USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 450 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 CYS SG : rot 111:sc= 0.502 USER MOD Set 1.2: A 67 CYS SG : rot 77:sc= 1.02 USER MOD Single : A 3 SER OG : rot 28:sc= 0.376 USER MOD Single : A 8 LYS NZ :NH3+ -165:sc= 0.554 (180deg=0.222) USER MOD Single : A 9 GLN : amide:sc= -0.0592 X(o=-0.059,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 65:sc= 1.29 USER MOD Single : A 19 GLN : amide:sc= -1.29 K(o=-1.3,f=-2.4) USER MOD Single : A 28 CYS SG : rot 180:sc= 0.0399 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.181 K(o=-0.18,f=-0.75) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0544 X(o=-0.054,f=0) USER MOD Single : A 70 TYR OH : rot 164:sc= 0.0714 USER MOD ----------------------------------------------------------------- ATOM 25 N SER A 3 3.582 4.228 -3.182 1.00 74.31 N ATOM 26 CA SER A 3 4.803 5.024 -3.187 1.00 24.22 C ATOM 27 C SER A 3 5.948 4.258 -3.843 1.00 42.11 C ATOM 28 O SER A 3 6.855 4.854 -4.425 1.00 55.01 O ATOM 29 CB SER A 3 5.188 5.414 -1.758 1.00 45.05 C ATOM 30 OG SER A 3 4.041 5.726 -0.988 1.00 33.41 O ATOM 0 HA SER A 3 4.616 5.929 -3.765 1.00 24.22 H new ATOM 0 HB2 SER A 3 5.733 4.595 -1.289 1.00 45.05 H new ATOM 0 HB3 SER A 3 5.859 6.272 -1.780 1.00 45.05 H new ATOM 0 HG SER A 3 3.271 5.225 -1.330 1.00 33.41 H new ATOM 36 N TRP A 4 5.899 2.935 -3.744 1.00 61.34 N ATOM 37 CA TRP A 4 6.932 2.086 -4.328 1.00 51.11 C ATOM 38 C TRP A 4 6.781 2.009 -5.843 1.00 73.13 C ATOM 39 O TRP A 4 7.770 1.955 -6.573 1.00 23.01 O ATOM 40 CB TRP A 4 6.869 0.682 -3.725 1.00 15.14 C ATOM 41 CG TRP A 4 7.607 -0.344 -4.529 1.00 65.11 C ATOM 42 CD1 TRP A 4 7.140 -1.026 -5.616 1.00 34.11 C ATOM 43 CD2 TRP A 4 8.945 -0.805 -4.309 1.00 32.53 C ATOM 44 NE1 TRP A 4 8.106 -1.884 -6.084 1.00 54.33 N ATOM 45 CE2 TRP A 4 9.223 -1.767 -5.300 1.00 54.33 C ATOM 46 CE3 TRP A 4 9.935 -0.499 -3.372 1.00 2.12 C ATOM 47 CZ2 TRP A 4 10.448 -2.422 -5.378 1.00 65.24 C ATOM 48 CZ3 TRP A 4 11.151 -1.151 -3.450 1.00 42.44 C ATOM 49 CH2 TRP A 4 11.400 -2.103 -4.448 1.00 52.41 C ATOM 0 H TRP A 4 5.156 2.426 -3.265 1.00 61.34 H new ATOM 0 HA TRP A 4 7.902 2.528 -4.100 1.00 51.11 H new ATOM 0 HB2 TRP A 4 7.282 0.709 -2.717 1.00 15.14 H new ATOM 0 HB3 TRP A 4 5.826 0.380 -3.634 1.00 15.14 H new ATOM 0 HD1 TRP A 4 6.156 -0.908 -6.045 1.00 34.11 H new ATOM 0 HE1 TRP A 4 8.007 -2.507 -6.885 1.00 54.33 H new ATOM 0 HE3 TRP A 4 9.753 0.234 -2.600 1.00 2.12 H new ATOM 0 HZ2 TRP A 4 10.641 -3.157 -6.146 1.00 65.24 H new ATOM 0 HZ3 TRP A 4 11.923 -0.923 -2.730 1.00 42.44 H new ATOM 0 HH2 TRP A 4 12.361 -2.594 -4.484 1.00 52.41 H new ATOM 60 N ALA A 5 5.536 2.004 -6.310 1.00 44.12 N ATOM 61 CA ALA A 5 5.257 1.936 -7.739 1.00 71.31 C ATOM 62 C ALA A 5 6.058 2.982 -8.506 1.00 1.41 C ATOM 63 O ALA A 5 6.775 2.657 -9.451 1.00 43.44 O ATOM 64 CB ALA A 5 3.768 2.116 -7.995 1.00 11.32 C ATOM 0 H ALA A 5 4.705 2.046 -5.719 1.00 44.12 H new ATOM 0 HA ALA A 5 5.560 0.952 -8.096 1.00 71.31 H new ATOM 0 HB1 ALA A 5 3.574 2.063 -9.066 1.00 11.32 H new ATOM 0 HB2 ALA A 5 3.213 1.327 -7.486 1.00 11.32 H new ATOM 0 HB3 ALA A 5 3.448 3.087 -7.616 1.00 11.32 H new ATOM 70 N GLU A 6 5.930 4.239 -8.092 1.00 40.20 N ATOM 71 CA GLU A 6 6.642 5.333 -8.742 1.00 52.23 C ATOM 72 C GLU A 6 8.139 5.046 -8.807 1.00 21.22 C ATOM 73 O GLU A 6 8.737 5.048 -9.883 1.00 4.42 O ATOM 74 CB GLU A 6 6.395 6.646 -7.997 1.00 0.33 C ATOM 75 CG GLU A 6 5.048 7.278 -8.306 1.00 42.11 C ATOM 76 CD GLU A 6 5.148 8.393 -9.329 1.00 1.11 C ATOM 77 OE1 GLU A 6 5.695 9.463 -8.988 1.00 31.12 O ATOM 78 OE2 GLU A 6 4.680 8.196 -10.469 1.00 55.55 O ATOM 0 H GLU A 6 5.340 4.525 -7.310 1.00 40.20 H new ATOM 0 HA GLU A 6 6.263 5.425 -9.760 1.00 52.23 H new ATOM 0 HB2 GLU A 6 6.464 6.464 -6.925 1.00 0.33 H new ATOM 0 HB3 GLU A 6 7.185 7.352 -8.252 1.00 0.33 H new ATOM 0 HG2 GLU A 6 4.367 6.511 -8.675 1.00 42.11 H new ATOM 0 HG3 GLU A 6 4.616 7.672 -7.386 1.00 42.11 H new ATOM 85 N PHE A 7 8.739 4.799 -7.647 1.00 34.22 N ATOM 86 CA PHE A 7 10.166 4.511 -7.570 1.00 2.10 C ATOM 87 C PHE A 7 10.551 3.402 -8.544 1.00 74.45 C ATOM 88 O PHE A 7 11.601 3.457 -9.184 1.00 50.43 O ATOM 89 CB PHE A 7 10.551 4.109 -6.145 1.00 1.44 C ATOM 90 CG PHE A 7 11.315 5.172 -5.408 1.00 10.31 C ATOM 91 CD1 PHE A 7 10.671 6.304 -4.935 1.00 2.35 C ATOM 92 CD2 PHE A 7 12.676 5.039 -5.188 1.00 45.22 C ATOM 93 CE1 PHE A 7 11.372 7.284 -4.257 1.00 40.10 C ATOM 94 CE2 PHE A 7 13.383 6.016 -4.511 1.00 35.41 C ATOM 95 CZ PHE A 7 12.729 7.139 -4.044 1.00 0.02 C ATOM 0 H PHE A 7 8.259 4.793 -6.747 1.00 34.22 H new ATOM 0 HA PHE A 7 10.708 5.416 -7.844 1.00 2.10 H new ATOM 0 HB2 PHE A 7 9.646 3.870 -5.586 1.00 1.44 H new ATOM 0 HB3 PHE A 7 11.152 3.200 -6.182 1.00 1.44 H new ATOM 0 HD1 PHE A 7 9.610 6.422 -5.098 1.00 2.35 H new ATOM 0 HD2 PHE A 7 13.191 4.162 -5.550 1.00 45.22 H new ATOM 0 HE1 PHE A 7 10.859 8.162 -3.894 1.00 40.10 H new ATOM 0 HE2 PHE A 7 14.444 5.901 -4.348 1.00 35.41 H new ATOM 0 HZ PHE A 7 13.278 7.903 -3.513 1.00 0.02 H new ATOM 105 N LYS A 8 9.692 2.393 -8.652 1.00 3.04 N ATOM 106 CA LYS A 8 9.939 1.269 -9.548 1.00 2.54 C ATOM 107 C LYS A 8 9.949 1.726 -11.003 1.00 3.21 C ATOM 108 O LYS A 8 10.768 1.268 -11.800 1.00 55.51 O ATOM 109 CB LYS A 8 8.874 0.188 -9.349 1.00 5.43 C ATOM 110 CG LYS A 8 9.124 -1.068 -10.165 1.00 33.23 C ATOM 111 CD LYS A 8 8.970 -2.322 -9.320 1.00 12.44 C ATOM 112 CE LYS A 8 7.537 -2.831 -9.334 1.00 15.34 C ATOM 113 NZ LYS A 8 6.584 -1.821 -8.794 1.00 50.15 N ATOM 0 H LYS A 8 8.818 2.331 -8.130 1.00 3.04 H new ATOM 0 HA LYS A 8 10.918 0.854 -9.309 1.00 2.54 H new ATOM 0 HB2 LYS A 8 8.830 -0.078 -8.293 1.00 5.43 H new ATOM 0 HB3 LYS A 8 7.899 0.596 -9.615 1.00 5.43 H new ATOM 0 HG2 LYS A 8 8.426 -1.104 -11.002 1.00 33.23 H new ATOM 0 HG3 LYS A 8 10.128 -1.034 -10.588 1.00 33.23 H new ATOM 0 HD2 LYS A 8 9.637 -3.099 -9.695 1.00 12.44 H new ATOM 0 HD3 LYS A 8 9.272 -2.110 -8.294 1.00 12.44 H new ATOM 0 HE2 LYS A 8 7.253 -3.089 -10.354 1.00 15.34 H new ATOM 0 HE3 LYS A 8 7.470 -3.745 -8.744 1.00 15.34 H new ATOM 0 HZ1 LYS A 8 5.675 -2.280 -8.582 1.00 50.15 H new ATOM 0 HZ2 LYS A 8 6.974 -1.406 -7.924 1.00 50.15 H new ATOM 0 HZ3 LYS A 8 6.437 -1.071 -9.499 1.00 50.15 H new ATOM 127 N GLN A 9 9.036 2.631 -11.341 1.00 5.22 N ATOM 128 CA GLN A 9 8.942 3.150 -12.700 1.00 61.44 C ATOM 129 C GLN A 9 10.218 3.887 -13.091 1.00 43.54 C ATOM 130 O GLN A 9 10.707 3.750 -14.213 1.00 2.31 O ATOM 131 CB GLN A 9 7.738 4.085 -12.830 1.00 23.51 C ATOM 132 CG GLN A 9 6.538 3.441 -13.505 1.00 31.22 C ATOM 133 CD GLN A 9 5.497 4.455 -13.936 1.00 2.32 C ATOM 134 OE1 GLN A 9 4.995 4.408 -15.059 1.00 61.12 O ATOM 135 NE2 GLN A 9 5.167 5.381 -13.043 1.00 31.12 N ATOM 0 H GLN A 9 8.351 3.020 -10.693 1.00 5.22 H new ATOM 0 HA GLN A 9 8.811 2.305 -13.376 1.00 61.44 H new ATOM 0 HB2 GLN A 9 7.446 4.427 -11.837 1.00 23.51 H new ATOM 0 HB3 GLN A 9 8.033 4.967 -13.397 1.00 23.51 H new ATOM 0 HG2 GLN A 9 6.874 2.879 -14.376 1.00 31.22 H new ATOM 0 HG3 GLN A 9 6.082 2.726 -12.821 1.00 31.22 H new ATOM 0 HE21 GLN A 9 5.608 5.383 -12.123 1.00 31.12 H new ATOM 0 HE22 GLN A 9 4.472 6.090 -13.277 1.00 31.12 H new ATOM 144 N ARG A 10 10.752 4.670 -12.160 1.00 5.23 N ATOM 145 CA ARG A 10 11.971 5.431 -12.408 1.00 1.11 C ATOM 146 C ARG A 10 13.169 4.500 -12.573 1.00 0.41 C ATOM 147 O ARG A 10 13.991 4.683 -13.472 1.00 24.24 O ATOM 148 CB ARG A 10 12.228 6.412 -11.262 1.00 74.22 C ATOM 149 CG ARG A 10 10.974 7.118 -10.773 1.00 32.03 C ATOM 150 CD ARG A 10 10.054 7.484 -11.927 1.00 70.10 C ATOM 151 NE ARG A 10 9.306 8.710 -11.663 1.00 42.34 N ATOM 152 CZ ARG A 10 8.319 9.150 -12.436 1.00 65.05 C ATOM 153 NH1 ARG A 10 7.963 8.467 -13.515 1.00 63.44 N ATOM 154 NH2 ARG A 10 7.686 10.275 -12.131 1.00 4.35 N ATOM 0 H ARG A 10 10.360 4.794 -11.227 1.00 5.23 H new ATOM 0 HA ARG A 10 11.837 5.991 -13.333 1.00 1.11 H new ATOM 0 HB2 ARG A 10 12.680 5.874 -10.429 1.00 74.22 H new ATOM 0 HB3 ARG A 10 12.951 7.159 -11.589 1.00 74.22 H new ATOM 0 HG2 ARG A 10 10.442 6.474 -10.073 1.00 32.03 H new ATOM 0 HG3 ARG A 10 11.252 8.020 -10.228 1.00 32.03 H new ATOM 0 HD2 ARG A 10 10.644 7.608 -12.835 1.00 70.10 H new ATOM 0 HD3 ARG A 10 9.357 6.666 -12.108 1.00 70.10 H new ATOM 0 HE ARG A 10 9.555 9.259 -10.840 1.00 42.34 H new ATOM 0 HH11 ARG A 10 8.447 7.601 -13.753 1.00 63.44 H new ATOM 0 HH12 ARG A 10 7.205 8.807 -14.107 1.00 63.44 H new ATOM 0 HH21 ARG A 10 7.957 10.804 -11.302 1.00 4.35 H new ATOM 0 HH22 ARG A 10 6.929 10.611 -12.726 1.00 4.35 H new ATOM 168 N LEU A 11 13.262 3.503 -11.700 1.00 15.41 N ATOM 169 CA LEU A 11 14.359 2.544 -11.748 1.00 22.30 C ATOM 170 C LEU A 11 14.275 1.683 -13.005 1.00 4.24 C ATOM 171 O LEU A 11 15.296 1.318 -13.588 1.00 34.45 O ATOM 172 CB LEU A 11 14.339 1.654 -10.504 1.00 63.42 C ATOM 173 CG LEU A 11 15.281 2.063 -9.371 1.00 35.23 C ATOM 174 CD1 LEU A 11 14.525 2.148 -8.054 1.00 31.13 C ATOM 175 CD2 LEU A 11 16.440 1.083 -9.260 1.00 52.23 C ATOM 0 H LEU A 11 12.590 3.338 -10.950 1.00 15.41 H new ATOM 0 HA LEU A 11 15.295 3.101 -11.774 1.00 22.30 H new ATOM 0 HB2 LEU A 11 13.322 1.632 -10.114 1.00 63.42 H new ATOM 0 HB3 LEU A 11 14.586 0.636 -10.806 1.00 63.42 H new ATOM 0 HG LEU A 11 15.686 3.049 -9.599 1.00 35.23 H new ATOM 0 HD11 LEU A 11 15.211 2.440 -7.259 1.00 31.13 H new ATOM 0 HD12 LEU A 11 13.730 2.889 -8.138 1.00 31.13 H new ATOM 0 HD13 LEU A 11 14.091 1.176 -7.820 1.00 31.13 H new ATOM 0 HD21 LEU A 11 17.100 1.390 -8.449 1.00 52.23 H new ATOM 0 HD22 LEU A 11 16.054 0.084 -9.055 1.00 52.23 H new ATOM 0 HD23 LEU A 11 16.998 1.071 -10.196 1.00 52.23 H new ATOM 187 N ALA A 12 13.053 1.365 -13.417 1.00 52.23 N ATOM 188 CA ALA A 12 12.836 0.552 -14.607 1.00 72.41 C ATOM 189 C ALA A 12 13.234 1.308 -15.870 1.00 0.23 C ATOM 190 O ALA A 12 13.872 0.752 -16.763 1.00 25.14 O ATOM 191 CB ALA A 12 11.381 0.114 -14.689 1.00 31.53 C ATOM 0 H ALA A 12 12.198 1.658 -12.944 1.00 52.23 H new ATOM 0 HA ALA A 12 13.467 -0.333 -14.531 1.00 72.41 H new ATOM 0 HB1 ALA A 12 11.233 -0.492 -15.583 1.00 31.53 H new ATOM 0 HB2 ALA A 12 11.127 -0.473 -13.806 1.00 31.53 H new ATOM 0 HB3 ALA A 12 10.739 0.993 -14.737 1.00 31.53 H new ATOM 197 N ALA A 13 12.852 2.579 -15.937 1.00 42.35 N ATOM 198 CA ALA A 13 13.171 3.412 -17.090 1.00 51.34 C ATOM 199 C ALA A 13 14.670 3.679 -17.178 1.00 32.42 C ATOM 200 O ALA A 13 15.249 3.667 -18.264 1.00 64.51 O ATOM 201 CB ALA A 13 12.403 4.724 -17.022 1.00 71.03 C ATOM 0 H ALA A 13 12.321 3.054 -15.207 1.00 42.35 H new ATOM 0 HA ALA A 13 12.871 2.874 -17.989 1.00 51.34 H new ATOM 0 HB1 ALA A 13 12.651 5.336 -17.889 1.00 71.03 H new ATOM 0 HB2 ALA A 13 11.332 4.519 -17.017 1.00 71.03 H new ATOM 0 HB3 ALA A 13 12.675 5.258 -16.111 1.00 71.03 H new ATOM 207 N ILE A 14 15.291 3.919 -16.028 1.00 42.33 N ATOM 208 CA ILE A 14 16.723 4.188 -15.976 1.00 52.20 C ATOM 209 C ILE A 14 17.529 2.949 -16.351 1.00 12.21 C ATOM 210 O ILE A 14 18.523 3.036 -17.073 1.00 34.04 O ATOM 211 CB ILE A 14 17.155 4.664 -14.577 1.00 5.43 C ATOM 212 CG1 ILE A 14 16.503 6.009 -14.247 1.00 63.33 C ATOM 213 CG2 ILE A 14 18.671 4.772 -14.499 1.00 21.41 C ATOM 214 CD1 ILE A 14 16.360 6.263 -12.763 1.00 40.21 C ATOM 0 H ILE A 14 14.826 3.933 -15.120 1.00 42.33 H new ATOM 0 HA ILE A 14 16.922 4.980 -16.698 1.00 52.20 H new ATOM 0 HB ILE A 14 16.823 3.931 -13.842 1.00 5.43 H new ATOM 0 HG12 ILE A 14 17.096 6.809 -14.689 1.00 63.33 H new ATOM 0 HG13 ILE A 14 15.518 6.049 -14.711 1.00 63.33 H new ATOM 0 HG21 ILE A 14 18.961 5.110 -13.504 1.00 21.41 H new ATOM 0 HG22 ILE A 14 19.116 3.796 -14.695 1.00 21.41 H new ATOM 0 HG23 ILE A 14 19.024 5.487 -15.242 1.00 21.41 H new ATOM 0 HD11 ILE A 14 15.891 7.234 -12.604 1.00 40.21 H new ATOM 0 HD12 ILE A 14 15.741 5.483 -12.318 1.00 40.21 H new ATOM 0 HD13 ILE A 14 17.345 6.255 -12.296 1.00 40.21 H new ATOM 226 N LYS A 15 17.093 1.795 -15.857 1.00 43.12 N ATOM 227 CA LYS A 15 17.771 0.536 -16.142 1.00 2.01 C ATOM 228 C LYS A 15 17.596 0.142 -17.605 1.00 52.30 C ATOM 229 O LYS A 15 18.534 -0.329 -18.249 1.00 52.02 O ATOM 230 CB LYS A 15 17.232 -0.573 -15.236 1.00 22.40 C ATOM 231 CG LYS A 15 18.233 -1.686 -14.975 1.00 50.13 C ATOM 232 CD LYS A 15 17.642 -3.051 -15.284 1.00 31.31 C ATOM 233 CE LYS A 15 16.478 -3.376 -14.361 1.00 33.24 C ATOM 234 NZ LYS A 15 15.233 -3.677 -15.122 1.00 4.44 N ATOM 0 H LYS A 15 16.273 1.706 -15.257 1.00 43.12 H new ATOM 0 HA LYS A 15 18.835 0.673 -15.946 1.00 2.01 H new ATOM 0 HB2 LYS A 15 16.929 -0.138 -14.284 1.00 22.40 H new ATOM 0 HB3 LYS A 15 16.338 -0.999 -15.690 1.00 22.40 H new ATOM 0 HG2 LYS A 15 19.122 -1.527 -15.585 1.00 50.13 H new ATOM 0 HG3 LYS A 15 18.551 -1.654 -13.933 1.00 50.13 H new ATOM 0 HD2 LYS A 15 17.304 -3.076 -16.320 1.00 31.31 H new ATOM 0 HD3 LYS A 15 18.413 -3.814 -15.181 1.00 31.31 H new ATOM 0 HE2 LYS A 15 16.738 -4.231 -13.737 1.00 33.24 H new ATOM 0 HE3 LYS A 15 16.300 -2.535 -13.691 1.00 33.24 H new ATOM 0 HZ1 LYS A 15 14.463 -3.893 -14.457 1.00 4.44 H new ATOM 0 HZ2 LYS A 15 14.971 -2.852 -15.699 1.00 4.44 H new ATOM 0 HZ3 LYS A 15 15.395 -4.496 -15.742 1.00 4.44 H new ATOM 248 N THR A 16 16.389 0.340 -18.126 1.00 34.32 N ATOM 249 CA THR A 16 16.091 0.006 -19.513 1.00 34.32 C ATOM 250 C THR A 16 16.931 0.840 -20.472 1.00 41.51 C ATOM 251 O THR A 16 17.593 0.304 -21.361 1.00 21.45 O ATOM 252 CB THR A 16 14.600 0.220 -19.834 1.00 54.44 C ATOM 253 OG1 THR A 16 13.792 -0.610 -18.992 1.00 42.22 O ATOM 254 CG2 THR A 16 14.310 -0.095 -21.294 1.00 70.21 C ATOM 0 H THR A 16 15.602 0.730 -17.608 1.00 34.32 H new ATOM 0 HA THR A 16 16.335 -1.048 -19.644 1.00 34.32 H new ATOM 0 HB THR A 16 14.359 1.267 -19.649 1.00 54.44 H new ATOM 0 HG1 THR A 16 13.900 -0.332 -18.058 1.00 42.22 H new ATOM 0 HG21 THR A 16 13.251 0.063 -21.497 1.00 70.21 H new ATOM 0 HG22 THR A 16 14.904 0.559 -21.932 1.00 70.21 H new ATOM 0 HG23 THR A 16 14.568 -1.134 -21.500 1.00 70.21 H new ATOM 262 N ARG A 17 16.901 2.156 -20.287 1.00 12.12 N ATOM 263 CA ARG A 17 17.660 3.065 -21.137 1.00 1.11 C ATOM 264 C ARG A 17 19.160 2.854 -20.955 1.00 3.11 C ATOM 265 O ARG A 17 19.938 3.008 -21.898 1.00 33.03 O ATOM 266 CB ARG A 17 17.296 4.517 -20.820 1.00 63.13 C ATOM 267 CG ARG A 17 15.967 4.955 -21.413 1.00 33.45 C ATOM 268 CD ARG A 17 15.123 5.705 -20.394 1.00 30.44 C ATOM 269 NE ARG A 17 14.382 6.807 -21.001 1.00 71.53 N ATOM 270 CZ ARG A 17 13.401 7.459 -20.388 1.00 75.31 C ATOM 271 NH1 ARG A 17 13.044 7.122 -19.156 1.00 65.33 N ATOM 272 NH2 ARG A 17 12.773 8.451 -21.007 1.00 65.11 N ATOM 0 H ARG A 17 16.359 2.616 -19.556 1.00 12.12 H new ATOM 0 HA ARG A 17 17.404 2.852 -22.175 1.00 1.11 H new ATOM 0 HB2 ARG A 17 17.262 4.646 -19.738 1.00 63.13 H new ATOM 0 HB3 ARG A 17 18.084 5.170 -21.194 1.00 63.13 H new ATOM 0 HG2 ARG A 17 16.146 5.593 -22.279 1.00 33.45 H new ATOM 0 HG3 ARG A 17 15.420 4.082 -21.768 1.00 33.45 H new ATOM 0 HD2 ARG A 17 14.424 5.014 -19.924 1.00 30.44 H new ATOM 0 HD3 ARG A 17 15.767 6.093 -19.605 1.00 30.44 H new ATOM 0 HE ARG A 17 14.632 7.092 -21.948 1.00 71.53 H new ATOM 0 HH11 ARG A 17 13.523 6.360 -18.677 1.00 65.33 H new ATOM 0 HH12 ARG A 17 12.290 7.625 -18.688 1.00 65.33 H new ATOM 0 HH21 ARG A 17 13.044 8.713 -21.955 1.00 65.11 H new ATOM 0 HH22 ARG A 17 12.020 8.951 -20.535 1.00 65.11 H new ATOM 286 N CYS A 18 19.559 2.502 -19.738 1.00 5.11 N ATOM 287 CA CYS A 18 20.967 2.271 -19.432 1.00 12.33 C ATOM 288 C CYS A 18 21.455 0.973 -20.066 1.00 45.21 C ATOM 289 O CYS A 18 22.561 0.912 -20.603 1.00 2.02 O ATOM 290 CB CYS A 18 21.180 2.225 -17.918 1.00 10.20 C ATOM 291 SG CYS A 18 22.806 1.612 -17.420 1.00 23.22 S ATOM 0 H CYS A 18 18.928 2.370 -18.947 1.00 5.11 H new ATOM 0 HA CYS A 18 21.544 3.097 -19.848 1.00 12.33 H new ATOM 0 HB2 CYS A 18 21.041 3.227 -17.512 1.00 10.20 H new ATOM 0 HB3 CYS A 18 20.413 1.591 -17.473 1.00 10.20 H new ATOM 0 HG CYS A 18 23.501 2.587 -16.915 1.00 23.22 H new ATOM 297 N GLN A 19 20.624 -0.062 -19.999 1.00 4.24 N ATOM 298 CA GLN A 19 20.974 -1.359 -20.565 1.00 34.45 C ATOM 299 C GLN A 19 20.970 -1.307 -22.089 1.00 23.22 C ATOM 300 O GLN A 19 21.768 -1.977 -22.744 1.00 41.21 O ATOM 301 CB GLN A 19 19.998 -2.431 -20.077 1.00 35.50 C ATOM 302 CG GLN A 19 20.076 -2.691 -18.581 1.00 51.41 C ATOM 303 CD GLN A 19 20.799 -3.981 -18.249 1.00 45.34 C ATOM 304 OE1 GLN A 19 21.596 -4.481 -19.044 1.00 73.51 O ATOM 305 NE2 GLN A 19 20.526 -4.527 -17.070 1.00 43.31 N ATOM 0 H GLN A 19 19.705 -0.028 -19.559 1.00 4.24 H new ATOM 0 HA GLN A 19 21.980 -1.614 -20.231 1.00 34.45 H new ATOM 0 HB2 GLN A 19 18.982 -2.129 -20.332 1.00 35.50 H new ATOM 0 HB3 GLN A 19 20.197 -3.361 -20.610 1.00 35.50 H new ATOM 0 HG2 GLN A 19 20.587 -1.858 -18.098 1.00 51.41 H new ATOM 0 HG3 GLN A 19 19.067 -2.728 -18.170 1.00 51.41 H new ATOM 0 HE21 GLN A 19 19.859 -4.078 -16.442 1.00 43.31 H new ATOM 0 HE22 GLN A 19 20.984 -5.395 -16.792 1.00 43.31 H new ATOM 314 N ALA A 20 20.067 -0.508 -22.647 1.00 10.25 N ATOM 315 CA ALA A 20 19.961 -0.367 -24.093 1.00 70.15 C ATOM 316 C ALA A 20 20.976 0.640 -24.623 1.00 23.00 C ATOM 317 O ALA A 20 21.452 0.522 -25.753 1.00 21.31 O ATOM 318 CB ALA A 20 18.550 0.049 -24.481 1.00 51.53 C ATOM 0 H ALA A 20 19.398 0.052 -22.119 1.00 10.25 H new ATOM 0 HA ALA A 20 20.180 -1.335 -24.544 1.00 70.15 H new ATOM 0 HB1 ALA A 20 18.486 0.151 -25.564 1.00 51.53 H new ATOM 0 HB2 ALA A 20 17.842 -0.708 -24.145 1.00 51.53 H new ATOM 0 HB3 ALA A 20 18.310 1.003 -24.012 1.00 51.53 H new ATOM 324 N LEU A 21 21.304 1.631 -23.801 1.00 33.32 N ATOM 325 CA LEU A 21 22.263 2.660 -24.187 1.00 31.22 C ATOM 326 C LEU A 21 21.848 3.328 -25.494 1.00 23.21 C ATOM 327 O LEU A 21 22.458 3.102 -26.539 1.00 15.33 O ATOM 328 CB LEU A 21 23.660 2.054 -24.331 1.00 42.21 C ATOM 329 CG LEU A 21 24.360 1.664 -23.029 1.00 4.21 C ATOM 330 CD1 LEU A 21 25.736 1.082 -23.316 1.00 74.10 C ATOM 331 CD2 LEU A 21 24.471 2.866 -22.102 1.00 50.22 C ATOM 0 H LEU A 21 20.920 1.744 -22.863 1.00 33.32 H new ATOM 0 HA LEU A 21 22.282 3.418 -23.404 1.00 31.22 H new ATOM 0 HB2 LEU A 21 23.586 1.167 -24.960 1.00 42.21 H new ATOM 0 HB3 LEU A 21 24.291 2.768 -24.860 1.00 42.21 H new ATOM 0 HG LEU A 21 23.761 0.901 -22.532 1.00 4.21 H new ATOM 0 HD11 LEU A 21 26.219 0.810 -22.377 1.00 74.10 H new ATOM 0 HD12 LEU A 21 25.633 0.195 -23.941 1.00 74.10 H new ATOM 0 HD13 LEU A 21 26.343 1.823 -23.835 1.00 74.10 H new ATOM 0 HD21 LEU A 21 24.972 2.570 -21.180 1.00 50.22 H new ATOM 0 HD22 LEU A 21 25.047 3.651 -22.592 1.00 50.22 H new ATOM 0 HD23 LEU A 21 23.474 3.239 -21.869 1.00 50.22 H new ATOM 343 N GLY A 22 20.808 4.153 -25.427 1.00 2.40 N ATOM 344 CA GLY A 22 20.331 4.843 -26.611 1.00 43.52 C ATOM 345 C GLY A 22 21.454 5.492 -27.396 1.00 3.21 C ATOM 346 O GLY A 22 21.381 5.607 -28.619 1.00 22.24 O ATOM 0 H GLY A 22 20.287 4.356 -24.574 1.00 2.40 H new ATOM 0 HA2 GLY A 22 19.805 4.136 -27.252 1.00 43.52 H new ATOM 0 HA3 GLY A 22 19.609 5.605 -26.317 1.00 43.52 H new ATOM 393 N GLU A 27 23.099 10.985 -21.173 1.00 12.33 N ATOM 394 CA GLU A 27 22.101 10.074 -20.624 1.00 1.31 C ATOM 395 C GLU A 27 22.705 9.202 -19.527 1.00 4.51 C ATOM 396 O GLU A 27 22.166 9.112 -18.423 1.00 52.04 O ATOM 397 CB GLU A 27 21.521 9.191 -21.731 1.00 12.34 C ATOM 398 CG GLU A 27 20.449 9.879 -22.559 1.00 14.23 C ATOM 399 CD GLU A 27 19.620 8.901 -23.369 1.00 1.11 C ATOM 400 OE1 GLU A 27 20.165 8.316 -24.329 1.00 13.14 O ATOM 401 OE2 GLU A 27 18.428 8.721 -23.044 1.00 21.11 O ATOM 0 HA GLU A 27 21.300 10.672 -20.189 1.00 1.31 H new ATOM 0 HB2 GLU A 27 22.328 8.872 -22.390 1.00 12.34 H new ATOM 0 HB3 GLU A 27 21.100 8.291 -21.283 1.00 12.34 H new ATOM 0 HG2 GLU A 27 19.793 10.446 -21.898 1.00 14.23 H new ATOM 0 HG3 GLU A 27 20.919 10.596 -23.232 1.00 14.23 H new ATOM 408 N CYS A 28 23.827 8.563 -19.839 1.00 20.24 N ATOM 409 CA CYS A 28 24.505 7.697 -18.881 1.00 32.45 C ATOM 410 C CYS A 28 24.774 8.436 -17.574 1.00 54.41 C ATOM 411 O CYS A 28 24.524 7.912 -16.489 1.00 72.34 O ATOM 412 CB CYS A 28 25.819 7.181 -19.469 1.00 21.15 C ATOM 413 SG CYS A 28 25.644 6.389 -21.085 1.00 23.15 S ATOM 0 H CYS A 28 24.286 8.628 -20.747 1.00 20.24 H new ATOM 0 HA CYS A 28 23.852 6.850 -18.670 1.00 32.45 H new ATOM 0 HB2 CYS A 28 26.517 8.014 -19.558 1.00 21.15 H new ATOM 0 HB3 CYS A 28 26.261 6.468 -18.773 1.00 21.15 H new ATOM 0 HG CYS A 28 26.809 5.988 -21.500 1.00 23.15 H new ATOM 419 N ALA A 29 25.286 9.658 -17.686 1.00 71.43 N ATOM 420 CA ALA A 29 25.589 10.470 -16.514 1.00 75.43 C ATOM 421 C ALA A 29 24.331 10.745 -15.698 1.00 14.04 C ATOM 422 O ALA A 29 24.316 10.560 -14.481 1.00 61.51 O ATOM 423 CB ALA A 29 26.245 11.777 -16.933 1.00 71.22 C ATOM 0 H ALA A 29 25.499 10.107 -18.577 1.00 71.43 H new ATOM 0 HA ALA A 29 26.284 9.913 -15.886 1.00 75.43 H new ATOM 0 HB1 ALA A 29 26.466 12.373 -16.048 1.00 71.22 H new ATOM 0 HB2 ALA A 29 27.171 11.564 -17.468 1.00 71.22 H new ATOM 0 HB3 ALA A 29 25.569 12.331 -17.584 1.00 71.22 H new ATOM 429 N ALA A 30 23.277 11.189 -16.374 1.00 53.34 N ATOM 430 CA ALA A 30 22.014 11.489 -15.711 1.00 52.01 C ATOM 431 C ALA A 30 21.515 10.290 -14.912 1.00 63.30 C ATOM 432 O ALA A 30 20.970 10.443 -13.819 1.00 31.21 O ATOM 433 CB ALA A 30 20.970 11.916 -16.732 1.00 52.22 C ATOM 0 H ALA A 30 23.273 11.349 -17.381 1.00 53.34 H new ATOM 0 HA ALA A 30 22.184 12.311 -15.016 1.00 52.01 H new ATOM 0 HB1 ALA A 30 20.032 12.137 -16.223 1.00 52.22 H new ATOM 0 HB2 ALA A 30 21.317 12.807 -17.256 1.00 52.22 H new ATOM 0 HB3 ALA A 30 20.812 11.111 -17.450 1.00 52.22 H new ATOM 439 N PHE A 31 21.705 9.096 -15.465 1.00 2.24 N ATOM 440 CA PHE A 31 21.273 7.870 -14.804 1.00 10.24 C ATOM 441 C PHE A 31 22.093 7.614 -13.542 1.00 54.42 C ATOM 442 O PHE A 31 21.540 7.391 -12.466 1.00 31.32 O ATOM 443 CB PHE A 31 21.399 6.680 -15.757 1.00 55.10 C ATOM 444 CG PHE A 31 20.415 6.715 -16.892 1.00 21.22 C ATOM 445 CD1 PHE A 31 19.089 7.047 -16.667 1.00 10.33 C ATOM 446 CD2 PHE A 31 20.817 6.415 -18.184 1.00 11.54 C ATOM 447 CE1 PHE A 31 18.182 7.079 -17.709 1.00 40.11 C ATOM 448 CE2 PHE A 31 19.914 6.446 -19.230 1.00 44.11 C ATOM 449 CZ PHE A 31 18.595 6.779 -18.992 1.00 44.45 C ATOM 0 H PHE A 31 22.155 8.952 -16.369 1.00 2.24 H new ATOM 0 HA PHE A 31 20.228 7.990 -14.519 1.00 10.24 H new ATOM 0 HB2 PHE A 31 22.410 6.656 -16.164 1.00 55.10 H new ATOM 0 HB3 PHE A 31 21.260 5.757 -15.194 1.00 55.10 H new ATOM 0 HD1 PHE A 31 18.760 7.284 -15.666 1.00 10.33 H new ATOM 0 HD2 PHE A 31 21.847 6.154 -18.376 1.00 11.54 H new ATOM 0 HE1 PHE A 31 17.151 7.338 -17.520 1.00 40.11 H new ATOM 0 HE2 PHE A 31 20.240 6.210 -20.232 1.00 44.11 H new ATOM 0 HZ PHE A 31 17.888 6.805 -19.808 1.00 44.45 H new ATOM 459 N GLU A 32 23.414 7.649 -13.685 1.00 32.11 N ATOM 460 CA GLU A 32 24.310 7.419 -12.557 1.00 55.44 C ATOM 461 C GLU A 32 23.942 8.317 -11.379 1.00 62.12 C ATOM 462 O GLU A 32 23.875 7.865 -10.236 1.00 62.51 O ATOM 463 CB GLU A 32 25.761 7.671 -12.971 1.00 60.11 C ATOM 464 CG GLU A 32 26.756 6.744 -12.293 1.00 44.23 C ATOM 465 CD GLU A 32 27.235 7.279 -10.958 1.00 22.14 C ATOM 466 OE1 GLU A 32 27.458 8.504 -10.855 1.00 34.41 O ATOM 467 OE2 GLU A 32 27.388 6.474 -10.016 1.00 34.43 O ATOM 0 H GLU A 32 23.887 7.834 -14.569 1.00 32.11 H new ATOM 0 HA GLU A 32 24.204 6.380 -12.247 1.00 55.44 H new ATOM 0 HB2 GLU A 32 25.847 7.555 -14.051 1.00 60.11 H new ATOM 0 HB3 GLU A 32 26.022 8.703 -12.739 1.00 60.11 H new ATOM 0 HG2 GLU A 32 26.295 5.768 -12.145 1.00 44.23 H new ATOM 0 HG3 GLU A 32 27.613 6.595 -12.949 1.00 44.23 H new ATOM 474 N LYS A 33 23.705 9.592 -11.666 1.00 44.52 N ATOM 475 CA LYS A 33 23.344 10.555 -10.633 1.00 1.53 C ATOM 476 C LYS A 33 21.986 10.218 -10.026 1.00 12.50 C ATOM 477 O LYS A 33 21.861 10.057 -8.812 1.00 44.45 O ATOM 478 CB LYS A 33 23.318 11.971 -11.213 1.00 4.54 C ATOM 479 CG LYS A 33 24.333 12.907 -10.578 1.00 52.11 C ATOM 480 CD LYS A 33 25.756 12.512 -10.935 1.00 72.05 C ATOM 481 CE LYS A 33 26.655 13.731 -11.073 1.00 52.04 C ATOM 482 NZ LYS A 33 27.210 14.162 -9.761 1.00 2.04 N ATOM 0 H LYS A 33 23.757 9.983 -12.607 1.00 44.52 H new ATOM 0 HA LYS A 33 24.097 10.505 -9.846 1.00 1.53 H new ATOM 0 HB2 LYS A 33 23.505 11.919 -12.285 1.00 4.54 H new ATOM 0 HB3 LYS A 33 22.320 12.389 -11.084 1.00 4.54 H new ATOM 0 HG2 LYS A 33 24.144 13.928 -10.909 1.00 52.11 H new ATOM 0 HG3 LYS A 33 24.212 12.895 -9.495 1.00 52.11 H new ATOM 0 HD2 LYS A 33 26.155 11.850 -10.166 1.00 72.05 H new ATOM 0 HD3 LYS A 33 25.755 11.951 -11.870 1.00 72.05 H new ATOM 0 HE2 LYS A 33 27.473 13.503 -11.756 1.00 52.04 H new ATOM 0 HE3 LYS A 33 26.089 14.551 -11.515 1.00 52.04 H new ATOM 0 HZ1 LYS A 33 27.817 14.995 -9.898 1.00 2.04 H new ATOM 0 HZ2 LYS A 33 26.430 14.404 -9.117 1.00 2.04 H new ATOM 0 HZ3 LYS A 33 27.771 13.389 -9.350 1.00 2.04 H new ATOM 496 N GLU A 34 20.972 10.112 -10.879 1.00 14.32 N ATOM 497 CA GLU A 34 19.623 9.794 -10.425 1.00 70.40 C ATOM 498 C GLU A 34 19.625 8.546 -9.546 1.00 4.33 C ATOM 499 O GLU A 34 19.036 8.535 -8.465 1.00 2.45 O ATOM 500 CB GLU A 34 18.694 9.585 -11.623 1.00 31.23 C ATOM 501 CG GLU A 34 17.638 10.667 -11.770 1.00 11.32 C ATOM 502 CD GLU A 34 16.324 10.132 -12.304 1.00 33.40 C ATOM 503 OE1 GLU A 34 16.325 9.555 -13.412 1.00 43.30 O ATOM 504 OE2 GLU A 34 15.294 10.289 -11.615 1.00 24.41 O ATOM 0 H GLU A 34 21.059 10.241 -11.887 1.00 14.32 H new ATOM 0 HA GLU A 34 19.259 10.634 -9.834 1.00 70.40 H new ATOM 0 HB2 GLU A 34 19.292 9.547 -12.533 1.00 31.23 H new ATOM 0 HB3 GLU A 34 18.200 8.618 -11.525 1.00 31.23 H new ATOM 0 HG2 GLU A 34 17.468 11.137 -10.801 1.00 11.32 H new ATOM 0 HG3 GLU A 34 18.009 11.443 -12.440 1.00 11.32 H new ATOM 511 N ILE A 35 20.291 7.498 -10.018 1.00 5.10 N ATOM 512 CA ILE A 35 20.371 6.246 -9.275 1.00 41.43 C ATOM 513 C ILE A 35 21.062 6.448 -7.931 1.00 64.21 C ATOM 514 O ILE A 35 20.617 5.928 -6.909 1.00 21.25 O ATOM 515 CB ILE A 35 21.127 5.166 -10.072 1.00 13.33 C ATOM 516 CG1 ILE A 35 20.345 4.790 -11.332 1.00 14.31 C ATOM 517 CG2 ILE A 35 21.366 3.939 -9.205 1.00 3.44 C ATOM 518 CD1 ILE A 35 19.012 4.135 -11.043 1.00 63.22 C ATOM 0 H ILE A 35 20.783 7.491 -10.911 1.00 5.10 H new ATOM 0 HA ILE A 35 19.347 5.912 -9.108 1.00 41.43 H new ATOM 0 HB ILE A 35 22.094 5.568 -10.374 1.00 13.33 H new ATOM 0 HG12 ILE A 35 20.178 5.687 -11.928 1.00 14.31 H new ATOM 0 HG13 ILE A 35 20.949 4.114 -11.937 1.00 14.31 H new ATOM 0 HG21 ILE A 35 21.901 3.185 -9.782 1.00 3.44 H new ATOM 0 HG22 ILE A 35 21.959 4.219 -8.334 1.00 3.44 H new ATOM 0 HG23 ILE A 35 20.409 3.533 -8.877 1.00 3.44 H new ATOM 0 HD11 ILE A 35 18.513 3.896 -11.982 1.00 63.22 H new ATOM 0 HD12 ILE A 35 19.172 3.219 -10.474 1.00 63.22 H new ATOM 0 HD13 ILE A 35 18.389 4.817 -10.465 1.00 63.22 H new ATOM 530 N ALA A 36 22.153 7.208 -7.941 1.00 33.34 N ATOM 531 CA ALA A 36 22.904 7.482 -6.722 1.00 34.43 C ATOM 532 C ALA A 36 22.008 8.097 -5.652 1.00 3.50 C ATOM 533 O ALA A 36 22.012 7.663 -4.501 1.00 31.03 O ATOM 534 CB ALA A 36 24.079 8.400 -7.021 1.00 65.42 C ATOM 0 H ALA A 36 22.536 7.644 -8.780 1.00 33.34 H new ATOM 0 HA ALA A 36 23.285 6.535 -6.339 1.00 34.43 H new ATOM 0 HB1 ALA A 36 24.631 8.596 -6.102 1.00 65.42 H new ATOM 0 HB2 ALA A 36 24.739 7.922 -7.745 1.00 65.42 H new ATOM 0 HB3 ALA A 36 23.711 9.341 -7.431 1.00 65.42 H new ATOM 540 N ALA A 37 21.243 9.112 -6.040 1.00 12.30 N ATOM 541 CA ALA A 37 20.342 9.787 -5.114 1.00 75.21 C ATOM 542 C ALA A 37 19.196 8.870 -4.697 1.00 4.32 C ATOM 543 O ALA A 37 18.691 8.962 -3.578 1.00 20.31 O ATOM 544 CB ALA A 37 19.798 11.062 -5.742 1.00 32.14 C ATOM 0 H ALA A 37 21.229 9.485 -6.989 1.00 12.30 H new ATOM 0 HA ALA A 37 20.908 10.048 -4.220 1.00 75.21 H new ATOM 0 HB1 ALA A 37 19.127 11.556 -5.040 1.00 32.14 H new ATOM 0 HB2 ALA A 37 20.625 11.730 -5.984 1.00 32.14 H new ATOM 0 HB3 ALA A 37 19.252 10.815 -6.653 1.00 32.14 H new ATOM 550 N PHE A 38 18.791 7.987 -5.603 1.00 52.55 N ATOM 551 CA PHE A 38 17.704 7.055 -5.330 1.00 14.13 C ATOM 552 C PHE A 38 18.065 6.122 -4.178 1.00 35.23 C ATOM 553 O PHE A 38 17.328 6.016 -3.198 1.00 1.04 O ATOM 554 CB PHE A 38 17.378 6.237 -6.581 1.00 31.21 C ATOM 555 CG PHE A 38 16.016 6.522 -7.146 1.00 33.01 C ATOM 556 CD1 PHE A 38 15.574 7.826 -7.299 1.00 12.34 C ATOM 557 CD2 PHE A 38 15.177 5.486 -7.525 1.00 25.12 C ATOM 558 CE1 PHE A 38 14.321 8.091 -7.818 1.00 14.45 C ATOM 559 CE2 PHE A 38 13.923 5.745 -8.045 1.00 22.12 C ATOM 560 CZ PHE A 38 13.495 7.049 -8.192 1.00 52.52 C ATOM 0 H PHE A 38 19.200 7.897 -6.533 1.00 52.55 H new ATOM 0 HA PHE A 38 16.826 7.634 -5.045 1.00 14.13 H new ATOM 0 HB2 PHE A 38 18.129 6.441 -7.344 1.00 31.21 H new ATOM 0 HB3 PHE A 38 17.448 5.176 -6.340 1.00 31.21 H new ATOM 0 HD1 PHE A 38 16.216 8.645 -7.009 1.00 12.34 H new ATOM 0 HD2 PHE A 38 15.507 4.464 -7.413 1.00 25.12 H new ATOM 0 HE1 PHE A 38 13.988 9.112 -7.931 1.00 14.45 H new ATOM 0 HE2 PHE A 38 13.279 4.928 -8.336 1.00 22.12 H new ATOM 0 HZ PHE A 38 12.516 7.254 -8.599 1.00 52.52 H new ATOM 570 N GLU A 39 19.203 5.447 -4.305 1.00 11.11 N ATOM 571 CA GLU A 39 19.661 4.522 -3.275 1.00 73.32 C ATOM 572 C GLU A 39 20.010 5.267 -1.990 1.00 60.02 C ATOM 573 O GLU A 39 19.747 4.784 -0.889 1.00 24.11 O ATOM 574 CB GLU A 39 20.877 3.736 -3.769 1.00 24.12 C ATOM 575 CG GLU A 39 22.057 4.615 -4.147 1.00 5.33 C ATOM 576 CD GLU A 39 23.235 3.817 -4.673 1.00 13.33 C ATOM 577 OE1 GLU A 39 23.053 2.617 -4.968 1.00 10.44 O ATOM 578 OE2 GLU A 39 24.337 4.392 -4.789 1.00 61.02 O ATOM 0 H GLU A 39 19.824 5.523 -5.110 1.00 11.11 H new ATOM 0 HA GLU A 39 18.850 3.826 -3.061 1.00 73.32 H new ATOM 0 HB2 GLU A 39 21.189 3.039 -2.991 1.00 24.12 H new ATOM 0 HB3 GLU A 39 20.587 3.140 -4.634 1.00 24.12 H new ATOM 0 HG2 GLU A 39 21.742 5.333 -4.904 1.00 5.33 H new ATOM 0 HG3 GLU A 39 22.372 5.189 -3.275 1.00 5.33 H new ATOM 585 N SER A 40 20.604 6.446 -2.140 1.00 44.41 N ATOM 586 CA SER A 40 20.994 7.257 -0.993 1.00 2.25 C ATOM 587 C SER A 40 19.766 7.797 -0.267 1.00 12.25 C ATOM 588 O SER A 40 19.793 8.012 0.945 1.00 74.22 O ATOM 589 CB SER A 40 21.887 8.416 -1.440 1.00 12.41 C ATOM 590 OG SER A 40 22.336 9.173 -0.329 1.00 31.52 O ATOM 0 H SER A 40 20.826 6.861 -3.045 1.00 44.41 H new ATOM 0 HA SER A 40 21.552 6.623 -0.304 1.00 2.25 H new ATOM 0 HB2 SER A 40 22.744 8.027 -1.989 1.00 12.41 H new ATOM 0 HB3 SER A 40 21.336 9.061 -2.124 1.00 12.41 H new ATOM 0 HG SER A 40 22.906 9.906 -0.642 1.00 31.52 H new ATOM 596 N GLU A 41 18.690 8.014 -1.017 1.00 44.42 N ATOM 597 CA GLU A 41 17.452 8.530 -0.446 1.00 1.34 C ATOM 598 C GLU A 41 16.629 7.405 0.175 1.00 61.01 C ATOM 599 O GLU A 41 15.911 7.612 1.154 1.00 5.54 O ATOM 600 CB GLU A 41 16.629 9.247 -1.518 1.00 1.31 C ATOM 601 CG GLU A 41 17.085 10.672 -1.783 1.00 51.24 C ATOM 602 CD GLU A 41 16.239 11.700 -1.057 1.00 4.11 C ATOM 603 OE1 GLU A 41 15.070 11.891 -1.451 1.00 51.24 O ATOM 604 OE2 GLU A 41 16.747 12.313 -0.095 1.00 14.43 O ATOM 0 H GLU A 41 18.651 7.840 -2.021 1.00 44.42 H new ATOM 0 HA GLU A 41 17.713 9.242 0.337 1.00 1.34 H new ATOM 0 HB2 GLU A 41 16.683 8.678 -2.446 1.00 1.31 H new ATOM 0 HB3 GLU A 41 15.583 9.260 -1.213 1.00 1.31 H new ATOM 0 HG2 GLU A 41 18.125 10.780 -1.475 1.00 51.24 H new ATOM 0 HG3 GLU A 41 17.048 10.868 -2.855 1.00 51.24 H new ATOM 611 N LEU A 42 16.738 6.213 -0.402 1.00 54.41 N ATOM 612 CA LEU A 42 16.004 5.054 0.093 1.00 74.11 C ATOM 613 C LEU A 42 16.701 4.445 1.305 1.00 12.03 C ATOM 614 O LEU A 42 16.058 3.844 2.165 1.00 33.40 O ATOM 615 CB LEU A 42 15.865 4.004 -1.011 1.00 23.11 C ATOM 616 CG LEU A 42 15.012 4.404 -2.215 1.00 42.30 C ATOM 617 CD1 LEU A 42 15.481 3.678 -3.466 1.00 50.24 C ATOM 618 CD2 LEU A 42 13.542 4.115 -1.947 1.00 64.22 C ATOM 0 H LEU A 42 17.327 6.024 -1.213 1.00 54.41 H new ATOM 0 HA LEU A 42 15.011 5.386 0.397 1.00 74.11 H new ATOM 0 HB2 LEU A 42 16.862 3.747 -1.367 1.00 23.11 H new ATOM 0 HB3 LEU A 42 15.440 3.101 -0.574 1.00 23.11 H new ATOM 0 HG LEU A 42 15.127 5.476 -2.378 1.00 42.30 H new ATOM 0 HD11 LEU A 42 14.862 3.975 -4.313 1.00 50.24 H new ATOM 0 HD12 LEU A 42 16.521 3.936 -3.668 1.00 50.24 H new ATOM 0 HD13 LEU A 42 15.397 2.602 -3.315 1.00 50.24 H new ATOM 0 HD21 LEU A 42 12.950 4.406 -2.815 1.00 64.22 H new ATOM 0 HD22 LEU A 42 13.409 3.050 -1.758 1.00 64.22 H new ATOM 0 HD23 LEU A 42 13.213 4.682 -1.076 1.00 64.22 H new ATOM 630 N GLN A 43 18.018 4.607 1.367 1.00 4.52 N ATOM 631 CA GLN A 43 18.802 4.075 2.475 1.00 20.25 C ATOM 632 C GLN A 43 18.666 4.957 3.712 1.00 35.21 C ATOM 633 O GLN A 43 18.900 4.509 4.834 1.00 14.44 O ATOM 634 CB GLN A 43 20.274 3.959 2.077 1.00 24.33 C ATOM 635 CG GLN A 43 21.017 5.285 2.098 1.00 13.12 C ATOM 636 CD GLN A 43 21.903 5.439 3.319 1.00 73.23 C ATOM 637 OE1 GLN A 43 22.550 4.486 3.755 1.00 54.05 O ATOM 638 NE2 GLN A 43 21.937 6.643 3.878 1.00 70.21 N ATOM 0 H GLN A 43 18.565 5.102 0.663 1.00 4.52 H new ATOM 0 HA GLN A 43 18.418 3.083 2.714 1.00 20.25 H new ATOM 0 HB2 GLN A 43 20.771 3.263 2.753 1.00 24.33 H new ATOM 0 HB3 GLN A 43 20.338 3.532 1.076 1.00 24.33 H new ATOM 0 HG2 GLN A 43 21.627 5.370 1.198 1.00 13.12 H new ATOM 0 HG3 GLN A 43 20.296 6.102 2.072 1.00 13.12 H new ATOM 0 HE21 GLN A 43 21.385 7.404 3.483 1.00 70.21 H new ATOM 0 HE22 GLN A 43 22.516 6.807 4.702 1.00 70.21 H new ATOM 647 N ALA A 44 18.286 6.212 3.498 1.00 14.34 N ATOM 648 CA ALA A 44 18.116 7.157 4.596 1.00 64.51 C ATOM 649 C ALA A 44 16.826 6.883 5.361 1.00 52.50 C ATOM 650 O ALA A 44 16.727 7.172 6.554 1.00 40.12 O ATOM 651 CB ALA A 44 18.129 8.584 4.070 1.00 13.33 C ATOM 0 H ALA A 44 18.090 6.598 2.575 1.00 14.34 H new ATOM 0 HA ALA A 44 18.950 7.029 5.286 1.00 64.51 H new ATOM 0 HB1 ALA A 44 18.001 9.279 4.900 1.00 13.33 H new ATOM 0 HB2 ALA A 44 19.080 8.781 3.575 1.00 13.33 H new ATOM 0 HB3 ALA A 44 17.315 8.716 3.357 1.00 13.33 H new ATOM 764 N GLU A 52 12.131 -3.445 1.109 1.00 61.33 N ATOM 765 CA GLU A 52 11.929 -2.723 -0.142 1.00 2.02 C ATOM 766 C GLU A 52 13.230 -2.081 -0.616 1.00 22.43 C ATOM 767 O GLU A 52 13.590 -2.175 -1.789 1.00 64.32 O ATOM 768 CB GLU A 52 10.852 -1.650 0.031 1.00 21.13 C ATOM 769 CG GLU A 52 11.129 -0.689 1.175 1.00 50.42 C ATOM 770 CD GLU A 52 9.864 -0.248 1.886 1.00 61.03 C ATOM 771 OE1 GLU A 52 9.262 -1.082 2.594 1.00 14.43 O ATOM 772 OE2 GLU A 52 9.477 0.929 1.734 1.00 53.24 O ATOM 0 HA GLU A 52 11.601 -3.439 -0.896 1.00 2.02 H new ATOM 0 HB2 GLU A 52 10.764 -1.083 -0.896 1.00 21.13 H new ATOM 0 HB3 GLU A 52 9.891 -2.136 0.200 1.00 21.13 H new ATOM 0 HG2 GLU A 52 11.797 -1.167 1.892 1.00 50.42 H new ATOM 0 HG3 GLU A 52 11.649 0.188 0.790 1.00 50.42 H new ATOM 779 N VAL A 53 13.931 -1.428 0.306 1.00 61.41 N ATOM 780 CA VAL A 53 15.192 -0.771 -0.016 1.00 62.32 C ATOM 781 C VAL A 53 16.203 -1.766 -0.576 1.00 11.11 C ATOM 782 O VAL A 53 17.162 -1.381 -1.244 1.00 73.13 O ATOM 783 CB VAL A 53 15.798 -0.082 1.221 1.00 52.11 C ATOM 784 CG1 VAL A 53 17.006 0.755 0.828 1.00 30.33 C ATOM 785 CG2 VAL A 53 14.751 0.773 1.920 1.00 63.14 C ATOM 0 H VAL A 53 13.647 -1.340 1.282 1.00 61.41 H new ATOM 0 HA VAL A 53 14.972 -0.017 -0.771 1.00 62.32 H new ATOM 0 HB VAL A 53 16.131 -0.851 1.918 1.00 52.11 H new ATOM 0 HG11 VAL A 53 17.421 1.234 1.715 1.00 30.33 H new ATOM 0 HG12 VAL A 53 17.762 0.113 0.375 1.00 30.33 H new ATOM 0 HG13 VAL A 53 16.702 1.518 0.112 1.00 30.33 H new ATOM 0 HG21 VAL A 53 15.196 1.253 2.792 1.00 63.14 H new ATOM 0 HG22 VAL A 53 14.386 1.536 1.232 1.00 63.14 H new ATOM 0 HG23 VAL A 53 13.920 0.143 2.237 1.00 63.14 H new ATOM 795 N GLU A 54 15.981 -3.047 -0.298 1.00 54.13 N ATOM 796 CA GLU A 54 16.873 -4.097 -0.775 1.00 22.05 C ATOM 797 C GLU A 54 16.871 -4.163 -2.299 1.00 43.31 C ATOM 798 O GLU A 54 17.925 -4.133 -2.933 1.00 44.14 O ATOM 799 CB GLU A 54 16.459 -5.451 -0.194 1.00 41.03 C ATOM 800 CG GLU A 54 16.336 -5.452 1.320 1.00 34.02 C ATOM 801 CD GLU A 54 16.012 -6.824 1.878 1.00 22.41 C ATOM 802 OE1 GLU A 54 15.069 -7.465 1.368 1.00 41.44 O ATOM 803 OE2 GLU A 54 16.701 -7.258 2.825 1.00 64.12 O ATOM 0 H GLU A 54 15.192 -3.382 0.255 1.00 54.13 H new ATOM 0 HA GLU A 54 17.883 -3.859 -0.441 1.00 22.05 H new ATOM 0 HB2 GLU A 54 15.504 -5.746 -0.628 1.00 41.03 H new ATOM 0 HB3 GLU A 54 17.190 -6.203 -0.491 1.00 41.03 H new ATOM 0 HG2 GLU A 54 17.270 -5.097 1.757 1.00 34.02 H new ATOM 0 HG3 GLU A 54 15.558 -4.750 1.618 1.00 34.02 H new ATOM 810 N ALA A 55 15.679 -4.253 -2.880 1.00 45.01 N ATOM 811 CA ALA A 55 15.539 -4.322 -4.329 1.00 43.53 C ATOM 812 C ALA A 55 16.102 -3.070 -4.995 1.00 74.11 C ATOM 813 O ALA A 55 16.872 -3.156 -5.952 1.00 64.50 O ATOM 814 CB ALA A 55 14.079 -4.513 -4.710 1.00 33.11 C ATOM 0 H ALA A 55 14.797 -4.280 -2.369 1.00 45.01 H new ATOM 0 HA ALA A 55 16.111 -5.180 -4.684 1.00 43.53 H new ATOM 0 HB1 ALA A 55 13.990 -4.563 -5.795 1.00 33.11 H new ATOM 0 HB2 ALA A 55 13.707 -5.439 -4.272 1.00 33.11 H new ATOM 0 HB3 ALA A 55 13.493 -3.674 -4.336 1.00 33.11 H new ATOM 820 N LEU A 56 15.711 -1.908 -4.484 1.00 3.20 N ATOM 821 CA LEU A 56 16.176 -0.637 -5.030 1.00 23.33 C ATOM 822 C LEU A 56 17.698 -0.550 -4.985 1.00 4.33 C ATOM 823 O LEU A 56 18.331 -0.076 -5.929 1.00 11.24 O ATOM 824 CB LEU A 56 15.564 0.529 -4.252 1.00 53.03 C ATOM 825 CG LEU A 56 14.044 0.500 -4.085 1.00 61.13 C ATOM 826 CD1 LEU A 56 13.648 1.019 -2.712 1.00 30.23 C ATOM 827 CD2 LEU A 56 13.372 1.315 -5.180 1.00 15.51 C ATOM 0 H LEU A 56 15.073 -1.819 -3.693 1.00 3.20 H new ATOM 0 HA LEU A 56 15.858 -0.578 -6.071 1.00 23.33 H new ATOM 0 HB2 LEU A 56 16.018 0.557 -3.261 1.00 53.03 H new ATOM 0 HB3 LEU A 56 15.837 1.457 -4.754 1.00 53.03 H new ATOM 0 HG LEU A 56 13.708 -0.533 -4.171 1.00 61.13 H new ATOM 0 HD11 LEU A 56 12.563 0.991 -2.611 1.00 30.23 H new ATOM 0 HD12 LEU A 56 14.100 0.393 -1.942 1.00 30.23 H new ATOM 0 HD13 LEU A 56 13.997 2.045 -2.597 1.00 30.23 H new ATOM 0 HD21 LEU A 56 12.291 1.283 -5.046 1.00 15.51 H new ATOM 0 HD22 LEU A 56 13.714 2.349 -5.126 1.00 15.51 H new ATOM 0 HD23 LEU A 56 13.629 0.898 -6.154 1.00 15.51 H new ATOM 839 N ARG A 57 18.280 -1.012 -3.883 1.00 2.43 N ATOM 840 CA ARG A 57 19.728 -0.986 -3.715 1.00 62.42 C ATOM 841 C ARG A 57 20.411 -1.872 -4.753 1.00 61.40 C ATOM 842 O ARG A 57 21.406 -1.480 -5.363 1.00 52.40 O ATOM 843 CB ARG A 57 20.108 -1.447 -2.307 1.00 2.33 C ATOM 844 CG ARG A 57 20.091 -0.330 -1.276 1.00 22.03 C ATOM 845 CD ARG A 57 20.541 -0.826 0.090 1.00 53.31 C ATOM 846 NE ARG A 57 20.220 0.126 1.150 1.00 34.44 N ATOM 847 CZ ARG A 57 20.417 -0.118 2.441 1.00 24.41 C ATOM 848 NH1 ARG A 57 20.933 -1.277 2.829 1.00 51.32 N ATOM 849 NH2 ARG A 57 20.100 0.798 3.347 1.00 73.30 N ATOM 0 H ARG A 57 17.771 -1.409 -3.093 1.00 2.43 H new ATOM 0 HA ARG A 57 20.067 0.040 -3.858 1.00 62.42 H new ATOM 0 HB2 ARG A 57 19.420 -2.231 -1.992 1.00 2.33 H new ATOM 0 HB3 ARG A 57 21.104 -1.889 -2.335 1.00 2.33 H new ATOM 0 HG2 ARG A 57 20.744 0.479 -1.604 1.00 22.03 H new ATOM 0 HG3 ARG A 57 19.085 0.082 -1.201 1.00 22.03 H new ATOM 0 HD2 ARG A 57 20.063 -1.782 0.304 1.00 53.31 H new ATOM 0 HD3 ARG A 57 21.616 -1.003 0.075 1.00 53.31 H new ATOM 0 HE ARG A 57 19.823 1.027 0.885 1.00 34.44 H new ATOM 0 HH11 ARG A 57 21.179 -1.983 2.136 1.00 51.32 H new ATOM 0 HH12 ARG A 57 21.083 -1.462 3.821 1.00 51.32 H new ATOM 0 HH21 ARG A 57 19.704 1.691 3.053 1.00 73.30 H new ATOM 0 HH22 ARG A 57 20.252 0.609 4.338 1.00 73.30 H new ATOM 863 N LYS A 58 19.871 -3.070 -4.948 1.00 74.41 N ATOM 864 CA LYS A 58 20.426 -4.013 -5.912 1.00 32.11 C ATOM 865 C LYS A 58 20.385 -3.436 -7.323 1.00 44.41 C ATOM 866 O LYS A 58 21.419 -3.295 -7.975 1.00 43.21 O ATOM 867 CB LYS A 58 19.654 -5.334 -5.868 1.00 12.35 C ATOM 868 CG LYS A 58 20.400 -6.451 -5.160 1.00 25.31 C ATOM 869 CD LYS A 58 21.211 -7.287 -6.137 1.00 53.50 C ATOM 870 CE LYS A 58 22.680 -6.892 -6.123 1.00 55.23 C ATOM 871 NZ LYS A 58 23.312 -7.060 -7.461 1.00 54.21 N ATOM 0 H LYS A 58 19.049 -3.411 -4.451 1.00 74.41 H new ATOM 0 HA LYS A 58 21.466 -4.198 -5.643 1.00 32.11 H new ATOM 0 HB2 LYS A 58 18.700 -5.171 -5.367 1.00 12.35 H new ATOM 0 HB3 LYS A 58 19.429 -5.648 -6.887 1.00 12.35 H new ATOM 0 HG2 LYS A 58 21.063 -6.026 -4.406 1.00 25.31 H new ATOM 0 HG3 LYS A 58 19.689 -7.090 -4.636 1.00 25.31 H new ATOM 0 HD2 LYS A 58 21.114 -8.342 -5.882 1.00 53.50 H new ATOM 0 HD3 LYS A 58 20.810 -7.164 -7.143 1.00 53.50 H new ATOM 0 HE2 LYS A 58 22.774 -5.854 -5.805 1.00 55.23 H new ATOM 0 HE3 LYS A 58 23.212 -7.499 -5.391 1.00 55.23 H new ATOM 0 HZ1 LYS A 58 24.312 -6.781 -7.410 1.00 54.21 H new ATOM 0 HZ2 LYS A 58 23.245 -8.056 -7.754 1.00 54.21 H new ATOM 0 HZ3 LYS A 58 22.820 -6.461 -8.155 1.00 54.21 H new ATOM 885 N GLU A 59 19.185 -3.102 -7.787 1.00 60.11 N ATOM 886 CA GLU A 59 19.012 -2.539 -9.121 1.00 72.21 C ATOM 887 C GLU A 59 19.919 -1.329 -9.323 1.00 22.01 C ATOM 888 O GLU A 59 20.636 -1.237 -10.319 1.00 0.31 O ATOM 889 CB GLU A 59 17.552 -2.139 -9.344 1.00 50.42 C ATOM 890 CG GLU A 59 16.600 -3.321 -9.412 1.00 40.10 C ATOM 891 CD GLU A 59 15.542 -3.157 -10.486 1.00 30.11 C ATOM 892 OE1 GLU A 59 14.833 -2.129 -10.467 1.00 73.30 O ATOM 893 OE2 GLU A 59 15.423 -4.056 -11.344 1.00 50.03 O ATOM 0 H GLU A 59 18.319 -3.211 -7.259 1.00 60.11 H new ATOM 0 HA GLU A 59 19.287 -3.303 -9.848 1.00 72.21 H new ATOM 0 HB2 GLU A 59 17.238 -1.477 -8.537 1.00 50.42 H new ATOM 0 HB3 GLU A 59 17.478 -1.570 -10.271 1.00 50.42 H new ATOM 0 HG2 GLU A 59 17.169 -4.231 -9.604 1.00 40.10 H new ATOM 0 HG3 GLU A 59 16.114 -3.447 -8.445 1.00 40.10 H new ATOM 900 N ALA A 60 19.882 -0.403 -8.370 1.00 75.13 N ATOM 901 CA ALA A 60 20.701 0.800 -8.442 1.00 14.40 C ATOM 902 C ALA A 60 22.165 0.454 -8.690 1.00 52.10 C ATOM 903 O ALA A 60 22.782 0.960 -9.627 1.00 0.24 O ATOM 904 CB ALA A 60 20.558 1.613 -7.164 1.00 33.05 C ATOM 0 H ALA A 60 19.293 -0.463 -7.539 1.00 75.13 H new ATOM 0 HA ALA A 60 20.349 1.399 -9.282 1.00 14.40 H new ATOM 0 HB1 ALA A 60 21.175 2.509 -7.232 1.00 33.05 H new ATOM 0 HB2 ALA A 60 19.515 1.900 -7.030 1.00 33.05 H new ATOM 0 HB3 ALA A 60 20.881 1.013 -6.313 1.00 33.05 H new ATOM 910 N ALA A 61 22.715 -0.411 -7.844 1.00 71.13 N ATOM 911 CA ALA A 61 24.106 -0.826 -7.973 1.00 43.31 C ATOM 912 C ALA A 61 24.390 -1.369 -9.369 1.00 63.14 C ATOM 913 O ALA A 61 25.407 -1.040 -9.979 1.00 3.32 O ATOM 914 CB ALA A 61 24.446 -1.870 -6.919 1.00 53.54 C ATOM 0 H ALA A 61 22.218 -0.838 -7.062 1.00 71.13 H new ATOM 0 HA ALA A 61 24.736 0.050 -7.817 1.00 43.31 H new ATOM 0 HB1 ALA A 61 25.488 -2.171 -7.028 1.00 53.54 H new ATOM 0 HB2 ALA A 61 24.292 -1.448 -5.926 1.00 53.54 H new ATOM 0 HB3 ALA A 61 23.802 -2.740 -7.048 1.00 53.54 H new ATOM 920 N ALA A 62 23.485 -2.204 -9.870 1.00 1.41 N ATOM 921 CA ALA A 62 23.638 -2.791 -11.195 1.00 22.51 C ATOM 922 C ALA A 62 23.734 -1.711 -12.267 1.00 22.31 C ATOM 923 O ALA A 62 24.607 -1.761 -13.135 1.00 13.25 O ATOM 924 CB ALA A 62 22.479 -3.731 -11.492 1.00 63.43 C ATOM 0 H ALA A 62 22.638 -2.489 -9.378 1.00 1.41 H new ATOM 0 HA ALA A 62 24.567 -3.361 -11.208 1.00 22.51 H new ATOM 0 HB1 ALA A 62 22.606 -4.163 -12.485 1.00 63.43 H new ATOM 0 HB2 ALA A 62 22.458 -4.529 -10.750 1.00 63.43 H new ATOM 0 HB3 ALA A 62 21.542 -3.176 -11.455 1.00 63.43 H new ATOM 930 N ILE A 63 22.833 -0.738 -12.201 1.00 54.55 N ATOM 931 CA ILE A 63 22.817 0.354 -13.167 1.00 10.52 C ATOM 932 C ILE A 63 24.130 1.130 -13.142 1.00 30.55 C ATOM 933 O ILE A 63 24.690 1.456 -14.188 1.00 62.11 O ATOM 934 CB ILE A 63 21.654 1.328 -12.897 1.00 61.31 C ATOM 935 CG1 ILE A 63 20.314 0.597 -13.002 1.00 70.12 C ATOM 936 CG2 ILE A 63 21.704 2.496 -13.871 1.00 25.24 C ATOM 937 CD1 ILE A 63 19.270 1.106 -12.033 1.00 3.40 C ATOM 0 H ILE A 63 22.104 -0.683 -11.489 1.00 54.55 H new ATOM 0 HA ILE A 63 22.682 -0.097 -14.150 1.00 10.52 H new ATOM 0 HB ILE A 63 21.755 1.720 -11.885 1.00 61.31 H new ATOM 0 HG12 ILE A 63 19.934 0.697 -14.019 1.00 70.12 H new ATOM 0 HG13 ILE A 63 20.475 -0.466 -12.825 1.00 70.12 H new ATOM 0 HG21 ILE A 63 20.876 3.175 -13.668 1.00 25.24 H new ATOM 0 HG22 ILE A 63 22.648 3.028 -13.752 1.00 25.24 H new ATOM 0 HG23 ILE A 63 21.624 2.122 -14.892 1.00 25.24 H new ATOM 0 HD11 ILE A 63 18.346 0.542 -12.164 1.00 3.40 H new ATOM 0 HD12 ILE A 63 19.630 0.981 -11.012 1.00 3.40 H new ATOM 0 HD13 ILE A 63 19.080 2.162 -12.224 1.00 3.40 H new ATOM 949 N ARG A 64 24.616 1.419 -11.939 1.00 45.52 N ATOM 950 CA ARG A 64 25.864 2.156 -11.777 1.00 64.42 C ATOM 951 C ARG A 64 27.022 1.417 -12.442 1.00 71.44 C ATOM 952 O ARG A 64 27.806 2.010 -13.183 1.00 64.30 O ATOM 953 CB ARG A 64 26.167 2.368 -10.293 1.00 11.22 C ATOM 954 CG ARG A 64 27.572 2.881 -10.025 1.00 25.11 C ATOM 955 CD ARG A 64 27.842 3.014 -8.534 1.00 63.13 C ATOM 956 NE ARG A 64 27.411 1.832 -7.792 1.00 52.24 N ATOM 957 CZ ARG A 64 27.183 1.829 -6.484 1.00 32.22 C ATOM 958 NH1 ARG A 64 27.344 2.939 -5.777 1.00 30.34 N ATOM 959 NH2 ARG A 64 26.792 0.714 -5.880 1.00 62.30 N ATOM 0 H ARG A 64 24.165 1.154 -11.063 1.00 45.52 H new ATOM 0 HA ARG A 64 25.749 3.126 -12.260 1.00 64.42 H new ATOM 0 HB2 ARG A 64 25.447 3.075 -9.881 1.00 11.22 H new ATOM 0 HB3 ARG A 64 26.027 1.425 -9.764 1.00 11.22 H new ATOM 0 HG2 ARG A 64 28.299 2.201 -10.468 1.00 25.11 H new ATOM 0 HG3 ARG A 64 27.705 3.849 -10.508 1.00 25.11 H new ATOM 0 HD2 ARG A 64 28.908 3.175 -8.372 1.00 63.13 H new ATOM 0 HD3 ARG A 64 27.324 3.892 -8.149 1.00 63.13 H new ATOM 0 HE ARG A 64 27.278 0.961 -8.307 1.00 52.24 H new ATOM 0 HH11 ARG A 64 27.644 3.798 -6.238 1.00 30.34 H new ATOM 0 HH12 ARG A 64 27.168 2.934 -4.772 1.00 30.34 H new ATOM 0 HH21 ARG A 64 26.666 -0.142 -6.421 1.00 62.30 H new ATOM 0 HH22 ARG A 64 26.617 0.713 -4.875 1.00 62.30 H new ATOM 973 N ASP A 65 27.122 0.120 -12.173 1.00 32.24 N ATOM 974 CA ASP A 65 28.183 -0.701 -12.745 1.00 52.20 C ATOM 975 C ASP A 65 28.134 -0.666 -14.269 1.00 45.44 C ATOM 976 O ASP A 65 29.165 -0.534 -14.929 1.00 72.11 O ATOM 977 CB ASP A 65 28.063 -2.144 -12.252 1.00 4.42 C ATOM 978 CG ASP A 65 28.228 -2.257 -10.749 1.00 32.11 C ATOM 979 OD1 ASP A 65 28.973 -1.439 -10.170 1.00 21.03 O ATOM 980 OD2 ASP A 65 27.611 -3.163 -10.152 1.00 34.52 O ATOM 0 H ASP A 65 26.481 -0.386 -11.562 1.00 32.24 H new ATOM 0 HA ASP A 65 29.140 -0.293 -12.420 1.00 52.20 H new ATOM 0 HB2 ASP A 65 27.090 -2.543 -12.539 1.00 4.42 H new ATOM 0 HB3 ASP A 65 28.817 -2.757 -12.745 1.00 4.42 H new ATOM 985 N GLU A 66 26.931 -0.785 -14.821 1.00 70.12 N ATOM 986 CA GLU A 66 26.750 -0.769 -16.268 1.00 13.10 C ATOM 987 C GLU A 66 27.249 0.544 -16.864 1.00 40.11 C ATOM 988 O GLU A 66 27.994 0.549 -17.845 1.00 1.22 O ATOM 989 CB GLU A 66 25.275 -0.974 -16.622 1.00 23.31 C ATOM 990 CG GLU A 66 24.665 -2.214 -15.990 1.00 14.43 C ATOM 991 CD GLU A 66 24.377 -3.304 -17.003 1.00 73.13 C ATOM 992 OE1 GLU A 66 23.496 -3.096 -17.864 1.00 40.40 O ATOM 993 OE2 GLU A 66 25.031 -4.365 -16.936 1.00 62.30 O ATOM 0 H GLU A 66 26.068 -0.893 -14.289 1.00 70.12 H new ATOM 0 HA GLU A 66 27.335 -1.586 -16.691 1.00 13.10 H new ATOM 0 HB2 GLU A 66 24.709 -0.098 -16.305 1.00 23.31 H new ATOM 0 HB3 GLU A 66 25.176 -1.042 -17.705 1.00 23.31 H new ATOM 0 HG2 GLU A 66 25.343 -2.600 -15.229 1.00 14.43 H new ATOM 0 HG3 GLU A 66 23.740 -1.941 -15.483 1.00 14.43 H new ATOM 1000 N CYS A 67 26.833 1.655 -16.266 1.00 20.44 N ATOM 1001 CA CYS A 67 27.236 2.975 -16.737 1.00 63.44 C ATOM 1002 C CYS A 67 28.756 3.108 -16.747 1.00 34.13 C ATOM 1003 O CYS A 67 29.334 3.650 -17.688 1.00 3.23 O ATOM 1004 CB CYS A 67 26.622 4.064 -15.857 1.00 30.54 C ATOM 1005 SG CYS A 67 24.825 4.206 -16.003 1.00 64.54 S ATOM 0 H CYS A 67 26.216 1.668 -15.454 1.00 20.44 H new ATOM 0 HA CYS A 67 26.872 3.096 -17.757 1.00 63.44 H new ATOM 0 HB2 CYS A 67 26.876 3.862 -14.817 1.00 30.54 H new ATOM 0 HB3 CYS A 67 27.073 5.022 -16.115 1.00 30.54 H new ATOM 0 HG CYS A 67 24.258 3.245 -15.335 1.00 64.54 H new ATOM 1011 N GLN A 68 29.394 2.611 -15.692 1.00 45.04 N ATOM 1012 CA GLN A 68 30.847 2.677 -15.579 1.00 14.22 C ATOM 1013 C GLN A 68 31.515 1.760 -16.598 1.00 52.42 C ATOM 1014 O GLN A 68 32.625 2.030 -17.056 1.00 55.25 O ATOM 1015 CB GLN A 68 31.287 2.294 -14.165 1.00 33.21 C ATOM 1016 CG GLN A 68 30.837 3.281 -13.099 1.00 63.53 C ATOM 1017 CD GLN A 68 31.641 3.164 -11.819 1.00 65.25 C ATOM 1018 OE1 GLN A 68 32.064 4.167 -11.245 1.00 1.35 O ATOM 1019 NE2 GLN A 68 31.857 1.935 -11.366 1.00 23.43 N ATOM 0 H GLN A 68 28.929 2.159 -14.905 1.00 45.04 H new ATOM 0 HA GLN A 68 31.156 3.702 -15.783 1.00 14.22 H new ATOM 0 HB2 GLN A 68 30.891 1.307 -13.925 1.00 33.21 H new ATOM 0 HB3 GLN A 68 32.374 2.216 -14.140 1.00 33.21 H new ATOM 0 HG2 GLN A 68 30.926 4.295 -13.488 1.00 63.53 H new ATOM 0 HG3 GLN A 68 29.783 3.115 -12.878 1.00 63.53 H new ATOM 0 HE21 GLN A 68 31.487 1.132 -11.874 1.00 23.43 H new ATOM 0 HE22 GLN A 68 32.393 1.794 -10.510 1.00 23.43 H new ATOM 1028 N ALA A 69 30.832 0.676 -16.948 1.00 75.43 N ATOM 1029 CA ALA A 69 31.358 -0.280 -17.915 1.00 23.14 C ATOM 1030 C ALA A 69 31.122 0.197 -19.344 1.00 3.35 C ATOM 1031 O ALA A 69 31.597 -0.416 -20.300 1.00 32.33 O ATOM 1032 CB ALA A 69 30.727 -1.648 -17.702 1.00 52.01 C ATOM 0 H ALA A 69 29.913 0.437 -16.576 1.00 75.43 H new ATOM 0 HA ALA A 69 32.434 -0.360 -17.760 1.00 23.14 H new ATOM 0 HB1 ALA A 69 31.129 -2.352 -18.431 1.00 52.01 H new ATOM 0 HB2 ALA A 69 30.952 -2.000 -16.695 1.00 52.01 H new ATOM 0 HB3 ALA A 69 29.647 -1.574 -17.827 1.00 52.01 H new ATOM 1038 N TYR A 70 30.386 1.294 -19.482 1.00 3.43 N ATOM 1039 CA TYR A 70 30.085 1.852 -20.795 1.00 12.23 C ATOM 1040 C TYR A 70 30.975 3.054 -21.094 1.00 5.24 C ATOM 1041 O TYR A 70 31.406 3.254 -22.229 1.00 45.43 O ATOM 1042 CB TYR A 70 28.613 2.262 -20.872 1.00 61.02 C ATOM 1043 CG TYR A 70 27.653 1.110 -20.681 1.00 71.21 C ATOM 1044 CD1 TYR A 70 27.987 -0.175 -21.092 1.00 2.41 C ATOM 1045 CD2 TYR A 70 26.411 1.306 -20.089 1.00 23.34 C ATOM 1046 CE1 TYR A 70 27.112 -1.230 -20.920 1.00 5.10 C ATOM 1047 CE2 TYR A 70 25.531 0.256 -19.911 1.00 71.03 C ATOM 1048 CZ TYR A 70 25.886 -1.010 -20.329 1.00 52.30 C ATOM 1049 OH TYR A 70 25.012 -2.059 -20.155 1.00 3.43 O ATOM 0 H TYR A 70 29.987 1.814 -18.701 1.00 3.43 H new ATOM 0 HA TYR A 70 30.282 1.083 -21.542 1.00 12.23 H new ATOM 0 HB2 TYR A 70 28.415 3.019 -20.113 1.00 61.02 H new ATOM 0 HB3 TYR A 70 28.424 2.725 -21.840 1.00 61.02 H new ATOM 0 HD1 TYR A 70 28.947 -0.352 -21.554 1.00 2.41 H new ATOM 0 HD2 TYR A 70 26.129 2.296 -19.763 1.00 23.34 H new ATOM 0 HE1 TYR A 70 27.387 -2.222 -21.247 1.00 5.10 H new ATOM 0 HE2 TYR A 70 24.570 0.425 -19.447 1.00 71.03 H new ATOM 0 HH TYR A 70 24.320 -1.804 -19.510 1.00 3.43 H new ATOM 1059 N ARG A 71 31.247 3.851 -20.065 1.00 44.13 N ATOM 1060 CA ARG A 71 32.086 5.034 -20.216 1.00 61.03 C ATOM 1061 C ARG A 71 33.097 5.133 -19.077 1.00 73.14 C ATOM 1062 O ARG A 71 33.322 6.210 -18.525 1.00 12.22 O ATOM 1063 CB ARG A 71 31.222 6.296 -20.257 1.00 23.10 C ATOM 1064 CG ARG A 71 31.945 7.511 -20.814 1.00 5.33 C ATOM 1065 CD ARG A 71 31.066 8.751 -20.772 1.00 34.15 C ATOM 1066 NE ARG A 71 31.836 9.960 -20.495 1.00 3.11 N ATOM 1067 CZ ARG A 71 32.529 10.618 -21.418 1.00 72.44 C ATOM 1068 NH1 ARG A 71 32.546 10.185 -22.672 1.00 2.04 N ATOM 1069 NH2 ARG A 71 33.205 11.711 -21.089 1.00 62.41 N ATOM 0 H ARG A 71 30.899 3.699 -19.118 1.00 44.13 H new ATOM 0 HA ARG A 71 32.631 4.944 -21.156 1.00 61.03 H new ATOM 0 HB2 ARG A 71 30.337 6.101 -20.863 1.00 23.10 H new ATOM 0 HB3 ARG A 71 30.874 6.521 -19.249 1.00 23.10 H new ATOM 0 HG2 ARG A 71 32.855 7.689 -20.240 1.00 5.33 H new ATOM 0 HG3 ARG A 71 32.250 7.315 -21.842 1.00 5.33 H new ATOM 0 HD2 ARG A 71 30.549 8.861 -21.725 1.00 34.15 H new ATOM 0 HD3 ARG A 71 30.300 8.626 -20.007 1.00 34.15 H new ATOM 0 HE ARG A 71 31.842 10.319 -19.540 1.00 3.11 H new ATOM 0 HH11 ARG A 71 32.026 9.346 -22.929 1.00 2.04 H new ATOM 0 HH12 ARG A 71 33.079 10.691 -23.379 1.00 2.04 H new ATOM 0 HH21 ARG A 71 33.193 12.047 -20.126 1.00 62.41 H new ATOM 0 HH22 ARG A 71 33.737 12.215 -21.799 1.00 62.41 H new