USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 720 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 Single : A 4 SER OG : rot -63:sc= 1.06 USER MOD Single : A 9 THR OG1 : rot 84:sc= 0.564 USER MOD Single : A 14 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0366) USER MOD Single : A 15 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.24) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00376 USER MOD Single : A 40 SER OG : rot 40:sc= 0.344 USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot -64:sc= 0.244 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 150:sc= -0.876 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -5.22 K(o=-5.2,f=-12!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.198 K(o=-0.2,f=-1) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -129:sc= 0 (180deg=-1.03) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot -127:sc= 0.513 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N PRO A 3 0.595 0.586 -5.764 1.00 44.52 N ATOM 38 CA PRO A 3 0.400 1.620 -6.786 1.00 24.51 C ATOM 39 C PRO A 3 -0.495 1.146 -7.926 1.00 11.04 C ATOM 40 O PRO A 3 -0.465 -0.024 -8.306 1.00 63.15 O ATOM 41 CB PRO A 3 1.819 1.886 -7.296 1.00 12.32 C ATOM 42 CG PRO A 3 2.563 0.625 -7.022 1.00 3.43 C ATOM 43 CD PRO A 3 1.971 0.060 -5.760 1.00 53.44 C ATOM 0 HA PRO A 3 -0.096 2.503 -6.383 1.00 24.51 H new ATOM 0 HB2 PRO A 3 1.819 2.123 -8.360 1.00 12.32 H new ATOM 0 HB3 PRO A 3 2.272 2.733 -6.781 1.00 12.32 H new ATOM 0 HG2 PRO A 3 2.460 -0.077 -7.850 1.00 3.43 H new ATOM 0 HG3 PRO A 3 3.629 0.819 -6.900 1.00 3.43 H new ATOM 0 HD2 PRO A 3 1.985 -1.030 -5.762 1.00 53.44 H new ATOM 0 HD3 PRO A 3 2.523 0.384 -4.877 1.00 53.44 H new ATOM 51 N SER A 4 -1.291 2.063 -8.466 1.00 74.45 N ATOM 52 CA SER A 4 -2.198 1.737 -9.561 1.00 53.41 C ATOM 53 C SER A 4 -3.107 0.571 -9.185 1.00 55.40 C ATOM 54 O SER A 4 -3.499 -0.226 -10.038 1.00 13.52 O ATOM 55 CB SER A 4 -1.405 1.394 -10.824 1.00 13.05 C ATOM 56 OG SER A 4 -1.049 0.023 -10.845 1.00 21.44 O ATOM 0 H SER A 4 -1.327 3.037 -8.164 1.00 74.45 H new ATOM 0 HA SER A 4 -2.819 2.611 -9.757 1.00 53.41 H new ATOM 0 HB2 SER A 4 -1.999 1.632 -11.706 1.00 13.05 H new ATOM 0 HB3 SER A 4 -0.505 2.007 -10.870 1.00 13.05 H new ATOM 0 HG SER A 4 -0.459 -0.173 -10.087 1.00 21.44 H new ATOM 62 N PHE A 5 -3.439 0.478 -7.902 1.00 14.34 N ATOM 63 CA PHE A 5 -4.302 -0.590 -7.411 1.00 23.44 C ATOM 64 C PHE A 5 -3.824 -1.949 -7.915 1.00 35.23 C ATOM 65 O PHE A 5 -4.300 -2.447 -8.935 1.00 11.32 O ATOM 66 CB PHE A 5 -5.748 -0.350 -7.849 1.00 64.14 C ATOM 67 CG PHE A 5 -6.625 0.187 -6.755 1.00 21.22 C ATOM 68 CD1 PHE A 5 -7.186 1.450 -6.855 1.00 25.12 C ATOM 69 CD2 PHE A 5 -6.888 -0.572 -5.625 1.00 55.44 C ATOM 70 CE1 PHE A 5 -7.994 1.947 -5.849 1.00 64.25 C ATOM 71 CE2 PHE A 5 -7.696 -0.080 -4.617 1.00 70.12 C ATOM 72 CZ PHE A 5 -8.248 1.181 -4.729 1.00 32.02 C ATOM 0 H PHE A 5 -3.124 1.129 -7.183 1.00 14.34 H new ATOM 0 HA PHE A 5 -4.256 -0.589 -6.322 1.00 23.44 H new ATOM 0 HB2 PHE A 5 -5.754 0.349 -8.685 1.00 64.14 H new ATOM 0 HB3 PHE A 5 -6.169 -1.287 -8.214 1.00 64.14 H new ATOM 0 HD1 PHE A 5 -6.990 2.053 -7.729 1.00 25.12 H new ATOM 0 HD2 PHE A 5 -6.457 -1.558 -5.531 1.00 55.44 H new ATOM 0 HE1 PHE A 5 -8.426 2.933 -5.939 1.00 64.25 H new ATOM 0 HE2 PHE A 5 -7.895 -0.681 -3.742 1.00 70.12 H new ATOM 0 HZ PHE A 5 -8.878 1.567 -3.941 1.00 32.02 H new ATOM 82 N ALA A 6 -2.881 -2.544 -7.192 1.00 3.40 N ATOM 83 CA ALA A 6 -2.340 -3.845 -7.564 1.00 44.11 C ATOM 84 C ALA A 6 -1.588 -3.768 -8.888 1.00 63.45 C ATOM 85 O ALA A 6 -2.121 -4.085 -9.952 1.00 21.40 O ATOM 86 CB ALA A 6 -3.455 -4.876 -7.647 1.00 72.21 C ATOM 0 H ALA A 6 -2.476 -2.145 -6.345 1.00 3.40 H new ATOM 0 HA ALA A 6 -1.634 -4.152 -6.792 1.00 44.11 H new ATOM 0 HB1 ALA A 6 -3.036 -5.843 -7.926 1.00 72.21 H new ATOM 0 HB2 ALA A 6 -3.947 -4.959 -6.678 1.00 72.21 H new ATOM 0 HB3 ALA A 6 -4.182 -4.566 -8.397 1.00 72.21 H new ATOM 92 N PRO A 7 -0.319 -3.337 -8.826 1.00 31.35 N ATOM 93 CA PRO A 7 0.533 -3.209 -10.011 1.00 41.14 C ATOM 94 C PRO A 7 0.919 -4.563 -10.597 1.00 41.11 C ATOM 95 O PRO A 7 1.289 -5.483 -9.869 1.00 14.35 O ATOM 96 CB PRO A 7 1.772 -2.483 -9.481 1.00 11.10 C ATOM 97 CG PRO A 7 1.814 -2.817 -8.030 1.00 2.43 C ATOM 98 CD PRO A 7 0.381 -2.942 -7.592 1.00 22.42 C ATOM 0 HA PRO A 7 0.028 -2.683 -10.821 1.00 41.14 H new ATOM 0 HB2 PRO A 7 2.675 -2.818 -9.991 1.00 11.10 H new ATOM 0 HB3 PRO A 7 1.698 -1.407 -9.638 1.00 11.10 H new ATOM 0 HG2 PRO A 7 2.357 -3.747 -7.859 1.00 2.43 H new ATOM 0 HG3 PRO A 7 2.328 -2.039 -7.465 1.00 2.43 H new ATOM 0 HD2 PRO A 7 0.264 -3.689 -6.807 1.00 22.42 H new ATOM 0 HD3 PRO A 7 -0.002 -2.001 -7.196 1.00 22.42 H new ATOM 106 N GLY A 8 0.831 -4.678 -11.919 1.00 3.31 N ATOM 107 CA GLY A 8 1.175 -5.923 -12.580 1.00 22.12 C ATOM 108 C GLY A 8 -0.040 -6.642 -13.131 1.00 52.54 C ATOM 109 O GLY A 8 -0.015 -7.856 -13.334 1.00 20.12 O ATOM 0 H GLY A 8 0.528 -3.931 -12.544 1.00 3.31 H new ATOM 0 HA2 GLY A 8 1.872 -5.719 -13.393 1.00 22.12 H new ATOM 0 HA3 GLY A 8 1.690 -6.575 -11.875 1.00 22.12 H new ATOM 113 N THR A 9 -1.110 -5.891 -13.375 1.00 11.44 N ATOM 114 CA THR A 9 -2.342 -6.463 -13.903 1.00 64.22 C ATOM 115 C THR A 9 -2.493 -6.165 -15.390 1.00 44.15 C ATOM 116 O THR A 9 -2.313 -5.027 -15.827 1.00 61.44 O ATOM 117 CB THR A 9 -3.577 -5.926 -13.156 1.00 22.54 C ATOM 118 OG1 THR A 9 -3.296 -5.824 -11.755 1.00 63.13 O ATOM 119 CG2 THR A 9 -4.777 -6.835 -13.372 1.00 34.21 C ATOM 0 H THR A 9 -1.148 -4.884 -13.215 1.00 11.44 H new ATOM 0 HA THR A 9 -2.278 -7.541 -13.755 1.00 64.22 H new ATOM 0 HB THR A 9 -3.813 -4.938 -13.552 1.00 22.54 H new ATOM 0 HG1 THR A 9 -2.836 -4.978 -11.574 1.00 63.13 H new ATOM 0 HG21 THR A 9 -5.637 -6.436 -12.835 1.00 34.21 H new ATOM 0 HG22 THR A 9 -5.006 -6.888 -14.436 1.00 34.21 H new ATOM 0 HG23 THR A 9 -4.549 -7.834 -13.000 1.00 34.21 H new ATOM 127 N LEU A 10 -2.824 -7.192 -16.164 1.00 72.54 N ATOM 128 CA LEU A 10 -3.000 -7.040 -17.604 1.00 74.15 C ATOM 129 C LEU A 10 -4.465 -6.788 -17.950 1.00 65.12 C ATOM 130 O LEU A 10 -5.323 -7.639 -17.719 1.00 74.31 O ATOM 131 CB LEU A 10 -2.500 -8.288 -18.334 1.00 43.33 C ATOM 132 CG LEU A 10 -2.241 -8.130 -19.833 1.00 24.00 C ATOM 133 CD1 LEU A 10 -1.336 -9.243 -20.338 1.00 71.24 C ATOM 134 CD2 LEU A 10 -3.553 -8.116 -20.603 1.00 33.05 C ATOM 0 H LEU A 10 -2.976 -8.140 -15.819 1.00 72.54 H new ATOM 0 HA LEU A 10 -2.415 -6.179 -17.927 1.00 74.15 H new ATOM 0 HB2 LEU A 10 -1.576 -8.617 -17.859 1.00 43.33 H new ATOM 0 HB3 LEU A 10 -3.231 -9.084 -18.194 1.00 43.33 H new ATOM 0 HG LEU A 10 -1.737 -7.177 -19.997 1.00 24.00 H new ATOM 0 HD11 LEU A 10 -1.163 -9.114 -21.406 1.00 71.24 H new ATOM 0 HD12 LEU A 10 -0.384 -9.206 -19.809 1.00 71.24 H new ATOM 0 HD13 LEU A 10 -1.812 -10.207 -20.161 1.00 71.24 H new ATOM 0 HD21 LEU A 10 -3.349 -8.003 -21.668 1.00 33.05 H new ATOM 0 HD22 LEU A 10 -4.085 -9.052 -20.433 1.00 33.05 H new ATOM 0 HD23 LEU A 10 -4.167 -7.283 -20.261 1.00 33.05 H new ATOM 146 N VAL A 11 -4.742 -5.614 -18.508 1.00 0.45 N ATOM 147 CA VAL A 11 -6.102 -5.250 -18.889 1.00 24.42 C ATOM 148 C VAL A 11 -6.206 -5.011 -20.391 1.00 21.42 C ATOM 149 O VAL A 11 -5.233 -5.182 -21.126 1.00 32.43 O ATOM 150 CB VAL A 11 -6.575 -3.987 -18.145 1.00 24.40 C ATOM 151 CG1 VAL A 11 -6.705 -4.262 -16.655 1.00 31.53 C ATOM 152 CG2 VAL A 11 -5.621 -2.830 -18.400 1.00 65.44 C ATOM 0 H VAL A 11 -4.043 -4.898 -18.706 1.00 0.45 H new ATOM 0 HA VAL A 11 -6.743 -6.087 -18.612 1.00 24.42 H new ATOM 0 HB VAL A 11 -7.558 -3.709 -18.526 1.00 24.40 H new ATOM 0 HG11 VAL A 11 -7.040 -3.358 -16.146 1.00 31.53 H new ATOM 0 HG12 VAL A 11 -7.431 -5.059 -16.494 1.00 31.53 H new ATOM 0 HG13 VAL A 11 -5.738 -4.566 -16.255 1.00 31.53 H new ATOM 0 HG21 VAL A 11 -5.971 -1.946 -17.867 1.00 65.44 H new ATOM 0 HG22 VAL A 11 -4.624 -3.096 -18.048 1.00 65.44 H new ATOM 0 HG23 VAL A 11 -5.584 -2.618 -19.469 1.00 65.44 H new ATOM 162 N TRP A 12 -7.391 -4.615 -20.840 1.00 11.11 N ATOM 163 CA TRP A 12 -7.623 -4.352 -22.256 1.00 4.53 C ATOM 164 C TRP A 12 -7.969 -2.885 -22.487 1.00 52.10 C ATOM 165 O TRP A 12 -8.799 -2.314 -21.779 1.00 13.43 O ATOM 166 CB TRP A 12 -8.747 -5.244 -22.784 1.00 51.42 C ATOM 167 CG TRP A 12 -8.266 -6.571 -23.288 1.00 3.43 C ATOM 168 CD1 TRP A 12 -7.036 -7.128 -23.083 1.00 1.13 C ATOM 169 CD2 TRP A 12 -9.005 -7.505 -24.082 1.00 24.34 C ATOM 170 NE1 TRP A 12 -6.966 -8.353 -23.701 1.00 43.23 N ATOM 171 CE2 TRP A 12 -8.161 -8.608 -24.320 1.00 42.33 C ATOM 172 CE3 TRP A 12 -10.297 -7.519 -24.612 1.00 73.42 C ATOM 173 CZ2 TRP A 12 -8.569 -9.709 -25.067 1.00 74.51 C ATOM 174 CZ3 TRP A 12 -10.701 -8.613 -25.354 1.00 31.45 C ATOM 175 CH2 TRP A 12 -9.840 -9.696 -25.575 1.00 31.52 C ATOM 0 H TRP A 12 -8.206 -4.469 -20.245 1.00 11.11 H new ATOM 0 HA TRP A 12 -6.705 -4.579 -22.798 1.00 4.53 H new ATOM 0 HB2 TRP A 12 -9.475 -5.408 -21.989 1.00 51.42 H new ATOM 0 HB3 TRP A 12 -9.266 -4.724 -23.589 1.00 51.42 H new ATOM 0 HD1 TRP A 12 -6.236 -6.673 -22.518 1.00 1.13 H new ATOM 0 HE1 TRP A 12 -6.155 -8.972 -23.699 1.00 43.23 H new ATOM 0 HE3 TRP A 12 -10.969 -6.690 -24.445 1.00 73.42 H new ATOM 0 HZ2 TRP A 12 -7.906 -10.544 -25.240 1.00 74.51 H new ATOM 0 HZ3 TRP A 12 -11.697 -8.633 -25.770 1.00 31.45 H new ATOM 0 HH2 TRP A 12 -10.186 -10.537 -26.158 1.00 31.52 H new ATOM 186 N LEU A 13 -7.329 -2.280 -23.482 1.00 33.12 N ATOM 187 CA LEU A 13 -7.571 -0.879 -23.807 1.00 4.54 C ATOM 188 C LEU A 13 -8.222 -0.742 -25.179 1.00 71.00 C ATOM 189 O LEU A 13 -7.610 -1.050 -26.202 1.00 54.43 O ATOM 190 CB LEU A 13 -6.258 -0.093 -23.772 1.00 73.30 C ATOM 191 CG LEU A 13 -6.310 1.271 -23.083 1.00 74.13 C ATOM 192 CD1 LEU A 13 -5.638 1.207 -21.721 1.00 4.10 C ATOM 193 CD2 LEU A 13 -5.656 2.333 -23.954 1.00 42.32 C ATOM 0 H LEU A 13 -6.639 -2.738 -24.077 1.00 33.12 H new ATOM 0 HA LEU A 13 -8.252 -0.471 -23.060 1.00 4.54 H new ATOM 0 HB2 LEU A 13 -5.506 -0.703 -23.270 1.00 73.30 H new ATOM 0 HB3 LEU A 13 -5.918 0.053 -24.797 1.00 73.30 H new ATOM 0 HG LEU A 13 -7.355 1.543 -22.936 1.00 74.13 H new ATOM 0 HD11 LEU A 13 -5.685 2.187 -21.246 1.00 4.10 H new ATOM 0 HD12 LEU A 13 -6.151 0.476 -21.096 1.00 4.10 H new ATOM 0 HD13 LEU A 13 -4.596 0.912 -21.843 1.00 4.10 H new ATOM 0 HD21 LEU A 13 -5.702 3.297 -23.448 1.00 42.32 H new ATOM 0 HD22 LEU A 13 -4.614 2.066 -24.133 1.00 42.32 H new ATOM 0 HD23 LEU A 13 -6.182 2.397 -24.906 1.00 42.32 H new ATOM 205 N LYS A 14 -9.467 -0.277 -25.194 1.00 4.22 N ATOM 206 CA LYS A 14 -10.201 -0.095 -26.440 1.00 34.30 C ATOM 207 C LYS A 14 -10.320 1.384 -26.791 1.00 44.34 C ATOM 208 O LYS A 14 -10.943 2.156 -26.063 1.00 74.23 O ATOM 209 CB LYS A 14 -11.595 -0.717 -26.329 1.00 74.03 C ATOM 210 CG LYS A 14 -12.235 -1.020 -27.673 1.00 41.43 C ATOM 211 CD LYS A 14 -12.917 0.207 -28.255 1.00 13.10 C ATOM 212 CE LYS A 14 -14.427 0.031 -28.312 1.00 60.53 C ATOM 213 NZ LYS A 14 -14.829 -0.984 -29.325 1.00 64.35 N ATOM 0 H LYS A 14 -9.989 -0.019 -24.356 1.00 4.22 H new ATOM 0 HA LYS A 14 -9.648 -0.595 -27.235 1.00 34.30 H new ATOM 0 HB2 LYS A 14 -11.527 -1.639 -25.752 1.00 74.03 H new ATOM 0 HB3 LYS A 14 -12.243 -0.040 -25.772 1.00 74.03 H new ATOM 0 HG2 LYS A 14 -11.474 -1.378 -28.367 1.00 41.43 H new ATOM 0 HG3 LYS A 14 -12.964 -1.822 -27.557 1.00 41.43 H new ATOM 0 HD2 LYS A 14 -12.674 1.081 -27.650 1.00 13.10 H new ATOM 0 HD3 LYS A 14 -12.534 0.397 -29.258 1.00 13.10 H new ATOM 0 HE2 LYS A 14 -14.795 -0.269 -27.331 1.00 60.53 H new ATOM 0 HE3 LYS A 14 -14.895 0.986 -28.549 1.00 60.53 H new ATOM 0 HZ1 LYS A 14 -15.853 -0.920 -29.492 1.00 64.35 H new ATOM 0 HZ2 LYS A 14 -14.321 -0.806 -30.215 1.00 64.35 H new ATOM 0 HZ3 LYS A 14 -14.594 -1.935 -28.976 1.00 64.35 H new ATOM 227 N GLN A 15 -9.718 1.772 -27.911 1.00 71.35 N ATOM 228 CA GLN A 15 -9.758 3.159 -28.359 1.00 5.04 C ATOM 229 C GLN A 15 -11.059 3.457 -29.095 1.00 74.22 C ATOM 230 O GLN A 15 -11.766 2.543 -29.520 1.00 54.04 O ATOM 231 CB GLN A 15 -8.564 3.458 -29.267 1.00 42.31 C ATOM 232 CG GLN A 15 -7.510 4.340 -28.616 1.00 70.24 C ATOM 233 CD GLN A 15 -8.066 5.675 -28.161 1.00 30.41 C ATOM 234 OE1 GLN A 15 -8.415 6.526 -28.979 1.00 14.34 O ATOM 235 NE2 GLN A 15 -8.151 5.864 -26.849 1.00 54.03 N ATOM 0 H GLN A 15 -9.197 1.145 -28.524 1.00 71.35 H new ATOM 0 HA GLN A 15 -9.706 3.800 -27.479 1.00 5.04 H new ATOM 0 HB2 GLN A 15 -8.103 2.517 -29.568 1.00 42.31 H new ATOM 0 HB3 GLN A 15 -8.921 3.943 -30.175 1.00 42.31 H new ATOM 0 HG2 GLN A 15 -7.083 3.818 -27.760 1.00 70.24 H new ATOM 0 HG3 GLN A 15 -6.698 4.511 -29.323 1.00 70.24 H new ATOM 0 HE21 GLN A 15 -7.850 5.130 -26.207 1.00 54.03 H new ATOM 0 HE22 GLN A 15 -8.517 6.743 -26.483 1.00 54.03 H new ATOM 244 N ASP A 16 -11.370 4.740 -29.242 1.00 61.01 N ATOM 245 CA ASP A 16 -12.587 5.159 -29.928 1.00 61.51 C ATOM 246 C ASP A 16 -12.576 4.698 -31.383 1.00 13.54 C ATOM 247 O ASP A 16 -13.468 3.970 -31.820 1.00 5.40 O ATOM 248 CB ASP A 16 -12.738 6.679 -29.862 1.00 43.13 C ATOM 249 CG ASP A 16 -13.660 7.121 -28.743 1.00 41.53 C ATOM 250 OD1 ASP A 16 -14.588 7.912 -29.016 1.00 45.31 O ATOM 251 OD2 ASP A 16 -13.455 6.676 -27.595 1.00 2.30 O ATOM 0 H ASP A 16 -10.796 5.508 -28.895 1.00 61.01 H new ATOM 0 HA ASP A 16 -13.436 4.696 -29.425 1.00 61.51 H new ATOM 0 HB2 ASP A 16 -11.757 7.133 -29.721 1.00 43.13 H new ATOM 0 HB3 ASP A 16 -13.125 7.044 -30.813 1.00 43.13 H new ATOM 256 N ARG A 17 -11.563 5.129 -32.127 1.00 0.12 N ATOM 257 CA ARG A 17 -11.438 4.763 -33.532 1.00 41.35 C ATOM 258 C ARG A 17 -10.579 3.513 -33.695 1.00 24.15 C ATOM 259 O ARG A 17 -10.697 2.789 -34.683 1.00 52.15 O ATOM 260 CB ARG A 17 -10.831 5.919 -34.330 1.00 51.02 C ATOM 261 CG ARG A 17 -11.867 6.854 -34.932 1.00 74.22 C ATOM 262 CD ARG A 17 -12.126 8.053 -34.033 1.00 24.42 C ATOM 263 NE ARG A 17 -13.040 9.011 -34.647 1.00 52.05 N ATOM 264 CZ ARG A 17 -12.714 9.779 -35.681 1.00 72.02 C ATOM 265 NH1 ARG A 17 -11.502 9.701 -36.213 1.00 73.23 N ATOM 266 NH2 ARG A 17 -13.602 10.627 -36.185 1.00 43.01 N ATOM 0 H ARG A 17 -10.817 5.732 -31.780 1.00 0.12 H new ATOM 0 HA ARG A 17 -12.436 4.549 -33.915 1.00 41.35 H new ATOM 0 HB2 ARG A 17 -10.172 6.492 -33.678 1.00 51.02 H new ATOM 0 HB3 ARG A 17 -10.213 5.512 -35.130 1.00 51.02 H new ATOM 0 HG2 ARG A 17 -11.525 7.197 -35.908 1.00 74.22 H new ATOM 0 HG3 ARG A 17 -12.798 6.311 -35.093 1.00 74.22 H new ATOM 0 HD2 ARG A 17 -12.542 7.712 -33.085 1.00 24.42 H new ATOM 0 HD3 ARG A 17 -11.181 8.547 -33.807 1.00 24.42 H new ATOM 0 HE ARG A 17 -13.980 9.096 -34.261 1.00 52.05 H new ATOM 0 HH11 ARG A 17 -10.817 9.050 -35.828 1.00 73.23 H new ATOM 0 HH12 ARG A 17 -11.254 10.292 -37.007 1.00 73.23 H new ATOM 0 HH21 ARG A 17 -14.535 10.689 -35.778 1.00 43.01 H new ATOM 0 HH22 ARG A 17 -13.351 11.216 -36.979 1.00 43.01 H new ATOM 280 N PHE A 18 -9.713 3.265 -32.717 1.00 41.41 N ATOM 281 CA PHE A 18 -8.832 2.104 -32.752 1.00 33.53 C ATOM 282 C PHE A 18 -9.458 0.925 -32.012 1.00 21.32 C ATOM 283 O PHE A 18 -10.320 1.088 -31.148 1.00 4.13 O ATOM 284 CB PHE A 18 -7.476 2.447 -32.133 1.00 23.31 C ATOM 285 CG PHE A 18 -6.360 2.519 -33.136 1.00 73.13 C ATOM 286 CD1 PHE A 18 -5.145 1.902 -32.886 1.00 41.44 C ATOM 287 CD2 PHE A 18 -6.527 3.204 -34.329 1.00 51.01 C ATOM 288 CE1 PHE A 18 -4.117 1.967 -33.808 1.00 25.43 C ATOM 289 CE2 PHE A 18 -5.503 3.271 -35.254 1.00 45.32 C ATOM 290 CZ PHE A 18 -4.295 2.653 -34.993 1.00 34.03 C ATOM 0 H PHE A 18 -9.603 3.853 -31.891 1.00 41.41 H new ATOM 0 HA PHE A 18 -8.686 1.821 -33.794 1.00 33.53 H new ATOM 0 HB2 PHE A 18 -7.553 3.404 -31.617 1.00 23.31 H new ATOM 0 HB3 PHE A 18 -7.229 1.698 -31.380 1.00 23.31 H new ATOM 0 HD1 PHE A 18 -4.999 1.364 -31.961 1.00 41.44 H new ATOM 0 HD2 PHE A 18 -7.468 3.691 -34.538 1.00 51.01 H new ATOM 0 HE1 PHE A 18 -3.175 1.481 -33.601 1.00 25.43 H new ATOM 0 HE2 PHE A 18 -5.647 3.806 -36.181 1.00 45.32 H new ATOM 0 HZ PHE A 18 -3.492 2.706 -35.714 1.00 34.03 H new ATOM 300 N PRO A 19 -9.015 -0.293 -32.358 1.00 71.05 N ATOM 301 CA PRO A 19 -9.517 -1.524 -31.740 1.00 53.41 C ATOM 302 C PRO A 19 -9.071 -1.667 -30.289 1.00 13.00 C ATOM 303 O PRO A 19 -8.582 -0.713 -29.683 1.00 72.43 O ATOM 304 CB PRO A 19 -8.902 -2.630 -32.601 1.00 3.25 C ATOM 305 CG PRO A 19 -7.673 -2.019 -33.181 1.00 52.30 C ATOM 306 CD PRO A 19 -7.990 -0.562 -33.380 1.00 63.34 C ATOM 0 HA PRO A 19 -10.606 -1.548 -31.706 1.00 53.41 H new ATOM 0 HB2 PRO A 19 -8.663 -3.510 -32.004 1.00 3.25 H new ATOM 0 HB3 PRO A 19 -9.590 -2.953 -33.382 1.00 3.25 H new ATOM 0 HG2 PRO A 19 -6.821 -2.145 -32.513 1.00 52.30 H new ATOM 0 HG3 PRO A 19 -7.410 -2.494 -34.126 1.00 52.30 H new ATOM 0 HD2 PRO A 19 -7.109 0.064 -33.240 1.00 63.34 H new ATOM 0 HD3 PRO A 19 -8.363 -0.366 -34.385 1.00 63.34 H new ATOM 314 N TRP A 20 -9.243 -2.863 -29.738 1.00 23.00 N ATOM 315 CA TRP A 20 -8.857 -3.131 -28.357 1.00 42.50 C ATOM 316 C TRP A 20 -7.607 -4.002 -28.300 1.00 72.11 C ATOM 317 O TRP A 20 -7.580 -5.101 -28.855 1.00 40.40 O ATOM 318 CB TRP A 20 -10.003 -3.812 -27.608 1.00 55.13 C ATOM 319 CG TRP A 20 -10.774 -4.779 -28.455 1.00 52.23 C ATOM 320 CD1 TRP A 20 -11.865 -4.502 -29.229 1.00 11.01 C ATOM 321 CD2 TRP A 20 -10.513 -6.178 -28.612 1.00 14.20 C ATOM 322 NE1 TRP A 20 -12.298 -5.645 -29.857 1.00 51.21 N ATOM 323 CE2 TRP A 20 -11.485 -6.686 -29.496 1.00 32.41 C ATOM 324 CE3 TRP A 20 -9.552 -7.050 -28.093 1.00 55.05 C ATOM 325 CZ2 TRP A 20 -11.522 -8.027 -29.870 1.00 32.14 C ATOM 326 CZ3 TRP A 20 -9.591 -8.380 -28.465 1.00 62.41 C ATOM 327 CH2 TRP A 20 -10.569 -8.859 -29.347 1.00 14.53 C ATOM 0 H TRP A 20 -9.647 -3.662 -30.226 1.00 23.00 H new ATOM 0 HA TRP A 20 -8.635 -2.178 -27.877 1.00 42.50 H new ATOM 0 HB2 TRP A 20 -9.600 -4.339 -26.743 1.00 55.13 H new ATOM 0 HB3 TRP A 20 -10.683 -3.050 -27.228 1.00 55.13 H new ATOM 0 HD1 TRP A 20 -12.320 -3.528 -29.332 1.00 11.01 H new ATOM 0 HE1 TRP A 20 -13.096 -5.708 -30.490 1.00 51.21 H new ATOM 0 HE3 TRP A 20 -8.793 -6.691 -27.414 1.00 55.05 H new ATOM 0 HZ2 TRP A 20 -12.276 -8.397 -30.549 1.00 32.14 H new ATOM 0 HZ3 TRP A 20 -8.854 -9.063 -28.069 1.00 62.41 H new ATOM 0 HH2 TRP A 20 -10.571 -9.904 -29.619 1.00 14.53 H new ATOM 338 N TRP A 21 -6.576 -3.506 -27.627 1.00 24.03 N ATOM 339 CA TRP A 21 -5.323 -4.241 -27.498 1.00 25.22 C ATOM 340 C TRP A 21 -4.948 -4.426 -26.031 1.00 41.44 C ATOM 341 O TRP A 21 -5.339 -3.645 -25.163 1.00 41.13 O ATOM 342 CB TRP A 21 -4.200 -3.510 -28.236 1.00 10.33 C ATOM 343 CG TRP A 21 -4.356 -3.532 -29.726 1.00 52.32 C ATOM 344 CD1 TRP A 21 -4.478 -2.452 -30.553 1.00 45.15 C ATOM 345 CD2 TRP A 21 -4.410 -4.691 -30.565 1.00 43.53 C ATOM 346 NE1 TRP A 21 -4.603 -2.870 -31.856 1.00 53.34 N ATOM 347 CE2 TRP A 21 -4.564 -4.238 -31.891 1.00 23.55 C ATOM 348 CE3 TRP A 21 -4.340 -6.066 -30.327 1.00 13.44 C ATOM 349 CZ2 TRP A 21 -4.651 -5.114 -32.970 1.00 4.32 C ATOM 350 CZ3 TRP A 21 -4.427 -6.933 -31.399 1.00 10.02 C ATOM 351 CH2 TRP A 21 -4.580 -6.455 -32.707 1.00 41.20 C ATOM 0 H TRP A 21 -6.582 -2.598 -27.162 1.00 24.03 H new ATOM 0 HA TRP A 21 -5.461 -5.225 -27.945 1.00 25.22 H new ATOM 0 HB2 TRP A 21 -4.166 -2.475 -27.897 1.00 10.33 H new ATOM 0 HB3 TRP A 21 -3.245 -3.964 -27.971 1.00 10.33 H new ATOM 0 HD1 TRP A 21 -4.476 -1.421 -30.230 1.00 45.15 H new ATOM 0 HE1 TRP A 21 -4.708 -2.260 -32.666 1.00 53.34 H new ATOM 0 HE3 TRP A 21 -4.220 -6.444 -29.323 1.00 13.44 H new ATOM 0 HZ2 TRP A 21 -4.770 -4.748 -33.979 1.00 4.32 H new ATOM 0 HZ3 TRP A 21 -4.376 -7.998 -31.226 1.00 10.02 H new ATOM 0 HH2 TRP A 21 -4.643 -7.159 -33.524 1.00 41.20 H new ATOM 362 N PRO A 22 -4.172 -5.482 -25.746 1.00 0.21 N ATOM 363 CA PRO A 22 -3.727 -5.792 -24.384 1.00 72.10 C ATOM 364 C PRO A 22 -2.712 -4.781 -23.861 1.00 73.31 C ATOM 365 O PRO A 22 -1.936 -4.213 -24.628 1.00 21.21 O ATOM 366 CB PRO A 22 -3.082 -7.173 -24.528 1.00 4.43 C ATOM 367 CG PRO A 22 -2.653 -7.244 -25.953 1.00 1.14 C ATOM 368 CD PRO A 22 -3.669 -6.454 -26.731 1.00 23.03 C ATOM 0 HA PRO A 22 -4.550 -5.763 -23.670 1.00 72.10 H new ATOM 0 HB2 PRO A 22 -2.234 -7.286 -23.853 1.00 4.43 H new ATOM 0 HB3 PRO A 22 -3.789 -7.967 -24.287 1.00 4.43 H new ATOM 0 HG2 PRO A 22 -1.654 -6.828 -26.081 1.00 1.14 H new ATOM 0 HG3 PRO A 22 -2.615 -8.277 -26.298 1.00 1.14 H new ATOM 0 HD2 PRO A 22 -3.220 -5.958 -27.591 1.00 23.03 H new ATOM 0 HD3 PRO A 22 -4.468 -7.091 -27.111 1.00 23.03 H new ATOM 376 N GLY A 23 -2.724 -4.562 -22.550 1.00 1.23 N ATOM 377 CA GLY A 23 -1.799 -3.619 -21.947 1.00 75.31 C ATOM 378 C GLY A 23 -1.583 -3.883 -20.470 1.00 70.23 C ATOM 379 O GLY A 23 -2.541 -4.023 -19.710 1.00 74.32 O ATOM 0 H GLY A 23 -3.357 -5.020 -21.895 1.00 1.23 H new ATOM 0 HA2 GLY A 23 -0.842 -3.671 -22.466 1.00 75.31 H new ATOM 0 HA3 GLY A 23 -2.179 -2.606 -22.080 1.00 75.31 H new ATOM 383 N PHE A 24 -0.320 -3.953 -20.062 1.00 53.11 N ATOM 384 CA PHE A 24 0.019 -4.205 -18.666 1.00 42.34 C ATOM 385 C PHE A 24 -0.036 -2.915 -17.852 1.00 60.41 C ATOM 386 O PHE A 24 0.531 -1.895 -18.244 1.00 63.50 O ATOM 387 CB PHE A 24 1.413 -4.827 -18.563 1.00 21.31 C ATOM 388 CG PHE A 24 1.501 -5.935 -17.552 1.00 3.41 C ATOM 389 CD1 PHE A 24 0.645 -7.022 -17.619 1.00 11.31 C ATOM 390 CD2 PHE A 24 2.441 -5.888 -16.534 1.00 75.12 C ATOM 391 CE1 PHE A 24 0.724 -8.043 -16.690 1.00 53.44 C ATOM 392 CE2 PHE A 24 2.524 -6.906 -15.603 1.00 63.23 C ATOM 393 CZ PHE A 24 1.664 -7.984 -15.681 1.00 21.13 C ATOM 0 H PHE A 24 0.485 -3.839 -20.678 1.00 53.11 H new ATOM 0 HA PHE A 24 -0.714 -4.902 -18.260 1.00 42.34 H new ATOM 0 HB2 PHE A 24 1.703 -5.213 -19.540 1.00 21.31 H new ATOM 0 HB3 PHE A 24 2.131 -4.049 -18.302 1.00 21.31 H new ATOM 0 HD1 PHE A 24 -0.093 -7.073 -18.406 1.00 11.31 H new ATOM 0 HD2 PHE A 24 3.115 -5.047 -16.468 1.00 75.12 H new ATOM 0 HE1 PHE A 24 0.051 -8.885 -16.754 1.00 53.44 H new ATOM 0 HE2 PHE A 24 3.261 -6.859 -14.815 1.00 63.23 H new ATOM 0 HZ PHE A 24 1.727 -8.780 -14.953 1.00 21.13 H new ATOM 403 N VAL A 25 -0.724 -2.969 -16.716 1.00 52.02 N ATOM 404 CA VAL A 25 -0.854 -1.807 -15.845 1.00 50.34 C ATOM 405 C VAL A 25 0.393 -1.620 -14.988 1.00 72.32 C ATOM 406 O VAL A 25 0.724 -2.471 -14.163 1.00 70.32 O ATOM 407 CB VAL A 25 -2.083 -1.930 -14.925 1.00 1.50 C ATOM 408 CG1 VAL A 25 -2.190 -0.717 -14.013 1.00 31.13 C ATOM 409 CG2 VAL A 25 -3.350 -2.101 -15.749 1.00 11.12 C ATOM 0 H VAL A 25 -1.200 -3.805 -16.377 1.00 52.02 H new ATOM 0 HA VAL A 25 -0.980 -0.939 -16.492 1.00 50.34 H new ATOM 0 HB VAL A 25 -1.961 -2.815 -14.301 1.00 1.50 H new ATOM 0 HG11 VAL A 25 -3.064 -0.821 -13.370 1.00 31.13 H new ATOM 0 HG12 VAL A 25 -1.293 -0.644 -13.397 1.00 31.13 H new ATOM 0 HG13 VAL A 25 -2.289 0.185 -14.617 1.00 31.13 H new ATOM 0 HG21 VAL A 25 -4.209 -2.186 -15.083 1.00 11.12 H new ATOM 0 HG22 VAL A 25 -3.480 -1.236 -16.400 1.00 11.12 H new ATOM 0 HG23 VAL A 25 -3.270 -3.003 -16.356 1.00 11.12 H new ATOM 419 N MET A 26 1.080 -0.501 -15.189 1.00 43.11 N ATOM 420 CA MET A 26 2.291 -0.202 -14.433 1.00 13.34 C ATOM 421 C MET A 26 2.305 1.256 -13.984 1.00 12.04 C ATOM 422 O MET A 26 1.884 2.147 -14.722 1.00 35.32 O ATOM 423 CB MET A 26 3.532 -0.500 -15.276 1.00 53.32 C ATOM 424 CG MET A 26 3.771 -1.984 -15.502 1.00 52.22 C ATOM 425 SD MET A 26 5.481 -2.467 -15.194 1.00 54.44 S ATOM 426 CE MET A 26 5.409 -2.874 -13.452 1.00 32.41 C ATOM 0 H MET A 26 0.819 0.214 -15.869 1.00 43.11 H new ATOM 0 HA MET A 26 2.302 -0.837 -13.547 1.00 13.34 H new ATOM 0 HB2 MET A 26 3.432 -0.005 -16.242 1.00 53.32 H new ATOM 0 HB3 MET A 26 4.406 -0.070 -14.786 1.00 53.32 H new ATOM 0 HG2 MET A 26 3.112 -2.558 -14.850 1.00 52.22 H new ATOM 0 HG3 MET A 26 3.505 -2.239 -16.528 1.00 52.22 H new ATOM 0 HE1 MET A 26 6.394 -3.192 -13.112 1.00 32.41 H new ATOM 0 HE2 MET A 26 5.095 -1.997 -12.886 1.00 32.41 H new ATOM 0 HE3 MET A 26 4.693 -3.681 -13.296 1.00 32.41 H new ATOM 436 N ASP A 27 2.791 1.492 -12.770 1.00 61.11 N ATOM 437 CA ASP A 27 2.861 2.842 -12.223 1.00 54.04 C ATOM 438 C ASP A 27 4.243 3.448 -12.446 1.00 54.24 C ATOM 439 O ASP A 27 5.270 2.786 -12.296 1.00 75.22 O ATOM 440 CB ASP A 27 2.531 2.828 -10.730 1.00 22.01 C ATOM 441 CG ASP A 27 1.734 4.044 -10.301 1.00 43.43 C ATOM 442 OD1 ASP A 27 0.488 3.968 -10.302 1.00 34.23 O ATOM 443 OD2 ASP A 27 2.357 5.073 -9.965 1.00 24.35 O ATOM 0 H ASP A 27 3.142 0.766 -12.146 1.00 61.11 H new ATOM 0 HA ASP A 27 2.127 3.457 -12.743 1.00 54.04 H new ATOM 0 HB2 ASP A 27 1.967 1.926 -10.494 1.00 22.01 H new ATOM 0 HB3 ASP A 27 3.457 2.784 -10.157 1.00 22.01 H new ATOM 448 N PRO A 28 4.271 4.738 -12.815 1.00 22.43 N ATOM 449 CA PRO A 28 5.521 5.461 -13.067 1.00 12.31 C ATOM 450 C PRO A 28 6.316 5.707 -11.790 1.00 4.05 C ATOM 451 O PRO A 28 7.547 5.669 -11.796 1.00 51.04 O ATOM 452 CB PRO A 28 5.048 6.788 -13.666 1.00 15.23 C ATOM 453 CG PRO A 28 3.666 6.970 -13.139 1.00 52.01 C ATOM 454 CD PRO A 28 3.086 5.589 -13.013 1.00 32.54 C ATOM 0 HA PRO A 28 6.193 4.899 -13.716 1.00 12.31 H new ATOM 0 HB2 PRO A 28 5.697 7.611 -13.367 1.00 15.23 H new ATOM 0 HB3 PRO A 28 5.055 6.756 -14.755 1.00 15.23 H new ATOM 0 HG2 PRO A 28 3.680 7.477 -12.174 1.00 52.01 H new ATOM 0 HG3 PRO A 28 3.069 7.584 -13.813 1.00 52.01 H new ATOM 0 HD2 PRO A 28 2.396 5.518 -12.173 1.00 32.54 H new ATOM 0 HD3 PRO A 28 2.531 5.303 -13.906 1.00 32.54 H new ATOM 462 N ASP A 29 5.607 5.958 -10.695 1.00 54.42 N ATOM 463 CA ASP A 29 6.247 6.209 -9.409 1.00 70.22 C ATOM 464 C ASP A 29 5.205 6.382 -8.308 1.00 65.10 C ATOM 465 O ASP A 29 5.182 7.401 -7.619 1.00 34.24 O ATOM 466 CB ASP A 29 7.133 7.453 -9.490 1.00 62.32 C ATOM 467 CG ASP A 29 8.330 7.372 -8.564 1.00 25.12 C ATOM 468 OD1 ASP A 29 8.270 6.604 -7.580 1.00 54.24 O ATOM 469 OD2 ASP A 29 9.329 8.076 -8.823 1.00 32.24 O ATOM 0 H ASP A 29 4.588 5.993 -10.672 1.00 54.42 H new ATOM 0 HA ASP A 29 6.867 5.346 -9.165 1.00 70.22 H new ATOM 0 HB2 ASP A 29 7.479 7.583 -10.515 1.00 62.32 H new ATOM 0 HB3 ASP A 29 6.542 8.334 -9.239 1.00 62.32 H new ATOM 474 N GLU A 30 4.346 5.380 -8.150 1.00 62.13 N ATOM 475 CA GLU A 30 3.301 5.423 -7.134 1.00 44.30 C ATOM 476 C GLU A 30 2.520 6.732 -7.213 1.00 33.41 C ATOM 477 O GLU A 30 2.850 7.707 -6.539 1.00 5.04 O ATOM 478 CB GLU A 30 3.909 5.263 -5.739 1.00 30.21 C ATOM 479 CG GLU A 30 4.834 4.064 -5.612 1.00 75.30 C ATOM 480 CD GLU A 30 6.225 4.447 -5.147 1.00 30.34 C ATOM 481 OE1 GLU A 30 7.089 4.703 -6.011 1.00 23.00 O ATOM 482 OE2 GLU A 30 6.450 4.490 -3.919 1.00 72.22 O ATOM 0 H GLU A 30 4.353 4.529 -8.712 1.00 62.13 H new ATOM 0 HA GLU A 30 2.614 4.598 -7.320 1.00 44.30 H new ATOM 0 HB2 GLU A 30 4.463 6.167 -5.488 1.00 30.21 H new ATOM 0 HB3 GLU A 30 3.104 5.169 -5.010 1.00 30.21 H new ATOM 0 HG2 GLU A 30 4.404 3.351 -4.909 1.00 75.30 H new ATOM 0 HG3 GLU A 30 4.903 3.560 -6.576 1.00 75.30 H new ATOM 489 N VAL A 31 1.481 6.744 -8.042 1.00 51.31 N ATOM 490 CA VAL A 31 0.651 7.931 -8.210 1.00 1.42 C ATOM 491 C VAL A 31 -0.629 7.828 -7.388 1.00 62.10 C ATOM 492 O VAL A 31 -1.580 8.579 -7.604 1.00 61.04 O ATOM 493 CB VAL A 31 0.282 8.154 -9.689 1.00 21.05 C ATOM 494 CG1 VAL A 31 1.533 8.385 -10.522 1.00 41.52 C ATOM 495 CG2 VAL A 31 -0.513 6.972 -10.222 1.00 52.24 C ATOM 0 H VAL A 31 1.194 5.945 -8.608 1.00 51.31 H new ATOM 0 HA VAL A 31 1.238 8.779 -7.858 1.00 1.42 H new ATOM 0 HB VAL A 31 -0.342 9.045 -9.760 1.00 21.05 H new ATOM 0 HG11 VAL A 31 1.253 8.541 -11.564 1.00 41.52 H new ATOM 0 HG12 VAL A 31 2.059 9.265 -10.152 1.00 41.52 H new ATOM 0 HG13 VAL A 31 2.185 7.515 -10.448 1.00 41.52 H new ATOM 0 HG21 VAL A 31 -0.766 7.145 -11.268 1.00 52.24 H new ATOM 0 HG22 VAL A 31 0.085 6.064 -10.139 1.00 52.24 H new ATOM 0 HG23 VAL A 31 -1.429 6.858 -9.642 1.00 52.24 H new ATOM 505 N ARG A 32 -0.645 6.893 -6.444 1.00 32.40 N ATOM 506 CA ARG A 32 -1.809 6.690 -5.589 1.00 60.04 C ATOM 507 C ARG A 32 -1.705 7.532 -4.321 1.00 31.41 C ATOM 508 O ARG A 32 -2.713 8.000 -3.791 1.00 25.05 O ATOM 509 CB ARG A 32 -1.948 5.211 -5.223 1.00 51.22 C ATOM 510 CG ARG A 32 -0.836 4.700 -4.323 1.00 22.54 C ATOM 511 CD ARG A 32 -1.257 4.702 -2.861 1.00 63.03 C ATOM 512 NE ARG A 32 -0.468 3.767 -2.063 1.00 10.30 N ATOM 513 CZ ARG A 32 -0.845 3.319 -0.871 1.00 75.41 C ATOM 514 NH1 ARG A 32 -1.994 3.717 -0.343 1.00 34.44 N ATOM 515 NH2 ARG A 32 -0.073 2.469 -0.205 1.00 51.35 N ATOM 0 H ARG A 32 0.135 6.264 -6.252 1.00 32.40 H new ATOM 0 HA ARG A 32 -2.694 7.005 -6.142 1.00 60.04 H new ATOM 0 HB2 ARG A 32 -2.906 5.057 -4.726 1.00 51.22 H new ATOM 0 HB3 ARG A 32 -1.964 4.619 -6.138 1.00 51.22 H new ATOM 0 HG2 ARG A 32 -0.560 3.689 -4.622 1.00 22.54 H new ATOM 0 HG3 ARG A 32 0.050 5.322 -4.448 1.00 22.54 H new ATOM 0 HD2 ARG A 32 -1.149 5.707 -2.454 1.00 63.03 H new ATOM 0 HD3 ARG A 32 -2.313 4.440 -2.787 1.00 63.03 H new ATOM 0 HE ARG A 32 0.421 3.440 -2.442 1.00 10.30 H new ATOM 0 HH11 ARG A 32 -2.591 4.369 -0.852 1.00 34.44 H new ATOM 0 HH12 ARG A 32 -2.281 3.371 0.573 1.00 34.44 H new ATOM 0 HH21 ARG A 32 0.811 2.159 -0.609 1.00 51.35 H new ATOM 0 HH22 ARG A 32 -0.364 2.126 0.710 1.00 51.35 H new ATOM 529 N ASP A 33 -0.481 7.719 -3.840 1.00 20.41 N ATOM 530 CA ASP A 33 -0.245 8.504 -2.634 1.00 70.10 C ATOM 531 C ASP A 33 0.266 9.898 -2.985 1.00 24.33 C ATOM 532 O ASP A 33 -0.047 10.874 -2.303 1.00 24.04 O ATOM 533 CB ASP A 33 0.758 7.793 -1.725 1.00 24.22 C ATOM 534 CG ASP A 33 0.161 7.422 -0.382 1.00 30.23 C ATOM 535 OD1 ASP A 33 0.753 7.791 0.654 1.00 25.00 O ATOM 536 OD2 ASP A 33 -0.900 6.763 -0.366 1.00 64.03 O ATOM 0 H ASP A 33 0.363 7.338 -4.267 1.00 20.41 H new ATOM 0 HA ASP A 33 -1.193 8.606 -2.105 1.00 70.10 H new ATOM 0 HB2 ASP A 33 1.118 6.891 -2.221 1.00 24.22 H new ATOM 0 HB3 ASP A 33 1.623 8.438 -1.569 1.00 24.22 H new ATOM 541 N ILE A 34 1.055 9.982 -4.051 1.00 14.20 N ATOM 542 CA ILE A 34 1.609 11.256 -4.491 1.00 40.25 C ATOM 543 C ILE A 34 1.068 11.647 -5.863 1.00 33.44 C ATOM 544 O ILE A 34 1.400 11.027 -6.874 1.00 5.42 O ATOM 545 CB ILE A 34 3.147 11.210 -4.554 1.00 22.54 C ATOM 546 CG1 ILE A 34 3.719 10.734 -3.217 1.00 21.05 C ATOM 547 CG2 ILE A 34 3.704 12.578 -4.918 1.00 23.43 C ATOM 548 CD1 ILE A 34 4.107 9.272 -3.211 1.00 60.10 C ATOM 0 H ILE A 34 1.325 9.183 -4.625 1.00 14.20 H new ATOM 0 HA ILE A 34 1.305 12.002 -3.756 1.00 40.25 H new ATOM 0 HB ILE A 34 3.443 10.502 -5.328 1.00 22.54 H new ATOM 0 HG12 ILE A 34 4.595 11.335 -2.971 1.00 21.05 H new ATOM 0 HG13 ILE A 34 2.982 10.909 -2.433 1.00 21.05 H new ATOM 0 HG21 ILE A 34 4.792 12.529 -4.958 1.00 23.43 H new ATOM 0 HG22 ILE A 34 3.318 12.881 -5.891 1.00 23.43 H new ATOM 0 HG23 ILE A 34 3.401 13.306 -4.165 1.00 23.43 H new ATOM 0 HD11 ILE A 34 4.504 9.005 -2.232 1.00 60.10 H new ATOM 0 HD12 ILE A 34 3.230 8.662 -3.425 1.00 60.10 H new ATOM 0 HD13 ILE A 34 4.867 9.094 -3.972 1.00 60.10 H new ATOM 560 N THR A 35 0.232 12.680 -5.890 1.00 75.15 N ATOM 561 CA THR A 35 -0.356 13.154 -7.137 1.00 41.30 C ATOM 562 C THR A 35 0.226 14.504 -7.540 1.00 41.33 C ATOM 563 O THR A 35 -0.127 15.539 -6.973 1.00 33.23 O ATOM 564 CB THR A 35 -1.887 13.281 -7.024 1.00 42.12 C ATOM 565 OG1 THR A 35 -2.250 13.655 -5.691 1.00 14.14 O ATOM 566 CG2 THR A 35 -2.567 11.971 -7.392 1.00 41.02 C ATOM 0 H THR A 35 -0.053 13.204 -5.063 1.00 75.15 H new ATOM 0 HA THR A 35 -0.116 12.415 -7.901 1.00 41.30 H new ATOM 0 HB THR A 35 -2.218 14.052 -7.720 1.00 42.12 H new ATOM 0 HG1 THR A 35 -3.225 13.735 -5.628 1.00 14.14 H new ATOM 0 HG21 THR A 35 -3.648 12.085 -7.305 1.00 41.02 H new ATOM 0 HG22 THR A 35 -2.312 11.704 -8.418 1.00 41.02 H new ATOM 0 HG23 THR A 35 -2.230 11.184 -6.718 1.00 41.02 H new ATOM 574 N LEU A 36 1.119 14.488 -8.524 1.00 2.24 N ATOM 575 CA LEU A 36 1.750 15.713 -9.004 1.00 63.40 C ATOM 576 C LEU A 36 1.376 15.984 -10.457 1.00 54.24 C ATOM 577 O LEU A 36 1.065 15.073 -11.225 1.00 20.12 O ATOM 578 CB LEU A 36 3.271 15.614 -8.867 1.00 74.43 C ATOM 579 CG LEU A 36 3.814 15.553 -7.439 1.00 54.41 C ATOM 580 CD1 LEU A 36 5.246 15.044 -7.434 1.00 25.12 C ATOM 581 CD2 LEU A 36 3.730 16.922 -6.779 1.00 33.35 C ATOM 0 H LEU A 36 1.422 13.641 -9.005 1.00 2.24 H new ATOM 0 HA LEU A 36 1.389 16.542 -8.394 1.00 63.40 H new ATOM 0 HB2 LEU A 36 3.607 14.724 -9.400 1.00 74.43 H new ATOM 0 HB3 LEU A 36 3.717 16.473 -9.368 1.00 74.43 H new ATOM 0 HG LEU A 36 3.201 14.857 -6.866 1.00 54.41 H new ATOM 0 HD11 LEU A 36 5.616 15.007 -6.409 1.00 25.12 H new ATOM 0 HD12 LEU A 36 5.278 14.044 -7.867 1.00 25.12 H new ATOM 0 HD13 LEU A 36 5.873 15.715 -8.022 1.00 25.12 H new ATOM 0 HD21 LEU A 36 4.121 16.861 -5.763 1.00 33.35 H new ATOM 0 HD22 LEU A 36 4.319 17.639 -7.352 1.00 33.35 H new ATOM 0 HD23 LEU A 36 2.690 17.248 -6.749 1.00 33.35 H new ATOM 593 N PRO A 37 1.407 17.267 -10.847 1.00 12.30 N ATOM 594 CA PRO A 37 1.076 17.689 -12.212 1.00 21.45 C ATOM 595 C PRO A 37 2.130 17.254 -13.224 1.00 70.51 C ATOM 596 O PRO A 37 3.326 17.454 -13.013 1.00 55.34 O ATOM 597 CB PRO A 37 1.030 19.215 -12.110 1.00 40.21 C ATOM 598 CG PRO A 37 1.912 19.545 -10.956 1.00 65.00 C ATOM 599 CD PRO A 37 1.768 18.406 -9.985 1.00 70.44 C ATOM 0 HA PRO A 37 0.145 17.244 -12.562 1.00 21.45 H new ATOM 0 HB2 PRO A 37 1.386 19.684 -13.027 1.00 40.21 H new ATOM 0 HB3 PRO A 37 0.013 19.570 -11.945 1.00 40.21 H new ATOM 0 HG2 PRO A 37 2.948 19.656 -11.276 1.00 65.00 H new ATOM 0 HG3 PRO A 37 1.617 20.489 -10.497 1.00 65.00 H new ATOM 0 HD2 PRO A 37 2.695 18.221 -9.442 1.00 70.44 H new ATOM 0 HD3 PRO A 37 0.997 18.607 -9.241 1.00 70.44 H new ATOM 607 N GLU A 38 1.678 16.657 -14.323 1.00 51.50 N ATOM 608 CA GLU A 38 2.584 16.194 -15.368 1.00 13.14 C ATOM 609 C GLU A 38 1.823 15.904 -16.658 1.00 51.22 C ATOM 610 O GLU A 38 1.969 16.616 -17.651 1.00 63.42 O ATOM 611 CB GLU A 38 3.328 14.939 -14.908 1.00 72.52 C ATOM 612 CG GLU A 38 4.775 15.196 -14.521 1.00 75.34 C ATOM 613 CD GLU A 38 5.253 14.280 -13.412 1.00 24.40 C ATOM 614 OE1 GLU A 38 5.920 14.776 -12.480 1.00 10.13 O ATOM 615 OE2 GLU A 38 4.962 13.067 -13.476 1.00 3.12 O ATOM 0 H GLU A 38 0.691 16.483 -14.512 1.00 51.50 H new ATOM 0 HA GLU A 38 3.308 16.985 -15.564 1.00 13.14 H new ATOM 0 HB2 GLU A 38 2.804 14.508 -14.055 1.00 72.52 H new ATOM 0 HB3 GLU A 38 3.301 14.198 -15.706 1.00 72.52 H new ATOM 0 HG2 GLU A 38 5.411 15.063 -15.396 1.00 75.34 H new ATOM 0 HG3 GLU A 38 4.884 16.233 -14.203 1.00 75.34 H new ATOM 622 N GLY A 39 1.010 14.853 -16.635 1.00 75.55 N ATOM 623 CA GLY A 39 0.238 14.486 -17.809 1.00 22.22 C ATOM 624 C GLY A 39 0.125 12.984 -17.982 1.00 51.21 C ATOM 625 O GLY A 39 -0.688 12.503 -18.771 1.00 51.12 O ATOM 0 H GLY A 39 0.872 14.249 -15.825 1.00 75.55 H new ATOM 0 HA2 GLY A 39 -0.761 14.916 -17.732 1.00 22.22 H new ATOM 0 HA3 GLY A 39 0.703 14.917 -18.695 1.00 22.22 H new ATOM 629 N SER A 40 0.944 12.241 -17.244 1.00 14.41 N ATOM 630 CA SER A 40 0.936 10.785 -17.324 1.00 14.43 C ATOM 631 C SER A 40 1.024 10.165 -15.933 1.00 32.42 C ATOM 632 O SER A 40 2.076 10.193 -15.294 1.00 70.31 O ATOM 633 CB SER A 40 2.098 10.294 -18.188 1.00 43.54 C ATOM 634 OG SER A 40 3.328 10.843 -17.748 1.00 44.10 O ATOM 0 H SER A 40 1.621 12.623 -16.584 1.00 14.41 H new ATOM 0 HA SER A 40 -0.003 10.476 -17.782 1.00 14.43 H new ATOM 0 HB2 SER A 40 2.148 9.206 -18.151 1.00 43.54 H new ATOM 0 HB3 SER A 40 1.924 10.570 -19.228 1.00 43.54 H new ATOM 0 HG SER A 40 3.347 10.858 -16.768 1.00 44.10 H new ATOM 640 N ASP A 41 -0.089 9.605 -15.470 1.00 65.22 N ATOM 641 CA ASP A 41 -0.138 8.976 -14.156 1.00 33.34 C ATOM 642 C ASP A 41 -0.140 7.455 -14.280 1.00 42.35 C ATOM 643 O ASP A 41 0.346 6.749 -13.397 1.00 32.21 O ATOM 644 CB ASP A 41 -1.380 9.438 -13.392 1.00 10.31 C ATOM 645 CG ASP A 41 -1.285 10.887 -12.956 1.00 53.32 C ATOM 646 OD1 ASP A 41 -0.246 11.523 -13.232 1.00 13.43 O ATOM 647 OD2 ASP A 41 -2.251 11.386 -12.341 1.00 24.44 O ATOM 0 H ASP A 41 -0.969 9.574 -15.986 1.00 65.22 H new ATOM 0 HA ASP A 41 0.753 9.277 -13.604 1.00 33.34 H new ATOM 0 HB2 ASP A 41 -2.260 9.308 -14.022 1.00 10.31 H new ATOM 0 HB3 ASP A 41 -1.520 8.806 -12.515 1.00 10.31 H new ATOM 652 N VAL A 42 -0.690 6.958 -15.383 1.00 71.35 N ATOM 653 CA VAL A 42 -0.755 5.521 -15.624 1.00 52.23 C ATOM 654 C VAL A 42 0.103 5.125 -16.821 1.00 13.22 C ATOM 655 O VAL A 42 0.119 5.814 -17.841 1.00 33.01 O ATOM 656 CB VAL A 42 -2.204 5.058 -15.869 1.00 44.24 C ATOM 657 CG1 VAL A 42 -2.246 3.565 -16.158 1.00 45.45 C ATOM 658 CG2 VAL A 42 -3.082 5.404 -14.676 1.00 61.54 C ATOM 0 H VAL A 42 -1.097 7.529 -16.124 1.00 71.35 H new ATOM 0 HA VAL A 42 -0.372 5.032 -14.728 1.00 52.23 H new ATOM 0 HB VAL A 42 -2.593 5.583 -16.741 1.00 44.24 H new ATOM 0 HG11 VAL A 42 -3.277 3.256 -16.328 1.00 45.45 H new ATOM 0 HG12 VAL A 42 -1.651 3.349 -17.046 1.00 45.45 H new ATOM 0 HG13 VAL A 42 -1.839 3.018 -15.307 1.00 45.45 H new ATOM 0 HG21 VAL A 42 -4.102 5.070 -14.866 1.00 61.54 H new ATOM 0 HG22 VAL A 42 -2.697 4.907 -13.785 1.00 61.54 H new ATOM 0 HG23 VAL A 42 -3.077 6.483 -14.521 1.00 61.54 H new ATOM 668 N TRP A 43 0.814 4.012 -16.689 1.00 30.44 N ATOM 669 CA TRP A 43 1.675 3.523 -17.760 1.00 12.01 C ATOM 670 C TRP A 43 1.195 2.168 -18.269 1.00 12.31 C ATOM 671 O TRP A 43 1.284 1.163 -17.564 1.00 74.44 O ATOM 672 CB TRP A 43 3.120 3.415 -17.272 1.00 3.34 C ATOM 673 CG TRP A 43 4.117 3.980 -18.238 1.00 3.24 C ATOM 674 CD1 TRP A 43 4.012 4.013 -19.599 1.00 12.02 C ATOM 675 CD2 TRP A 43 5.371 4.591 -17.915 1.00 43.45 C ATOM 676 NE1 TRP A 43 5.125 4.608 -20.142 1.00 71.23 N ATOM 677 CE2 TRP A 43 5.973 4.972 -19.131 1.00 4.33 C ATOM 678 CE3 TRP A 43 6.043 4.856 -16.719 1.00 61.01 C ATOM 679 CZ2 TRP A 43 7.214 5.601 -19.181 1.00 44.50 C ATOM 680 CZ3 TRP A 43 7.275 5.480 -16.771 1.00 12.22 C ATOM 681 CH2 TRP A 43 7.850 5.848 -17.994 1.00 51.15 C ATOM 0 H TRP A 43 0.812 3.430 -15.851 1.00 30.44 H new ATOM 0 HA TRP A 43 1.629 4.236 -18.583 1.00 12.01 H new ATOM 0 HB2 TRP A 43 3.214 3.935 -16.319 1.00 3.34 H new ATOM 0 HB3 TRP A 43 3.357 2.367 -17.088 1.00 3.34 H new ATOM 0 HD1 TRP A 43 3.177 3.628 -20.165 1.00 12.02 H new ATOM 0 HE1 TRP A 43 5.292 4.755 -21.137 1.00 71.23 H new ATOM 0 HE3 TRP A 43 5.607 4.578 -15.771 1.00 61.01 H new ATOM 0 HZ2 TRP A 43 7.659 5.884 -20.123 1.00 44.50 H new ATOM 0 HZ3 TRP A 43 7.804 5.688 -15.852 1.00 12.22 H new ATOM 0 HH2 TRP A 43 8.813 6.336 -18.001 1.00 51.15 H new ATOM 692 N VAL A 44 0.686 2.148 -19.497 1.00 1.52 N ATOM 693 CA VAL A 44 0.193 0.916 -20.100 1.00 43.24 C ATOM 694 C VAL A 44 1.201 0.350 -21.095 1.00 13.13 C ATOM 695 O VAL A 44 1.465 0.951 -22.137 1.00 11.34 O ATOM 696 CB VAL A 44 -1.150 1.142 -20.819 1.00 71.54 C ATOM 697 CG1 VAL A 44 -1.705 -0.176 -21.340 1.00 10.33 C ATOM 698 CG2 VAL A 44 -2.145 1.818 -19.889 1.00 11.32 C ATOM 0 H VAL A 44 0.604 2.971 -20.093 1.00 1.52 H new ATOM 0 HA VAL A 44 0.047 0.202 -19.289 1.00 43.24 H new ATOM 0 HB VAL A 44 -0.980 1.800 -21.671 1.00 71.54 H new ATOM 0 HG11 VAL A 44 -2.654 0.003 -21.845 1.00 10.33 H new ATOM 0 HG12 VAL A 44 -0.998 -0.616 -22.043 1.00 10.33 H new ATOM 0 HG13 VAL A 44 -1.861 -0.860 -20.506 1.00 10.33 H new ATOM 0 HG21 VAL A 44 -3.088 1.970 -20.414 1.00 11.32 H new ATOM 0 HG22 VAL A 44 -2.313 1.188 -19.016 1.00 11.32 H new ATOM 0 HG23 VAL A 44 -1.748 2.782 -19.570 1.00 11.32 H new ATOM 708 N CYS A 45 1.760 -0.809 -20.767 1.00 33.44 N ATOM 709 CA CYS A 45 2.739 -1.458 -21.631 1.00 44.32 C ATOM 710 C CYS A 45 2.081 -2.534 -22.488 1.00 34.12 C ATOM 711 O CYS A 45 1.869 -3.659 -22.034 1.00 33.21 O ATOM 712 CB CYS A 45 3.862 -2.072 -20.794 1.00 3.42 C ATOM 713 SG CYS A 45 5.298 -2.600 -21.758 1.00 33.11 S ATOM 0 H CYS A 45 1.552 -1.319 -19.908 1.00 33.44 H new ATOM 0 HA CYS A 45 3.161 -0.701 -22.292 1.00 44.32 H new ATOM 0 HB2 CYS A 45 4.185 -1.344 -20.050 1.00 3.42 H new ATOM 0 HB3 CYS A 45 3.467 -2.930 -20.250 1.00 3.42 H new ATOM 0 HG CYS A 45 6.194 -3.104 -20.962 1.00 33.11 H new ATOM 719 N CYS A 46 1.758 -2.181 -23.727 1.00 32.00 N ATOM 720 CA CYS A 46 1.120 -3.116 -24.647 1.00 23.30 C ATOM 721 C CYS A 46 2.135 -4.113 -25.199 1.00 15.04 C ATOM 722 O CYS A 46 3.334 -4.002 -24.940 1.00 33.41 O ATOM 723 CB CYS A 46 0.454 -2.359 -25.797 1.00 21.04 C ATOM 724 SG CYS A 46 -0.954 -1.343 -25.293 1.00 52.11 S ATOM 0 H CYS A 46 1.927 -1.254 -24.118 1.00 32.00 H new ATOM 0 HA CYS A 46 0.358 -3.667 -24.096 1.00 23.30 H new ATOM 0 HB2 CYS A 46 1.196 -1.720 -26.276 1.00 21.04 H new ATOM 0 HB3 CYS A 46 0.121 -3.077 -26.546 1.00 21.04 H new ATOM 0 HG CYS A 46 -1.898 -2.108 -24.831 1.00 52.11 H new ATOM 730 N LEU A 47 1.646 -5.087 -25.958 1.00 52.13 N ATOM 731 CA LEU A 47 2.509 -6.105 -26.546 1.00 24.42 C ATOM 732 C LEU A 47 3.424 -5.499 -27.606 1.00 14.05 C ATOM 733 O LEU A 47 3.146 -4.439 -28.167 1.00 71.24 O ATOM 734 CB LEU A 47 1.666 -7.223 -27.162 1.00 64.13 C ATOM 735 CG LEU A 47 1.352 -7.083 -28.652 1.00 64.12 C ATOM 736 CD1 LEU A 47 0.557 -8.282 -29.145 1.00 63.12 C ATOM 737 CD2 LEU A 47 0.593 -5.791 -28.918 1.00 61.52 C ATOM 0 H LEU A 47 0.656 -5.193 -26.181 1.00 52.13 H new ATOM 0 HA LEU A 47 3.130 -6.521 -25.753 1.00 24.42 H new ATOM 0 HB2 LEU A 47 2.185 -8.169 -27.008 1.00 64.13 H new ATOM 0 HB3 LEU A 47 0.724 -7.283 -26.617 1.00 64.13 H new ATOM 0 HG LEU A 47 2.293 -7.047 -29.200 1.00 64.12 H new ATOM 0 HD11 LEU A 47 0.343 -8.165 -30.207 1.00 63.12 H new ATOM 0 HD12 LEU A 47 1.137 -9.192 -28.990 1.00 63.12 H new ATOM 0 HD13 LEU A 47 -0.380 -8.350 -28.591 1.00 63.12 H new ATOM 0 HD21 LEU A 47 0.378 -5.708 -29.983 1.00 61.52 H new ATOM 0 HD22 LEU A 47 -0.342 -5.797 -28.358 1.00 61.52 H new ATOM 0 HD23 LEU A 47 1.199 -4.942 -28.603 1.00 61.52 H new ATOM 749 N PRO A 48 4.540 -6.187 -27.888 1.00 0.40 N ATOM 750 CA PRO A 48 5.517 -5.736 -28.884 1.00 74.11 C ATOM 751 C PRO A 48 4.979 -5.833 -30.308 1.00 22.31 C ATOM 752 O PRO A 48 4.820 -6.928 -30.848 1.00 22.11 O ATOM 753 CB PRO A 48 6.691 -6.698 -28.689 1.00 45.32 C ATOM 754 CG PRO A 48 6.083 -7.927 -28.107 1.00 53.43 C ATOM 755 CD PRO A 48 4.935 -7.457 -27.257 1.00 72.30 C ATOM 0 HA PRO A 48 5.781 -4.687 -28.751 1.00 74.11 H new ATOM 0 HB2 PRO A 48 7.188 -6.912 -29.635 1.00 45.32 H new ATOM 0 HB3 PRO A 48 7.443 -6.275 -28.023 1.00 45.32 H new ATOM 0 HG2 PRO A 48 5.738 -8.601 -28.891 1.00 53.43 H new ATOM 0 HG3 PRO A 48 6.810 -8.478 -27.511 1.00 53.43 H new ATOM 0 HD2 PRO A 48 4.116 -8.176 -27.255 1.00 72.30 H new ATOM 0 HD3 PRO A 48 5.236 -7.313 -26.219 1.00 72.30 H new ATOM 763 N ARG A 49 4.702 -4.682 -30.911 1.00 12.34 N ATOM 764 CA ARG A 49 4.182 -4.638 -32.272 1.00 15.22 C ATOM 765 C ARG A 49 4.438 -3.275 -32.908 1.00 41.12 C ATOM 766 O ARG A 49 4.676 -3.176 -34.112 1.00 54.41 O ATOM 767 CB ARG A 49 2.682 -4.941 -32.277 1.00 61.15 C ATOM 768 CG ARG A 49 1.833 -3.827 -31.687 1.00 42.14 C ATOM 769 CD ARG A 49 1.281 -2.914 -32.771 1.00 11.11 C ATOM 770 NE ARG A 49 0.474 -1.831 -32.215 1.00 40.12 N ATOM 771 CZ ARG A 49 -0.751 -2.001 -31.730 1.00 62.22 C ATOM 772 NH1 ARG A 49 -1.307 -3.205 -31.732 1.00 43.12 N ATOM 773 NH2 ARG A 49 -1.422 -0.966 -31.241 1.00 71.34 N ATOM 0 H ARG A 49 4.829 -3.767 -30.478 1.00 12.34 H new ATOM 0 HA ARG A 49 4.702 -5.396 -32.858 1.00 15.22 H new ATOM 0 HB2 ARG A 49 2.361 -5.127 -33.302 1.00 61.15 H new ATOM 0 HB3 ARG A 49 2.503 -5.858 -31.716 1.00 61.15 H new ATOM 0 HG2 ARG A 49 1.009 -4.258 -31.118 1.00 42.14 H new ATOM 0 HG3 ARG A 49 2.432 -3.243 -30.988 1.00 42.14 H new ATOM 0 HD2 ARG A 49 2.106 -2.493 -33.346 1.00 11.11 H new ATOM 0 HD3 ARG A 49 0.676 -3.498 -33.464 1.00 11.11 H new ATOM 0 HE ARG A 49 0.873 -0.892 -32.198 1.00 40.12 H new ATOM 0 HH11 ARG A 49 -0.794 -4.003 -32.106 1.00 43.12 H new ATOM 0 HH12 ARG A 49 -2.248 -3.333 -31.359 1.00 43.12 H new ATOM 0 HH21 ARG A 49 -0.997 -0.039 -31.237 1.00 71.34 H new ATOM 0 HH22 ARG A 49 -2.363 -1.098 -30.869 1.00 71.34 H new ATOM 787 N ASP A 50 4.388 -2.228 -32.092 1.00 41.00 N ATOM 788 CA ASP A 50 4.616 -0.871 -32.575 1.00 15.34 C ATOM 789 C ASP A 50 5.936 -0.320 -32.045 1.00 14.34 C ATOM 790 O ASP A 50 6.194 0.881 -32.122 1.00 42.34 O ATOM 791 CB ASP A 50 3.462 0.042 -32.155 1.00 44.44 C ATOM 792 CG ASP A 50 2.748 0.656 -33.344 1.00 22.23 C ATOM 793 OD1 ASP A 50 1.596 0.258 -33.614 1.00 35.21 O ATOM 794 OD2 ASP A 50 3.342 1.535 -34.003 1.00 34.40 O ATOM 0 H ASP A 50 4.192 -2.293 -31.093 1.00 41.00 H new ATOM 0 HA ASP A 50 4.668 -0.902 -33.663 1.00 15.34 H new ATOM 0 HB2 ASP A 50 2.748 -0.529 -31.561 1.00 44.44 H new ATOM 0 HB3 ASP A 50 3.845 0.837 -31.515 1.00 44.44 H new ATOM 799 N SER A 51 6.767 -1.205 -31.505 1.00 33.51 N ATOM 800 CA SER A 51 8.058 -0.807 -30.957 1.00 62.13 C ATOM 801 C SER A 51 7.879 -0.011 -29.668 1.00 43.33 C ATOM 802 O SER A 51 8.218 1.172 -29.603 1.00 65.30 O ATOM 803 CB SER A 51 8.835 0.024 -31.980 1.00 41.01 C ATOM 804 OG SER A 51 10.232 -0.082 -31.768 1.00 2.23 O ATOM 0 H SER A 51 6.569 -2.203 -31.435 1.00 33.51 H new ATOM 0 HA SER A 51 8.623 -1.711 -30.729 1.00 62.13 H new ATOM 0 HB2 SER A 51 8.590 -0.312 -32.988 1.00 41.01 H new ATOM 0 HB3 SER A 51 8.532 1.069 -31.910 1.00 41.01 H new ATOM 0 HG SER A 51 10.706 0.457 -32.435 1.00 2.23 H new ATOM 810 N LEU A 52 7.344 -0.667 -28.645 1.00 3.34 N ATOM 811 CA LEU A 52 7.120 -0.021 -27.356 1.00 35.43 C ATOM 812 C LEU A 52 6.081 1.090 -27.477 1.00 24.43 C ATOM 813 O LEU A 52 6.423 2.272 -27.525 1.00 62.22 O ATOM 814 CB LEU A 52 8.431 0.548 -26.812 1.00 63.24 C ATOM 815 CG LEU A 52 9.082 -0.236 -25.672 1.00 71.22 C ATOM 816 CD1 LEU A 52 9.522 -1.611 -26.152 1.00 52.53 C ATOM 817 CD2 LEU A 52 10.263 0.535 -25.101 1.00 21.40 C ATOM 0 H LEU A 52 7.057 -1.645 -28.682 1.00 3.34 H new ATOM 0 HA LEU A 52 6.743 -0.772 -26.662 1.00 35.43 H new ATOM 0 HB2 LEU A 52 9.144 0.614 -27.634 1.00 63.24 H new ATOM 0 HB3 LEU A 52 8.247 1.566 -26.467 1.00 63.24 H new ATOM 0 HG LEU A 52 8.344 -0.369 -24.881 1.00 71.22 H new ATOM 0 HD11 LEU A 52 9.983 -2.154 -25.327 1.00 52.53 H new ATOM 0 HD12 LEU A 52 8.655 -2.165 -26.512 1.00 52.53 H new ATOM 0 HD13 LEU A 52 10.244 -1.500 -26.961 1.00 52.53 H new ATOM 0 HD21 LEU A 52 10.714 -0.038 -24.291 1.00 21.40 H new ATOM 0 HD22 LEU A 52 11.003 0.700 -25.884 1.00 21.40 H new ATOM 0 HD23 LEU A 52 9.919 1.496 -24.718 1.00 21.40 H new ATOM 829 N THR A 53 4.810 0.702 -27.523 1.00 43.50 N ATOM 830 CA THR A 53 3.722 1.665 -27.637 1.00 71.00 C ATOM 831 C THR A 53 3.168 2.034 -26.266 1.00 21.35 C ATOM 832 O THR A 53 1.956 2.155 -26.086 1.00 55.13 O ATOM 833 CB THR A 53 2.577 1.118 -28.510 1.00 60.51 C ATOM 834 OG1 THR A 53 3.047 0.023 -29.304 1.00 61.42 O ATOM 835 CG2 THR A 53 2.020 2.205 -29.416 1.00 13.10 C ATOM 0 H THR A 53 4.509 -0.272 -27.483 1.00 43.50 H new ATOM 0 HA THR A 53 4.137 2.555 -28.110 1.00 71.00 H new ATOM 0 HB THR A 53 1.780 0.773 -27.851 1.00 60.51 H new ATOM 0 HG1 THR A 53 2.310 -0.602 -29.468 1.00 61.42 H new ATOM 0 HG21 THR A 53 1.213 1.795 -30.023 1.00 13.10 H new ATOM 0 HG22 THR A 53 1.637 3.024 -28.808 1.00 13.10 H new ATOM 0 HG23 THR A 53 2.811 2.576 -30.068 1.00 13.10 H new ATOM 843 N LEU A 54 4.063 2.212 -25.300 1.00 31.42 N ATOM 844 CA LEU A 54 3.663 2.568 -23.943 1.00 23.12 C ATOM 845 C LEU A 54 2.765 3.801 -23.946 1.00 23.14 C ATOM 846 O LEU A 54 3.153 4.862 -24.434 1.00 11.31 O ATOM 847 CB LEU A 54 4.898 2.824 -23.077 1.00 42.32 C ATOM 848 CG LEU A 54 5.775 1.607 -22.781 1.00 33.10 C ATOM 849 CD1 LEU A 54 7.177 1.812 -23.333 1.00 72.52 C ATOM 850 CD2 LEU A 54 5.823 1.336 -21.284 1.00 42.13 C ATOM 0 H LEU A 54 5.070 2.116 -25.431 1.00 31.42 H new ATOM 0 HA LEU A 54 3.101 1.733 -23.525 1.00 23.12 H new ATOM 0 HB2 LEU A 54 5.512 3.578 -23.569 1.00 42.32 H new ATOM 0 HB3 LEU A 54 4.570 3.250 -22.129 1.00 42.32 H new ATOM 0 HG LEU A 54 5.337 0.739 -23.273 1.00 33.10 H new ATOM 0 HD11 LEU A 54 7.787 0.936 -23.113 1.00 72.52 H new ATOM 0 HD12 LEU A 54 7.126 1.956 -24.412 1.00 72.52 H new ATOM 0 HD13 LEU A 54 7.625 2.691 -22.870 1.00 72.52 H new ATOM 0 HD21 LEU A 54 6.452 0.466 -21.092 1.00 42.13 H new ATOM 0 HD22 LEU A 54 6.237 2.204 -20.770 1.00 42.13 H new ATOM 0 HD23 LEU A 54 4.815 1.143 -20.917 1.00 42.13 H new ATOM 862 N SER A 55 1.565 3.653 -23.395 1.00 55.30 N ATOM 863 CA SER A 55 0.610 4.754 -23.335 1.00 45.53 C ATOM 864 C SER A 55 0.611 5.400 -21.953 1.00 24.22 C ATOM 865 O SER A 55 0.337 4.743 -20.949 1.00 54.01 O ATOM 866 CB SER A 55 -0.796 4.258 -23.678 1.00 5.11 C ATOM 867 OG SER A 55 -1.397 5.074 -24.669 1.00 20.45 O ATOM 0 H SER A 55 1.230 2.782 -22.984 1.00 55.30 H new ATOM 0 HA SER A 55 0.911 5.503 -24.067 1.00 45.53 H new ATOM 0 HB2 SER A 55 -0.746 3.228 -24.032 1.00 5.11 H new ATOM 0 HB3 SER A 55 -1.414 4.257 -22.780 1.00 5.11 H new ATOM 0 HG SER A 55 -2.294 4.735 -24.872 1.00 20.45 H new ATOM 873 N ALA A 56 0.923 6.691 -21.910 1.00 11.13 N ATOM 874 CA ALA A 56 0.958 7.427 -20.652 1.00 21.20 C ATOM 875 C ALA A 56 -0.122 8.503 -20.615 1.00 22.21 C ATOM 876 O ALA A 56 -0.212 9.336 -21.516 1.00 10.21 O ATOM 877 CB ALA A 56 2.331 8.047 -20.442 1.00 4.23 C ATOM 0 H ALA A 56 1.155 7.249 -22.732 1.00 11.13 H new ATOM 0 HA ALA A 56 0.761 6.724 -19.843 1.00 21.20 H new ATOM 0 HB1 ALA A 56 2.343 8.594 -19.499 1.00 4.23 H new ATOM 0 HB2 ALA A 56 3.085 7.260 -20.415 1.00 4.23 H new ATOM 0 HB3 ALA A 56 2.550 8.732 -21.261 1.00 4.23 H new ATOM 883 N ALA A 57 -0.940 8.478 -19.568 1.00 5.14 N ATOM 884 CA ALA A 57 -2.013 9.452 -19.413 1.00 44.40 C ATOM 885 C ALA A 57 -2.397 9.617 -17.947 1.00 15.23 C ATOM 886 O ALA A 57 -2.383 8.655 -17.180 1.00 11.52 O ATOM 887 CB ALA A 57 -3.224 9.038 -20.235 1.00 41.44 C ATOM 0 H ALA A 57 -0.880 7.793 -18.814 1.00 5.14 H new ATOM 0 HA ALA A 57 -1.653 10.414 -19.777 1.00 44.40 H new ATOM 0 HB1 ALA A 57 -4.018 9.774 -20.110 1.00 41.44 H new ATOM 0 HB2 ALA A 57 -2.946 8.979 -21.287 1.00 41.44 H new ATOM 0 HB3 ALA A 57 -3.577 8.063 -19.898 1.00 41.44 H new ATOM 893 N ASN A 58 -2.741 10.843 -17.564 1.00 23.10 N ATOM 894 CA ASN A 58 -3.128 11.134 -16.188 1.00 73.54 C ATOM 895 C ASN A 58 -4.583 11.587 -16.117 1.00 74.34 C ATOM 896 O ASN A 58 -4.914 12.709 -16.499 1.00 1.54 O ATOM 897 CB ASN A 58 -2.217 12.211 -15.597 1.00 15.13 C ATOM 898 CG ASN A 58 -2.326 13.530 -16.337 1.00 42.11 C ATOM 899 OD1 ASN A 58 -2.685 13.566 -17.514 1.00 51.40 O ATOM 900 ND2 ASN A 58 -2.014 14.622 -15.649 1.00 12.13 N ATOM 0 H ASN A 58 -2.760 11.650 -18.187 1.00 23.10 H new ATOM 0 HA ASN A 58 -3.022 10.219 -15.605 1.00 73.54 H new ATOM 0 HB2 ASN A 58 -2.472 12.364 -14.548 1.00 15.13 H new ATOM 0 HB3 ASN A 58 -1.184 11.865 -15.626 1.00 15.13 H new ATOM 0 HD21 ASN A 58 -2.067 15.538 -16.095 1.00 12.13 H new ATOM 0 HD22 ASN A 58 -1.721 14.545 -14.675 1.00 12.13 H new ATOM 907 N SER A 59 -5.449 10.705 -15.626 1.00 43.33 N ATOM 908 CA SER A 59 -6.869 11.013 -15.508 1.00 52.00 C ATOM 909 C SER A 59 -7.437 11.481 -16.845 1.00 3.55 C ATOM 910 O SER A 59 -8.356 12.298 -16.888 1.00 34.22 O ATOM 911 CB SER A 59 -7.093 12.087 -14.442 1.00 21.25 C ATOM 912 OG SER A 59 -8.184 11.752 -13.602 1.00 32.02 O ATOM 0 H SER A 59 -5.192 9.772 -15.304 1.00 43.33 H new ATOM 0 HA SER A 59 -7.389 10.102 -15.211 1.00 52.00 H new ATOM 0 HB2 SER A 59 -6.190 12.202 -13.842 1.00 21.25 H new ATOM 0 HB3 SER A 59 -7.281 13.047 -14.922 1.00 21.25 H new ATOM 0 HG SER A 59 -8.306 12.453 -12.928 1.00 32.02 H new ATOM 918 N GLU A 60 -6.881 10.958 -17.933 1.00 5.14 N ATOM 919 CA GLU A 60 -7.330 11.323 -19.271 1.00 14.33 C ATOM 920 C GLU A 60 -7.893 10.110 -20.006 1.00 24.13 C ATOM 921 O GLU A 60 -8.756 10.241 -20.873 1.00 53.52 O ATOM 922 CB GLU A 60 -6.177 11.930 -20.073 1.00 32.02 C ATOM 923 CG GLU A 60 -6.621 12.977 -21.081 1.00 33.43 C ATOM 924 CD GLU A 60 -5.695 14.176 -21.123 1.00 4.11 C ATOM 925 OE1 GLU A 60 -6.198 15.309 -21.277 1.00 61.31 O ATOM 926 OE2 GLU A 60 -4.467 13.983 -21.002 1.00 60.43 O ATOM 0 H GLU A 60 -6.119 10.280 -17.914 1.00 5.14 H new ATOM 0 HA GLU A 60 -8.122 12.065 -19.170 1.00 14.33 H new ATOM 0 HB2 GLU A 60 -5.464 12.381 -19.383 1.00 32.02 H new ATOM 0 HB3 GLU A 60 -5.651 11.132 -20.598 1.00 32.02 H new ATOM 0 HG2 GLU A 60 -6.669 12.525 -22.072 1.00 33.43 H new ATOM 0 HG3 GLU A 60 -7.629 13.310 -20.833 1.00 33.43 H new ATOM 933 N ASP A 61 -7.396 8.929 -19.653 1.00 1.53 N ATOM 934 CA ASP A 61 -7.848 7.692 -20.278 1.00 30.24 C ATOM 935 C ASP A 61 -8.919 7.014 -19.429 1.00 1.05 C ATOM 936 O ASP A 61 -8.627 6.469 -18.365 1.00 32.13 O ATOM 937 CB ASP A 61 -6.669 6.741 -20.488 1.00 4.03 C ATOM 938 CG ASP A 61 -7.036 5.541 -21.338 1.00 55.23 C ATOM 939 OD1 ASP A 61 -7.208 4.442 -20.771 1.00 65.53 O ATOM 940 OD2 ASP A 61 -7.154 5.702 -22.571 1.00 12.12 O ATOM 0 H ASP A 61 -6.680 8.803 -18.937 1.00 1.53 H new ATOM 0 HA ASP A 61 -8.281 7.941 -21.247 1.00 30.24 H new ATOM 0 HB2 ASP A 61 -5.850 7.282 -20.963 1.00 4.03 H new ATOM 0 HB3 ASP A 61 -6.305 6.399 -19.519 1.00 4.03 H new ATOM 945 N GLU A 62 -10.159 7.054 -19.906 1.00 62.33 N ATOM 946 CA GLU A 62 -11.273 6.445 -19.189 1.00 61.42 C ATOM 947 C GLU A 62 -12.377 6.025 -20.155 1.00 54.20 C ATOM 948 O GLU A 62 -13.528 5.847 -19.759 1.00 55.03 O ATOM 949 CB GLU A 62 -11.832 7.418 -18.149 1.00 71.14 C ATOM 950 CG GLU A 62 -11.587 6.983 -16.714 1.00 62.44 C ATOM 951 CD GLU A 62 -12.270 7.886 -15.706 1.00 32.40 C ATOM 952 OE1 GLU A 62 -11.968 7.763 -14.500 1.00 75.43 O ATOM 953 OE2 GLU A 62 -13.106 8.715 -16.122 1.00 33.52 O ATOM 0 H GLU A 62 -10.417 7.502 -20.785 1.00 62.33 H new ATOM 0 HA GLU A 62 -10.902 5.555 -18.680 1.00 61.42 H new ATOM 0 HB2 GLU A 62 -11.383 8.399 -18.304 1.00 71.14 H new ATOM 0 HB3 GLU A 62 -12.905 7.529 -18.308 1.00 71.14 H new ATOM 0 HG2 GLU A 62 -11.944 5.962 -16.582 1.00 62.44 H new ATOM 0 HG3 GLU A 62 -10.515 6.973 -16.519 1.00 62.44 H new ATOM 960 N GLY A 63 -12.017 5.870 -21.426 1.00 31.35 N ATOM 961 CA GLY A 63 -12.988 5.473 -22.429 1.00 10.43 C ATOM 962 C GLY A 63 -13.500 4.063 -22.214 1.00 54.03 C ATOM 963 O GLY A 63 -14.448 3.849 -21.458 1.00 63.04 O ATOM 0 H GLY A 63 -11.071 6.012 -21.779 1.00 31.35 H new ATOM 0 HA2 GLY A 63 -13.828 6.168 -22.412 1.00 10.43 H new ATOM 0 HA3 GLY A 63 -12.535 5.545 -23.418 1.00 10.43 H new ATOM 967 N GLN A 64 -12.874 3.100 -22.882 1.00 72.42 N ATOM 968 CA GLN A 64 -13.275 1.703 -22.762 1.00 61.22 C ATOM 969 C GLN A 64 -12.112 0.842 -22.279 1.00 41.44 C ATOM 970 O GLN A 64 -11.039 0.837 -22.884 1.00 21.15 O ATOM 971 CB GLN A 64 -13.788 1.180 -24.105 1.00 53.31 C ATOM 972 CG GLN A 64 -15.267 1.446 -24.336 1.00 40.43 C ATOM 973 CD GLN A 64 -15.510 2.565 -25.330 1.00 73.23 C ATOM 974 OE1 GLN A 64 -15.277 3.737 -25.033 1.00 73.20 O ATOM 975 NE2 GLN A 64 -15.981 2.208 -26.520 1.00 13.25 N ATOM 0 H GLN A 64 -12.088 3.261 -23.511 1.00 72.42 H new ATOM 0 HA GLN A 64 -14.077 1.644 -22.027 1.00 61.22 H new ATOM 0 HB2 GLN A 64 -13.214 1.642 -24.909 1.00 53.31 H new ATOM 0 HB3 GLN A 64 -13.607 0.107 -24.161 1.00 53.31 H new ATOM 0 HG2 GLN A 64 -15.744 0.535 -24.697 1.00 40.43 H new ATOM 0 HG3 GLN A 64 -15.739 1.699 -23.387 1.00 40.43 H new ATOM 0 HE21 GLN A 64 -16.160 1.225 -26.724 1.00 13.25 H new ATOM 0 HE22 GLN A 64 -16.164 2.917 -27.230 1.00 13.25 H new ATOM 984 N ILE A 65 -12.332 0.117 -21.188 1.00 10.30 N ATOM 985 CA ILE A 65 -11.302 -0.747 -20.625 1.00 72.12 C ATOM 986 C ILE A 65 -11.909 -2.022 -20.049 1.00 61.25 C ATOM 987 O ILE A 65 -12.998 -1.999 -19.476 1.00 30.41 O ATOM 988 CB ILE A 65 -10.505 -0.028 -19.521 1.00 43.33 C ATOM 989 CG1 ILE A 65 -9.475 -0.977 -18.905 1.00 2.40 C ATOM 990 CG2 ILE A 65 -11.445 0.509 -18.452 1.00 72.44 C ATOM 991 CD1 ILE A 65 -8.168 -0.303 -18.551 1.00 43.53 C ATOM 0 H ILE A 65 -13.214 0.111 -20.676 1.00 10.30 H new ATOM 0 HA ILE A 65 -10.626 -1.005 -21.440 1.00 72.12 H new ATOM 0 HB ILE A 65 -9.975 0.814 -19.966 1.00 43.33 H new ATOM 0 HG12 ILE A 65 -9.898 -1.426 -18.006 1.00 2.40 H new ATOM 0 HG13 ILE A 65 -9.278 -1.790 -19.604 1.00 2.40 H new ATOM 0 HG21 ILE A 65 -10.866 1.014 -17.679 1.00 72.44 H new ATOM 0 HG22 ILE A 65 -12.143 1.215 -18.902 1.00 72.44 H new ATOM 0 HG23 ILE A 65 -12.000 -0.317 -18.008 1.00 72.44 H new ATOM 0 HD11 ILE A 65 -7.486 -1.036 -18.119 1.00 43.53 H new ATOM 0 HD12 ILE A 65 -7.722 0.122 -19.450 1.00 43.53 H new ATOM 0 HD13 ILE A 65 -8.352 0.491 -17.828 1.00 43.53 H new ATOM 1003 N ARG A 66 -11.196 -3.133 -20.205 1.00 41.11 N ATOM 1004 CA ARG A 66 -11.664 -4.418 -19.700 1.00 63.12 C ATOM 1005 C ARG A 66 -10.607 -5.071 -18.814 1.00 33.04 C ATOM 1006 O ARG A 66 -9.408 -4.913 -19.041 1.00 4.44 O ATOM 1007 CB ARG A 66 -12.016 -5.349 -20.862 1.00 10.10 C ATOM 1008 CG ARG A 66 -13.511 -5.544 -21.054 1.00 51.14 C ATOM 1009 CD ARG A 66 -14.129 -6.297 -19.887 1.00 15.32 C ATOM 1010 NE ARG A 66 -15.498 -5.862 -19.619 1.00 22.45 N ATOM 1011 CZ ARG A 66 -16.350 -6.544 -18.861 1.00 40.10 C ATOM 1012 NH1 ARG A 66 -15.976 -7.685 -18.299 1.00 74.34 N ATOM 1013 NH2 ARG A 66 -17.579 -6.084 -18.664 1.00 3.54 N ATOM 0 H ARG A 66 -10.292 -3.169 -20.677 1.00 41.11 H new ATOM 0 HA ARG A 66 -12.557 -4.241 -19.101 1.00 63.12 H new ATOM 0 HB2 ARG A 66 -11.590 -4.947 -21.781 1.00 10.10 H new ATOM 0 HB3 ARG A 66 -11.550 -6.320 -20.693 1.00 10.10 H new ATOM 0 HG2 ARG A 66 -13.995 -4.573 -21.159 1.00 51.14 H new ATOM 0 HG3 ARG A 66 -13.692 -6.092 -21.979 1.00 51.14 H new ATOM 0 HD2 ARG A 66 -14.123 -7.366 -20.101 1.00 15.32 H new ATOM 0 HD3 ARG A 66 -13.520 -6.147 -18.996 1.00 15.32 H new ATOM 0 HE ARG A 66 -15.817 -4.988 -20.036 1.00 22.45 H new ATOM 0 HH11 ARG A 66 -15.032 -8.042 -18.448 1.00 74.34 H new ATOM 0 HH12 ARG A 66 -16.632 -8.206 -17.718 1.00 74.34 H new ATOM 0 HH21 ARG A 66 -17.870 -5.206 -19.095 1.00 3.54 H new ATOM 0 HH22 ARG A 66 -18.233 -6.608 -18.082 1.00 3.54 H new ATOM 1027 N TYR A 67 -11.062 -5.804 -17.803 1.00 65.35 N ATOM 1028 CA TYR A 67 -10.156 -6.479 -16.881 1.00 10.31 C ATOM 1029 C TYR A 67 -9.786 -7.866 -17.397 1.00 34.01 C ATOM 1030 O TYR A 67 -10.653 -8.717 -17.601 1.00 42.52 O ATOM 1031 CB TYR A 67 -10.796 -6.591 -15.496 1.00 62.21 C ATOM 1032 CG TYR A 67 -11.363 -5.287 -14.983 1.00 41.33 C ATOM 1033 CD1 TYR A 67 -10.555 -4.365 -14.329 1.00 22.13 C ATOM 1034 CD2 TYR A 67 -12.706 -4.976 -15.152 1.00 75.23 C ATOM 1035 CE1 TYR A 67 -11.069 -3.172 -13.858 1.00 25.22 C ATOM 1036 CE2 TYR A 67 -13.228 -3.785 -14.686 1.00 74.20 C ATOM 1037 CZ TYR A 67 -12.406 -2.887 -14.039 1.00 43.34 C ATOM 1038 OH TYR A 67 -12.922 -1.700 -13.572 1.00 51.22 O ATOM 0 H TYR A 67 -12.052 -5.946 -17.602 1.00 65.35 H new ATOM 0 HA TYR A 67 -9.245 -5.885 -16.806 1.00 10.31 H new ATOM 0 HB2 TYR A 67 -11.592 -7.334 -15.532 1.00 62.21 H new ATOM 0 HB3 TYR A 67 -10.051 -6.956 -14.789 1.00 62.21 H new ATOM 0 HD1 TYR A 67 -9.507 -4.585 -14.186 1.00 22.13 H new ATOM 0 HD2 TYR A 67 -13.354 -5.678 -15.657 1.00 75.23 H new ATOM 0 HE1 TYR A 67 -10.427 -2.467 -13.351 1.00 25.22 H new ATOM 0 HE2 TYR A 67 -14.274 -3.559 -14.828 1.00 74.20 H new ATOM 0 HH TYR A 67 -13.878 -1.654 -13.782 1.00 51.22 H new ATOM 1048 N PHE A 68 -8.493 -8.087 -17.605 1.00 64.30 N ATOM 1049 CA PHE A 68 -8.006 -9.371 -18.097 1.00 51.24 C ATOM 1050 C PHE A 68 -7.188 -10.089 -17.028 1.00 51.11 C ATOM 1051 O PHE A 68 -6.458 -9.459 -16.261 1.00 72.32 O ATOM 1052 CB PHE A 68 -7.158 -9.170 -19.355 1.00 72.32 C ATOM 1053 CG PHE A 68 -7.530 -10.091 -20.482 1.00 53.11 C ATOM 1054 CD1 PHE A 68 -6.585 -10.930 -21.050 1.00 10.30 C ATOM 1055 CD2 PHE A 68 -8.825 -10.117 -20.974 1.00 34.11 C ATOM 1056 CE1 PHE A 68 -6.924 -11.778 -22.087 1.00 32.41 C ATOM 1057 CE2 PHE A 68 -9.171 -10.964 -22.010 1.00 44.12 C ATOM 1058 CZ PHE A 68 -8.219 -11.795 -22.568 1.00 44.42 C ATOM 0 H PHE A 68 -7.763 -7.394 -17.441 1.00 64.30 H new ATOM 0 HA PHE A 68 -8.870 -9.989 -18.344 1.00 51.24 H new ATOM 0 HB2 PHE A 68 -7.260 -8.138 -19.691 1.00 72.32 H new ATOM 0 HB3 PHE A 68 -6.108 -9.322 -19.104 1.00 72.32 H new ATOM 0 HD1 PHE A 68 -5.571 -10.921 -20.678 1.00 10.30 H new ATOM 0 HD2 PHE A 68 -9.573 -9.468 -20.543 1.00 34.11 H new ATOM 0 HE1 PHE A 68 -6.178 -12.427 -22.521 1.00 32.41 H new ATOM 0 HE2 PHE A 68 -10.185 -10.976 -22.383 1.00 44.12 H new ATOM 0 HZ PHE A 68 -8.486 -12.457 -23.379 1.00 44.42 H new ATOM 1068 N LEU A 69 -7.316 -11.410 -16.983 1.00 23.45 N ATOM 1069 CA LEU A 69 -6.589 -12.216 -16.007 1.00 72.02 C ATOM 1070 C LEU A 69 -6.874 -13.701 -16.207 1.00 72.10 C ATOM 1071 O LEU A 69 -5.978 -14.498 -16.485 1.00 72.33 O ATOM 1072 CB LEU A 69 -6.971 -11.799 -14.586 1.00 1.41 C ATOM 1073 CG LEU A 69 -5.858 -11.164 -13.751 1.00 51.21 C ATOM 1074 CD1 LEU A 69 -6.444 -10.233 -12.701 1.00 23.15 C ATOM 1075 CD2 LEU A 69 -5.003 -12.239 -13.097 1.00 1.14 C ATOM 0 H LEU A 69 -7.916 -11.946 -17.610 1.00 23.45 H new ATOM 0 HA LEU A 69 -5.522 -12.046 -16.155 1.00 72.02 H new ATOM 0 HB2 LEU A 69 -7.800 -11.094 -14.646 1.00 1.41 H new ATOM 0 HB3 LEU A 69 -7.338 -12.678 -14.057 1.00 1.41 H new ATOM 0 HG LEU A 69 -5.223 -10.576 -14.413 1.00 51.21 H new ATOM 0 HD11 LEU A 69 -5.638 -9.790 -12.116 1.00 23.15 H new ATOM 0 HD12 LEU A 69 -7.012 -9.443 -13.192 1.00 23.15 H new ATOM 0 HD13 LEU A 69 -7.103 -10.798 -12.041 1.00 23.15 H new ATOM 0 HD21 LEU A 69 -4.216 -11.769 -12.507 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -5.626 -12.854 -12.447 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -4.554 -12.865 -13.868 1.00 1.14 H new ATOM 1087 N PRO A 70 -8.152 -14.083 -16.064 1.00 60.13 N ATOM 1088 CA PRO A 70 -8.585 -15.474 -16.228 1.00 14.04 C ATOM 1089 C PRO A 70 -8.506 -15.940 -17.677 1.00 44.44 C ATOM 1090 O PRO A 70 -8.629 -17.130 -17.965 1.00 31.45 O ATOM 1091 CB PRO A 70 -10.040 -15.450 -15.753 1.00 34.22 C ATOM 1092 CG PRO A 70 -10.485 -14.044 -15.965 1.00 73.34 C ATOM 1093 CD PRO A 70 -9.272 -13.187 -15.733 1.00 52.41 C ATOM 0 HA PRO A 70 -7.951 -16.166 -15.673 1.00 14.04 H new ATOM 0 HB2 PRO A 70 -10.653 -16.149 -16.321 1.00 34.22 H new ATOM 0 HB3 PRO A 70 -10.119 -15.736 -14.704 1.00 34.22 H new ATOM 0 HG2 PRO A 70 -10.874 -13.906 -16.974 1.00 73.34 H new ATOM 0 HG3 PRO A 70 -11.287 -13.780 -15.276 1.00 73.34 H new ATOM 0 HD2 PRO A 70 -9.279 -12.301 -16.368 1.00 52.41 H new ATOM 0 HD3 PRO A 70 -9.217 -12.839 -14.701 1.00 52.41 H new ATOM 1101 N ASP A 71 -8.298 -14.994 -18.587 1.00 12.10 N ATOM 1102 CA ASP A 71 -8.200 -15.308 -20.008 1.00 13.13 C ATOM 1103 C ASP A 71 -9.386 -16.154 -20.460 1.00 71.32 C ATOM 1104 O ASP A 71 -9.252 -17.013 -21.332 1.00 43.44 O ATOM 1105 CB ASP A 71 -6.892 -16.043 -20.300 1.00 64.43 C ATOM 1106 CG ASP A 71 -5.749 -15.561 -19.429 1.00 1.14 C ATOM 1107 OD1 ASP A 71 -5.217 -14.464 -19.701 1.00 22.13 O ATOM 1108 OD2 ASP A 71 -5.387 -16.280 -18.474 1.00 13.42 O ATOM 0 H ASP A 71 -8.194 -14.004 -18.366 1.00 12.10 H new ATOM 0 HA ASP A 71 -8.213 -14.371 -20.564 1.00 13.13 H new ATOM 0 HB2 ASP A 71 -7.037 -17.112 -20.145 1.00 64.43 H new ATOM 0 HB3 ASP A 71 -6.628 -15.906 -21.349 1.00 64.43 H new ATOM 1113 N ARG A 72 -10.546 -15.907 -19.861 1.00 11.04 N ATOM 1114 CA ARG A 72 -11.755 -16.648 -20.200 1.00 41.12 C ATOM 1115 C ARG A 72 -12.897 -15.696 -20.544 1.00 71.44 C ATOM 1116 O ARG A 72 -14.070 -16.063 -20.462 1.00 44.23 O ATOM 1117 CB ARG A 72 -12.165 -17.556 -19.039 1.00 54.33 C ATOM 1118 CG ARG A 72 -12.766 -16.805 -17.862 1.00 5.11 C ATOM 1119 CD ARG A 72 -12.827 -17.677 -16.618 1.00 31.41 C ATOM 1120 NE ARG A 72 -14.096 -18.393 -16.513 1.00 51.43 N ATOM 1121 CZ ARG A 72 -14.296 -19.418 -15.693 1.00 13.02 C ATOM 1122 NH1 ARG A 72 -13.316 -19.846 -14.909 1.00 41.43 N ATOM 1123 NH2 ARG A 72 -15.479 -20.017 -15.655 1.00 34.55 N ATOM 0 H ARG A 72 -10.674 -15.199 -19.138 1.00 11.04 H new ATOM 0 HA ARG A 72 -11.541 -17.263 -21.074 1.00 41.12 H new ATOM 0 HB2 ARG A 72 -12.888 -18.288 -19.399 1.00 54.33 H new ATOM 0 HB3 ARG A 72 -11.292 -18.111 -18.697 1.00 54.33 H new ATOM 0 HG2 ARG A 72 -12.172 -15.915 -17.655 1.00 5.11 H new ATOM 0 HG3 ARG A 72 -13.769 -16.466 -18.119 1.00 5.11 H new ATOM 0 HD2 ARG A 72 -12.007 -18.394 -16.638 1.00 31.41 H new ATOM 0 HD3 ARG A 72 -12.687 -17.056 -15.733 1.00 31.41 H new ATOM 0 HE ARG A 72 -14.871 -18.089 -17.102 1.00 51.43 H new ATOM 0 HH11 ARG A 72 -12.405 -19.388 -14.935 1.00 41.43 H new ATOM 0 HH12 ARG A 72 -13.473 -20.634 -14.280 1.00 41.43 H new ATOM 0 HH21 ARG A 72 -16.236 -19.690 -16.256 1.00 34.55 H new ATOM 0 HH22 ARG A 72 -15.632 -20.804 -15.025 1.00 34.55 H new ATOM 1137 N ASP A 73 -12.546 -14.474 -20.929 1.00 33.21 N ATOM 1138 CA ASP A 73 -13.542 -13.470 -21.286 1.00 44.11 C ATOM 1139 C ASP A 73 -13.777 -13.450 -22.793 1.00 71.22 C ATOM 1140 O ASP A 73 -14.031 -12.397 -23.377 1.00 63.21 O ATOM 1141 CB ASP A 73 -13.096 -12.087 -20.809 1.00 3.11 C ATOM 1142 CG ASP A 73 -14.216 -11.067 -20.861 1.00 74.33 C ATOM 1143 OD1 ASP A 73 -15.370 -11.437 -20.556 1.00 2.44 O ATOM 1144 OD2 ASP A 73 -13.940 -9.900 -21.207 1.00 51.21 O ATOM 0 H ASP A 73 -11.580 -14.155 -21.002 1.00 33.21 H new ATOM 0 HA ASP A 73 -14.479 -13.731 -20.794 1.00 44.11 H new ATOM 0 HB2 ASP A 73 -12.723 -12.161 -19.787 1.00 3.11 H new ATOM 0 HB3 ASP A 73 -12.266 -11.743 -21.427 1.00 3.11 H new ATOM 1149 N GLU A 74 -13.690 -14.621 -23.416 1.00 72.51 N ATOM 1150 CA GLU A 74 -13.892 -14.737 -24.856 1.00 30.14 C ATOM 1151 C GLU A 74 -12.882 -13.884 -25.617 1.00 4.10 C ATOM 1152 O GLU A 74 -13.231 -13.194 -26.574 1.00 32.12 O ATOM 1153 CB GLU A 74 -15.315 -14.317 -25.229 1.00 11.32 C ATOM 1154 CG GLU A 74 -16.388 -14.980 -24.382 1.00 22.33 C ATOM 1155 CD GLU A 74 -17.763 -14.900 -25.015 1.00 35.34 C ATOM 1156 OE1 GLU A 74 -17.990 -15.593 -26.029 1.00 14.02 O ATOM 1157 OE2 GLU A 74 -18.613 -14.145 -24.496 1.00 65.45 O ATOM 0 H GLU A 74 -13.481 -15.502 -22.947 1.00 72.51 H new ATOM 0 HA GLU A 74 -13.744 -15.780 -25.135 1.00 30.14 H new ATOM 0 HB2 GLU A 74 -15.403 -13.235 -25.130 1.00 11.32 H new ATOM 0 HB3 GLU A 74 -15.492 -14.557 -26.277 1.00 11.32 H new ATOM 0 HG2 GLU A 74 -16.126 -16.026 -24.223 1.00 22.33 H new ATOM 0 HG3 GLU A 74 -16.416 -14.506 -23.401 1.00 22.33 H new ATOM 1164 N GLY A 75 -11.626 -13.936 -25.184 1.00 24.34 N ATOM 1165 CA GLY A 75 -10.584 -13.164 -25.834 1.00 44.23 C ATOM 1166 C GLY A 75 -9.298 -13.949 -26.000 1.00 63.13 C ATOM 1167 O GLY A 75 -8.611 -13.821 -27.013 1.00 40.04 O ATOM 0 H GLY A 75 -11.312 -14.500 -24.394 1.00 24.34 H new ATOM 0 HA2 GLY A 75 -10.935 -12.837 -26.813 1.00 44.23 H new ATOM 0 HA3 GLY A 75 -10.385 -12.265 -25.250 1.00 44.23 H new ATOM 1171 N MET A 76 -8.970 -14.763 -25.002 1.00 52.00 N ATOM 1172 CA MET A 76 -7.757 -15.572 -25.042 1.00 52.54 C ATOM 1173 C MET A 76 -7.674 -16.362 -26.344 1.00 42.14 C ATOM 1174 O MET A 76 -6.584 -16.655 -26.835 1.00 4.54 O ATOM 1175 CB MET A 76 -7.716 -16.527 -23.848 1.00 62.25 C ATOM 1176 CG MET A 76 -6.436 -17.344 -23.768 1.00 13.12 C ATOM 1177 SD MET A 76 -4.970 -16.318 -23.550 1.00 42.44 S ATOM 1178 CE MET A 76 -3.749 -17.557 -23.127 1.00 24.43 C ATOM 0 H MET A 76 -9.527 -14.880 -24.156 1.00 52.00 H new ATOM 0 HA MET A 76 -6.900 -14.901 -24.990 1.00 52.54 H new ATOM 0 HB2 MET A 76 -7.829 -15.952 -22.929 1.00 62.25 H new ATOM 0 HB3 MET A 76 -8.567 -17.205 -23.906 1.00 62.25 H new ATOM 0 HG2 MET A 76 -6.509 -18.047 -22.938 1.00 13.12 H new ATOM 0 HG3 MET A 76 -6.329 -17.935 -24.678 1.00 13.12 H new ATOM 0 HE1 MET A 76 -2.785 -17.076 -22.961 1.00 24.43 H new ATOM 0 HE2 MET A 76 -4.057 -18.076 -22.219 1.00 24.43 H new ATOM 0 HE3 MET A 76 -3.661 -18.275 -23.943 1.00 24.43 H new ATOM 1188 N MET A 77 -8.832 -16.704 -26.899 1.00 30.42 N ATOM 1189 CA MET A 77 -8.889 -17.460 -28.145 1.00 24.34 C ATOM 1190 C MET A 77 -8.268 -16.667 -29.290 1.00 73.14 C ATOM 1191 O MET A 77 -7.560 -17.223 -30.129 1.00 5.22 O ATOM 1192 CB MET A 77 -10.337 -17.820 -28.483 1.00 3.42 C ATOM 1193 CG MET A 77 -11.247 -16.610 -28.620 1.00 42.21 C ATOM 1194 SD MET A 77 -12.975 -17.064 -28.862 1.00 63.52 S ATOM 1195 CE MET A 77 -13.742 -15.448 -28.941 1.00 33.01 C ATOM 0 H MET A 77 -9.744 -16.470 -26.506 1.00 30.42 H new ATOM 0 HA MET A 77 -8.317 -18.378 -28.011 1.00 24.34 H new ATOM 0 HB2 MET A 77 -10.354 -18.385 -29.415 1.00 3.42 H new ATOM 0 HB3 MET A 77 -10.731 -18.475 -27.706 1.00 3.42 H new ATOM 0 HG2 MET A 77 -11.160 -15.992 -27.727 1.00 42.21 H new ATOM 0 HG3 MET A 77 -10.914 -16.003 -29.462 1.00 42.21 H new ATOM 0 HE1 MET A 77 -14.583 -15.410 -28.249 1.00 33.01 H new ATOM 0 HE2 MET A 77 -13.013 -14.685 -28.668 1.00 33.01 H new ATOM 0 HE3 MET A 77 -14.098 -15.263 -29.955 1.00 33.01 H new ATOM 1205 N GLU A 78 -8.541 -15.366 -29.319 1.00 64.23 N ATOM 1206 CA GLU A 78 -8.009 -14.498 -30.364 1.00 33.33 C ATOM 1207 C GLU A 78 -6.664 -13.909 -29.949 1.00 61.34 C ATOM 1208 O GLU A 78 -5.876 -13.483 -30.793 1.00 11.52 O ATOM 1209 CB GLU A 78 -8.998 -13.372 -30.674 1.00 23.14 C ATOM 1210 CG GLU A 78 -9.552 -13.421 -32.087 1.00 51.15 C ATOM 1211 CD GLU A 78 -10.967 -12.884 -32.178 1.00 53.10 C ATOM 1212 OE1 GLU A 78 -11.808 -13.286 -31.346 1.00 41.32 O ATOM 1213 OE2 GLU A 78 -11.234 -12.063 -33.080 1.00 14.20 O ATOM 0 H GLU A 78 -9.126 -14.890 -28.632 1.00 64.23 H new ATOM 0 HA GLU A 78 -7.861 -15.099 -31.261 1.00 33.33 H new ATOM 0 HB2 GLU A 78 -9.826 -13.422 -29.966 1.00 23.14 H new ATOM 0 HB3 GLU A 78 -8.504 -12.413 -30.520 1.00 23.14 H new ATOM 0 HG2 GLU A 78 -8.905 -12.843 -32.747 1.00 51.15 H new ATOM 0 HG3 GLU A 78 -9.534 -14.451 -32.445 1.00 51.15 H new ATOM 1220 N GLU A 79 -6.410 -13.890 -28.645 1.00 4.33 N ATOM 1221 CA GLU A 79 -5.160 -13.352 -28.119 1.00 15.24 C ATOM 1222 C GLU A 79 -4.211 -14.476 -27.715 1.00 33.35 C ATOM 1223 O GLU A 79 -3.285 -14.270 -26.931 1.00 74.41 O ATOM 1224 CB GLU A 79 -5.436 -12.445 -26.917 1.00 23.41 C ATOM 1225 CG GLU A 79 -6.409 -11.318 -27.216 1.00 12.35 C ATOM 1226 CD GLU A 79 -6.151 -10.665 -28.560 1.00 12.24 C ATOM 1227 OE1 GLU A 79 -6.997 -10.819 -29.465 1.00 53.53 O ATOM 1228 OE2 GLU A 79 -5.104 -10.001 -28.706 1.00 1.20 O ATOM 0 H GLU A 79 -7.052 -14.240 -27.934 1.00 4.33 H new ATOM 0 HA GLU A 79 -4.686 -12.766 -28.906 1.00 15.24 H new ATOM 0 HB2 GLU A 79 -5.832 -13.049 -26.100 1.00 23.41 H new ATOM 0 HB3 GLU A 79 -4.495 -12.019 -26.571 1.00 23.41 H new ATOM 0 HG2 GLU A 79 -7.427 -11.707 -27.195 1.00 12.35 H new ATOM 0 HG3 GLU A 79 -6.339 -10.565 -26.431 1.00 12.35 H new ATOM 1235 N GLY A 80 -4.450 -15.667 -28.255 1.00 63.35 N ATOM 1236 CA GLY A 80 -3.609 -16.807 -27.940 1.00 30.35 C ATOM 1237 C GLY A 80 -3.718 -17.912 -28.972 1.00 10.11 C ATOM 1238 O GLY A 80 -2.725 -18.557 -29.310 1.00 51.51 O ATOM 0 H GLY A 80 -5.211 -15.863 -28.905 1.00 63.35 H new ATOM 0 HA2 GLY A 80 -2.571 -16.481 -27.870 1.00 30.35 H new ATOM 0 HA3 GLY A 80 -3.886 -17.199 -26.962 1.00 30.35 H new ATOM 1242 N LYS A 81 -4.928 -18.133 -29.474 1.00 32.23 N ATOM 1243 CA LYS A 81 -5.165 -19.168 -30.473 1.00 51.24 C ATOM 1244 C LYS A 81 -5.277 -18.561 -31.868 1.00 52.04 C ATOM 1245 O LYS A 81 -5.832 -19.175 -32.781 1.00 14.33 O ATOM 1246 CB LYS A 81 -6.440 -19.946 -30.140 1.00 52.41 C ATOM 1247 CG LYS A 81 -6.312 -21.444 -30.354 1.00 0.13 C ATOM 1248 CD LYS A 81 -5.749 -22.136 -29.124 1.00 22.40 C ATOM 1249 CE LYS A 81 -6.839 -22.445 -28.110 1.00 33.33 C ATOM 1250 NZ LYS A 81 -6.386 -22.194 -26.714 1.00 23.22 N ATOM 0 H LYS A 81 -5.760 -17.609 -29.205 1.00 32.23 H new ATOM 0 HA LYS A 81 -4.316 -19.852 -30.460 1.00 51.24 H new ATOM 0 HB2 LYS A 81 -6.709 -19.758 -29.101 1.00 52.41 H new ATOM 0 HB3 LYS A 81 -7.257 -19.568 -30.755 1.00 52.41 H new ATOM 0 HG2 LYS A 81 -7.289 -21.863 -30.593 1.00 0.13 H new ATOM 0 HG3 LYS A 81 -5.664 -21.636 -31.209 1.00 0.13 H new ATOM 0 HD2 LYS A 81 -5.254 -23.061 -29.420 1.00 22.40 H new ATOM 0 HD3 LYS A 81 -4.991 -21.502 -28.663 1.00 22.40 H new ATOM 0 HE2 LYS A 81 -7.716 -21.834 -28.322 1.00 33.33 H new ATOM 0 HE3 LYS A 81 -7.144 -23.487 -28.211 1.00 33.33 H new ATOM 0 HZ1 LYS A 81 -7.158 -22.417 -26.053 1.00 23.22 H new ATOM 0 HZ2 LYS A 81 -5.564 -22.796 -26.502 1.00 23.22 H new ATOM 0 HZ3 LYS A 81 -6.119 -21.194 -26.610 1.00 23.22 H new ATOM 1264 N LEU A 82 -4.746 -17.354 -32.028 1.00 2.12 N ATOM 1265 CA LEU A 82 -4.785 -16.664 -33.313 1.00 22.52 C ATOM 1266 C LEU A 82 -3.404 -16.137 -33.690 1.00 31.20 C ATOM 1267 O LEU A 82 -2.851 -16.503 -34.727 1.00 62.21 O ATOM 1268 CB LEU A 82 -5.788 -15.511 -33.265 1.00 12.13 C ATOM 1269 CG LEU A 82 -6.256 -14.972 -34.617 1.00 14.32 C ATOM 1270 CD1 LEU A 82 -7.019 -16.041 -35.383 1.00 20.40 C ATOM 1271 CD2 LEU A 82 -7.118 -13.732 -34.427 1.00 74.12 C ATOM 0 H LEU A 82 -4.283 -16.832 -31.284 1.00 2.12 H new ATOM 0 HA LEU A 82 -5.100 -17.380 -34.072 1.00 22.52 H new ATOM 0 HB2 LEU A 82 -6.663 -15.840 -32.705 1.00 12.13 H new ATOM 0 HB3 LEU A 82 -5.341 -14.690 -32.704 1.00 12.13 H new ATOM 0 HG LEU A 82 -5.378 -14.694 -35.200 1.00 14.32 H new ATOM 0 HD11 LEU A 82 -7.344 -15.639 -36.343 1.00 20.40 H new ATOM 0 HD12 LEU A 82 -6.371 -16.901 -35.551 1.00 20.40 H new ATOM 0 HD13 LEU A 82 -7.890 -16.351 -34.805 1.00 20.40 H new ATOM 0 HD21 LEU A 82 -7.442 -13.362 -35.400 1.00 74.12 H new ATOM 0 HD22 LEU A 82 -7.991 -13.985 -33.825 1.00 74.12 H new ATOM 0 HD23 LEU A 82 -6.539 -12.960 -33.920 1.00 74.12 H new ATOM 1283 N ASP A 83 -2.853 -15.278 -32.840 1.00 44.34 N ATOM 1284 CA ASP A 83 -1.535 -14.702 -33.083 1.00 24.34 C ATOM 1285 C ASP A 83 -0.552 -15.118 -31.993 1.00 25.32 C ATOM 1286 O ASP A 83 -0.809 -14.927 -30.805 1.00 34.42 O ATOM 1287 CB ASP A 83 -1.625 -13.177 -33.150 1.00 10.01 C ATOM 1288 CG ASP A 83 -2.914 -12.701 -33.791 1.00 30.23 C ATOM 1289 OD1 ASP A 83 -3.132 -13.004 -34.983 1.00 24.23 O ATOM 1290 OD2 ASP A 83 -3.706 -12.027 -33.100 1.00 3.41 O ATOM 0 H ASP A 83 -3.298 -14.965 -31.977 1.00 44.34 H new ATOM 0 HA ASP A 83 -1.172 -15.079 -34.039 1.00 24.34 H new ATOM 0 HB2 ASP A 83 -1.550 -12.767 -32.143 1.00 10.01 H new ATOM 0 HB3 ASP A 83 -0.777 -12.790 -33.715 1.00 10.01 H new ATOM 1295 N ALA A 84 0.575 -15.689 -32.406 1.00 5.30 N ATOM 1296 CA ALA A 84 1.597 -16.131 -31.465 1.00 44.14 C ATOM 1297 C ALA A 84 2.078 -14.975 -30.594 1.00 64.51 C ATOM 1298 O ALA A 84 2.493 -15.177 -29.453 1.00 21.02 O ATOM 1299 CB ALA A 84 2.768 -16.754 -32.212 1.00 35.32 C ATOM 0 H ALA A 84 0.803 -15.856 -33.386 1.00 5.30 H new ATOM 0 HA ALA A 84 1.154 -16.884 -30.813 1.00 44.14 H new ATOM 0 HB1 ALA A 84 3.524 -17.080 -31.497 1.00 35.32 H new ATOM 0 HB2 ALA A 84 2.418 -17.612 -32.786 1.00 35.32 H new ATOM 0 HB3 ALA A 84 3.202 -16.017 -32.888 1.00 35.32 H new ATOM 1305 N SER A 85 2.021 -13.765 -31.140 1.00 11.10 N ATOM 1306 CA SER A 85 2.455 -12.577 -30.414 1.00 21.44 C ATOM 1307 C SER A 85 1.573 -12.334 -29.193 1.00 73.20 C ATOM 1308 O SER A 85 2.062 -11.978 -28.121 1.00 2.44 O ATOM 1309 CB SER A 85 2.425 -11.353 -31.331 1.00 22.33 C ATOM 1310 OG SER A 85 3.647 -10.638 -31.267 1.00 30.21 O ATOM 0 H SER A 85 1.678 -13.581 -32.083 1.00 11.10 H new ATOM 0 HA SER A 85 3.478 -12.742 -30.075 1.00 21.44 H new ATOM 0 HB2 SER A 85 2.238 -11.668 -32.357 1.00 22.33 H new ATOM 0 HB3 SER A 85 1.602 -10.699 -31.043 1.00 22.33 H new ATOM 0 HG SER A 85 3.603 -9.861 -31.863 1.00 30.21 H new ATOM 1316 N CYS A 86 0.270 -12.530 -29.365 1.00 0.54 N ATOM 1317 CA CYS A 86 -0.683 -12.331 -28.278 1.00 5.11 C ATOM 1318 C CYS A 86 -0.477 -13.368 -27.178 1.00 41.33 C ATOM 1319 O CYS A 86 -0.445 -13.033 -25.994 1.00 61.45 O ATOM 1320 CB CYS A 86 -2.115 -12.409 -28.807 1.00 52.53 C ATOM 1321 SG CYS A 86 -2.508 -11.165 -30.060 1.00 1.24 S ATOM 0 H CYS A 86 -0.150 -12.826 -30.246 1.00 0.54 H new ATOM 0 HA CYS A 86 -0.513 -11.341 -27.855 1.00 5.11 H new ATOM 0 HB2 CYS A 86 -2.281 -13.400 -29.229 1.00 52.53 H new ATOM 0 HB3 CYS A 86 -2.806 -12.299 -27.971 1.00 52.53 H new ATOM 0 HG CYS A 86 -3.586 -10.526 -29.714 1.00 1.24 H new ATOM 1327 N ALA A 87 -0.340 -14.628 -27.578 1.00 44.44 N ATOM 1328 CA ALA A 87 -0.137 -15.713 -26.627 1.00 62.33 C ATOM 1329 C ALA A 87 1.147 -15.512 -25.830 1.00 0.25 C ATOM 1330 O ALA A 87 1.184 -15.752 -24.623 1.00 1.24 O ATOM 1331 CB ALA A 87 -0.106 -17.051 -27.352 1.00 3.11 C ATOM 0 H ALA A 87 -0.366 -14.922 -28.554 1.00 44.44 H new ATOM 0 HA ALA A 87 -0.972 -15.710 -25.927 1.00 62.33 H new ATOM 0 HB1 ALA A 87 0.046 -17.853 -26.630 1.00 3.11 H new ATOM 0 HB2 ALA A 87 -1.052 -17.205 -27.871 1.00 3.11 H new ATOM 0 HB3 ALA A 87 0.710 -17.054 -28.075 1.00 3.11 H new ATOM 1337 N VAL A 88 2.199 -15.070 -26.512 1.00 0.04 N ATOM 1338 CA VAL A 88 3.485 -14.836 -25.866 1.00 42.22 C ATOM 1339 C VAL A 88 3.404 -13.673 -24.884 1.00 54.41 C ATOM 1340 O VAL A 88 3.914 -13.753 -23.767 1.00 51.13 O ATOM 1341 CB VAL A 88 4.588 -14.543 -26.901 1.00 54.03 C ATOM 1342 CG1 VAL A 88 5.881 -14.145 -26.206 1.00 54.54 C ATOM 1343 CG2 VAL A 88 4.806 -15.749 -27.802 1.00 24.54 C ATOM 0 H VAL A 88 2.186 -14.867 -27.511 1.00 0.04 H new ATOM 0 HA VAL A 88 3.737 -15.748 -25.325 1.00 42.22 H new ATOM 0 HB VAL A 88 4.266 -13.707 -27.522 1.00 54.03 H new ATOM 0 HG11 VAL A 88 6.648 -13.942 -26.953 1.00 54.54 H new ATOM 0 HG12 VAL A 88 5.712 -13.250 -25.607 1.00 54.54 H new ATOM 0 HG13 VAL A 88 6.211 -14.957 -25.559 1.00 54.54 H new ATOM 0 HG21 VAL A 88 5.588 -15.525 -28.527 1.00 24.54 H new ATOM 0 HG22 VAL A 88 5.106 -16.605 -27.198 1.00 24.54 H new ATOM 0 HG23 VAL A 88 3.880 -15.982 -28.328 1.00 24.54 H new ATOM 1353 N ALA A 89 2.758 -12.591 -25.308 1.00 75.44 N ATOM 1354 CA ALA A 89 2.606 -11.412 -24.465 1.00 44.15 C ATOM 1355 C ALA A 89 1.863 -11.749 -23.178 1.00 33.14 C ATOM 1356 O ALA A 89 2.265 -11.334 -22.091 1.00 3.24 O ATOM 1357 CB ALA A 89 1.880 -10.311 -25.224 1.00 1.21 C ATOM 0 H ALA A 89 2.332 -12.507 -26.231 1.00 75.44 H new ATOM 0 HA ALA A 89 3.601 -11.057 -24.196 1.00 44.15 H new ATOM 0 HB1 ALA A 89 1.773 -9.436 -24.582 1.00 1.21 H new ATOM 0 HB2 ALA A 89 2.453 -10.042 -26.112 1.00 1.21 H new ATOM 0 HB3 ALA A 89 0.893 -10.665 -25.522 1.00 1.21 H new ATOM 1363 N ILE A 90 0.776 -12.503 -23.307 1.00 63.04 N ATOM 1364 CA ILE A 90 -0.023 -12.896 -22.153 1.00 43.43 C ATOM 1365 C ILE A 90 0.765 -13.816 -21.227 1.00 12.23 C ATOM 1366 O ILE A 90 0.798 -13.610 -20.014 1.00 32.30 O ATOM 1367 CB ILE A 90 -1.320 -13.606 -22.582 1.00 52.12 C ATOM 1368 CG1 ILE A 90 -2.180 -12.672 -23.436 1.00 71.15 C ATOM 1369 CG2 ILE A 90 -2.094 -14.078 -21.361 1.00 14.14 C ATOM 1370 CD1 ILE A 90 -3.295 -13.382 -24.173 1.00 5.11 C ATOM 0 H ILE A 90 0.429 -12.854 -24.200 1.00 63.04 H new ATOM 0 HA ILE A 90 -0.279 -11.981 -21.620 1.00 43.43 H new ATOM 0 HB ILE A 90 -1.058 -14.478 -23.182 1.00 52.12 H new ATOM 0 HG12 ILE A 90 -2.611 -11.902 -22.796 1.00 71.15 H new ATOM 0 HG13 ILE A 90 -1.542 -12.165 -24.160 1.00 71.15 H new ATOM 0 HG21 ILE A 90 -3.008 -14.578 -21.681 1.00 14.14 H new ATOM 0 HG22 ILE A 90 -1.481 -14.774 -20.788 1.00 14.14 H new ATOM 0 HG23 ILE A 90 -2.348 -13.221 -20.738 1.00 14.14 H new ATOM 0 HD11 ILE A 90 -3.863 -12.658 -24.758 1.00 5.11 H new ATOM 0 HD12 ILE A 90 -2.870 -14.133 -24.839 1.00 5.11 H new ATOM 0 HD13 ILE A 90 -3.956 -13.866 -23.454 1.00 5.11 H new ATOM 1382 N GLU A 91 1.399 -14.830 -21.807 1.00 40.55 N ATOM 1383 CA GLU A 91 2.188 -15.781 -21.033 1.00 14.40 C ATOM 1384 C GLU A 91 3.278 -15.065 -20.240 1.00 73.31 C ATOM 1385 O GLU A 91 3.588 -15.444 -19.111 1.00 73.22 O ATOM 1386 CB GLU A 91 2.816 -16.827 -21.956 1.00 2.21 C ATOM 1387 CG GLU A 91 2.922 -18.207 -21.329 1.00 12.22 C ATOM 1388 CD GLU A 91 2.730 -19.322 -22.338 1.00 35.33 C ATOM 1389 OE1 GLU A 91 1.843 -19.188 -23.207 1.00 62.45 O ATOM 1390 OE2 GLU A 91 3.464 -20.329 -22.258 1.00 4.42 O ATOM 0 H GLU A 91 1.382 -15.014 -22.810 1.00 40.55 H new ATOM 0 HA GLU A 91 1.521 -16.281 -20.331 1.00 14.40 H new ATOM 0 HB2 GLU A 91 2.224 -16.896 -22.869 1.00 2.21 H new ATOM 0 HB3 GLU A 91 3.812 -16.492 -22.247 1.00 2.21 H new ATOM 0 HG2 GLU A 91 3.899 -18.313 -20.857 1.00 12.22 H new ATOM 0 HG3 GLU A 91 2.175 -18.302 -20.541 1.00 12.22 H new ATOM 1397 N GLU A 92 3.855 -14.029 -20.841 1.00 22.42 N ATOM 1398 CA GLU A 92 4.911 -13.262 -20.191 1.00 65.22 C ATOM 1399 C GLU A 92 4.348 -12.414 -19.055 1.00 33.13 C ATOM 1400 O GLU A 92 4.928 -12.344 -17.972 1.00 10.02 O ATOM 1401 CB GLU A 92 5.620 -12.365 -21.208 1.00 60.24 C ATOM 1402 CG GLU A 92 6.963 -11.842 -20.727 1.00 61.34 C ATOM 1403 CD GLU A 92 8.121 -12.715 -21.169 1.00 64.44 C ATOM 1404 OE1 GLU A 92 8.651 -12.482 -22.276 1.00 50.21 O ATOM 1405 OE2 GLU A 92 8.498 -13.632 -20.410 1.00 0.15 O ATOM 0 H GLU A 92 3.609 -13.702 -21.775 1.00 22.42 H new ATOM 0 HA GLU A 92 5.631 -13.966 -19.773 1.00 65.22 H new ATOM 0 HB2 GLU A 92 5.767 -12.924 -22.132 1.00 60.24 H new ATOM 0 HB3 GLU A 92 4.975 -11.520 -21.446 1.00 60.24 H new ATOM 0 HG2 GLU A 92 7.111 -10.830 -21.104 1.00 61.34 H new ATOM 0 HG3 GLU A 92 6.955 -11.778 -19.639 1.00 61.34 H new ATOM 1412 N ALA A 93 3.213 -11.771 -19.311 1.00 21.23 N ATOM 1413 CA ALA A 93 2.570 -10.929 -18.310 1.00 33.21 C ATOM 1414 C ALA A 93 2.233 -11.727 -17.055 1.00 22.51 C ATOM 1415 O ALA A 93 2.447 -11.261 -15.936 1.00 23.25 O ATOM 1416 CB ALA A 93 1.313 -10.292 -18.885 1.00 4.00 C ATOM 0 H ALA A 93 2.720 -11.817 -20.203 1.00 21.23 H new ATOM 0 HA ALA A 93 3.269 -10.141 -18.031 1.00 33.21 H new ATOM 0 HB1 ALA A 93 0.843 -9.666 -18.127 1.00 4.00 H new ATOM 0 HB2 ALA A 93 1.577 -9.681 -19.748 1.00 4.00 H new ATOM 0 HB3 ALA A 93 0.618 -11.073 -19.193 1.00 4.00 H new ATOM 1422 N ILE A 94 1.705 -12.931 -17.249 1.00 24.30 N ATOM 1423 CA ILE A 94 1.340 -13.794 -16.132 1.00 50.31 C ATOM 1424 C ILE A 94 2.577 -14.398 -15.476 1.00 41.15 C ATOM 1425 O ILE A 94 2.615 -14.591 -14.262 1.00 4.33 O ATOM 1426 CB ILE A 94 0.404 -14.931 -16.582 1.00 31.02 C ATOM 1427 CG1 ILE A 94 1.094 -15.804 -17.632 1.00 41.32 C ATOM 1428 CG2 ILE A 94 -0.896 -14.362 -17.130 1.00 12.44 C ATOM 1429 CD1 ILE A 94 0.213 -16.908 -18.173 1.00 64.24 C ATOM 0 H ILE A 94 1.520 -13.331 -18.169 1.00 24.30 H new ATOM 0 HA ILE A 94 0.817 -13.169 -15.408 1.00 50.31 H new ATOM 0 HB ILE A 94 0.170 -15.552 -15.717 1.00 31.02 H new ATOM 0 HG12 ILE A 94 1.422 -15.174 -18.459 1.00 41.32 H new ATOM 0 HG13 ILE A 94 1.989 -16.246 -17.194 1.00 41.32 H new ATOM 0 HG21 ILE A 94 -1.547 -15.178 -17.444 1.00 12.44 H new ATOM 0 HG22 ILE A 94 -1.393 -13.779 -16.355 1.00 12.44 H new ATOM 0 HG23 ILE A 94 -0.681 -13.721 -17.985 1.00 12.44 H new ATOM 0 HD11 ILE A 94 0.767 -17.486 -18.912 1.00 64.24 H new ATOM 0 HD12 ILE A 94 -0.094 -17.562 -17.357 1.00 64.24 H new ATOM 0 HD13 ILE A 94 -0.670 -16.473 -18.641 1.00 64.24 H new ATOM 1441 N GLN A 95 3.587 -14.693 -16.289 1.00 54.52 N ATOM 1442 CA GLN A 95 4.826 -15.274 -15.787 1.00 41.33 C ATOM 1443 C GLN A 95 5.565 -14.288 -14.888 1.00 15.02 C ATOM 1444 O GLN A 95 6.263 -14.686 -13.955 1.00 10.05 O ATOM 1445 CB GLN A 95 5.726 -15.693 -16.951 1.00 53.34 C ATOM 1446 CG GLN A 95 6.981 -16.432 -16.515 1.00 54.52 C ATOM 1447 CD GLN A 95 7.828 -16.885 -17.687 1.00 42.15 C ATOM 1448 OE1 GLN A 95 7.307 -17.340 -18.706 1.00 30.31 O ATOM 1449 NE2 GLN A 95 9.143 -16.762 -17.550 1.00 22.20 N ATOM 0 H GLN A 95 3.571 -14.539 -17.297 1.00 54.52 H new ATOM 0 HA GLN A 95 4.572 -16.155 -15.198 1.00 41.33 H new ATOM 0 HB2 GLN A 95 5.157 -16.329 -17.629 1.00 53.34 H new ATOM 0 HB3 GLN A 95 6.014 -14.805 -17.514 1.00 53.34 H new ATOM 0 HG2 GLN A 95 7.575 -15.783 -15.872 1.00 54.52 H new ATOM 0 HG3 GLN A 95 6.698 -17.300 -15.919 1.00 54.52 H new ATOM 0 HE21 GLN A 95 9.532 -16.380 -16.688 1.00 22.20 H new ATOM 0 HE22 GLN A 95 9.764 -17.050 -18.307 1.00 22.20 H new ATOM 1458 N LEU A 96 5.406 -13.001 -15.174 1.00 43.44 N ATOM 1459 CA LEU A 96 6.058 -11.957 -14.391 1.00 44.33 C ATOM 1460 C LEU A 96 5.228 -11.598 -13.163 1.00 53.24 C ATOM 1461 O LEU A 96 5.759 -11.455 -12.062 1.00 30.32 O ATOM 1462 CB LEU A 96 6.283 -10.712 -15.251 1.00 54.41 C ATOM 1463 CG LEU A 96 7.300 -10.853 -16.384 1.00 51.50 C ATOM 1464 CD1 LEU A 96 7.329 -9.592 -17.235 1.00 24.32 C ATOM 1465 CD2 LEU A 96 8.683 -11.153 -15.825 1.00 32.22 C ATOM 0 H LEU A 96 4.831 -12.655 -15.942 1.00 43.44 H new ATOM 0 HA LEU A 96 7.022 -12.338 -14.055 1.00 44.33 H new ATOM 0 HB2 LEU A 96 5.327 -10.416 -15.683 1.00 54.41 H new ATOM 0 HB3 LEU A 96 6.605 -9.899 -14.600 1.00 54.41 H new ATOM 0 HG LEU A 96 6.997 -11.687 -17.017 1.00 51.50 H new ATOM 0 HD11 LEU A 96 8.058 -9.711 -18.036 1.00 24.32 H new ATOM 0 HD12 LEU A 96 6.342 -9.420 -17.665 1.00 24.32 H new ATOM 0 HD13 LEU A 96 7.607 -8.740 -16.614 1.00 24.32 H new ATOM 0 HD21 LEU A 96 9.394 -11.250 -16.646 1.00 32.22 H new ATOM 0 HD22 LEU A 96 8.995 -10.340 -15.169 1.00 32.22 H new ATOM 0 HD23 LEU A 96 8.653 -12.084 -15.259 1.00 32.22 H new ATOM 1477 N TYR A 97 3.922 -11.455 -13.360 1.00 72.23 N ATOM 1478 CA TYR A 97 3.017 -11.113 -12.269 1.00 42.01 C ATOM 1479 C TYR A 97 3.071 -12.166 -11.166 1.00 42.32 C ATOM 1480 O TYR A 97 3.106 -11.837 -9.981 1.00 42.41 O ATOM 1481 CB TYR A 97 1.585 -10.976 -12.790 1.00 24.54 C ATOM 1482 CG TYR A 97 0.568 -10.715 -11.702 1.00 21.01 C ATOM 1483 CD1 TYR A 97 0.794 -9.748 -10.730 1.00 43.33 C ATOM 1484 CD2 TYR A 97 -0.618 -11.436 -11.645 1.00 54.40 C ATOM 1485 CE1 TYR A 97 -0.132 -9.506 -9.734 1.00 41.32 C ATOM 1486 CE2 TYR A 97 -1.551 -11.199 -10.654 1.00 23.35 C ATOM 1487 CZ TYR A 97 -1.303 -10.234 -9.700 1.00 41.44 C ATOM 1488 OH TYR A 97 -2.229 -9.996 -8.710 1.00 64.32 O ATOM 0 H TYR A 97 3.466 -11.571 -14.265 1.00 72.23 H new ATOM 0 HA TYR A 97 3.337 -10.159 -11.851 1.00 42.01 H new ATOM 0 HB2 TYR A 97 1.547 -10.162 -13.514 1.00 24.54 H new ATOM 0 HB3 TYR A 97 1.311 -11.888 -13.321 1.00 24.54 H new ATOM 0 HD1 TYR A 97 1.710 -9.176 -10.754 1.00 43.33 H new ATOM 0 HD2 TYR A 97 -0.814 -12.195 -12.388 1.00 54.40 H new ATOM 0 HE1 TYR A 97 0.060 -8.751 -8.986 1.00 41.32 H new ATOM 0 HE2 TYR A 97 -2.470 -11.766 -10.626 1.00 23.35 H new ATOM 0 HH TYR A 97 -2.997 -10.592 -8.830 1.00 64.32 H new ATOM 1498 N GLU A 98 3.078 -13.433 -11.567 1.00 24.32 N ATOM 1499 CA GLU A 98 3.128 -14.535 -10.613 1.00 10.13 C ATOM 1500 C GLU A 98 4.535 -14.699 -10.044 1.00 75.31 C ATOM 1501 O GLU A 98 4.723 -15.321 -8.999 1.00 43.31 O ATOM 1502 CB GLU A 98 2.680 -15.837 -11.280 1.00 23.12 C ATOM 1503 CG GLU A 98 1.189 -16.103 -11.156 1.00 64.02 C ATOM 1504 CD GLU A 98 0.778 -17.421 -11.784 1.00 11.25 C ATOM 1505 OE1 GLU A 98 1.623 -18.046 -12.457 1.00 65.02 O ATOM 1506 OE2 GLU A 98 -0.389 -17.827 -11.601 1.00 42.42 O ATOM 0 H GLU A 98 3.050 -13.722 -12.545 1.00 24.32 H new ATOM 0 HA GLU A 98 2.448 -14.303 -9.793 1.00 10.13 H new ATOM 0 HB2 GLU A 98 2.948 -15.805 -12.336 1.00 23.12 H new ATOM 0 HB3 GLU A 98 3.227 -16.669 -10.837 1.00 23.12 H new ATOM 0 HG2 GLU A 98 0.910 -16.104 -10.102 1.00 64.02 H new ATOM 0 HG3 GLU A 98 0.638 -15.291 -11.631 1.00 64.02 H new ATOM 1513 N GLU A 99 5.518 -14.138 -10.741 1.00 54.20 N ATOM 1514 CA GLU A 99 6.907 -14.224 -10.306 1.00 52.43 C ATOM 1515 C GLU A 99 7.224 -13.140 -9.280 1.00 14.31 C ATOM 1516 O GLU A 99 8.088 -13.317 -8.422 1.00 61.23 O ATOM 1517 CB GLU A 99 7.849 -14.097 -11.506 1.00 15.54 C ATOM 1518 CG GLU A 99 9.316 -14.008 -11.121 1.00 13.43 C ATOM 1519 CD GLU A 99 9.776 -15.196 -10.299 1.00 64.03 C ATOM 1520 OE1 GLU A 99 9.253 -16.308 -10.521 1.00 63.32 O ATOM 1521 OE2 GLU A 99 10.659 -15.014 -9.435 1.00 62.31 O ATOM 0 H GLU A 99 5.378 -13.620 -11.608 1.00 54.20 H new ATOM 0 HA GLU A 99 7.055 -15.197 -9.838 1.00 52.43 H new ATOM 0 HB2 GLU A 99 7.706 -14.955 -12.162 1.00 15.54 H new ATOM 0 HB3 GLU A 99 7.578 -13.210 -12.078 1.00 15.54 H new ATOM 0 HG2 GLU A 99 9.922 -13.940 -12.025 1.00 13.43 H new ATOM 0 HG3 GLU A 99 9.484 -13.092 -10.555 1.00 13.43 H new