USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 458 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 1 VAL N :NH3+ 155:sc= -0.196 (180deg=-0.505) USER MOD Single : A 5 TYR OH : rot 150:sc= -0.0436 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -2.77 K(o=-2.8,f=-11!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.38 K(o=-1.4,f=-2.9) USER MOD Single : A 23 ASN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -72:sc= 0.0403 USER MOD Single : A 29 ASN : amide:sc= -4.68! C(o=-4.7!,f=-8.9!) USER MOD Single : A 33 SER OG : rot 56:sc= 0.4 USER MOD Single : A 35 TYR OH : rot -58:sc= 0.045 USER MOD Single : A 37 GLN : amide:sc= -0.12 K(o=-0.12,f=-1.2) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -2.26 X(o=-2.3,f=-1.9!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 2.072 -0.612 0.311 1.00 30.44 N ATOM 2 CA VAL A 1 2.806 -0.551 -0.947 1.00 1.22 C ATOM 3 C VAL A 1 3.642 0.721 -1.034 1.00 15.51 C ATOM 4 O VAL A 1 3.503 1.625 -0.209 1.00 54.14 O ATOM 5 CB VAL A 1 1.854 -0.610 -2.156 1.00 33.22 C ATOM 6 CG1 VAL A 1 1.347 -2.029 -2.367 1.00 55.41 C ATOM 7 CG2 VAL A 1 0.694 0.357 -1.968 1.00 65.14 C ATOM 0 H1 VAL A 1 1.229 -1.209 0.192 1.00 30.44 H new ATOM 0 H2 VAL A 1 2.682 -1.017 1.050 1.00 30.44 H new ATOM 0 H3 VAL A 1 1.781 0.347 0.590 1.00 30.44 H new ATOM 0 HA VAL A 1 3.466 -1.418 -0.971 1.00 1.22 H new ATOM 0 HB VAL A 1 2.406 -0.310 -3.047 1.00 33.22 H new ATOM 0 HG11 VAL A 1 0.676 -2.052 -3.225 1.00 55.41 H new ATOM 0 HG12 VAL A 1 2.191 -2.694 -2.549 1.00 55.41 H new ATOM 0 HG13 VAL A 1 0.810 -2.360 -1.478 1.00 55.41 H new ATOM 0 HG21 VAL A 1 0.031 0.302 -2.832 1.00 65.14 H new ATOM 0 HG22 VAL A 1 0.140 0.090 -1.068 1.00 65.14 H new ATOM 0 HG23 VAL A 1 1.079 1.372 -1.870 1.00 65.14 H new ATOM 17 N ARG A 2 4.509 0.785 -2.038 1.00 43.35 N ATOM 18 CA ARG A 2 5.368 1.947 -2.233 1.00 43.13 C ATOM 19 C ARG A 2 5.740 2.108 -3.705 1.00 14.04 C ATOM 20 O ARG A 2 5.900 1.123 -4.426 1.00 0.31 O ATOM 21 CB ARG A 2 6.636 1.818 -1.387 1.00 64.14 C ATOM 22 CG ARG A 2 7.557 0.696 -1.838 1.00 22.42 C ATOM 23 CD ARG A 2 7.064 -0.658 -1.353 1.00 33.53 C ATOM 24 NE ARG A 2 8.040 -1.321 -0.492 1.00 1.42 N ATOM 25 CZ ARG A 2 9.211 -1.776 -0.923 1.00 41.42 C ATOM 26 NH1 ARG A 2 9.550 -1.640 -2.198 1.00 32.31 N ATOM 27 NH2 ARG A 2 10.046 -2.367 -0.079 1.00 24.04 N ATOM 0 H ARG A 2 4.636 0.046 -2.730 1.00 43.35 H new ATOM 0 HA ARG A 2 4.816 2.832 -1.917 1.00 43.13 H new ATOM 0 HB2 ARG A 2 7.182 2.761 -1.420 1.00 64.14 H new ATOM 0 HB3 ARG A 2 6.354 1.650 -0.348 1.00 64.14 H new ATOM 0 HG2 ARG A 2 7.622 0.692 -2.926 1.00 22.42 H new ATOM 0 HG3 ARG A 2 8.563 0.875 -1.459 1.00 22.42 H new ATOM 0 HD2 ARG A 2 6.129 -0.529 -0.808 1.00 33.53 H new ATOM 0 HD3 ARG A 2 6.848 -1.294 -2.212 1.00 33.53 H new ATOM 0 HE ARG A 2 7.810 -1.441 0.494 1.00 1.42 H new ATOM 0 HH11 ARG A 2 8.911 -1.185 -2.850 1.00 32.31 H new ATOM 0 HH12 ARG A 2 10.450 -1.990 -2.527 1.00 32.31 H new ATOM 0 HH21 ARG A 2 9.789 -2.473 0.902 1.00 24.04 H new ATOM 0 HH22 ARG A 2 10.945 -2.716 -0.411 1.00 24.04 H new ATOM 41 N ASP A 3 5.874 3.355 -4.142 1.00 60.03 N ATOM 42 CA ASP A 3 6.227 3.645 -5.527 1.00 51.32 C ATOM 43 C ASP A 3 7.739 3.759 -5.690 1.00 64.33 C ATOM 44 O ASP A 3 8.427 4.305 -4.828 1.00 62.23 O ATOM 45 CB ASP A 3 5.553 4.939 -5.987 1.00 4.31 C ATOM 46 CG ASP A 3 4.341 5.291 -5.147 1.00 43.21 C ATOM 47 OD1 ASP A 3 3.476 4.411 -4.956 1.00 54.22 O ATOM 48 OD2 ASP A 3 4.259 6.446 -4.680 1.00 54.21 O ATOM 0 H ASP A 3 5.744 4.181 -3.558 1.00 60.03 H new ATOM 0 HA ASP A 3 5.874 2.820 -6.146 1.00 51.32 H new ATOM 0 HB2 ASP A 3 6.273 5.756 -5.941 1.00 4.31 H new ATOM 0 HB3 ASP A 3 5.252 4.838 -7.030 1.00 4.31 H new ATOM 53 N ALA A 4 8.250 3.238 -6.801 1.00 43.12 N ATOM 54 CA ALA A 4 9.681 3.282 -7.078 1.00 32.34 C ATOM 55 C ALA A 4 10.010 2.564 -8.382 1.00 21.31 C ATOM 56 O ALA A 4 9.115 2.108 -9.094 1.00 60.01 O ATOM 57 CB ALA A 4 10.460 2.668 -5.924 1.00 2.22 C ATOM 0 H ALA A 4 7.694 2.781 -7.524 1.00 43.12 H new ATOM 0 HA ALA A 4 9.974 4.326 -7.185 1.00 32.34 H new ATOM 0 HB1 ALA A 4 11.527 2.707 -6.144 1.00 2.22 H new ATOM 0 HB2 ALA A 4 10.257 3.226 -5.010 1.00 2.22 H new ATOM 0 HB3 ALA A 4 10.155 1.630 -5.791 1.00 2.22 H new ATOM 63 N TYR A 5 11.299 2.467 -8.690 1.00 13.15 N ATOM 64 CA TYR A 5 11.746 1.807 -9.910 1.00 53.14 C ATOM 65 C TYR A 5 11.736 0.291 -9.745 1.00 32.42 C ATOM 66 O TYR A 5 12.629 -0.282 -9.120 1.00 61.52 O ATOM 67 CB TYR A 5 13.151 2.281 -10.286 1.00 55.23 C ATOM 68 CG TYR A 5 13.166 3.595 -11.035 1.00 23.31 C ATOM 69 CD1 TYR A 5 12.894 3.644 -12.397 1.00 33.04 C ATOM 70 CD2 TYR A 5 13.455 4.786 -10.381 1.00 54.33 C ATOM 71 CE1 TYR A 5 12.908 4.842 -13.085 1.00 75.40 C ATOM 72 CE2 TYR A 5 13.469 5.989 -11.061 1.00 63.42 C ATOM 73 CZ TYR A 5 13.195 6.011 -12.413 1.00 4.21 C ATOM 74 OH TYR A 5 13.210 7.207 -13.094 1.00 64.31 O ATOM 0 H TYR A 5 12.052 2.837 -8.111 1.00 13.15 H new ATOM 0 HA TYR A 5 11.054 2.071 -10.710 1.00 53.14 H new ATOM 0 HB2 TYR A 5 13.746 2.383 -9.379 1.00 55.23 H new ATOM 0 HB3 TYR A 5 13.631 1.518 -10.898 1.00 55.23 H new ATOM 0 HD1 TYR A 5 12.668 2.730 -12.926 1.00 33.04 H new ATOM 0 HD2 TYR A 5 13.672 4.772 -9.323 1.00 54.33 H new ATOM 0 HE1 TYR A 5 12.695 4.863 -14.144 1.00 75.40 H new ATOM 0 HE2 TYR A 5 13.693 6.906 -10.537 1.00 63.42 H new ATOM 0 HH TYR A 5 12.952 7.932 -12.487 1.00 64.31 H new ATOM 84 N ILE A 6 10.720 -0.353 -10.309 1.00 54.03 N ATOM 85 CA ILE A 6 10.593 -1.803 -10.226 1.00 45.34 C ATOM 86 C ILE A 6 11.801 -2.496 -10.848 1.00 21.12 C ATOM 87 O ILE A 6 12.359 -2.024 -11.838 1.00 22.02 O ATOM 88 CB ILE A 6 9.315 -2.298 -10.927 1.00 55.54 C ATOM 89 CG1 ILE A 6 9.281 -3.827 -10.956 1.00 4.05 C ATOM 90 CG2 ILE A 6 9.232 -1.735 -12.338 1.00 44.44 C ATOM 91 CD1 ILE A 6 7.914 -4.396 -11.262 1.00 32.21 C ATOM 0 H ILE A 6 9.972 0.107 -10.829 1.00 54.03 H new ATOM 0 HA ILE A 6 10.537 -2.055 -9.167 1.00 45.34 H new ATOM 0 HB ILE A 6 8.451 -1.945 -10.364 1.00 55.54 H new ATOM 0 HG12 ILE A 6 9.990 -4.184 -11.703 1.00 4.05 H new ATOM 0 HG13 ILE A 6 9.616 -4.208 -9.991 1.00 4.05 H new ATOM 0 HG21 ILE A 6 8.323 -2.094 -12.820 1.00 44.44 H new ATOM 0 HG22 ILE A 6 9.214 -0.646 -12.295 1.00 44.44 H new ATOM 0 HG23 ILE A 6 10.100 -2.061 -12.911 1.00 44.44 H new ATOM 0 HD11 ILE A 6 7.966 -5.485 -11.266 1.00 32.21 H new ATOM 0 HD12 ILE A 6 7.205 -4.069 -10.501 1.00 32.21 H new ATOM 0 HD13 ILE A 6 7.584 -4.045 -12.240 1.00 32.21 H new ATOM 103 N ALA A 7 12.198 -3.620 -10.260 1.00 62.15 N ATOM 104 CA ALA A 7 13.337 -4.381 -10.759 1.00 22.24 C ATOM 105 C ALA A 7 13.202 -5.861 -10.414 1.00 40.51 C ATOM 106 O ALA A 7 12.281 -6.262 -9.703 1.00 15.52 O ATOM 107 CB ALA A 7 14.634 -3.822 -10.192 1.00 50.25 C ATOM 0 H ALA A 7 11.748 -4.023 -9.438 1.00 62.15 H new ATOM 0 HA ALA A 7 13.357 -4.288 -11.845 1.00 22.24 H new ATOM 0 HB1 ALA A 7 15.476 -4.400 -10.573 1.00 50.25 H new ATOM 0 HB2 ALA A 7 14.743 -2.780 -10.492 1.00 50.25 H new ATOM 0 HB3 ALA A 7 14.613 -3.886 -9.104 1.00 50.25 H new ATOM 113 N LYS A 8 14.126 -6.669 -10.923 1.00 54.43 N ATOM 114 CA LYS A 8 14.111 -8.104 -10.670 1.00 32.34 C ATOM 115 C LYS A 8 15.402 -8.550 -9.991 1.00 70.40 C ATOM 116 O LYS A 8 16.490 -8.056 -10.287 1.00 51.20 O ATOM 117 CB LYS A 8 13.919 -8.873 -11.979 1.00 54.41 C ATOM 118 CG LYS A 8 14.967 -8.554 -13.031 1.00 3.13 C ATOM 119 CD LYS A 8 15.043 -9.641 -14.090 1.00 3.22 C ATOM 120 CE LYS A 8 16.111 -10.671 -13.756 1.00 4.14 C ATOM 121 NZ LYS A 8 15.697 -12.047 -14.147 1.00 50.40 N ATOM 0 H LYS A 8 14.895 -6.353 -11.514 1.00 54.43 H new ATOM 0 HA LYS A 8 13.276 -8.321 -10.003 1.00 32.34 H new ATOM 0 HB2 LYS A 8 13.941 -9.942 -11.769 1.00 54.41 H new ATOM 0 HB3 LYS A 8 12.932 -8.647 -12.382 1.00 54.41 H new ATOM 0 HG2 LYS A 8 14.731 -7.600 -13.503 1.00 3.13 H new ATOM 0 HG3 LYS A 8 15.940 -8.441 -12.554 1.00 3.13 H new ATOM 0 HD2 LYS A 8 14.075 -10.134 -14.177 1.00 3.22 H new ATOM 0 HD3 LYS A 8 15.260 -9.192 -15.059 1.00 3.22 H new ATOM 0 HE2 LYS A 8 17.038 -10.412 -14.267 1.00 4.14 H new ATOM 0 HE3 LYS A 8 16.319 -10.645 -12.686 1.00 4.14 H new ATOM 0 HZ1 LYS A 8 16.452 -12.719 -13.903 1.00 50.40 H new ATOM 0 HZ2 LYS A 8 14.826 -12.305 -13.640 1.00 50.40 H new ATOM 0 HZ3 LYS A 8 15.523 -12.079 -15.172 1.00 50.40 H new ATOM 135 N PRO A 9 15.282 -9.508 -9.060 1.00 31.22 N ATOM 136 CA PRO A 9 16.430 -10.043 -8.322 1.00 31.22 C ATOM 137 C PRO A 9 17.348 -10.881 -9.205 1.00 50.35 C ATOM 138 O PRO A 9 16.930 -11.386 -10.247 1.00 11.23 O ATOM 139 CB PRO A 9 15.783 -10.916 -7.244 1.00 30.23 C ATOM 140 CG PRO A 9 14.463 -11.306 -7.814 1.00 12.24 C ATOM 141 CD PRO A 9 14.016 -10.143 -8.656 1.00 61.21 C ATOM 0 HA PRO A 9 17.064 -9.250 -7.925 1.00 31.22 H new ATOM 0 HB2 PRO A 9 16.394 -11.792 -7.025 1.00 30.23 H new ATOM 0 HB3 PRO A 9 15.664 -10.368 -6.309 1.00 30.23 H new ATOM 0 HG2 PRO A 9 14.549 -12.212 -8.414 1.00 12.24 H new ATOM 0 HG3 PRO A 9 13.743 -11.515 -7.023 1.00 12.24 H new ATOM 0 HD2 PRO A 9 13.437 -10.471 -9.520 1.00 61.21 H new ATOM 0 HD3 PRO A 9 13.385 -9.457 -8.091 1.00 61.21 H new ATOM 149 N GLU A 10 18.600 -11.024 -8.783 1.00 1.25 N ATOM 150 CA GLU A 10 19.061 -10.411 -7.542 1.00 64.32 C ATOM 151 C GLU A 10 19.506 -8.971 -7.779 1.00 54.32 C ATOM 152 O GLU A 10 20.502 -8.721 -8.457 1.00 15.33 O ATOM 153 CB GLU A 10 20.215 -11.221 -6.946 1.00 11.31 C ATOM 154 CG GLU A 10 20.042 -12.723 -7.089 1.00 32.41 C ATOM 155 CD GLU A 10 21.069 -13.507 -6.295 1.00 32.20 C ATOM 156 OE1 GLU A 10 21.529 -12.995 -5.253 1.00 43.11 O ATOM 157 OE2 GLU A 10 21.412 -14.632 -6.715 1.00 1.20 O ATOM 0 H GLU A 10 19.313 -11.558 -9.281 1.00 1.25 H new ATOM 0 HA GLU A 10 18.229 -10.405 -6.838 1.00 64.32 H new ATOM 0 HB2 GLU A 10 21.145 -10.923 -7.430 1.00 11.31 H new ATOM 0 HB3 GLU A 10 20.313 -10.974 -5.889 1.00 11.31 H new ATOM 0 HG2 GLU A 10 19.042 -13.003 -6.758 1.00 32.41 H new ATOM 0 HG3 GLU A 10 20.117 -12.995 -8.142 1.00 32.41 H new ATOM 164 N ASN A 11 18.758 -8.027 -7.216 1.00 22.01 N ATOM 165 CA ASN A 11 19.073 -6.611 -7.366 1.00 64.13 C ATOM 166 C ASN A 11 19.503 -6.298 -8.796 1.00 65.44 C ATOM 167 O ASN A 11 20.672 -6.009 -9.056 1.00 11.22 O ATOM 168 CB ASN A 11 20.179 -6.207 -6.389 1.00 44.14 C ATOM 169 CG ASN A 11 20.068 -4.757 -5.958 1.00 22.44 C ATOM 170 OD1 ASN A 11 18.987 -4.169 -5.993 1.00 4.14 O ATOM 171 ND2 ASN A 11 21.189 -4.175 -5.548 1.00 12.33 N ATOM 0 H ASN A 11 17.930 -8.217 -6.652 1.00 22.01 H new ATOM 0 HA ASN A 11 18.173 -6.038 -7.142 1.00 64.13 H new ATOM 0 HB2 ASN A 11 20.135 -6.849 -5.509 1.00 44.14 H new ATOM 0 HB3 ASN A 11 21.150 -6.371 -6.856 1.00 44.14 H new ATOM 0 HD21 ASN A 11 21.177 -3.201 -5.245 1.00 12.33 H new ATOM 0 HD22 ASN A 11 22.062 -4.702 -5.536 1.00 12.33 H new ATOM 178 N CYS A 12 18.551 -6.358 -9.721 1.00 62.52 N ATOM 179 CA CYS A 12 18.830 -6.082 -11.125 1.00 73.03 C ATOM 180 C CYS A 12 17.757 -5.178 -11.725 1.00 13.43 C ATOM 181 O CYS A 12 16.562 -5.401 -11.532 1.00 34.45 O ATOM 182 CB CYS A 12 18.912 -7.388 -11.917 1.00 71.44 C ATOM 183 SG CYS A 12 20.604 -7.862 -12.396 1.00 65.40 S ATOM 0 H CYS A 12 17.579 -6.595 -9.523 1.00 62.52 H new ATOM 0 HA CYS A 12 19.789 -5.568 -11.184 1.00 73.03 H new ATOM 0 HB2 CYS A 12 18.477 -8.190 -11.321 1.00 71.44 H new ATOM 0 HB3 CYS A 12 18.304 -7.294 -12.817 1.00 71.44 H new ATOM 188 N VAL A 13 18.192 -4.155 -12.454 1.00 2.24 N ATOM 189 CA VAL A 13 17.270 -3.217 -13.083 1.00 1.12 C ATOM 190 C VAL A 13 16.541 -3.865 -14.254 1.00 62.33 C ATOM 191 O VAL A 13 16.968 -4.899 -14.770 1.00 5.42 O ATOM 192 CB VAL A 13 18.004 -1.958 -13.582 1.00 72.12 C ATOM 193 CG1 VAL A 13 18.765 -1.297 -12.444 1.00 5.23 C ATOM 194 CG2 VAL A 13 18.940 -2.307 -14.729 1.00 23.50 C ATOM 0 H VAL A 13 19.178 -3.955 -12.624 1.00 2.24 H new ATOM 0 HA VAL A 13 16.545 -2.928 -12.323 1.00 1.12 H new ATOM 0 HB VAL A 13 17.263 -1.249 -13.951 1.00 72.12 H new ATOM 0 HG11 VAL A 13 19.277 -0.410 -12.816 1.00 5.23 H new ATOM 0 HG12 VAL A 13 18.067 -1.010 -11.658 1.00 5.23 H new ATOM 0 HG13 VAL A 13 19.498 -1.997 -12.041 1.00 5.23 H new ATOM 0 HG21 VAL A 13 19.450 -1.406 -15.069 1.00 23.50 H new ATOM 0 HG22 VAL A 13 19.677 -3.035 -14.389 1.00 23.50 H new ATOM 0 HG23 VAL A 13 18.365 -2.731 -15.552 1.00 23.50 H new ATOM 204 N TYR A 14 15.439 -3.252 -14.671 1.00 1.34 N ATOM 205 CA TYR A 14 14.649 -3.770 -15.781 1.00 33.12 C ATOM 206 C TYR A 14 14.487 -2.717 -16.873 1.00 13.13 C ATOM 207 O TYR A 14 13.591 -1.876 -16.810 1.00 52.21 O ATOM 208 CB TYR A 14 13.274 -4.225 -15.287 1.00 41.42 C ATOM 209 CG TYR A 14 12.991 -5.687 -15.546 1.00 71.13 C ATOM 210 CD1 TYR A 14 13.256 -6.257 -16.786 1.00 34.14 C ATOM 211 CD2 TYR A 14 12.458 -6.499 -14.553 1.00 11.44 C ATOM 212 CE1 TYR A 14 12.998 -7.593 -17.027 1.00 51.32 C ATOM 213 CE2 TYR A 14 12.198 -7.835 -14.785 1.00 24.42 C ATOM 214 CZ TYR A 14 12.470 -8.378 -16.024 1.00 12.34 C ATOM 215 OH TYR A 14 12.211 -9.709 -16.259 1.00 44.43 O ATOM 0 H TYR A 14 15.072 -2.395 -14.257 1.00 1.34 H new ATOM 0 HA TYR A 14 15.178 -4.625 -16.202 1.00 33.12 H new ATOM 0 HB2 TYR A 14 13.200 -4.033 -14.217 1.00 41.42 H new ATOM 0 HB3 TYR A 14 12.506 -3.623 -15.772 1.00 41.42 H new ATOM 0 HD1 TYR A 14 13.670 -5.646 -17.574 1.00 34.14 H new ATOM 0 HD2 TYR A 14 12.243 -6.078 -13.582 1.00 11.44 H new ATOM 0 HE1 TYR A 14 13.209 -8.020 -17.996 1.00 51.32 H new ATOM 0 HE2 TYR A 14 11.784 -8.452 -14.001 1.00 24.42 H new ATOM 0 HH TYR A 14 11.842 -10.119 -15.449 1.00 44.43 H new ATOM 225 N GLU A 15 15.361 -2.771 -17.873 1.00 32.52 N ATOM 226 CA GLU A 15 15.315 -1.822 -18.979 1.00 23.41 C ATOM 227 C GLU A 15 14.417 -2.337 -20.100 1.00 44.25 C ATOM 228 O GLU A 15 14.593 -3.453 -20.589 1.00 70.33 O ATOM 229 CB GLU A 15 16.724 -1.564 -19.517 1.00 2.13 C ATOM 230 CG GLU A 15 17.379 -2.793 -20.124 1.00 72.14 C ATOM 231 CD GLU A 15 18.833 -2.561 -20.485 1.00 63.40 C ATOM 232 OE1 GLU A 15 19.126 -1.544 -21.146 1.00 44.34 O ATOM 233 OE2 GLU A 15 19.679 -3.399 -20.105 1.00 53.40 O ATOM 0 H GLU A 15 16.109 -3.461 -17.940 1.00 32.52 H new ATOM 0 HA GLU A 15 14.900 -0.886 -18.605 1.00 23.41 H new ATOM 0 HB2 GLU A 15 16.678 -0.778 -20.271 1.00 2.13 H new ATOM 0 HB3 GLU A 15 17.351 -1.192 -18.706 1.00 2.13 H new ATOM 0 HG2 GLU A 15 17.311 -3.622 -19.419 1.00 72.14 H new ATOM 0 HG3 GLU A 15 16.829 -3.089 -21.018 1.00 72.14 H new ATOM 240 N CYS A 16 13.454 -1.515 -20.503 1.00 42.34 N ATOM 241 CA CYS A 16 12.527 -1.885 -21.566 1.00 2.31 C ATOM 242 C CYS A 16 12.841 -1.124 -22.851 1.00 12.41 C ATOM 243 O CYS A 16 13.618 -0.170 -22.846 1.00 64.32 O ATOM 244 CB CYS A 16 11.086 -1.606 -21.134 1.00 21.20 C ATOM 245 SG CYS A 16 10.782 0.116 -20.624 1.00 44.13 S ATOM 0 H CYS A 16 13.295 -0.588 -20.109 1.00 42.34 H new ATOM 0 HA CYS A 16 12.641 -2.952 -21.759 1.00 2.31 H new ATOM 0 HB2 CYS A 16 10.417 -1.853 -21.958 1.00 21.20 H new ATOM 0 HB3 CYS A 16 10.831 -2.269 -20.307 1.00 21.20 H new ATOM 250 N GLY A 17 12.229 -1.552 -23.951 1.00 31.53 N ATOM 251 CA GLY A 17 12.455 -0.901 -25.227 1.00 40.25 C ATOM 252 C GLY A 17 12.417 -1.873 -26.390 1.00 34.24 C ATOM 253 O GLY A 17 13.200 -1.755 -27.332 1.00 72.04 O ATOM 0 H GLY A 17 11.580 -2.339 -23.981 1.00 31.53 H new ATOM 0 HA2 GLY A 17 11.699 -0.130 -25.377 1.00 40.25 H new ATOM 0 HA3 GLY A 17 13.422 -0.399 -25.209 1.00 40.25 H new ATOM 257 N ILE A 18 11.505 -2.837 -26.322 1.00 71.53 N ATOM 258 CA ILE A 18 11.369 -3.834 -27.377 1.00 34.30 C ATOM 259 C ILE A 18 9.910 -4.233 -27.571 1.00 73.30 C ATOM 260 O ILE A 18 9.374 -4.154 -28.677 1.00 51.10 O ATOM 261 CB ILE A 18 12.198 -5.095 -27.070 1.00 73.42 C ATOM 262 CG1 ILE A 18 13.681 -4.740 -26.949 1.00 30.22 C ATOM 263 CG2 ILE A 18 11.985 -6.145 -28.151 1.00 44.32 C ATOM 264 CD1 ILE A 18 14.298 -4.269 -28.247 1.00 54.02 C ATOM 0 H ILE A 18 10.850 -2.949 -25.548 1.00 71.53 H new ATOM 0 HA ILE A 18 11.743 -3.377 -28.293 1.00 34.30 H new ATOM 0 HB ILE A 18 11.864 -5.509 -26.118 1.00 73.42 H new ATOM 0 HG12 ILE A 18 13.799 -3.961 -26.196 1.00 30.22 H new ATOM 0 HG13 ILE A 18 14.227 -5.613 -26.592 1.00 30.22 H new ATOM 0 HG21 ILE A 18 12.577 -7.030 -27.920 1.00 44.32 H new ATOM 0 HG22 ILE A 18 10.930 -6.415 -28.193 1.00 44.32 H new ATOM 0 HG23 ILE A 18 12.295 -5.742 -29.115 1.00 44.32 H new ATOM 0 HD11 ILE A 18 15.350 -4.035 -28.086 1.00 54.02 H new ATOM 0 HD12 ILE A 18 14.212 -5.055 -28.997 1.00 54.02 H new ATOM 0 HD13 ILE A 18 13.777 -3.377 -28.595 1.00 54.02 H new ATOM 276 N THR A 19 9.270 -4.662 -26.487 1.00 52.23 N ATOM 277 CA THR A 19 7.872 -5.073 -26.537 1.00 44.32 C ATOM 278 C THR A 19 7.010 -4.201 -25.632 1.00 2.32 C ATOM 279 O THR A 19 5.828 -3.989 -25.902 1.00 45.32 O ATOM 280 CB THR A 19 7.705 -6.547 -26.122 1.00 41.43 C ATOM 281 OG1 THR A 19 8.751 -7.339 -26.695 1.00 43.35 O ATOM 282 CG2 THR A 19 6.353 -7.084 -26.567 1.00 63.03 C ATOM 0 H THR A 19 9.698 -4.734 -25.564 1.00 52.23 H new ATOM 0 HA THR A 19 7.544 -4.955 -27.570 1.00 44.32 H new ATOM 0 HB THR A 19 7.761 -6.604 -25.035 1.00 41.43 H new ATOM 0 HG1 THR A 19 8.639 -8.274 -26.425 1.00 43.35 H new ATOM 0 HG21 THR A 19 6.258 -8.126 -26.263 1.00 63.03 H new ATOM 0 HG22 THR A 19 5.559 -6.497 -26.106 1.00 63.03 H new ATOM 0 HG23 THR A 19 6.273 -7.014 -27.652 1.00 63.03 H new ATOM 290 N GLN A 20 7.609 -3.698 -24.557 1.00 43.43 N ATOM 291 CA GLN A 20 6.894 -2.848 -23.612 1.00 64.02 C ATOM 292 C GLN A 20 5.764 -3.617 -22.936 1.00 61.00 C ATOM 293 O GLN A 20 4.734 -3.894 -23.551 1.00 11.33 O ATOM 294 CB GLN A 20 6.334 -1.616 -24.324 1.00 50.25 C ATOM 295 CG GLN A 20 5.833 -0.539 -23.375 1.00 21.50 C ATOM 296 CD GLN A 20 4.469 -0.860 -22.797 1.00 54.23 C ATOM 297 OE1 GLN A 20 4.359 -1.395 -21.694 1.00 30.41 O ATOM 298 NE2 GLN A 20 3.419 -0.533 -23.542 1.00 13.45 N ATOM 0 H GLN A 20 8.587 -3.864 -24.319 1.00 43.43 H new ATOM 0 HA GLN A 20 7.599 -2.526 -22.846 1.00 64.02 H new ATOM 0 HB2 GLN A 20 7.109 -1.193 -24.964 1.00 50.25 H new ATOM 0 HB3 GLN A 20 5.516 -1.924 -24.975 1.00 50.25 H new ATOM 0 HG2 GLN A 20 6.548 -0.415 -22.562 1.00 21.50 H new ATOM 0 HG3 GLN A 20 5.784 0.413 -23.904 1.00 21.50 H new ATOM 0 HE21 GLN A 20 3.556 -0.091 -24.451 1.00 13.45 H new ATOM 0 HE22 GLN A 20 2.475 -0.724 -23.205 1.00 13.45 H new ATOM 307 N ASP A 21 5.964 -3.960 -21.668 1.00 42.42 N ATOM 308 CA ASP A 21 4.961 -4.696 -20.908 1.00 23.41 C ATOM 309 C ASP A 21 5.021 -4.327 -19.429 1.00 61.10 C ATOM 310 O ASP A 21 4.668 -5.128 -18.563 1.00 72.43 O ATOM 311 CB ASP A 21 5.166 -6.203 -21.079 1.00 13.51 C ATOM 312 CG ASP A 21 6.630 -6.594 -21.059 1.00 42.00 C ATOM 313 OD1 ASP A 21 7.157 -6.866 -19.960 1.00 3.53 O ATOM 314 OD2 ASP A 21 7.249 -6.630 -22.143 1.00 1.32 O ATOM 0 H ASP A 21 6.812 -3.740 -21.145 1.00 42.42 H new ATOM 0 HA ASP A 21 3.978 -4.424 -21.292 1.00 23.41 H new ATOM 0 HB2 ASP A 21 4.641 -6.731 -20.283 1.00 13.51 H new ATOM 0 HB3 ASP A 21 4.720 -6.523 -22.021 1.00 13.51 H new ATOM 319 N CYS A 22 5.471 -3.109 -19.146 1.00 63.42 N ATOM 320 CA CYS A 22 5.579 -2.633 -17.773 1.00 24.35 C ATOM 321 C CYS A 22 4.257 -2.806 -17.031 1.00 54.35 C ATOM 322 O CYS A 22 4.211 -3.393 -15.951 1.00 54.43 O ATOM 323 CB CYS A 22 6.000 -1.163 -17.752 1.00 2.51 C ATOM 324 SG CYS A 22 7.800 -0.903 -17.855 1.00 43.34 S ATOM 0 H CYS A 22 5.767 -2.433 -19.851 1.00 63.42 H new ATOM 0 HA CYS A 22 6.339 -3.229 -17.268 1.00 24.35 H new ATOM 0 HB2 CYS A 22 5.521 -0.647 -18.584 1.00 2.51 H new ATOM 0 HB3 CYS A 22 5.629 -0.703 -16.836 1.00 2.51 H new ATOM 329 N ASN A 23 3.183 -2.290 -17.621 1.00 11.20 N ATOM 330 CA ASN A 23 1.859 -2.386 -17.017 1.00 71.20 C ATOM 331 C ASN A 23 1.537 -3.829 -16.639 1.00 41.20 C ATOM 332 O ASN A 23 0.938 -4.090 -15.596 1.00 31.42 O ATOM 333 CB ASN A 23 0.797 -1.850 -17.979 1.00 34.12 C ATOM 334 CG ASN A 23 -0.332 -1.140 -17.256 1.00 41.12 C ATOM 335 OD1 ASN A 23 -0.817 -1.745 -16.178 1.00 65.15 O flip ATOM 336 ND2 ASN A 23 -0.762 -0.060 -17.662 1.00 53.23 N flip ATOM 0 H ASN A 23 3.204 -1.801 -18.516 1.00 11.20 H new ATOM 0 HA ASN A 23 1.856 -1.782 -16.110 1.00 71.20 H new ATOM 0 HB2 ASN A 23 1.263 -1.162 -18.684 1.00 34.12 H new ATOM 0 HB3 ASN A 23 0.389 -2.676 -18.562 1.00 34.12 H new ATOM 0 HD21 ASN A 23 -0.359 0.369 -18.495 1.00 53.23 H new ATOM 0 HD22 ASN A 23 -1.521 0.406 -17.165 1.00 53.23 H new ATOM 343 N LYS A 24 1.940 -4.763 -17.494 1.00 51.42 N ATOM 344 CA LYS A 24 1.697 -6.180 -17.251 1.00 2.42 C ATOM 345 C LYS A 24 2.486 -6.666 -16.039 1.00 71.54 C ATOM 346 O LYS A 24 1.937 -7.315 -15.148 1.00 74.30 O ATOM 347 CB LYS A 24 2.077 -7.002 -18.484 1.00 71.31 C ATOM 348 CG LYS A 24 1.278 -8.286 -18.628 1.00 63.31 C ATOM 349 CD LYS A 24 1.064 -8.649 -20.088 1.00 52.31 C ATOM 350 CE LYS A 24 0.999 -10.156 -20.285 1.00 11.44 C ATOM 351 NZ LYS A 24 1.012 -10.528 -21.726 1.00 61.03 N ATOM 0 H LYS A 24 2.437 -4.564 -18.362 1.00 51.42 H new ATOM 0 HA LYS A 24 0.634 -6.312 -17.048 1.00 2.42 H new ATOM 0 HB2 LYS A 24 1.933 -6.392 -19.376 1.00 71.31 H new ATOM 0 HB3 LYS A 24 3.138 -7.248 -18.434 1.00 71.31 H new ATOM 0 HG2 LYS A 24 1.800 -9.099 -18.123 1.00 63.31 H new ATOM 0 HG3 LYS A 24 0.312 -8.172 -18.135 1.00 63.31 H new ATOM 0 HD2 LYS A 24 0.140 -8.194 -20.445 1.00 52.31 H new ATOM 0 HD3 LYS A 24 1.875 -8.237 -20.689 1.00 52.31 H new ATOM 0 HE2 LYS A 24 1.844 -10.625 -19.781 1.00 11.44 H new ATOM 0 HE3 LYS A 24 0.094 -10.545 -19.818 1.00 11.44 H new ATOM 0 HZ1 LYS A 24 0.966 -11.563 -21.818 1.00 61.03 H new ATOM 0 HZ2 LYS A 24 0.191 -10.102 -22.202 1.00 61.03 H new ATOM 0 HZ3 LYS A 24 1.887 -10.180 -22.167 1.00 61.03 H new ATOM 365 N LEU A 25 3.775 -6.349 -16.012 1.00 44.41 N ATOM 366 CA LEU A 25 4.640 -6.752 -14.909 1.00 32.55 C ATOM 367 C LEU A 25 4.169 -6.136 -13.595 1.00 24.42 C ATOM 368 O LEU A 25 4.139 -6.803 -12.560 1.00 35.11 O ATOM 369 CB LEU A 25 6.086 -6.340 -15.190 1.00 14.43 C ATOM 370 CG LEU A 25 7.150 -6.962 -14.285 1.00 35.30 C ATOM 371 CD1 LEU A 25 7.304 -8.445 -14.585 1.00 34.34 C ATOM 372 CD2 LEU A 25 8.479 -6.242 -14.452 1.00 4.34 C ATOM 0 H LEU A 25 4.245 -5.814 -16.742 1.00 44.41 H new ATOM 0 HA LEU A 25 4.590 -7.837 -14.819 1.00 32.55 H new ATOM 0 HB2 LEU A 25 6.321 -6.597 -16.223 1.00 14.43 H new ATOM 0 HB3 LEU A 25 6.156 -5.255 -15.107 1.00 14.43 H new ATOM 0 HG LEU A 25 6.828 -6.853 -13.249 1.00 35.30 H new ATOM 0 HD11 LEU A 25 8.065 -8.871 -13.932 1.00 34.34 H new ATOM 0 HD12 LEU A 25 6.354 -8.951 -14.414 1.00 34.34 H new ATOM 0 HD13 LEU A 25 7.603 -8.577 -15.625 1.00 34.34 H new ATOM 0 HD21 LEU A 25 9.224 -6.698 -13.800 1.00 4.34 H new ATOM 0 HD22 LEU A 25 8.807 -6.320 -15.489 1.00 4.34 H new ATOM 0 HD23 LEU A 25 8.360 -5.191 -14.187 1.00 4.34 H new ATOM 384 N CYS A 26 3.802 -4.860 -13.644 1.00 34.51 N ATOM 385 CA CYS A 26 3.331 -4.154 -12.459 1.00 14.21 C ATOM 386 C CYS A 26 2.076 -4.814 -11.895 1.00 32.02 C ATOM 387 O CYS A 26 2.013 -5.144 -10.710 1.00 13.11 O ATOM 388 CB CYS A 26 3.043 -2.689 -12.794 1.00 12.01 C ATOM 389 SG CYS A 26 3.620 -1.510 -11.531 1.00 31.14 S ATOM 0 H CYS A 26 3.822 -4.294 -14.492 1.00 34.51 H new ATOM 0 HA CYS A 26 4.115 -4.200 -11.703 1.00 14.21 H new ATOM 0 HB2 CYS A 26 3.515 -2.445 -13.746 1.00 12.01 H new ATOM 0 HB3 CYS A 26 1.969 -2.563 -12.930 1.00 12.01 H new ATOM 394 N THR A 27 1.077 -5.004 -12.752 1.00 25.51 N ATOM 395 CA THR A 27 -0.176 -5.624 -12.340 1.00 62.02 C ATOM 396 C THR A 27 0.062 -7.016 -11.766 1.00 14.01 C ATOM 397 O THR A 27 -0.377 -7.323 -10.658 1.00 4.53 O ATOM 398 CB THR A 27 -1.164 -5.728 -13.517 1.00 31.30 C ATOM 399 OG1 THR A 27 -0.586 -6.501 -14.575 1.00 51.32 O ATOM 400 CG2 THR A 27 -1.536 -4.347 -14.035 1.00 73.32 C ATOM 0 H THR A 27 1.112 -4.737 -13.736 1.00 25.51 H new ATOM 0 HA THR A 27 -0.607 -4.985 -11.569 1.00 62.02 H new ATOM 0 HB THR A 27 -2.069 -6.220 -13.161 1.00 31.30 H new ATOM 0 HG1 THR A 27 0.118 -5.980 -15.014 1.00 51.32 H new ATOM 0 HG21 THR A 27 -2.235 -4.446 -14.866 1.00 73.32 H new ATOM 0 HG22 THR A 27 -2.003 -3.772 -13.235 1.00 73.32 H new ATOM 0 HG23 THR A 27 -0.638 -3.832 -14.376 1.00 73.32 H new ATOM 408 N GLU A 28 0.758 -7.854 -12.527 1.00 24.22 N ATOM 409 CA GLU A 28 1.053 -9.214 -12.092 1.00 24.43 C ATOM 410 C GLU A 28 1.742 -9.213 -10.730 1.00 0.31 C ATOM 411 O GLU A 28 1.446 -10.043 -9.872 1.00 71.20 O ATOM 412 CB GLU A 28 1.936 -9.923 -13.121 1.00 45.31 C ATOM 413 CG GLU A 28 1.260 -11.107 -13.791 1.00 23.21 C ATOM 414 CD GLU A 28 1.120 -12.299 -12.864 1.00 63.45 C ATOM 415 OE1 GLU A 28 1.647 -12.238 -11.734 1.00 70.20 O ATOM 416 OE2 GLU A 28 0.483 -13.294 -13.271 1.00 2.13 O ATOM 0 H GLU A 28 1.128 -7.615 -13.447 1.00 24.22 H new ATOM 0 HA GLU A 28 0.109 -9.751 -12.002 1.00 24.43 H new ATOM 0 HB2 GLU A 28 2.235 -9.206 -13.886 1.00 45.31 H new ATOM 0 HB3 GLU A 28 2.847 -10.265 -12.631 1.00 45.31 H new ATOM 0 HG2 GLU A 28 0.273 -10.806 -14.142 1.00 23.21 H new ATOM 0 HG3 GLU A 28 1.835 -11.400 -14.669 1.00 23.21 H new ATOM 423 N ASN A 29 2.663 -8.273 -10.540 1.00 61.53 N ATOM 424 CA ASN A 29 3.395 -8.164 -9.284 1.00 3.41 C ATOM 425 C ASN A 29 2.455 -7.812 -8.135 1.00 72.41 C ATOM 426 O ASN A 29 2.741 -8.101 -6.974 1.00 61.30 O ATOM 427 CB ASN A 29 4.494 -7.105 -9.400 1.00 53.15 C ATOM 428 CG ASN A 29 5.863 -7.715 -9.630 1.00 71.03 C ATOM 429 OD1 ASN A 29 6.651 -7.868 -8.697 1.00 42.32 O ATOM 430 ND2 ASN A 29 6.152 -8.067 -10.878 1.00 33.03 N ATOM 0 H ASN A 29 2.920 -7.577 -11.240 1.00 61.53 H new ATOM 0 HA ASN A 29 3.852 -9.131 -9.074 1.00 3.41 H new ATOM 0 HB2 ASN A 29 4.258 -6.429 -10.222 1.00 53.15 H new ATOM 0 HB3 ASN A 29 4.515 -6.506 -8.490 1.00 53.15 H new ATOM 0 HD21 ASN A 29 7.058 -8.483 -11.094 1.00 33.03 H new ATOM 0 HD22 ASN A 29 5.468 -7.922 -11.620 1.00 33.03 H new ATOM 437 N GLY A 30 1.330 -7.187 -8.468 1.00 74.14 N ATOM 438 CA GLY A 30 0.364 -6.807 -7.454 1.00 73.12 C ATOM 439 C GLY A 30 0.453 -5.338 -7.090 1.00 73.32 C ATOM 440 O GLY A 30 0.116 -4.947 -5.973 1.00 71.41 O ATOM 0 H GLY A 30 1.070 -6.937 -9.422 1.00 74.14 H new ATOM 0 HA2 GLY A 30 -0.641 -7.029 -7.813 1.00 73.12 H new ATOM 0 HA3 GLY A 30 0.524 -7.410 -6.560 1.00 73.12 H new ATOM 444 N ALA A 31 0.909 -4.523 -8.035 1.00 41.21 N ATOM 445 CA ALA A 31 1.041 -3.089 -7.808 1.00 62.02 C ATOM 446 C ALA A 31 -0.141 -2.328 -8.399 1.00 70.52 C ATOM 447 O ALA A 31 -0.914 -2.878 -9.183 1.00 13.01 O ATOM 448 CB ALA A 31 2.348 -2.579 -8.399 1.00 35.33 C ATOM 0 H ALA A 31 1.193 -4.831 -8.965 1.00 41.21 H new ATOM 0 HA ALA A 31 1.049 -2.916 -6.732 1.00 62.02 H new ATOM 0 HB1 ALA A 31 2.433 -1.507 -8.222 1.00 35.33 H new ATOM 0 HB2 ALA A 31 3.186 -3.092 -7.927 1.00 35.33 H new ATOM 0 HB3 ALA A 31 2.362 -2.772 -9.472 1.00 35.33 H new ATOM 454 N GLU A 32 -0.275 -1.062 -8.017 1.00 62.24 N ATOM 455 CA GLU A 32 -1.365 -0.228 -8.509 1.00 43.34 C ATOM 456 C GLU A 32 -1.256 -0.025 -10.018 1.00 75.21 C ATOM 457 O GLU A 32 -2.171 -0.365 -10.768 1.00 34.40 O ATOM 458 CB GLU A 32 -1.359 1.128 -7.800 1.00 41.01 C ATOM 459 CG GLU A 32 -2.457 2.066 -8.271 1.00 53.23 C ATOM 460 CD GLU A 32 -1.917 3.388 -8.782 1.00 24.31 C ATOM 461 OE1 GLU A 32 -0.822 3.387 -9.384 1.00 54.31 O ATOM 462 OE2 GLU A 32 -2.587 4.422 -8.579 1.00 63.44 O ATOM 0 H GLU A 32 0.357 -0.592 -7.369 1.00 62.24 H new ATOM 0 HA GLU A 32 -2.304 -0.738 -8.295 1.00 43.34 H new ATOM 0 HB2 GLU A 32 -1.465 0.968 -6.727 1.00 41.01 H new ATOM 0 HB3 GLU A 32 -0.392 1.606 -7.957 1.00 41.01 H new ATOM 0 HG2 GLU A 32 -3.029 1.581 -9.062 1.00 53.23 H new ATOM 0 HG3 GLU A 32 -3.147 2.253 -7.448 1.00 53.23 H new ATOM 469 N SER A 33 -0.132 0.532 -10.455 1.00 64.22 N ATOM 470 CA SER A 33 0.096 0.784 -11.873 1.00 55.24 C ATOM 471 C SER A 33 1.504 1.320 -12.111 1.00 62.30 C ATOM 472 O SER A 33 2.051 2.049 -11.285 1.00 13.31 O ATOM 473 CB SER A 33 -0.937 1.778 -12.408 1.00 12.31 C ATOM 474 OG SER A 33 -1.919 1.122 -13.192 1.00 5.21 O ATOM 0 H SER A 33 0.636 0.818 -9.847 1.00 64.22 H new ATOM 0 HA SER A 33 -0.009 -0.161 -12.406 1.00 55.24 H new ATOM 0 HB2 SER A 33 -1.416 2.292 -11.575 1.00 12.31 H new ATOM 0 HB3 SER A 33 -0.437 2.539 -13.008 1.00 12.31 H new ATOM 0 HG SER A 33 -2.336 0.409 -12.665 1.00 5.21 H new ATOM 480 N GLY A 34 2.087 0.951 -13.248 1.00 52.10 N ATOM 481 CA GLY A 34 3.427 1.403 -13.575 1.00 74.44 C ATOM 482 C GLY A 34 3.614 1.633 -15.062 1.00 13.42 C ATOM 483 O GLY A 34 2.779 1.227 -15.870 1.00 73.41 O ATOM 0 H GLY A 34 1.655 0.348 -13.948 1.00 52.10 H new ATOM 0 HA2 GLY A 34 3.636 2.328 -13.038 1.00 74.44 H new ATOM 0 HA3 GLY A 34 4.151 0.664 -13.231 1.00 74.44 H new ATOM 487 N TYR A 35 4.711 2.289 -15.423 1.00 52.15 N ATOM 488 CA TYR A 35 5.003 2.577 -16.823 1.00 13.23 C ATOM 489 C TYR A 35 6.475 2.327 -17.135 1.00 0.33 C ATOM 490 O TYR A 35 7.244 1.911 -16.268 1.00 31.24 O ATOM 491 CB TYR A 35 4.638 4.025 -17.154 1.00 4.54 C ATOM 492 CG TYR A 35 4.931 4.995 -16.031 1.00 11.10 C ATOM 493 CD1 TYR A 35 6.228 5.183 -15.570 1.00 0.14 C ATOM 494 CD2 TYR A 35 3.910 5.722 -15.431 1.00 5.40 C ATOM 495 CE1 TYR A 35 6.500 6.067 -14.544 1.00 1.44 C ATOM 496 CE2 TYR A 35 4.173 6.610 -14.406 1.00 24.14 C ATOM 497 CZ TYR A 35 5.470 6.779 -13.965 1.00 74.23 C ATOM 498 OH TYR A 35 5.735 7.661 -12.943 1.00 64.21 O ATOM 0 H TYR A 35 5.413 2.631 -14.766 1.00 52.15 H new ATOM 0 HA TYR A 35 4.402 1.908 -17.439 1.00 13.23 H new ATOM 0 HB2 TYR A 35 5.187 4.335 -18.043 1.00 4.54 H new ATOM 0 HB3 TYR A 35 3.577 4.076 -17.400 1.00 4.54 H new ATOM 0 HD1 TYR A 35 7.037 4.629 -16.021 1.00 0.14 H new ATOM 0 HD2 TYR A 35 2.894 5.591 -15.772 1.00 5.40 H new ATOM 0 HE1 TYR A 35 7.514 6.200 -14.197 1.00 1.44 H new ATOM 0 HE2 TYR A 35 3.368 7.169 -13.952 1.00 24.14 H new ATOM 0 HH TYR A 35 6.165 7.184 -12.203 1.00 64.21 H new ATOM 508 N CYS A 36 6.861 2.585 -18.380 1.00 1.23 N ATOM 509 CA CYS A 36 8.240 2.389 -18.809 1.00 45.42 C ATOM 510 C CYS A 36 8.996 3.715 -18.835 1.00 13.23 C ATOM 511 O CYS A 36 8.671 4.610 -19.615 1.00 1.14 O ATOM 512 CB CYS A 36 8.278 1.742 -20.195 1.00 22.33 C ATOM 513 SG CYS A 36 8.732 -0.022 -20.179 1.00 23.43 S ATOM 0 H CYS A 36 6.238 2.930 -19.110 1.00 1.23 H new ATOM 0 HA CYS A 36 8.726 1.727 -18.092 1.00 45.42 H new ATOM 0 HB2 CYS A 36 7.299 1.850 -20.662 1.00 22.33 H new ATOM 0 HB3 CYS A 36 8.990 2.284 -20.818 1.00 22.33 H new ATOM 518 N GLN A 37 10.004 3.832 -17.976 1.00 52.25 N ATOM 519 CA GLN A 37 10.805 5.048 -17.901 1.00 15.44 C ATOM 520 C GLN A 37 12.065 4.924 -18.750 1.00 51.32 C ATOM 521 O GLN A 37 13.149 4.652 -18.234 1.00 33.22 O ATOM 522 CB GLN A 37 11.181 5.346 -16.448 1.00 44.33 C ATOM 523 CG GLN A 37 11.423 6.822 -16.173 1.00 24.41 C ATOM 524 CD GLN A 37 10.156 7.648 -16.263 1.00 73.25 C ATOM 525 OE1 GLN A 37 9.049 7.108 -16.273 1.00 13.50 O ATOM 526 NE2 GLN A 37 10.311 8.965 -16.330 1.00 74.14 N ATOM 0 H GLN A 37 10.285 3.100 -17.323 1.00 52.25 H new ATOM 0 HA GLN A 37 10.207 5.872 -18.291 1.00 15.44 H new ATOM 0 HB2 GLN A 37 10.385 4.989 -15.795 1.00 44.33 H new ATOM 0 HB3 GLN A 37 12.080 4.785 -16.191 1.00 44.33 H new ATOM 0 HG2 GLN A 37 11.857 6.936 -15.179 1.00 24.41 H new ATOM 0 HG3 GLN A 37 12.153 7.205 -16.886 1.00 24.41 H new ATOM 0 HE21 GLN A 37 11.247 9.370 -16.319 1.00 74.14 H new ATOM 0 HE22 GLN A 37 9.494 9.572 -16.393 1.00 74.14 H new ATOM 535 N TRP A 38 11.915 5.125 -20.054 1.00 41.33 N ATOM 536 CA TRP A 38 13.042 5.035 -20.976 1.00 2.32 C ATOM 537 C TRP A 38 14.163 5.982 -20.560 1.00 15.04 C ATOM 538 O TRP A 38 15.325 5.773 -20.904 1.00 72.12 O ATOM 539 CB TRP A 38 12.589 5.357 -22.401 1.00 22.41 C ATOM 540 CG TRP A 38 12.410 4.139 -23.256 1.00 61.11 C ATOM 541 CD1 TRP A 38 12.004 2.901 -22.845 1.00 41.42 C ATOM 542 CD2 TRP A 38 12.633 4.042 -24.667 1.00 41.20 C ATOM 543 NE1 TRP A 38 11.961 2.041 -23.916 1.00 2.12 N ATOM 544 CE2 TRP A 38 12.342 2.717 -25.045 1.00 33.20 C ATOM 545 CE3 TRP A 38 13.048 4.946 -25.648 1.00 43.42 C ATOM 546 CZ2 TRP A 38 12.454 2.277 -26.361 1.00 63.40 C ATOM 547 CZ3 TRP A 38 13.160 4.508 -26.954 1.00 31.22 C ATOM 548 CH2 TRP A 38 12.863 3.183 -27.301 1.00 41.11 C ATOM 0 H TRP A 38 11.025 5.351 -20.497 1.00 41.33 H new ATOM 0 HA TRP A 38 13.423 4.014 -20.945 1.00 2.32 H new ATOM 0 HB2 TRP A 38 11.648 5.905 -22.360 1.00 22.41 H new ATOM 0 HB3 TRP A 38 13.322 6.015 -22.868 1.00 22.41 H new ATOM 0 HD1 TRP A 38 11.754 2.637 -21.828 1.00 41.42 H new ATOM 0 HE1 TRP A 38 11.689 1.059 -23.877 1.00 2.12 H new ATOM 0 HE3 TRP A 38 13.277 5.969 -25.390 1.00 43.42 H new ATOM 0 HZ2 TRP A 38 12.226 1.256 -26.630 1.00 63.40 H new ATOM 0 HZ3 TRP A 38 13.482 5.198 -27.720 1.00 31.22 H new ATOM 0 HH2 TRP A 38 12.959 2.871 -28.331 1.00 41.11 H new ATOM 559 N GLY A 39 13.805 7.025 -19.816 1.00 21.32 N ATOM 560 CA GLY A 39 14.793 7.988 -19.365 1.00 73.31 C ATOM 561 C GLY A 39 14.464 8.559 -18.000 1.00 44.20 C ATOM 562 O GLY A 39 13.709 9.523 -17.888 1.00 54.44 O ATOM 0 H GLY A 39 12.849 7.220 -19.518 1.00 21.32 H new ATOM 0 HA2 GLY A 39 15.772 7.510 -19.329 1.00 73.31 H new ATOM 0 HA3 GLY A 39 14.861 8.800 -20.089 1.00 73.31 H new ATOM 566 N GLY A 40 15.033 7.962 -16.957 1.00 63.53 N ATOM 567 CA GLY A 40 14.783 8.430 -15.607 1.00 21.44 C ATOM 568 C GLY A 40 16.025 8.387 -14.739 1.00 3.20 C ATOM 569 O GLY A 40 17.144 8.528 -15.235 1.00 15.44 O ATOM 0 H GLY A 40 15.663 7.162 -17.023 1.00 63.53 H new ATOM 0 HA2 GLY A 40 14.405 9.452 -15.644 1.00 21.44 H new ATOM 0 HA3 GLY A 40 14.004 7.818 -15.152 1.00 21.44 H new ATOM 573 N LYS A 41 15.831 8.194 -13.439 1.00 33.11 N ATOM 574 CA LYS A 41 16.944 8.134 -12.499 1.00 35.33 C ATOM 575 C LYS A 41 18.001 7.141 -12.971 1.00 2.15 C ATOM 576 O LYS A 41 19.176 7.487 -13.103 1.00 34.43 O ATOM 577 CB LYS A 41 16.442 7.738 -11.108 1.00 2.31 C ATOM 578 CG LYS A 41 17.041 8.569 -9.987 1.00 1.55 C ATOM 579 CD LYS A 41 18.407 8.047 -9.574 1.00 0.23 C ATOM 580 CE LYS A 41 18.906 8.730 -8.309 1.00 60.05 C ATOM 581 NZ LYS A 41 20.393 8.721 -8.224 1.00 33.20 N ATOM 0 H LYS A 41 14.912 8.076 -13.012 1.00 33.11 H new ATOM 0 HA LYS A 41 17.398 9.124 -12.447 1.00 35.33 H new ATOM 0 HB2 LYS A 41 15.357 7.835 -11.081 1.00 2.31 H new ATOM 0 HB3 LYS A 41 16.672 6.687 -10.933 1.00 2.31 H new ATOM 0 HG2 LYS A 41 17.129 9.607 -10.309 1.00 1.55 H new ATOM 0 HG3 LYS A 41 16.371 8.558 -9.127 1.00 1.55 H new ATOM 0 HD2 LYS A 41 18.352 6.971 -9.410 1.00 0.23 H new ATOM 0 HD3 LYS A 41 19.120 8.210 -10.382 1.00 0.23 H new ATOM 0 HE2 LYS A 41 18.547 9.759 -8.286 1.00 60.05 H new ATOM 0 HE3 LYS A 41 18.489 8.227 -7.436 1.00 60.05 H new ATOM 0 HZ1 LYS A 41 20.694 9.195 -7.349 1.00 33.20 H new ATOM 0 HZ2 LYS A 41 20.735 7.739 -8.220 1.00 33.20 H new ATOM 0 HZ3 LYS A 41 20.791 9.223 -9.044 1.00 33.20 H new ATOM 595 N TYR A 42 17.577 5.908 -13.224 1.00 44.02 N ATOM 596 CA TYR A 42 18.489 4.865 -13.681 1.00 14.34 C ATOM 597 C TYR A 42 18.470 4.754 -15.202 1.00 65.40 C ATOM 598 O TYR A 42 18.789 3.706 -15.763 1.00 33.11 O ATOM 599 CB TYR A 42 18.113 3.521 -13.055 1.00 22.02 C ATOM 600 CG TYR A 42 18.414 3.437 -11.575 1.00 61.55 C ATOM 601 CD1 TYR A 42 19.711 3.586 -11.100 1.00 40.34 C ATOM 602 CD2 TYR A 42 17.401 3.208 -10.653 1.00 33.04 C ATOM 603 CE1 TYR A 42 19.990 3.509 -9.750 1.00 3.02 C ATOM 604 CE2 TYR A 42 17.671 3.131 -9.300 1.00 34.31 C ATOM 605 CZ TYR A 42 18.967 3.281 -8.854 1.00 11.45 C ATOM 606 OH TYR A 42 19.241 3.205 -7.507 1.00 51.32 O ATOM 0 H TYR A 42 16.608 5.606 -13.121 1.00 44.02 H new ATOM 0 HA TYR A 42 19.497 5.135 -13.367 1.00 14.34 H new ATOM 0 HB2 TYR A 42 17.049 3.342 -13.212 1.00 22.02 H new ATOM 0 HB3 TYR A 42 18.650 2.726 -13.572 1.00 22.02 H new ATOM 0 HD1 TYR A 42 20.515 3.765 -11.799 1.00 40.34 H new ATOM 0 HD2 TYR A 42 16.385 3.088 -10.999 1.00 33.04 H new ATOM 0 HE1 TYR A 42 21.004 3.627 -9.398 1.00 3.02 H new ATOM 0 HE2 TYR A 42 16.871 2.954 -8.596 1.00 34.31 H new ATOM 0 HH TYR A 42 18.411 3.041 -7.013 1.00 51.32 H new ATOM 616 N GLY A 43 18.096 5.844 -15.865 1.00 34.24 N ATOM 617 CA GLY A 43 18.043 5.849 -17.315 1.00 31.11 C ATOM 618 C GLY A 43 16.851 5.083 -17.854 1.00 64.25 C ATOM 619 O GLY A 43 15.711 5.351 -17.479 1.00 40.12 O ATOM 0 H GLY A 43 17.829 6.724 -15.424 1.00 34.24 H new ATOM 0 HA2 GLY A 43 18.000 6.879 -17.670 1.00 31.11 H new ATOM 0 HA3 GLY A 43 18.960 5.413 -17.711 1.00 31.11 H new ATOM 623 N ASN A 44 17.116 4.127 -18.739 1.00 71.03 N ATOM 624 CA ASN A 44 16.056 3.321 -19.334 1.00 34.15 C ATOM 625 C ASN A 44 15.650 2.183 -18.402 1.00 24.22 C ATOM 626 O ASN A 44 16.209 1.088 -18.464 1.00 33.15 O ATOM 627 CB ASN A 44 16.511 2.755 -20.680 1.00 54.03 C ATOM 628 CG ASN A 44 15.377 2.669 -21.684 1.00 30.01 C ATOM 629 OD1 ASN A 44 14.375 1.993 -21.449 1.00 0.30 O ATOM 630 ND2 ASN A 44 15.531 3.355 -22.810 1.00 51.14 N ATOM 0 H ASN A 44 18.055 3.892 -19.060 1.00 71.03 H new ATOM 0 HA ASN A 44 15.190 3.964 -19.492 1.00 34.15 H new ATOM 0 HB2 ASN A 44 17.305 3.382 -21.085 1.00 54.03 H new ATOM 0 HB3 ASN A 44 16.935 1.762 -20.529 1.00 54.03 H new ATOM 0 HD21 ASN A 44 14.802 3.335 -23.523 1.00 51.14 H new ATOM 0 HD22 ASN A 44 16.378 3.902 -22.962 1.00 51.14 H new ATOM 637 N ALA A 45 14.675 2.450 -17.540 1.00 10.14 N ATOM 638 CA ALA A 45 14.193 1.448 -16.597 1.00 11.31 C ATOM 639 C ALA A 45 12.679 1.530 -16.436 1.00 33.22 C ATOM 640 O ALA A 45 12.069 2.561 -16.719 1.00 15.22 O ATOM 641 CB ALA A 45 14.879 1.618 -15.249 1.00 51.25 C ATOM 0 H ALA A 45 14.203 3.352 -17.475 1.00 10.14 H new ATOM 0 HA ALA A 45 14.437 0.463 -16.995 1.00 11.31 H new ATOM 0 HB1 ALA A 45 14.509 0.863 -14.555 1.00 51.25 H new ATOM 0 HB2 ALA A 45 15.956 1.502 -15.372 1.00 51.25 H new ATOM 0 HB3 ALA A 45 14.664 2.611 -14.854 1.00 51.25 H new ATOM 647 N CYS A 46 12.077 0.436 -15.980 1.00 42.02 N ATOM 648 CA CYS A 46 10.634 0.383 -15.782 1.00 72.43 C ATOM 649 C CYS A 46 10.256 0.892 -14.394 1.00 72.14 C ATOM 650 O CYS A 46 10.813 0.453 -13.388 1.00 73.12 O ATOM 651 CB CYS A 46 10.125 -1.048 -15.969 1.00 20.24 C ATOM 652 SG CYS A 46 8.315 -1.216 -15.846 1.00 42.42 S ATOM 0 H CYS A 46 12.567 -0.426 -15.741 1.00 42.02 H new ATOM 0 HA CYS A 46 10.166 1.028 -16.526 1.00 72.43 H new ATOM 0 HB2 CYS A 46 10.447 -1.412 -16.944 1.00 20.24 H new ATOM 0 HB3 CYS A 46 10.590 -1.688 -15.220 1.00 20.24 H new ATOM 657 N TRP A 47 9.307 1.820 -14.349 1.00 74.43 N ATOM 658 CA TRP A 47 8.854 2.389 -13.085 1.00 72.40 C ATOM 659 C TRP A 47 7.482 1.844 -12.704 1.00 15.54 C ATOM 660 O TRP A 47 6.648 1.573 -13.568 1.00 60.14 O ATOM 661 CB TRP A 47 8.803 3.915 -13.178 1.00 22.50 C ATOM 662 CG TRP A 47 8.194 4.563 -11.972 1.00 52.21 C ATOM 663 CD1 TRP A 47 6.863 4.686 -11.692 1.00 52.33 C ATOM 664 CD2 TRP A 47 8.893 5.179 -10.885 1.00 10.00 C ATOM 665 NE1 TRP A 47 6.692 5.342 -10.497 1.00 24.34 N ATOM 666 CE2 TRP A 47 7.922 5.654 -9.981 1.00 64.31 C ATOM 667 CE3 TRP A 47 10.244 5.374 -10.586 1.00 60.21 C ATOM 668 CZ2 TRP A 47 8.262 6.311 -8.802 1.00 24.03 C ATOM 669 CZ3 TRP A 47 10.580 6.027 -9.415 1.00 72.43 C ATOM 670 CH2 TRP A 47 9.593 6.488 -8.534 1.00 53.13 C ATOM 0 H TRP A 47 8.836 2.194 -15.173 1.00 74.43 H new ATOM 0 HA TRP A 47 9.566 2.103 -12.310 1.00 72.40 H new ATOM 0 HB2 TRP A 47 9.814 4.298 -13.315 1.00 22.50 H new ATOM 0 HB3 TRP A 47 8.232 4.199 -14.062 1.00 22.50 H new ATOM 0 HD1 TRP A 47 6.062 4.321 -12.318 1.00 52.33 H new ATOM 0 HE1 TRP A 47 5.795 5.561 -10.064 1.00 24.34 H new ATOM 0 HE3 TRP A 47 11.012 5.021 -11.258 1.00 60.21 H new ATOM 0 HZ2 TRP A 47 7.503 6.669 -8.122 1.00 24.03 H new ATOM 0 HZ3 TRP A 47 11.621 6.185 -9.175 1.00 72.43 H new ATOM 0 HH2 TRP A 47 9.888 6.993 -7.626 1.00 53.13 H new ATOM 681 N CYS A 48 7.252 1.687 -11.404 1.00 44.32 N ATOM 682 CA CYS A 48 5.981 1.175 -10.908 1.00 11.22 C ATOM 683 C CYS A 48 5.471 2.020 -9.744 1.00 50.52 C ATOM 684 O CYS A 48 6.257 2.551 -8.958 1.00 55.34 O ATOM 685 CB CYS A 48 6.131 -0.282 -10.467 1.00 4.05 C ATOM 686 SG CYS A 48 5.713 -1.497 -11.758 1.00 4.11 S ATOM 0 H CYS A 48 7.931 1.908 -10.675 1.00 44.32 H new ATOM 0 HA CYS A 48 5.255 1.229 -11.719 1.00 11.22 H new ATOM 0 HB2 CYS A 48 7.159 -0.449 -10.145 1.00 4.05 H new ATOM 0 HB3 CYS A 48 5.494 -0.455 -9.600 1.00 4.05 H new ATOM 691 N ILE A 49 4.152 2.140 -9.641 1.00 13.32 N ATOM 692 CA ILE A 49 3.537 2.919 -8.573 1.00 3.30 C ATOM 693 C ILE A 49 2.752 2.024 -7.621 1.00 75.43 C ATOM 694 O ILE A 49 1.871 1.273 -8.042 1.00 31.01 O ATOM 695 CB ILE A 49 2.597 4.002 -9.135 1.00 70.33 C ATOM 696 CG1 ILE A 49 3.316 4.828 -10.203 1.00 42.41 C ATOM 697 CG2 ILE A 49 2.092 4.898 -8.015 1.00 14.31 C ATOM 698 CD1 ILE A 49 2.582 4.878 -11.525 1.00 23.11 C ATOM 0 H ILE A 49 3.488 1.708 -10.284 1.00 13.32 H new ATOM 0 HA ILE A 49 4.348 3.401 -8.028 1.00 3.30 H new ATOM 0 HB ILE A 49 1.739 3.514 -9.597 1.00 70.33 H new ATOM 0 HG12 ILE A 49 3.452 5.844 -9.834 1.00 42.41 H new ATOM 0 HG13 ILE A 49 4.310 4.412 -10.364 1.00 42.41 H new ATOM 0 HG21 ILE A 49 1.429 5.658 -8.428 1.00 14.31 H new ATOM 0 HG22 ILE A 49 1.547 4.298 -7.287 1.00 14.31 H new ATOM 0 HG23 ILE A 49 2.938 5.381 -7.526 1.00 14.31 H new ATOM 0 HD11 ILE A 49 3.150 5.481 -12.234 1.00 23.11 H new ATOM 0 HD12 ILE A 49 2.469 3.867 -11.917 1.00 23.11 H new ATOM 0 HD13 ILE A 49 1.598 5.322 -11.378 1.00 23.11 H new ATOM 710 N LYS A 50 3.075 2.109 -6.335 1.00 75.13 N ATOM 711 CA LYS A 50 2.398 1.309 -5.321 1.00 53.03 C ATOM 712 C LYS A 50 2.707 -0.174 -5.502 1.00 0.41 C ATOM 713 O LYS A 50 1.914 -0.918 -6.080 1.00 13.11 O ATOM 714 CB LYS A 50 0.886 1.537 -5.388 1.00 11.35 C ATOM 715 CG LYS A 50 0.501 2.962 -5.747 1.00 0.04 C ATOM 716 CD LYS A 50 -0.920 3.282 -5.313 1.00 4.13 C ATOM 717 CE LYS A 50 -0.940 4.096 -4.028 1.00 20.22 C ATOM 718 NZ LYS A 50 -1.961 3.592 -3.068 1.00 73.13 N ATOM 0 H LYS A 50 3.802 2.724 -5.970 1.00 75.13 H new ATOM 0 HA LYS A 50 2.764 1.622 -4.343 1.00 53.03 H new ATOM 0 HB2 LYS A 50 0.457 0.857 -6.124 1.00 11.35 H new ATOM 0 HB3 LYS A 50 0.446 1.282 -4.424 1.00 11.35 H new ATOM 0 HG2 LYS A 50 1.193 3.657 -5.272 1.00 0.04 H new ATOM 0 HG3 LYS A 50 0.595 3.105 -6.824 1.00 0.04 H new ATOM 0 HD2 LYS A 50 -1.427 3.835 -6.103 1.00 4.13 H new ATOM 0 HD3 LYS A 50 -1.474 2.355 -5.167 1.00 4.13 H new ATOM 0 HE2 LYS A 50 0.045 4.063 -3.562 1.00 20.22 H new ATOM 0 HE3 LYS A 50 -1.146 5.140 -4.263 1.00 20.22 H new ATOM 0 HZ1 LYS A 50 -1.943 4.173 -2.206 1.00 73.13 H new ATOM 0 HZ2 LYS A 50 -2.904 3.647 -3.503 1.00 73.13 H new ATOM 0 HZ3 LYS A 50 -1.750 2.603 -2.824 1.00 73.13 H new ATOM 732 N LEU A 51 3.863 -0.597 -5.003 1.00 62.04 N ATOM 733 CA LEU A 51 4.277 -1.992 -5.108 1.00 73.14 C ATOM 734 C LEU A 51 4.353 -2.643 -3.731 1.00 11.42 C ATOM 735 O LEU A 51 4.750 -2.021 -2.745 1.00 32.21 O ATOM 736 CB LEU A 51 5.634 -2.091 -5.807 1.00 73.15 C ATOM 737 CG LEU A 51 5.737 -3.125 -6.929 1.00 21.52 C ATOM 738 CD1 LEU A 51 6.287 -2.487 -8.195 1.00 32.01 C ATOM 739 CD2 LEU A 51 6.610 -4.295 -6.497 1.00 13.01 C ATOM 0 H LEU A 51 4.530 0.006 -4.522 1.00 62.04 H new ATOM 0 HA LEU A 51 3.531 -2.523 -5.700 1.00 73.14 H new ATOM 0 HB2 LEU A 51 5.881 -1.112 -6.218 1.00 73.15 H new ATOM 0 HB3 LEU A 51 6.391 -2.321 -5.057 1.00 73.15 H new ATOM 0 HG LEU A 51 4.737 -3.502 -7.142 1.00 21.52 H new ATOM 0 HD11 LEU A 51 6.353 -3.238 -8.982 1.00 32.01 H new ATOM 0 HD12 LEU A 51 5.624 -1.683 -8.515 1.00 32.01 H new ATOM 0 HD13 LEU A 51 7.279 -2.081 -7.997 1.00 32.01 H new ATOM 0 HD21 LEU A 51 6.672 -5.021 -7.307 1.00 13.01 H new ATOM 0 HD22 LEU A 51 7.610 -3.934 -6.256 1.00 13.01 H new ATOM 0 HD23 LEU A 51 6.174 -4.769 -5.618 1.00 13.01 H new ATOM 751 N PRO A 52 3.966 -3.925 -3.659 1.00 52.14 N ATOM 752 CA PRO A 52 3.984 -4.689 -2.408 1.00 52.34 C ATOM 753 C PRO A 52 5.401 -4.988 -1.932 1.00 42.12 C ATOM 754 O PRO A 52 6.323 -5.114 -2.738 1.00 44.21 O ATOM 755 CB PRO A 52 3.258 -5.986 -2.774 1.00 54.42 C ATOM 756 CG PRO A 52 3.452 -6.127 -4.244 1.00 62.04 C ATOM 757 CD PRO A 52 3.481 -4.728 -4.795 1.00 4.03 C ATOM 0 HA PRO A 52 3.519 -4.141 -1.589 1.00 52.34 H new ATOM 0 HB2 PRO A 52 3.674 -6.838 -2.236 1.00 54.42 H new ATOM 0 HB3 PRO A 52 2.200 -5.933 -2.518 1.00 54.42 H new ATOM 0 HG2 PRO A 52 4.380 -6.653 -4.466 1.00 62.04 H new ATOM 0 HG3 PRO A 52 2.643 -6.705 -4.690 1.00 62.04 H new ATOM 0 HD2 PRO A 52 4.145 -4.649 -5.656 1.00 4.03 H new ATOM 0 HD3 PRO A 52 2.493 -4.405 -5.123 1.00 4.03 H new ATOM 765 N ASP A 53 5.568 -5.101 -0.619 1.00 75.11 N ATOM 766 CA ASP A 53 6.873 -5.387 -0.036 1.00 20.33 C ATOM 767 C ASP A 53 7.445 -6.687 -0.594 1.00 51.54 C ATOM 768 O ASP A 53 8.660 -6.840 -0.716 1.00 2.04 O ATOM 769 CB ASP A 53 6.766 -5.476 1.487 1.00 23.05 C ATOM 770 CG ASP A 53 7.907 -4.766 2.190 1.00 32.11 C ATOM 771 OD1 ASP A 53 8.365 -3.725 1.674 1.00 33.33 O ATOM 772 OD2 ASP A 53 8.342 -5.252 3.255 1.00 10.24 O ATOM 0 H ASP A 53 4.815 -4.999 0.062 1.00 75.11 H new ATOM 0 HA ASP A 53 7.547 -4.572 -0.299 1.00 20.33 H new ATOM 0 HB2 ASP A 53 5.819 -5.042 1.808 1.00 23.05 H new ATOM 0 HB3 ASP A 53 6.754 -6.524 1.787 1.00 23.05 H new ATOM 777 N SER A 54 6.560 -7.619 -0.932 1.00 65.53 N ATOM 778 CA SER A 54 6.977 -8.908 -1.474 1.00 3.34 C ATOM 779 C SER A 54 7.970 -8.721 -2.617 1.00 4.03 C ATOM 780 O SER A 54 8.839 -9.563 -2.844 1.00 31.41 O ATOM 781 CB SER A 54 5.761 -9.697 -1.963 1.00 44.31 C ATOM 782 OG SER A 54 5.059 -10.276 -0.877 1.00 72.35 O ATOM 0 H SER A 54 5.550 -7.506 -0.840 1.00 65.53 H new ATOM 0 HA SER A 54 7.468 -9.468 -0.678 1.00 3.34 H new ATOM 0 HB2 SER A 54 5.096 -9.037 -2.520 1.00 44.31 H new ATOM 0 HB3 SER A 54 6.083 -10.479 -2.650 1.00 44.31 H new ATOM 0 HG SER A 54 4.285 -10.773 -1.215 1.00 72.35 H new ATOM 788 N VAL A 55 7.835 -7.610 -3.334 1.00 63.10 N ATOM 789 CA VAL A 55 8.720 -7.310 -4.453 1.00 63.43 C ATOM 790 C VAL A 55 9.363 -5.937 -4.293 1.00 71.25 C ATOM 791 O VAL A 55 8.870 -4.931 -4.804 1.00 5.34 O ATOM 792 CB VAL A 55 7.965 -7.359 -5.795 1.00 12.43 C ATOM 793 CG1 VAL A 55 8.871 -6.919 -6.934 1.00 63.34 C ATOM 794 CG2 VAL A 55 7.416 -8.755 -6.047 1.00 0.22 C ATOM 0 H VAL A 55 7.121 -6.903 -3.160 1.00 63.10 H new ATOM 0 HA VAL A 55 9.498 -8.074 -4.455 1.00 63.43 H new ATOM 0 HB VAL A 55 7.124 -6.667 -5.744 1.00 12.43 H new ATOM 0 HG11 VAL A 55 8.320 -6.960 -7.874 1.00 63.34 H new ATOM 0 HG12 VAL A 55 9.209 -5.898 -6.756 1.00 63.34 H new ATOM 0 HG13 VAL A 55 9.734 -7.583 -6.990 1.00 63.34 H new ATOM 0 HG21 VAL A 55 6.886 -8.771 -6.999 1.00 0.22 H new ATOM 0 HG22 VAL A 55 8.239 -9.469 -6.078 1.00 0.22 H new ATOM 0 HG23 VAL A 55 6.730 -9.026 -5.245 1.00 0.22 H new ATOM 804 N PRO A 56 10.490 -5.892 -3.568 1.00 64.44 N ATOM 805 CA PRO A 56 11.226 -4.648 -3.325 1.00 62.10 C ATOM 806 C PRO A 56 11.900 -4.117 -4.586 1.00 13.23 C ATOM 807 O PRO A 56 12.574 -4.859 -5.300 1.00 70.32 O ATOM 808 CB PRO A 56 12.277 -5.054 -2.288 1.00 75.02 C ATOM 809 CG PRO A 56 12.470 -6.516 -2.498 1.00 24.22 C ATOM 810 CD PRO A 56 11.134 -7.053 -2.931 1.00 22.23 C ATOM 0 HA PRO A 56 10.569 -3.844 -2.994 1.00 62.10 H new ATOM 0 HB2 PRO A 56 13.208 -4.507 -2.433 1.00 75.02 H new ATOM 0 HB3 PRO A 56 11.937 -4.841 -1.275 1.00 75.02 H new ATOM 0 HG2 PRO A 56 13.230 -6.704 -3.256 1.00 24.22 H new ATOM 0 HG3 PRO A 56 12.807 -7.001 -1.582 1.00 24.22 H new ATOM 0 HD2 PRO A 56 11.242 -7.885 -3.627 1.00 22.23 H new ATOM 0 HD3 PRO A 56 10.554 -7.419 -2.084 1.00 22.23 H new ATOM 818 N ILE A 57 11.713 -2.829 -4.853 1.00 1.34 N ATOM 819 CA ILE A 57 12.304 -2.199 -6.027 1.00 4.24 C ATOM 820 C ILE A 57 13.816 -2.399 -6.055 1.00 51.11 C ATOM 821 O ILE A 57 14.387 -3.021 -5.160 1.00 31.45 O ATOM 822 CB ILE A 57 11.997 -0.690 -6.071 1.00 74.43 C ATOM 823 CG1 ILE A 57 12.373 -0.031 -4.743 1.00 31.33 C ATOM 824 CG2 ILE A 57 10.526 -0.459 -6.386 1.00 22.00 C ATOM 825 CD1 ILE A 57 13.849 0.275 -4.617 1.00 32.23 C ATOM 0 H ILE A 57 11.157 -2.201 -4.272 1.00 1.34 H new ATOM 0 HA ILE A 57 11.859 -2.678 -6.900 1.00 4.24 H new ATOM 0 HB ILE A 57 12.594 -0.235 -6.861 1.00 74.43 H new ATOM 0 HG12 ILE A 57 11.808 0.894 -4.633 1.00 31.33 H new ATOM 0 HG13 ILE A 57 12.075 -0.686 -3.924 1.00 31.33 H new ATOM 0 HG21 ILE A 57 10.324 0.612 -6.414 1.00 22.00 H new ATOM 0 HG22 ILE A 57 10.288 -0.899 -7.355 1.00 22.00 H new ATOM 0 HG23 ILE A 57 9.911 -0.924 -5.615 1.00 22.00 H new ATOM 0 HD11 ILE A 57 14.043 0.741 -3.651 1.00 32.23 H new ATOM 0 HD12 ILE A 57 14.420 -0.650 -4.695 1.00 32.23 H new ATOM 0 HD13 ILE A 57 14.149 0.955 -5.414 1.00 32.23 H new ATOM 837 N ARG A 58 14.458 -1.865 -7.089 1.00 24.41 N ATOM 838 CA ARG A 58 15.904 -1.985 -7.234 1.00 42.40 C ATOM 839 C ARG A 58 16.627 -1.168 -6.167 1.00 31.25 C ATOM 840 O ARG A 58 16.518 0.057 -6.128 1.00 1.42 O ATOM 841 CB ARG A 58 16.338 -1.522 -8.626 1.00 43.00 C ATOM 842 CG ARG A 58 17.359 -2.438 -9.281 1.00 42.33 C ATOM 843 CD ARG A 58 18.748 -2.232 -8.698 1.00 2.53 C ATOM 844 NE ARG A 58 19.777 -2.910 -9.481 1.00 23.12 N ATOM 845 CZ ARG A 58 21.045 -3.010 -9.098 1.00 64.32 C ATOM 846 NH1 ARG A 58 21.438 -2.479 -7.949 1.00 4.02 N ATOM 847 NH2 ARG A 58 21.923 -3.644 -9.866 1.00 2.43 N ATOM 0 H ARG A 58 14.000 -1.346 -7.838 1.00 24.41 H new ATOM 0 HA ARG A 58 16.171 -3.034 -7.107 1.00 42.40 H new ATOM 0 HB2 ARG A 58 15.459 -1.454 -9.267 1.00 43.00 H new ATOM 0 HB3 ARG A 58 16.757 -0.519 -8.552 1.00 43.00 H new ATOM 0 HG2 ARG A 58 17.057 -3.477 -9.146 1.00 42.33 H new ATOM 0 HG3 ARG A 58 17.382 -2.250 -10.354 1.00 42.33 H new ATOM 0 HD2 ARG A 58 18.969 -1.165 -8.656 1.00 2.53 H new ATOM 0 HD3 ARG A 58 18.769 -2.603 -7.673 1.00 2.53 H new ATOM 0 HE ARG A 58 19.508 -3.330 -10.371 1.00 23.12 H new ATOM 0 HH11 ARG A 58 20.766 -1.992 -7.356 1.00 4.02 H new ATOM 0 HH12 ARG A 58 22.412 -2.558 -7.658 1.00 4.02 H new ATOM 0 HH21 ARG A 58 21.624 -4.055 -10.751 1.00 2.43 H new ATOM 0 HH22 ARG A 58 22.897 -3.721 -9.571 1.00 2.43 H new ATOM 861 N VAL A 59 17.365 -1.856 -5.301 1.00 73.50 N ATOM 862 CA VAL A 59 18.106 -1.196 -4.233 1.00 52.23 C ATOM 863 C VAL A 59 19.526 -0.862 -4.675 1.00 41.24 C ATOM 864 O VAL A 59 20.079 -1.475 -5.589 1.00 11.12 O ATOM 865 CB VAL A 59 18.166 -2.071 -2.967 1.00 64.14 C ATOM 866 CG1 VAL A 59 16.801 -2.141 -2.300 1.00 41.05 C ATOM 867 CG2 VAL A 59 18.675 -3.464 -3.307 1.00 51.01 C ATOM 0 H VAL A 59 17.465 -2.871 -5.319 1.00 73.50 H new ATOM 0 HA VAL A 59 17.574 -0.273 -4.002 1.00 52.23 H new ATOM 0 HB VAL A 59 18.863 -1.615 -2.264 1.00 64.14 H new ATOM 0 HG11 VAL A 59 16.864 -2.764 -1.407 1.00 41.05 H new ATOM 0 HG12 VAL A 59 16.481 -1.137 -2.021 1.00 41.05 H new ATOM 0 HG13 VAL A 59 16.079 -2.572 -2.993 1.00 41.05 H new ATOM 0 HG21 VAL A 59 18.711 -4.069 -2.401 1.00 51.01 H new ATOM 0 HG22 VAL A 59 18.004 -3.930 -4.029 1.00 51.01 H new ATOM 0 HG23 VAL A 59 19.675 -3.392 -3.735 1.00 51.01 H new ATOM 877 N PRO A 60 20.133 0.134 -4.013 1.00 23.11 N ATOM 878 CA PRO A 60 21.498 0.572 -4.319 1.00 62.13 C ATOM 879 C PRO A 60 22.543 -0.464 -3.918 1.00 41.31 C ATOM 880 O PRO A 60 22.860 -0.615 -2.739 1.00 63.32 O ATOM 881 CB PRO A 60 21.658 1.845 -3.484 1.00 24.50 C ATOM 882 CG PRO A 60 20.698 1.681 -2.357 1.00 1.12 C ATOM 883 CD PRO A 60 19.534 0.909 -2.913 1.00 62.51 C ATOM 0 HA PRO A 60 21.647 0.726 -5.388 1.00 62.13 H new ATOM 0 HB2 PRO A 60 22.680 1.955 -3.121 1.00 24.50 H new ATOM 0 HB3 PRO A 60 21.431 2.735 -4.071 1.00 24.50 H new ATOM 0 HG2 PRO A 60 21.159 1.147 -1.526 1.00 1.12 H new ATOM 0 HG3 PRO A 60 20.377 2.650 -1.974 1.00 1.12 H new ATOM 0 HD2 PRO A 60 19.087 0.259 -2.161 1.00 62.51 H new ATOM 0 HD3 PRO A 60 18.746 1.572 -3.271 1.00 62.51 H new ATOM 891 N GLY A 61 23.076 -1.175 -4.908 1.00 13.34 N ATOM 892 CA GLY A 61 24.080 -2.187 -4.637 1.00 12.23 C ATOM 893 C GLY A 61 24.471 -2.963 -5.879 1.00 13.31 C ATOM 894 O GLY A 61 24.295 -2.485 -7.000 1.00 11.11 O ATOM 0 H GLY A 61 22.830 -1.068 -5.892 1.00 13.34 H new ATOM 0 HA2 GLY A 61 24.966 -1.712 -4.215 1.00 12.23 H new ATOM 0 HA3 GLY A 61 23.701 -2.879 -3.885 1.00 12.23 H new ATOM 898 N LYS A 62 25.004 -4.163 -5.681 1.00 23.40 N ATOM 899 CA LYS A 62 25.422 -5.008 -6.793 1.00 63.24 C ATOM 900 C LYS A 62 24.293 -5.940 -7.223 1.00 44.55 C ATOM 901 O LYS A 62 23.317 -6.126 -6.496 1.00 44.22 O ATOM 902 CB LYS A 62 26.654 -5.829 -6.403 1.00 52.40 C ATOM 903 CG LYS A 62 27.921 -5.406 -7.126 1.00 54.25 C ATOM 904 CD LYS A 62 29.129 -6.185 -6.636 1.00 63.21 C ATOM 905 CE LYS A 62 30.373 -5.853 -7.446 1.00 71.15 C ATOM 906 NZ LYS A 62 31.452 -6.860 -7.245 1.00 13.45 N ATOM 0 H LYS A 62 25.157 -4.573 -4.760 1.00 23.40 H new ATOM 0 HA LYS A 62 25.675 -4.361 -7.632 1.00 63.24 H new ATOM 0 HB2 LYS A 62 26.813 -5.742 -5.328 1.00 52.40 H new ATOM 0 HB3 LYS A 62 26.460 -6.881 -6.612 1.00 52.40 H new ATOM 0 HG2 LYS A 62 27.798 -5.560 -8.198 1.00 54.25 H new ATOM 0 HG3 LYS A 62 28.089 -4.340 -6.974 1.00 54.25 H new ATOM 0 HD2 LYS A 62 29.307 -5.959 -5.585 1.00 63.21 H new ATOM 0 HD3 LYS A 62 28.925 -7.254 -6.702 1.00 63.21 H new ATOM 0 HE2 LYS A 62 30.115 -5.804 -8.504 1.00 71.15 H new ATOM 0 HE3 LYS A 62 30.739 -4.867 -7.161 1.00 71.15 H new ATOM 0 HZ1 LYS A 62 32.282 -6.598 -7.814 1.00 13.45 H new ATOM 0 HZ2 LYS A 62 31.717 -6.889 -6.240 1.00 13.45 H new ATOM 0 HZ3 LYS A 62 31.112 -7.797 -7.541 1.00 13.45 H new ATOM 920 N CYS A 63 24.433 -6.523 -8.409 1.00 24.41 N ATOM 921 CA CYS A 63 23.426 -7.436 -8.936 1.00 24.52 C ATOM 922 C CYS A 63 23.937 -8.875 -8.924 1.00 51.54 C ATOM 923 O CYS A 63 25.125 -9.123 -9.126 1.00 42.30 O ATOM 924 CB CYS A 63 23.037 -7.033 -10.359 1.00 61.24 C ATOM 925 SG CYS A 63 21.880 -8.184 -11.168 1.00 71.42 S ATOM 0 H CYS A 63 25.234 -6.379 -9.023 1.00 24.41 H new ATOM 0 HA CYS A 63 22.546 -7.376 -8.296 1.00 24.52 H new ATOM 0 HB2 CYS A 63 22.587 -6.040 -10.334 1.00 61.24 H new ATOM 0 HB3 CYS A 63 23.941 -6.958 -10.964 1.00 61.24 H new ATOM 930 N GLN A 64 23.030 -9.817 -8.688 1.00 12.35 N ATOM 931 CA GLN A 64 23.389 -11.229 -8.649 1.00 75.45 C ATOM 932 C GLN A 64 22.312 -12.083 -9.312 1.00 12.50 C ATOM 933 O GLN A 64 21.229 -11.593 -9.635 1.00 35.44 O ATOM 934 CB GLN A 64 23.600 -11.685 -7.205 1.00 34.04 C ATOM 935 CG GLN A 64 25.014 -11.459 -6.696 1.00 0.43 C ATOM 936 CD GLN A 64 25.298 -12.206 -5.408 1.00 33.41 C ATOM 937 OE1 GLN A 64 25.294 -13.437 -5.378 1.00 21.35 O ATOM 938 NE2 GLN A 64 25.546 -11.465 -4.335 1.00 13.33 N ATOM 0 H GLN A 64 22.042 -9.628 -8.521 1.00 12.35 H new ATOM 0 HA GLN A 64 24.320 -11.356 -9.202 1.00 75.45 H new ATOM 0 HB2 GLN A 64 22.901 -11.154 -6.559 1.00 34.04 H new ATOM 0 HB3 GLN A 64 23.361 -12.746 -7.129 1.00 34.04 H new ATOM 0 HG2 GLN A 64 25.725 -11.775 -7.459 1.00 0.43 H new ATOM 0 HG3 GLN A 64 25.172 -10.393 -6.535 1.00 0.43 H new ATOM 0 HE21 GLN A 64 25.539 -10.447 -4.405 1.00 13.33 H new ATOM 0 HE22 GLN A 64 25.744 -11.913 -3.440 1.00 13.33 H new