB3 ARG A 23 -14.764 -16.438 10.343 1.00 0.20 H new ATOM 0 HG2 ARG A 23 -14.622 -13.913 12.016 1.00 0.07 H new ATOM 0 HG3 ARG A 23 -15.119 -15.426 12.748 1.00 0.07 H new ATOM 0 HD2 ARG A 23 -12.770 -15.995 11.176 1.00 2.21 H new ATOM 0 HD3 ARG A 23 -12.429 -14.542 12.095 1.00 2.21 H new ATOM 0 HE ARG A 23 -12.575 -15.808 14.148 1.00 1.25 H new ATOM 0 HH11 ARG A 23 -15.187 -17.167 13.267 1.00 1.29 H new ATOM 0 HH12 ARG A 23 -14.695 -18.863 13.227 1.00 1.29 H new ATOM 0 HH21 ARG A 23 -11.254 -18.053 13.246 1.00 1.83 H new ATOM 0 HH22 ARG A 23 -12.426 -19.375 13.215 1.00 1.83 H new ATOM 356 N GLY A 24 -12.484 -14.363 8.841 1.00 0.11 N ATOM 357 CA GLY A 24 -11.259 -14.816 8.122 1.00 0.09 C ATOM 358 C GLY A 24 -11.098 -14.009 6.839 1.00 0.10 C ATOM 359 O GLY A 24 -10.022 -13.931 6.282 1.00 0.18 O ATOM 0 H GLY A 24 -12.366 -13.529 9.416 1.00 0.11 H new ATOM 0 HA2 GLY A 24 -10.383 -14.688 8.758 1.00 0.09 H new ATOM 0 HA3 GLY A 24 -11.332 -15.878 7.890 1.00 0.09 H new ATOM 363 N ASP A 25 -12.176 -13.412 6.402 1.00 0.12 N ATOM 364 CA ASP A 25 -12.097 -12.606 5.159 1.00 0.21 C ATOM 365 C ASP A 25 -11.345 -11.323 5.452 1.00 0.17 C ATOM 366 O ASP A 25 -11.747 -10.544 6.296 1.00 0.12 O ATOM 367 CB ASP A 25 -13.516 -12.263 4.697 1.00 0.31 C ATOM 368 CG ASP A 25 -13.768 -12.909 3.333 1.00 0.93 C ATOM 369 OD1 ASP A 25 -13.043 -12.547 2.420 1.00 1.84 O ATOM 370 OD2 ASP A 25 -14.666 -13.731 3.281 1.00 1.30 O ATOM 0 H ASP A 25 -13.093 -13.449 6.848 1.00 0.12 H new ATOM 0 HA ASP A 25 -11.581 -13.168 4.381 1.00 0.21 H new ATOM 0 HB2 ASP A 25 -14.245 -12.622 5.424 1.00 0.31 H new ATOM 0 HB3 ASP A 25 -13.639 -11.182 4.630 1.00 0.31 H new ATOM 375 N PHE A 26 -10.267 -11.118 4.760 1.00 0.21 N ATOM 376 CA PHE A 26 -9.493 -9.898 4.998 1.00 0.22 C ATOM 377 C PHE A 26 -10.138 -8.666 4.383 1.00 0.20 C ATOM 378 O PHE A 26 -10.162 -8.512 3.177 1.00 0.22 O ATOM 379 CB PHE A 26 -8.125 -10.088 4.349 1.00 0.29 C ATOM 380 CG PHE A 26 -7.594 -11.494 4.634 1.00 0.35 C ATOM 381 CD1 PHE A 26 -7.968 -12.563 3.839 1.00 0.40 C ATOM 382 CD2 PHE A 26 -6.722 -11.710 5.684 1.00 0.38 C ATOM 383 CE1 PHE A 26 -7.476 -13.828 4.095 1.00 0.48 C ATOM 384 CE2 PHE A 26 -6.231 -12.973 5.939 1.00 0.44 C ATOM 385 CZ PHE A 26 -6.608 -14.031 5.145 1.00 0.49 C ATOM 0 H PHE A 26 -9.897 -11.744 4.045 1.00 0.21 H new ATOM 0 HA PHE A 26 -9.432 -9.738 6.074 1.00 0.22 H new ATOM 0 HB2 PHE A 26 -8.200 -9.931 3.273 1.00 0.29 H new ATOM 0 HB3 PHE A 26 -7.427 -9.344 4.731 1.00 0.29 H new ATOM 0 HD1 PHE A 26 -8.648 -12.408 3.014 1.00 0.40 H new ATOM 0 HD2 PHE A 26 -6.423 -10.883 6.310 1.00 0.38 H new ATOM 0 HE1 PHE A 26 -7.772 -14.659 3.471 1.00 0.48 H new ATOM 0 HE2 PHE A 26 -5.550 -13.132 6.762 1.00 0.44 H new ATOM 0 HZ PHE A 26 -6.224 -15.020 5.345 1.00 0.49 H new ATOM 395 N ILE A 27 -10.651 -7.805 5.220 1.00 0.18 N ATOM 396 CA ILE A 27 -11.282 -6.589 4.689 1.00 0.17 C ATOM 397 C ILE A 27 -10.167 -5.651 4.228 1.00 0.21 C ATOM 398 O ILE A 27 -9.117 -5.618 4.845 1.00 0.31 O ATOM 399 CB ILE A 27 -12.112 -5.910 5.834 1.00 0.15 C ATOM 400 CG1 ILE A 27 -13.537 -5.746 5.399 1.00 0.14 C ATOM 401 CG2 ILE A 27 -11.560 -4.502 6.142 1.00 0.21 C ATOM 402 CD1 ILE A 27 -14.213 -7.100 5.599 1.00 0.19 C ATOM 0 H ILE A 27 -10.655 -7.899 6.236 1.00 0.18 H new ATOM 0 HA ILE A 27 -11.946 -6.820 3.856 1.00 0.17 H new ATOM 0 HB ILE A 27 -12.043 -6.544 6.718 1.00 0.15 H new ATOM 0 HG12 ILE A 27 -14.035 -4.974 5.986 1.00 0.14 H new ATOM 0 HG13 ILE A 27 -13.590 -5.437 4.355 1.00 0.14 H new ATOM 0 HG21 ILE A 27 -12.148 -4.047 6.939 1.00 0.21 H new ATOM 0 HG22 ILE A 27 -10.520 -4.580 6.458 1.00 0.21 H new ATOM 0 HG23 ILE A 27 -11.621 -3.883 5.247 1.00 0.21 H new ATOM 0 HD11 ILE A 27 -15.258 -7.033 5.295 1.00 0.19 H new ATOM 0 HD12 ILE A 27 -13.707 -7.852 4.994 1.00 0.19 H new ATOM 0 HD13 ILE A 27 -14.158 -7.382 6.650 1.00 0.19 H new ATOM 414 N HIS A 28 -10.372 -4.944 3.146 1.00 0.15 N ATOM 415 CA HIS A 28 -9.298 -4.025 2.692 1.00 0.19 C ATOM 416 C HIS A 28 -9.665 -2.633 3.121 1.00 0.16 C ATOM 417 O HIS A 28 -10.414 -1.953 2.464 1.00 0.17 O ATOM 418 CB HIS A 28 -9.149 -4.022 1.177 1.00 0.28 C ATOM 419 CG HIS A 28 -7.969 -3.098 0.848 1.00 0.42 C ATOM 420 ND1 HIS A 28 -6.733 -2.986 1.468 1.00 0.54 N flip ATOM 421 CD2 HIS A 28 -7.967 -2.197 -0.043 1.00 0.52 C flip ATOM 422 CE1 HIS A 28 -6.032 -1.996 0.902 1.00 0.72 C flip ATOM 423 NE2 HIS A 28 -6.859 -1.549 -0.027 1.00 0.71 N flip ATOM 0 H HIS A 28 -11.216 -4.964 2.573 1.00 0.15 H new ATOM 0 HA HIS A 28 -8.357 -4.360 3.129 1.00 0.19 H new ATOM 0 HB2 HIS A 28 -8.966 -5.030 0.805 1.00 0.28 H new ATOM 0 HB3 HIS A 28 -10.062 -3.667 0.700 1.00 0.28 H new ATOM 0 HD1 HIS A 28 -6.408 -3.570 2.239 1.00 0.54 H new ATOM 0 HD2 HIS A 28 -8.784 -2.001 -0.722 1.00 0.52 H new ATOM 0 HE1 HIS A 28 -5.038 -1.649 1.144 1.00 0.72 H new ATOM 431 N VAL A 29 -9.104 -2.236 4.203 1.00 0.19 N ATOM 432 CA VAL A 29 -9.399 -0.883 4.721 1.00 0.20 C ATOM 433 C VAL A 29 -8.851 0.182 3.793 1.00 0.18 C ATOM 434 O VAL A 29 -7.707 0.578 3.878 1.00 0.17 O ATOM 435 CB VAL A 29 -8.761 -0.736 6.107 1.00 0.33 C ATOM 436 CG1 VAL A 29 -9.362 0.489 6.797 1.00 0.41 C ATOM 437 CG2 VAL A 29 -9.071 -1.983 6.951 1.00 0.36 C ATOM 0 H VAL A 29 -8.450 -2.786 4.760 1.00 0.19 H new ATOM 0 HA VAL A 29 -10.479 -0.754 4.786 1.00 0.20 H new ATOM 0 HB VAL A 29 -7.682 -0.623 6.004 1.00 0.33 H new ATOM 0 HG11 VAL A 29 -8.916 0.605 7.785 1.00 0.41 H new ATOM 0 HG12 VAL A 29 -9.159 1.379 6.201 1.00 0.41 H new ATOM 0 HG13 VAL A 29 -10.439 0.358 6.898 1.00 0.41 H new ATOM 0 HG21 VAL A 29 -8.617 -1.878 7.936 1.00 0.36 H new ATOM 0 HG22 VAL A 29 -10.150 -2.090 7.058 1.00 0.36 H new ATOM 0 HG23 VAL A 29 -8.666 -2.866 6.457 1.00 0.36 H new ATOM 447 N MET A 30 -9.704 0.636 2.932 1.00 0.25 N ATOM 448 CA MET A 30 -9.287 1.678 1.966 1.00 0.32 C ATOM 449 C MET A 30 -9.343 3.067 2.590 1.00 0.26 C ATOM 450 O MET A 30 -8.610 3.949 2.188 1.00 0.30 O ATOM 451 CB MET A 30 -10.236 1.640 0.767 1.00 0.44 C ATOM 452 CG MET A 30 -9.605 2.417 -0.394 1.00 0.66 C ATOM 453 SD MET A 30 -10.668 2.830 -1.799 1.00 0.89 S ATOM 454 CE MET A 30 -10.922 1.147 -2.416 1.00 0.66 C ATOM 0 H MET A 30 -10.674 0.331 2.854 1.00 0.25 H new ATOM 0 HA MET A 30 -8.260 1.478 1.662 1.00 0.32 H new ATOM 0 HB2 MET A 30 -10.426 0.609 0.470 1.00 0.44 H new ATOM 0 HB3 MET A 30 -11.198 2.078 1.034 1.00 0.44 H new ATOM 0 HG2 MET A 30 -9.199 3.346 0.005 1.00 0.66 H new ATOM 0 HG3 MET A 30 -8.763 1.836 -0.769 1.00 0.66 H new ATOM 0 HE1 MET A 30 -11.548 1.177 -3.308 1.00 0.66 H new ATOM 0 HE2 MET A 30 -9.959 0.701 -2.664 1.00 0.66 H new ATOM 0 HE3 MET A 30 -11.413 0.548 -1.649 1.00 0.66 H new ATOM 464 N ASP A 31 -10.198 3.254 3.566 1.00 0.23 N ATOM 465 CA ASP A 31 -10.262 4.603 4.177 1.00 0.31 C ATOM 466 C ASP A 31 -10.906 4.572 5.554 1.00 0.21 C ATOM 467 O ASP A 31 -12.084 4.834 5.693 1.00 0.33 O ATOM 468 CB ASP A 31 -11.107 5.503 3.271 1.00 0.40 C ATOM 469 CG ASP A 31 -11.437 6.797 4.014 1.00 1.25 C ATOM 470 OD1 ASP A 31 -10.533 7.608 4.112 1.00 1.65 O ATOM 471 OD2 ASP A 31 -12.574 6.898 4.446 1.00 1.87 O ATOM 0 H ASP A 31 -10.831 2.553 3.951 1.00 0.23 H new ATOM 0 HA ASP A 31 -9.244 4.977 4.284 1.00 0.31 H new ATOM 0 HB2 ASP A 31 -10.565 5.726 2.352 1.00 0.40 H new ATOM 0 HB3 ASP A 31 -12.025 4.991 2.983 1.00 0.40 H new ATOM 476 N ASN A 32 -10.127 4.259 6.550 1.00 0.12 N ATOM 477 CA ASN A 32 -10.704 4.220 7.910 1.00 0.15 C ATOM 478 C ASN A 32 -11.408 5.541 8.185 1.00 0.17 C ATOM 479 O ASN A 32 -10.775 6.518 8.534 1.00 0.26 O ATOM 480 CB ASN A 32 -9.565 4.040 8.919 1.00 0.27 C ATOM 481 CG ASN A 32 -8.395 4.935 8.509 1.00 0.28 C ATOM 482 OD1 ASN A 32 -7.551 4.553 7.723 1.00 1.49 O ATOM 483 ND2 ASN A 32 -8.310 6.136 9.012 1.00 1.58 N ATOM 0 H ASN A 32 -9.135 4.033 6.480 1.00 0.12 H new ATOM 0 HA ASN A 32 -11.414 3.398 7.996 1.00 0.15 H new ATOM 0 HB2 ASN A 32 -9.905 4.299 9.922 1.00 0.27 H new ATOM 0 HB3 ASN A 32 -9.249 2.997 8.949 1.00 0.27 H new ATOM 0 HD21 ASN A 32 -7.539 6.747 8.745 1.00 1.58 H new ATOM 0 HD22 ASN A 32 -9.015 6.463 9.672 1.00 1.58 H new ATOM 490 N SER A 33 -12.707 5.551 8.037 1.00 0.19 N ATOM 491 CA SER A 33 -13.451 6.808 8.283 1.00 0.20 C ATOM 492 C SER A 33 -13.996 6.865 9.696 1.00 0.16 C ATOM 493 O SER A 33 -13.448 7.529 10.555 1.00 0.25 O ATOM 494 CB SER A 33 -14.630 6.867 7.305 1.00 0.27 C ATOM 495 OG SER A 33 -15.639 7.565 8.021 1.00 2.06 O ATOM 0 H SER A 33 -13.274 4.750 7.759 1.00 0.19 H new ATOM 0 HA SER A 33 -12.770 7.648 8.144 1.00 0.20 H new ATOM 0 HB2 SER A 33 -14.360 7.388 6.386 1.00 0.27 H new ATOM 0 HB3 SER A 33 -14.962 5.869 7.020 1.00 0.27 H new ATOM 0 HG SER A 33 -16.439 7.650 7.461 1.00 2.06 H new ATOM 501 N ASP A 34 -15.067 6.166 9.912 1.00 0.14 N ATOM 502 CA ASP A 34 -15.665 6.169 11.261 1.00 0.16 C ATOM 503 C ASP A 34 -14.819 5.363 12.252 1.00 0.17 C ATOM 504 O ASP A 34 -14.027 4.529 11.866 1.00 0.18 O ATOM 505 CB ASP A 34 -17.042 5.501 11.185 1.00 0.23 C ATOM 506 CG ASP A 34 -18.118 6.562 10.954 1.00 0.31 C ATOM 507 OD1 ASP A 34 -18.088 7.141 9.881 1.00 0.62 O ATOM 508 OD2 ASP A 34 -18.909 6.736 11.867 1.00 0.23 O ATOM 0 H ASP A 34 -15.550 5.597 9.216 1.00 0.14 H new ATOM 0 HA ASP A 34 -15.728 7.203 11.601 1.00 0.16 H new ATOM 0 HB2 ASP A 34 -17.058 4.771 10.376 1.00 0.23 H new ATOM 0 HB3 ASP A 34 -17.245 4.958 12.108 1.00 0.23 H new ATOM 513 N PRO A 35 -14.992 5.645 13.522 1.00 0.18 N ATOM 514 CA PRO A 35 -14.247 4.943 14.581 1.00 0.19 C ATOM 515 C PRO A 35 -14.610 3.457 14.625 1.00 0.19 C ATOM 516 O PRO A 35 -13.788 2.603 14.355 1.00 0.23 O ATOM 517 CB PRO A 35 -14.740 5.600 15.880 1.00 0.20 C ATOM 518 CG PRO A 35 -15.970 6.460 15.509 1.00 0.20 C ATOM 519 CD PRO A 35 -15.889 6.713 14.013 1.00 0.18 C ATOM 0 HA PRO A 35 -13.170 5.011 14.424 1.00 0.19 H new ATOM 0 HB2 PRO A 35 -15.006 4.844 16.618 1.00 0.20 H new ATOM 0 HB3 PRO A 35 -13.957 6.216 16.322 1.00 0.20 H new ATOM 0 HG2 PRO A 35 -16.895 5.943 15.765 1.00 0.20 H new ATOM 0 HG3 PRO A 35 -15.966 7.400 16.061 1.00 0.20 H new ATOM 0 HD2 PRO A 35 -16.871 6.657 13.544 1.00 0.18 H new ATOM 0 HD3 PRO A 35 -15.488 7.703 13.796 1.00 0.18 H new ATOM 527 N ASN A 36 -15.846 3.183 14.956 1.00 0.17 N ATOM 528 CA ASN A 36 -16.291 1.769 15.030 1.00 0.16 C ATOM 529 C ASN A 36 -16.796 1.265 13.671 1.00 0.14 C ATOM 530 O ASN A 36 -17.314 0.170 13.567 1.00 0.12 O ATOM 531 CB ASN A 36 -17.414 1.673 16.074 1.00 0.21 C ATOM 532 CG ASN A 36 -17.362 0.300 16.747 1.00 1.01 C ATOM 533 OD1 ASN A 36 -17.019 0.175 17.905 1.00 2.80 O ATOM 534 ND2 ASN A 36 -17.695 -0.757 16.055 1.00 0.49 N ATOM 0 H ASN A 36 -16.560 3.878 15.176 1.00 0.17 H new ATOM 0 HA ASN A 36 -15.445 1.144 15.315 1.00 0.16 H new ATOM 0 HB2 ASN A 36 -17.302 2.461 16.819 1.00 0.21 H new ATOM 0 HB3 ASN A 36 -18.383 1.821 15.597 1.00 0.21 H new ATOM 0 HD21 ASN A 36 -17.666 -1.680 16.488 1.00 0.49 H new ATOM 0 HD22 ASN A 36 -17.984 -0.659 15.082 1.00 0.49 H new ATOM 541 N TRP A 37 -16.635 2.078 12.659 1.00 0.15 N ATOM 542 CA TRP A 37 -17.080 1.691 11.303 1.00 0.14 C ATOM 543 C TRP A 37 -16.022 2.162 10.317 1.00 0.18 C ATOM 544 O TRP A 37 -15.389 3.169 10.536 1.00 0.25 O ATOM 545 CB TRP A 37 -18.425 2.344 10.972 1.00 0.10 C ATOM 546 CG TRP A 37 -19.535 1.431 11.488 1.00 0.11 C ATOM 547 CD1 TRP A 37 -19.902 1.381 12.768 1.00 0.13 C ATOM 548 CD2 TRP A 37 -20.260 0.576 10.767 1.00 0.12 C ATOM 549 NE1 TRP A 37 -20.876 0.474 12.788 1.00 0.13 N ATOM 550 CE2 TRP A 37 -21.164 -0.081 11.590 1.00 0.12 C ATOM 551 CE3 TRP A 37 -20.205 0.256 9.427 1.00 0.13 C ATOM 552 CZ2 TRP A 37 -22.007 -1.041 11.080 1.00 0.12 C ATOM 553 CZ3 TRP A 37 -21.051 -0.717 8.918 1.00 0.16 C ATOM 554 CH2 TRP A 37 -21.951 -1.360 9.744 1.00 0.14 C ATOM 0 H TRP A 37 -16.208 3.002 12.723 1.00 0.15 H new ATOM 0 HA TRP A 37 -17.208 0.610 11.246 1.00 0.14 H new ATOM 0 HB2 TRP A 37 -18.495 3.328 11.436 1.00 0.10 H new ATOM 0 HB3 TRP A 37 -18.522 2.491 9.896 1.00 0.10 H new ATOM 0 HD1 TRP A 37 -19.502 1.946 13.597 1.00 0.13 H new ATOM 0 HE1 TRP A 37 -21.368 0.217 13.644 1.00 0.13 H new ATOM 0 HE3 TRP A 37 -19.506 0.761 8.777 1.00 0.13 H new ATOM 0 HZ2 TRP A 37 -22.711 -1.543 11.727 1.00 0.12 H new ATOM 0 HZ3 TRP A 37 -21.006 -0.973 7.870 1.00 0.16 H new ATOM 0 HH2 TRP A 37 -22.611 -2.114 9.341 1.00 0.14 H new ATOM 565 N TRP A 38 -15.843 1.439 9.260 1.00 0.20 N ATOM 566 CA TRP A 38 -14.812 1.849 8.262 1.00 0.19 C ATOM 567 C TRP A 38 -15.230 1.506 6.832 1.00 0.21 C ATOM 568 O TRP A 38 -16.246 0.876 6.615 1.00 0.30 O ATOM 569 CB TRP A 38 -13.539 1.064 8.570 1.00 0.15 C ATOM 570 CG TRP A 38 -12.675 1.727 9.671 1.00 0.11 C ATOM 571 CD1 TRP A 38 -12.727 3.011 10.115 1.00 0.21 C ATOM 572 CD2 TRP A 38 -11.675 1.102 10.272 1.00 0.12 C ATOM 573 NE1 TRP A 38 -11.712 3.079 10.984 1.00 0.29 N ATOM 574 CE2 TRP A 38 -11.000 1.935 11.138 1.00 0.26 C ATOM 575 CE3 TRP A 38 -11.282 -0.200 10.099 1.00 0.08 C ATOM 576 CZ2 TRP A 38 -9.908 1.454 11.834 1.00 0.36 C ATOM 577 CZ3 TRP A 38 -10.191 -0.684 10.790 1.00 0.18 C ATOM 578 CH2 TRP A 38 -9.504 0.142 11.659 1.00 0.31 C ATOM 0 H TRP A 38 -16.357 0.587 9.037 1.00 0.20 H new ATOM 0 HA TRP A 38 -14.673 2.928 8.331 1.00 0.19 H new ATOM 0 HB2 TRP A 38 -13.807 0.055 8.884 1.00 0.15 H new ATOM 0 HB3 TRP A 38 -12.948 0.968 7.659 1.00 0.15 H new ATOM 0 HD1 TRP A 38 -13.421 3.789 9.834 1.00 0.21 H new ATOM 0 HE1 TRP A 38 -11.489 3.933 11.496 1.00 0.29 H new ATOM 0 HE3 TRP A 38 -11.825 -0.845 9.424 1.00 0.08 H new ATOM 0 HZ2 TRP A 38 -9.371 2.100 12.513 1.00 0.36 H new ATOM 0 HZ3 TRP A 38 -9.874 -1.707 10.652 1.00 0.18 H new ATOM 0 HH2 TRP A 38 -8.651 -0.237 12.202 1.00 0.31 H new ATOM 589 N LYS A 39 -14.423 1.930 5.880 1.00 0.16 N ATOM 590 CA LYS A 39 -14.735 1.644 4.453 1.00 0.18 C ATOM 591 C LYS A 39 -13.628 0.758 3.909 1.00 0.13 C ATOM 592 O LYS A 39 -12.465 1.011 4.160 1.00 0.15 O ATOM 593 CB LYS A 39 -14.756 2.964 3.672 1.00 0.22 C ATOM 594 CG LYS A 39 -15.261 2.690 2.244 1.00 0.74 C ATOM 595 CD LYS A 39 -16.612 3.387 1.999 1.00 1.56 C ATOM 596 CE LYS A 39 -17.392 2.621 0.928 1.00 1.22 C ATOM 597 NZ LYS A 39 -18.269 3.546 0.155 1.00 1.55 N ATOM 0 H LYS A 39 -13.566 2.460 6.038 1.00 0.16 H new ATOM 0 HA LYS A 39 -15.703 1.153 4.357 1.00 0.18 H new ATOM 0 HB2 LYS A 39 -15.404 3.686 4.169 1.00 0.22 H new ATOM 0 HB3 LYS A 39 -13.757 3.400 3.642 1.00 0.22 H new ATOM 0 HG2 LYS A 39 -14.527 3.044 1.520 1.00 0.74 H new ATOM 0 HG3 LYS A 39 -15.368 1.616 2.091 1.00 0.74 H new ATOM 0 HD2 LYS A 39 -17.186 3.427 2.924 1.00 1.56 H new ATOM 0 HD3 LYS A 39 -16.450 4.417 1.680 1.00 1.56 H new ATOM 0 HE2 LYS A 39 -16.698 2.121 0.253 1.00 1.22 H new ATOM 0 HE3 LYS A 39 -17.997 1.844 1.396 1.00 1.22 H new ATOM 0 HZ1 LYS A 39 -18.790 3.008 -0.567 1.00 1.55 H new ATOM 0 HZ2 LYS A 39 -18.944 4.004 0.800 1.00 1.55 H new ATOM 0 HZ3 LYS A 39 -17.685 4.272 -0.308 1.00 1.55 H new ATOM 611 N GLY A 40 -13.972 -0.261 3.173 1.00 0.23 N ATOM 612 CA GLY A 40 -12.908 -1.120 2.653 1.00 0.23 C ATOM 613 C GLY A 40 -13.437 -1.946 1.512 1.00 0.34 C ATOM 614 O GLY A 40 -14.266 -1.503 0.744 1.00 0.43 O ATOM 0 H GLY A 40 -14.925 -0.522 2.921 1.00 0.23 H new ATOM 0 HA2 GLY A 40 -12.068 -0.512 2.316 1.00 0.23 H new ATOM 0 HA3 GLY A 40 -12.534 -1.771 3.443 1.00 0.23 H new ATOM 618 N ALA A 41 -12.946 -3.135 1.426 1.00 0.32 N ATOM 619 CA ALA A 41 -13.407 -4.006 0.342 1.00 0.43 C ATOM 620 C ALA A 41 -13.009 -5.457 0.561 1.00 0.45 C ATOM 621 O ALA A 41 -12.055 -5.750 1.251 1.00 0.74 O ATOM 622 CB ALA A 41 -12.786 -3.473 -0.937 1.00 0.46 C ATOM 0 H ALA A 41 -12.251 -3.537 2.055 1.00 0.32 H new ATOM 0 HA ALA A 41 -14.496 -3.996 0.296 1.00 0.43 H new ATOM 0 HB1 ALA A 41 -13.100 -4.090 -1.779 1.00 0.46 H new ATOM 0 HB2 ALA A 41 -13.112 -2.446 -1.099 1.00 0.46 H new ATOM 0 HB3 ALA A 41 -11.700 -3.500 -0.853 1.00 0.46 H new ATOM 628 N CYS A 42 -13.757 -6.339 -0.038 1.00 0.15 N ATOM 629 CA CYS A 42 -13.441 -7.782 0.125 1.00 0.15 C ATOM 630 C CYS A 42 -13.977 -8.614 -1.039 1.00 0.13 C ATOM 631 O CYS A 42 -13.355 -8.699 -2.077 1.00 0.19 O ATOM 632 CB CYS A 42 -14.112 -8.264 1.409 1.00 0.17 C ATOM 633 SG CYS A 42 -14.069 -10.040 1.756 1.00 0.20 S ATOM 0 H CYS A 42 -14.563 -6.127 -0.626 1.00 0.15 H new ATOM 0 HA CYS A 42 -12.358 -7.902 0.158 1.00 0.15 H new ATOM 0 HB2 CYS A 42 -13.646 -7.746 2.247 1.00 0.17 H new ATOM 0 HB3 CYS A 42 -15.156 -7.952 1.381 1.00 0.17 H new ATOM 0 HG CYS A 42 -12.840 -10.413 1.958 1.00 0.20 H new ATOM 639 N HIS A 43 -15.119 -9.222 -0.834 1.00 0.30 N ATOM 640 CA HIS A 43 -15.711 -10.057 -1.915 1.00 0.33 C ATOM 641 C HIS A 43 -15.875 -9.251 -3.203 1.00 0.30 C ATOM 642 O HIS A 43 -16.954 -8.784 -3.517 1.00 0.29 O ATOM 643 CB HIS A 43 -17.090 -10.545 -1.453 1.00 0.43 C ATOM 644 CG HIS A 43 -17.795 -9.422 -0.695 1.00 0.45 C ATOM 645 ND1 HIS A 43 -18.704 -8.678 -1.174 1.00 0.51 N ATOM 646 CD2 HIS A 43 -17.611 -8.976 0.597 1.00 0.46 C ATOM 647 CE1 HIS A 43 -19.088 -7.824 -0.304 1.00 0.53 C ATOM 648 NE2 HIS A 43 -18.441 -7.950 0.842 1.00 0.48 N ATOM 0 H HIS A 43 -15.661 -9.175 0.029 1.00 0.30 H new ATOM 0 HA HIS A 43 -15.047 -10.898 -2.116 1.00 0.33 H new ATOM 0 HB2 HIS A 43 -17.687 -10.850 -2.312 1.00 0.43 H new ATOM 0 HB3 HIS A 43 -16.983 -11.420 -0.812 1.00 0.43 H new ATOM 0 HD1 HIS A 43 -19.076 -8.751 -2.121 1.00 0.51 H new ATOM 0 HD2 HIS A 43 -16.907 -9.389 1.304 1.00 0.46 H new ATOM 0 HE1 HIS A 43 -19.854 -7.084 -0.484 1.00 0.53 H new ATOM 656 N GLY A 44 -14.796 -9.111 -3.922 1.00 0.35 N ATOM 657 CA GLY A 44 -14.837 -8.344 -5.199 1.00 0.37 C ATOM 658 C GLY A 44 -15.738 -7.112 -5.095 1.00 0.37 C ATOM 659 O GLY A 44 -16.277 -6.662 -6.087 1.00 0.48 O ATOM 0 H GLY A 44 -13.883 -9.497 -3.679 1.00 0.35 H new ATOM 0 HA2 GLY A 44 -13.828 -8.034 -5.469 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -15.197 -8.990 -6.000 1.00 0.37 H new ATOM 663 N GLN A 45 -15.899 -6.581 -3.910 1.00 0.30 N ATOM 664 CA GLN A 45 -16.771 -5.380 -3.791 1.00 0.31 C ATOM 665 C GLN A 45 -16.402 -4.530 -2.579 1.00 0.28 C ATOM 666 O GLN A 45 -15.883 -5.028 -1.598 1.00 0.33 O ATOM 667 CB GLN A 45 -18.224 -5.843 -3.639 1.00 0.32 C ATOM 668 CG GLN A 45 -19.141 -4.897 -4.416 1.00 0.24 C ATOM 669 CD GLN A 45 -20.548 -4.965 -3.821 1.00 0.93 C ATOM 670 OE1 GLN A 45 -20.897 -6.027 -3.148 1.00 2.55 O flip ATOM 671 NE2 GLN A 45 -21.342 -4.057 -3.968 1.00 2.36 N flip ATOM 0 H GLN A 45 -15.477 -6.917 -3.044 1.00 0.30 H new ATOM 0 HA GLN A 45 -16.638 -4.773 -4.687 1.00 0.31 H new ATOM 0 HB2 GLN A 45 -18.334 -6.862 -4.011 1.00 0.32 H new ATOM 0 HB3 GLN A 45 -18.505 -5.857 -2.586 1.00 0.32 H new ATOM 0 HG2 GLN A 45 -18.760 -3.877 -4.365 1.00 0.24 H new ATOM 0 HG3 GLN A 45 -19.164 -5.176 -5.469 1.00 0.24 H new ATOM 0 HE21 GLN A 45 -21.074 -3.225 -4.493 1.00 2.36 H new ATOM 0 HE22 GLN A 45 -22.277 -4.127 -3.566 1.00 2.36 H new ATOM 680 N THR A 46 -16.685 -3.260 -2.673 1.00 0.25 N ATOM 681 CA THR A 46 -16.371 -2.346 -1.556 1.00 0.22 C ATOM 682 C THR A 46 -17.604 -2.101 -0.699 1.00 0.26 C ATOM 683 O THR A 46 -18.643 -2.695 -0.908 1.00 0.31 O ATOM 684 CB THR A 46 -15.948 -1.011 -2.144 1.00 0.27 C ATOM 685 OG1 THR A 46 -16.812 -0.789 -3.242 1.00 0.36 O ATOM 686 CG2 THR A 46 -14.550 -1.083 -2.752 1.00 0.21 C ATOM 0 H THR A 46 -17.123 -2.820 -3.483 1.00 0.25 H new ATOM 0 HA THR A 46 -15.586 -2.790 -0.944 1.00 0.22 H new ATOM 0 HB THR A 46 -15.975 -0.250 -1.365 1.00 0.27 H new ATOM 0 HG1 THR A 46 -16.589 0.066 -3.666 1.00 0.36 H new ATOM 0 HG21 THR A 46 -14.281 -0.110 -3.163 1.00 0.21 H new ATOM 0 HG22 THR A 46 -13.832 -1.362 -1.981 1.00 0.21 H new ATOM 0 HG23 THR A 46 -14.537 -1.829 -3.547 1.00 0.21 H new ATOM 694 N GLY A 47 -17.463 -1.216 0.246 1.00 0.25 N ATOM 695 CA GLY A 47 -18.620 -0.907 1.139 1.00 0.28 C ATOM 696 C GLY A 47 -18.146 -0.596 2.560 1.00 0.28 C ATOM 697 O GLY A 47 -16.967 -0.434 2.804 1.00 0.28 O ATOM 0 H GLY A 47 -16.607 -0.696 0.440 1.00 0.25 H new ATOM 0 HA2 GLY A 47 -19.174 -0.056 0.742 1.00 0.28 H new ATOM 0 HA3 GLY A 47 -19.306 -1.754 1.158 1.00 0.28 H new ATOM 701 N MET A 48 -19.087 -0.522 3.464 1.00 0.28 N ATOM 702 CA MET A 48 -18.743 -0.224 4.880 1.00 0.27 C ATOM 703 C MET A 48 -18.961 -1.443 5.761 1.00 0.26 C ATOM 704 O MET A 48 -19.795 -2.284 5.483 1.00 0.31 O ATOM 705 CB MET A 48 -19.667 0.891 5.368 1.00 0.23 C ATOM 706 CG MET A 48 -19.351 2.165 4.585 1.00 0.26 C ATOM 707 SD MET A 48 -20.159 3.693 5.116 1.00 0.28 S ATOM 708 CE MET A 48 -18.893 4.201 6.305 1.00 0.21 C ATOM 0 H MET A 48 -20.081 -0.656 3.279 1.00 0.28 H new ATOM 0 HA MET A 48 -17.694 0.068 4.937 1.00 0.27 H new ATOM 0 HB2 MET A 48 -20.710 0.608 5.225 1.00 0.23 H new ATOM 0 HB3 MET A 48 -19.526 1.059 6.436 1.00 0.23 H new ATOM 0 HG2 MET A 48 -18.273 2.324 4.622 1.00 0.26 H new ATOM 0 HG3 MET A 48 -19.612 1.992 3.541 1.00 0.26 H new ATOM 0 HE1 MET A 48 -19.186 5.143 6.768 1.00 0.21 H new ATOM 0 HE2 MET A 48 -18.788 3.436 7.074 1.00 0.21 H new ATOM 0 HE3 MET A 48 -17.941 4.330 5.790 1.00 0.21 H new ATOM 718 N PHE A 49 -18.199 -1.510 6.808 1.00 0.22 N ATOM 719 CA PHE A 49 -18.325 -2.654 7.733 1.00 0.22 C ATOM 720 C PHE A 49 -17.892 -2.214 9.135 1.00 0.21 C ATOM 721 O PHE A 49 -17.030 -1.367 9.259 1.00 0.23 O ATOM 722 CB PHE A 49 -17.376 -3.759 7.263 1.00 0.22 C ATOM 723 CG PHE A 49 -15.948 -3.223 7.271 1.00 0.22 C ATOM 724 CD1 PHE A 49 -15.562 -2.254 6.369 1.00 0.27 C ATOM 725 CD2 PHE A 49 -15.046 -3.632 8.235 1.00 0.21 C ATOM 726 CE1 PHE A 49 -14.312 -1.700 6.445 1.00 0.27 C ATOM 727 CE2 PHE A 49 -13.815 -3.066 8.305 1.00 0.25 C ATOM 728 CZ PHE A 49 -13.441 -2.111 7.418 1.00 0.25 C ATOM 0 H PHE A 49 -17.493 -0.819 7.062 1.00 0.22 H new ATOM 0 HA PHE A 49 -19.356 -3.009 7.752 1.00 0.22 H new ATOM 0 HB2 PHE A 49 -17.456 -4.627 7.917 1.00 0.22 H new ATOM 0 HB3 PHE A 49 -17.649 -4.089 6.261 1.00 0.22 H new ATOM 0 HD1 PHE A 49 -16.248 -1.931 5.600 1.00 0.27 H new ATOM 0 HD2 PHE A 49 -15.322 -4.406 8.936 1.00 0.21 H new ATOM 0 HE1 PHE A 49 -14.014 -0.940 5.738 1.00 0.27 H new ATOM 0 HE2 PHE A 49 -13.126 -3.379 9.075 1.00 0.25 H new ATOM 0 HZ PHE A 49 -12.455 -1.674 7.479 1.00 0.25 H new ATOM 738 N PRO A 50 -18.477 -2.771 10.173 1.00 0.18 N ATOM 739 CA PRO A 50 -18.090 -2.381 11.528 1.00 0.16 C ATOM 740 C PRO A 50 -16.608 -2.661 11.748 1.00 0.18 C ATOM 741 O PRO A 50 -16.133 -3.747 11.491 1.00 0.23 O ATOM 742 CB PRO A 50 -18.936 -3.259 12.454 1.00 0.14 C ATOM 743 CG PRO A 50 -19.896 -4.085 11.563 1.00 0.15 C ATOM 744 CD PRO A 50 -19.532 -3.804 10.104 1.00 0.18 C ATOM 0 HA PRO A 50 -18.251 -1.319 11.712 1.00 0.16 H new ATOM 0 HB2 PRO A 50 -18.300 -3.918 13.045 1.00 0.14 H new ATOM 0 HB3 PRO A 50 -19.499 -2.644 13.157 1.00 0.14 H new ATOM 0 HG2 PRO A 50 -19.802 -5.148 11.783 1.00 0.15 H new ATOM 0 HG3 PRO A 50 -20.932 -3.809 11.759 1.00 0.15 H new ATOM 0 HD2 PRO A 50 -19.173 -4.704 9.605 1.00 0.18 H new ATOM 0 HD3 PRO A 50 -20.396 -3.451 9.541 1.00 0.18 H new ATOM 752 N ARG A 51 -15.905 -1.674 12.206 1.00 0.20 N ATOM 753 CA ARG A 51 -14.455 -1.877 12.444 1.00 0.30 C ATOM 754 C ARG A 51 -14.228 -2.958 13.497 1.00 0.39 C ATOM 755 O ARG A 51 -13.324 -3.754 13.384 1.00 0.73 O ATOM 756 CB ARG A 51 -13.866 -0.565 12.973 1.00 0.35 C ATOM 757 CG ARG A 51 -12.361 -0.739 13.185 1.00 0.58 C ATOM 758 CD ARG A 51 -12.054 -0.904 14.678 1.00 0.42 C ATOM 759 NE ARG A 51 -12.505 0.313 15.408 1.00 0.82 N ATOM 760 CZ ARG A 51 -11.756 0.797 16.360 1.00 1.26 C ATOM 761 NH1 ARG A 51 -10.487 0.992 16.124 1.00 1.21 N ATOM 762 NH2 ARG A 51 -12.294 1.062 17.519 1.00 1.99 N ATOM 0 H ARG A 51 -16.264 -0.745 12.425 1.00 0.20 H new ATOM 0 HA ARG A 51 -13.981 -2.181 11.511 1.00 0.30 H new ATOM 0 HB2 ARG A 51 -14.055 0.243 12.267 1.00 0.35 H new ATOM 0 HB3 ARG A 51 -14.348 -0.288 13.911 1.00 0.35 H new ATOM 0 HG2 ARG A 51 -12.007 -1.611 12.635 1.00 0.58 H new ATOM 0 HG3 ARG A 51 -11.828 0.126 12.790 1.00 0.58 H new ATOM 0 HD2 ARG A 51 -12.560 -1.786 15.070 1.00 0.42 H new ATOM 0 HD3 ARG A 51 -10.985 -1.057 14.827 1.00 0.42 H new ATOM 0 HE ARG A 51 -13.388 0.762 15.167 1.00 0.82 H new ATOM 0 HH11 ARG A 51 -10.098 0.767 15.208 1.00 1.21 H new ATOM 0 HH12 ARG A 51 -9.884 1.370 16.855 1.00 1.21 H new ATOM 0 HH21 ARG A 51 -13.288 0.890 17.671 1.00 1.99 H new ATOM 0 HH22 ARG A 51 -11.721 1.441 18.273 1.00 1.99 H new ATOM 776 N ASN A 52 -15.054 -2.967 14.509 1.00 0.19 N ATOM 777 CA ASN A 52 -14.882 -3.994 15.572 1.00 0.25 C ATOM 778 C ASN A 52 -15.212 -5.396 15.091 1.00 0.22 C ATOM 779 O ASN A 52 -15.154 -6.339 15.856 1.00 0.25 O ATOM 780 CB ASN A 52 -15.793 -3.646 16.753 1.00 0.28 C ATOM 781 CG ASN A 52 -15.236 -2.424 17.483 1.00 1.34 C ATOM 782 OD1 ASN A 52 -15.188 -1.334 16.948 1.00 2.13 O ATOM 783 ND2 ASN A 52 -14.807 -2.565 18.708 1.00 2.26 N ATOM 0 H ASN A 52 -15.829 -2.317 14.643 1.00 0.19 H new ATOM 0 HA ASN A 52 -13.832 -3.987 15.866 1.00 0.25 H new ATOM 0 HB2 ASN A 52 -16.804 -3.442 16.399 1.00 0.28 H new ATOM 0 HB3 ASN A 52 -15.859 -4.492 17.437 1.00 0.28 H new ATOM 0 HD21 ASN A 52 -14.433 -1.762 19.213 1.00 2.26 H new ATOM 0 HD22 ASN A 52 -14.846 -3.479 19.160 1.00 2.26 H new ATOM 790 N TYR A 53 -15.541 -5.511 13.841 1.00 0.16 N ATOM 791 CA TYR A 53 -15.874 -6.853 13.298 1.00 0.14 C ATOM 792 C TYR A 53 -14.682 -7.393 12.524 1.00 0.14 C ATOM 793 O TYR A 53 -14.779 -8.389 11.838 1.00 0.16 O ATOM 794 CB TYR A 53 -17.081 -6.742 12.367 1.00 0.16 C ATOM 795 CG TYR A 53 -18.323 -7.215 13.110 1.00 0.15 C ATOM 796 CD1 TYR A 53 -18.813 -6.517 14.197 1.00 0.17 C ATOM 797 CD2 TYR A 53 -18.984 -8.345 12.689 1.00 0.14 C ATOM 798 CE1 TYR A 53 -19.949 -6.950 14.846 1.00 0.17 C ATOM 799 CE2 TYR A 53 -20.113 -8.773 13.334 1.00 0.14 C ATOM 800 CZ TYR A 53 -20.609 -8.084 14.418 1.00 0.16 C ATOM 801 OH TYR A 53 -21.752 -8.514 15.061 1.00 0.17 O ATOM 0 H TYR A 53 -15.594 -4.741 13.174 1.00 0.16 H new ATOM 0 HA TYR A 53 -16.112 -7.530 14.119 1.00 0.14 H new ATOM 0 HB2 TYR A 53 -17.209 -5.711 12.037 1.00 0.16 H new ATOM 0 HB3 TYR A 53 -16.924 -7.345 11.473 1.00 0.16 H new ATOM 0 HD1 TYR A 53 -18.304 -5.628 14.540 1.00 0.17 H new ATOM 0 HD2 TYR A 53 -18.609 -8.900 11.842 1.00 0.14 H new ATOM 0 HE1 TYR A 53 -20.325 -6.398 15.695 1.00 0.17 H new ATOM 0 HE2 TYR A 53 -20.621 -9.661 12.989 1.00 0.14 H new ATOM 0 HH TYR A 53 -22.086 -9.327 14.627 1.00 0.17 H new ATOM 811 N VAL A 54 -13.582 -6.695 12.646 1.00 0.15 N ATOM 812 CA VAL A 54 -12.340 -7.122 11.941 1.00 0.15 C ATOM 813 C VAL A 54 -11.151 -6.953 12.866 1.00 0.18 C ATOM 814 O VAL A 54 -11.290 -6.474 13.973 1.00 0.19 O ATOM 815 CB VAL A 54 -12.078 -6.246 10.716 1.00 0.15 C ATOM 816 CG1 VAL A 54 -13.116 -6.532 9.627 1.00 0.18 C ATOM 817 CG2 VAL A 54 -12.114 -4.766 11.099 1.00 0.10 C ATOM 0 H VAL A 54 -13.492 -5.846 13.205 1.00 0.15 H new ATOM 0 HA VAL A 54 -12.471 -8.161 11.639 1.00 0.15 H new ATOM 0 HB VAL A 54 -11.087 -6.482 10.329 1.00 0.15 H new ATOM 0 HG11 VAL A 54 -12.917 -5.901 8.760 1.00 0.18 H new ATOM 0 HG12 VAL A 54 -13.057 -7.580 9.334 1.00 0.18 H new ATOM 0 HG13 VAL A 54 -14.114 -6.318 10.010 1.00 0.18 H new ATOM 0 HG21 VAL A 54 -11.926 -4.157 10.215 1.00 0.10 H new ATOM 0 HG22 VAL A 54 -13.094 -4.520 11.507 1.00 0.10 H new ATOM 0 HG23 VAL A 54 -11.348 -4.565 11.848 1.00 0.10 H new ATOM 827 N THR A 55 -10.009 -7.346 12.407 1.00 0.19 N ATOM 828 CA THR A 55 -8.818 -7.201 13.263 1.00 0.24 C ATOM 829 C THR A 55 -7.556 -7.138 12.386 1.00 0.24 C ATOM 830 O THR A 55 -7.477 -7.827 11.389 1.00 0.16 O ATOM 831 CB THR A 55 -8.765 -8.426 14.157 1.00 0.25 C ATOM 832 OG1 THR A 55 -7.391 -8.686 14.380 1.00 0.23 O ATOM 833 CG2 THR A 55 -9.277 -9.642 13.395 1.00 0.28 C ATOM 0 H THR A 55 -9.849 -7.757 11.487 1.00 0.19 H new ATOM 0 HA THR A 55 -8.868 -6.288 13.856 1.00 0.24 H new ATOM 0 HB THR A 55 -9.347 -8.256 15.063 1.00 0.25 H new ATOM 0 HG1 THR A 55 -7.296 -9.472 14.957 1.00 0.23 H new ATOM 0 HG21 THR A 55 -9.237 -10.519 14.041 1.00 0.28 H new ATOM 0 HG22 THR A 55 -10.307 -9.468 13.082 1.00 0.28 H new ATOM 0 HG23 THR A 55 -8.654 -9.810 12.516 1.00 0.28 H new ATOM 841 N PRO A 56 -6.587 -6.320 12.753 1.00 0.37 N ATOM 842 CA PRO A 56 -5.357 -6.213 11.958 1.00 0.39 C ATOM 843 C PRO A 56 -4.662 -7.566 11.818 1.00 0.41 C ATOM 844 O PRO A 56 -4.696 -8.383 12.715 1.00 0.55 O ATOM 845 CB PRO A 56 -4.459 -5.247 12.747 1.00 0.53 C ATOM 846 CG PRO A 56 -5.203 -4.873 14.051 1.00 0.64 C ATOM 847 CD PRO A 56 -6.613 -5.467 13.963 1.00 0.53 C ATOM 0 HA PRO A 56 -5.569 -5.866 10.947 1.00 0.39 H new ATOM 0 HB2 PRO A 56 -3.501 -5.714 12.974 1.00 0.53 H new ATOM 0 HB3 PRO A 56 -4.247 -4.355 12.158 1.00 0.53 H new ATOM 0 HG2 PRO A 56 -4.675 -5.266 14.920 1.00 0.64 H new ATOM 0 HG3 PRO A 56 -5.250 -3.790 14.169 1.00 0.64 H new ATOM 0 HD2 PRO A 56 -6.854 -6.049 14.853 1.00 0.53 H new ATOM 0 HD3 PRO A 56 -7.368 -4.685 13.880 1.00 0.53 H new ATOM 855 N VAL A 57 -4.047 -7.772 10.688 1.00 0.35 N ATOM 856 CA VAL A 57 -3.342 -9.060 10.468 1.00 0.40 C ATOM 857 C VAL A 57 -1.992 -9.050 11.172 1.00 0.61 C ATOM 858 O VAL A 57 -1.346 -10.071 11.302 1.00 0.31 O ATOM 859 CB VAL A 57 -3.106 -9.229 8.963 1.00 0.37 C ATOM 860 CG1 VAL A 57 -2.992 -10.721 8.641 1.00 0.45 C ATOM 861 CG2 VAL A 57 -4.287 -8.637 8.195 1.00 0.23 C ATOM 0 H VAL A 57 -4.003 -7.109 9.914 1.00 0.35 H new ATOM 0 HA VAL A 57 -3.946 -9.876 10.865 1.00 0.40 H new ATOM 0 HB VAL A 57 -2.189 -8.716 8.674 1.00 0.37 H new ATOM 0 HG11 VAL A 57 -2.824 -10.851 7.572 1.00 0.45 H new ATOM 0 HG12 VAL A 57 -2.156 -11.150 9.194 1.00 0.45 H new ATOM 0 HG13 VAL A 57 -3.914 -11.227 8.927 1.00 0.45 H new ATOM 0 HG21 VAL A 57 -4.121 -8.756 7.124 1.00 0.23 H new ATOM 0 HG22 VAL A 57 -5.203 -9.155 8.480 1.00 0.23 H new ATOM 0 HG23 VAL A 57 -4.381 -7.577 8.432 1.00 0.23 H new ATOM 871 N ASN A 58 -1.594 -7.892 11.614 1.00 1.30 N ATOM 872 CA ASN A 58 -0.291 -7.789 12.315 1.00 1.57 C ATOM 873 C ASN A 58 -0.291 -6.601 13.270 1.00 1.59 C ATOM 874 O ASN A 58 -0.588 -5.488 12.883 1.00 1.78 O ATOM 875 CB ASN A 58 0.811 -7.588 11.266 1.00 1.32 C ATOM 876 CG ASN A 58 0.404 -6.461 10.315 1.00 0.93 C ATOM 877 OD1 ASN A 58 -0.276 -6.678 9.332 1.00 1.39 O ATOM 878 ND2 ASN A 58 0.802 -5.244 10.570 1.00 1.56 N ATOM 0 H ASN A 58 -2.112 -7.018 11.520 1.00 1.30 H new ATOM 0 HA ASN A 58 -0.117 -8.700 12.888 1.00 1.57 H new ATOM 0 HB2 ASN A 58 1.754 -7.344 11.755 1.00 1.32 H new ATOM 0 HB3 ASN A 58 0.970 -8.511 10.708 1.00 1.32 H new ATOM 0 HD21 ASN A 58 0.542 -4.481 9.945 1.00 1.56 H new ATOM 0 HD22 ASN A 58 1.373 -5.056 11.394 1.00 1.56 H new ATOM 885 N ARG A 59 0.035 -6.864 14.503 1.00 2.42 N ATOM 886 CA ARG A 59 0.060 -5.766 15.501 1.00 2.55 C ATOM 887 C ARG A 59 -1.223 -4.942 15.434 1.00 4.94 C ATOM 888 O ARG A 59 -1.198 -3.956 14.716 1.00 5.02 O ATOM 889 CB ARG A 59 1.253 -4.853 15.189 1.00 3.33 C ATOM 890 CG ARG A 59 2.493 -5.368 15.922 1.00 2.49 C ATOM 891 CD ARG A 59 2.530 -4.774 17.333 1.00 3.52 C ATOM 892 NE ARG A 59 3.617 -5.435 18.108 1.00 3.29 N ATOM 893 CZ ARG A 59 3.723 -5.203 19.389 1.00 3.83 C ATOM 894 NH1 ARG A 59 2.680 -4.773 20.044 1.00 5.67 N ATOM 895 NH2 ARG A 59 4.871 -5.414 19.974 1.00 3.09 N ATOM 896 OXT ARG A 59 -2.161 -5.344 16.103 1.00 6.98 O ATOM 0 H ARG A 59 0.284 -7.787 14.860 1.00 2.42 H new ATOM 0 HA ARG A 59 0.147 -6.195 16.499 1.00 2.55 H new ATOM 0 HB2 ARG A 59 1.436 -4.830 14.115 1.00 3.33 H new ATOM 0 HB3 ARG A 59 1.033 -3.831 15.497 1.00 3.33 H new ATOM 0 HG2 ARG A 59 2.473 -6.457 15.974 1.00 2.49 H new ATOM 0 HG3 ARG A 59 3.394 -5.091 15.375 1.00 2.49 H new ATOM 0 HD2 ARG A 59 2.702 -3.699 17.285 1.00 3.52 H new ATOM 0 HD3 ARG A 59 1.571 -4.921 17.829 1.00 3.52 H new ATOM 0 HE ARG A 59 4.272 -6.063 17.643 1.00 3.29 H new ATOM 0 HH11 ARG A 59 1.797 -4.622 19.555 1.00 5.67 H new ATOM 0 HH12 ARG A 59 2.747 -4.587 21.045 1.00 5.67 H new ATOM 0 HH21 ARG A 59 5.665 -5.754 19.431 1.00 3.09 H new ATOM 0 HH22 ARG A 59 4.974 -5.239 20.974 1.00 3.09 H new TER 910 ARG A 59