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 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 74:sc= 0.649 USER MOD Single : A 14 LYS NZ :NH3+ 156:sc= -0.021 (180deg=-0.274) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 40:sc= 0.735 USER MOD Single : A 40 SER OG : rot 48:sc= 0.0809 USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 150:sc= -0.908 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -2.94 K(o=-2.9,f=-5.5!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.0157 K(o=-0.016,f=-1.5) 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 152:sc= -0.0806 (180deg=-1.49) 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 132:sc= -0.0363 USER MOD Single : A 95 GLN : amide:sc= -0.261 K(o=-0.26,f=-0.93) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N PRO A 3 0.538 2.042 -5.999 1.00 51.10 N ATOM 38 CA PRO A 3 0.907 2.377 -7.378 1.00 13.34 C ATOM 39 C PRO A 3 -0.058 1.781 -8.397 1.00 51.41 C ATOM 40 O PRO A 3 0.149 0.672 -8.887 1.00 64.53 O ATOM 41 CB PRO A 3 2.298 1.759 -7.533 1.00 62.40 C ATOM 42 CG PRO A 3 2.332 0.648 -6.541 1.00 32.12 C ATOM 43 CD PRO A 3 1.489 1.102 -5.382 1.00 12.54 C ATOM 0 HA PRO A 3 0.881 3.452 -7.557 1.00 13.34 H new ATOM 0 HB2 PRO A 3 2.456 1.390 -8.546 1.00 62.40 H new ATOM 0 HB3 PRO A 3 3.081 2.491 -7.334 1.00 62.40 H new ATOM 0 HG2 PRO A 3 1.939 -0.273 -6.972 1.00 32.12 H new ATOM 0 HG3 PRO A 3 3.354 0.440 -6.223 1.00 32.12 H new ATOM 0 HD2 PRO A 3 0.976 0.266 -4.906 1.00 12.54 H new ATOM 0 HD3 PRO A 3 2.091 1.586 -4.613 1.00 12.54 H new ATOM 51 N SER A 4 -1.113 2.526 -8.712 1.00 51.02 N ATOM 52 CA SER A 4 -2.112 2.069 -9.671 1.00 50.34 C ATOM 53 C SER A 4 -2.873 0.863 -9.130 1.00 53.00 C ATOM 54 O SER A 4 -3.326 0.008 -9.891 1.00 34.31 O ATOM 55 CB SER A 4 -1.446 1.712 -11.002 1.00 34.54 C ATOM 56 OG SER A 4 -2.144 2.287 -12.092 1.00 55.12 O ATOM 0 H SER A 4 -1.298 3.448 -8.317 1.00 51.02 H new ATOM 0 HA SER A 4 -2.821 2.880 -9.834 1.00 50.34 H new ATOM 0 HB2 SER A 4 -0.414 2.063 -11.001 1.00 34.54 H new ATOM 0 HB3 SER A 4 -1.414 0.629 -11.117 1.00 34.54 H new ATOM 0 HG SER A 4 -1.698 2.045 -12.930 1.00 55.12 H new ATOM 62 N PHE A 5 -3.010 0.802 -7.810 1.00 21.54 N ATOM 63 CA PHE A 5 -3.715 -0.300 -7.164 1.00 52.25 C ATOM 64 C PHE A 5 -3.211 -1.645 -7.680 1.00 53.31 C ATOM 65 O PHE A 5 -3.670 -2.138 -8.710 1.00 44.44 O ATOM 66 CB PHE A 5 -5.221 -0.180 -7.406 1.00 73.10 C ATOM 67 CG PHE A 5 -6.025 -0.074 -6.141 1.00 43.24 C ATOM 68 CD1 PHE A 5 -5.855 -0.992 -5.118 1.00 2.13 C ATOM 69 CD2 PHE A 5 -6.950 0.944 -5.977 1.00 12.15 C ATOM 70 CE1 PHE A 5 -6.592 -0.897 -3.952 1.00 51.35 C ATOM 71 CE2 PHE A 5 -7.690 1.045 -4.813 1.00 71.45 C ATOM 72 CZ PHE A 5 -7.512 0.122 -3.801 1.00 3.42 C ATOM 0 H PHE A 5 -2.642 1.502 -7.166 1.00 21.54 H new ATOM 0 HA PHE A 5 -3.520 -0.246 -6.093 1.00 52.25 H new ATOM 0 HB2 PHE A 5 -5.413 0.697 -8.024 1.00 73.10 H new ATOM 0 HB3 PHE A 5 -5.560 -1.048 -7.971 1.00 73.10 H new ATOM 0 HD1 PHE A 5 -5.138 -1.792 -5.232 1.00 2.13 H new ATOM 0 HD2 PHE A 5 -7.095 1.667 -6.767 1.00 12.15 H new ATOM 0 HE1 PHE A 5 -6.449 -1.618 -3.161 1.00 51.35 H new ATOM 0 HE2 PHE A 5 -8.406 1.845 -4.695 1.00 71.45 H new ATOM 0 HZ PHE A 5 -8.092 0.197 -2.893 1.00 3.42 H new ATOM 82 N ALA A 6 -2.265 -2.232 -6.956 1.00 24.32 N ATOM 83 CA ALA A 6 -1.699 -3.520 -7.338 1.00 61.13 C ATOM 84 C ALA A 6 -0.929 -3.414 -8.650 1.00 51.33 C ATOM 85 O ALA A 6 -1.463 -3.658 -9.733 1.00 23.34 O ATOM 86 CB ALA A 6 -2.798 -4.566 -7.452 1.00 62.21 C ATOM 0 H ALA A 6 -1.874 -1.836 -6.101 1.00 24.32 H new ATOM 0 HA ALA A 6 -0.999 -3.827 -6.560 1.00 61.13 H new ATOM 0 HB1 ALA A 6 -2.361 -5.523 -7.738 1.00 62.21 H new ATOM 0 HB2 ALA A 6 -3.303 -4.670 -6.491 1.00 62.21 H new ATOM 0 HB3 ALA A 6 -3.519 -4.256 -8.209 1.00 62.21 H new ATOM 92 N PRO A 7 0.355 -3.039 -8.555 1.00 24.40 N ATOM 93 CA PRO A 7 1.226 -2.892 -9.725 1.00 52.02 C ATOM 94 C PRO A 7 1.562 -4.232 -10.370 1.00 23.20 C ATOM 95 O PRO A 7 2.169 -5.099 -9.742 1.00 71.24 O ATOM 96 CB PRO A 7 2.487 -2.244 -9.149 1.00 44.14 C ATOM 97 CG PRO A 7 2.499 -2.646 -7.715 1.00 60.10 C ATOM 98 CD PRO A 7 1.057 -2.732 -7.297 1.00 40.04 C ATOM 0 HA PRO A 7 0.753 -2.308 -10.515 1.00 52.02 H new ATOM 0 HB2 PRO A 7 3.382 -2.592 -9.665 1.00 44.14 H new ATOM 0 HB3 PRO A 7 2.459 -1.160 -9.256 1.00 44.14 H new ATOM 0 HG2 PRO A 7 3.002 -3.604 -7.583 1.00 60.10 H new ATOM 0 HG3 PRO A 7 3.038 -1.917 -7.110 1.00 60.10 H new ATOM 0 HD2 PRO A 7 0.901 -3.510 -6.550 1.00 40.04 H new ATOM 0 HD3 PRO A 7 0.709 -1.796 -6.860 1.00 40.04 H new ATOM 106 N GLY A 8 1.164 -4.395 -11.628 1.00 64.13 N ATOM 107 CA GLY A 8 1.433 -5.633 -12.337 1.00 43.40 C ATOM 108 C GLY A 8 0.167 -6.306 -12.829 1.00 4.21 C ATOM 109 O GLY A 8 0.178 -7.487 -13.178 1.00 12.13 O ATOM 0 H GLY A 8 0.660 -3.692 -12.169 1.00 64.13 H new ATOM 0 HA2 GLY A 8 2.085 -5.428 -13.186 1.00 43.40 H new ATOM 0 HA3 GLY A 8 1.971 -6.315 -11.679 1.00 43.40 H new ATOM 113 N THR A 9 -0.929 -5.554 -12.856 1.00 62.11 N ATOM 114 CA THR A 9 -2.209 -6.086 -13.306 1.00 12.42 C ATOM 115 C THR A 9 -2.362 -5.948 -14.816 1.00 43.22 C ATOM 116 O THR A 9 -2.121 -4.879 -15.380 1.00 32.31 O ATOM 117 CB THR A 9 -3.387 -5.373 -12.615 1.00 51.10 C ATOM 118 OG1 THR A 9 -3.032 -5.030 -11.271 1.00 11.01 O ATOM 119 CG2 THR A 9 -4.625 -6.257 -12.608 1.00 54.42 C ATOM 0 H THR A 9 -0.956 -4.575 -12.572 1.00 62.11 H new ATOM 0 HA THR A 9 -2.224 -7.142 -13.037 1.00 12.42 H new ATOM 0 HB THR A 9 -3.611 -4.464 -13.174 1.00 51.10 H new ATOM 0 HG1 THR A 9 -2.407 -4.275 -11.280 1.00 11.01 H new ATOM 0 HG21 THR A 9 -5.444 -5.733 -12.115 1.00 54.42 H new ATOM 0 HG22 THR A 9 -4.910 -6.492 -13.633 1.00 54.42 H new ATOM 0 HG23 THR A 9 -4.410 -7.180 -12.070 1.00 54.42 H new ATOM 127 N LEU A 10 -2.763 -7.034 -15.467 1.00 53.00 N ATOM 128 CA LEU A 10 -2.949 -7.034 -16.914 1.00 31.00 C ATOM 129 C LEU A 10 -4.400 -6.735 -17.277 1.00 12.33 C ATOM 130 O LEU A 10 -5.319 -7.412 -16.815 1.00 41.22 O ATOM 131 CB LEU A 10 -2.533 -8.384 -17.501 1.00 43.44 C ATOM 132 CG LEU A 10 -2.146 -8.381 -18.981 1.00 22.13 C ATOM 133 CD1 LEU A 10 -1.439 -9.676 -19.350 1.00 5.13 C ATOM 134 CD2 LEU A 10 -3.376 -8.176 -19.853 1.00 45.32 C ATOM 0 H LEU A 10 -2.966 -7.926 -15.016 1.00 53.00 H new ATOM 0 HA LEU A 10 -2.319 -6.251 -17.336 1.00 31.00 H new ATOM 0 HB2 LEU A 10 -1.688 -8.763 -16.926 1.00 43.44 H new ATOM 0 HB3 LEU A 10 -3.354 -9.087 -17.362 1.00 43.44 H new ATOM 0 HG LEU A 10 -1.459 -7.553 -19.156 1.00 22.13 H new ATOM 0 HD11 LEU A 10 -1.171 -9.656 -20.406 1.00 5.13 H new ATOM 0 HD12 LEU A 10 -0.536 -9.782 -18.749 1.00 5.13 H new ATOM 0 HD13 LEU A 10 -2.102 -10.520 -19.160 1.00 5.13 H new ATOM 0 HD21 LEU A 10 -3.082 -8.177 -20.903 1.00 45.32 H new ATOM 0 HD22 LEU A 10 -4.087 -8.983 -19.675 1.00 45.32 H new ATOM 0 HD23 LEU A 10 -3.841 -7.222 -19.607 1.00 45.32 H new ATOM 146 N VAL A 11 -4.599 -5.717 -18.108 1.00 51.31 N ATOM 147 CA VAL A 11 -5.938 -5.330 -18.536 1.00 10.51 C ATOM 148 C VAL A 11 -6.000 -5.145 -20.048 1.00 1.10 C ATOM 149 O VAL A 11 -5.014 -5.367 -20.751 1.00 53.03 O ATOM 150 CB VAL A 11 -6.391 -4.026 -17.852 1.00 21.03 C ATOM 151 CG1 VAL A 11 -6.565 -4.241 -16.356 1.00 2.51 C ATOM 152 CG2 VAL A 11 -5.397 -2.908 -18.126 1.00 51.42 C ATOM 0 H VAL A 11 -3.850 -5.145 -18.498 1.00 51.31 H new ATOM 0 HA VAL A 11 -6.609 -6.138 -18.244 1.00 10.51 H new ATOM 0 HB VAL A 11 -7.355 -3.734 -18.268 1.00 21.03 H new ATOM 0 HG11 VAL A 11 -6.885 -3.309 -15.889 1.00 2.51 H new ATOM 0 HG12 VAL A 11 -7.318 -5.010 -16.184 1.00 2.51 H new ATOM 0 HG13 VAL A 11 -5.617 -4.557 -15.921 1.00 2.51 H new ATOM 0 HG21 VAL A 11 -5.733 -1.994 -17.635 1.00 51.42 H new ATOM 0 HG22 VAL A 11 -4.418 -3.189 -17.739 1.00 51.42 H new ATOM 0 HG23 VAL A 11 -5.327 -2.738 -19.200 1.00 51.42 H new ATOM 162 N TRP A 12 -7.163 -4.737 -20.541 1.00 75.02 N ATOM 163 CA TRP A 12 -7.354 -4.522 -21.971 1.00 40.31 C ATOM 164 C TRP A 12 -7.688 -3.063 -22.262 1.00 53.12 C ATOM 165 O TRP A 12 -8.537 -2.466 -21.599 1.00 12.13 O ATOM 166 CB TRP A 12 -8.466 -5.428 -22.500 1.00 74.35 C ATOM 167 CG TRP A 12 -7.963 -6.734 -23.039 1.00 14.54 C ATOM 168 CD1 TRP A 12 -6.806 -6.942 -23.733 1.00 31.41 C ATOM 169 CD2 TRP A 12 -8.603 -8.010 -22.928 1.00 51.40 C ATOM 170 NE1 TRP A 12 -6.688 -8.272 -24.061 1.00 2.53 N ATOM 171 CE2 TRP A 12 -7.777 -8.948 -23.578 1.00 2.54 C ATOM 172 CE3 TRP A 12 -9.792 -8.452 -22.342 1.00 11.31 C ATOM 173 CZ2 TRP A 12 -8.104 -10.298 -23.657 1.00 31.51 C ATOM 174 CZ3 TRP A 12 -10.116 -9.793 -22.422 1.00 3.22 C ATOM 175 CH2 TRP A 12 -9.274 -10.704 -23.074 1.00 53.54 C ATOM 0 H TRP A 12 -7.988 -4.548 -19.972 1.00 75.02 H new ATOM 0 HA TRP A 12 -6.422 -4.770 -22.478 1.00 40.31 H new ATOM 0 HB2 TRP A 12 -9.177 -5.624 -21.698 1.00 74.35 H new ATOM 0 HB3 TRP A 12 -9.009 -4.904 -23.286 1.00 74.35 H new ATOM 0 HD1 TRP A 12 -6.089 -6.175 -23.987 1.00 31.41 H new ATOM 0 HE1 TRP A 12 -5.915 -8.688 -24.580 1.00 2.53 H new ATOM 0 HE3 TRP A 12 -10.446 -7.758 -21.835 1.00 11.31 H new ATOM 0 HZ2 TRP A 12 -7.457 -11.001 -24.161 1.00 31.51 H new ATOM 0 HZ3 TRP A 12 -11.034 -10.145 -21.974 1.00 3.22 H new ATOM 0 HH2 TRP A 12 -9.554 -11.746 -23.117 1.00 53.54 H new ATOM 186 N LEU A 13 -7.017 -2.494 -23.257 1.00 50.13 N ATOM 187 CA LEU A 13 -7.244 -1.104 -23.637 1.00 3.45 C ATOM 188 C LEU A 13 -7.816 -1.010 -25.047 1.00 62.24 C ATOM 189 O LEU A 13 -7.162 -1.386 -26.021 1.00 3.54 O ATOM 190 CB LEU A 13 -5.938 -0.311 -23.550 1.00 21.40 C ATOM 191 CG LEU A 13 -6.029 1.062 -22.884 1.00 21.24 C ATOM 192 CD1 LEU A 13 -4.997 1.186 -21.774 1.00 24.03 C ATOM 193 CD2 LEU A 13 -5.844 2.167 -23.913 1.00 3.43 C ATOM 0 H LEU A 13 -6.311 -2.974 -23.816 1.00 50.13 H new ATOM 0 HA LEU A 13 -7.968 -0.678 -22.943 1.00 3.45 H new ATOM 0 HB2 LEU A 13 -5.209 -0.910 -23.004 1.00 21.40 H new ATOM 0 HB3 LEU A 13 -5.549 -0.178 -24.560 1.00 21.40 H new ATOM 0 HG LEU A 13 -7.020 1.166 -22.443 1.00 21.24 H new ATOM 0 HD11 LEU A 13 -5.077 2.170 -21.311 1.00 24.03 H new ATOM 0 HD12 LEU A 13 -5.176 0.416 -21.023 1.00 24.03 H new ATOM 0 HD13 LEU A 13 -3.998 1.061 -22.191 1.00 24.03 H new ATOM 0 HD21 LEU A 13 -5.912 3.137 -23.421 1.00 3.43 H new ATOM 0 HD22 LEU A 13 -4.866 2.066 -24.383 1.00 3.43 H new ATOM 0 HD23 LEU A 13 -6.622 2.090 -24.673 1.00 3.43 H new ATOM 205 N LYS A 14 -9.040 -0.505 -25.151 1.00 74.44 N ATOM 206 CA LYS A 14 -9.701 -0.359 -26.443 1.00 1.50 C ATOM 207 C LYS A 14 -9.739 1.105 -26.872 1.00 25.15 C ATOM 208 O LYS A 14 -10.296 1.951 -26.173 1.00 74.31 O ATOM 209 CB LYS A 14 -11.124 -0.919 -26.378 1.00 45.31 C ATOM 210 CG LYS A 14 -11.700 -1.272 -27.738 1.00 35.41 C ATOM 211 CD LYS A 14 -13.029 -1.999 -27.608 1.00 64.12 C ATOM 212 CE LYS A 14 -14.203 -1.057 -27.824 1.00 1.10 C ATOM 213 NZ LYS A 14 -14.287 -0.590 -29.236 1.00 35.14 N ATOM 0 H LYS A 14 -9.595 -0.190 -24.356 1.00 74.44 H new ATOM 0 HA LYS A 14 -9.129 -0.922 -27.181 1.00 1.50 H new ATOM 0 HB2 LYS A 14 -11.127 -1.809 -25.749 1.00 45.31 H new ATOM 0 HB3 LYS A 14 -11.772 -0.187 -25.897 1.00 45.31 H new ATOM 0 HG2 LYS A 14 -11.837 -0.363 -28.323 1.00 35.41 H new ATOM 0 HG3 LYS A 14 -10.993 -1.898 -28.282 1.00 35.41 H new ATOM 0 HD2 LYS A 14 -13.074 -2.810 -28.335 1.00 64.12 H new ATOM 0 HD3 LYS A 14 -13.102 -2.452 -26.619 1.00 64.12 H new ATOM 0 HE2 LYS A 14 -15.129 -1.563 -27.553 1.00 1.10 H new ATOM 0 HE3 LYS A 14 -14.105 -0.197 -27.162 1.00 1.10 H new ATOM 0 HZ1 LYS A 14 -15.265 -0.307 -29.450 1.00 35.14 H new ATOM 0 HZ2 LYS A 14 -13.653 0.224 -29.371 1.00 35.14 H new ATOM 0 HZ3 LYS A 14 -14.002 -1.360 -29.874 1.00 35.14 H new ATOM 227 N GLN A 15 -9.143 1.395 -28.024 1.00 22.13 N ATOM 228 CA GLN A 15 -9.110 2.756 -28.545 1.00 2.54 C ATOM 229 C GLN A 15 -10.468 3.156 -29.111 1.00 35.23 C ATOM 230 O GLN A 15 -11.422 2.378 -29.069 1.00 12.41 O ATOM 231 CB GLN A 15 -8.036 2.885 -29.626 1.00 4.51 C ATOM 232 CG GLN A 15 -6.885 3.799 -29.235 1.00 14.41 C ATOM 233 CD GLN A 15 -5.683 3.035 -28.717 1.00 0.21 C ATOM 234 OE1 GLN A 15 -4.744 2.753 -29.462 1.00 74.41 O ATOM 235 NE2 GLN A 15 -5.705 2.696 -27.433 1.00 43.31 N ATOM 0 H GLN A 15 -8.677 0.706 -28.614 1.00 22.13 H new ATOM 0 HA GLN A 15 -8.869 3.427 -27.721 1.00 2.54 H new ATOM 0 HB2 GLN A 15 -7.641 1.895 -29.854 1.00 4.51 H new ATOM 0 HB3 GLN A 15 -8.495 3.263 -30.539 1.00 4.51 H new ATOM 0 HG2 GLN A 15 -6.588 4.393 -30.099 1.00 14.41 H new ATOM 0 HG3 GLN A 15 -7.224 4.497 -28.470 1.00 14.41 H new ATOM 0 HE21 GLN A 15 -6.504 2.950 -26.852 1.00 43.31 H new ATOM 0 HE22 GLN A 15 -4.923 2.181 -27.028 1.00 43.31 H new ATOM 244 N ASP A 16 -10.549 4.372 -29.639 1.00 72.00 N ATOM 245 CA ASP A 16 -11.791 4.875 -30.214 1.00 73.35 C ATOM 246 C ASP A 16 -12.199 4.050 -31.431 1.00 53.14 C ATOM 247 O ASP A 16 -13.280 3.461 -31.460 1.00 51.45 O ATOM 248 CB ASP A 16 -11.638 6.345 -30.607 1.00 71.12 C ATOM 249 CG ASP A 16 -11.421 7.245 -29.407 1.00 4.11 C ATOM 250 OD1 ASP A 16 -10.324 7.832 -29.296 1.00 4.00 O ATOM 251 OD2 ASP A 16 -12.348 7.364 -28.579 1.00 24.51 O ATOM 0 H ASP A 16 -9.769 5.028 -29.681 1.00 72.00 H new ATOM 0 HA ASP A 16 -12.573 4.789 -29.460 1.00 73.35 H new ATOM 0 HB2 ASP A 16 -10.797 6.449 -31.293 1.00 71.12 H new ATOM 0 HB3 ASP A 16 -12.529 6.669 -31.144 1.00 71.12 H new ATOM 256 N ARG A 17 -11.328 4.014 -32.434 1.00 61.41 N ATOM 257 CA ARG A 17 -11.599 3.263 -33.655 1.00 5.45 C ATOM 258 C ARG A 17 -10.728 2.012 -33.728 1.00 13.03 C ATOM 259 O ARG A 17 -11.063 1.050 -34.419 1.00 41.04 O ATOM 260 CB ARG A 17 -11.353 4.141 -34.883 1.00 43.02 C ATOM 261 CG ARG A 17 -12.628 4.664 -35.523 1.00 74.44 C ATOM 262 CD ARG A 17 -12.354 5.288 -36.882 1.00 52.44 C ATOM 263 NE ARG A 17 -11.266 6.261 -36.828 1.00 52.11 N ATOM 264 CZ ARG A 17 -10.664 6.751 -37.906 1.00 60.00 C ATOM 265 NH1 ARG A 17 -11.042 6.361 -39.116 1.00 12.25 N ATOM 266 NH2 ARG A 17 -9.681 7.633 -37.775 1.00 54.13 N ATOM 0 H ARG A 17 -10.429 4.496 -32.426 1.00 61.41 H new ATOM 0 HA ARG A 17 -12.645 2.956 -33.639 1.00 5.45 H new ATOM 0 HB2 ARG A 17 -10.728 4.986 -34.595 1.00 43.02 H new ATOM 0 HB3 ARG A 17 -10.794 3.568 -35.623 1.00 43.02 H new ATOM 0 HG2 ARG A 17 -13.342 3.848 -35.634 1.00 74.44 H new ATOM 0 HG3 ARG A 17 -13.088 5.404 -34.868 1.00 74.44 H new ATOM 0 HD2 ARG A 17 -12.104 4.504 -37.597 1.00 52.44 H new ATOM 0 HD3 ARG A 17 -13.258 5.775 -37.246 1.00 52.44 H new ATOM 0 HE ARG A 17 -10.951 6.582 -35.912 1.00 52.11 H new ATOM 0 HH11 ARG A 17 -11.797 5.683 -39.221 1.00 12.25 H new ATOM 0 HH12 ARG A 17 -10.578 6.739 -39.942 1.00 12.25 H new ATOM 0 HH21 ARG A 17 -9.387 7.935 -36.846 1.00 54.13 H new ATOM 0 HH22 ARG A 17 -9.219 8.009 -38.603 1.00 54.13 H new ATOM 280 N PHE A 18 -9.610 2.033 -33.010 1.00 60.52 N ATOM 281 CA PHE A 18 -8.691 0.901 -32.995 1.00 23.32 C ATOM 282 C PHE A 18 -9.206 -0.206 -32.080 1.00 33.41 C ATOM 283 O PHE A 18 -10.004 0.026 -31.171 1.00 62.31 O ATOM 284 CB PHE A 18 -7.302 1.351 -32.537 1.00 22.31 C ATOM 285 CG PHE A 18 -6.290 1.395 -33.646 1.00 51.11 C ATOM 286 CD1 PHE A 18 -6.585 2.023 -34.845 1.00 44.25 C ATOM 287 CD2 PHE A 18 -5.045 0.808 -33.490 1.00 3.34 C ATOM 288 CE1 PHE A 18 -5.656 2.066 -35.868 1.00 43.22 C ATOM 289 CE2 PHE A 18 -4.112 0.849 -34.508 1.00 63.45 C ATOM 290 CZ PHE A 18 -4.418 1.477 -35.700 1.00 10.24 C ATOM 0 H PHE A 18 -9.319 2.821 -32.431 1.00 60.52 H new ATOM 0 HA PHE A 18 -8.622 0.507 -34.009 1.00 23.32 H new ATOM 0 HB2 PHE A 18 -7.380 2.341 -32.087 1.00 22.31 H new ATOM 0 HB3 PHE A 18 -6.948 0.674 -31.759 1.00 22.31 H new ATOM 0 HD1 PHE A 18 -7.552 2.484 -34.982 1.00 44.25 H new ATOM 0 HD2 PHE A 18 -4.801 0.313 -32.562 1.00 3.34 H new ATOM 0 HE1 PHE A 18 -5.898 2.560 -36.798 1.00 43.22 H new ATOM 0 HE2 PHE A 18 -3.144 0.390 -34.372 1.00 63.45 H new ATOM 0 HZ PHE A 18 -3.691 1.507 -36.498 1.00 10.24 H new ATOM 300 N PRO A 19 -8.741 -1.440 -32.325 1.00 31.31 N ATOM 301 CA PRO A 19 -9.141 -2.608 -31.535 1.00 31.52 C ATOM 302 C PRO A 19 -8.577 -2.571 -30.119 1.00 33.14 C ATOM 303 O PRO A 19 -7.799 -1.682 -29.774 1.00 23.11 O ATOM 304 CB PRO A 19 -8.549 -3.784 -32.315 1.00 63.44 C ATOM 305 CG PRO A 19 -7.396 -3.203 -33.059 1.00 72.13 C ATOM 306 CD PRO A 19 -7.788 -1.790 -33.392 1.00 34.11 C ATOM 0 HA PRO A 19 -10.222 -2.663 -31.409 1.00 31.52 H new ATOM 0 HB2 PRO A 19 -8.227 -4.581 -31.645 1.00 63.44 H new ATOM 0 HB3 PRO A 19 -9.282 -4.217 -32.996 1.00 63.44 H new ATOM 0 HG2 PRO A 19 -6.490 -3.224 -32.453 1.00 72.13 H new ATOM 0 HG3 PRO A 19 -7.188 -3.774 -33.964 1.00 72.13 H new ATOM 0 HD2 PRO A 19 -6.925 -1.124 -33.395 1.00 34.11 H new ATOM 0 HD3 PRO A 19 -8.246 -1.722 -34.379 1.00 34.11 H new ATOM 314 N TRP A 20 -8.975 -3.541 -29.303 1.00 43.01 N ATOM 315 CA TRP A 20 -8.508 -3.618 -27.923 1.00 62.54 C ATOM 316 C TRP A 20 -7.288 -4.527 -27.812 1.00 13.33 C ATOM 317 O TRP A 20 -7.307 -5.666 -28.277 1.00 73.20 O ATOM 318 CB TRP A 20 -9.625 -4.130 -27.013 1.00 74.32 C ATOM 319 CG TRP A 20 -10.056 -5.530 -27.331 1.00 74.12 C ATOM 320 CD1 TRP A 20 -9.576 -6.682 -26.776 1.00 15.45 C ATOM 321 CD2 TRP A 20 -11.053 -5.925 -28.281 1.00 24.25 C ATOM 322 NE1 TRP A 20 -10.214 -7.769 -27.322 1.00 54.13 N ATOM 323 CE2 TRP A 20 -11.125 -7.332 -28.247 1.00 51.43 C ATOM 324 CE3 TRP A 20 -11.892 -5.228 -29.154 1.00 21.13 C ATOM 325 CZ2 TRP A 20 -12.002 -8.051 -29.055 1.00 14.33 C ATOM 326 CZ3 TRP A 20 -12.762 -5.943 -29.955 1.00 22.35 C ATOM 327 CH2 TRP A 20 -12.812 -7.343 -29.900 1.00 54.52 C ATOM 0 H TRP A 20 -9.619 -4.284 -29.573 1.00 43.01 H new ATOM 0 HA TRP A 20 -8.222 -2.615 -27.606 1.00 62.54 H new ATOM 0 HB2 TRP A 20 -9.288 -4.088 -25.977 1.00 74.32 H new ATOM 0 HB3 TRP A 20 -10.485 -3.465 -27.096 1.00 74.32 H new ATOM 0 HD1 TRP A 20 -8.807 -6.731 -26.019 1.00 15.45 H new ATOM 0 HE1 TRP A 20 -10.038 -8.744 -27.078 1.00 54.13 H new ATOM 0 HE3 TRP A 20 -11.861 -4.150 -29.202 1.00 21.13 H new ATOM 0 HZ2 TRP A 20 -12.041 -9.130 -29.016 1.00 14.33 H new ATOM 0 HZ3 TRP A 20 -13.414 -5.415 -30.635 1.00 22.35 H new ATOM 0 HH2 TRP A 20 -13.504 -7.873 -30.538 1.00 54.52 H new ATOM 338 N TRP A 21 -6.230 -4.016 -27.193 1.00 14.35 N ATOM 339 CA TRP A 21 -5.002 -4.782 -27.020 1.00 63.40 C ATOM 340 C TRP A 21 -4.631 -4.891 -25.545 1.00 65.32 C ATOM 341 O TRP A 21 -4.986 -4.043 -24.727 1.00 32.01 O ATOM 342 CB TRP A 21 -3.857 -4.133 -27.800 1.00 74.21 C ATOM 343 CG TRP A 21 -3.957 -4.339 -29.281 1.00 44.14 C ATOM 344 CD1 TRP A 21 -4.350 -5.477 -29.926 1.00 54.53 C ATOM 345 CD2 TRP A 21 -3.655 -3.381 -30.302 1.00 2.13 C ATOM 346 NE1 TRP A 21 -4.312 -5.283 -31.286 1.00 64.42 N ATOM 347 CE2 TRP A 21 -3.889 -4.006 -31.542 1.00 50.23 C ATOM 348 CE3 TRP A 21 -3.212 -2.056 -30.288 1.00 42.32 C ATOM 349 CZ2 TRP A 21 -3.693 -3.350 -32.755 1.00 12.34 C ATOM 350 CZ3 TRP A 21 -3.018 -1.406 -31.492 1.00 64.03 C ATOM 351 CH2 TRP A 21 -3.259 -2.053 -32.712 1.00 1.23 C ATOM 0 H TRP A 21 -6.198 -3.074 -26.803 1.00 14.35 H new ATOM 0 HA TRP A 21 -5.173 -5.786 -27.407 1.00 63.40 H new ATOM 0 HB2 TRP A 21 -3.843 -3.064 -27.589 1.00 74.21 H new ATOM 0 HB3 TRP A 21 -2.909 -4.540 -27.447 1.00 74.21 H new ATOM 0 HD1 TRP A 21 -4.647 -6.394 -29.439 1.00 54.53 H new ATOM 0 HE1 TRP A 21 -4.559 -5.978 -31.991 1.00 64.42 H new ATOM 0 HE3 TRP A 21 -3.025 -1.549 -29.353 1.00 42.32 H new ATOM 0 HZ2 TRP A 21 -3.877 -3.847 -33.696 1.00 12.34 H new ATOM 0 HZ3 TRP A 21 -2.675 -0.382 -31.493 1.00 64.03 H new ATOM 0 HH2 TRP A 21 -3.099 -1.517 -33.636 1.00 1.23 H new ATOM 362 N PRO A 22 -3.898 -5.959 -25.195 1.00 72.24 N ATOM 363 CA PRO A 22 -3.462 -6.203 -23.817 1.00 74.12 C ATOM 364 C PRO A 22 -2.405 -5.205 -23.358 1.00 61.03 C ATOM 365 O PRO A 22 -1.600 -4.728 -24.157 1.00 24.13 O ATOM 366 CB PRO A 22 -2.875 -7.616 -23.876 1.00 11.54 C ATOM 367 CG PRO A 22 -2.454 -7.792 -25.294 1.00 31.34 C ATOM 368 CD PRO A 22 -3.439 -7.010 -26.118 1.00 63.55 C ATOM 0 HA PRO A 22 -4.281 -6.096 -23.105 1.00 74.12 H new ATOM 0 HB2 PRO A 22 -2.030 -7.722 -23.196 1.00 11.54 H new ATOM 0 HB3 PRO A 22 -3.613 -8.364 -23.586 1.00 11.54 H new ATOM 0 HG2 PRO A 22 -1.439 -7.426 -25.448 1.00 31.34 H new ATOM 0 HG3 PRO A 22 -2.459 -8.845 -25.575 1.00 31.34 H new ATOM 0 HD2 PRO A 22 -2.972 -6.587 -27.008 1.00 63.55 H new ATOM 0 HD3 PRO A 22 -4.265 -7.635 -26.457 1.00 63.55 H new ATOM 376 N GLY A 23 -2.413 -4.893 -22.066 1.00 21.43 N ATOM 377 CA GLY A 23 -1.449 -3.954 -21.523 1.00 52.32 C ATOM 378 C GLY A 23 -1.283 -4.094 -20.023 1.00 75.21 C ATOM 379 O GLY A 23 -2.266 -4.223 -19.292 1.00 3.51 O ATOM 0 H GLY A 23 -3.070 -5.274 -21.385 1.00 21.43 H new ATOM 0 HA2 GLY A 23 -0.485 -4.107 -22.008 1.00 52.32 H new ATOM 0 HA3 GLY A 23 -1.765 -2.938 -21.757 1.00 52.32 H new ATOM 383 N PHE A 24 -0.037 -4.072 -19.562 1.00 52.23 N ATOM 384 CA PHE A 24 0.254 -4.200 -18.139 1.00 62.53 C ATOM 385 C PHE A 24 0.142 -2.851 -17.437 1.00 11.41 C ATOM 386 O PHE A 24 0.811 -1.887 -17.809 1.00 5.22 O ATOM 387 CB PHE A 24 1.656 -4.780 -17.934 1.00 54.34 C ATOM 388 CG PHE A 24 1.675 -6.014 -17.079 1.00 12.03 C ATOM 389 CD1 PHE A 24 2.482 -6.081 -15.954 1.00 74.14 C ATOM 390 CD2 PHE A 24 0.886 -7.107 -17.399 1.00 64.42 C ATOM 391 CE1 PHE A 24 2.501 -7.215 -15.165 1.00 25.24 C ATOM 392 CE2 PHE A 24 0.902 -8.244 -16.613 1.00 72.00 C ATOM 393 CZ PHE A 24 1.711 -8.299 -15.495 1.00 42.51 C ATOM 0 H PHE A 24 0.787 -3.967 -20.153 1.00 52.23 H new ATOM 0 HA PHE A 24 -0.480 -4.878 -17.703 1.00 62.53 H new ATOM 0 HB2 PHE A 24 2.089 -5.015 -18.906 1.00 54.34 H new ATOM 0 HB3 PHE A 24 2.291 -4.021 -17.477 1.00 54.34 H new ATOM 0 HD1 PHE A 24 3.103 -5.237 -15.691 1.00 74.14 H new ATOM 0 HD2 PHE A 24 0.251 -7.070 -18.272 1.00 64.42 H new ATOM 0 HE1 PHE A 24 3.133 -7.254 -14.290 1.00 25.24 H new ATOM 0 HE2 PHE A 24 0.282 -9.089 -16.873 1.00 72.00 H new ATOM 0 HZ PHE A 24 1.726 -9.187 -14.881 1.00 42.51 H new ATOM 403 N VAL A 25 -0.711 -2.789 -16.419 1.00 25.13 N ATOM 404 CA VAL A 25 -0.911 -1.558 -15.663 1.00 73.50 C ATOM 405 C VAL A 25 0.214 -1.341 -14.658 1.00 1.01 C ATOM 406 O VAL A 25 0.399 -2.135 -13.736 1.00 70.55 O ATOM 407 CB VAL A 25 -2.258 -1.573 -14.915 1.00 5.33 C ATOM 408 CG1 VAL A 25 -2.447 -0.283 -14.132 1.00 10.53 C ATOM 409 CG2 VAL A 25 -3.406 -1.788 -15.889 1.00 22.42 C ATOM 0 H VAL A 25 -1.274 -3.577 -16.099 1.00 25.13 H new ATOM 0 HA VAL A 25 -0.912 -0.740 -16.383 1.00 73.50 H new ATOM 0 HB VAL A 25 -2.252 -2.402 -14.208 1.00 5.33 H new ATOM 0 HG11 VAL A 25 -3.403 -0.311 -13.610 1.00 10.53 H new ATOM 0 HG12 VAL A 25 -1.641 -0.176 -13.406 1.00 10.53 H new ATOM 0 HG13 VAL A 25 -2.433 0.564 -14.818 1.00 10.53 H new ATOM 0 HG21 VAL A 25 -4.350 -1.796 -15.343 1.00 22.42 H new ATOM 0 HG22 VAL A 25 -3.417 -0.981 -16.622 1.00 22.42 H new ATOM 0 HG23 VAL A 25 -3.275 -2.741 -16.401 1.00 22.42 H new ATOM 419 N MET A 26 0.963 -0.259 -14.842 1.00 3.22 N ATOM 420 CA MET A 26 2.070 0.064 -13.949 1.00 45.43 C ATOM 421 C MET A 26 2.075 1.550 -13.604 1.00 52.35 C ATOM 422 O MET A 26 1.798 2.395 -14.456 1.00 10.42 O ATOM 423 CB MET A 26 3.403 -0.326 -14.593 1.00 14.25 C ATOM 424 CG MET A 26 3.475 -1.788 -15.002 1.00 13.11 C ATOM 425 SD MET A 26 5.170 -2.374 -15.190 1.00 15.21 S ATOM 426 CE MET A 26 5.262 -3.574 -13.864 1.00 32.13 C ATOM 0 H MET A 26 0.824 0.409 -15.601 1.00 3.22 H new ATOM 0 HA MET A 26 1.939 -0.504 -13.028 1.00 45.43 H new ATOM 0 HB2 MET A 26 3.569 0.297 -15.472 1.00 14.25 H new ATOM 0 HB3 MET A 26 4.211 -0.113 -13.894 1.00 14.25 H new ATOM 0 HG2 MET A 26 2.965 -2.396 -14.254 1.00 13.11 H new ATOM 0 HG3 MET A 26 2.941 -1.925 -15.942 1.00 13.11 H new ATOM 0 HE1 MET A 26 6.254 -4.025 -13.850 1.00 32.13 H new ATOM 0 HE2 MET A 26 5.075 -3.078 -12.911 1.00 32.13 H new ATOM 0 HE3 MET A 26 4.513 -4.350 -14.023 1.00 32.13 H new ATOM 436 N ASP A 27 2.390 1.861 -12.352 1.00 40.31 N ATOM 437 CA ASP A 27 2.431 3.246 -11.895 1.00 60.43 C ATOM 438 C ASP A 27 3.830 3.831 -12.061 1.00 53.52 C ATOM 439 O ASP A 27 4.839 3.139 -11.930 1.00 21.22 O ATOM 440 CB ASP A 27 1.998 3.335 -10.431 1.00 75.02 C ATOM 441 CG ASP A 27 0.863 4.319 -10.222 1.00 44.12 C ATOM 442 OD1 ASP A 27 -0.040 4.375 -11.083 1.00 41.50 O ATOM 443 OD2 ASP A 27 0.879 5.032 -9.197 1.00 54.35 O ATOM 0 H ASP A 27 2.621 1.173 -11.635 1.00 40.31 H new ATOM 0 HA ASP A 27 1.739 3.826 -12.506 1.00 60.43 H new ATOM 0 HB2 ASP A 27 1.688 2.349 -10.086 1.00 75.02 H new ATOM 0 HB3 ASP A 27 2.850 3.633 -9.820 1.00 75.02 H new ATOM 448 N PRO A 28 3.893 5.138 -12.358 1.00 21.00 N ATOM 449 CA PRO A 28 5.162 5.846 -12.549 1.00 25.20 C ATOM 450 C PRO A 28 5.940 6.004 -11.247 1.00 33.34 C ATOM 451 O PRO A 28 7.167 5.909 -11.230 1.00 2.52 O ATOM 452 CB PRO A 28 4.729 7.214 -13.082 1.00 63.54 C ATOM 453 CG PRO A 28 3.342 7.398 -12.570 1.00 64.14 C ATOM 454 CD PRO A 28 2.730 6.025 -12.529 1.00 42.14 C ATOM 0 HA PRO A 28 5.833 5.306 -13.217 1.00 25.20 H new ATOM 0 HB2 PRO A 28 5.390 8.005 -12.727 1.00 63.54 H new ATOM 0 HB3 PRO A 28 4.756 7.241 -14.171 1.00 63.54 H new ATOM 0 HG2 PRO A 28 3.349 7.852 -11.579 1.00 64.14 H new ATOM 0 HG3 PRO A 28 2.771 8.061 -13.220 1.00 64.14 H new ATOM 0 HD2 PRO A 28 2.023 5.924 -11.705 1.00 42.14 H new ATOM 0 HD3 PRO A 28 2.185 5.801 -13.446 1.00 42.14 H new ATOM 462 N ASP A 29 5.218 6.244 -10.158 1.00 32.13 N ATOM 463 CA ASP A 29 5.840 6.413 -8.850 1.00 10.42 C ATOM 464 C ASP A 29 4.786 6.651 -7.773 1.00 53.42 C ATOM 465 O ASP A 29 4.950 7.514 -6.911 1.00 72.11 O ATOM 466 CB ASP A 29 6.829 7.580 -8.879 1.00 61.41 C ATOM 467 CG ASP A 29 8.088 7.291 -8.085 1.00 13.44 C ATOM 468 OD1 ASP A 29 8.070 6.348 -7.267 1.00 24.53 O ATOM 469 OD2 ASP A 29 9.090 8.009 -8.281 1.00 43.22 O ATOM 0 H ASP A 29 4.201 6.326 -10.155 1.00 32.13 H new ATOM 0 HA ASP A 29 6.378 5.496 -8.610 1.00 10.42 H new ATOM 0 HB2 ASP A 29 7.097 7.800 -9.912 1.00 61.41 H new ATOM 0 HB3 ASP A 29 6.347 8.471 -8.478 1.00 61.41 H new ATOM 474 N GLU A 30 3.704 5.881 -7.831 1.00 54.41 N ATOM 475 CA GLU A 30 2.622 6.011 -6.862 1.00 20.23 C ATOM 476 C GLU A 30 1.962 7.383 -6.962 1.00 43.15 C ATOM 477 O GLU A 30 2.339 8.319 -6.257 1.00 20.23 O ATOM 478 CB GLU A 30 3.150 5.790 -5.443 1.00 20.53 C ATOM 479 CG GLU A 30 4.095 4.606 -5.323 1.00 4.14 C ATOM 480 CD GLU A 30 5.551 5.027 -5.252 1.00 74.32 C ATOM 481 OE1 GLU A 30 6.336 4.590 -6.119 1.00 43.03 O ATOM 482 OE2 GLU A 30 5.904 5.792 -4.331 1.00 33.43 O ATOM 0 H GLU A 30 3.553 5.161 -8.538 1.00 54.41 H new ATOM 0 HA GLU A 30 1.874 5.251 -7.087 1.00 20.23 H new ATOM 0 HB2 GLU A 30 3.666 6.691 -5.112 1.00 20.53 H new ATOM 0 HB3 GLU A 30 2.306 5.640 -4.770 1.00 20.53 H new ATOM 0 HG2 GLU A 30 3.842 4.033 -4.431 1.00 4.14 H new ATOM 0 HG3 GLU A 30 3.953 3.944 -6.178 1.00 4.14 H new ATOM 489 N VAL A 31 0.975 7.495 -7.846 1.00 4.41 N ATOM 490 CA VAL A 31 0.262 8.752 -8.040 1.00 2.12 C ATOM 491 C VAL A 31 -1.060 8.757 -7.281 1.00 22.45 C ATOM 492 O VAL A 31 -1.929 9.591 -7.533 1.00 32.05 O ATOM 493 CB VAL A 31 -0.014 9.016 -9.532 1.00 14.12 C ATOM 494 CG1 VAL A 31 1.282 8.993 -10.328 1.00 13.25 C ATOM 495 CG2 VAL A 31 -1.003 7.997 -10.078 1.00 52.43 C ATOM 0 H VAL A 31 0.651 6.731 -8.439 1.00 4.41 H new ATOM 0 HA VAL A 31 0.903 9.543 -7.651 1.00 2.12 H new ATOM 0 HB VAL A 31 -0.455 10.008 -9.632 1.00 14.12 H new ATOM 0 HG11 VAL A 31 1.066 9.181 -11.380 1.00 13.25 H new ATOM 0 HG12 VAL A 31 1.954 9.764 -9.951 1.00 13.25 H new ATOM 0 HG13 VAL A 31 1.756 8.017 -10.224 1.00 13.25 H new ATOM 0 HG21 VAL A 31 -1.187 8.198 -11.133 1.00 52.43 H new ATOM 0 HG22 VAL A 31 -0.591 6.994 -9.966 1.00 52.43 H new ATOM 0 HG23 VAL A 31 -1.940 8.068 -9.526 1.00 52.43 H new ATOM 505 N ARG A 32 -1.204 7.819 -6.350 1.00 13.25 N ATOM 506 CA ARG A 32 -2.421 7.714 -5.553 1.00 50.43 C ATOM 507 C ARG A 32 -2.303 8.531 -4.270 1.00 11.50 C ATOM 508 O ARG A 32 -3.300 9.029 -3.745 1.00 65.30 O ATOM 509 CB ARG A 32 -2.709 6.251 -5.214 1.00 34.10 C ATOM 510 CG ARG A 32 -3.244 5.447 -6.388 1.00 43.33 C ATOM 511 CD ARG A 32 -4.605 5.955 -6.838 1.00 2.24 C ATOM 512 NE ARG A 32 -5.577 5.953 -5.748 1.00 2.54 N ATOM 513 CZ ARG A 32 -6.850 6.300 -5.898 1.00 12.41 C ATOM 514 NH1 ARG A 32 -7.303 6.674 -7.087 1.00 1.54 N ATOM 515 NH2 ARG A 32 -7.674 6.273 -4.858 1.00 3.12 N ATOM 0 H ARG A 32 -0.494 7.121 -6.129 1.00 13.25 H new ATOM 0 HA ARG A 32 -3.247 8.113 -6.142 1.00 50.43 H new ATOM 0 HB2 ARG A 32 -1.793 5.784 -4.852 1.00 34.10 H new ATOM 0 HB3 ARG A 32 -3.431 6.211 -4.398 1.00 34.10 H new ATOM 0 HG2 ARG A 32 -2.541 5.503 -7.219 1.00 43.33 H new ATOM 0 HG3 ARG A 32 -3.322 4.397 -6.106 1.00 43.33 H new ATOM 0 HD2 ARG A 32 -4.503 6.967 -7.231 1.00 2.24 H new ATOM 0 HD3 ARG A 32 -4.973 5.332 -7.653 1.00 2.24 H new ATOM 0 HE ARG A 32 -5.261 5.670 -4.821 1.00 2.54 H new ATOM 0 HH11 ARG A 32 -6.673 6.696 -7.889 1.00 1.54 H new ATOM 0 HH12 ARG A 32 -8.281 6.940 -7.199 1.00 1.54 H new ATOM 0 HH21 ARG A 32 -7.330 5.985 -3.942 1.00 3.12 H new ATOM 0 HH22 ARG A 32 -8.652 6.540 -4.975 1.00 3.12 H new ATOM 529 N ASP A 33 -1.079 8.665 -3.770 1.00 55.14 N ATOM 530 CA ASP A 33 -0.831 9.422 -2.549 1.00 43.10 C ATOM 531 C ASP A 33 -0.220 10.783 -2.868 1.00 42.00 C ATOM 532 O ASP A 33 -0.488 11.771 -2.183 1.00 72.52 O ATOM 533 CB ASP A 33 0.096 8.639 -1.618 1.00 20.20 C ATOM 534 CG ASP A 33 -0.123 8.984 -0.158 1.00 42.52 C ATOM 535 OD1 ASP A 33 -1.259 8.807 0.330 1.00 24.42 O ATOM 536 OD2 ASP A 33 0.842 9.432 0.496 1.00 12.01 O ATOM 0 H ASP A 33 -0.244 8.259 -4.192 1.00 55.14 H new ATOM 0 HA ASP A 33 -1.786 9.581 -2.049 1.00 43.10 H new ATOM 0 HB2 ASP A 33 -0.065 7.571 -1.764 1.00 20.20 H new ATOM 0 HB3 ASP A 33 1.133 8.844 -1.885 1.00 20.20 H new ATOM 541 N ILE A 34 0.603 10.827 -3.910 1.00 71.25 N ATOM 542 CA ILE A 34 1.252 12.066 -4.320 1.00 14.34 C ATOM 543 C ILE A 34 0.775 12.507 -5.700 1.00 21.44 C ATOM 544 O ILE A 34 1.093 11.877 -6.709 1.00 44.32 O ATOM 545 CB ILE A 34 2.784 11.919 -4.341 1.00 5.11 C ATOM 546 CG1 ILE A 34 3.292 11.446 -2.977 1.00 62.24 C ATOM 547 CG2 ILE A 34 3.438 13.238 -4.727 1.00 31.31 C ATOM 548 CD1 ILE A 34 3.607 9.967 -2.930 1.00 31.01 C ATOM 0 H ILE A 34 0.836 10.018 -4.486 1.00 71.25 H new ATOM 0 HA ILE A 34 0.978 12.823 -3.585 1.00 14.34 H new ATOM 0 HB ILE A 34 3.052 11.171 -5.087 1.00 5.11 H new ATOM 0 HG12 ILE A 34 4.189 12.009 -2.717 1.00 62.24 H new ATOM 0 HG13 ILE A 34 2.542 11.674 -2.220 1.00 62.24 H new ATOM 0 HG21 ILE A 34 4.521 13.118 -4.737 1.00 31.31 H new ATOM 0 HG22 ILE A 34 3.097 13.537 -5.718 1.00 31.31 H new ATOM 0 HG23 ILE A 34 3.165 14.005 -4.002 1.00 31.31 H new ATOM 0 HD11 ILE A 34 3.962 9.702 -1.934 1.00 31.01 H new ATOM 0 HD12 ILE A 34 2.707 9.396 -3.159 1.00 31.01 H new ATOM 0 HD13 ILE A 34 4.379 9.736 -3.664 1.00 31.01 H new ATOM 560 N THR A 35 0.011 13.594 -5.737 1.00 32.21 N ATOM 561 CA THR A 35 -0.509 14.120 -6.993 1.00 34.34 C ATOM 562 C THR A 35 0.295 15.328 -7.458 1.00 13.44 C ATOM 563 O THR A 35 0.169 16.421 -6.903 1.00 51.24 O ATOM 564 CB THR A 35 -1.991 14.522 -6.863 1.00 24.14 C ATOM 565 OG1 THR A 35 -2.147 15.485 -5.814 1.00 45.05 O ATOM 566 CG2 THR A 35 -2.858 13.306 -6.574 1.00 51.01 C ATOM 0 H THR A 35 -0.261 14.127 -4.911 1.00 32.21 H new ATOM 0 HA THR A 35 -0.420 13.323 -7.731 1.00 34.34 H new ATOM 0 HB THR A 35 -2.310 14.960 -7.809 1.00 24.14 H new ATOM 0 HG1 THR A 35 -1.403 16.122 -5.841 1.00 45.05 H new ATOM 0 HG21 THR A 35 -3.900 13.614 -6.486 1.00 51.01 H new ATOM 0 HG22 THR A 35 -2.760 12.587 -7.388 1.00 51.01 H new ATOM 0 HG23 THR A 35 -2.537 12.844 -5.641 1.00 51.01 H new ATOM 574 N LEU A 36 1.120 15.126 -8.478 1.00 45.54 N ATOM 575 CA LEU A 36 1.946 16.201 -9.019 1.00 55.22 C ATOM 576 C LEU A 36 1.555 16.515 -10.460 1.00 12.32 C ATOM 577 O LEU A 36 1.040 15.667 -11.189 1.00 24.35 O ATOM 578 CB LEU A 36 3.425 15.818 -8.952 1.00 11.21 C ATOM 579 CG LEU A 36 4.231 16.452 -7.818 1.00 45.20 C ATOM 580 CD1 LEU A 36 3.599 16.136 -6.472 1.00 0.24 C ATOM 581 CD2 LEU A 36 5.675 15.972 -7.857 1.00 50.21 C ATOM 0 H LEU A 36 1.236 14.228 -8.948 1.00 45.54 H new ATOM 0 HA LEU A 36 1.781 17.093 -8.414 1.00 55.22 H new ATOM 0 HB2 LEU A 36 3.495 14.734 -8.859 1.00 11.21 H new ATOM 0 HB3 LEU A 36 3.893 16.088 -9.899 1.00 11.21 H new ATOM 0 HG LEU A 36 4.224 17.533 -7.954 1.00 45.20 H new ATOM 0 HD11 LEU A 36 4.187 16.596 -5.677 1.00 0.24 H new ATOM 0 HD12 LEU A 36 2.583 16.529 -6.446 1.00 0.24 H new ATOM 0 HD13 LEU A 36 3.574 15.056 -6.326 1.00 0.24 H new ATOM 0 HD21 LEU A 36 6.234 16.433 -7.043 1.00 50.21 H new ATOM 0 HD22 LEU A 36 5.701 14.888 -7.746 1.00 50.21 H new ATOM 0 HD23 LEU A 36 6.125 16.251 -8.810 1.00 50.21 H new ATOM 593 N PRO A 37 1.806 17.763 -10.883 1.00 11.24 N ATOM 594 CA PRO A 37 1.491 18.217 -12.240 1.00 51.53 C ATOM 595 C PRO A 37 2.392 17.576 -13.290 1.00 33.31 C ATOM 596 O PRO A 37 3.611 17.532 -13.131 1.00 1.51 O ATOM 597 CB PRO A 37 1.737 19.727 -12.175 1.00 72.13 C ATOM 598 CG PRO A 37 2.723 19.903 -11.073 1.00 30.04 C ATOM 599 CD PRO A 37 2.417 18.827 -10.068 1.00 22.21 C ATOM 0 HA PRO A 37 0.476 17.948 -12.534 1.00 51.53 H new ATOM 0 HB2 PRO A 37 2.127 20.105 -13.120 1.00 72.13 H new ATOM 0 HB3 PRO A 37 0.814 20.270 -11.971 1.00 72.13 H new ATOM 0 HG2 PRO A 37 3.744 19.811 -11.444 1.00 30.04 H new ATOM 0 HG3 PRO A 37 2.635 20.893 -10.625 1.00 30.04 H new ATOM 0 HD2 PRO A 37 3.319 18.479 -9.564 1.00 22.21 H new ATOM 0 HD3 PRO A 37 1.736 19.182 -9.294 1.00 22.21 H new ATOM 607 N GLU A 38 1.783 17.079 -14.362 1.00 53.02 N ATOM 608 CA GLU A 38 2.532 16.439 -15.437 1.00 54.34 C ATOM 609 C GLU A 38 1.619 16.112 -16.616 1.00 42.21 C ATOM 610 O GLU A 38 1.696 16.744 -17.669 1.00 24.20 O ATOM 611 CB GLU A 38 3.205 15.163 -14.930 1.00 63.52 C ATOM 612 CG GLU A 38 4.068 14.474 -15.974 1.00 71.52 C ATOM 613 CD GLU A 38 5.294 15.285 -16.346 1.00 53.01 C ATOM 614 OE1 GLU A 38 5.288 15.903 -17.431 1.00 41.42 O ATOM 615 OE2 GLU A 38 6.258 15.302 -15.553 1.00 31.30 O ATOM 0 H GLU A 38 0.774 17.107 -14.509 1.00 53.02 H new ATOM 0 HA GLU A 38 3.299 17.135 -15.776 1.00 54.34 H new ATOM 0 HB2 GLU A 38 3.821 15.407 -14.065 1.00 63.52 H new ATOM 0 HB3 GLU A 38 2.437 14.468 -14.589 1.00 63.52 H new ATOM 0 HG2 GLU A 38 4.382 13.501 -15.596 1.00 71.52 H new ATOM 0 HG3 GLU A 38 3.473 14.291 -16.869 1.00 71.52 H new ATOM 622 N GLY A 39 0.755 15.119 -16.430 1.00 72.02 N ATOM 623 CA GLY A 39 -0.160 14.724 -17.486 1.00 5.03 C ATOM 624 C GLY A 39 -0.225 13.220 -17.663 1.00 53.11 C ATOM 625 O GLY A 39 -1.014 12.716 -18.463 1.00 10.52 O ATOM 0 H GLY A 39 0.672 14.581 -15.567 1.00 72.02 H new ATOM 0 HA2 GLY A 39 -1.156 15.104 -17.260 1.00 5.03 H new ATOM 0 HA3 GLY A 39 0.152 15.184 -18.424 1.00 5.03 H new ATOM 629 N SER A 40 0.607 12.501 -16.917 1.00 34.34 N ATOM 630 CA SER A 40 0.644 11.045 -16.999 1.00 54.32 C ATOM 631 C SER A 40 0.712 10.424 -15.608 1.00 24.24 C ATOM 632 O SER A 40 1.747 10.478 -14.942 1.00 73.41 O ATOM 633 CB SER A 40 1.843 10.591 -17.833 1.00 3.01 C ATOM 634 OG SER A 40 3.009 11.318 -17.487 1.00 43.21 O ATOM 0 H SER A 40 1.265 12.903 -16.249 1.00 34.34 H new ATOM 0 HA SER A 40 -0.273 10.709 -17.482 1.00 54.32 H new ATOM 0 HB2 SER A 40 2.015 9.526 -17.678 1.00 3.01 H new ATOM 0 HB3 SER A 40 1.626 10.728 -18.892 1.00 3.01 H new ATOM 0 HG SER A 40 3.102 11.342 -16.512 1.00 43.21 H new ATOM 640 N ASP A 41 -0.397 9.834 -15.175 1.00 4.44 N ATOM 641 CA ASP A 41 -0.464 9.201 -13.863 1.00 4.03 C ATOM 642 C ASP A 41 -0.427 7.681 -13.990 1.00 42.34 C ATOM 643 O ASP A 41 0.056 6.984 -13.098 1.00 12.33 O ATOM 644 CB ASP A 41 -1.734 9.633 -13.129 1.00 21.15 C ATOM 645 CG ASP A 41 -1.629 11.037 -12.566 1.00 64.12 C ATOM 646 OD1 ASP A 41 -0.762 11.802 -13.039 1.00 1.25 O ATOM 647 OD2 ASP A 41 -2.414 11.371 -11.654 1.00 64.33 O ATOM 0 H ASP A 41 -1.262 9.781 -15.713 1.00 4.44 H new ATOM 0 HA ASP A 41 0.405 9.521 -13.288 1.00 4.03 H new ATOM 0 HB2 ASP A 41 -2.581 9.582 -13.813 1.00 21.15 H new ATOM 0 HB3 ASP A 41 -1.937 8.934 -12.318 1.00 21.15 H new ATOM 652 N VAL A 42 -0.941 7.174 -15.106 1.00 60.41 N ATOM 653 CA VAL A 42 -0.967 5.737 -15.351 1.00 71.40 C ATOM 654 C VAL A 42 -0.055 5.361 -16.513 1.00 70.53 C ATOM 655 O VAL A 42 -0.014 6.051 -17.532 1.00 34.41 O ATOM 656 CB VAL A 42 -2.395 5.245 -15.653 1.00 60.43 C ATOM 657 CG1 VAL A 42 -2.394 3.753 -15.952 1.00 10.10 C ATOM 658 CG2 VAL A 42 -3.325 5.564 -14.492 1.00 61.45 C ATOM 0 H VAL A 42 -1.345 7.737 -15.855 1.00 60.41 H new ATOM 0 HA VAL A 42 -0.609 5.254 -14.442 1.00 71.40 H new ATOM 0 HB VAL A 42 -2.762 5.768 -16.536 1.00 60.43 H new ATOM 0 HG11 VAL A 42 -3.411 3.424 -16.163 1.00 10.10 H new ATOM 0 HG12 VAL A 42 -1.762 3.556 -16.818 1.00 10.10 H new ATOM 0 HG13 VAL A 42 -2.008 3.209 -15.090 1.00 10.10 H new ATOM 0 HG21 VAL A 42 -4.330 5.209 -14.723 1.00 61.45 H new ATOM 0 HG22 VAL A 42 -2.964 5.070 -13.590 1.00 61.45 H new ATOM 0 HG23 VAL A 42 -3.349 6.642 -14.330 1.00 61.45 H new ATOM 668 N TRP A 43 0.675 4.262 -16.354 1.00 14.41 N ATOM 669 CA TRP A 43 1.587 3.794 -17.391 1.00 73.21 C ATOM 670 C TRP A 43 1.173 2.416 -17.898 1.00 4.43 C ATOM 671 O TRP A 43 1.382 1.408 -17.223 1.00 61.23 O ATOM 672 CB TRP A 43 3.019 3.745 -16.856 1.00 13.42 C ATOM 673 CG TRP A 43 4.036 4.252 -17.833 1.00 73.14 C ATOM 674 CD1 TRP A 43 4.598 3.556 -18.865 1.00 43.11 C ATOM 675 CD2 TRP A 43 4.612 5.562 -17.869 1.00 53.12 C ATOM 676 NE1 TRP A 43 5.490 4.355 -19.540 1.00 74.11 N ATOM 677 CE2 TRP A 43 5.515 5.591 -18.949 1.00 63.54 C ATOM 678 CE3 TRP A 43 4.451 6.715 -17.095 1.00 73.54 C ATOM 679 CZ2 TRP A 43 6.254 6.726 -19.272 1.00 20.21 C ATOM 680 CZ3 TRP A 43 5.185 7.840 -17.417 1.00 12.45 C ATOM 681 CH2 TRP A 43 6.077 7.840 -18.497 1.00 74.13 C ATOM 0 H TRP A 43 0.653 3.679 -15.517 1.00 14.41 H new ATOM 0 HA TRP A 43 1.542 4.496 -18.224 1.00 73.21 H new ATOM 0 HB2 TRP A 43 3.078 4.336 -15.942 1.00 13.42 H new ATOM 0 HB3 TRP A 43 3.264 2.717 -16.588 1.00 13.42 H new ATOM 0 HD1 TRP A 43 4.375 2.529 -19.114 1.00 43.11 H new ATOM 0 HE1 TRP A 43 6.043 4.074 -20.349 1.00 74.11 H new ATOM 0 HE3 TRP A 43 3.765 6.726 -16.261 1.00 73.54 H new ATOM 0 HZ2 TRP A 43 6.942 6.727 -20.104 1.00 20.21 H new ATOM 0 HZ3 TRP A 43 5.069 8.736 -16.825 1.00 12.45 H new ATOM 0 HH2 TRP A 43 6.636 8.736 -18.722 1.00 74.13 H new ATOM 692 N VAL A 44 0.586 2.381 -19.090 1.00 22.43 N ATOM 693 CA VAL A 44 0.145 1.126 -19.687 1.00 71.11 C ATOM 694 C VAL A 44 1.182 0.589 -20.667 1.00 22.23 C ATOM 695 O VAL A 44 1.476 1.219 -21.683 1.00 72.03 O ATOM 696 CB VAL A 44 -1.199 1.296 -20.421 1.00 64.21 C ATOM 697 CG1 VAL A 44 -1.660 -0.031 -21.004 1.00 33.21 C ATOM 698 CG2 VAL A 44 -2.249 1.870 -19.482 1.00 71.44 C ATOM 0 H VAL A 44 0.405 3.207 -19.661 1.00 22.43 H new ATOM 0 HA VAL A 44 0.018 0.415 -18.871 1.00 71.11 H new ATOM 0 HB VAL A 44 -1.059 1.997 -21.244 1.00 64.21 H new ATOM 0 HG11 VAL A 44 -2.611 0.108 -21.519 1.00 33.21 H new ATOM 0 HG12 VAL A 44 -0.915 -0.396 -21.711 1.00 33.21 H new ATOM 0 HG13 VAL A 44 -1.785 -0.757 -20.201 1.00 33.21 H new ATOM 0 HG21 VAL A 44 -3.192 1.984 -20.017 1.00 71.44 H new ATOM 0 HG22 VAL A 44 -2.390 1.195 -18.637 1.00 71.44 H new ATOM 0 HG23 VAL A 44 -1.919 2.843 -19.118 1.00 71.44 H new ATOM 708 N CYS A 45 1.734 -0.579 -20.354 1.00 54.35 N ATOM 709 CA CYS A 45 2.740 -1.202 -21.207 1.00 55.35 C ATOM 710 C CYS A 45 2.110 -2.261 -22.106 1.00 31.32 C ATOM 711 O CYS A 45 1.894 -3.398 -21.684 1.00 63.33 O ATOM 712 CB CYS A 45 3.843 -1.829 -20.355 1.00 5.11 C ATOM 713 SG CYS A 45 5.093 -2.724 -21.307 1.00 71.22 S ATOM 0 H CYS A 45 1.502 -1.113 -19.516 1.00 54.35 H new ATOM 0 HA CYS A 45 3.175 -0.428 -21.839 1.00 55.35 H new ATOM 0 HB2 CYS A 45 4.333 -1.044 -19.780 1.00 5.11 H new ATOM 0 HB3 CYS A 45 3.389 -2.513 -19.638 1.00 5.11 H new ATOM 0 HG CYS A 45 5.984 -3.216 -20.498 1.00 71.22 H new ATOM 719 N CYS A 46 1.816 -1.881 -23.344 1.00 41.31 N ATOM 720 CA CYS A 46 1.208 -2.798 -24.302 1.00 4.41 C ATOM 721 C CYS A 46 2.226 -3.822 -24.795 1.00 54.51 C ATOM 722 O CYS A 46 3.413 -3.733 -24.482 1.00 25.35 O ATOM 723 CB CYS A 46 0.632 -2.022 -25.487 1.00 51.31 C ATOM 724 SG CYS A 46 -0.714 -0.896 -25.048 1.00 63.55 S ATOM 0 H CYS A 46 1.989 -0.944 -23.708 1.00 41.31 H new ATOM 0 HA CYS A 46 0.400 -3.329 -23.798 1.00 4.41 H new ATOM 0 HB2 CYS A 46 1.432 -1.449 -25.956 1.00 51.31 H new ATOM 0 HB3 CYS A 46 0.270 -2.732 -26.231 1.00 51.31 H new ATOM 0 HG CYS A 46 -1.133 -0.284 -26.115 1.00 63.55 H new ATOM 730 N LEU A 47 1.752 -4.793 -25.567 1.00 61.40 N ATOM 731 CA LEU A 47 2.620 -5.836 -26.103 1.00 30.41 C ATOM 732 C LEU A 47 3.600 -5.260 -27.120 1.00 73.11 C ATOM 733 O LEU A 47 3.377 -4.197 -27.699 1.00 44.33 O ATOM 734 CB LEU A 47 1.783 -6.940 -26.752 1.00 41.14 C ATOM 735 CG LEU A 47 1.560 -6.814 -28.260 1.00 24.11 C ATOM 736 CD1 LEU A 47 0.738 -7.984 -28.777 1.00 61.15 C ATOM 737 CD2 LEU A 47 0.879 -5.494 -28.590 1.00 44.12 C ATOM 0 H LEU A 47 0.772 -4.880 -25.836 1.00 61.40 H new ATOM 0 HA LEU A 47 3.191 -6.260 -25.277 1.00 30.41 H new ATOM 0 HB2 LEU A 47 2.265 -7.897 -26.555 1.00 41.14 H new ATOM 0 HB3 LEU A 47 0.810 -6.966 -26.262 1.00 41.14 H new ATOM 0 HG LEU A 47 2.531 -6.832 -28.755 1.00 24.11 H new ATOM 0 HD11 LEU A 47 0.589 -7.878 -29.852 1.00 61.15 H new ATOM 0 HD12 LEU A 47 1.265 -8.916 -28.574 1.00 61.15 H new ATOM 0 HD13 LEU A 47 -0.230 -7.998 -28.276 1.00 61.15 H new ATOM 0 HD21 LEU A 47 0.728 -5.422 -29.667 1.00 44.12 H new ATOM 0 HD22 LEU A 47 -0.086 -5.446 -28.085 1.00 44.12 H new ATOM 0 HD23 LEU A 47 1.506 -4.668 -28.255 1.00 44.12 H new ATOM 749 N PRO A 48 4.710 -5.978 -27.345 1.00 71.34 N ATOM 750 CA PRO A 48 5.745 -5.559 -28.295 1.00 74.24 C ATOM 751 C PRO A 48 5.274 -5.650 -29.743 1.00 31.41 C ATOM 752 O PRO A 48 5.110 -6.744 -30.285 1.00 1.25 O ATOM 753 CB PRO A 48 6.883 -6.550 -28.040 1.00 20.01 C ATOM 754 CG PRO A 48 6.215 -7.759 -27.483 1.00 32.25 C ATOM 755 CD PRO A 48 5.040 -7.255 -26.691 1.00 21.24 C ATOM 0 HA PRO A 48 6.030 -4.516 -28.154 1.00 74.24 H new ATOM 0 HB2 PRO A 48 7.419 -6.782 -28.960 1.00 20.01 H new ATOM 0 HB3 PRO A 48 7.613 -6.143 -27.340 1.00 20.01 H new ATOM 0 HG2 PRO A 48 5.890 -8.428 -28.280 1.00 32.25 H new ATOM 0 HG3 PRO A 48 6.898 -8.326 -26.850 1.00 32.25 H new ATOM 0 HD2 PRO A 48 4.203 -7.952 -26.726 1.00 21.24 H new ATOM 0 HD3 PRO A 48 5.294 -7.114 -25.640 1.00 21.24 H new ATOM 763 N ARG A 49 5.058 -4.495 -30.364 1.00 63.41 N ATOM 764 CA ARG A 49 4.606 -4.446 -31.749 1.00 54.31 C ATOM 765 C ARG A 49 4.933 -3.096 -32.380 1.00 44.50 C ATOM 766 O ARG A 49 5.230 -3.012 -33.572 1.00 54.30 O ATOM 767 CB ARG A 49 3.100 -4.704 -31.825 1.00 73.13 C ATOM 768 CG ARG A 49 2.257 -3.558 -31.289 1.00 62.31 C ATOM 769 CD ARG A 49 1.823 -2.618 -32.402 1.00 54.13 C ATOM 770 NE ARG A 49 0.596 -3.070 -33.053 1.00 33.11 N ATOM 771 CZ ARG A 49 0.135 -2.559 -34.189 1.00 13.52 C ATOM 772 NH1 ARG A 49 0.795 -1.583 -34.797 1.00 5.02 N ATOM 773 NH2 ARG A 49 -0.989 -3.023 -34.719 1.00 74.21 N ATOM 0 H ARG A 49 5.189 -3.581 -29.930 1.00 63.41 H new ATOM 0 HA ARG A 49 5.130 -5.224 -32.304 1.00 54.31 H new ATOM 0 HB2 ARG A 49 2.824 -4.892 -32.863 1.00 73.13 H new ATOM 0 HB3 ARG A 49 2.866 -5.609 -31.264 1.00 73.13 H new ATOM 0 HG2 ARG A 49 1.377 -3.957 -30.785 1.00 62.31 H new ATOM 0 HG3 ARG A 49 2.827 -3.003 -30.544 1.00 62.31 H new ATOM 0 HD2 ARG A 49 1.670 -1.619 -31.994 1.00 54.13 H new ATOM 0 HD3 ARG A 49 2.619 -2.541 -33.143 1.00 54.13 H new ATOM 0 HE ARG A 49 0.064 -3.819 -32.611 1.00 33.11 H new ATOM 0 HH11 ARG A 49 1.659 -1.223 -34.392 1.00 5.02 H new ATOM 0 HH12 ARG A 49 0.439 -1.193 -35.669 1.00 5.02 H new ATOM 0 HH21 ARG A 49 -1.500 -3.773 -34.254 1.00 74.21 H new ATOM 0 HH22 ARG A 49 -1.342 -2.630 -35.591 1.00 74.21 H new ATOM 787 N ASP A 50 4.878 -2.042 -31.573 1.00 34.13 N ATOM 788 CA ASP A 50 5.169 -0.696 -32.051 1.00 51.34 C ATOM 789 C ASP A 50 6.476 -0.179 -31.459 1.00 23.34 C ATOM 790 O ASP A 50 6.773 1.013 -31.529 1.00 41.23 O ATOM 791 CB ASP A 50 4.023 0.254 -31.697 1.00 25.34 C ATOM 792 CG ASP A 50 3.528 1.037 -32.896 1.00 42.14 C ATOM 793 OD1 ASP A 50 2.872 0.432 -33.771 1.00 5.43 O ATOM 794 OD2 ASP A 50 3.795 2.255 -32.961 1.00 5.04 O ATOM 0 H ASP A 50 4.634 -2.094 -30.584 1.00 34.13 H new ATOM 0 HA ASP A 50 5.274 -0.738 -33.135 1.00 51.34 H new ATOM 0 HB2 ASP A 50 3.197 -0.319 -31.275 1.00 25.34 H new ATOM 0 HB3 ASP A 50 4.356 0.948 -30.926 1.00 25.34 H new ATOM 799 N SER A 51 7.253 -1.085 -30.873 1.00 64.14 N ATOM 800 CA SER A 51 8.527 -0.720 -30.264 1.00 32.43 C ATOM 801 C SER A 51 8.307 0.088 -28.989 1.00 31.14 C ATOM 802 O SER A 51 8.670 1.262 -28.914 1.00 3.55 O ATOM 803 CB SER A 51 9.377 0.083 -31.250 1.00 21.21 C ATOM 804 OG SER A 51 10.758 -0.056 -30.963 1.00 50.33 O ATOM 0 H SER A 51 7.023 -2.076 -30.807 1.00 64.14 H new ATOM 0 HA SER A 51 9.054 -1.638 -30.006 1.00 32.43 H new ATOM 0 HB2 SER A 51 9.178 -0.256 -32.267 1.00 21.21 H new ATOM 0 HB3 SER A 51 9.097 1.135 -31.204 1.00 21.21 H new ATOM 0 HG SER A 51 11.280 0.465 -31.608 1.00 50.33 H new ATOM 810 N LEU A 52 7.710 -0.549 -27.988 1.00 34.33 N ATOM 811 CA LEU A 52 7.440 0.109 -26.714 1.00 2.00 C ATOM 812 C LEU A 52 6.432 1.240 -26.888 1.00 75.11 C ATOM 813 O LEU A 52 6.799 2.415 -26.928 1.00 22.45 O ATOM 814 CB LEU A 52 8.738 0.655 -26.115 1.00 55.22 C ATOM 815 CG LEU A 52 9.312 -0.126 -24.933 1.00 62.10 C ATOM 816 CD1 LEU A 52 9.579 -1.570 -25.327 1.00 64.40 C ATOM 817 CD2 LEU A 52 10.586 0.535 -24.426 1.00 34.44 C ATOM 0 H LEU A 52 7.403 -1.521 -28.034 1.00 34.33 H new ATOM 0 HA LEU A 52 7.015 -0.630 -26.034 1.00 2.00 H new ATOM 0 HB2 LEU A 52 9.491 0.690 -26.902 1.00 55.22 H new ATOM 0 HB3 LEU A 52 8.563 1.682 -25.795 1.00 55.22 H new ATOM 0 HG LEU A 52 8.578 -0.121 -24.127 1.00 62.10 H new ATOM 0 HD11 LEU A 52 9.987 -2.111 -24.473 1.00 64.40 H new ATOM 0 HD12 LEU A 52 8.647 -2.040 -25.642 1.00 64.40 H new ATOM 0 HD13 LEU A 52 10.294 -1.597 -26.149 1.00 64.40 H new ATOM 0 HD21 LEU A 52 10.981 -0.034 -23.584 1.00 34.44 H new ATOM 0 HD22 LEU A 52 11.326 0.561 -25.226 1.00 34.44 H new ATOM 0 HD23 LEU A 52 10.365 1.553 -24.104 1.00 34.44 H new ATOM 829 N THR A 53 5.156 0.878 -26.990 1.00 42.21 N ATOM 830 CA THR A 53 4.094 1.862 -27.159 1.00 30.33 C ATOM 831 C THR A 53 3.473 2.236 -25.818 1.00 31.53 C ATOM 832 O THR A 53 2.253 2.364 -25.701 1.00 24.11 O ATOM 833 CB THR A 53 2.989 1.340 -28.096 1.00 34.42 C ATOM 834 OG1 THR A 53 3.482 0.241 -28.871 1.00 12.31 O ATOM 835 CG2 THR A 53 2.500 2.442 -29.023 1.00 12.21 C ATOM 0 H THR A 53 4.834 -0.089 -26.958 1.00 42.21 H new ATOM 0 HA THR A 53 4.550 2.746 -27.604 1.00 30.33 H new ATOM 0 HB THR A 53 2.152 1.005 -27.483 1.00 34.42 H new ATOM 0 HG1 THR A 53 2.744 -0.370 -29.079 1.00 12.31 H new ATOM 0 HG21 THR A 53 1.720 2.049 -29.675 1.00 12.21 H new ATOM 0 HG22 THR A 53 2.098 3.264 -28.431 1.00 12.21 H new ATOM 0 HG23 THR A 53 3.331 2.804 -29.628 1.00 12.21 H new ATOM 843 N LEU A 54 4.318 2.410 -24.808 1.00 20.23 N ATOM 844 CA LEU A 54 3.852 2.770 -23.473 1.00 54.33 C ATOM 845 C LEU A 54 2.960 4.007 -23.524 1.00 3.13 C ATOM 846 O LEU A 54 3.375 5.065 -23.998 1.00 22.34 O ATOM 847 CB LEU A 54 5.042 3.023 -22.547 1.00 0.05 C ATOM 848 CG LEU A 54 6.111 1.931 -22.514 1.00 64.53 C ATOM 849 CD1 LEU A 54 7.502 2.542 -22.593 1.00 33.10 C ATOM 850 CD2 LEU A 54 5.970 1.083 -21.259 1.00 31.43 C ATOM 0 H LEU A 54 5.330 2.308 -24.888 1.00 20.23 H new ATOM 0 HA LEU A 54 3.267 1.938 -23.082 1.00 54.33 H new ATOM 0 HB2 LEU A 54 5.516 3.958 -22.845 1.00 0.05 H new ATOM 0 HB3 LEU A 54 4.665 3.165 -21.534 1.00 0.05 H new ATOM 0 HG LEU A 54 5.970 1.286 -23.381 1.00 64.53 H new ATOM 0 HD11 LEU A 54 8.250 1.749 -22.568 1.00 33.10 H new ATOM 0 HD12 LEU A 54 7.600 3.104 -23.522 1.00 33.10 H new ATOM 0 HD13 LEU A 54 7.654 3.211 -21.746 1.00 33.10 H new ATOM 0 HD21 LEU A 54 6.739 0.311 -21.253 1.00 31.43 H new ATOM 0 HD22 LEU A 54 6.083 1.715 -20.378 1.00 31.43 H new ATOM 0 HD23 LEU A 54 4.986 0.614 -21.245 1.00 31.43 H new ATOM 862 N SER A 55 1.734 3.867 -23.030 1.00 1.00 N ATOM 863 CA SER A 55 0.783 4.972 -23.020 1.00 42.51 C ATOM 864 C SER A 55 0.701 5.606 -21.634 1.00 74.44 C ATOM 865 O SER A 55 0.376 4.938 -20.653 1.00 71.32 O ATOM 866 CB SER A 55 -0.601 4.486 -23.454 1.00 42.34 C ATOM 867 OG SER A 55 -1.009 5.116 -24.657 1.00 5.04 O ATOM 0 H SER A 55 1.376 2.999 -22.631 1.00 1.00 H new ATOM 0 HA SER A 55 1.133 5.726 -23.725 1.00 42.51 H new ATOM 0 HB2 SER A 55 -0.583 3.405 -23.594 1.00 42.34 H new ATOM 0 HB3 SER A 55 -1.326 4.694 -22.667 1.00 42.34 H new ATOM 0 HG SER A 55 -1.896 4.787 -24.914 1.00 5.04 H new ATOM 873 N ALA A 56 0.997 6.899 -21.563 1.00 43.12 N ATOM 874 CA ALA A 56 0.955 7.624 -20.299 1.00 41.14 C ATOM 875 C ALA A 56 -0.135 8.690 -20.314 1.00 40.44 C ATOM 876 O ALA A 56 -0.160 9.554 -21.191 1.00 70.51 O ATOM 877 CB ALA A 56 2.309 8.254 -20.007 1.00 53.41 C ATOM 0 H ALA A 56 1.269 7.466 -22.366 1.00 43.12 H new ATOM 0 HA ALA A 56 0.720 6.912 -19.508 1.00 41.14 H new ATOM 0 HB1 ALA A 56 2.263 8.792 -19.060 1.00 53.41 H new ATOM 0 HB2 ALA A 56 3.068 7.474 -19.945 1.00 53.41 H new ATOM 0 HB3 ALA A 56 2.567 8.948 -20.807 1.00 53.41 H new ATOM 883 N ALA A 57 -1.035 8.624 -19.339 1.00 22.14 N ATOM 884 CA ALA A 57 -2.126 9.585 -19.239 1.00 74.43 C ATOM 885 C ALA A 57 -2.554 9.782 -17.789 1.00 4.32 C ATOM 886 O ALA A 57 -2.557 8.839 -16.999 1.00 4.30 O ATOM 887 CB ALA A 57 -3.308 9.129 -20.082 1.00 55.32 C ATOM 0 H ALA A 57 -1.030 7.914 -18.606 1.00 22.14 H new ATOM 0 HA ALA A 57 -1.770 10.543 -19.618 1.00 74.43 H new ATOM 0 HB1 ALA A 57 -4.116 9.856 -19.999 1.00 55.32 H new ATOM 0 HB2 ALA A 57 -3.001 9.046 -21.125 1.00 55.32 H new ATOM 0 HB3 ALA A 57 -3.655 8.158 -19.728 1.00 55.32 H new ATOM 893 N ASN A 58 -2.913 11.015 -17.445 1.00 61.04 N ATOM 894 CA ASN A 58 -3.341 11.336 -16.089 1.00 2.33 C ATOM 895 C ASN A 58 -4.802 11.776 -16.069 1.00 24.33 C ATOM 896 O ASN A 58 -5.131 12.890 -16.476 1.00 31.24 O ATOM 897 CB ASN A 58 -2.457 12.438 -15.501 1.00 10.25 C ATOM 898 CG ASN A 58 -3.085 13.098 -14.288 1.00 73.31 C ATOM 899 OD1 ASN A 58 -3.830 12.465 -13.539 1.00 64.32 O ATOM 900 ND2 ASN A 58 -2.788 14.377 -14.090 1.00 24.54 N ATOM 0 H ASN A 58 -2.916 11.808 -18.087 1.00 61.04 H new ATOM 0 HA ASN A 58 -3.243 10.437 -15.481 1.00 2.33 H new ATOM 0 HB2 ASN A 58 -1.492 12.016 -15.222 1.00 10.25 H new ATOM 0 HB3 ASN A 58 -2.266 13.193 -16.264 1.00 10.25 H new ATOM 0 HD21 ASN A 58 -3.182 14.874 -13.291 1.00 24.54 H new ATOM 0 HD22 ASN A 58 -2.166 14.862 -14.737 1.00 24.54 H new ATOM 907 N SER A 59 -5.673 10.893 -15.592 1.00 31.41 N ATOM 908 CA SER A 59 -7.099 11.188 -15.521 1.00 74.55 C ATOM 909 C SER A 59 -7.631 11.626 -16.882 1.00 53.25 C ATOM 910 O SER A 59 -8.556 12.433 -16.968 1.00 13.21 O ATOM 911 CB SER A 59 -7.366 12.278 -14.482 1.00 25.33 C ATOM 912 OG SER A 59 -7.309 11.753 -13.167 1.00 22.04 O ATOM 0 H SER A 59 -5.416 9.967 -15.249 1.00 31.41 H new ATOM 0 HA SER A 59 -7.618 10.277 -15.222 1.00 74.55 H new ATOM 0 HB2 SER A 59 -6.632 13.076 -14.591 1.00 25.33 H new ATOM 0 HB3 SER A 59 -8.346 12.721 -14.658 1.00 25.33 H new ATOM 0 HG SER A 59 -7.481 12.469 -12.521 1.00 22.04 H new ATOM 918 N GLU A 60 -7.039 11.088 -17.944 1.00 2.11 N ATOM 919 CA GLU A 60 -7.452 11.425 -19.301 1.00 72.52 C ATOM 920 C GLU A 60 -7.976 10.192 -20.032 1.00 31.52 C ATOM 921 O GLU A 60 -8.811 10.297 -20.930 1.00 52.32 O ATOM 922 CB GLU A 60 -6.283 12.033 -20.078 1.00 61.12 C ATOM 923 CG GLU A 60 -6.145 13.535 -19.893 1.00 61.33 C ATOM 924 CD GLU A 60 -7.090 14.321 -20.781 1.00 43.13 C ATOM 925 OE1 GLU A 60 -8.078 14.872 -20.253 1.00 54.13 O ATOM 926 OE2 GLU A 60 -6.841 14.385 -22.003 1.00 51.32 O ATOM 0 H GLU A 60 -6.272 10.417 -17.891 1.00 2.11 H new ATOM 0 HA GLU A 60 -8.256 12.158 -19.237 1.00 72.52 H new ATOM 0 HB2 GLU A 60 -5.358 11.550 -19.763 1.00 61.12 H new ATOM 0 HB3 GLU A 60 -6.411 11.816 -21.139 1.00 61.12 H new ATOM 0 HG2 GLU A 60 -6.337 13.788 -18.850 1.00 61.33 H new ATOM 0 HG3 GLU A 60 -5.118 13.831 -20.109 1.00 61.33 H new ATOM 933 N ASP A 61 -7.479 9.024 -19.640 1.00 60.41 N ATOM 934 CA ASP A 61 -7.896 7.770 -20.257 1.00 33.44 C ATOM 935 C ASP A 61 -9.108 7.187 -19.536 1.00 73.13 C ATOM 936 O ASP A 61 -8.997 6.696 -18.413 1.00 54.14 O ATOM 937 CB ASP A 61 -6.746 6.762 -20.242 1.00 62.23 C ATOM 938 CG ASP A 61 -7.064 5.509 -21.035 1.00 44.20 C ATOM 939 OD1 ASP A 61 -6.462 5.320 -22.113 1.00 41.32 O ATOM 940 OD2 ASP A 61 -7.913 4.717 -20.577 1.00 13.31 O ATOM 0 H ASP A 61 -6.787 8.919 -18.898 1.00 60.41 H new ATOM 0 HA ASP A 61 -8.174 7.977 -21.290 1.00 33.44 H new ATOM 0 HB2 ASP A 61 -5.851 7.230 -20.651 1.00 62.23 H new ATOM 0 HB3 ASP A 61 -6.520 6.489 -19.211 1.00 62.23 H new ATOM 945 N GLU A 62 -10.264 7.246 -20.190 1.00 51.23 N ATOM 946 CA GLU A 62 -11.497 6.726 -19.610 1.00 63.25 C ATOM 947 C GLU A 62 -12.422 6.182 -20.696 1.00 4.42 C ATOM 948 O GLU A 62 -13.627 6.046 -20.489 1.00 4.02 O ATOM 949 CB GLU A 62 -12.213 7.819 -18.815 1.00 33.23 C ATOM 950 CG GLU A 62 -12.194 7.590 -17.313 1.00 33.33 C ATOM 951 CD GLU A 62 -12.392 8.870 -16.525 1.00 2.22 C ATOM 952 OE1 GLU A 62 -11.749 9.884 -16.871 1.00 34.14 O ATOM 953 OE2 GLU A 62 -13.188 8.859 -15.563 1.00 22.21 O ATOM 0 H GLU A 62 -10.372 7.648 -21.121 1.00 51.23 H new ATOM 0 HA GLU A 62 -11.236 5.909 -18.937 1.00 63.25 H new ATOM 0 HB2 GLU A 62 -11.747 8.780 -19.034 1.00 33.23 H new ATOM 0 HB3 GLU A 62 -13.248 7.883 -19.151 1.00 33.23 H new ATOM 0 HG2 GLU A 62 -12.977 6.880 -17.048 1.00 33.33 H new ATOM 0 HG3 GLU A 62 -11.244 7.137 -17.030 1.00 33.33 H new ATOM 960 N GLY A 63 -11.847 5.874 -21.855 1.00 14.31 N ATOM 961 CA GLY A 63 -12.634 5.350 -22.956 1.00 41.22 C ATOM 962 C GLY A 63 -13.186 3.968 -22.668 1.00 44.05 C ATOM 963 O GLY A 63 -14.222 3.830 -22.019 1.00 24.11 O ATOM 0 H GLY A 63 -10.851 5.978 -22.051 1.00 14.31 H new ATOM 0 HA2 GLY A 63 -13.459 6.031 -23.165 1.00 41.22 H new ATOM 0 HA3 GLY A 63 -12.017 5.312 -23.854 1.00 41.22 H new ATOM 967 N GLN A 64 -12.493 2.943 -23.155 1.00 2.15 N ATOM 968 CA GLN A 64 -12.922 1.565 -22.947 1.00 62.05 C ATOM 969 C GLN A 64 -11.787 0.722 -22.376 1.00 62.42 C ATOM 970 O GLN A 64 -10.697 0.663 -22.946 1.00 3.32 O ATOM 971 CB GLN A 64 -13.412 0.958 -24.263 1.00 62.02 C ATOM 972 CG GLN A 64 -14.891 1.188 -24.526 1.00 13.03 C ATOM 973 CD GLN A 64 -15.779 0.294 -23.684 1.00 34.55 C ATOM 974 OE1 GLN A 64 -15.301 -0.429 -22.809 1.00 32.32 O ATOM 975 NE2 GLN A 64 -17.081 0.338 -23.943 1.00 61.52 N ATOM 0 H GLN A 64 -11.633 3.041 -23.695 1.00 2.15 H new ATOM 0 HA GLN A 64 -13.742 1.570 -22.229 1.00 62.05 H new ATOM 0 HB2 GLN A 64 -12.835 1.381 -25.085 1.00 62.02 H new ATOM 0 HB3 GLN A 64 -13.216 -0.114 -24.254 1.00 62.02 H new ATOM 0 HG2 GLN A 64 -15.134 2.231 -24.323 1.00 13.03 H new ATOM 0 HG3 GLN A 64 -15.100 1.012 -25.581 1.00 13.03 H new ATOM 0 HE21 GLN A 64 -17.434 0.952 -24.677 1.00 61.52 H new ATOM 0 HE22 GLN A 64 -17.727 -0.242 -23.408 1.00 61.52 H new ATOM 984 N ILE A 65 -12.050 0.070 -21.248 1.00 50.43 N ATOM 985 CA ILE A 65 -11.051 -0.770 -20.601 1.00 24.11 C ATOM 986 C ILE A 65 -11.694 -1.995 -19.960 1.00 31.00 C ATOM 987 O ILE A 65 -12.798 -1.918 -19.420 1.00 61.03 O ATOM 988 CB ILE A 65 -10.271 0.009 -19.525 1.00 35.23 C ATOM 989 CG1 ILE A 65 -9.260 -0.907 -18.833 1.00 34.55 C ATOM 990 CG2 ILE A 65 -11.230 0.612 -18.509 1.00 33.30 C ATOM 991 CD1 ILE A 65 -7.951 -0.225 -18.506 1.00 2.43 C ATOM 0 H ILE A 65 -12.947 0.108 -20.764 1.00 50.43 H new ATOM 0 HA ILE A 65 -10.358 -1.091 -21.379 1.00 24.11 H new ATOM 0 HB ILE A 65 -9.726 0.820 -20.008 1.00 35.23 H new ATOM 0 HG12 ILE A 65 -9.700 -1.291 -17.913 1.00 34.55 H new ATOM 0 HG13 ILE A 65 -9.062 -1.766 -19.474 1.00 34.55 H new ATOM 0 HG21 ILE A 65 -10.664 1.159 -17.755 1.00 33.30 H new ATOM 0 HG22 ILE A 65 -11.915 1.293 -19.014 1.00 33.30 H new ATOM 0 HG23 ILE A 65 -11.799 -0.184 -18.029 1.00 33.30 H new ATOM 0 HD11 ILE A 65 -7.283 -0.934 -18.017 1.00 2.43 H new ATOM 0 HD12 ILE A 65 -7.488 0.134 -19.425 1.00 2.43 H new ATOM 0 HD13 ILE A 65 -8.136 0.617 -17.840 1.00 2.43 H new ATOM 1003 N ARG A 66 -10.996 -3.124 -20.022 1.00 22.12 N ATOM 1004 CA ARG A 66 -11.499 -4.366 -19.447 1.00 3.12 C ATOM 1005 C ARG A 66 -10.446 -5.017 -18.554 1.00 13.10 C ATOM 1006 O ARG A 66 -9.246 -4.885 -18.794 1.00 40.21 O ATOM 1007 CB ARG A 66 -11.913 -5.335 -20.555 1.00 63.25 C ATOM 1008 CG ARG A 66 -13.417 -5.423 -20.757 1.00 64.42 C ATOM 1009 CD ARG A 66 -14.083 -6.215 -19.643 1.00 3.35 C ATOM 1010 NE ARG A 66 -15.493 -6.473 -19.922 1.00 1.34 N ATOM 1011 CZ ARG A 66 -16.367 -6.854 -18.997 1.00 72.22 C ATOM 1012 NH1 ARG A 66 -15.978 -7.021 -17.741 1.00 12.33 N ATOM 1013 NH2 ARG A 66 -17.634 -7.069 -19.329 1.00 22.51 N ATOM 0 H ARG A 66 -10.081 -3.204 -20.465 1.00 22.12 H new ATOM 0 HA ARG A 66 -12.371 -4.128 -18.838 1.00 3.12 H new ATOM 0 HB2 ARG A 66 -11.447 -5.025 -21.490 1.00 63.25 H new ATOM 0 HB3 ARG A 66 -11.528 -6.327 -20.321 1.00 63.25 H new ATOM 0 HG2 ARG A 66 -13.840 -4.419 -20.794 1.00 64.42 H new ATOM 0 HG3 ARG A 66 -13.629 -5.894 -21.717 1.00 64.42 H new ATOM 0 HD2 ARG A 66 -13.561 -7.162 -19.510 1.00 3.35 H new ATOM 0 HD3 ARG A 66 -13.994 -5.667 -18.705 1.00 3.35 H new ATOM 0 HE ARG A 66 -15.825 -6.354 -20.879 1.00 1.34 H new ATOM 0 HH11 ARG A 66 -15.005 -6.857 -17.482 1.00 12.33 H new ATOM 0 HH12 ARG A 66 -16.652 -7.314 -17.033 1.00 12.33 H new ATOM 0 HH21 ARG A 66 -17.937 -6.942 -20.295 1.00 22.51 H new ATOM 0 HH22 ARG A 66 -18.305 -7.362 -18.618 1.00 22.51 H new ATOM 1027 N TYR A 67 -10.905 -5.719 -17.524 1.00 23.02 N ATOM 1028 CA TYR A 67 -10.003 -6.388 -16.593 1.00 73.13 C ATOM 1029 C TYR A 67 -9.647 -7.786 -17.090 1.00 1.00 C ATOM 1030 O TYR A 67 -10.525 -8.616 -17.327 1.00 21.14 O ATOM 1031 CB TYR A 67 -10.641 -6.475 -15.206 1.00 33.02 C ATOM 1032 CG TYR A 67 -10.913 -5.126 -14.579 1.00 21.33 C ATOM 1033 CD1 TYR A 67 -9.869 -4.286 -14.213 1.00 3.33 C ATOM 1034 CD2 TYR A 67 -12.213 -4.693 -14.351 1.00 51.22 C ATOM 1035 CE1 TYR A 67 -10.112 -3.053 -13.639 1.00 2.32 C ATOM 1036 CE2 TYR A 67 -12.466 -3.461 -13.779 1.00 64.02 C ATOM 1037 CZ TYR A 67 -11.412 -2.645 -13.425 1.00 2.24 C ATOM 1038 OH TYR A 67 -11.659 -1.418 -12.853 1.00 52.43 O ATOM 0 H TYR A 67 -11.895 -5.840 -17.312 1.00 23.02 H new ATOM 0 HA TYR A 67 -9.087 -5.801 -16.528 1.00 73.13 H new ATOM 0 HB2 TYR A 67 -11.578 -7.027 -15.280 1.00 33.02 H new ATOM 0 HB3 TYR A 67 -9.985 -7.046 -14.549 1.00 33.02 H new ATOM 0 HD1 TYR A 67 -8.850 -4.602 -14.380 1.00 3.33 H new ATOM 0 HD2 TYR A 67 -13.040 -5.330 -14.626 1.00 51.22 H new ATOM 0 HE1 TYR A 67 -9.289 -2.412 -13.359 1.00 2.32 H new ATOM 0 HE2 TYR A 67 -13.483 -3.139 -13.610 1.00 64.02 H new ATOM 0 HH TYR A 67 -12.626 -1.283 -12.773 1.00 52.43 H new ATOM 1048 N PHE A 68 -8.352 -8.039 -17.245 1.00 63.22 N ATOM 1049 CA PHE A 68 -7.877 -9.336 -17.714 1.00 0.11 C ATOM 1050 C PHE A 68 -7.168 -10.092 -16.595 1.00 22.55 C ATOM 1051 O PHE A 68 -6.464 -9.498 -15.777 1.00 30.23 O ATOM 1052 CB PHE A 68 -6.931 -9.157 -18.903 1.00 22.00 C ATOM 1053 CG PHE A 68 -6.553 -10.450 -19.568 1.00 53.44 C ATOM 1054 CD1 PHE A 68 -5.326 -11.042 -19.316 1.00 53.40 C ATOM 1055 CD2 PHE A 68 -7.425 -11.072 -20.447 1.00 34.43 C ATOM 1056 CE1 PHE A 68 -4.976 -12.231 -19.926 1.00 61.24 C ATOM 1057 CE2 PHE A 68 -7.081 -12.262 -21.060 1.00 22.24 C ATOM 1058 CZ PHE A 68 -5.854 -12.842 -20.800 1.00 51.32 C ATOM 0 H PHE A 68 -7.612 -7.363 -17.053 1.00 63.22 H new ATOM 0 HA PHE A 68 -8.742 -9.919 -18.031 1.00 0.11 H new ATOM 0 HB2 PHE A 68 -7.403 -8.504 -19.637 1.00 22.00 H new ATOM 0 HB3 PHE A 68 -6.026 -8.654 -18.564 1.00 22.00 H new ATOM 0 HD1 PHE A 68 -4.635 -10.568 -18.635 1.00 53.40 H new ATOM 0 HD2 PHE A 68 -8.384 -10.622 -20.655 1.00 34.43 H new ATOM 0 HE1 PHE A 68 -4.017 -12.682 -19.720 1.00 61.24 H new ATOM 0 HE2 PHE A 68 -7.770 -12.738 -21.741 1.00 22.24 H new ATOM 0 HZ PHE A 68 -5.582 -13.771 -21.279 1.00 51.32 H new ATOM 1068 N LEU A 69 -7.359 -11.407 -16.564 1.00 5.21 N ATOM 1069 CA LEU A 69 -6.738 -12.246 -15.545 1.00 71.40 C ATOM 1070 C LEU A 69 -7.124 -13.710 -15.736 1.00 52.30 C ATOM 1071 O LEU A 69 -6.278 -14.577 -15.953 1.00 30.34 O ATOM 1072 CB LEU A 69 -7.150 -11.777 -14.149 1.00 1.42 C ATOM 1073 CG LEU A 69 -6.046 -11.145 -13.300 1.00 63.22 C ATOM 1074 CD1 LEU A 69 -6.591 -9.970 -12.504 1.00 45.50 C ATOM 1075 CD2 LEU A 69 -5.429 -12.181 -12.371 1.00 40.32 C ATOM 0 H LEU A 69 -7.939 -11.915 -17.232 1.00 5.21 H new ATOM 0 HA LEU A 69 -5.656 -12.158 -15.647 1.00 71.40 H new ATOM 0 HB2 LEU A 69 -7.959 -11.054 -14.255 1.00 1.42 H new ATOM 0 HB3 LEU A 69 -7.555 -12.631 -13.606 1.00 1.42 H new ATOM 0 HG LEU A 69 -5.268 -10.775 -13.967 1.00 63.22 H new ATOM 0 HD11 LEU A 69 -5.791 -9.533 -11.906 1.00 45.50 H new ATOM 0 HD12 LEU A 69 -6.985 -9.218 -13.188 1.00 45.50 H new ATOM 0 HD13 LEU A 69 -7.389 -10.315 -11.846 1.00 45.50 H new ATOM 0 HD21 LEU A 69 -4.645 -11.714 -11.774 1.00 40.32 H new ATOM 0 HD22 LEU A 69 -6.198 -12.581 -11.710 1.00 40.32 H new ATOM 0 HD23 LEU A 69 -5.001 -12.991 -12.962 1.00 40.32 H new ATOM 1087 N PRO A 70 -8.433 -13.992 -15.657 1.00 11.25 N ATOM 1088 CA PRO A 70 -8.962 -15.349 -15.821 1.00 23.25 C ATOM 1089 C PRO A 70 -8.841 -15.849 -17.256 1.00 53.42 C ATOM 1090 O PRO A 70 -9.042 -17.032 -17.531 1.00 11.22 O ATOM 1091 CB PRO A 70 -10.434 -15.207 -15.426 1.00 3.33 C ATOM 1092 CG PRO A 70 -10.759 -13.776 -15.685 1.00 24.04 C ATOM 1093 CD PRO A 70 -9.498 -13.007 -15.401 1.00 21.21 C ATOM 0 HA PRO A 70 -8.414 -16.075 -15.220 1.00 23.25 H new ATOM 0 HB2 PRO A 70 -11.068 -15.870 -16.015 1.00 3.33 H new ATOM 0 HB3 PRO A 70 -10.590 -15.465 -14.378 1.00 3.33 H new ATOM 0 HG2 PRO A 70 -11.082 -13.629 -16.716 1.00 24.04 H new ATOM 0 HG3 PRO A 70 -11.574 -13.439 -15.045 1.00 24.04 H new ATOM 0 HD2 PRO A 70 -9.404 -12.136 -16.049 1.00 21.21 H new ATOM 0 HD3 PRO A 70 -9.471 -12.644 -14.374 1.00 21.21 H new ATOM 1101 N ASP A 71 -8.512 -14.940 -18.168 1.00 31.30 N ATOM 1102 CA ASP A 71 -8.363 -15.289 -19.576 1.00 73.30 C ATOM 1103 C ASP A 71 -9.592 -16.037 -20.083 1.00 55.14 C ATOM 1104 O ASP A 71 -9.486 -16.924 -20.930 1.00 23.51 O ATOM 1105 CB ASP A 71 -7.111 -16.143 -19.782 1.00 42.54 C ATOM 1106 CG ASP A 71 -6.015 -15.812 -18.788 1.00 70.31 C ATOM 1107 OD1 ASP A 71 -5.362 -16.753 -18.290 1.00 64.35 O ATOM 1108 OD2 ASP A 71 -5.810 -14.613 -18.508 1.00 53.22 O ATOM 0 H ASP A 71 -8.344 -13.956 -17.957 1.00 31.30 H new ATOM 0 HA ASP A 71 -8.261 -14.365 -20.145 1.00 73.30 H new ATOM 0 HB2 ASP A 71 -7.374 -17.197 -19.691 1.00 42.54 H new ATOM 0 HB3 ASP A 71 -6.736 -15.995 -20.795 1.00 42.54 H new ATOM 1113 N ARG A 72 -10.758 -15.673 -19.560 1.00 13.34 N ATOM 1114 CA ARG A 72 -12.007 -16.311 -19.958 1.00 14.52 C ATOM 1115 C ARG A 72 -13.105 -15.272 -20.170 1.00 2.34 C ATOM 1116 O ARG A 72 -14.290 -15.564 -20.009 1.00 22.51 O ATOM 1117 CB ARG A 72 -12.447 -17.324 -18.900 1.00 31.13 C ATOM 1118 CG ARG A 72 -11.691 -18.641 -18.967 1.00 34.22 C ATOM 1119 CD ARG A 72 -12.184 -19.620 -17.913 1.00 32.50 C ATOM 1120 NE ARG A 72 -11.707 -20.978 -18.162 1.00 30.23 N ATOM 1121 CZ ARG A 72 -12.246 -21.793 -19.061 1.00 70.34 C ATOM 1122 NH1 ARG A 72 -13.275 -21.390 -19.794 1.00 44.13 N ATOM 1123 NH2 ARG A 72 -11.756 -23.015 -19.230 1.00 3.22 N ATOM 0 H ARG A 72 -10.864 -14.939 -18.859 1.00 13.34 H new ATOM 0 HA ARG A 72 -11.836 -16.831 -20.900 1.00 14.52 H new ATOM 0 HB2 ARG A 72 -12.311 -16.886 -17.911 1.00 31.13 H new ATOM 0 HB3 ARG A 72 -13.513 -17.520 -19.018 1.00 31.13 H new ATOM 0 HG2 ARG A 72 -11.810 -19.080 -19.957 1.00 34.22 H new ATOM 0 HG3 ARG A 72 -10.626 -18.458 -18.826 1.00 34.22 H new ATOM 0 HD2 ARG A 72 -11.849 -19.293 -16.929 1.00 32.50 H new ATOM 0 HD3 ARG A 72 -13.274 -19.616 -17.896 1.00 32.50 H new ATOM 0 HE ARG A 72 -10.916 -21.319 -17.615 1.00 30.23 H new ATOM 0 HH11 ARG A 72 -13.655 -20.452 -19.668 1.00 44.13 H new ATOM 0 HH12 ARG A 72 -13.687 -22.018 -20.484 1.00 44.13 H new ATOM 0 HH21 ARG A 72 -10.964 -23.329 -18.669 1.00 3.22 H new ATOM 0 HH22 ARG A 72 -12.171 -23.640 -19.921 1.00 3.22 H new ATOM 1137 N ASP A 73 -12.702 -14.058 -20.530 1.00 60.45 N ATOM 1138 CA ASP A 73 -13.651 -12.976 -20.765 1.00 23.01 C ATOM 1139 C ASP A 73 -13.998 -12.869 -22.246 1.00 70.25 C ATOM 1140 O ASP A 73 -14.237 -11.777 -22.760 1.00 14.11 O ATOM 1141 CB ASP A 73 -13.077 -11.649 -20.266 1.00 24.10 C ATOM 1142 CG ASP A 73 -14.122 -10.553 -20.203 1.00 72.02 C ATOM 1143 OD1 ASP A 73 -13.740 -9.365 -20.243 1.00 43.33 O ATOM 1144 OD2 ASP A 73 -15.323 -10.884 -20.115 1.00 0.43 O ATOM 0 H ASP A 73 -11.725 -13.799 -20.665 1.00 60.45 H new ATOM 0 HA ASP A 73 -14.563 -13.200 -20.212 1.00 23.01 H new ATOM 0 HB2 ASP A 73 -12.646 -11.793 -19.275 1.00 24.10 H new ATOM 0 HB3 ASP A 73 -12.266 -11.337 -20.924 1.00 24.10 H new ATOM 1149 N GLU A 74 -14.022 -14.011 -22.927 1.00 52.23 N ATOM 1150 CA GLU A 74 -14.338 -14.044 -24.350 1.00 73.14 C ATOM 1151 C GLU A 74 -13.356 -13.190 -25.146 1.00 42.32 C ATOM 1152 O GLU A 74 -13.744 -12.473 -26.068 1.00 32.04 O ATOM 1153 CB GLU A 74 -15.768 -13.553 -24.590 1.00 22.53 C ATOM 1154 CG GLU A 74 -16.823 -14.385 -23.881 1.00 34.14 C ATOM 1155 CD GLU A 74 -18.105 -13.613 -23.633 1.00 61.20 C ATOM 1156 OE1 GLU A 74 -18.142 -12.820 -22.669 1.00 50.21 O ATOM 1157 OE2 GLU A 74 -19.070 -13.802 -24.402 1.00 72.42 O ATOM 0 H GLU A 74 -13.827 -14.924 -22.517 1.00 52.23 H new ATOM 0 HA GLU A 74 -14.254 -15.076 -24.690 1.00 73.14 H new ATOM 0 HB2 GLU A 74 -15.849 -12.518 -24.257 1.00 22.53 H new ATOM 0 HB3 GLU A 74 -15.971 -13.560 -25.661 1.00 22.53 H new ATOM 0 HG2 GLU A 74 -17.045 -15.269 -24.479 1.00 34.14 H new ATOM 0 HG3 GLU A 74 -16.425 -14.736 -22.929 1.00 34.14 H new ATOM 1164 N GLY A 75 -12.080 -13.271 -24.782 1.00 65.41 N ATOM 1165 CA GLY A 75 -11.061 -12.501 -25.471 1.00 2.33 C ATOM 1166 C GLY A 75 -9.760 -13.264 -25.623 1.00 31.12 C ATOM 1167 O GLY A 75 -9.088 -13.160 -26.648 1.00 71.14 O ATOM 0 H GLY A 75 -11.734 -13.856 -24.022 1.00 65.41 H new ATOM 0 HA2 GLY A 75 -11.429 -12.217 -26.457 1.00 2.33 H new ATOM 0 HA3 GLY A 75 -10.875 -11.578 -24.922 1.00 2.33 H new ATOM 1171 N MET A 76 -9.403 -14.032 -24.599 1.00 34.15 N ATOM 1172 CA MET A 76 -8.174 -14.816 -24.623 1.00 43.42 C ATOM 1173 C MET A 76 -8.079 -15.638 -25.904 1.00 43.04 C ATOM 1174 O MET A 76 -6.985 -15.900 -26.405 1.00 14.21 O ATOM 1175 CB MET A 76 -8.107 -15.738 -23.405 1.00 31.52 C ATOM 1176 CG MET A 76 -6.816 -16.535 -23.316 1.00 24.12 C ATOM 1177 SD MET A 76 -7.056 -18.170 -22.593 1.00 51.44 S ATOM 1178 CE MET A 76 -5.771 -19.100 -23.425 1.00 54.15 C ATOM 0 H MET A 76 -9.948 -14.128 -23.742 1.00 34.15 H new ATOM 0 HA MET A 76 -7.331 -14.125 -24.592 1.00 43.42 H new ATOM 0 HB2 MET A 76 -8.218 -15.140 -22.500 1.00 31.52 H new ATOM 0 HB3 MET A 76 -8.949 -16.429 -23.436 1.00 31.52 H new ATOM 0 HG2 MET A 76 -6.391 -16.642 -24.314 1.00 24.12 H new ATOM 0 HG3 MET A 76 -6.092 -15.981 -22.719 1.00 24.12 H new ATOM 0 HE1 MET A 76 -5.791 -20.135 -23.083 1.00 54.15 H new ATOM 0 HE2 MET A 76 -5.940 -19.071 -24.501 1.00 54.15 H new ATOM 0 HE3 MET A 76 -4.799 -18.661 -23.198 1.00 54.15 H new ATOM 1188 N MET A 77 -9.231 -16.042 -26.429 1.00 64.45 N ATOM 1189 CA MET A 77 -9.276 -16.835 -27.653 1.00 41.51 C ATOM 1190 C MET A 77 -8.651 -16.072 -28.817 1.00 73.45 C ATOM 1191 O MET A 77 -7.923 -16.646 -29.626 1.00 63.12 O ATOM 1192 CB MET A 77 -10.720 -17.209 -27.990 1.00 74.51 C ATOM 1193 CG MET A 77 -11.639 -16.009 -28.148 1.00 10.34 C ATOM 1194 SD MET A 77 -13.361 -16.480 -28.403 1.00 44.10 S ATOM 1195 CE MET A 77 -13.763 -17.173 -26.801 1.00 71.13 C ATOM 0 H MET A 77 -10.145 -15.834 -26.027 1.00 64.45 H new ATOM 0 HA MET A 77 -8.701 -17.746 -27.488 1.00 41.51 H new ATOM 0 HB2 MET A 77 -10.730 -17.788 -28.914 1.00 74.51 H new ATOM 0 HB3 MET A 77 -11.112 -17.855 -27.204 1.00 74.51 H new ATOM 0 HG2 MET A 77 -11.566 -15.381 -27.260 1.00 10.34 H new ATOM 0 HG3 MET A 77 -11.302 -15.407 -28.992 1.00 10.34 H new ATOM 0 HE1 MET A 77 -14.829 -17.052 -26.610 1.00 71.13 H new ATOM 0 HE2 MET A 77 -13.510 -18.233 -26.789 1.00 71.13 H new ATOM 0 HE3 MET A 77 -13.195 -16.656 -26.028 1.00 71.13 H new ATOM 1205 N GLU A 78 -8.942 -14.778 -28.896 1.00 12.53 N ATOM 1206 CA GLU A 78 -8.409 -13.939 -29.963 1.00 10.45 C ATOM 1207 C GLU A 78 -7.078 -13.315 -29.551 1.00 34.11 C ATOM 1208 O GLU A 78 -6.296 -12.883 -30.397 1.00 14.32 O ATOM 1209 CB GLU A 78 -9.409 -12.839 -30.325 1.00 74.12 C ATOM 1210 CG GLU A 78 -10.672 -13.360 -30.991 1.00 21.31 C ATOM 1211 CD GLU A 78 -11.935 -12.855 -30.322 1.00 54.43 C ATOM 1212 OE1 GLU A 78 -12.714 -12.141 -30.989 1.00 71.43 O ATOM 1213 OE2 GLU A 78 -12.146 -13.171 -29.133 1.00 25.31 O ATOM 0 H GLU A 78 -9.544 -14.288 -28.234 1.00 12.53 H new ATOM 0 HA GLU A 78 -8.241 -14.569 -30.836 1.00 10.45 H new ATOM 0 HB2 GLU A 78 -9.683 -12.296 -29.420 1.00 74.12 H new ATOM 0 HB3 GLU A 78 -8.925 -12.125 -30.991 1.00 74.12 H new ATOM 0 HG2 GLU A 78 -10.676 -13.060 -32.039 1.00 21.31 H new ATOM 0 HG3 GLU A 78 -10.666 -14.450 -30.971 1.00 21.31 H new ATOM 1220 N GLU A 79 -6.830 -13.273 -28.246 1.00 11.44 N ATOM 1221 CA GLU A 79 -5.595 -12.701 -27.722 1.00 12.22 C ATOM 1222 C GLU A 79 -4.597 -13.798 -27.364 1.00 45.21 C ATOM 1223 O GLU A 79 -3.664 -13.576 -26.593 1.00 33.24 O ATOM 1224 CB GLU A 79 -5.887 -11.841 -26.491 1.00 13.44 C ATOM 1225 CG GLU A 79 -5.306 -10.439 -26.575 1.00 70.33 C ATOM 1226 CD GLU A 79 -6.350 -9.395 -26.920 1.00 2.43 C ATOM 1227 OE1 GLU A 79 -7.485 -9.501 -26.410 1.00 52.04 O ATOM 1228 OE2 GLU A 79 -6.032 -8.472 -27.698 1.00 41.51 O ATOM 0 H GLU A 79 -7.467 -13.628 -27.533 1.00 11.44 H new ATOM 0 HA GLU A 79 -5.157 -12.074 -28.499 1.00 12.22 H new ATOM 0 HB2 GLU A 79 -6.966 -11.770 -26.356 1.00 13.44 H new ATOM 0 HB3 GLU A 79 -5.487 -12.339 -25.608 1.00 13.44 H new ATOM 0 HG2 GLU A 79 -4.843 -10.184 -25.622 1.00 70.33 H new ATOM 0 HG3 GLU A 79 -4.517 -10.421 -27.327 1.00 70.33 H new ATOM 1235 N GLY A 80 -4.800 -14.983 -27.931 1.00 60.31 N ATOM 1236 CA GLY A 80 -3.911 -16.098 -27.660 1.00 1.32 C ATOM 1237 C GLY A 80 -4.024 -17.196 -28.699 1.00 11.25 C ATOM 1238 O GLY A 80 -3.025 -17.808 -29.078 1.00 14.12 O ATOM 0 H GLY A 80 -5.564 -15.191 -28.573 1.00 60.31 H new ATOM 0 HA2 GLY A 80 -2.883 -15.739 -27.626 1.00 1.32 H new ATOM 0 HA3 GLY A 80 -4.138 -16.509 -26.676 1.00 1.32 H new ATOM 1242 N LYS A 81 -5.244 -17.448 -29.160 1.00 34.34 N ATOM 1243 CA LYS A 81 -5.486 -18.481 -30.161 1.00 11.44 C ATOM 1244 C LYS A 81 -5.642 -17.867 -31.548 1.00 51.13 C ATOM 1245 O LYS A 81 -6.187 -18.494 -32.458 1.00 12.31 O ATOM 1246 CB LYS A 81 -6.739 -19.284 -29.803 1.00 2.43 C ATOM 1247 CG LYS A 81 -6.480 -20.770 -29.631 1.00 62.32 C ATOM 1248 CD LYS A 81 -7.768 -21.535 -29.378 1.00 71.20 C ATOM 1249 CE LYS A 81 -7.580 -22.608 -28.316 1.00 40.21 C ATOM 1250 NZ LYS A 81 -7.309 -23.943 -28.918 1.00 12.31 N ATOM 0 H LYS A 81 -6.081 -16.951 -28.856 1.00 34.34 H new ATOM 0 HA LYS A 81 -4.625 -19.149 -30.173 1.00 11.44 H new ATOM 0 HB2 LYS A 81 -7.163 -18.888 -28.880 1.00 2.43 H new ATOM 0 HB3 LYS A 81 -7.487 -19.142 -30.583 1.00 2.43 H new ATOM 0 HG2 LYS A 81 -5.993 -21.161 -30.524 1.00 62.32 H new ATOM 0 HG3 LYS A 81 -5.793 -20.927 -28.799 1.00 62.32 H new ATOM 0 HD2 LYS A 81 -8.548 -20.842 -29.062 1.00 71.20 H new ATOM 0 HD3 LYS A 81 -8.107 -21.996 -30.306 1.00 71.20 H new ATOM 0 HE2 LYS A 81 -6.754 -22.330 -27.662 1.00 40.21 H new ATOM 0 HE3 LYS A 81 -8.474 -22.664 -27.695 1.00 40.21 H new ATOM 0 HZ1 LYS A 81 -7.187 -24.646 -28.162 1.00 12.31 H new ATOM 0 HZ2 LYS A 81 -8.109 -24.220 -29.523 1.00 12.31 H new ATOM 0 HZ3 LYS A 81 -6.442 -23.896 -29.490 1.00 12.31 H new ATOM 1264 N LEU A 82 -5.160 -16.639 -31.705 1.00 25.22 N ATOM 1265 CA LEU A 82 -5.244 -15.941 -32.983 1.00 21.10 C ATOM 1266 C LEU A 82 -3.877 -15.411 -33.405 1.00 74.12 C ATOM 1267 O LEU A 82 -3.384 -15.730 -34.487 1.00 51.23 O ATOM 1268 CB LEU A 82 -6.245 -14.788 -32.892 1.00 2.15 C ATOM 1269 CG LEU A 82 -7.515 -14.934 -33.730 1.00 51.31 C ATOM 1270 CD1 LEU A 82 -8.412 -13.718 -33.555 1.00 74.25 C ATOM 1271 CD2 LEU A 82 -7.165 -15.134 -35.197 1.00 75.44 C ATOM 0 H LEU A 82 -4.707 -16.106 -30.963 1.00 25.22 H new ATOM 0 HA LEU A 82 -5.586 -16.652 -33.735 1.00 21.10 H new ATOM 0 HB2 LEU A 82 -6.535 -14.666 -31.848 1.00 2.15 H new ATOM 0 HB3 LEU A 82 -5.740 -13.870 -33.192 1.00 2.15 H new ATOM 0 HG LEU A 82 -8.058 -15.813 -33.383 1.00 51.31 H new ATOM 0 HD11 LEU A 82 -9.311 -13.839 -34.159 1.00 74.25 H new ATOM 0 HD12 LEU A 82 -8.690 -13.619 -32.506 1.00 74.25 H new ATOM 0 HD13 LEU A 82 -7.878 -12.823 -33.875 1.00 74.25 H new ATOM 0 HD21 LEU A 82 -8.081 -15.236 -35.779 1.00 75.44 H new ATOM 0 HD22 LEU A 82 -6.600 -14.274 -35.557 1.00 75.44 H new ATOM 0 HD23 LEU A 82 -6.562 -16.036 -35.308 1.00 75.44 H new ATOM 1283 N ASP A 83 -3.270 -14.603 -32.544 1.00 13.44 N ATOM 1284 CA ASP A 83 -1.959 -14.031 -32.826 1.00 3.25 C ATOM 1285 C ASP A 83 -0.926 -14.513 -31.811 1.00 72.25 C ATOM 1286 O ASP A 83 -1.112 -14.367 -30.604 1.00 13.31 O ATOM 1287 CB ASP A 83 -2.031 -12.503 -32.811 1.00 61.10 C ATOM 1288 CG ASP A 83 -3.349 -11.981 -33.348 1.00 0.42 C ATOM 1289 OD1 ASP A 83 -3.775 -12.443 -34.427 1.00 54.31 O ATOM 1290 OD2 ASP A 83 -3.954 -11.110 -32.688 1.00 75.43 O ATOM 0 H ASP A 83 -3.665 -14.329 -31.644 1.00 13.44 H new ATOM 0 HA ASP A 83 -1.651 -14.363 -33.818 1.00 3.25 H new ATOM 0 HB2 ASP A 83 -1.890 -12.145 -31.791 1.00 61.10 H new ATOM 0 HB3 ASP A 83 -1.213 -12.098 -33.407 1.00 61.10 H new ATOM 1295 N ALA A 84 0.162 -15.090 -32.311 1.00 72.12 N ATOM 1296 CA ALA A 84 1.224 -15.593 -31.449 1.00 60.31 C ATOM 1297 C ALA A 84 1.775 -14.488 -30.555 1.00 2.02 C ATOM 1298 O ALA A 84 2.290 -14.754 -29.469 1.00 11.13 O ATOM 1299 CB ALA A 84 2.339 -16.203 -32.286 1.00 51.42 C ATOM 0 H ALA A 84 0.331 -15.221 -33.308 1.00 72.12 H new ATOM 0 HA ALA A 84 0.802 -16.366 -30.807 1.00 60.31 H new ATOM 0 HB1 ALA A 84 3.125 -16.575 -31.629 1.00 51.42 H new ATOM 0 HB2 ALA A 84 1.941 -17.027 -32.877 1.00 51.42 H new ATOM 0 HB3 ALA A 84 2.751 -15.445 -32.952 1.00 51.42 H new ATOM 1305 N SER A 85 1.664 -13.247 -31.019 1.00 24.33 N ATOM 1306 CA SER A 85 2.156 -12.102 -30.262 1.00 41.43 C ATOM 1307 C SER A 85 1.328 -11.889 -28.999 1.00 20.24 C ATOM 1308 O SER A 85 1.866 -11.575 -27.936 1.00 61.21 O ATOM 1309 CB SER A 85 2.121 -10.840 -31.127 1.00 0.13 C ATOM 1310 OG SER A 85 2.674 -11.084 -32.408 1.00 63.22 O ATOM 0 H SER A 85 1.238 -13.009 -31.915 1.00 24.33 H new ATOM 0 HA SER A 85 3.186 -12.306 -29.970 1.00 41.43 H new ATOM 0 HB2 SER A 85 1.092 -10.495 -31.231 1.00 0.13 H new ATOM 0 HB3 SER A 85 2.676 -10.042 -30.634 1.00 0.13 H new ATOM 0 HG SER A 85 2.638 -10.263 -32.942 1.00 63.22 H new ATOM 1316 N CYS A 86 0.017 -12.063 -29.122 1.00 51.42 N ATOM 1317 CA CYS A 86 -0.887 -11.889 -27.991 1.00 33.32 C ATOM 1318 C CYS A 86 -0.735 -13.033 -26.993 1.00 4.52 C ATOM 1319 O CYS A 86 -0.753 -12.818 -25.781 1.00 62.41 O ATOM 1320 CB CYS A 86 -2.335 -11.810 -28.476 1.00 54.21 C ATOM 1321 SG CYS A 86 -2.642 -10.488 -29.671 1.00 11.54 S ATOM 0 H CYS A 86 -0.444 -12.324 -29.994 1.00 51.42 H new ATOM 0 HA CYS A 86 -0.627 -10.956 -27.490 1.00 33.32 H new ATOM 0 HB2 CYS A 86 -2.608 -12.764 -28.927 1.00 54.21 H new ATOM 0 HB3 CYS A 86 -2.988 -11.666 -27.615 1.00 54.21 H new ATOM 0 HG CYS A 86 -3.302 -10.964 -30.685 1.00 11.54 H new ATOM 1327 N ALA A 87 -0.586 -14.247 -27.511 1.00 21.33 N ATOM 1328 CA ALA A 87 -0.430 -15.424 -26.665 1.00 61.43 C ATOM 1329 C ALA A 87 0.873 -15.364 -25.875 1.00 60.24 C ATOM 1330 O ALA A 87 0.908 -15.696 -24.690 1.00 63.24 O ATOM 1331 CB ALA A 87 -0.480 -16.690 -27.508 1.00 73.12 C ATOM 0 H ALA A 87 -0.570 -14.442 -28.512 1.00 21.33 H new ATOM 0 HA ALA A 87 -1.255 -15.441 -25.953 1.00 61.43 H new ATOM 0 HB1 ALA A 87 -0.362 -17.561 -26.864 1.00 73.12 H new ATOM 0 HB2 ALA A 87 -1.439 -16.747 -28.023 1.00 73.12 H new ATOM 0 HB3 ALA A 87 0.325 -16.670 -28.242 1.00 73.12 H new ATOM 1337 N VAL A 88 1.943 -14.939 -26.539 1.00 63.14 N ATOM 1338 CA VAL A 88 3.249 -14.835 -25.899 1.00 31.11 C ATOM 1339 C VAL A 88 3.282 -13.682 -24.903 1.00 1.43 C ATOM 1340 O VAL A 88 3.848 -13.802 -23.817 1.00 31.14 O ATOM 1341 CB VAL A 88 4.369 -14.635 -26.937 1.00 50.21 C ATOM 1342 CG1 VAL A 88 5.702 -14.396 -26.245 1.00 63.40 C ATOM 1343 CG2 VAL A 88 4.450 -15.833 -27.871 1.00 22.24 C ATOM 0 H VAL A 88 1.931 -14.661 -27.520 1.00 63.14 H new ATOM 0 HA VAL A 88 3.418 -15.773 -25.370 1.00 31.11 H new ATOM 0 HB VAL A 88 4.134 -13.754 -27.534 1.00 50.21 H new ATOM 0 HG11 VAL A 88 6.481 -14.257 -26.994 1.00 63.40 H new ATOM 0 HG12 VAL A 88 5.634 -13.504 -25.622 1.00 63.40 H new ATOM 0 HG13 VAL A 88 5.948 -15.256 -25.622 1.00 63.40 H new ATOM 0 HG21 VAL A 88 5.247 -15.674 -28.598 1.00 22.24 H new ATOM 0 HG22 VAL A 88 4.661 -16.732 -27.292 1.00 22.24 H new ATOM 0 HG23 VAL A 88 3.501 -15.952 -28.393 1.00 22.24 H new ATOM 1353 N ALA A 89 2.671 -12.563 -25.280 1.00 61.32 N ATOM 1354 CA ALA A 89 2.628 -11.388 -24.419 1.00 23.11 C ATOM 1355 C ALA A 89 1.882 -11.685 -23.122 1.00 43.44 C ATOM 1356 O ALA A 89 2.335 -11.318 -22.037 1.00 55.45 O ATOM 1357 CB ALA A 89 1.979 -10.222 -25.149 1.00 74.11 C ATOM 0 H ALA A 89 2.199 -12.446 -26.177 1.00 61.32 H new ATOM 0 HA ALA A 89 3.653 -11.117 -24.164 1.00 23.11 H new ATOM 0 HB1 ALA A 89 1.954 -9.351 -24.494 1.00 74.11 H new ATOM 0 HB2 ALA A 89 2.556 -9.986 -26.043 1.00 74.11 H new ATOM 0 HB3 ALA A 89 0.962 -10.492 -25.434 1.00 74.11 H new ATOM 1363 N ILE A 90 0.738 -12.350 -23.242 1.00 42.44 N ATOM 1364 CA ILE A 90 -0.070 -12.695 -22.079 1.00 65.13 C ATOM 1365 C ILE A 90 0.623 -13.749 -21.223 1.00 21.35 C ATOM 1366 O ILE A 90 0.718 -13.608 -20.004 1.00 1.21 O ATOM 1367 CB ILE A 90 -1.458 -13.217 -22.493 1.00 70.32 C ATOM 1368 CG1 ILE A 90 -2.245 -12.121 -23.214 1.00 15.15 C ATOM 1369 CG2 ILE A 90 -2.223 -13.712 -21.275 1.00 25.54 C ATOM 1370 CD1 ILE A 90 -3.517 -12.619 -23.865 1.00 2.32 C ATOM 0 H ILE A 90 0.350 -12.661 -24.133 1.00 42.44 H new ATOM 0 HA ILE A 90 -0.194 -11.781 -21.497 1.00 65.13 H new ATOM 0 HB ILE A 90 -1.325 -14.054 -23.179 1.00 70.32 H new ATOM 0 HG12 ILE A 90 -2.495 -11.335 -22.501 1.00 15.15 H new ATOM 0 HG13 ILE A 90 -1.609 -11.670 -23.976 1.00 15.15 H new ATOM 0 HG21 ILE A 90 -3.202 -14.078 -21.584 1.00 25.54 H new ATOM 0 HG22 ILE A 90 -1.667 -14.520 -20.800 1.00 25.54 H new ATOM 0 HG23 ILE A 90 -2.349 -12.893 -20.567 1.00 25.54 H new ATOM 0 HD11 ILE A 90 -4.023 -11.788 -24.357 1.00 2.32 H new ATOM 0 HD12 ILE A 90 -3.273 -13.384 -24.603 1.00 2.32 H new ATOM 0 HD13 ILE A 90 -4.172 -13.044 -23.105 1.00 2.32 H new ATOM 1382 N GLU A 91 1.107 -14.805 -21.869 1.00 72.32 N ATOM 1383 CA GLU A 91 1.792 -15.883 -21.166 1.00 20.24 C ATOM 1384 C GLU A 91 2.984 -15.347 -20.378 1.00 31.13 C ATOM 1385 O GLU A 91 3.273 -15.814 -19.277 1.00 23.51 O ATOM 1386 CB GLU A 91 2.260 -16.952 -22.156 1.00 1.33 C ATOM 1387 CG GLU A 91 1.170 -17.933 -22.553 1.00 21.14 C ATOM 1388 CD GLU A 91 1.641 -18.944 -23.580 1.00 23.44 C ATOM 1389 OE1 GLU A 91 2.553 -18.610 -24.365 1.00 61.50 O ATOM 1390 OE2 GLU A 91 1.099 -20.069 -23.598 1.00 53.22 O ATOM 0 H GLU A 91 1.037 -14.937 -22.878 1.00 72.32 H new ATOM 0 HA GLU A 91 1.087 -16.331 -20.466 1.00 20.24 H new ATOM 0 HB2 GLU A 91 2.641 -16.463 -23.053 1.00 1.33 H new ATOM 0 HB3 GLU A 91 3.091 -17.504 -21.716 1.00 1.33 H new ATOM 0 HG2 GLU A 91 0.819 -18.459 -21.665 1.00 21.14 H new ATOM 0 HG3 GLU A 91 0.319 -17.382 -22.954 1.00 21.14 H new ATOM 1397 N GLU A 92 3.671 -14.364 -20.951 1.00 30.00 N ATOM 1398 CA GLU A 92 4.832 -13.766 -20.303 1.00 1.41 C ATOM 1399 C GLU A 92 4.407 -12.876 -19.139 1.00 12.35 C ATOM 1400 O GLU A 92 4.994 -12.926 -18.058 1.00 44.24 O ATOM 1401 CB GLU A 92 5.644 -12.951 -21.312 1.00 54.41 C ATOM 1402 CG GLU A 92 7.112 -12.818 -20.946 1.00 44.44 C ATOM 1403 CD GLU A 92 8.033 -13.363 -22.021 1.00 32.53 C ATOM 1404 OE1 GLU A 92 8.048 -14.597 -22.217 1.00 43.22 O ATOM 1405 OE2 GLU A 92 8.737 -12.558 -22.664 1.00 65.44 O ATOM 0 H GLU A 92 3.444 -13.965 -21.862 1.00 30.00 H new ATOM 0 HA GLU A 92 5.454 -14.572 -19.914 1.00 1.41 H new ATOM 0 HB2 GLU A 92 5.564 -13.419 -22.293 1.00 54.41 H new ATOM 0 HB3 GLU A 92 5.208 -11.956 -21.397 1.00 54.41 H new ATOM 0 HG2 GLU A 92 7.345 -11.768 -20.771 1.00 44.44 H new ATOM 0 HG3 GLU A 92 7.299 -13.346 -20.011 1.00 44.44 H new ATOM 1412 N ALA A 93 3.382 -12.061 -19.368 1.00 32.45 N ATOM 1413 CA ALA A 93 2.876 -11.161 -18.338 1.00 65.34 C ATOM 1414 C ALA A 93 2.494 -11.929 -17.078 1.00 15.14 C ATOM 1415 O ALA A 93 2.851 -11.535 -15.967 1.00 42.22 O ATOM 1416 CB ALA A 93 1.684 -10.376 -18.863 1.00 74.13 C ATOM 0 H ALA A 93 2.886 -12.005 -20.257 1.00 32.45 H new ATOM 0 HA ALA A 93 3.671 -10.462 -18.078 1.00 65.34 H new ATOM 0 HB1 ALA A 93 1.316 -9.708 -18.084 1.00 74.13 H new ATOM 0 HB2 ALA A 93 1.988 -9.789 -19.730 1.00 74.13 H new ATOM 0 HB3 ALA A 93 0.892 -11.067 -19.152 1.00 74.13 H new ATOM 1422 N ILE A 94 1.764 -13.025 -17.257 1.00 23.15 N ATOM 1423 CA ILE A 94 1.334 -13.847 -16.133 1.00 33.43 C ATOM 1424 C ILE A 94 2.490 -14.674 -15.581 1.00 63.25 C ATOM 1425 O ILE A 94 2.563 -14.933 -14.381 1.00 22.34 O ATOM 1426 CB ILE A 94 0.187 -14.793 -16.534 1.00 73.53 C ATOM 1427 CG1 ILE A 94 0.667 -15.793 -17.588 1.00 75.52 C ATOM 1428 CG2 ILE A 94 -1.000 -13.996 -17.054 1.00 71.13 C ATOM 1429 CD1 ILE A 94 -0.419 -16.730 -18.071 1.00 22.00 C ATOM 0 H ILE A 94 1.458 -13.364 -18.169 1.00 23.15 H new ATOM 0 HA ILE A 94 0.979 -13.164 -15.361 1.00 33.43 H new ATOM 0 HB ILE A 94 -0.132 -15.348 -15.652 1.00 73.53 H new ATOM 0 HG12 ILE A 94 1.069 -15.245 -18.440 1.00 75.52 H new ATOM 0 HG13 ILE A 94 1.485 -16.381 -17.173 1.00 75.52 H new ATOM 0 HG21 ILE A 94 -1.802 -14.679 -17.333 1.00 71.13 H new ATOM 0 HG22 ILE A 94 -1.353 -13.320 -16.276 1.00 71.13 H new ATOM 0 HG23 ILE A 94 -0.696 -13.418 -17.926 1.00 71.13 H new ATOM 0 HD11 ILE A 94 -0.007 -17.411 -18.816 1.00 22.00 H new ATOM 0 HD12 ILE A 94 -0.805 -17.304 -17.229 1.00 22.00 H new ATOM 0 HD13 ILE A 94 -1.228 -16.151 -18.516 1.00 22.00 H new ATOM 1441 N GLN A 95 3.393 -15.084 -16.467 1.00 53.32 N ATOM 1442 CA GLN A 95 4.547 -15.880 -16.069 1.00 30.45 C ATOM 1443 C GLN A 95 5.459 -15.089 -15.136 1.00 75.31 C ATOM 1444 O GLN A 95 6.122 -15.659 -14.269 1.00 23.01 O ATOM 1445 CB GLN A 95 5.330 -16.335 -17.301 1.00 72.25 C ATOM 1446 CG GLN A 95 6.627 -17.054 -16.968 1.00 1.25 C ATOM 1447 CD GLN A 95 7.837 -16.146 -17.058 1.00 45.55 C ATOM 1448 OE1 GLN A 95 7.962 -15.350 -17.990 1.00 1.53 O ATOM 1449 NE2 GLN A 95 8.738 -16.260 -16.089 1.00 52.22 N ATOM 0 H GLN A 95 3.347 -14.878 -17.465 1.00 53.32 H new ATOM 0 HA GLN A 95 4.183 -16.757 -15.534 1.00 30.45 H new ATOM 0 HB2 GLN A 95 4.701 -16.996 -17.897 1.00 72.25 H new ATOM 0 HB3 GLN A 95 5.555 -15.466 -17.919 1.00 72.25 H new ATOM 0 HG2 GLN A 95 6.561 -17.467 -15.961 1.00 1.25 H new ATOM 0 HG3 GLN A 95 6.757 -17.895 -17.649 1.00 1.25 H new ATOM 0 HE21 GLN A 95 8.595 -16.933 -15.336 1.00 52.22 H new ATOM 0 HE22 GLN A 95 9.573 -15.675 -16.098 1.00 52.22 H new ATOM 1458 N LEU A 96 5.487 -13.774 -15.320 1.00 74.01 N ATOM 1459 CA LEU A 96 6.318 -12.904 -14.495 1.00 55.33 C ATOM 1460 C LEU A 96 5.559 -12.442 -13.255 1.00 52.13 C ATOM 1461 O LEU A 96 6.117 -12.385 -12.159 1.00 52.32 O ATOM 1462 CB LEU A 96 6.781 -11.691 -15.305 1.00 32.13 C ATOM 1463 CG LEU A 96 7.773 -11.976 -16.433 1.00 21.34 C ATOM 1464 CD1 LEU A 96 7.901 -10.769 -17.349 1.00 72.51 C ATOM 1465 CD2 LEU A 96 9.131 -12.362 -15.864 1.00 33.34 C ATOM 0 H LEU A 96 4.944 -13.287 -16.033 1.00 74.01 H new ATOM 0 HA LEU A 96 7.190 -13.473 -14.173 1.00 55.33 H new ATOM 0 HB2 LEU A 96 5.903 -11.209 -15.734 1.00 32.13 H new ATOM 0 HB3 LEU A 96 7.236 -10.974 -14.621 1.00 32.13 H new ATOM 0 HG LEU A 96 7.396 -12.813 -17.020 1.00 21.34 H new ATOM 0 HD11 LEU A 96 8.611 -10.991 -18.146 1.00 72.51 H new ATOM 0 HD12 LEU A 96 6.929 -10.537 -17.784 1.00 72.51 H new ATOM 0 HD13 LEU A 96 8.255 -9.913 -16.775 1.00 72.51 H new ATOM 0 HD21 LEU A 96 9.824 -12.561 -16.681 1.00 33.34 H new ATOM 0 HD22 LEU A 96 9.515 -11.545 -15.253 1.00 33.34 H new ATOM 0 HD23 LEU A 96 9.027 -13.256 -15.250 1.00 33.34 H new ATOM 1477 N TYR A 97 4.284 -12.116 -13.436 1.00 11.44 N ATOM 1478 CA TYR A 97 3.448 -11.659 -12.332 1.00 3.25 C ATOM 1479 C TYR A 97 3.368 -12.717 -11.235 1.00 51.32 C ATOM 1480 O TYR A 97 3.456 -12.404 -10.049 1.00 11.45 O ATOM 1481 CB TYR A 97 2.044 -11.321 -12.833 1.00 54.45 C ATOM 1482 CG TYR A 97 1.259 -10.439 -11.889 1.00 12.15 C ATOM 1483 CD1 TYR A 97 1.816 -9.278 -11.367 1.00 11.32 C ATOM 1484 CD2 TYR A 97 -0.039 -10.767 -11.517 1.00 21.14 C ATOM 1485 CE1 TYR A 97 1.103 -8.469 -10.503 1.00 21.35 C ATOM 1486 CE2 TYR A 97 -0.760 -9.964 -10.654 1.00 44.02 C ATOM 1487 CZ TYR A 97 -0.184 -8.816 -10.150 1.00 33.43 C ATOM 1488 OH TYR A 97 -0.898 -8.014 -9.289 1.00 75.42 O ATOM 0 H TYR A 97 3.807 -12.160 -14.336 1.00 11.44 H new ATOM 0 HA TYR A 97 3.903 -10.761 -11.914 1.00 3.25 H new ATOM 0 HB2 TYR A 97 2.123 -10.824 -13.800 1.00 54.45 H new ATOM 0 HB3 TYR A 97 1.492 -12.247 -12.994 1.00 54.45 H new ATOM 0 HD1 TYR A 97 2.824 -9.003 -11.641 1.00 11.32 H new ATOM 0 HD2 TYR A 97 -0.492 -11.665 -11.909 1.00 21.14 H new ATOM 0 HE1 TYR A 97 1.551 -7.570 -10.106 1.00 21.35 H new ATOM 0 HE2 TYR A 97 -1.768 -10.233 -10.376 1.00 44.02 H new ATOM 0 HH TYR A 97 -1.787 -8.400 -9.144 1.00 75.42 H new ATOM 1498 N GLU A 98 3.201 -13.971 -11.643 1.00 53.22 N ATOM 1499 CA GLU A 98 3.108 -15.076 -10.696 1.00 42.31 C ATOM 1500 C GLU A 98 4.483 -15.431 -10.138 1.00 44.42 C ATOM 1501 O GLU A 98 4.594 -16.076 -9.097 1.00 34.44 O ATOM 1502 CB GLU A 98 2.486 -16.302 -11.368 1.00 2.32 C ATOM 1503 CG GLU A 98 0.992 -16.170 -11.612 1.00 3.21 C ATOM 1504 CD GLU A 98 0.432 -17.314 -12.434 1.00 21.53 C ATOM 1505 OE1 GLU A 98 -0.225 -17.041 -13.460 1.00 61.11 O ATOM 1506 OE2 GLU A 98 0.650 -18.483 -12.051 1.00 1.33 O ATOM 0 H GLU A 98 3.127 -14.247 -12.622 1.00 53.22 H new ATOM 0 HA GLU A 98 2.470 -14.761 -9.870 1.00 42.31 H new ATOM 0 HB2 GLU A 98 2.987 -16.477 -12.320 1.00 2.32 H new ATOM 0 HB3 GLU A 98 2.668 -17.178 -10.746 1.00 2.32 H new ATOM 0 HG2 GLU A 98 0.474 -16.128 -10.654 1.00 3.21 H new ATOM 0 HG3 GLU A 98 0.793 -15.228 -12.124 1.00 3.21 H new ATOM 1513 N GLU A 99 5.529 -15.004 -10.840 1.00 54.22 N ATOM 1514 CA GLU A 99 6.896 -15.278 -10.416 1.00 4.13 C ATOM 1515 C GLU A 99 7.361 -14.255 -9.383 1.00 33.35 C ATOM 1516 O GLU A 99 8.197 -14.555 -8.531 1.00 42.11 O ATOM 1517 CB GLU A 99 7.840 -15.266 -11.620 1.00 72.53 C ATOM 1518 CG GLU A 99 8.215 -16.654 -12.113 1.00 22.14 C ATOM 1519 CD GLU A 99 9.196 -17.354 -11.192 1.00 32.20 C ATOM 1520 OE1 GLU A 99 8.803 -17.693 -10.056 1.00 23.22 O ATOM 1521 OE2 GLU A 99 10.355 -17.563 -11.607 1.00 12.10 O ATOM 0 H GLU A 99 5.455 -14.467 -11.704 1.00 54.22 H new ATOM 0 HA GLU A 99 6.915 -16.267 -9.958 1.00 4.13 H new ATOM 0 HB2 GLU A 99 7.370 -14.715 -12.434 1.00 72.53 H new ATOM 0 HB3 GLU A 99 8.749 -14.726 -11.353 1.00 72.53 H new ATOM 0 HG2 GLU A 99 7.313 -17.259 -12.205 1.00 22.14 H new ATOM 0 HG3 GLU A 99 8.650 -16.577 -13.110 1.00 22.14 H new