USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1017 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 57 LYS NZ :NH3+ 155:sc= 0.779 (180deg=0.107) USER MOD Set 1.2: A 64 TYR OH : rot 30:sc= -0.185 USER MOD Set 2.1: A 50 ASN : amide:sc= 0.883 K(o=1.9,f=-5.7!) USER MOD Set 2.2: B 3 LYS NZ :NH3+ -171:sc= 1.05 (180deg=-0.00331) USER MOD Single : A 4 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0417) USER MOD Single : A 9 ASN : amide:sc= 0.777 K(o=0.78,f=-1.8) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc=-0.00218 X(o=-0.0022,f=0) USER MOD Single : A 24 SER OG : rot -7:sc= 0.139 USER MOD Single : A 31 LYS NZ :NH3+ 173:sc=-0.00332 (180deg=-0.075) USER MOD Single : A 33 ASN : amide:sc= -0.0323 K(o=-0.032,f=-0.7) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0051 USER MOD Single : A 38 SER OG : rot 170:sc= 0.513 USER MOD Single : A 39 THR OG1 : rot 76:sc= 0.237 USER MOD Single : A 51 LYS NZ :NH3+ -179:sc= -0.107 (180deg=-0.111) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 65 ASN : amide:sc= -0.0358 K(o=-0.036,f=-6.8!) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 ASN : amide:sc=-0.00444 K(o=-0.0044,f=-1.4) USER MOD Single : B 12 LYS NZ :NH3+ -177:sc= 0.0709 (180deg=0.0501) USER MOD Single : B 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 18 ASN :FLIP amide:sc= -0.387 F(o=-1.5,f=-0.39) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 ASN : amide:sc= -0.0401 X(o=-0.04,f=-0.14) USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 38 SER OG : rot 180:sc= -0.177 USER MOD Single : B 39 THR OG1 : rot 75:sc= 0.499 USER MOD Single : B 50 ASN : amide:sc= -0.0396 K(o=-0.04,f=-1.8!) USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 LYS NZ :NH3+ 176:sc= 0.666 (180deg=0.651) USER MOD Single : B 58 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : B 64 TYR OH : rot 33:sc= 0.162 USER MOD Single : B 65 ASN : amide:sc= -0.0774 X(o=-0.077,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 54 N LYS A 4 -1.802 14.079 5.993 1.00 20.13 N ATOM 55 CA LYS A 4 -2.996 13.796 6.819 1.00 42.55 C ATOM 56 C LYS A 4 -4.071 12.972 6.063 1.00 40.13 C ATOM 57 O LYS A 4 -4.875 12.266 6.692 1.00 51.53 O ATOM 58 CB LYS A 4 -3.592 15.133 7.313 1.00 22.50 C ATOM 59 CG LYS A 4 -2.630 15.990 8.162 1.00 4.14 C ATOM 60 CD LYS A 4 -2.159 15.286 9.455 1.00 73.01 C ATOM 61 CE LYS A 4 -3.320 14.956 10.413 1.00 30.11 C ATOM 62 NZ LYS A 4 -4.048 16.176 10.865 1.00 24.50 N ATOM 0 HA LYS A 4 -2.680 13.184 7.664 1.00 42.55 H new ATOM 0 HB2 LYS A 4 -3.910 15.716 6.448 1.00 22.50 H new ATOM 0 HB3 LYS A 4 -4.485 14.922 7.901 1.00 22.50 H new ATOM 0 HG2 LYS A 4 -1.759 16.249 7.560 1.00 4.14 H new ATOM 0 HG3 LYS A 4 -3.125 16.925 8.426 1.00 4.14 H new ATOM 0 HD2 LYS A 4 -1.638 14.365 9.193 1.00 73.01 H new ATOM 0 HD3 LYS A 4 -1.440 15.924 9.969 1.00 73.01 H new ATOM 0 HE2 LYS A 4 -4.018 14.283 9.915 1.00 30.11 H new ATOM 0 HE3 LYS A 4 -2.931 14.426 11.282 1.00 30.11 H new ATOM 0 HZ1 LYS A 4 -4.764 15.911 11.572 1.00 24.50 H new ATOM 0 HZ2 LYS A 4 -3.374 16.845 11.289 1.00 24.50 H new ATOM 0 HZ3 LYS A 4 -4.515 16.624 10.050 1.00 24.50 H new ATOM 76 N ILE A 5 -4.064 13.061 4.719 1.00 74.54 N ATOM 77 CA ILE A 5 -5.053 12.374 3.853 1.00 41.33 C ATOM 78 C ILE A 5 -5.008 10.835 4.037 1.00 71.44 C ATOM 79 O ILE A 5 -6.058 10.191 4.151 1.00 25.21 O ATOM 80 CB ILE A 5 -4.848 12.778 2.340 1.00 74.24 C ATOM 81 CG1 ILE A 5 -5.069 14.320 2.164 1.00 42.21 C ATOM 82 CG2 ILE A 5 -5.775 11.976 1.390 1.00 55.04 C ATOM 83 CD1 ILE A 5 -4.929 14.839 0.740 1.00 22.33 C ATOM 0 H ILE A 5 -3.377 13.608 4.200 1.00 74.54 H new ATOM 0 HA ILE A 5 -6.046 12.703 4.160 1.00 41.33 H new ATOM 0 HB ILE A 5 -3.823 12.529 2.065 1.00 74.24 H new ATOM 0 HG12 ILE A 5 -6.065 14.571 2.529 1.00 42.21 H new ATOM 0 HG13 ILE A 5 -4.355 14.847 2.797 1.00 42.21 H new ATOM 0 HG21 ILE A 5 -5.599 12.288 0.361 1.00 55.04 H new ATOM 0 HG22 ILE A 5 -5.563 10.911 1.488 1.00 55.04 H new ATOM 0 HG23 ILE A 5 -6.816 12.164 1.653 1.00 55.04 H new ATOM 0 HD11 ILE A 5 -5.100 15.915 0.727 1.00 22.33 H new ATOM 0 HD12 ILE A 5 -3.925 14.627 0.372 1.00 22.33 H new ATOM 0 HD13 ILE A 5 -5.661 14.347 0.100 1.00 22.33 H new ATOM 95 N VAL A 6 -3.787 10.258 4.114 1.00 54.33 N ATOM 96 CA VAL A 6 -3.612 8.796 4.334 1.00 71.53 C ATOM 97 C VAL A 6 -4.261 8.333 5.663 1.00 14.53 C ATOM 98 O VAL A 6 -4.804 7.234 5.731 1.00 32.55 O ATOM 99 CB VAL A 6 -2.100 8.346 4.297 1.00 31.02 C ATOM 100 CG1 VAL A 6 -1.470 8.646 2.922 1.00 14.14 C ATOM 101 CG2 VAL A 6 -1.277 8.986 5.441 1.00 52.30 C ATOM 0 H VAL A 6 -2.912 10.774 4.028 1.00 54.33 H new ATOM 0 HA VAL A 6 -4.124 8.313 3.501 1.00 71.53 H new ATOM 0 HB VAL A 6 -2.078 7.267 4.453 1.00 31.02 H new ATOM 0 HG11 VAL A 6 -0.428 8.327 2.922 1.00 14.14 H new ATOM 0 HG12 VAL A 6 -2.015 8.107 2.147 1.00 14.14 H new ATOM 0 HG13 VAL A 6 -1.522 9.717 2.724 1.00 14.14 H new ATOM 0 HG21 VAL A 6 -0.242 8.649 5.377 1.00 52.30 H new ATOM 0 HG22 VAL A 6 -1.311 10.072 5.350 1.00 52.30 H new ATOM 0 HG23 VAL A 6 -1.697 8.689 6.402 1.00 52.30 H new ATOM 111 N GLY A 7 -4.237 9.212 6.690 1.00 64.24 N ATOM 112 CA GLY A 7 -4.856 8.919 7.993 1.00 54.23 C ATOM 113 C GLY A 7 -6.388 8.815 7.920 1.00 51.22 C ATOM 114 O GLY A 7 -6.992 7.939 8.558 1.00 32.40 O ATOM 0 H GLY A 7 -3.794 10.129 6.637 1.00 64.24 H new ATOM 0 HA2 GLY A 7 -4.452 7.983 8.379 1.00 54.23 H new ATOM 0 HA3 GLY A 7 -4.584 9.700 8.702 1.00 54.23 H new ATOM 118 N ALA A 8 -7.004 9.707 7.116 1.00 51.44 N ATOM 119 CA ALA A 8 -8.471 9.736 6.908 1.00 24.41 C ATOM 120 C ALA A 8 -8.972 8.475 6.156 1.00 50.54 C ATOM 121 O ALA A 8 -9.909 7.801 6.601 1.00 52.02 O ATOM 122 CB ALA A 8 -8.866 11.011 6.140 1.00 1.44 C ATOM 0 H ALA A 8 -6.503 10.426 6.594 1.00 51.44 H new ATOM 0 HA ALA A 8 -8.948 9.741 7.888 1.00 24.41 H new ATOM 0 HB1 ALA A 8 -9.946 11.026 5.990 1.00 1.44 H new ATOM 0 HB2 ALA A 8 -8.567 11.888 6.713 1.00 1.44 H new ATOM 0 HB3 ALA A 8 -8.365 11.022 5.172 1.00 1.44 H new ATOM 128 N ASN A 9 -8.318 8.163 5.019 1.00 33.43 N ATOM 129 CA ASN A 9 -8.698 7.025 4.145 1.00 24.54 C ATOM 130 C ASN A 9 -8.380 5.655 4.791 1.00 74.43 C ATOM 131 O ASN A 9 -9.111 4.682 4.577 1.00 1.42 O ATOM 132 CB ASN A 9 -8.009 7.154 2.766 1.00 22.45 C ATOM 133 CG ASN A 9 -8.529 8.349 1.959 1.00 71.11 C ATOM 134 OD1 ASN A 9 -9.515 8.250 1.248 1.00 31.11 O ATOM 135 ND2 ASN A 9 -7.871 9.483 2.048 1.00 43.32 N ATOM 0 H ASN A 9 -7.513 8.689 4.678 1.00 33.43 H new ATOM 0 HA ASN A 9 -9.779 7.067 4.008 1.00 24.54 H new ATOM 0 HB2 ASN A 9 -6.933 7.257 2.909 1.00 22.45 H new ATOM 0 HB3 ASN A 9 -8.169 6.238 2.197 1.00 22.45 H new ATOM 0 HD21 ASN A 9 -8.183 10.297 1.518 1.00 43.32 H new ATOM 0 HD22 ASN A 9 -7.048 9.550 2.647 1.00 43.32 H new ATOM 142 N ALA A 10 -7.309 5.594 5.606 1.00 42.15 N ATOM 143 CA ALA A 10 -6.891 4.346 6.296 1.00 53.43 C ATOM 144 C ALA A 10 -7.809 4.022 7.487 1.00 1.44 C ATOM 145 O ALA A 10 -8.051 2.851 7.796 1.00 21.00 O ATOM 146 CB ALA A 10 -5.437 4.456 6.758 1.00 51.15 C ATOM 0 H ALA A 10 -6.711 6.396 5.807 1.00 42.15 H new ATOM 0 HA ALA A 10 -6.976 3.527 5.581 1.00 53.43 H new ATOM 0 HB1 ALA A 10 -5.145 3.535 7.262 1.00 51.15 H new ATOM 0 HB2 ALA A 10 -4.792 4.618 5.894 1.00 51.15 H new ATOM 0 HB3 ALA A 10 -5.337 5.294 7.448 1.00 51.15 H new ATOM 152 N GLY A 11 -8.312 5.082 8.148 1.00 25.42 N ATOM 153 CA GLY A 11 -9.288 4.942 9.235 1.00 4.52 C ATOM 154 C GLY A 11 -10.612 4.315 8.783 1.00 3.35 C ATOM 155 O GLY A 11 -11.279 3.631 9.561 1.00 41.31 O ATOM 0 H GLY A 11 -8.054 6.047 7.943 1.00 25.42 H new ATOM 0 HA2 GLY A 11 -8.855 4.330 10.026 1.00 4.52 H new ATOM 0 HA3 GLY A 11 -9.487 5.924 9.664 1.00 4.52 H new ATOM 159 N LYS A 12 -10.986 4.572 7.512 1.00 61.41 N ATOM 160 CA LYS A 12 -12.180 3.975 6.874 1.00 73.45 C ATOM 161 C LYS A 12 -11.940 2.487 6.493 1.00 53.32 C ATOM 162 O LYS A 12 -12.852 1.657 6.601 1.00 14.01 O ATOM 163 CB LYS A 12 -12.590 4.814 5.634 1.00 34.31 C ATOM 164 CG LYS A 12 -13.869 4.319 4.907 1.00 11.51 C ATOM 165 CD LYS A 12 -14.345 5.294 3.802 1.00 62.33 C ATOM 166 CE LYS A 12 -14.808 6.647 4.367 1.00 75.25 C ATOM 167 NZ LYS A 12 -15.201 7.595 3.298 1.00 44.52 N ATOM 0 H LYS A 12 -10.468 5.200 6.898 1.00 61.41 H new ATOM 0 HA LYS A 12 -12.999 3.990 7.593 1.00 73.45 H new ATOM 0 HB2 LYS A 12 -12.743 5.847 5.946 1.00 34.31 H new ATOM 0 HB3 LYS A 12 -11.763 4.815 4.924 1.00 34.31 H new ATOM 0 HG2 LYS A 12 -13.675 3.342 4.464 1.00 11.51 H new ATOM 0 HG3 LYS A 12 -14.668 4.186 5.637 1.00 11.51 H new ATOM 0 HD2 LYS A 12 -13.533 5.459 3.094 1.00 62.33 H new ATOM 0 HD3 LYS A 12 -15.164 4.837 3.247 1.00 62.33 H new ATOM 0 HE2 LYS A 12 -15.652 6.489 5.038 1.00 75.25 H new ATOM 0 HE3 LYS A 12 -14.006 7.084 4.961 1.00 75.25 H new ATOM 0 HZ1 LYS A 12 -15.506 8.493 3.725 1.00 44.52 H new ATOM 0 HZ2 LYS A 12 -14.389 7.768 2.671 1.00 44.52 H new ATOM 0 HZ3 LYS A 12 -15.984 7.191 2.746 1.00 44.52 H new ATOM 181 N VAL A 13 -10.707 2.159 6.051 1.00 62.14 N ATOM 182 CA VAL A 13 -10.289 0.754 5.775 1.00 53.02 C ATOM 183 C VAL A 13 -10.318 -0.099 7.074 1.00 62.45 C ATOM 184 O VAL A 13 -10.773 -1.249 7.079 1.00 22.21 O ATOM 185 CB VAL A 13 -8.858 0.711 5.108 1.00 12.14 C ATOM 186 CG1 VAL A 13 -8.363 -0.741 4.882 1.00 50.13 C ATOM 187 CG2 VAL A 13 -8.846 1.505 3.776 1.00 61.33 C ATOM 0 H VAL A 13 -9.975 2.847 5.875 1.00 62.14 H new ATOM 0 HA VAL A 13 -11.002 0.324 5.072 1.00 53.02 H new ATOM 0 HB VAL A 13 -8.166 1.186 5.804 1.00 12.14 H new ATOM 0 HG11 VAL A 13 -7.375 -0.721 4.421 1.00 50.13 H new ATOM 0 HG12 VAL A 13 -8.307 -1.259 5.839 1.00 50.13 H new ATOM 0 HG13 VAL A 13 -9.059 -1.265 4.226 1.00 50.13 H new ATOM 0 HG21 VAL A 13 -7.850 1.461 3.335 1.00 61.33 H new ATOM 0 HG22 VAL A 13 -9.568 1.069 3.086 1.00 61.33 H new ATOM 0 HG23 VAL A 13 -9.112 2.544 3.970 1.00 61.33 H new ATOM 197 N TRP A 14 -9.851 0.509 8.176 1.00 73.23 N ATOM 198 CA TRP A 14 -9.883 -0.099 9.524 1.00 14.21 C ATOM 199 C TRP A 14 -11.331 -0.140 10.099 1.00 63.14 C ATOM 200 O TRP A 14 -11.680 -1.052 10.857 1.00 23.01 O ATOM 201 CB TRP A 14 -8.900 0.650 10.456 1.00 43.12 C ATOM 202 CG TRP A 14 -8.884 0.160 11.888 1.00 72.12 C ATOM 203 CD1 TRP A 14 -8.280 -0.959 12.392 1.00 23.42 C ATOM 204 CD2 TRP A 14 -9.520 0.793 12.988 1.00 41.43 C ATOM 205 NE1 TRP A 14 -8.487 -1.033 13.746 1.00 62.14 N ATOM 206 CE2 TRP A 14 -9.251 0.033 14.135 1.00 62.23 C ATOM 207 CE3 TRP A 14 -10.276 1.946 13.096 1.00 62.24 C ATOM 208 CZ2 TRP A 14 -9.734 0.390 15.389 1.00 13.22 C ATOM 209 CZ3 TRP A 14 -10.766 2.310 14.336 1.00 50.03 C ATOM 210 CH2 TRP A 14 -10.485 1.535 15.474 1.00 53.22 C ATOM 0 H TRP A 14 -9.438 1.441 8.161 1.00 73.23 H new ATOM 0 HA TRP A 14 -9.558 -1.137 9.453 1.00 14.21 H new ATOM 0 HB2 TRP A 14 -7.894 0.562 10.046 1.00 43.12 H new ATOM 0 HB3 TRP A 14 -9.154 1.710 10.452 1.00 43.12 H new ATOM 0 HD1 TRP A 14 -7.723 -1.678 11.810 1.00 23.42 H new ATOM 0 HE1 TRP A 14 -8.130 -1.763 14.362 1.00 62.14 H new ATOM 0 HE3 TRP A 14 -10.480 2.552 12.226 1.00 62.24 H new ATOM 0 HZ2 TRP A 14 -9.526 -0.211 16.262 1.00 13.22 H new ATOM 0 HZ3 TRP A 14 -11.371 3.199 14.431 1.00 50.03 H new ATOM 0 HH2 TRP A 14 -10.868 1.847 16.435 1.00 53.22 H new ATOM 221 N HIS A 15 -12.161 0.860 9.742 1.00 32.21 N ATOM 222 CA HIS A 15 -13.608 0.881 10.091 1.00 75.42 C ATOM 223 C HIS A 15 -14.343 -0.327 9.453 1.00 60.23 C ATOM 224 O HIS A 15 -15.285 -0.881 10.042 1.00 50.14 O ATOM 225 CB HIS A 15 -14.242 2.213 9.618 1.00 14.25 C ATOM 226 CG HIS A 15 -15.668 2.440 10.058 1.00 60.13 C ATOM 227 ND1 HIS A 15 -15.996 3.087 11.231 1.00 2.15 N ATOM 228 CD2 HIS A 15 -16.851 2.130 9.466 1.00 63.22 C ATOM 229 CE1 HIS A 15 -17.308 3.157 11.344 1.00 73.40 C ATOM 230 NE2 HIS A 15 -17.850 2.588 10.290 1.00 53.21 N ATOM 0 H HIS A 15 -11.857 1.674 9.207 1.00 32.21 H new ATOM 0 HA HIS A 15 -13.709 0.805 11.174 1.00 75.42 H new ATOM 0 HB2 HIS A 15 -13.630 3.038 9.984 1.00 14.25 H new ATOM 0 HB3 HIS A 15 -14.205 2.248 8.529 1.00 14.25 H new ATOM 0 HD2 HIS A 15 -16.981 1.619 8.524 1.00 63.22 H new ATOM 0 HE1 HIS A 15 -17.847 3.606 12.165 1.00 73.40 H new ATOM 0 HE2 HIS A 15 -18.851 2.501 10.113 1.00 53.21 H new ATOM 239 N ALA A 16 -13.899 -0.715 8.243 1.00 3.42 N ATOM 240 CA ALA A 16 -14.406 -1.912 7.542 1.00 61.22 C ATOM 241 C ALA A 16 -14.035 -3.220 8.294 1.00 73.13 C ATOM 242 O ALA A 16 -14.816 -4.174 8.304 1.00 41.24 O ATOM 243 CB ALA A 16 -13.879 -1.948 6.101 1.00 32.32 C ATOM 0 H ALA A 16 -13.181 -0.210 7.724 1.00 3.42 H new ATOM 0 HA ALA A 16 -15.494 -1.848 7.519 1.00 61.22 H new ATOM 0 HB1 ALA A 16 -14.261 -2.835 5.596 1.00 32.32 H new ATOM 0 HB2 ALA A 16 -14.212 -1.057 5.569 1.00 32.32 H new ATOM 0 HB3 ALA A 16 -12.789 -1.977 6.113 1.00 32.32 H new ATOM 249 N LEU A 17 -12.845 -3.235 8.947 1.00 20.42 N ATOM 250 CA LEU A 17 -12.357 -4.395 9.750 1.00 0.11 C ATOM 251 C LEU A 17 -13.272 -4.680 10.970 1.00 3.24 C ATOM 252 O LEU A 17 -13.347 -5.818 11.446 1.00 12.34 O ATOM 253 CB LEU A 17 -10.904 -4.137 10.247 1.00 44.24 C ATOM 254 CG LEU A 17 -9.806 -3.952 9.150 1.00 31.13 C ATOM 255 CD1 LEU A 17 -8.451 -3.561 9.785 1.00 74.34 C ATOM 256 CD2 LEU A 17 -9.672 -5.214 8.266 1.00 1.12 C ATOM 0 H LEU A 17 -12.196 -2.448 8.934 1.00 20.42 H new ATOM 0 HA LEU A 17 -12.376 -5.268 9.097 1.00 0.11 H new ATOM 0 HB2 LEU A 17 -10.913 -3.245 10.873 1.00 44.24 H new ATOM 0 HB3 LEU A 17 -10.610 -4.971 10.885 1.00 44.24 H new ATOM 0 HG LEU A 17 -10.118 -3.134 8.501 1.00 31.13 H new ATOM 0 HD11 LEU A 17 -7.704 -3.438 9.001 1.00 74.34 H new ATOM 0 HD12 LEU A 17 -8.562 -2.624 10.331 1.00 74.34 H new ATOM 0 HD13 LEU A 17 -8.131 -4.345 10.471 1.00 74.34 H new ATOM 0 HD21 LEU A 17 -8.900 -5.051 7.514 1.00 1.12 H new ATOM 0 HD22 LEU A 17 -9.399 -6.066 8.888 1.00 1.12 H new ATOM 0 HD23 LEU A 17 -10.623 -5.415 7.772 1.00 1.12 H new ATOM 268 N ASN A 18 -13.953 -3.630 11.471 1.00 1.40 N ATOM 269 CA ASN A 18 -14.888 -3.738 12.616 1.00 40.02 C ATOM 270 C ASN A 18 -16.158 -4.558 12.245 1.00 5.13 C ATOM 271 O ASN A 18 -16.700 -5.298 13.072 1.00 63.40 O ATOM 272 CB ASN A 18 -15.281 -2.317 13.107 1.00 24.24 C ATOM 273 CG ASN A 18 -16.227 -2.320 14.321 1.00 23.11 C ATOM 274 OD1 ASN A 18 -15.789 -2.355 15.466 1.00 21.23 O ATOM 275 ND2 ASN A 18 -17.527 -2.282 14.083 1.00 71.01 N ATOM 0 H ASN A 18 -13.873 -2.685 11.097 1.00 1.40 H new ATOM 0 HA ASN A 18 -14.381 -4.271 13.420 1.00 40.02 H new ATOM 0 HB2 ASN A 18 -14.375 -1.768 13.365 1.00 24.24 H new ATOM 0 HB3 ASN A 18 -15.758 -1.778 12.288 1.00 24.24 H new ATOM 0 HD21 ASN A 18 -18.188 -2.281 14.860 1.00 71.01 H new ATOM 0 HD22 ASN A 18 -17.869 -2.253 13.122 1.00 71.01 H new ATOM 282 N GLU A 19 -16.615 -4.423 10.985 1.00 1.14 N ATOM 283 CA GLU A 19 -17.882 -5.026 10.504 1.00 5.41 C ATOM 284 C GLU A 19 -17.625 -6.238 9.572 1.00 3.24 C ATOM 285 O GLU A 19 -17.958 -7.381 9.912 1.00 61.30 O ATOM 286 CB GLU A 19 -18.730 -3.944 9.777 1.00 24.43 C ATOM 287 CG GLU A 19 -19.128 -2.742 10.661 1.00 2.33 C ATOM 288 CD GLU A 19 -20.035 -1.734 9.935 1.00 11.53 C ATOM 289 OE1 GLU A 19 -21.253 -1.994 9.825 1.00 73.52 O ATOM 290 OE2 GLU A 19 -19.539 -0.690 9.460 1.00 25.21 O ATOM 0 H GLU A 19 -16.119 -3.893 10.268 1.00 1.14 H new ATOM 0 HA GLU A 19 -18.433 -5.398 11.368 1.00 5.41 H new ATOM 0 HB2 GLU A 19 -18.168 -3.577 8.918 1.00 24.43 H new ATOM 0 HB3 GLU A 19 -19.636 -4.410 9.390 1.00 24.43 H new ATOM 0 HG2 GLU A 19 -19.640 -3.107 11.551 1.00 2.33 H new ATOM 0 HG3 GLU A 19 -18.226 -2.232 10.999 1.00 2.33 H new ATOM 297 N ALA A 20 -17.027 -5.979 8.390 1.00 43.04 N ATOM 298 CA ALA A 20 -16.798 -7.014 7.353 1.00 55.24 C ATOM 299 C ALA A 20 -15.313 -7.042 6.905 1.00 72.35 C ATOM 300 O ALA A 20 -14.920 -6.389 5.928 1.00 64.22 O ATOM 301 CB ALA A 20 -17.755 -6.777 6.169 1.00 55.25 C ATOM 0 H ALA A 20 -16.690 -5.053 8.126 1.00 43.04 H new ATOM 0 HA ALA A 20 -17.012 -7.996 7.775 1.00 55.24 H new ATOM 0 HB1 ALA A 20 -17.586 -7.538 5.407 1.00 55.25 H new ATOM 0 HB2 ALA A 20 -18.786 -6.835 6.517 1.00 55.25 H new ATOM 0 HB3 ALA A 20 -17.570 -5.790 5.744 1.00 55.25 H new ATOM 307 N ASP A 21 -14.504 -7.775 7.676 1.00 21.54 N ATOM 308 CA ASP A 21 -13.053 -7.957 7.436 1.00 41.52 C ATOM 309 C ASP A 21 -12.739 -9.161 6.511 1.00 12.24 C ATOM 310 O ASP A 21 -13.653 -9.856 6.042 1.00 63.33 O ATOM 311 CB ASP A 21 -12.349 -8.135 8.797 1.00 71.35 C ATOM 312 CG ASP A 21 -12.920 -9.294 9.636 1.00 73.10 C ATOM 313 OD1 ASP A 21 -13.869 -9.061 10.415 1.00 23.24 O ATOM 314 OD2 ASP A 21 -12.444 -10.442 9.500 1.00 51.22 O ATOM 0 H ASP A 21 -14.837 -8.272 8.502 1.00 21.54 H new ATOM 0 HA ASP A 21 -12.684 -7.071 6.920 1.00 41.52 H new ATOM 0 HB2 ASP A 21 -11.286 -8.308 8.628 1.00 71.35 H new ATOM 0 HB3 ASP A 21 -12.434 -7.209 9.365 1.00 71.35 H new ATOM 319 N GLY A 22 -11.425 -9.390 6.270 1.00 61.00 N ATOM 320 CA GLY A 22 -10.947 -10.541 5.488 1.00 62.21 C ATOM 321 C GLY A 22 -11.423 -10.523 4.035 1.00 34.51 C ATOM 322 O GLY A 22 -11.989 -11.503 3.540 1.00 24.42 O ATOM 0 H GLY A 22 -10.678 -8.785 6.611 1.00 61.00 H new ATOM 0 HA2 GLY A 22 -9.857 -10.557 5.506 1.00 62.21 H new ATOM 0 HA3 GLY A 22 -11.287 -11.461 5.963 1.00 62.21 H new ATOM 326 N ILE A 23 -11.182 -9.390 3.361 1.00 72.15 N ATOM 327 CA ILE A 23 -11.653 -9.147 1.988 1.00 43.23 C ATOM 328 C ILE A 23 -10.566 -8.415 1.156 1.00 72.13 C ATOM 329 O ILE A 23 -10.063 -7.362 1.559 1.00 63.21 O ATOM 330 CB ILE A 23 -13.013 -8.358 1.988 1.00 24.10 C ATOM 331 CG1 ILE A 23 -13.495 -8.113 0.530 1.00 44.24 C ATOM 332 CG2 ILE A 23 -12.920 -7.041 2.799 1.00 1.30 C ATOM 333 CD1 ILE A 23 -14.852 -7.457 0.397 1.00 32.11 C ATOM 0 H ILE A 23 -10.652 -8.612 3.754 1.00 72.15 H new ATOM 0 HA ILE A 23 -11.838 -10.111 1.515 1.00 43.23 H new ATOM 0 HB ILE A 23 -13.760 -8.972 2.491 1.00 24.10 H new ATOM 0 HG12 ILE A 23 -12.758 -7.491 0.021 1.00 44.24 H new ATOM 0 HG13 ILE A 23 -13.520 -9.070 0.008 1.00 44.24 H new ATOM 0 HG21 ILE A 23 -13.882 -6.528 2.772 1.00 1.30 H new ATOM 0 HG22 ILE A 23 -12.658 -7.268 3.833 1.00 1.30 H new ATOM 0 HG23 ILE A 23 -12.154 -6.399 2.364 1.00 1.30 H new ATOM 0 HD11 ILE A 23 -15.094 -7.331 -0.658 1.00 32.11 H new ATOM 0 HD12 ILE A 23 -15.607 -8.085 0.870 1.00 32.11 H new ATOM 0 HD13 ILE A 23 -14.834 -6.482 0.884 1.00 32.11 H new ATOM 345 N SER A 24 -10.212 -9.020 -0.001 1.00 54.03 N ATOM 346 CA SER A 24 -9.062 -8.621 -0.859 1.00 61.22 C ATOM 347 C SER A 24 -9.040 -7.107 -1.190 1.00 12.40 C ATOM 348 O SER A 24 -10.097 -6.507 -1.331 1.00 21.34 O ATOM 349 CB SER A 24 -9.112 -9.454 -2.163 1.00 44.24 C ATOM 350 OG SER A 24 -9.115 -10.858 -1.891 1.00 35.34 O ATOM 0 H SER A 24 -10.726 -9.817 -0.376 1.00 54.03 H new ATOM 0 HA SER A 24 -8.146 -8.819 -0.303 1.00 61.22 H new ATOM 0 HB2 SER A 24 -10.005 -9.191 -2.730 1.00 44.24 H new ATOM 0 HB3 SER A 24 -8.254 -9.206 -2.787 1.00 44.24 H new ATOM 0 HG SER A 24 -8.964 -11.006 -0.934 1.00 35.34 H new ATOM 356 N ILE A 25 -7.824 -6.534 -1.376 1.00 62.14 N ATOM 357 CA ILE A 25 -7.598 -5.065 -1.538 1.00 32.15 C ATOM 358 C ILE A 25 -8.570 -4.379 -2.571 1.00 4.11 C ATOM 359 O ILE A 25 -9.172 -3.355 -2.226 1.00 43.32 O ATOM 360 CB ILE A 25 -6.088 -4.751 -1.921 1.00 5.15 C ATOM 361 CG1 ILE A 25 -5.108 -5.248 -0.803 1.00 72.11 C ATOM 362 CG2 ILE A 25 -5.874 -3.243 -2.222 1.00 30.53 C ATOM 363 CD1 ILE A 25 -3.621 -5.086 -1.126 1.00 22.11 C ATOM 0 H ILE A 25 -6.962 -7.078 -1.419 1.00 62.14 H new ATOM 0 HA ILE A 25 -7.823 -4.633 -0.563 1.00 32.15 H new ATOM 0 HB ILE A 25 -5.863 -5.300 -2.835 1.00 5.15 H new ATOM 0 HG12 ILE A 25 -5.326 -4.705 0.117 1.00 72.11 H new ATOM 0 HG13 ILE A 25 -5.309 -6.301 -0.607 1.00 72.11 H new ATOM 0 HG21 ILE A 25 -4.829 -3.068 -2.480 1.00 30.53 H new ATOM 0 HG22 ILE A 25 -6.509 -2.945 -3.057 1.00 30.53 H new ATOM 0 HG23 ILE A 25 -6.134 -2.656 -1.341 1.00 30.53 H new ATOM 0 HD11 ILE A 25 -3.025 -5.458 -0.293 1.00 22.11 H new ATOM 0 HD12 ILE A 25 -3.380 -5.653 -2.026 1.00 22.11 H new ATOM 0 HD13 ILE A 25 -3.397 -4.032 -1.290 1.00 22.11 H new ATOM 375 N PRO A 26 -8.772 -4.919 -3.838 1.00 33.50 N ATOM 376 CA PRO A 26 -9.731 -4.314 -4.808 1.00 31.43 C ATOM 377 C PRO A 26 -11.217 -4.397 -4.353 1.00 33.12 C ATOM 378 O PRO A 26 -11.983 -3.456 -4.550 1.00 1.41 O ATOM 379 CB PRO A 26 -9.496 -5.127 -6.112 1.00 41.52 C ATOM 380 CG PRO A 26 -8.949 -6.438 -5.641 1.00 73.14 C ATOM 381 CD PRO A 26 -8.078 -6.096 -4.451 1.00 13.53 C ATOM 0 HA PRO A 26 -9.556 -3.244 -4.921 1.00 31.43 H new ATOM 0 HB2 PRO A 26 -10.423 -5.261 -6.669 1.00 41.52 H new ATOM 0 HB3 PRO A 26 -8.796 -4.620 -6.776 1.00 41.52 H new ATOM 0 HG2 PRO A 26 -9.750 -7.122 -5.360 1.00 73.14 H new ATOM 0 HG3 PRO A 26 -8.372 -6.929 -6.424 1.00 73.14 H new ATOM 0 HD2 PRO A 26 -8.008 -6.929 -3.752 1.00 13.53 H new ATOM 0 HD3 PRO A 26 -7.061 -5.849 -4.756 1.00 13.53 H new ATOM 389 N GLU A 27 -11.596 -5.513 -3.718 1.00 41.15 N ATOM 390 CA GLU A 27 -12.988 -5.766 -3.275 1.00 15.12 C ATOM 391 C GLU A 27 -13.351 -4.830 -2.103 1.00 44.32 C ATOM 392 O GLU A 27 -14.411 -4.199 -2.063 1.00 21.12 O ATOM 393 CB GLU A 27 -13.105 -7.243 -2.838 1.00 43.33 C ATOM 394 CG GLU A 27 -12.900 -8.271 -3.969 1.00 0.02 C ATOM 395 CD GLU A 27 -14.014 -8.232 -5.032 1.00 35.24 C ATOM 396 OE1 GLU A 27 -15.102 -8.783 -4.781 1.00 72.32 O ATOM 397 OE2 GLU A 27 -13.815 -7.647 -6.113 1.00 15.43 O ATOM 0 H GLU A 27 -10.952 -6.271 -3.493 1.00 41.15 H new ATOM 0 HA GLU A 27 -13.680 -5.569 -4.094 1.00 15.12 H new ATOM 0 HB2 GLU A 27 -12.371 -7.435 -2.055 1.00 43.33 H new ATOM 0 HB3 GLU A 27 -14.090 -7.400 -2.398 1.00 43.33 H new ATOM 0 HG2 GLU A 27 -11.940 -8.085 -4.451 1.00 0.02 H new ATOM 0 HG3 GLU A 27 -12.852 -9.271 -3.538 1.00 0.02 H new ATOM 404 N LEU A 28 -12.421 -4.785 -1.162 1.00 51.42 N ATOM 405 CA LEU A 28 -12.377 -3.848 -0.035 1.00 41.23 C ATOM 406 C LEU A 28 -12.369 -2.369 -0.502 1.00 41.12 C ATOM 407 O LEU A 28 -12.938 -1.504 0.166 1.00 23.32 O ATOM 408 CB LEU A 28 -11.103 -4.182 0.768 1.00 1.33 C ATOM 409 CG LEU A 28 -10.712 -3.239 1.936 1.00 72.10 C ATOM 410 CD1 LEU A 28 -11.755 -3.247 3.076 1.00 74.10 C ATOM 411 CD2 LEU A 28 -9.303 -3.595 2.432 1.00 35.52 C ATOM 0 H LEU A 28 -11.633 -5.432 -1.158 1.00 51.42 H new ATOM 0 HA LEU A 28 -13.271 -3.957 0.578 1.00 41.23 H new ATOM 0 HB2 LEU A 28 -11.218 -5.187 1.174 1.00 1.33 H new ATOM 0 HB3 LEU A 28 -10.267 -4.214 0.070 1.00 1.33 H new ATOM 0 HG LEU A 28 -10.700 -2.215 1.563 1.00 72.10 H new ATOM 0 HD11 LEU A 28 -11.433 -2.571 3.868 1.00 74.10 H new ATOM 0 HD12 LEU A 28 -12.720 -2.920 2.689 1.00 74.10 H new ATOM 0 HD13 LEU A 28 -11.849 -4.256 3.476 1.00 74.10 H new ATOM 0 HD21 LEU A 28 -9.028 -2.933 3.253 1.00 35.52 H new ATOM 0 HD22 LEU A 28 -9.290 -4.628 2.780 1.00 35.52 H new ATOM 0 HD23 LEU A 28 -8.590 -3.478 1.616 1.00 35.52 H new ATOM 423 N ALA A 29 -11.716 -2.095 -1.653 1.00 4.41 N ATOM 424 CA ALA A 29 -11.709 -0.748 -2.279 1.00 51.20 C ATOM 425 C ALA A 29 -13.135 -0.280 -2.643 1.00 4.42 C ATOM 426 O ALA A 29 -13.472 0.890 -2.470 1.00 33.03 O ATOM 427 CB ALA A 29 -10.794 -0.718 -3.510 1.00 74.05 C ATOM 0 H ALA A 29 -11.183 -2.792 -2.173 1.00 4.41 H new ATOM 0 HA ALA A 29 -11.313 -0.050 -1.542 1.00 51.20 H new ATOM 0 HB1 ALA A 29 -10.807 0.280 -3.949 1.00 74.05 H new ATOM 0 HB2 ALA A 29 -9.776 -0.970 -3.213 1.00 74.05 H new ATOM 0 HB3 ALA A 29 -11.148 -1.442 -4.244 1.00 74.05 H new ATOM 433 N ARG A 30 -13.986 -1.212 -3.117 1.00 24.14 N ATOM 434 CA ARG A 30 -15.417 -0.916 -3.376 1.00 42.12 C ATOM 435 C ARG A 30 -16.223 -0.746 -2.055 1.00 71.05 C ATOM 436 O ARG A 30 -17.227 -0.028 -2.042 1.00 74.44 O ATOM 437 CB ARG A 30 -16.073 -1.985 -4.305 1.00 32.41 C ATOM 438 CG ARG A 30 -15.894 -1.720 -5.825 1.00 73.34 C ATOM 439 CD ARG A 30 -14.462 -1.946 -6.350 1.00 53.30 C ATOM 440 NE ARG A 30 -14.128 -3.383 -6.451 1.00 31.32 N ATOM 441 CZ ARG A 30 -13.264 -3.915 -7.299 1.00 2.22 C ATOM 442 NH1 ARG A 30 -12.574 -3.182 -8.117 1.00 23.41 N ATOM 443 NH2 ARG A 30 -13.076 -5.188 -7.311 1.00 70.14 N ATOM 0 H ARG A 30 -13.713 -2.172 -3.329 1.00 24.14 H new ATOM 0 HA ARG A 30 -15.449 0.038 -3.903 1.00 42.12 H new ATOM 0 HB2 ARG A 30 -15.650 -2.961 -4.068 1.00 32.41 H new ATOM 0 HB3 ARG A 30 -17.139 -2.036 -4.082 1.00 32.41 H new ATOM 0 HG2 ARG A 30 -16.576 -2.367 -6.376 1.00 73.34 H new ATOM 0 HG3 ARG A 30 -16.188 -0.692 -6.039 1.00 73.34 H new ATOM 0 HD2 ARG A 30 -14.358 -1.480 -7.330 1.00 53.30 H new ATOM 0 HD3 ARG A 30 -13.751 -1.455 -5.686 1.00 53.30 H new ATOM 0 HE ARG A 30 -14.605 -4.019 -5.812 1.00 31.32 H new ATOM 0 HH11 ARG A 30 -12.691 -2.169 -8.116 1.00 23.41 H new ATOM 0 HH12 ARG A 30 -11.914 -3.619 -8.761 1.00 23.41 H new ATOM 0 HH21 ARG A 30 -13.593 -5.786 -6.667 1.00 70.14 H new ATOM 0 HH22 ARG A 30 -12.410 -5.599 -7.965 1.00 70.14 H new ATOM 457 N LYS A 31 -15.790 -1.407 -0.955 1.00 53.23 N ATOM 458 CA LYS A 31 -16.419 -1.226 0.388 1.00 71.13 C ATOM 459 C LYS A 31 -16.155 0.186 0.955 1.00 43.42 C ATOM 460 O LYS A 31 -17.059 0.839 1.479 1.00 32.24 O ATOM 461 CB LYS A 31 -15.902 -2.266 1.415 1.00 2.21 C ATOM 462 CG LYS A 31 -16.221 -3.732 1.073 1.00 23.23 C ATOM 463 CD LYS A 31 -15.956 -4.681 2.265 1.00 22.14 C ATOM 464 CE LYS A 31 -16.851 -4.385 3.479 1.00 51.14 C ATOM 465 NZ LYS A 31 -18.301 -4.511 3.157 1.00 50.23 N ATOM 0 H LYS A 31 -15.013 -2.068 -0.964 1.00 53.23 H new ATOM 0 HA LYS A 31 -17.489 -1.367 0.237 1.00 71.13 H new ATOM 0 HB2 LYS A 31 -14.821 -2.157 1.507 1.00 2.21 H new ATOM 0 HB3 LYS A 31 -16.330 -2.035 2.390 1.00 2.21 H new ATOM 0 HG2 LYS A 31 -17.265 -3.814 0.771 1.00 23.23 H new ATOM 0 HG3 LYS A 31 -15.617 -4.044 0.221 1.00 23.23 H new ATOM 0 HD2 LYS A 31 -16.116 -5.711 1.945 1.00 22.14 H new ATOM 0 HD3 LYS A 31 -14.911 -4.598 2.563 1.00 22.14 H new ATOM 0 HE2 LYS A 31 -16.600 -5.071 4.288 1.00 51.14 H new ATOM 0 HE3 LYS A 31 -16.648 -3.377 3.840 1.00 51.14 H new ATOM 0 HZ1 LYS A 31 -18.860 -4.420 4.029 1.00 50.23 H new ATOM 0 HZ2 LYS A 31 -18.575 -3.761 2.490 1.00 50.23 H new ATOM 0 HZ3 LYS A 31 -18.481 -5.440 2.726 1.00 50.23 H new ATOM 479 N VAL A 32 -14.893 0.630 0.858 1.00 44.43 N ATOM 480 CA VAL A 32 -14.458 1.953 1.363 1.00 3.32 C ATOM 481 C VAL A 32 -14.674 3.069 0.308 1.00 61.42 C ATOM 482 O VAL A 32 -14.383 4.239 0.572 1.00 3.01 O ATOM 483 CB VAL A 32 -12.956 1.904 1.833 1.00 53.30 C ATOM 484 CG1 VAL A 32 -12.767 0.852 2.955 1.00 44.53 C ATOM 485 CG2 VAL A 32 -11.989 1.631 0.655 1.00 54.25 C ATOM 0 H VAL A 32 -14.143 0.088 0.429 1.00 44.43 H new ATOM 0 HA VAL A 32 -15.079 2.197 2.225 1.00 3.32 H new ATOM 0 HB VAL A 32 -12.709 2.887 2.233 1.00 53.30 H new ATOM 0 HG11 VAL A 32 -11.722 0.834 3.265 1.00 44.53 H new ATOM 0 HG12 VAL A 32 -13.394 1.113 3.808 1.00 44.53 H new ATOM 0 HG13 VAL A 32 -13.052 -0.132 2.583 1.00 44.53 H new ATOM 0 HG21 VAL A 32 -10.964 1.605 1.024 1.00 54.25 H new ATOM 0 HG22 VAL A 32 -12.234 0.672 0.198 1.00 54.25 H new ATOM 0 HG23 VAL A 32 -12.088 2.423 -0.088 1.00 54.25 H new ATOM 495 N ASN A 33 -15.174 2.665 -0.892 1.00 62.32 N ATOM 496 CA ASN A 33 -15.568 3.572 -2.006 1.00 54.10 C ATOM 497 C ASN A 33 -14.335 4.327 -2.603 1.00 41.22 C ATOM 498 O ASN A 33 -14.458 5.417 -3.163 1.00 13.53 O ATOM 499 CB ASN A 33 -16.699 4.549 -1.529 1.00 75.33 C ATOM 500 CG ASN A 33 -17.462 5.245 -2.663 1.00 74.32 C ATOM 501 OD1 ASN A 33 -17.623 4.701 -3.750 1.00 75.11 O ATOM 502 ND2 ASN A 33 -17.937 6.450 -2.420 1.00 65.32 N ATOM 0 H ASN A 33 -15.317 1.680 -1.116 1.00 62.32 H new ATOM 0 HA ASN A 33 -15.971 2.969 -2.820 1.00 54.10 H new ATOM 0 HB2 ASN A 33 -17.410 3.991 -0.920 1.00 75.33 H new ATOM 0 HB3 ASN A 33 -16.256 5.310 -0.886 1.00 75.33 H new ATOM 0 HD21 ASN A 33 -18.452 6.951 -3.144 1.00 65.32 H new ATOM 0 HD22 ASN A 33 -17.790 6.882 -1.508 1.00 65.32 H new ATOM 509 N LEU A 34 -13.144 3.708 -2.488 1.00 74.21 N ATOM 510 CA LEU A 34 -11.861 4.271 -2.984 1.00 43.03 C ATOM 511 C LEU A 34 -11.263 3.416 -4.126 1.00 71.43 C ATOM 512 O LEU A 34 -11.784 2.349 -4.459 1.00 21.21 O ATOM 513 CB LEU A 34 -10.858 4.349 -1.801 1.00 4.42 C ATOM 514 CG LEU A 34 -11.299 5.230 -0.593 1.00 51.25 C ATOM 515 CD1 LEU A 34 -10.308 5.104 0.582 1.00 65.13 C ATOM 516 CD2 LEU A 34 -11.488 6.701 -1.022 1.00 53.23 C ATOM 0 H LEU A 34 -13.038 2.795 -2.045 1.00 74.21 H new ATOM 0 HA LEU A 34 -12.052 5.266 -3.387 1.00 43.03 H new ATOM 0 HB2 LEU A 34 -10.672 3.337 -1.440 1.00 4.42 H new ATOM 0 HB3 LEU A 34 -9.910 4.732 -2.178 1.00 4.42 H new ATOM 0 HG LEU A 34 -12.264 4.862 -0.243 1.00 51.25 H new ATOM 0 HD11 LEU A 34 -10.643 5.730 1.409 1.00 65.13 H new ATOM 0 HD12 LEU A 34 -10.261 4.065 0.909 1.00 65.13 H new ATOM 0 HD13 LEU A 34 -9.318 5.428 0.260 1.00 65.13 H new ATOM 0 HD21 LEU A 34 -11.796 7.294 -0.161 1.00 53.23 H new ATOM 0 HD22 LEU A 34 -10.548 7.090 -1.413 1.00 53.23 H new ATOM 0 HD23 LEU A 34 -12.254 6.759 -1.795 1.00 53.23 H new ATOM 528 N SER A 35 -10.175 3.921 -4.742 1.00 42.11 N ATOM 529 CA SER A 35 -9.348 3.146 -5.706 1.00 25.42 C ATOM 530 C SER A 35 -8.585 1.998 -5.015 1.00 52.10 C ATOM 531 O SER A 35 -8.315 2.060 -3.812 1.00 14.25 O ATOM 532 CB SER A 35 -8.334 4.080 -6.419 1.00 4.21 C ATOM 533 OG SER A 35 -7.441 3.357 -7.262 1.00 51.40 O ATOM 0 H SER A 35 -9.841 4.873 -4.590 1.00 42.11 H new ATOM 0 HA SER A 35 -10.029 2.711 -6.438 1.00 25.42 H new ATOM 0 HB2 SER A 35 -8.876 4.817 -7.012 1.00 4.21 H new ATOM 0 HB3 SER A 35 -7.762 4.630 -5.672 1.00 4.21 H new ATOM 0 HG SER A 35 -6.821 3.981 -7.693 1.00 51.40 H new ATOM 539 N VAL A 36 -8.237 0.962 -5.802 1.00 44.23 N ATOM 540 CA VAL A 36 -7.361 -0.152 -5.352 1.00 2.40 C ATOM 541 C VAL A 36 -6.015 0.394 -4.818 1.00 54.33 C ATOM 542 O VAL A 36 -5.501 -0.062 -3.796 1.00 72.32 O ATOM 543 CB VAL A 36 -7.088 -1.154 -6.531 1.00 11.22 C ATOM 544 CG1 VAL A 36 -6.175 -2.334 -6.096 1.00 23.51 C ATOM 545 CG2 VAL A 36 -8.414 -1.663 -7.137 1.00 24.13 C ATOM 0 H VAL A 36 -8.552 0.868 -6.768 1.00 44.23 H new ATOM 0 HA VAL A 36 -7.876 -0.679 -4.549 1.00 2.40 H new ATOM 0 HB VAL A 36 -6.549 -0.607 -7.304 1.00 11.22 H new ATOM 0 HG11 VAL A 36 -6.014 -3.001 -6.943 1.00 23.51 H new ATOM 0 HG12 VAL A 36 -5.216 -1.945 -5.753 1.00 23.51 H new ATOM 0 HG13 VAL A 36 -6.654 -2.885 -5.287 1.00 23.51 H new ATOM 0 HG21 VAL A 36 -8.200 -2.355 -7.951 1.00 24.13 H new ATOM 0 HG22 VAL A 36 -8.993 -2.175 -6.368 1.00 24.13 H new ATOM 0 HG23 VAL A 36 -8.987 -0.818 -7.520 1.00 24.13 H new ATOM 555 N GLU A 37 -5.489 1.394 -5.543 1.00 23.41 N ATOM 556 CA GLU A 37 -4.250 2.118 -5.190 1.00 44.52 C ATOM 557 C GLU A 37 -4.384 2.836 -3.826 1.00 12.04 C ATOM 558 O GLU A 37 -3.518 2.708 -2.956 1.00 63.54 O ATOM 559 CB GLU A 37 -3.940 3.162 -6.284 1.00 63.54 C ATOM 560 CG GLU A 37 -3.852 2.597 -7.709 1.00 40.43 C ATOM 561 CD GLU A 37 -3.584 3.689 -8.765 1.00 11.23 C ATOM 562 OE1 GLU A 37 -2.476 4.251 -8.772 1.00 54.32 O ATOM 563 OE2 GLU A 37 -4.487 3.994 -9.578 1.00 1.12 O ATOM 0 H GLU A 37 -5.917 1.730 -6.406 1.00 23.41 H new ATOM 0 HA GLU A 37 -3.441 1.391 -5.116 1.00 44.52 H new ATOM 0 HB2 GLU A 37 -4.712 3.932 -6.261 1.00 63.54 H new ATOM 0 HB3 GLU A 37 -2.996 3.650 -6.043 1.00 63.54 H new ATOM 0 HG2 GLU A 37 -3.057 1.852 -7.752 1.00 40.43 H new ATOM 0 HG3 GLU A 37 -4.783 2.084 -7.951 1.00 40.43 H new ATOM 570 N SER A 38 -5.499 3.581 -3.669 1.00 42.21 N ATOM 571 CA SER A 38 -5.825 4.343 -2.436 1.00 40.54 C ATOM 572 C SER A 38 -5.893 3.422 -1.207 1.00 13.11 C ATOM 573 O SER A 38 -5.369 3.752 -0.143 1.00 63.20 O ATOM 574 CB SER A 38 -7.183 5.068 -2.597 1.00 10.11 C ATOM 575 OG SER A 38 -7.186 5.908 -3.736 1.00 11.33 O ATOM 0 H SER A 38 -6.206 3.674 -4.398 1.00 42.21 H new ATOM 0 HA SER A 38 -5.029 5.072 -2.284 1.00 40.54 H new ATOM 0 HB2 SER A 38 -7.982 4.332 -2.683 1.00 10.11 H new ATOM 0 HB3 SER A 38 -7.389 5.660 -1.705 1.00 10.11 H new ATOM 0 HG SER A 38 -8.097 6.226 -3.906 1.00 11.33 H new ATOM 581 N THR A 39 -6.539 2.262 -1.400 1.00 41.13 N ATOM 582 CA THR A 39 -6.734 1.248 -0.351 1.00 64.34 C ATOM 583 C THR A 39 -5.404 0.552 0.031 1.00 44.35 C ATOM 584 O THR A 39 -5.097 0.455 1.201 1.00 32.13 O ATOM 585 CB THR A 39 -7.795 0.194 -0.805 1.00 30.03 C ATOM 586 OG1 THR A 39 -9.033 0.860 -1.093 1.00 72.22 O ATOM 587 CG2 THR A 39 -8.046 -0.896 0.252 1.00 12.22 C ATOM 0 H THR A 39 -6.945 1.998 -2.298 1.00 41.13 H new ATOM 0 HA THR A 39 -7.101 1.759 0.539 1.00 64.34 H new ATOM 0 HB THR A 39 -7.398 -0.298 -1.693 1.00 30.03 H new ATOM 0 HG1 THR A 39 -8.967 1.312 -1.960 1.00 72.22 H new ATOM 0 HG21 THR A 39 -8.792 -1.599 -0.120 1.00 12.22 H new ATOM 0 HG22 THR A 39 -7.116 -1.427 0.455 1.00 12.22 H new ATOM 0 HG23 THR A 39 -8.408 -0.435 1.171 1.00 12.22 H new ATOM 595 N ALA A 40 -4.617 0.100 -0.969 1.00 63.40 N ATOM 596 CA ALA A 40 -3.319 -0.611 -0.741 1.00 34.41 C ATOM 597 C ALA A 40 -2.278 0.281 -0.006 1.00 51.43 C ATOM 598 O ALA A 40 -1.537 -0.186 0.868 1.00 40.32 O ATOM 599 CB ALA A 40 -2.758 -1.095 -2.088 1.00 70.31 C ATOM 0 H ALA A 40 -4.853 0.212 -1.955 1.00 63.40 H new ATOM 0 HA ALA A 40 -3.514 -1.466 -0.093 1.00 34.41 H new ATOM 0 HB1 ALA A 40 -1.813 -1.613 -1.924 1.00 70.31 H new ATOM 0 HB2 ALA A 40 -3.469 -1.777 -2.554 1.00 70.31 H new ATOM 0 HB3 ALA A 40 -2.594 -0.239 -2.742 1.00 70.31 H new ATOM 605 N LEU A 41 -2.267 1.572 -0.379 1.00 42.50 N ATOM 606 CA LEU A 41 -1.448 2.627 0.256 1.00 41.20 C ATOM 607 C LEU A 41 -1.934 2.881 1.715 1.00 74.14 C ATOM 608 O LEU A 41 -1.124 3.044 2.638 1.00 43.35 O ATOM 609 CB LEU A 41 -1.516 3.891 -0.686 1.00 72.40 C ATOM 610 CG LEU A 41 -0.992 5.296 -0.205 1.00 40.43 C ATOM 611 CD1 LEU A 41 -2.060 6.047 0.613 1.00 51.35 C ATOM 612 CD2 LEU A 41 0.359 5.199 0.548 1.00 51.02 C ATOM 0 H LEU A 41 -2.839 1.922 -1.147 1.00 42.50 H new ATOM 0 HA LEU A 41 -0.402 2.338 0.360 1.00 41.20 H new ATOM 0 HB2 LEU A 41 -0.968 3.641 -1.594 1.00 72.40 H new ATOM 0 HB3 LEU A 41 -2.560 4.021 -0.970 1.00 72.40 H new ATOM 0 HG LEU A 41 -0.798 5.885 -1.101 1.00 40.43 H new ATOM 0 HD11 LEU A 41 -1.664 7.012 0.929 1.00 51.35 H new ATOM 0 HD12 LEU A 41 -2.947 6.202 -0.002 1.00 51.35 H new ATOM 0 HD13 LEU A 41 -2.326 5.459 1.491 1.00 51.35 H new ATOM 0 HD21 LEU A 41 0.675 6.195 0.858 1.00 51.02 H new ATOM 0 HD22 LEU A 41 0.241 4.566 1.427 1.00 51.02 H new ATOM 0 HD23 LEU A 41 1.113 4.768 -0.111 1.00 51.02 H new ATOM 624 N ALA A 42 -3.263 2.886 1.900 1.00 62.40 N ATOM 625 CA ALA A 42 -3.904 3.102 3.218 1.00 50.01 C ATOM 626 C ALA A 42 -3.680 1.905 4.183 1.00 5.10 C ATOM 627 O ALA A 42 -3.529 2.095 5.389 1.00 70.20 O ATOM 628 CB ALA A 42 -5.398 3.383 3.017 1.00 53.11 C ATOM 0 H ALA A 42 -3.930 2.741 1.142 1.00 62.40 H new ATOM 0 HA ALA A 42 -3.435 3.966 3.689 1.00 50.01 H new ATOM 0 HB1 ALA A 42 -5.872 3.542 3.986 1.00 53.11 H new ATOM 0 HB2 ALA A 42 -5.521 4.274 2.402 1.00 53.11 H new ATOM 0 HB3 ALA A 42 -5.865 2.532 2.520 1.00 53.11 H new ATOM 634 N VAL A 43 -3.646 0.675 3.633 1.00 43.22 N ATOM 635 CA VAL A 43 -3.312 -0.554 4.393 1.00 45.14 C ATOM 636 C VAL A 43 -1.828 -0.524 4.845 1.00 43.41 C ATOM 637 O VAL A 43 -1.485 -1.029 5.919 1.00 51.45 O ATOM 638 CB VAL A 43 -3.610 -1.852 3.542 1.00 32.43 C ATOM 639 CG1 VAL A 43 -3.146 -3.146 4.258 1.00 2.21 C ATOM 640 CG2 VAL A 43 -5.115 -1.954 3.186 1.00 43.33 C ATOM 0 H VAL A 43 -3.849 0.502 2.649 1.00 43.22 H new ATOM 0 HA VAL A 43 -3.945 -0.585 5.280 1.00 45.14 H new ATOM 0 HB VAL A 43 -3.033 -1.757 2.622 1.00 32.43 H new ATOM 0 HG11 VAL A 43 -3.373 -4.009 3.633 1.00 2.21 H new ATOM 0 HG12 VAL A 43 -2.071 -3.099 4.435 1.00 2.21 H new ATOM 0 HG13 VAL A 43 -3.667 -3.241 5.211 1.00 2.21 H new ATOM 0 HG21 VAL A 43 -5.290 -2.857 2.600 1.00 43.33 H new ATOM 0 HG22 VAL A 43 -5.704 -1.996 4.102 1.00 43.33 H new ATOM 0 HG23 VAL A 43 -5.411 -1.081 2.604 1.00 43.33 H new ATOM 650 N GLY A 44 -0.967 0.094 4.014 1.00 0.31 N ATOM 651 CA GLY A 44 0.439 0.327 4.366 1.00 12.33 C ATOM 652 C GLY A 44 0.620 1.327 5.523 1.00 11.11 C ATOM 653 O GLY A 44 1.555 1.202 6.324 1.00 31.54 O ATOM 0 H GLY A 44 -1.226 0.441 3.091 1.00 0.31 H new ATOM 0 HA2 GLY A 44 0.900 -0.622 4.640 1.00 12.33 H new ATOM 0 HA3 GLY A 44 0.969 0.697 3.489 1.00 12.33 H new ATOM 657 N TRP A 45 -0.284 2.327 5.604 1.00 43.14 N ATOM 658 CA TRP A 45 -0.345 3.267 6.751 1.00 45.41 C ATOM 659 C TRP A 45 -0.837 2.539 8.029 1.00 25.13 C ATOM 660 O TRP A 45 -0.351 2.801 9.138 1.00 13.25 O ATOM 661 CB TRP A 45 -1.263 4.479 6.423 1.00 33.13 C ATOM 662 CG TRP A 45 -1.392 5.478 7.564 1.00 52.35 C ATOM 663 CD1 TRP A 45 -2.460 5.644 8.410 1.00 35.10 C ATOM 664 CD2 TRP A 45 -0.395 6.419 7.999 1.00 45.25 C ATOM 665 NE1 TRP A 45 -2.190 6.629 9.323 1.00 21.03 N ATOM 666 CE2 TRP A 45 -0.936 7.124 9.092 1.00 24.13 C ATOM 667 CE3 TRP A 45 0.897 6.742 7.560 1.00 35.21 C ATOM 668 CZ2 TRP A 45 -0.230 8.121 9.760 1.00 22.32 C ATOM 669 CZ3 TRP A 45 1.595 7.733 8.223 1.00 0.41 C ATOM 670 CH2 TRP A 45 1.031 8.416 9.311 1.00 63.42 C ATOM 0 H TRP A 45 -0.986 2.507 4.886 1.00 43.14 H new ATOM 0 HA TRP A 45 0.661 3.643 6.936 1.00 45.41 H new ATOM 0 HB2 TRP A 45 -0.871 4.993 5.545 1.00 33.13 H new ATOM 0 HB3 TRP A 45 -2.255 4.111 6.161 1.00 33.13 H new ATOM 0 HD1 TRP A 45 -3.380 5.080 8.363 1.00 35.10 H new ATOM 0 HE1 TRP A 45 -2.823 6.943 10.058 1.00 21.03 H new ATOM 0 HE3 TRP A 45 1.338 6.226 6.720 1.00 35.21 H new ATOM 0 HZ2 TRP A 45 -0.661 8.643 10.602 1.00 22.32 H new ATOM 0 HZ3 TRP A 45 2.593 7.987 7.898 1.00 0.41 H new ATOM 0 HH2 TRP A 45 1.601 9.189 9.804 1.00 63.42 H new ATOM 681 N LEU A 46 -1.802 1.618 7.860 1.00 43.43 N ATOM 682 CA LEU A 46 -2.297 0.765 8.961 1.00 14.53 C ATOM 683 C LEU A 46 -1.212 -0.232 9.436 1.00 72.45 C ATOM 684 O LEU A 46 -1.211 -0.627 10.592 1.00 32.35 O ATOM 685 CB LEU A 46 -3.597 0.023 8.546 1.00 23.11 C ATOM 686 CG LEU A 46 -4.833 0.925 8.240 1.00 62.23 C ATOM 687 CD1 LEU A 46 -6.083 0.083 7.904 1.00 31.02 C ATOM 688 CD2 LEU A 46 -5.114 1.906 9.401 1.00 31.04 C ATOM 0 H LEU A 46 -2.259 1.443 6.965 1.00 43.43 H new ATOM 0 HA LEU A 46 -2.534 1.415 9.803 1.00 14.53 H new ATOM 0 HB2 LEU A 46 -3.382 -0.577 7.662 1.00 23.11 H new ATOM 0 HB3 LEU A 46 -3.866 -0.670 9.343 1.00 23.11 H new ATOM 0 HG LEU A 46 -4.592 1.517 7.357 1.00 62.23 H new ATOM 0 HD11 LEU A 46 -6.923 0.746 7.697 1.00 31.02 H new ATOM 0 HD12 LEU A 46 -5.882 -0.533 7.028 1.00 31.02 H new ATOM 0 HD13 LEU A 46 -6.327 -0.559 8.750 1.00 31.02 H new ATOM 0 HD21 LEU A 46 -5.981 2.520 9.157 1.00 31.04 H new ATOM 0 HD22 LEU A 46 -5.313 1.343 10.313 1.00 31.04 H new ATOM 0 HD23 LEU A 46 -4.246 2.548 9.553 1.00 31.04 H new ATOM 700 N ALA A 47 -0.320 -0.660 8.517 1.00 61.32 N ATOM 701 CA ALA A 47 0.885 -1.469 8.860 1.00 40.20 C ATOM 702 C ALA A 47 1.851 -0.707 9.812 1.00 31.43 C ATOM 703 O ALA A 47 2.499 -1.324 10.668 1.00 54.21 O ATOM 704 CB ALA A 47 1.615 -1.914 7.578 1.00 20.15 C ATOM 0 H ALA A 47 -0.408 -0.460 7.521 1.00 61.32 H new ATOM 0 HA ALA A 47 0.544 -2.355 9.396 1.00 40.20 H new ATOM 0 HB1 ALA A 47 2.492 -2.503 7.845 1.00 20.15 H new ATOM 0 HB2 ALA A 47 0.944 -2.518 6.968 1.00 20.15 H new ATOM 0 HB3 ALA A 47 1.926 -1.035 7.013 1.00 20.15 H new ATOM 710 N ARG A 48 1.941 0.634 9.651 1.00 11.34 N ATOM 711 CA ARG A 48 2.668 1.517 10.607 1.00 30.52 C ATOM 712 C ARG A 48 2.020 1.464 12.012 1.00 43.14 C ATOM 713 O ARG A 48 2.706 1.279 13.025 1.00 61.03 O ATOM 714 CB ARG A 48 2.678 2.991 10.102 1.00 32.01 C ATOM 715 CG ARG A 48 3.130 4.033 11.166 1.00 63.15 C ATOM 716 CD ARG A 48 3.157 5.478 10.639 1.00 14.15 C ATOM 717 NE ARG A 48 3.306 6.454 11.739 1.00 63.11 N ATOM 718 CZ ARG A 48 3.969 7.591 11.686 1.00 24.51 C ATOM 719 NH1 ARG A 48 4.685 7.909 10.647 1.00 73.14 N ATOM 720 NH2 ARG A 48 3.929 8.389 12.704 1.00 74.35 N ATOM 0 H ARG A 48 1.520 1.134 8.868 1.00 11.34 H new ATOM 0 HA ARG A 48 3.693 1.153 10.673 1.00 30.52 H new ATOM 0 HB2 ARG A 48 3.339 3.062 9.238 1.00 32.01 H new ATOM 0 HB3 ARG A 48 1.677 3.251 9.759 1.00 32.01 H new ATOM 0 HG2 ARG A 48 2.458 3.980 12.023 1.00 63.15 H new ATOM 0 HG3 ARG A 48 4.125 3.767 11.524 1.00 63.15 H new ATOM 0 HD2 ARG A 48 3.981 5.594 9.935 1.00 14.15 H new ATOM 0 HD3 ARG A 48 2.237 5.684 10.091 1.00 14.15 H new ATOM 0 HE ARG A 48 2.852 6.225 12.623 1.00 63.11 H new ATOM 0 HH11 ARG A 48 4.741 7.272 9.852 1.00 73.14 H new ATOM 0 HH12 ARG A 48 5.190 8.795 10.628 1.00 73.14 H new ATOM 0 HH21 ARG A 48 3.390 8.134 13.531 1.00 74.35 H new ATOM 0 HH22 ARG A 48 4.437 9.273 12.679 1.00 74.35 H new ATOM 734 N GLU A 49 0.690 1.639 12.042 1.00 43.24 N ATOM 735 CA GLU A 49 -0.099 1.690 13.293 1.00 50.21 C ATOM 736 C GLU A 49 -0.380 0.274 13.845 1.00 74.21 C ATOM 737 O GLU A 49 -0.908 0.129 14.954 1.00 70.12 O ATOM 738 CB GLU A 49 -1.433 2.435 13.037 1.00 44.23 C ATOM 739 CG GLU A 49 -1.283 3.825 12.380 1.00 32.53 C ATOM 740 CD GLU A 49 -2.621 4.572 12.171 1.00 31.30 C ATOM 741 OE1 GLU A 49 -3.652 3.913 11.906 1.00 31.42 O ATOM 742 OE2 GLU A 49 -2.646 5.816 12.282 1.00 4.40 O ATOM 0 H GLU A 49 0.125 1.750 11.200 1.00 43.24 H new ATOM 0 HA GLU A 49 0.484 2.228 14.041 1.00 50.21 H new ATOM 0 HB2 GLU A 49 -2.063 1.814 12.401 1.00 44.23 H new ATOM 0 HB3 GLU A 49 -1.956 2.552 13.986 1.00 44.23 H new ATOM 0 HG2 GLU A 49 -0.629 4.439 12.999 1.00 32.53 H new ATOM 0 HG3 GLU A 49 -0.790 3.708 11.415 1.00 32.53 H new ATOM 749 N ASN A 50 -0.040 -0.756 13.026 1.00 40.55 N ATOM 750 CA ASN A 50 -0.229 -2.191 13.345 1.00 51.44 C ATOM 751 C ASN A 50 -1.731 -2.556 13.508 1.00 30.31 C ATOM 752 O ASN A 50 -2.080 -3.525 14.179 1.00 5.15 O ATOM 753 CB ASN A 50 0.622 -2.577 14.579 1.00 35.33 C ATOM 754 CG ASN A 50 2.122 -2.447 14.316 1.00 52.12 C ATOM 755 OD1 ASN A 50 2.790 -3.406 13.996 1.00 0.01 O ATOM 756 ND2 ASN A 50 2.650 -1.243 14.400 1.00 51.51 N ATOM 0 H ASN A 50 0.381 -0.606 12.109 1.00 40.55 H new ATOM 0 HA ASN A 50 0.126 -2.785 12.502 1.00 51.44 H new ATOM 0 HB2 ASN A 50 0.347 -1.941 15.420 1.00 35.33 H new ATOM 0 HB3 ASN A 50 0.394 -3.603 14.868 1.00 35.33 H new ATOM 0 HD21 ASN A 50 3.639 -1.104 14.194 1.00 51.51 H new ATOM 0 HD22 ASN A 50 2.070 -0.449 14.671 1.00 51.51 H new ATOM 763 N LYS A 51 -2.594 -1.777 12.821 1.00 60.23 N ATOM 764 CA LYS A 51 -4.056 -2.001 12.754 1.00 24.23 C ATOM 765 C LYS A 51 -4.421 -3.261 11.928 1.00 13.45 C ATOM 766 O LYS A 51 -5.551 -3.756 12.020 1.00 30.31 O ATOM 767 CB LYS A 51 -4.749 -0.779 12.104 1.00 14.32 C ATOM 768 CG LYS A 51 -4.624 0.558 12.857 1.00 32.44 C ATOM 769 CD LYS A 51 -5.255 0.540 14.265 1.00 42.24 C ATOM 770 CE LYS A 51 -5.543 1.961 14.786 1.00 61.42 C ATOM 771 NZ LYS A 51 -4.355 2.861 14.696 1.00 25.05 N ATOM 0 H LYS A 51 -2.291 -0.962 12.289 1.00 60.23 H new ATOM 0 HA LYS A 51 -4.399 -2.145 13.778 1.00 24.23 H new ATOM 0 HB2 LYS A 51 -4.340 -0.647 11.102 1.00 14.32 H new ATOM 0 HB3 LYS A 51 -5.808 -1.008 11.988 1.00 14.32 H new ATOM 0 HG2 LYS A 51 -3.569 0.818 12.945 1.00 32.44 H new ATOM 0 HG3 LYS A 51 -5.097 1.343 12.267 1.00 32.44 H new ATOM 0 HD2 LYS A 51 -6.183 -0.032 14.239 1.00 42.24 H new ATOM 0 HD3 LYS A 51 -4.585 0.029 14.956 1.00 42.24 H new ATOM 0 HE2 LYS A 51 -6.365 2.393 14.215 1.00 61.42 H new ATOM 0 HE3 LYS A 51 -5.872 1.903 15.824 1.00 61.42 H new ATOM 0 HZ1 LYS A 51 -4.600 3.798 15.075 1.00 25.05 H new ATOM 0 HZ2 LYS A 51 -3.571 2.458 15.248 1.00 25.05 H new ATOM 0 HZ3 LYS A 51 -4.065 2.955 13.702 1.00 25.05 H new ATOM 785 N VAL A 52 -3.475 -3.751 11.099 1.00 63.43 N ATOM 786 CA VAL A 52 -3.708 -4.901 10.193 1.00 53.34 C ATOM 787 C VAL A 52 -2.615 -5.985 10.325 1.00 12.23 C ATOM 788 O VAL A 52 -1.480 -5.700 10.726 1.00 4.24 O ATOM 789 CB VAL A 52 -3.789 -4.437 8.683 1.00 45.22 C ATOM 790 CG1 VAL A 52 -4.982 -3.484 8.457 1.00 13.53 C ATOM 791 CG2 VAL A 52 -2.458 -3.787 8.201 1.00 33.41 C ATOM 0 H VAL A 52 -2.533 -3.365 11.037 1.00 63.43 H new ATOM 0 HA VAL A 52 -4.662 -5.332 10.496 1.00 53.34 H new ATOM 0 HB VAL A 52 -3.949 -5.332 8.081 1.00 45.22 H new ATOM 0 HG11 VAL A 52 -5.013 -3.181 7.410 1.00 13.53 H new ATOM 0 HG12 VAL A 52 -5.910 -3.995 8.714 1.00 13.53 H new ATOM 0 HG13 VAL A 52 -4.867 -2.602 9.087 1.00 13.53 H new ATOM 0 HG21 VAL A 52 -2.558 -3.483 7.159 1.00 33.41 H new ATOM 0 HG22 VAL A 52 -2.237 -2.913 8.814 1.00 33.41 H new ATOM 0 HG23 VAL A 52 -1.647 -4.509 8.292 1.00 33.41 H new ATOM 801 N VAL A 53 -2.985 -7.238 9.985 1.00 73.45 N ATOM 802 CA VAL A 53 -2.023 -8.337 9.745 1.00 44.11 C ATOM 803 C VAL A 53 -2.207 -8.864 8.302 1.00 10.04 C ATOM 804 O VAL A 53 -3.337 -9.071 7.838 1.00 64.42 O ATOM 805 CB VAL A 53 -2.142 -9.509 10.805 1.00 75.32 C ATOM 806 CG1 VAL A 53 -1.837 -8.986 12.229 1.00 54.13 C ATOM 807 CG2 VAL A 53 -3.520 -10.198 10.770 1.00 64.20 C ATOM 0 H VAL A 53 -3.959 -7.517 9.869 1.00 73.45 H new ATOM 0 HA VAL A 53 -1.017 -7.935 9.866 1.00 44.11 H new ATOM 0 HB VAL A 53 -1.401 -10.260 10.532 1.00 75.32 H new ATOM 0 HG11 VAL A 53 -1.924 -9.805 12.944 1.00 54.13 H new ATOM 0 HG12 VAL A 53 -0.825 -8.583 12.260 1.00 54.13 H new ATOM 0 HG13 VAL A 53 -2.548 -8.201 12.488 1.00 54.13 H new ATOM 0 HG21 VAL A 53 -3.548 -10.993 11.515 1.00 64.20 H new ATOM 0 HG22 VAL A 53 -4.298 -9.467 10.990 1.00 64.20 H new ATOM 0 HG23 VAL A 53 -3.690 -10.622 9.780 1.00 64.20 H new ATOM 817 N ILE A 54 -1.092 -9.021 7.570 1.00 25.14 N ATOM 818 CA ILE A 54 -1.109 -9.373 6.131 1.00 12.11 C ATOM 819 C ILE A 54 -0.587 -10.809 5.895 1.00 41.41 C ATOM 820 O ILE A 54 0.538 -11.146 6.278 1.00 10.03 O ATOM 821 CB ILE A 54 -0.242 -8.340 5.308 1.00 75.35 C ATOM 822 CG1 ILE A 54 -0.778 -6.882 5.489 1.00 14.21 C ATOM 823 CG2 ILE A 54 -0.145 -8.711 3.807 1.00 72.30 C ATOM 824 CD1 ILE A 54 -2.215 -6.661 5.043 1.00 23.23 C ATOM 0 H ILE A 54 -0.153 -8.909 7.953 1.00 25.14 H new ATOM 0 HA ILE A 54 -2.143 -9.330 5.788 1.00 12.11 H new ATOM 0 HB ILE A 54 0.769 -8.388 5.713 1.00 75.35 H new ATOM 0 HG12 ILE A 54 -0.695 -6.609 6.541 1.00 14.21 H new ATOM 0 HG13 ILE A 54 -0.133 -6.203 4.932 1.00 14.21 H new ATOM 0 HG21 ILE A 54 0.461 -7.969 3.287 1.00 72.30 H new ATOM 0 HG22 ILE A 54 0.316 -9.693 3.704 1.00 72.30 H new ATOM 0 HG23 ILE A 54 -1.144 -8.732 3.372 1.00 72.30 H new ATOM 0 HD11 ILE A 54 -2.492 -5.620 5.209 1.00 23.23 H new ATOM 0 HD12 ILE A 54 -2.307 -6.896 3.983 1.00 23.23 H new ATOM 0 HD13 ILE A 54 -2.878 -7.309 5.617 1.00 23.23 H new ATOM 836 N GLU A 55 -1.410 -11.652 5.246 1.00 71.12 N ATOM 837 CA GLU A 55 -1.018 -13.027 4.854 1.00 74.21 C ATOM 838 C GLU A 55 -0.767 -13.128 3.340 1.00 21.35 C ATOM 839 O GLU A 55 -1.266 -12.324 2.565 1.00 52.21 O ATOM 840 CB GLU A 55 -2.118 -14.052 5.238 1.00 3.34 C ATOM 841 CG GLU A 55 -2.460 -14.104 6.736 1.00 4.03 C ATOM 842 CD GLU A 55 -3.317 -15.332 7.118 1.00 53.10 C ATOM 843 OE1 GLU A 55 -4.329 -15.599 6.438 1.00 62.13 O ATOM 844 OE2 GLU A 55 -2.984 -16.039 8.096 1.00 52.04 O ATOM 0 H GLU A 55 -2.363 -11.405 4.977 1.00 71.12 H new ATOM 0 HA GLU A 55 -0.097 -13.256 5.391 1.00 74.21 H new ATOM 0 HB2 GLU A 55 -3.025 -13.816 4.681 1.00 3.34 H new ATOM 0 HB3 GLU A 55 -1.797 -15.044 4.919 1.00 3.34 H new ATOM 0 HG2 GLU A 55 -1.536 -14.119 7.314 1.00 4.03 H new ATOM 0 HG3 GLU A 55 -2.994 -13.195 7.013 1.00 4.03 H new ATOM 851 N ARG A 56 0.050 -14.116 2.938 1.00 13.10 N ATOM 852 CA ARG A 56 0.079 -14.616 1.549 1.00 63.52 C ATOM 853 C ARG A 56 -0.498 -16.041 1.577 1.00 33.31 C ATOM 854 O ARG A 56 0.211 -17.014 1.849 1.00 53.20 O ATOM 855 CB ARG A 56 1.519 -14.602 0.936 1.00 13.24 C ATOM 856 CG ARG A 56 2.205 -13.209 0.898 1.00 44.51 C ATOM 857 CD ARG A 56 2.808 -12.798 2.252 1.00 54.31 C ATOM 858 NE ARG A 56 3.312 -11.407 2.249 1.00 44.24 N ATOM 859 CZ ARG A 56 3.197 -10.549 3.248 1.00 31.43 C ATOM 860 NH1 ARG A 56 2.613 -10.892 4.359 1.00 11.20 N ATOM 861 NH2 ARG A 56 3.677 -9.349 3.119 1.00 24.13 N ATOM 0 H ARG A 56 0.705 -14.589 3.560 1.00 13.10 H new ATOM 0 HA ARG A 56 -0.514 -13.962 0.909 1.00 63.52 H new ATOM 0 HB2 ARG A 56 2.148 -15.284 1.509 1.00 13.24 H new ATOM 0 HB3 ARG A 56 1.468 -14.993 -0.080 1.00 13.24 H new ATOM 0 HG2 ARG A 56 2.992 -13.218 0.144 1.00 44.51 H new ATOM 0 HG3 ARG A 56 1.476 -12.460 0.589 1.00 44.51 H new ATOM 0 HD2 ARG A 56 2.052 -12.906 3.030 1.00 54.31 H new ATOM 0 HD3 ARG A 56 3.624 -13.476 2.504 1.00 54.31 H new ATOM 0 HE ARG A 56 3.787 -11.083 1.407 1.00 44.24 H new ATOM 0 HH11 ARG A 56 2.237 -11.834 4.468 1.00 11.20 H new ATOM 0 HH12 ARG A 56 2.532 -10.219 5.121 1.00 11.20 H new ATOM 0 HH21 ARG A 56 4.138 -9.075 2.252 1.00 24.13 H new ATOM 0 HH22 ARG A 56 3.592 -8.681 3.885 1.00 24.13 H new ATOM 875 N LYS A 57 -1.804 -16.143 1.322 1.00 72.41 N ATOM 876 CA LYS A 57 -2.567 -17.408 1.432 1.00 42.05 C ATOM 877 C LYS A 57 -2.871 -17.932 0.015 1.00 53.04 C ATOM 878 O LYS A 57 -3.620 -17.309 -0.747 1.00 73.24 O ATOM 879 CB LYS A 57 -3.838 -17.174 2.303 1.00 53.35 C ATOM 880 CG LYS A 57 -4.788 -16.059 1.805 1.00 51.32 C ATOM 881 CD LYS A 57 -5.813 -15.582 2.867 1.00 51.03 C ATOM 882 CE LYS A 57 -6.657 -16.704 3.513 1.00 54.24 C ATOM 883 NZ LYS A 57 -6.001 -17.266 4.724 1.00 31.33 N ATOM 0 H LYS A 57 -2.375 -15.349 1.030 1.00 72.41 H new ATOM 0 HA LYS A 57 -1.988 -18.181 1.938 1.00 42.05 H new ATOM 0 HB2 LYS A 57 -4.398 -18.108 2.357 1.00 53.35 H new ATOM 0 HB3 LYS A 57 -3.523 -16.933 3.318 1.00 53.35 H new ATOM 0 HG2 LYS A 57 -4.192 -15.206 1.482 1.00 51.32 H new ATOM 0 HG3 LYS A 57 -5.328 -16.420 0.930 1.00 51.32 H new ATOM 0 HD2 LYS A 57 -5.277 -15.052 3.655 1.00 51.03 H new ATOM 0 HD3 LYS A 57 -6.487 -14.863 2.402 1.00 51.03 H new ATOM 0 HE2 LYS A 57 -7.638 -16.312 3.781 1.00 54.24 H new ATOM 0 HE3 LYS A 57 -6.820 -17.500 2.786 1.00 54.24 H new ATOM 0 HZ1 LYS A 57 -6.722 -17.676 5.351 1.00 31.33 H new ATOM 0 HZ2 LYS A 57 -5.326 -18.005 4.442 1.00 31.33 H new ATOM 0 HZ3 LYS A 57 -5.495 -16.510 5.227 1.00 31.33 H new ATOM 897 N ASN A 58 -2.228 -19.071 -0.333 1.00 23.21 N ATOM 898 CA ASN A 58 -2.050 -19.539 -1.736 1.00 62.01 C ATOM 899 C ASN A 58 -1.248 -18.484 -2.555 1.00 11.43 C ATOM 900 O ASN A 58 -1.406 -18.362 -3.778 1.00 4.21 O ATOM 901 CB ASN A 58 -3.419 -19.863 -2.402 1.00 64.14 C ATOM 902 CG ASN A 58 -4.226 -20.916 -1.639 1.00 34.31 C ATOM 903 OD1 ASN A 58 -3.672 -21.845 -1.054 1.00 53.44 O ATOM 904 ND2 ASN A 58 -5.535 -20.776 -1.626 1.00 53.14 N ATOM 0 H ASN A 58 -1.813 -19.699 0.355 1.00 23.21 H new ATOM 0 HA ASN A 58 -1.477 -20.466 -1.722 1.00 62.01 H new ATOM 0 HB2 ASN A 58 -4.006 -18.947 -2.475 1.00 64.14 H new ATOM 0 HB3 ASN A 58 -3.247 -20.213 -3.420 1.00 64.14 H new ATOM 0 HD21 ASN A 58 -6.115 -21.447 -1.122 1.00 53.14 H new ATOM 0 HD22 ASN A 58 -5.969 -19.996 -2.120 1.00 53.14 H new ATOM 911 N GLY A 59 -0.351 -17.749 -1.844 1.00 62.43 N ATOM 912 CA GLY A 59 0.403 -16.619 -2.414 1.00 25.44 C ATOM 913 C GLY A 59 -0.395 -15.300 -2.505 1.00 54.31 C ATOM 914 O GLY A 59 0.195 -14.234 -2.719 1.00 2.52 O ATOM 0 H GLY A 59 -0.137 -17.929 -0.863 1.00 62.43 H new ATOM 0 HA2 GLY A 59 1.293 -16.450 -1.808 1.00 25.44 H new ATOM 0 HA3 GLY A 59 0.744 -16.893 -3.412 1.00 25.44 H new ATOM 918 N LEU A 60 -1.730 -15.369 -2.323 1.00 41.14 N ATOM 919 CA LEU A 60 -2.627 -14.200 -2.443 1.00 65.21 C ATOM 920 C LEU A 60 -2.574 -13.319 -1.172 1.00 73.33 C ATOM 921 O LEU A 60 -2.921 -13.769 -0.076 1.00 5.01 O ATOM 922 CB LEU A 60 -4.082 -14.673 -2.727 1.00 13.14 C ATOM 923 CG LEU A 60 -4.281 -15.528 -4.022 1.00 21.44 C ATOM 924 CD1 LEU A 60 -5.770 -15.898 -4.226 1.00 23.42 C ATOM 925 CD2 LEU A 60 -3.691 -14.817 -5.263 1.00 70.34 C ATOM 0 H LEU A 60 -2.216 -16.235 -2.089 1.00 41.14 H new ATOM 0 HA LEU A 60 -2.286 -13.590 -3.279 1.00 65.21 H new ATOM 0 HB2 LEU A 60 -4.427 -15.256 -1.873 1.00 13.14 H new ATOM 0 HB3 LEU A 60 -4.723 -13.794 -2.793 1.00 13.14 H new ATOM 0 HG LEU A 60 -3.730 -16.460 -3.893 1.00 21.44 H new ATOM 0 HD11 LEU A 60 -5.876 -16.492 -5.134 1.00 23.42 H new ATOM 0 HD12 LEU A 60 -6.122 -16.476 -3.371 1.00 23.42 H new ATOM 0 HD13 LEU A 60 -6.362 -14.987 -4.317 1.00 23.42 H new ATOM 0 HD21 LEU A 60 -3.846 -15.437 -6.146 1.00 70.34 H new ATOM 0 HD22 LEU A 60 -4.188 -13.857 -5.403 1.00 70.34 H new ATOM 0 HD23 LEU A 60 -2.623 -14.655 -5.116 1.00 70.34 H new ATOM 937 N ILE A 61 -2.124 -12.065 -1.345 1.00 40.11 N ATOM 938 CA ILE A 61 -2.004 -11.079 -0.255 1.00 33.34 C ATOM 939 C ILE A 61 -3.393 -10.632 0.251 1.00 45.31 C ATOM 940 O ILE A 61 -4.175 -10.035 -0.492 1.00 42.44 O ATOM 941 CB ILE A 61 -1.145 -9.852 -0.726 1.00 50.05 C ATOM 942 CG1 ILE A 61 0.303 -10.334 -1.057 1.00 72.32 C ATOM 943 CG2 ILE A 61 -1.143 -8.703 0.316 1.00 30.04 C ATOM 944 CD1 ILE A 61 1.248 -9.254 -1.535 1.00 51.32 C ATOM 0 H ILE A 61 -1.831 -11.703 -2.252 1.00 40.11 H new ATOM 0 HA ILE A 61 -1.493 -11.553 0.583 1.00 33.34 H new ATOM 0 HB ILE A 61 -1.597 -9.438 -1.627 1.00 50.05 H new ATOM 0 HG12 ILE A 61 0.727 -10.797 -0.166 1.00 72.32 H new ATOM 0 HG13 ILE A 61 0.245 -11.108 -1.822 1.00 72.32 H new ATOM 0 HG21 ILE A 61 -0.536 -7.877 -0.054 1.00 30.04 H new ATOM 0 HG22 ILE A 61 -2.164 -8.358 0.479 1.00 30.04 H new ATOM 0 HG23 ILE A 61 -0.728 -9.065 1.256 1.00 30.04 H new ATOM 0 HD11 ILE A 61 2.226 -9.690 -1.738 1.00 51.32 H new ATOM 0 HD12 ILE A 61 0.855 -8.804 -2.447 1.00 51.32 H new ATOM 0 HD13 ILE A 61 1.345 -8.488 -0.765 1.00 51.32 H new ATOM 956 N GLU A 62 -3.684 -10.946 1.524 1.00 41.42 N ATOM 957 CA GLU A 62 -4.999 -10.711 2.149 1.00 2.23 C ATOM 958 C GLU A 62 -4.854 -9.893 3.453 1.00 61.32 C ATOM 959 O GLU A 62 -3.914 -10.098 4.231 1.00 21.51 O ATOM 960 CB GLU A 62 -5.681 -12.082 2.417 1.00 11.53 C ATOM 961 CG GLU A 62 -7.118 -12.028 2.980 1.00 74.34 C ATOM 962 CD GLU A 62 -8.079 -11.204 2.113 1.00 21.15 C ATOM 963 OE1 GLU A 62 -8.611 -11.738 1.106 1.00 74.41 O ATOM 964 OE2 GLU A 62 -8.289 -10.022 2.423 1.00 12.15 O ATOM 0 H GLU A 62 -3.007 -11.374 2.156 1.00 41.42 H new ATOM 0 HA GLU A 62 -5.623 -10.126 1.473 1.00 2.23 H new ATOM 0 HB2 GLU A 62 -5.699 -12.644 1.483 1.00 11.53 H new ATOM 0 HB3 GLU A 62 -5.060 -12.643 3.115 1.00 11.53 H new ATOM 0 HG2 GLU A 62 -7.503 -13.044 3.072 1.00 74.34 H new ATOM 0 HG3 GLU A 62 -7.092 -11.605 3.984 1.00 74.34 H new ATOM 971 N ILE A 63 -5.799 -8.963 3.663 1.00 1.34 N ATOM 972 CA ILE A 63 -5.855 -8.091 4.850 1.00 31.50 C ATOM 973 C ILE A 63 -6.750 -8.715 5.959 1.00 5.15 C ATOM 974 O ILE A 63 -7.859 -9.205 5.700 1.00 74.44 O ATOM 975 CB ILE A 63 -6.384 -6.651 4.464 1.00 71.34 C ATOM 976 CG1 ILE A 63 -6.468 -5.724 5.723 1.00 60.33 C ATOM 977 CG2 ILE A 63 -7.743 -6.733 3.729 1.00 53.51 C ATOM 978 CD1 ILE A 63 -7.023 -4.329 5.472 1.00 51.13 C ATOM 0 H ILE A 63 -6.558 -8.792 3.003 1.00 1.34 H new ATOM 0 HA ILE A 63 -4.842 -7.995 5.241 1.00 31.50 H new ATOM 0 HB ILE A 63 -5.666 -6.205 3.776 1.00 71.34 H new ATOM 0 HG12 ILE A 63 -7.089 -6.214 6.473 1.00 60.33 H new ATOM 0 HG13 ILE A 63 -5.469 -5.628 6.149 1.00 60.33 H new ATOM 0 HG21 ILE A 63 -8.081 -5.728 3.476 1.00 53.51 H new ATOM 0 HG22 ILE A 63 -7.628 -7.317 2.816 1.00 53.51 H new ATOM 0 HG23 ILE A 63 -8.478 -7.211 4.376 1.00 53.51 H new ATOM 0 HD11 ILE A 63 -7.039 -3.770 6.408 1.00 51.13 H new ATOM 0 HD12 ILE A 63 -6.392 -3.811 4.750 1.00 51.13 H new ATOM 0 HD13 ILE A 63 -8.037 -4.406 5.079 1.00 51.13 H new ATOM 990 N TYR A 64 -6.233 -8.708 7.191 1.00 32.33 N ATOM 991 CA TYR A 64 -6.965 -9.119 8.409 1.00 64.52 C ATOM 992 C TYR A 64 -6.794 -8.062 9.519 1.00 51.11 C ATOM 993 O TYR A 64 -6.032 -7.097 9.363 1.00 15.04 O ATOM 994 CB TYR A 64 -6.451 -10.505 8.887 1.00 0.43 C ATOM 995 CG TYR A 64 -6.900 -11.694 8.025 1.00 53.43 C ATOM 996 CD1 TYR A 64 -8.134 -12.311 8.243 1.00 22.32 C ATOM 997 CD2 TYR A 64 -6.089 -12.202 7.005 1.00 52.30 C ATOM 998 CE1 TYR A 64 -8.544 -13.383 7.476 1.00 41.45 C ATOM 999 CE2 TYR A 64 -6.500 -13.276 6.237 1.00 44.33 C ATOM 1000 CZ TYR A 64 -7.727 -13.865 6.479 1.00 43.20 C ATOM 1001 OH TYR A 64 -8.137 -14.944 5.722 1.00 21.43 O ATOM 0 H TYR A 64 -5.276 -8.412 7.381 1.00 32.33 H new ATOM 0 HA TYR A 64 -8.027 -9.200 8.178 1.00 64.52 H new ATOM 0 HB2 TYR A 64 -5.361 -10.484 8.911 1.00 0.43 H new ATOM 0 HB3 TYR A 64 -6.789 -10.669 9.910 1.00 0.43 H new ATOM 0 HD1 TYR A 64 -8.780 -11.942 9.026 1.00 22.32 H new ATOM 0 HD2 TYR A 64 -5.127 -11.749 6.814 1.00 52.30 H new ATOM 0 HE1 TYR A 64 -9.504 -13.843 7.658 1.00 41.45 H new ATOM 0 HE2 TYR A 64 -5.864 -13.654 5.450 1.00 44.33 H new ATOM 0 HH TYR A 64 -9.115 -14.946 5.659 1.00 21.43 H new ATOM 1011 N ASN A 65 -7.524 -8.246 10.629 1.00 53.41 N ATOM 1012 CA ASN A 65 -7.476 -7.334 11.796 1.00 22.41 C ATOM 1013 C ASN A 65 -6.166 -7.512 12.589 1.00 2.21 C ATOM 1014 O ASN A 65 -5.575 -8.598 12.596 1.00 43.01 O ATOM 1015 CB ASN A 65 -8.688 -7.589 12.734 1.00 3.33 C ATOM 1016 CG ASN A 65 -10.044 -7.419 12.055 1.00 72.44 C ATOM 1017 OD1 ASN A 65 -10.178 -7.607 10.862 1.00 1.20 O ATOM 1018 ND2 ASN A 65 -11.059 -7.075 12.820 1.00 41.10 N ATOM 0 H ASN A 65 -8.166 -9.029 10.749 1.00 53.41 H new ATOM 0 HA ASN A 65 -7.519 -6.312 11.419 1.00 22.41 H new ATOM 0 HB2 ASN A 65 -8.618 -8.600 13.135 1.00 3.33 H new ATOM 0 HB3 ASN A 65 -8.629 -6.906 13.581 1.00 3.33 H new ATOM 0 HD21 ASN A 65 -11.988 -6.960 12.414 1.00 41.10 H new ATOM 0 HD22 ASN A 65 -10.917 -6.924 13.819 1.00 41.10 H new ATOM 1025 N GLU A 66 -5.729 -6.412 13.229 1.00 41.41 N ATOM 1026 CA GLU A 66 -4.598 -6.383 14.190 1.00 12.14 C ATOM 1027 C GLU A 66 -4.528 -7.635 15.106 1.00 64.40 C ATOM 1028 O GLU A 66 -3.483 -8.293 15.164 1.00 2.03 O ATOM 1029 CB GLU A 66 -4.691 -5.080 15.028 1.00 25.50 C ATOM 1030 CG GLU A 66 -6.085 -4.770 15.621 1.00 55.22 C ATOM 1031 CD GLU A 66 -6.154 -3.410 16.330 1.00 25.43 C ATOM 1032 OE1 GLU A 66 -5.820 -3.337 17.532 1.00 12.44 O ATOM 1033 OE2 GLU A 66 -6.559 -2.410 15.691 1.00 63.22 O ATOM 0 H GLU A 66 -6.158 -5.496 13.093 1.00 41.41 H new ATOM 0 HA GLU A 66 -3.672 -6.399 13.615 1.00 12.14 H new ATOM 0 HB2 GLU A 66 -3.973 -5.142 15.846 1.00 25.50 H new ATOM 0 HB3 GLU A 66 -4.388 -4.242 14.400 1.00 25.50 H new ATOM 0 HG2 GLU A 66 -6.826 -4.793 14.822 1.00 55.22 H new ATOM 0 HG3 GLU A 66 -6.354 -5.555 16.328 1.00 55.22 H new ATOM 1327 N LYS B 3 5.502 -8.394 9.085 1.00 62.32 N ATOM 1328 CA LYS B 3 6.307 -7.281 9.635 1.00 13.33 C ATOM 1329 C LYS B 3 7.799 -7.336 9.196 1.00 1.41 C ATOM 1330 O LYS B 3 8.466 -6.298 9.112 1.00 10.25 O ATOM 1331 CB LYS B 3 6.168 -7.293 11.183 1.00 44.33 C ATOM 1332 CG LYS B 3 6.387 -5.933 11.879 1.00 63.34 C ATOM 1333 CD LYS B 3 5.410 -4.827 11.401 1.00 42.25 C ATOM 1334 CE LYS B 3 3.921 -5.234 11.463 1.00 3.33 C ATOM 1335 NZ LYS B 3 3.516 -5.751 12.798 1.00 40.23 N ATOM 0 HA LYS B 3 5.924 -6.344 9.232 1.00 13.33 H new ATOM 0 HB2 LYS B 3 5.173 -7.656 11.438 1.00 44.33 H new ATOM 0 HB3 LYS B 3 6.883 -8.009 11.589 1.00 44.33 H new ATOM 0 HG2 LYS B 3 6.277 -6.063 12.956 1.00 63.34 H new ATOM 0 HG3 LYS B 3 7.411 -5.604 11.701 1.00 63.34 H new ATOM 0 HD2 LYS B 3 5.558 -3.937 12.012 1.00 42.25 H new ATOM 0 HD3 LYS B 3 5.659 -4.555 10.375 1.00 42.25 H new ATOM 0 HE2 LYS B 3 3.303 -4.372 11.210 1.00 3.33 H new ATOM 0 HE3 LYS B 3 3.727 -5.997 10.709 1.00 3.33 H new ATOM 0 HZ1 LYS B 3 2.557 -6.148 12.740 1.00 40.23 H new ATOM 0 HZ2 LYS B 3 4.180 -6.492 13.099 1.00 40.23 H new ATOM 0 HZ3 LYS B 3 3.528 -4.974 13.489 1.00 40.23 H new ATOM 1349 N LYS B 4 8.305 -8.552 8.922 1.00 41.10 N ATOM 1350 CA LYS B 4 9.666 -8.767 8.364 1.00 13.23 C ATOM 1351 C LYS B 4 9.664 -8.621 6.818 1.00 61.12 C ATOM 1352 O LYS B 4 10.549 -7.969 6.243 1.00 30.14 O ATOM 1353 CB LYS B 4 10.218 -10.168 8.781 1.00 22.10 C ATOM 1354 CG LYS B 4 10.789 -10.257 10.221 1.00 10.21 C ATOM 1355 CD LYS B 4 9.752 -10.000 11.346 1.00 70.11 C ATOM 1356 CE LYS B 4 10.396 -10.044 12.744 1.00 11.53 C ATOM 1357 NZ LYS B 4 9.404 -9.862 13.831 1.00 33.21 N ATOM 0 H LYS B 4 7.788 -9.417 9.079 1.00 41.10 H new ATOM 0 HA LYS B 4 10.323 -8.000 8.776 1.00 13.23 H new ATOM 0 HB2 LYS B 4 9.417 -10.900 8.680 1.00 22.10 H new ATOM 0 HB3 LYS B 4 11.001 -10.454 8.079 1.00 22.10 H new ATOM 0 HG2 LYS B 4 11.223 -11.246 10.365 1.00 10.21 H new ATOM 0 HG3 LYS B 4 11.600 -9.536 10.321 1.00 10.21 H new ATOM 0 HD2 LYS B 4 9.284 -9.028 11.193 1.00 70.11 H new ATOM 0 HD3 LYS B 4 8.961 -10.747 11.288 1.00 70.11 H new ATOM 0 HE2 LYS B 4 10.905 -10.999 12.877 1.00 11.53 H new ATOM 0 HE3 LYS B 4 11.156 -9.266 12.815 1.00 11.53 H new ATOM 0 HZ1 LYS B 4 9.887 -9.899 14.751 1.00 33.21 H new ATOM 0 HZ2 LYS B 4 8.936 -8.940 13.723 1.00 33.21 H new ATOM 0 HZ3 LYS B 4 8.693 -10.619 13.782 1.00 33.21 H new ATOM 1371 N ILE B 5 8.649 -9.227 6.172 1.00 11.34 N ATOM 1372 CA ILE B 5 8.510 -9.256 4.691 1.00 52.35 C ATOM 1373 C ILE B 5 8.389 -7.829 4.092 1.00 65.50 C ATOM 1374 O ILE B 5 9.063 -7.498 3.118 1.00 54.42 O ATOM 1375 CB ILE B 5 7.258 -10.122 4.267 1.00 13.32 C ATOM 1376 CG1 ILE B 5 7.360 -11.565 4.868 1.00 22.14 C ATOM 1377 CG2 ILE B 5 7.094 -10.172 2.725 1.00 53.03 C ATOM 1378 CD1 ILE B 5 6.141 -12.450 4.632 1.00 62.10 C ATOM 0 H ILE B 5 7.896 -9.714 6.659 1.00 11.34 H new ATOM 0 HA ILE B 5 9.416 -9.712 4.293 1.00 52.35 H new ATOM 0 HB ILE B 5 6.367 -9.642 4.672 1.00 13.32 H new ATOM 0 HG12 ILE B 5 8.235 -12.058 4.444 1.00 22.14 H new ATOM 0 HG13 ILE B 5 7.529 -11.484 5.942 1.00 22.14 H new ATOM 0 HG21 ILE B 5 6.223 -10.776 2.471 1.00 53.03 H new ATOM 0 HG22 ILE B 5 6.959 -9.161 2.341 1.00 53.03 H new ATOM 0 HG23 ILE B 5 7.985 -10.614 2.279 1.00 53.03 H new ATOM 0 HD11 ILE B 5 6.308 -13.427 5.085 1.00 62.10 H new ATOM 0 HD12 ILE B 5 5.263 -11.987 5.081 1.00 62.10 H new ATOM 0 HD13 ILE B 5 5.980 -12.569 3.561 1.00 62.10 H new ATOM 1390 N VAL B 6 7.545 -6.990 4.718 1.00 61.41 N ATOM 1391 CA VAL B 6 7.292 -5.597 4.279 1.00 33.24 C ATOM 1392 C VAL B 6 8.577 -4.730 4.315 1.00 72.20 C ATOM 1393 O VAL B 6 8.740 -3.835 3.490 1.00 54.15 O ATOM 1394 CB VAL B 6 6.162 -4.914 5.145 1.00 45.41 C ATOM 1395 CG1 VAL B 6 4.820 -5.666 5.003 1.00 31.22 C ATOM 1396 CG2 VAL B 6 6.569 -4.811 6.636 1.00 62.23 C ATOM 0 H VAL B 6 7.014 -7.256 5.547 1.00 61.41 H new ATOM 0 HA VAL B 6 6.954 -5.659 3.245 1.00 33.24 H new ATOM 0 HB VAL B 6 6.032 -3.902 4.763 1.00 45.41 H new ATOM 0 HG11 VAL B 6 4.061 -5.173 5.610 1.00 31.22 H new ATOM 0 HG12 VAL B 6 4.509 -5.661 3.958 1.00 31.22 H new ATOM 0 HG13 VAL B 6 4.942 -6.695 5.340 1.00 31.22 H new ATOM 0 HG21 VAL B 6 5.767 -4.336 7.200 1.00 62.23 H new ATOM 0 HG22 VAL B 6 6.750 -5.810 7.034 1.00 62.23 H new ATOM 0 HG23 VAL B 6 7.477 -4.215 6.725 1.00 62.23 H new ATOM 1406 N GLY B 7 9.482 -5.029 5.273 1.00 74.21 N ATOM 1407 CA GLY B 7 10.775 -4.343 5.380 1.00 64.04 C ATOM 1408 C GLY B 7 11.721 -4.683 4.223 1.00 73.22 C ATOM 1409 O GLY B 7 12.338 -3.789 3.629 1.00 5.33 O ATOM 0 H GLY B 7 9.333 -5.746 5.983 1.00 74.21 H new ATOM 0 HA2 GLY B 7 10.610 -3.266 5.404 1.00 64.04 H new ATOM 0 HA3 GLY B 7 11.249 -4.614 6.323 1.00 64.04 H new ATOM 1413 N ALA B 8 11.810 -5.989 3.905 1.00 64.43 N ATOM 1414 CA ALA B 8 12.654 -6.509 2.803 1.00 44.32 C ATOM 1415 C ALA B 8 12.185 -5.987 1.420 1.00 42.32 C ATOM 1416 O ALA B 8 12.998 -5.541 0.597 1.00 33.21 O ATOM 1417 CB ALA B 8 12.656 -8.047 2.831 1.00 14.35 C ATOM 0 H ALA B 8 11.299 -6.717 4.404 1.00 64.43 H new ATOM 0 HA ALA B 8 13.670 -6.144 2.955 1.00 44.32 H new ATOM 0 HB1 ALA B 8 13.278 -8.425 2.019 1.00 14.35 H new ATOM 0 HB2 ALA B 8 13.055 -8.393 3.785 1.00 14.35 H new ATOM 0 HB3 ALA B 8 11.637 -8.414 2.709 1.00 14.35 H new ATOM 1423 N ASN B 9 10.858 -6.041 1.190 1.00 43.53 N ATOM 1424 CA ASN B 9 10.215 -5.539 -0.048 1.00 65.31 C ATOM 1425 C ASN B 9 10.373 -4.006 -0.197 1.00 64.34 C ATOM 1426 O ASN B 9 10.668 -3.521 -1.290 1.00 72.44 O ATOM 1427 CB ASN B 9 8.707 -5.927 -0.079 1.00 52.04 C ATOM 1428 CG ASN B 9 8.449 -7.429 -0.240 1.00 65.33 C ATOM 1429 OD1 ASN B 9 9.233 -8.270 0.190 1.00 44.32 O ATOM 1430 ND2 ASN B 9 7.344 -7.777 -0.877 1.00 22.41 N ATOM 0 H ASN B 9 10.196 -6.435 1.859 1.00 43.53 H new ATOM 0 HA ASN B 9 10.722 -6.010 -0.890 1.00 65.31 H new ATOM 0 HB2 ASN B 9 8.236 -5.585 0.843 1.00 52.04 H new ATOM 0 HB3 ASN B 9 8.223 -5.397 -0.899 1.00 52.04 H new ATOM 0 HD21 ASN B 9 7.127 -8.763 -1.021 1.00 22.41 H new ATOM 0 HD22 ASN B 9 6.708 -7.059 -1.225 1.00 22.41 H new ATOM 1437 N ALA B 10 10.221 -3.257 0.917 1.00 14.22 N ATOM 1438 CA ALA B 10 10.291 -1.772 0.907 1.00 72.21 C ATOM 1439 C ALA B 10 11.720 -1.272 0.616 1.00 61.42 C ATOM 1440 O ALA B 10 11.905 -0.208 0.020 1.00 42.52 O ATOM 1441 CB ALA B 10 9.796 -1.209 2.243 1.00 20.44 C ATOM 0 H ALA B 10 10.048 -3.655 1.840 1.00 14.22 H new ATOM 0 HA ALA B 10 9.644 -1.415 0.105 1.00 72.21 H new ATOM 0 HB1 ALA B 10 9.852 -0.121 2.222 1.00 20.44 H new ATOM 0 HB2 ALA B 10 8.763 -1.516 2.407 1.00 20.44 H new ATOM 0 HB3 ALA B 10 10.420 -1.589 3.052 1.00 20.44 H new ATOM 1447 N GLY B 11 12.719 -2.063 1.052 1.00 1.52 N ATOM 1448 CA GLY B 11 14.127 -1.791 0.749 1.00 72.35 C ATOM 1449 C GLY B 11 14.439 -1.865 -0.749 1.00 22.30 C ATOM 1450 O GLY B 11 15.212 -1.057 -1.273 1.00 11.21 O ATOM 0 H GLY B 11 12.570 -2.899 1.618 1.00 1.52 H new ATOM 0 HA2 GLY B 11 14.389 -0.800 1.121 1.00 72.35 H new ATOM 0 HA3 GLY B 11 14.753 -2.507 1.281 1.00 72.35 H new ATOM 1454 N LYS B 12 13.806 -2.837 -1.433 1.00 34.23 N ATOM 1455 CA LYS B 12 13.972 -3.060 -2.885 1.00 14.13 C ATOM 1456 C LYS B 12 13.210 -1.987 -3.716 1.00 71.31 C ATOM 1457 O LYS B 12 13.691 -1.548 -4.770 1.00 64.31 O ATOM 1458 CB LYS B 12 13.487 -4.493 -3.255 1.00 64.12 C ATOM 1459 CG LYS B 12 13.949 -4.980 -4.646 1.00 45.43 C ATOM 1460 CD LYS B 12 13.519 -6.433 -4.952 1.00 44.33 C ATOM 1461 CE LYS B 12 14.293 -7.034 -6.139 1.00 40.42 C ATOM 1462 NZ LYS B 12 14.195 -6.194 -7.365 1.00 23.45 N ATOM 0 H LYS B 12 13.161 -3.494 -0.993 1.00 34.23 H new ATOM 0 HA LYS B 12 15.030 -2.967 -3.129 1.00 14.13 H new ATOM 0 HB2 LYS B 12 13.847 -5.192 -2.500 1.00 64.12 H new ATOM 0 HB3 LYS B 12 12.398 -4.516 -3.218 1.00 64.12 H new ATOM 0 HG2 LYS B 12 13.542 -4.318 -5.410 1.00 45.43 H new ATOM 0 HG3 LYS B 12 15.035 -4.908 -4.708 1.00 45.43 H new ATOM 0 HD2 LYS B 12 13.678 -7.050 -4.068 1.00 44.33 H new ATOM 0 HD3 LYS B 12 12.451 -6.455 -5.169 1.00 44.33 H new ATOM 0 HE2 LYS B 12 15.341 -7.150 -5.864 1.00 40.42 H new ATOM 0 HE3 LYS B 12 13.908 -8.031 -6.353 1.00 40.42 H new ATOM 0 HZ1 LYS B 12 14.689 -6.665 -8.149 1.00 23.45 H new ATOM 0 HZ2 LYS B 12 13.194 -6.062 -7.616 1.00 23.45 H new ATOM 0 HZ3 LYS B 12 14.633 -5.268 -7.187 1.00 23.45 H new ATOM 1476 N VAL B 13 12.023 -1.570 -3.221 1.00 63.45 N ATOM 1477 CA VAL B 13 11.203 -0.508 -3.862 1.00 20.03 C ATOM 1478 C VAL B 13 11.898 0.873 -3.772 1.00 42.32 C ATOM 1479 O VAL B 13 11.941 1.626 -4.750 1.00 22.20 O ATOM 1480 CB VAL B 13 9.754 -0.452 -3.239 1.00 31.03 C ATOM 1481 CG1 VAL B 13 8.919 0.721 -3.817 1.00 1.22 C ATOM 1482 CG2 VAL B 13 9.014 -1.800 -3.448 1.00 63.10 C ATOM 0 H VAL B 13 11.606 -1.954 -2.373 1.00 63.45 H new ATOM 0 HA VAL B 13 11.105 -0.762 -4.917 1.00 20.03 H new ATOM 0 HB VAL B 13 9.869 -0.276 -2.169 1.00 31.03 H new ATOM 0 HG11 VAL B 13 7.929 0.722 -3.361 1.00 1.22 H new ATOM 0 HG12 VAL B 13 9.419 1.665 -3.601 1.00 1.22 H new ATOM 0 HG13 VAL B 13 8.821 0.601 -4.896 1.00 1.22 H new ATOM 0 HG21 VAL B 13 8.017 -1.739 -3.011 1.00 63.10 H new ATOM 0 HG22 VAL B 13 8.931 -2.008 -4.515 1.00 63.10 H new ATOM 0 HG23 VAL B 13 9.574 -2.601 -2.965 1.00 63.10 H new ATOM 1492 N TRP B 14 12.469 1.169 -2.592 1.00 61.23 N ATOM 1493 CA TRP B 14 13.218 2.427 -2.350 1.00 3.32 C ATOM 1494 C TRP B 14 14.542 2.438 -3.164 1.00 54.11 C ATOM 1495 O TRP B 14 15.005 3.494 -3.623 1.00 24.23 O ATOM 1496 CB TRP B 14 13.486 2.616 -0.832 1.00 4.43 C ATOM 1497 CG TRP B 14 13.804 4.044 -0.434 1.00 31.23 C ATOM 1498 CD1 TRP B 14 12.911 5.042 -0.145 1.00 41.43 C ATOM 1499 CD2 TRP B 14 15.102 4.621 -0.291 1.00 0.13 C ATOM 1500 NE1 TRP B 14 13.583 6.192 0.180 1.00 21.12 N ATOM 1501 CE2 TRP B 14 14.931 5.959 0.096 1.00 43.21 C ATOM 1502 CE3 TRP B 14 16.385 4.121 -0.450 1.00 42.23 C ATOM 1503 CZ2 TRP B 14 16.009 6.811 0.324 1.00 42.03 C ATOM 1504 CZ3 TRP B 14 17.463 4.959 -0.230 1.00 60.13 C ATOM 1505 CH2 TRP B 14 17.269 6.294 0.160 1.00 44.45 C ATOM 0 H TRP B 14 12.429 0.552 -1.781 1.00 61.23 H new ATOM 0 HA TRP B 14 12.611 3.266 -2.689 1.00 3.32 H new ATOM 0 HB2 TRP B 14 12.611 2.281 -0.275 1.00 4.43 H new ATOM 0 HB3 TRP B 14 14.316 1.974 -0.538 1.00 4.43 H new ATOM 0 HD1 TRP B 14 11.836 4.938 -0.170 1.00 41.43 H new ATOM 0 HE1 TRP B 14 13.150 7.078 0.442 1.00 21.12 H new ATOM 0 HE3 TRP B 14 16.540 3.093 -0.741 1.00 42.23 H new ATOM 0 HZ2 TRP B 14 15.859 7.839 0.619 1.00 42.03 H new ATOM 0 HZ3 TRP B 14 18.467 4.582 -0.360 1.00 60.13 H new ATOM 0 HH2 TRP B 14 18.128 6.925 0.334 1.00 44.45 H new ATOM 1516 N HIS B 15 15.134 1.236 -3.336 1.00 60.05 N ATOM 1517 CA HIS B 15 16.303 1.014 -4.218 1.00 40.31 C ATOM 1518 C HIS B 15 15.970 1.331 -5.700 1.00 63.23 C ATOM 1519 O HIS B 15 16.851 1.707 -6.461 1.00 3.41 O ATOM 1520 CB HIS B 15 16.815 -0.441 -4.065 1.00 15.24 C ATOM 1521 CG HIS B 15 18.062 -0.769 -4.862 1.00 3.33 C ATOM 1522 ND1 HIS B 15 19.339 -0.532 -4.395 1.00 64.13 N ATOM 1523 CD2 HIS B 15 18.222 -1.316 -6.097 1.00 31.52 C ATOM 1524 CE1 HIS B 15 20.219 -0.915 -5.298 1.00 23.13 C ATOM 1525 NE2 HIS B 15 19.569 -1.393 -6.335 1.00 25.20 N ATOM 0 H HIS B 15 14.814 0.389 -2.866 1.00 60.05 H new ATOM 0 HA HIS B 15 17.093 1.700 -3.912 1.00 40.31 H new ATOM 0 HB2 HIS B 15 17.016 -0.630 -3.011 1.00 15.24 H new ATOM 0 HB3 HIS B 15 16.020 -1.123 -4.366 1.00 15.24 H new ATOM 0 HD2 HIS B 15 17.434 -1.631 -6.765 1.00 31.52 H new ATOM 0 HE1 HIS B 15 21.293 -0.847 -5.202 1.00 23.13 H new ATOM 0 HE2 HIS B 15 19.999 -1.763 -7.183 1.00 25.20 H new ATOM 1534 N ALA B 16 14.712 1.116 -6.114 1.00 10.32 N ATOM 1535 CA ALA B 16 14.228 1.523 -7.462 1.00 52.23 C ATOM 1536 C ALA B 16 14.048 3.064 -7.572 1.00 35.14 C ATOM 1537 O ALA B 16 14.301 3.652 -8.629 1.00 51.31 O ATOM 1538 CB ALA B 16 12.916 0.799 -7.802 1.00 13.22 C ATOM 0 H ALA B 16 14.002 0.662 -5.540 1.00 10.32 H new ATOM 0 HA ALA B 16 14.989 1.232 -8.186 1.00 52.23 H new ATOM 0 HB1 ALA B 16 12.576 1.108 -8.790 1.00 13.22 H new ATOM 0 HB2 ALA B 16 13.083 -0.278 -7.796 1.00 13.22 H new ATOM 0 HB3 ALA B 16 12.158 1.053 -7.061 1.00 13.22 H new ATOM 1544 N LEU B 17 13.595 3.695 -6.468 1.00 33.21 N ATOM 1545 CA LEU B 17 13.323 5.154 -6.402 1.00 32.01 C ATOM 1546 C LEU B 17 14.589 6.016 -6.591 1.00 25.01 C ATOM 1547 O LEU B 17 14.563 7.010 -7.332 1.00 34.42 O ATOM 1548 CB LEU B 17 12.655 5.498 -5.050 1.00 41.20 C ATOM 1549 CG LEU B 17 11.229 4.919 -4.838 1.00 70.02 C ATOM 1550 CD1 LEU B 17 10.751 5.168 -3.396 1.00 64.42 C ATOM 1551 CD2 LEU B 17 10.248 5.501 -5.882 1.00 41.44 C ATOM 0 H LEU B 17 13.406 3.208 -5.592 1.00 33.21 H new ATOM 0 HA LEU B 17 12.654 5.389 -7.230 1.00 32.01 H new ATOM 0 HB2 LEU B 17 13.297 5.138 -4.246 1.00 41.20 H new ATOM 0 HB3 LEU B 17 12.605 6.583 -4.956 1.00 41.20 H new ATOM 0 HG LEU B 17 11.261 3.840 -4.986 1.00 70.02 H new ATOM 0 HD11 LEU B 17 9.750 4.755 -3.268 1.00 64.42 H new ATOM 0 HD12 LEU B 17 11.435 4.686 -2.698 1.00 64.42 H new ATOM 0 HD13 LEU B 17 10.729 6.240 -3.200 1.00 64.42 H new ATOM 0 HD21 LEU B 17 9.254 5.085 -5.719 1.00 41.44 H new ATOM 0 HD22 LEU B 17 10.209 6.585 -5.779 1.00 41.44 H new ATOM 0 HD23 LEU B 17 10.589 5.244 -6.885 1.00 41.44 H new ATOM 1563 N ASN B 18 15.696 5.644 -5.913 1.00 24.32 N ATOM 1564 CA ASN B 18 16.969 6.403 -6.011 1.00 62.35 C ATOM 1565 C ASN B 18 17.630 6.244 -7.416 1.00 43.32 C ATOM 1566 O ASN B 18 18.563 6.983 -7.762 1.00 13.40 O ATOM 1567 CB ASN B 18 17.942 6.024 -4.847 1.00 12.10 C ATOM 1568 CG ASN B 18 18.783 4.753 -5.041 1.00 62.11 C ATOM 1569 OD1 ASN B 18 18.274 3.764 -5.727 1.00 1.45 O flip ATOM 1570 ND2 ASN B 18 19.899 4.659 -4.542 1.00 4.15 N flip ATOM 0 H ASN B 18 15.738 4.832 -5.297 1.00 24.32 H new ATOM 0 HA ASN B 18 16.735 7.462 -5.900 1.00 62.35 H new ATOM 0 HB2 ASN B 18 18.621 6.861 -4.685 1.00 12.10 H new ATOM 0 HB3 ASN B 18 17.355 5.909 -3.936 1.00 12.10 H new ATOM 0 HD21 ASN B 18 20.286 5.437 -4.009 1.00 4.15 H new ATOM 0 HD22 ASN B 18 20.440 3.802 -4.660 1.00 4.15 H new ATOM 1577 N GLU B 19 17.130 5.269 -8.215 1.00 63.30 N ATOM 1578 CA GLU B 19 17.517 5.100 -9.635 1.00 32.54 C ATOM 1579 C GLU B 19 16.723 6.089 -10.513 1.00 11.45 C ATOM 1580 O GLU B 19 17.305 6.926 -11.213 1.00 71.32 O ATOM 1581 CB GLU B 19 17.242 3.647 -10.120 1.00 50.13 C ATOM 1582 CG GLU B 19 17.903 2.541 -9.280 1.00 50.42 C ATOM 1583 CD GLU B 19 19.435 2.551 -9.330 1.00 34.42 C ATOM 1584 OE1 GLU B 19 20.004 2.071 -10.333 1.00 5.45 O ATOM 1585 OE2 GLU B 19 20.076 3.036 -8.370 1.00 52.23 O ATOM 0 H GLU B 19 16.450 4.581 -7.893 1.00 63.30 H new ATOM 0 HA GLU B 19 18.585 5.300 -9.722 1.00 32.54 H new ATOM 0 HB2 GLU B 19 16.165 3.481 -10.127 1.00 50.13 H new ATOM 0 HB3 GLU B 19 17.586 3.553 -11.150 1.00 50.13 H new ATOM 0 HG2 GLU B 19 17.583 2.646 -8.243 1.00 50.42 H new ATOM 0 HG3 GLU B 19 17.545 1.572 -9.628 1.00 50.42 H new ATOM 1592 N ALA B 20 15.380 5.991 -10.436 1.00 12.10 N ATOM 1593 CA ALA B 20 14.455 6.832 -11.222 1.00 73.14 C ATOM 1594 C ALA B 20 13.115 7.030 -10.466 1.00 11.34 C ATOM 1595 O ALA B 20 12.298 6.106 -10.368 1.00 40.44 O ATOM 1596 CB ALA B 20 14.220 6.213 -12.615 1.00 31.11 C ATOM 0 H ALA B 20 14.906 5.325 -9.826 1.00 12.10 H new ATOM 0 HA ALA B 20 14.909 7.814 -11.358 1.00 73.14 H new ATOM 0 HB1 ALA B 20 13.536 6.844 -13.183 1.00 31.11 H new ATOM 0 HB2 ALA B 20 15.170 6.138 -13.145 1.00 31.11 H new ATOM 0 HB3 ALA B 20 13.788 5.219 -12.503 1.00 31.11 H new ATOM 1602 N ASP B 21 12.927 8.234 -9.903 1.00 35.34 N ATOM 1603 CA ASP B 21 11.669 8.641 -9.229 1.00 32.43 C ATOM 1604 C ASP B 21 10.641 9.211 -10.242 1.00 4.02 C ATOM 1605 O ASP B 21 10.985 9.495 -11.398 1.00 31.33 O ATOM 1606 CB ASP B 21 11.984 9.675 -8.116 1.00 42.33 C ATOM 1607 CG ASP B 21 12.712 10.931 -8.635 1.00 64.44 C ATOM 1608 OD1 ASP B 21 13.924 10.842 -8.921 1.00 53.32 O ATOM 1609 OD2 ASP B 21 12.081 11.998 -8.771 1.00 42.30 O ATOM 0 H ASP B 21 13.643 8.961 -9.899 1.00 35.34 H new ATOM 0 HA ASP B 21 11.218 7.758 -8.776 1.00 32.43 H new ATOM 0 HB2 ASP B 21 11.053 9.976 -7.636 1.00 42.33 H new ATOM 0 HB3 ASP B 21 12.597 9.199 -7.351 1.00 42.33 H new ATOM 1614 N GLY B 22 9.383 9.392 -9.793 1.00 3.03 N ATOM 1615 CA GLY B 22 8.302 9.870 -10.674 1.00 14.33 C ATOM 1616 C GLY B 22 7.783 8.774 -11.613 1.00 45.32 C ATOM 1617 O GLY B 22 7.942 8.861 -12.837 1.00 14.53 O ATOM 0 H GLY B 22 9.093 9.215 -8.831 1.00 3.03 H new ATOM 0 HA2 GLY B 22 7.478 10.242 -10.065 1.00 14.33 H new ATOM 0 HA3 GLY B 22 8.665 10.710 -11.266 1.00 14.33 H new ATOM 1621 N ILE B 23 7.176 7.730 -11.020 1.00 14.12 N ATOM 1622 CA ILE B 23 6.689 6.539 -11.753 1.00 11.12 C ATOM 1623 C ILE B 23 5.396 5.979 -11.079 1.00 12.02 C ATOM 1624 O ILE B 23 5.134 6.261 -9.906 1.00 2.42 O ATOM 1625 CB ILE B 23 7.836 5.451 -11.822 1.00 0.11 C ATOM 1626 CG1 ILE B 23 7.463 4.271 -12.769 1.00 43.02 C ATOM 1627 CG2 ILE B 23 8.223 4.938 -10.410 1.00 42.41 C ATOM 1628 CD1 ILE B 23 8.578 3.262 -13.000 1.00 71.40 C ATOM 0 H ILE B 23 7.007 7.685 -10.015 1.00 14.12 H new ATOM 0 HA ILE B 23 6.428 6.819 -12.774 1.00 11.12 H new ATOM 0 HB ILE B 23 8.712 5.942 -12.246 1.00 0.11 H new ATOM 0 HG12 ILE B 23 6.600 3.750 -12.354 1.00 43.02 H new ATOM 0 HG13 ILE B 23 7.156 4.679 -13.732 1.00 43.02 H new ATOM 0 HG21 ILE B 23 9.013 4.192 -10.498 1.00 42.41 H new ATOM 0 HG22 ILE B 23 8.577 5.772 -9.804 1.00 42.41 H new ATOM 0 HG23 ILE B 23 7.351 4.488 -9.935 1.00 42.41 H new ATOM 0 HD11 ILE B 23 8.226 2.478 -13.671 1.00 71.40 H new ATOM 0 HD12 ILE B 23 9.436 3.764 -13.447 1.00 71.40 H new ATOM 0 HD13 ILE B 23 8.872 2.820 -12.048 1.00 71.40 H new ATOM 1640 N SER B 24 4.557 5.245 -11.838 1.00 70.33 N ATOM 1641 CA SER B 24 3.340 4.590 -11.288 1.00 45.31 C ATOM 1642 C SER B 24 3.680 3.258 -10.591 1.00 11.30 C ATOM 1643 O SER B 24 4.677 2.624 -10.924 1.00 53.21 O ATOM 1644 CB SER B 24 2.323 4.326 -12.414 1.00 73.44 C ATOM 1645 OG SER B 24 1.862 5.526 -13.007 1.00 60.01 O ATOM 0 H SER B 24 4.696 5.087 -12.836 1.00 70.33 H new ATOM 0 HA SER B 24 2.910 5.267 -10.550 1.00 45.31 H new ATOM 0 HB2 SER B 24 2.783 3.698 -13.177 1.00 73.44 H new ATOM 0 HB3 SER B 24 1.475 3.771 -12.013 1.00 73.44 H new ATOM 0 HG SER B 24 1.221 5.315 -13.717 1.00 60.01 H new ATOM 1651 N ILE B 25 2.800 2.828 -9.663 1.00 33.51 N ATOM 1652 CA ILE B 25 2.973 1.581 -8.877 1.00 12.13 C ATOM 1653 C ILE B 25 3.083 0.284 -9.767 1.00 70.42 C ATOM 1654 O ILE B 25 3.989 -0.512 -9.526 1.00 31.33 O ATOM 1655 CB ILE B 25 1.814 1.398 -7.817 1.00 11.05 C ATOM 1656 CG1 ILE B 25 1.695 2.649 -6.884 1.00 3.45 C ATOM 1657 CG2 ILE B 25 2.005 0.100 -6.990 1.00 74.51 C ATOM 1658 CD1 ILE B 25 0.545 2.596 -5.873 1.00 75.04 C ATOM 0 H ILE B 25 1.945 3.335 -9.434 1.00 33.51 H new ATOM 0 HA ILE B 25 3.925 1.701 -8.360 1.00 12.13 H new ATOM 0 HB ILE B 25 0.878 1.304 -8.368 1.00 11.05 H new ATOM 0 HG12 ILE B 25 2.632 2.768 -6.340 1.00 3.45 H new ATOM 0 HG13 ILE B 25 1.572 3.536 -7.505 1.00 3.45 H new ATOM 0 HG21 ILE B 25 1.192 0.004 -6.271 1.00 74.51 H new ATOM 0 HG22 ILE B 25 2.002 -0.761 -7.658 1.00 74.51 H new ATOM 0 HG23 ILE B 25 2.956 0.144 -6.459 1.00 74.51 H new ATOM 0 HD11 ILE B 25 0.546 3.506 -5.273 1.00 75.04 H new ATOM 0 HD12 ILE B 25 -0.403 2.512 -6.404 1.00 75.04 H new ATOM 0 HD13 ILE B 25 0.673 1.732 -5.221 1.00 75.04 H new ATOM 1670 N PRO B 26 2.180 0.016 -10.796 1.00 33.20 N ATOM 1671 CA PRO B 26 2.290 -1.218 -11.636 1.00 4.14 C ATOM 1672 C PRO B 26 3.560 -1.265 -12.535 1.00 22.24 C ATOM 1673 O PRO B 26 4.012 -2.346 -12.921 1.00 63.10 O ATOM 1674 CB PRO B 26 0.987 -1.202 -12.484 1.00 71.33 C ATOM 1675 CG PRO B 26 0.603 0.245 -12.547 1.00 55.34 C ATOM 1676 CD PRO B 26 0.979 0.820 -11.195 1.00 43.14 C ATOM 0 HA PRO B 26 2.396 -2.107 -11.015 1.00 4.14 H new ATOM 0 HB2 PRO B 26 1.155 -1.612 -13.480 1.00 71.33 H new ATOM 0 HB3 PRO B 26 0.204 -1.802 -12.021 1.00 71.33 H new ATOM 0 HG2 PRO B 26 1.130 0.757 -13.352 1.00 55.34 H new ATOM 0 HG3 PRO B 26 -0.463 0.361 -12.740 1.00 55.34 H new ATOM 0 HD2 PRO B 26 1.211 1.883 -11.261 1.00 43.14 H new ATOM 0 HD3 PRO B 26 0.168 0.715 -10.474 1.00 43.14 H new ATOM 1684 N GLU B 27 4.119 -0.087 -12.849 1.00 22.44 N ATOM 1685 CA GLU B 27 5.372 0.043 -13.634 1.00 60.14 C ATOM 1686 C GLU B 27 6.581 -0.221 -12.723 1.00 12.53 C ATOM 1687 O GLU B 27 7.500 -0.965 -13.059 1.00 52.21 O ATOM 1688 CB GLU B 27 5.460 1.466 -14.231 1.00 10.15 C ATOM 1689 CG GLU B 27 4.320 1.813 -15.205 1.00 21.51 C ATOM 1690 CD GLU B 27 4.469 3.215 -15.821 1.00 55.11 C ATOM 1691 OE1 GLU B 27 5.238 3.369 -16.792 1.00 41.13 O ATOM 1692 OE2 GLU B 27 3.817 4.161 -15.341 1.00 64.21 O ATOM 0 H GLU B 27 3.720 0.809 -12.569 1.00 22.44 H new ATOM 0 HA GLU B 27 5.373 -0.686 -14.445 1.00 60.14 H new ATOM 0 HB2 GLU B 27 5.460 2.190 -13.416 1.00 10.15 H new ATOM 0 HB3 GLU B 27 6.412 1.571 -14.751 1.00 10.15 H new ATOM 0 HG2 GLU B 27 4.292 1.071 -16.003 1.00 21.51 H new ATOM 0 HG3 GLU B 27 3.367 1.751 -14.679 1.00 21.51 H new ATOM 1699 N LEU B 28 6.521 0.416 -11.554 1.00 74.22 N ATOM 1700 CA LEU B 28 7.469 0.254 -10.439 1.00 2.13 C ATOM 1701 C LEU B 28 7.539 -1.220 -9.955 1.00 3.34 C ATOM 1702 O LEU B 28 8.600 -1.702 -9.556 1.00 31.24 O ATOM 1703 CB LEU B 28 6.985 1.192 -9.313 1.00 31.21 C ATOM 1704 CG LEU B 28 7.734 1.162 -7.957 1.00 72.44 C ATOM 1705 CD1 LEU B 28 9.195 1.652 -8.082 1.00 43.31 C ATOM 1706 CD2 LEU B 28 6.934 1.972 -6.916 1.00 1.51 C ATOM 0 H LEU B 28 5.783 1.088 -11.344 1.00 74.22 H new ATOM 0 HA LEU B 28 8.481 0.510 -10.754 1.00 2.13 H new ATOM 0 HB2 LEU B 28 7.024 2.213 -9.692 1.00 31.21 H new ATOM 0 HB3 LEU B 28 5.937 0.964 -9.119 1.00 31.21 H new ATOM 0 HG LEU B 28 7.802 0.128 -7.619 1.00 72.44 H new ATOM 0 HD11 LEU B 28 9.677 1.612 -7.105 1.00 43.31 H new ATOM 0 HD12 LEU B 28 9.735 1.012 -8.780 1.00 43.31 H new ATOM 0 HD13 LEU B 28 9.204 2.678 -8.450 1.00 43.31 H new ATOM 0 HD21 LEU B 28 7.458 1.954 -5.960 1.00 1.51 H new ATOM 0 HD22 LEU B 28 6.835 3.003 -7.255 1.00 1.51 H new ATOM 0 HD23 LEU B 28 5.944 1.533 -6.796 1.00 1.51 H new ATOM 1718 N ALA B 29 6.387 -1.914 -10.015 1.00 65.22 N ATOM 1719 CA ALA B 29 6.273 -3.354 -9.699 1.00 60.22 C ATOM 1720 C ALA B 29 7.157 -4.220 -10.627 1.00 53.01 C ATOM 1721 O ALA B 29 7.786 -5.182 -10.183 1.00 23.43 O ATOM 1722 CB ALA B 29 4.806 -3.786 -9.785 1.00 14.21 C ATOM 0 H ALA B 29 5.500 -1.489 -10.286 1.00 65.22 H new ATOM 0 HA ALA B 29 6.634 -3.508 -8.682 1.00 60.22 H new ATOM 0 HB1 ALA B 29 4.725 -4.848 -9.552 1.00 14.21 H new ATOM 0 HB2 ALA B 29 4.215 -3.212 -9.072 1.00 14.21 H new ATOM 0 HB3 ALA B 29 4.432 -3.607 -10.793 1.00 14.21 H new ATOM 1728 N ARG B 30 7.205 -3.837 -11.911 1.00 20.11 N ATOM 1729 CA ARG B 30 8.066 -4.481 -12.925 1.00 24.30 C ATOM 1730 C ARG B 30 9.556 -4.170 -12.642 1.00 74.45 C ATOM 1731 O ARG B 30 10.415 -5.052 -12.759 1.00 71.23 O ATOM 1732 CB ARG B 30 7.661 -3.983 -14.337 1.00 72.33 C ATOM 1733 CG ARG B 30 6.213 -4.335 -14.750 1.00 35.25 C ATOM 1734 CD ARG B 30 5.792 -3.665 -16.075 1.00 1.10 C ATOM 1735 NE ARG B 30 6.765 -3.896 -17.166 1.00 13.32 N ATOM 1736 CZ ARG B 30 6.640 -4.754 -18.160 1.00 62.10 C ATOM 1737 NH1 ARG B 30 5.610 -5.541 -18.258 1.00 42.12 N ATOM 1738 NH2 ARG B 30 7.581 -4.820 -19.044 1.00 62.53 N ATOM 0 H ARG B 30 6.646 -3.068 -12.282 1.00 20.11 H new ATOM 0 HA ARG B 30 7.932 -5.562 -12.878 1.00 24.30 H new ATOM 0 HB2 ARG B 30 7.783 -2.901 -14.376 1.00 72.33 H new ATOM 0 HB3 ARG B 30 8.348 -4.408 -15.069 1.00 72.33 H new ATOM 0 HG2 ARG B 30 6.121 -5.417 -14.849 1.00 35.25 H new ATOM 0 HG3 ARG B 30 5.529 -4.028 -13.959 1.00 35.25 H new ATOM 0 HD2 ARG B 30 4.817 -4.047 -16.377 1.00 1.10 H new ATOM 0 HD3 ARG B 30 5.679 -2.593 -15.915 1.00 1.10 H new ATOM 0 HE ARG B 30 7.617 -3.336 -17.147 1.00 13.32 H new ATOM 0 HH11 ARG B 30 4.872 -5.505 -17.555 1.00 42.12 H new ATOM 0 HH12 ARG B 30 5.540 -6.195 -19.038 1.00 42.12 H new ATOM 0 HH21 ARG B 30 8.399 -4.216 -18.964 1.00 62.53 H new ATOM 0 HH22 ARG B 30 7.505 -5.476 -19.821 1.00 62.53 H new ATOM 1752 N LYS B 31 9.840 -2.908 -12.242 1.00 61.14 N ATOM 1753 CA LYS B 31 11.211 -2.443 -11.897 1.00 62.24 C ATOM 1754 C LYS B 31 11.791 -3.215 -10.684 1.00 62.24 C ATOM 1755 O LYS B 31 12.999 -3.477 -10.620 1.00 55.04 O ATOM 1756 CB LYS B 31 11.209 -0.916 -11.586 1.00 72.40 C ATOM 1757 CG LYS B 31 10.603 -0.024 -12.698 1.00 65.31 C ATOM 1758 CD LYS B 31 11.351 -0.113 -14.052 1.00 33.44 C ATOM 1759 CE LYS B 31 12.806 0.385 -13.969 1.00 22.13 C ATOM 1760 NZ LYS B 31 13.486 0.326 -15.286 1.00 1.02 N ATOM 0 H LYS B 31 9.129 -2.183 -12.148 1.00 61.14 H new ATOM 0 HA LYS B 31 11.844 -2.639 -12.763 1.00 62.24 H new ATOM 0 HB2 LYS B 31 10.653 -0.749 -10.663 1.00 72.40 H new ATOM 0 HB3 LYS B 31 12.235 -0.596 -11.403 1.00 72.40 H new ATOM 0 HG2 LYS B 31 9.562 -0.307 -12.850 1.00 65.31 H new ATOM 0 HG3 LYS B 31 10.605 1.012 -12.360 1.00 65.31 H new ATOM 0 HD2 LYS B 31 11.346 -1.147 -14.397 1.00 33.44 H new ATOM 0 HD3 LYS B 31 10.814 0.474 -14.797 1.00 33.44 H new ATOM 0 HE2 LYS B 31 12.818 1.410 -13.599 1.00 22.13 H new ATOM 0 HE3 LYS B 31 13.356 -0.220 -13.249 1.00 22.13 H new ATOM 0 HZ1 LYS B 31 14.463 0.669 -15.188 1.00 1.02 H new ATOM 0 HZ2 LYS B 31 13.497 -0.656 -15.627 1.00 1.02 H new ATOM 0 HZ3 LYS B 31 12.976 0.924 -15.967 1.00 1.02 H new ATOM 1774 N VAL B 32 10.916 -3.558 -9.716 1.00 41.12 N ATOM 1775 CA VAL B 32 11.306 -4.323 -8.506 1.00 1.32 C ATOM 1776 C VAL B 32 11.009 -5.837 -8.642 1.00 54.03 C ATOM 1777 O VAL B 32 11.285 -6.603 -7.712 1.00 54.31 O ATOM 1778 CB VAL B 32 10.618 -3.740 -7.215 1.00 14.41 C ATOM 1779 CG1 VAL B 32 10.950 -2.243 -7.053 1.00 72.42 C ATOM 1780 CG2 VAL B 32 9.088 -3.967 -7.212 1.00 11.14 C ATOM 0 H VAL B 32 9.926 -3.316 -9.747 1.00 41.12 H new ATOM 0 HA VAL B 32 12.386 -4.212 -8.405 1.00 1.32 H new ATOM 0 HB VAL B 32 11.022 -4.284 -6.361 1.00 14.41 H new ATOM 0 HG11 VAL B 32 10.466 -1.858 -6.156 1.00 72.42 H new ATOM 0 HG12 VAL B 32 12.029 -2.117 -6.966 1.00 72.42 H new ATOM 0 HG13 VAL B 32 10.590 -1.694 -7.923 1.00 72.42 H new ATOM 0 HG21 VAL B 32 8.660 -3.547 -6.302 1.00 11.14 H new ATOM 0 HG22 VAL B 32 8.646 -3.478 -8.080 1.00 11.14 H new ATOM 0 HG23 VAL B 32 8.879 -5.036 -7.252 1.00 11.14 H new ATOM 1790 N ASN B 33 10.428 -6.242 -9.798 1.00 2.03 N ATOM 1791 CA ASN B 33 10.162 -7.665 -10.167 1.00 12.31 C ATOM 1792 C ASN B 33 9.037 -8.316 -9.286 1.00 43.01 C ATOM 1793 O ASN B 33 8.799 -9.527 -9.352 1.00 50.33 O ATOM 1794 CB ASN B 33 11.495 -8.487 -10.144 1.00 30.35 C ATOM 1795 CG ASN B 33 11.419 -9.839 -10.860 1.00 21.01 C ATOM 1796 OD1 ASN B 33 11.146 -10.873 -10.255 1.00 24.11 O ATOM 1797 ND2 ASN B 33 11.650 -9.841 -12.158 1.00 70.42 N ATOM 0 H ASN B 33 10.124 -5.583 -10.515 1.00 2.03 H new ATOM 0 HA ASN B 33 9.775 -7.681 -11.186 1.00 12.31 H new ATOM 0 HB2 ASN B 33 12.283 -7.890 -10.603 1.00 30.35 H new ATOM 0 HB3 ASN B 33 11.786 -8.655 -9.107 1.00 30.35 H new ATOM 0 HD21 ASN B 33 11.604 -10.714 -12.683 1.00 70.42 H new ATOM 0 HD22 ASN B 33 11.875 -8.969 -12.637 1.00 70.42 H new ATOM 1804 N LEU B 34 8.312 -7.491 -8.503 1.00 52.00 N ATOM 1805 CA LEU B 34 7.230 -7.962 -7.597 1.00 72.44 C ATOM 1806 C LEU B 34 5.831 -7.712 -8.212 1.00 13.33 C ATOM 1807 O LEU B 34 5.702 -7.056 -9.249 1.00 73.34 O ATOM 1808 CB LEU B 34 7.346 -7.237 -6.227 1.00 23.30 C ATOM 1809 CG LEU B 34 8.691 -7.429 -5.454 1.00 33.43 C ATOM 1810 CD1 LEU B 34 8.710 -6.589 -4.157 1.00 21.04 C ATOM 1811 CD2 LEU B 34 8.965 -8.924 -5.165 1.00 33.13 C ATOM 0 H LEU B 34 8.455 -6.481 -8.477 1.00 52.00 H new ATOM 0 HA LEU B 34 7.346 -9.037 -7.455 1.00 72.44 H new ATOM 0 HB2 LEU B 34 7.195 -6.170 -6.391 1.00 23.30 H new ATOM 0 HB3 LEU B 34 6.532 -7.580 -5.588 1.00 23.30 H new ATOM 0 HG LEU B 34 9.497 -7.069 -6.093 1.00 33.43 H new ATOM 0 HD11 LEU B 34 9.657 -6.741 -3.639 1.00 21.04 H new ATOM 0 HD12 LEU B 34 8.598 -5.534 -4.405 1.00 21.04 H new ATOM 0 HD13 LEU B 34 7.889 -6.899 -3.511 1.00 21.04 H new ATOM 0 HD21 LEU B 34 9.907 -9.024 -4.627 1.00 33.13 H new ATOM 0 HD22 LEU B 34 8.156 -9.332 -4.559 1.00 33.13 H new ATOM 0 HD23 LEU B 34 9.025 -9.471 -6.106 1.00 33.13 H new ATOM 1823 N SER B 35 4.781 -8.264 -7.565 1.00 22.30 N ATOM 1824 CA SER B 35 3.366 -7.937 -7.893 1.00 13.43 C ATOM 1825 C SER B 35 3.042 -6.466 -7.556 1.00 10.43 C ATOM 1826 O SER B 35 3.676 -5.875 -6.678 1.00 15.53 O ATOM 1827 CB SER B 35 2.395 -8.868 -7.123 1.00 2.22 C ATOM 1828 OG SER B 35 1.032 -8.493 -7.312 1.00 32.44 O ATOM 0 H SER B 35 4.882 -8.941 -6.809 1.00 22.30 H new ATOM 0 HA SER B 35 3.235 -8.089 -8.964 1.00 13.43 H new ATOM 0 HB2 SER B 35 2.538 -9.896 -7.456 1.00 2.22 H new ATOM 0 HB3 SER B 35 2.634 -8.842 -6.060 1.00 2.22 H new ATOM 0 HG SER B 35 0.452 -9.105 -6.812 1.00 32.44 H new ATOM 1834 N VAL B 36 2.043 -5.894 -8.255 1.00 61.51 N ATOM 1835 CA VAL B 36 1.571 -4.506 -8.014 1.00 4.42 C ATOM 1836 C VAL B 36 1.129 -4.315 -6.541 1.00 32.52 C ATOM 1837 O VAL B 36 1.414 -3.286 -5.921 1.00 43.14 O ATOM 1838 CB VAL B 36 0.387 -4.138 -8.981 1.00 31.20 C ATOM 1839 CG1 VAL B 36 -0.090 -2.672 -8.782 1.00 72.35 C ATOM 1840 CG2 VAL B 36 0.778 -4.401 -10.456 1.00 2.50 C ATOM 0 H VAL B 36 1.539 -6.374 -9.001 1.00 61.51 H new ATOM 0 HA VAL B 36 2.407 -3.836 -8.215 1.00 4.42 H new ATOM 0 HB VAL B 36 -0.453 -4.786 -8.729 1.00 31.20 H new ATOM 0 HG11 VAL B 36 -0.909 -2.459 -9.469 1.00 72.35 H new ATOM 0 HG12 VAL B 36 -0.433 -2.537 -7.756 1.00 72.35 H new ATOM 0 HG13 VAL B 36 0.737 -1.990 -8.981 1.00 72.35 H new ATOM 0 HG21 VAL B 36 -0.057 -4.139 -11.106 1.00 2.50 H new ATOM 0 HG22 VAL B 36 1.645 -3.794 -10.716 1.00 2.50 H new ATOM 0 HG23 VAL B 36 1.021 -5.456 -10.585 1.00 2.50 H new ATOM 1850 N GLU B 37 0.449 -5.345 -6.004 1.00 62.23 N ATOM 1851 CA GLU B 37 0.010 -5.391 -4.590 1.00 41.52 C ATOM 1852 C GLU B 37 1.212 -5.510 -3.616 1.00 2.12 C ATOM 1853 O GLU B 37 1.266 -4.806 -2.606 1.00 63.20 O ATOM 1854 CB GLU B 37 -0.979 -6.565 -4.386 1.00 52.45 C ATOM 1855 CG GLU B 37 -2.235 -6.477 -5.279 1.00 12.52 C ATOM 1856 CD GLU B 37 -3.234 -7.615 -5.042 1.00 74.31 C ATOM 1857 OE1 GLU B 37 -3.881 -7.625 -3.981 1.00 32.13 O ATOM 1858 OE2 GLU B 37 -3.380 -8.505 -5.915 1.00 44.53 O ATOM 0 H GLU B 37 0.186 -6.173 -6.538 1.00 62.23 H new ATOM 0 HA GLU B 37 -0.495 -4.452 -4.362 1.00 41.52 H new ATOM 0 HB2 GLU B 37 -0.463 -7.503 -4.590 1.00 52.45 H new ATOM 0 HB3 GLU B 37 -1.288 -6.592 -3.341 1.00 52.45 H new ATOM 0 HG2 GLU B 37 -2.733 -5.524 -5.100 1.00 12.52 H new ATOM 0 HG3 GLU B 37 -1.929 -6.485 -6.325 1.00 12.52 H new ATOM 1865 N SER B 38 2.183 -6.386 -3.952 1.00 53.13 N ATOM 1866 CA SER B 38 3.432 -6.576 -3.156 1.00 4.12 C ATOM 1867 C SER B 38 4.266 -5.276 -3.077 1.00 14.02 C ATOM 1868 O SER B 38 4.947 -5.015 -2.078 1.00 74.41 O ATOM 1869 CB SER B 38 4.301 -7.702 -3.771 1.00 21.11 C ATOM 1870 OG SER B 38 3.599 -8.933 -3.828 1.00 10.33 O ATOM 0 H SER B 38 2.131 -6.983 -4.778 1.00 53.13 H new ATOM 0 HA SER B 38 3.129 -6.853 -2.146 1.00 4.12 H new ATOM 0 HB2 SER B 38 4.613 -7.414 -4.775 1.00 21.11 H new ATOM 0 HB3 SER B 38 5.208 -7.827 -3.179 1.00 21.11 H new ATOM 0 HG SER B 38 4.175 -9.620 -4.222 1.00 10.33 H new ATOM 1876 N THR B 39 4.189 -4.480 -4.155 1.00 11.23 N ATOM 1877 CA THR B 39 4.922 -3.207 -4.297 1.00 11.14 C ATOM 1878 C THR B 39 4.207 -2.055 -3.552 1.00 13.42 C ATOM 1879 O THR B 39 4.847 -1.337 -2.809 1.00 3.34 O ATOM 1880 CB THR B 39 5.111 -2.839 -5.805 1.00 1.13 C ATOM 1881 OG1 THR B 39 5.792 -3.916 -6.467 1.00 45.15 O ATOM 1882 CG2 THR B 39 5.917 -1.544 -6.011 1.00 35.35 C ATOM 0 H THR B 39 3.609 -4.703 -4.964 1.00 11.23 H new ATOM 0 HA THR B 39 5.904 -3.345 -3.844 1.00 11.14 H new ATOM 0 HB THR B 39 4.118 -2.676 -6.223 1.00 1.13 H new ATOM 0 HG1 THR B 39 5.171 -4.663 -6.600 1.00 45.15 H new ATOM 0 HG21 THR B 39 6.014 -1.342 -7.078 1.00 35.35 H new ATOM 0 HG22 THR B 39 5.400 -0.713 -5.530 1.00 35.35 H new ATOM 0 HG23 THR B 39 6.908 -1.658 -5.572 1.00 35.35 H new ATOM 1890 N ALA B 40 2.877 -1.910 -3.747 1.00 75.31 N ATOM 1891 CA ALA B 40 2.064 -0.812 -3.133 1.00 10.41 C ATOM 1892 C ALA B 40 2.025 -0.900 -1.583 1.00 62.52 C ATOM 1893 O ALA B 40 2.092 0.115 -0.882 1.00 4.13 O ATOM 1894 CB ALA B 40 0.635 -0.850 -3.692 1.00 2.20 C ATOM 0 H ALA B 40 2.330 -2.543 -4.330 1.00 75.31 H new ATOM 0 HA ALA B 40 2.543 0.132 -3.393 1.00 10.41 H new ATOM 0 HB1 ALA B 40 0.047 -0.050 -3.243 1.00 2.20 H new ATOM 0 HB2 ALA B 40 0.664 -0.716 -4.773 1.00 2.20 H new ATOM 0 HB3 ALA B 40 0.178 -1.811 -3.457 1.00 2.20 H new ATOM 1900 N LEU B 41 1.906 -2.137 -1.090 1.00 51.33 N ATOM 1901 CA LEU B 41 1.957 -2.482 0.349 1.00 3.34 C ATOM 1902 C LEU B 41 3.370 -2.152 0.939 1.00 34.22 C ATOM 1903 O LEU B 41 3.490 -1.710 2.090 1.00 2.10 O ATOM 1904 CB LEU B 41 1.518 -3.993 0.464 1.00 11.01 C ATOM 1905 CG LEU B 41 1.649 -4.789 1.816 1.00 50.41 C ATOM 1906 CD1 LEU B 41 3.053 -5.402 1.971 1.00 3.15 C ATOM 1907 CD2 LEU B 41 1.237 -3.945 3.048 1.00 60.41 C ATOM 0 H LEU B 41 1.768 -2.951 -1.689 1.00 51.33 H new ATOM 0 HA LEU B 41 1.274 -1.886 0.954 1.00 3.34 H new ATOM 0 HB2 LEU B 41 0.470 -4.041 0.169 1.00 11.01 H new ATOM 0 HB3 LEU B 41 2.086 -4.545 -0.285 1.00 11.01 H new ATOM 0 HG LEU B 41 0.938 -5.614 1.769 1.00 50.41 H new ATOM 0 HD11 LEU B 41 3.111 -5.945 2.914 1.00 3.15 H new ATOM 0 HD12 LEU B 41 3.244 -6.088 1.145 1.00 3.15 H new ATOM 0 HD13 LEU B 41 3.800 -4.608 1.963 1.00 3.15 H new ATOM 0 HD21 LEU B 41 1.347 -4.544 3.952 1.00 60.41 H new ATOM 0 HD22 LEU B 41 1.876 -3.064 3.116 1.00 60.41 H new ATOM 0 HD23 LEU B 41 0.198 -3.632 2.944 1.00 60.41 H new ATOM 1919 N ALA B 42 4.421 -2.339 0.119 1.00 60.12 N ATOM 1920 CA ALA B 42 5.818 -1.980 0.477 1.00 21.25 C ATOM 1921 C ALA B 42 6.062 -0.443 0.417 1.00 10.34 C ATOM 1922 O ALA B 42 6.847 0.100 1.200 1.00 10.32 O ATOM 1923 CB ALA B 42 6.789 -2.728 -0.441 1.00 1.14 C ATOM 0 H ALA B 42 4.332 -2.743 -0.813 1.00 60.12 H new ATOM 0 HA ALA B 42 5.993 -2.282 1.510 1.00 21.25 H new ATOM 0 HB1 ALA B 42 7.814 -2.465 -0.179 1.00 1.14 H new ATOM 0 HB2 ALA B 42 6.648 -3.802 -0.321 1.00 1.14 H new ATOM 0 HB3 ALA B 42 6.597 -2.450 -1.477 1.00 1.14 H new ATOM 1929 N VAL B 43 5.377 0.244 -0.525 1.00 24.32 N ATOM 1930 CA VAL B 43 5.369 1.726 -0.624 1.00 24.34 C ATOM 1931 C VAL B 43 4.749 2.346 0.647 1.00 13.22 C ATOM 1932 O VAL B 43 5.208 3.383 1.124 1.00 30.14 O ATOM 1933 CB VAL B 43 4.576 2.209 -1.905 1.00 24.22 C ATOM 1934 CG1 VAL B 43 4.331 3.744 -1.919 1.00 31.41 C ATOM 1935 CG2 VAL B 43 5.291 1.763 -3.204 1.00 71.10 C ATOM 0 H VAL B 43 4.812 -0.213 -1.241 1.00 24.32 H new ATOM 0 HA VAL B 43 6.402 2.061 -0.716 1.00 24.34 H new ATOM 0 HB VAL B 43 3.598 1.730 -1.859 1.00 24.22 H new ATOM 0 HG11 VAL B 43 3.783 4.017 -2.821 1.00 31.41 H new ATOM 0 HG12 VAL B 43 3.750 4.028 -1.042 1.00 31.41 H new ATOM 0 HG13 VAL B 43 5.288 4.265 -1.904 1.00 31.41 H new ATOM 0 HG21 VAL B 43 4.724 2.109 -4.068 1.00 71.10 H new ATOM 0 HG22 VAL B 43 6.293 2.191 -3.233 1.00 71.10 H new ATOM 0 HG23 VAL B 43 5.360 0.675 -3.226 1.00 71.10 H new ATOM 1945 N GLY B 44 3.708 1.682 1.181 1.00 62.44 N ATOM 1946 CA GLY B 44 3.080 2.079 2.446 1.00 4.43 C ATOM 1947 C GLY B 44 4.014 1.958 3.663 1.00 70.13 C ATOM 1948 O GLY B 44 3.886 2.725 4.626 1.00 34.34 O ATOM 0 H GLY B 44 3.284 0.861 0.748 1.00 62.44 H new ATOM 0 HA2 GLY B 44 2.737 3.110 2.363 1.00 4.43 H new ATOM 0 HA3 GLY B 44 2.197 1.462 2.613 1.00 4.43 H new ATOM 1952 N TRP B 45 4.958 0.994 3.615 1.00 32.13 N ATOM 1953 CA TRP B 45 5.986 0.821 4.673 1.00 62.14 C ATOM 1954 C TRP B 45 7.076 1.931 4.590 1.00 65.31 C ATOM 1955 O TRP B 45 7.665 2.320 5.608 1.00 42.41 O ATOM 1956 CB TRP B 45 6.626 -0.588 4.586 1.00 63.23 C ATOM 1957 CG TRP B 45 7.509 -0.924 5.773 1.00 4.12 C ATOM 1958 CD1 TRP B 45 8.879 -0.936 5.821 1.00 12.11 C ATOM 1959 CD2 TRP B 45 7.064 -1.266 7.097 1.00 14.11 C ATOM 1960 NE1 TRP B 45 9.303 -1.276 7.079 1.00 74.14 N ATOM 1961 CE2 TRP B 45 8.210 -1.490 7.877 1.00 2.33 C ATOM 1962 CE3 TRP B 45 5.800 -1.418 7.690 1.00 12.25 C ATOM 1963 CZ2 TRP B 45 8.137 -1.849 9.222 1.00 52.31 C ATOM 1964 CZ3 TRP B 45 5.729 -1.773 9.025 1.00 23.43 C ATOM 1965 CH2 TRP B 45 6.893 -1.990 9.777 1.00 43.33 C ATOM 0 H TRP B 45 5.032 0.320 2.853 1.00 32.13 H new ATOM 0 HA TRP B 45 5.491 0.915 5.640 1.00 62.14 H new ATOM 0 HB2 TRP B 45 5.835 -1.334 4.509 1.00 63.23 H new ATOM 0 HB3 TRP B 45 7.217 -0.654 3.673 1.00 63.23 H new ATOM 0 HD1 TRP B 45 9.529 -0.710 4.989 1.00 12.11 H new ATOM 0 HE1 TRP B 45 10.276 -1.357 7.374 1.00 74.14 H new ATOM 0 HE3 TRP B 45 4.900 -1.261 7.114 1.00 12.25 H new ATOM 0 HZ2 TRP B 45 9.031 -2.010 9.806 1.00 52.31 H new ATOM 0 HZ3 TRP B 45 4.763 -1.885 9.495 1.00 23.43 H new ATOM 0 HH2 TRP B 45 6.806 -2.274 10.815 1.00 43.33 H new ATOM 1976 N LEU B 46 7.354 2.418 3.369 1.00 54.32 N ATOM 1977 CA LEU B 46 8.209 3.611 3.155 1.00 5.44 C ATOM 1978 C LEU B 46 7.469 4.902 3.583 1.00 31.11 C ATOM 1979 O LEU B 46 8.071 5.820 4.139 1.00 1.53 O ATOM 1980 CB LEU B 46 8.656 3.692 1.672 1.00 42.14 C ATOM 1981 CG LEU B 46 9.562 2.525 1.173 1.00 61.02 C ATOM 1982 CD1 LEU B 46 9.851 2.637 -0.341 1.00 34.23 C ATOM 1983 CD2 LEU B 46 10.868 2.459 2.002 1.00 50.24 C ATOM 0 H LEU B 46 6.999 2.005 2.507 1.00 54.32 H new ATOM 0 HA LEU B 46 9.099 3.516 3.777 1.00 5.44 H new ATOM 0 HB2 LEU B 46 7.765 3.729 1.045 1.00 42.14 H new ATOM 0 HB3 LEU B 46 9.190 4.631 1.524 1.00 42.14 H new ATOM 0 HG LEU B 46 9.022 1.590 1.322 1.00 61.02 H new ATOM 0 HD11 LEU B 46 10.485 1.807 -0.653 1.00 34.23 H new ATOM 0 HD12 LEU B 46 8.912 2.604 -0.894 1.00 34.23 H new ATOM 0 HD13 LEU B 46 10.360 3.579 -0.546 1.00 34.23 H new ATOM 0 HD21 LEU B 46 11.488 1.639 1.640 1.00 50.24 H new ATOM 0 HD22 LEU B 46 11.412 3.398 1.899 1.00 50.24 H new ATOM 0 HD23 LEU B 46 10.625 2.294 3.052 1.00 50.24 H new ATOM 1995 N ALA B 47 6.154 4.950 3.301 1.00 74.42 N ATOM 1996 CA ALA B 47 5.251 6.046 3.730 1.00 31.21 C ATOM 1997 C ALA B 47 5.117 6.119 5.269 1.00 73.44 C ATOM 1998 O ALA B 47 4.867 7.192 5.821 1.00 45.35 O ATOM 1999 CB ALA B 47 3.874 5.881 3.067 1.00 24.24 C ATOM 0 H ALA B 47 5.679 4.224 2.764 1.00 74.42 H new ATOM 0 HA ALA B 47 5.692 6.989 3.406 1.00 31.21 H new ATOM 0 HB1 ALA B 47 3.217 6.690 3.387 1.00 24.24 H new ATOM 0 HB2 ALA B 47 3.986 5.912 1.983 1.00 24.24 H new ATOM 0 HB3 ALA B 47 3.441 4.924 3.360 1.00 24.24 H new ATOM 2005 N ARG B 48 5.268 4.966 5.944 1.00 52.42 N ATOM 2006 CA ARG B 48 5.420 4.890 7.418 1.00 40.22 C ATOM 2007 C ARG B 48 6.573 5.808 7.902 1.00 31.44 C ATOM 2008 O ARG B 48 6.404 6.620 8.819 1.00 64.24 O ATOM 2009 CB ARG B 48 5.705 3.413 7.830 1.00 14.04 C ATOM 2010 CG ARG B 48 6.253 3.214 9.267 1.00 24.42 C ATOM 2011 CD ARG B 48 6.723 1.777 9.545 1.00 44.45 C ATOM 2012 NE ARG B 48 7.387 1.653 10.862 1.00 75.13 N ATOM 2013 CZ ARG B 48 8.644 1.298 11.065 1.00 50.43 C ATOM 2014 NH1 ARG B 48 9.432 1.027 10.069 1.00 11.24 N ATOM 2015 NH2 ARG B 48 9.107 1.228 12.267 1.00 62.00 N ATOM 0 H ARG B 48 5.289 4.055 5.486 1.00 52.42 H new ATOM 0 HA ARG B 48 4.496 5.231 7.886 1.00 40.22 H new ATOM 0 HB2 ARG B 48 4.782 2.842 7.730 1.00 14.04 H new ATOM 0 HB3 ARG B 48 6.420 2.989 7.125 1.00 14.04 H new ATOM 0 HG2 ARG B 48 7.085 3.899 9.429 1.00 24.42 H new ATOM 0 HG3 ARG B 48 5.477 3.480 9.984 1.00 24.42 H new ATOM 0 HD2 ARG B 48 5.868 1.102 9.506 1.00 44.45 H new ATOM 0 HD3 ARG B 48 7.412 1.464 8.761 1.00 44.45 H new ATOM 0 HE ARG B 48 6.824 1.860 11.687 1.00 75.13 H new ATOM 0 HH11 ARG B 48 9.084 1.087 9.112 1.00 11.24 H new ATOM 0 HH12 ARG B 48 10.399 0.755 10.243 1.00 11.24 H new ATOM 0 HH21 ARG B 48 8.503 1.446 13.060 1.00 62.00 H new ATOM 0 HH22 ARG B 48 10.077 0.954 12.425 1.00 62.00 H new ATOM 2029 N GLU B 49 7.729 5.671 7.240 1.00 21.15 N ATOM 2030 CA GLU B 49 8.976 6.381 7.601 1.00 13.32 C ATOM 2031 C GLU B 49 9.169 7.695 6.804 1.00 33.45 C ATOM 2032 O GLU B 49 10.219 8.337 6.918 1.00 24.15 O ATOM 2033 CB GLU B 49 10.173 5.410 7.389 1.00 55.41 C ATOM 2034 CG GLU B 49 10.087 4.080 8.192 1.00 62.32 C ATOM 2035 CD GLU B 49 10.165 4.267 9.727 1.00 65.24 C ATOM 2036 OE1 GLU B 49 9.144 4.639 10.359 1.00 23.43 O ATOM 2037 OE2 GLU B 49 11.249 4.068 10.307 1.00 14.31 O ATOM 0 H GLU B 49 7.832 5.060 6.430 1.00 21.15 H new ATOM 0 HA GLU B 49 8.916 6.680 8.647 1.00 13.32 H new ATOM 0 HB2 GLU B 49 10.246 5.173 6.328 1.00 55.41 H new ATOM 0 HB3 GLU B 49 11.093 5.925 7.665 1.00 55.41 H new ATOM 0 HG2 GLU B 49 9.152 3.577 7.944 1.00 62.32 H new ATOM 0 HG3 GLU B 49 10.896 3.422 7.874 1.00 62.32 H new ATOM 2044 N ASN B 50 8.139 8.076 6.004 1.00 64.51 N ATOM 2045 CA ASN B 50 8.109 9.338 5.196 1.00 40.11 C ATOM 2046 C ASN B 50 9.229 9.404 4.118 1.00 4.41 C ATOM 2047 O ASN B 50 9.581 10.486 3.647 1.00 5.01 O ATOM 2048 CB ASN B 50 8.163 10.592 6.123 1.00 75.11 C ATOM 2049 CG ASN B 50 6.942 10.752 7.030 1.00 44.03 C ATOM 2050 OD1 ASN B 50 6.291 9.781 7.413 1.00 53.34 O ATOM 2051 ND2 ASN B 50 6.621 11.983 7.387 1.00 23.34 N ATOM 0 H ASN B 50 7.294 7.514 5.896 1.00 64.51 H new ATOM 0 HA ASN B 50 7.161 9.333 4.657 1.00 40.11 H new ATOM 0 HB2 ASN B 50 9.058 10.534 6.743 1.00 75.11 H new ATOM 0 HB3 ASN B 50 8.262 11.484 5.504 1.00 75.11 H new ATOM 0 HD21 ASN B 50 5.817 12.145 7.994 1.00 23.34 H new ATOM 0 HD22 ASN B 50 7.177 12.771 7.056 1.00 23.34 H new ATOM 2058 N LYS B 51 9.731 8.230 3.698 1.00 2.51 N ATOM 2059 CA LYS B 51 10.840 8.112 2.721 1.00 72.44 C ATOM 2060 C LYS B 51 10.377 8.281 1.247 1.00 1.32 C ATOM 2061 O LYS B 51 11.199 8.205 0.325 1.00 53.30 O ATOM 2062 CB LYS B 51 11.546 6.747 2.912 1.00 21.22 C ATOM 2063 CG LYS B 51 12.115 6.526 4.331 1.00 44.40 C ATOM 2064 CD LYS B 51 12.842 5.173 4.493 1.00 4.24 C ATOM 2065 CE LYS B 51 14.121 5.076 3.641 1.00 12.34 C ATOM 2066 NZ LYS B 51 14.850 3.805 3.866 1.00 44.14 N ATOM 0 H LYS B 51 9.381 7.329 4.025 1.00 2.51 H new ATOM 0 HA LYS B 51 11.535 8.929 2.917 1.00 72.44 H new ATOM 0 HB2 LYS B 51 10.838 5.949 2.687 1.00 21.22 H new ATOM 0 HB3 LYS B 51 12.358 6.665 2.189 1.00 21.22 H new ATOM 0 HG2 LYS B 51 12.808 7.334 4.567 1.00 44.40 H new ATOM 0 HG3 LYS B 51 11.301 6.582 5.054 1.00 44.40 H new ATOM 0 HD2 LYS B 51 13.098 5.027 5.542 1.00 4.24 H new ATOM 0 HD3 LYS B 51 12.164 4.366 4.215 1.00 4.24 H new ATOM 0 HE2 LYS B 51 13.860 5.161 2.586 1.00 12.34 H new ATOM 0 HE3 LYS B 51 14.776 5.915 3.876 1.00 12.34 H new ATOM 0 HZ1 LYS B 51 15.703 3.784 3.272 1.00 44.14 H new ATOM 0 HZ2 LYS B 51 15.123 3.734 4.867 1.00 44.14 H new ATOM 0 HZ3 LYS B 51 14.236 3.004 3.617 1.00 44.14 H new ATOM 2080 N VAL B 52 9.062 8.494 1.033 1.00 72.51 N ATOM 2081 CA VAL B 52 8.471 8.711 -0.313 1.00 63.34 C ATOM 2082 C VAL B 52 7.643 10.019 -0.372 1.00 55.01 C ATOM 2083 O VAL B 52 7.043 10.435 0.624 1.00 31.40 O ATOM 2084 CB VAL B 52 7.557 7.499 -0.749 1.00 10.43 C ATOM 2085 CG1 VAL B 52 8.385 6.209 -0.915 1.00 1.41 C ATOM 2086 CG2 VAL B 52 6.390 7.278 0.248 1.00 21.54 C ATOM 0 H VAL B 52 8.375 8.521 1.787 1.00 72.51 H new ATOM 0 HA VAL B 52 9.309 8.792 -1.006 1.00 63.34 H new ATOM 0 HB VAL B 52 7.124 7.752 -1.717 1.00 10.43 H new ATOM 0 HG11 VAL B 52 7.729 5.392 -1.215 1.00 1.41 H new ATOM 0 HG12 VAL B 52 9.148 6.362 -1.679 1.00 1.41 H new ATOM 0 HG13 VAL B 52 8.864 5.960 0.032 1.00 1.41 H new ATOM 0 HG21 VAL B 52 5.782 6.436 -0.084 1.00 21.54 H new ATOM 0 HG22 VAL B 52 6.793 7.066 1.238 1.00 21.54 H new ATOM 0 HG23 VAL B 52 5.773 8.176 0.291 1.00 21.54 H new ATOM 2096 N VAL B 53 7.630 10.658 -1.556 1.00 30.40 N ATOM 2097 CA VAL B 53 6.764 11.825 -1.848 1.00 71.13 C ATOM 2098 C VAL B 53 5.619 11.380 -2.793 1.00 53.15 C ATOM 2099 O VAL B 53 5.883 10.913 -3.906 1.00 34.00 O ATOM 2100 CB VAL B 53 7.587 12.996 -2.506 1.00 10.23 C ATOM 2101 CG1 VAL B 53 6.728 14.275 -2.700 1.00 61.22 C ATOM 2102 CG2 VAL B 53 8.879 13.297 -1.704 1.00 31.51 C ATOM 0 H VAL B 53 8.219 10.382 -2.342 1.00 30.40 H new ATOM 0 HA VAL B 53 6.349 12.198 -0.912 1.00 71.13 H new ATOM 0 HB VAL B 53 7.884 12.659 -3.499 1.00 10.23 H new ATOM 0 HG11 VAL B 53 7.336 15.056 -3.156 1.00 61.22 H new ATOM 0 HG12 VAL B 53 5.881 14.050 -3.348 1.00 61.22 H new ATOM 0 HG13 VAL B 53 6.363 14.619 -1.732 1.00 61.22 H new ATOM 0 HG21 VAL B 53 9.424 14.110 -2.184 1.00 31.51 H new ATOM 0 HG22 VAL B 53 8.616 13.587 -0.687 1.00 31.51 H new ATOM 0 HG23 VAL B 53 9.506 12.406 -1.677 1.00 31.51 H new ATOM 2112 N ILE B 54 4.353 11.507 -2.345 1.00 4.33 N ATOM 2113 CA ILE B 54 3.171 11.013 -3.099 1.00 43.30 C ATOM 2114 C ILE B 54 2.275 12.188 -3.576 1.00 33.11 C ATOM 2115 O ILE B 54 1.925 13.065 -2.784 1.00 0.31 O ATOM 2116 CB ILE B 54 2.308 10.031 -2.210 1.00 5.14 C ATOM 2117 CG1 ILE B 54 3.166 8.826 -1.695 1.00 42.23 C ATOM 2118 CG2 ILE B 54 1.048 9.529 -2.967 1.00 64.10 C ATOM 2119 CD1 ILE B 54 3.717 7.912 -2.778 1.00 32.33 C ATOM 0 H ILE B 54 4.117 11.951 -1.457 1.00 4.33 H new ATOM 0 HA ILE B 54 3.546 10.478 -3.971 1.00 43.30 H new ATOM 0 HB ILE B 54 1.968 10.598 -1.343 1.00 5.14 H new ATOM 0 HG12 ILE B 54 4.001 9.218 -1.114 1.00 42.23 H new ATOM 0 HG13 ILE B 54 2.556 8.231 -1.016 1.00 42.23 H new ATOM 0 HG21 ILE B 54 0.481 8.857 -2.323 1.00 64.10 H new ATOM 0 HG22 ILE B 54 0.425 10.380 -3.241 1.00 64.10 H new ATOM 0 HG23 ILE B 54 1.353 8.997 -3.868 1.00 64.10 H new ATOM 0 HD11 ILE B 54 4.296 7.111 -2.318 1.00 32.33 H new ATOM 0 HD12 ILE B 54 2.892 7.483 -3.347 1.00 32.33 H new ATOM 0 HD13 ILE B 54 4.359 8.486 -3.446 1.00 32.33 H new ATOM 2131 N GLU B 55 1.905 12.183 -4.874 1.00 50.32 N ATOM 2132 CA GLU B 55 0.925 13.140 -5.455 1.00 15.21 C ATOM 2133 C GLU B 55 -0.110 12.406 -6.344 1.00 12.22 C ATOM 2134 O GLU B 55 0.245 11.558 -7.162 1.00 54.32 O ATOM 2135 CB GLU B 55 1.647 14.278 -6.240 1.00 74.34 C ATOM 2136 CG GLU B 55 2.784 13.823 -7.172 1.00 24.04 C ATOM 2137 CD GLU B 55 3.594 14.994 -7.777 1.00 1.24 C ATOM 2138 OE1 GLU B 55 4.306 15.690 -7.019 1.00 12.51 O ATOM 2139 OE2 GLU B 55 3.562 15.203 -9.010 1.00 15.24 O ATOM 0 H GLU B 55 2.274 11.517 -5.553 1.00 50.32 H new ATOM 0 HA GLU B 55 0.381 13.604 -4.632 1.00 15.21 H new ATOM 0 HB2 GLU B 55 0.906 14.812 -6.834 1.00 74.34 H new ATOM 0 HB3 GLU B 55 2.053 14.990 -5.521 1.00 74.34 H new ATOM 0 HG2 GLU B 55 3.460 13.173 -6.616 1.00 24.04 H new ATOM 0 HG3 GLU B 55 2.363 13.227 -7.982 1.00 24.04 H new ATOM 2146 N ARG B 56 -1.403 12.723 -6.145 1.00 12.24 N ATOM 2147 CA ARG B 56 -2.511 12.128 -6.919 1.00 52.13 C ATOM 2148 C ARG B 56 -2.783 12.936 -8.204 1.00 35.25 C ATOM 2149 O ARG B 56 -3.362 14.030 -8.166 1.00 10.54 O ATOM 2150 CB ARG B 56 -3.786 12.030 -6.046 1.00 12.03 C ATOM 2151 CG ARG B 56 -3.625 11.098 -4.830 1.00 35.51 C ATOM 2152 CD ARG B 56 -4.930 10.925 -4.042 1.00 32.44 C ATOM 2153 NE ARG B 56 -4.767 9.939 -2.964 1.00 35.22 N ATOM 2154 CZ ARG B 56 -5.504 8.868 -2.792 1.00 3.52 C ATOM 2155 NH1 ARG B 56 -6.460 8.585 -3.619 1.00 5.11 N ATOM 2156 NH2 ARG B 56 -5.258 8.064 -1.813 1.00 23.00 N ATOM 0 H ARG B 56 -1.710 13.398 -5.444 1.00 12.24 H new ATOM 0 HA ARG B 56 -2.220 11.120 -7.216 1.00 52.13 H new ATOM 0 HB2 ARG B 56 -4.056 13.027 -5.697 1.00 12.03 H new ATOM 0 HB3 ARG B 56 -4.612 11.673 -6.661 1.00 12.03 H new ATOM 0 HG2 ARG B 56 -3.277 10.122 -5.169 1.00 35.51 H new ATOM 0 HG3 ARG B 56 -2.856 11.499 -4.169 1.00 35.51 H new ATOM 0 HD2 ARG B 56 -5.234 11.883 -3.621 1.00 32.44 H new ATOM 0 HD3 ARG B 56 -5.726 10.605 -4.715 1.00 32.44 H new ATOM 0 HE ARG B 56 -4.017 10.102 -2.292 1.00 35.22 H new ATOM 0 HH11 ARG B 56 -6.645 9.198 -4.413 1.00 5.11 H new ATOM 0 HH12 ARG B 56 -7.027 7.749 -3.476 1.00 5.11 H new ATOM 0 HH21 ARG B 56 -4.490 8.261 -1.172 1.00 23.00 H new ATOM 0 HH22 ARG B 56 -5.832 7.231 -1.680 1.00 23.00 H new ATOM 2170 N LYS B 57 -2.332 12.384 -9.331 1.00 70.14 N ATOM 2171 CA LYS B 57 -2.449 12.999 -10.660 1.00 64.40 C ATOM 2172 C LYS B 57 -3.458 12.206 -11.523 1.00 32.32 C ATOM 2173 O LYS B 57 -3.208 11.042 -11.862 1.00 75.22 O ATOM 2174 CB LYS B 57 -1.044 13.023 -11.307 1.00 32.44 C ATOM 2175 CG LYS B 57 -0.025 13.893 -10.541 1.00 12.42 C ATOM 2176 CD LYS B 57 1.425 13.674 -11.010 1.00 11.53 C ATOM 2177 CE LYS B 57 1.656 14.009 -12.495 1.00 40.23 C ATOM 2178 NZ LYS B 57 3.069 13.782 -12.888 1.00 15.11 N ATOM 0 H LYS B 57 -1.865 11.478 -9.349 1.00 70.14 H new ATOM 0 HA LYS B 57 -2.823 14.020 -10.580 1.00 64.40 H new ATOM 0 HB2 LYS B 57 -0.664 12.003 -11.369 1.00 32.44 H new ATOM 0 HB3 LYS B 57 -1.130 13.394 -12.328 1.00 32.44 H new ATOM 0 HG2 LYS B 57 -0.287 14.944 -10.665 1.00 12.42 H new ATOM 0 HG3 LYS B 57 -0.094 13.671 -9.476 1.00 12.42 H new ATOM 0 HD2 LYS B 57 2.090 14.287 -10.401 1.00 11.53 H new ATOM 0 HD3 LYS B 57 1.700 12.634 -10.835 1.00 11.53 H new ATOM 0 HE2 LYS B 57 1.002 13.395 -13.114 1.00 40.23 H new ATOM 0 HE3 LYS B 57 1.388 15.049 -12.681 1.00 40.23 H new ATOM 0 HZ1 LYS B 57 3.177 13.952 -13.908 1.00 15.11 H new ATOM 0 HZ2 LYS B 57 3.685 14.434 -12.362 1.00 15.11 H new ATOM 0 HZ3 LYS B 57 3.337 12.801 -12.670 1.00 15.11 H new ATOM 2192 N ASN B 58 -4.607 12.854 -11.829 1.00 2.42 N ATOM 2193 CA ASN B 58 -5.713 12.288 -12.657 1.00 2.42 C ATOM 2194 C ASN B 58 -6.351 11.017 -12.014 1.00 74.52 C ATOM 2195 O ASN B 58 -6.880 10.149 -12.717 1.00 74.55 O ATOM 2196 CB ASN B 58 -5.211 11.988 -14.103 1.00 3.32 C ATOM 2197 CG ASN B 58 -4.553 13.191 -14.792 1.00 64.45 C ATOM 2198 OD1 ASN B 58 -4.890 14.348 -14.537 1.00 2.30 O ATOM 2199 ND2 ASN B 58 -3.608 12.923 -15.671 1.00 15.32 N ATOM 0 H ASN B 58 -4.800 13.801 -11.505 1.00 2.42 H new ATOM 0 HA ASN B 58 -6.499 13.042 -12.704 1.00 2.42 H new ATOM 0 HB2 ASN B 58 -4.496 11.166 -14.066 1.00 3.32 H new ATOM 0 HB3 ASN B 58 -6.053 11.651 -14.707 1.00 3.32 H new ATOM 0 HD21 ASN B 58 -3.136 13.683 -16.160 1.00 15.32 H new ATOM 0 HD22 ASN B 58 -3.349 11.955 -15.862 1.00 15.32 H new ATOM 2206 N GLY B 59 -6.340 10.955 -10.663 1.00 0.22 N ATOM 2207 CA GLY B 59 -6.873 9.800 -9.907 1.00 21.24 C ATOM 2208 C GLY B 59 -5.819 8.712 -9.611 1.00 1.41 C ATOM 2209 O GLY B 59 -6.038 7.844 -8.759 1.00 40.31 O ATOM 0 H GLY B 59 -5.965 11.697 -10.072 1.00 0.22 H new ATOM 0 HA2 GLY B 59 -7.290 10.155 -8.965 1.00 21.24 H new ATOM 0 HA3 GLY B 59 -7.693 9.355 -10.471 1.00 21.24 H new ATOM 2213 N LEU B 60 -4.676 8.769 -10.324 1.00 13.05 N ATOM 2214 CA LEU B 60 -3.574 7.776 -10.210 1.00 0.43 C ATOM 2215 C LEU B 60 -2.506 8.243 -9.184 1.00 22.23 C ATOM 2216 O LEU B 60 -2.260 9.446 -9.036 1.00 4.10 O ATOM 2217 CB LEU B 60 -2.907 7.532 -11.605 1.00 54.14 C ATOM 2218 CG LEU B 60 -3.738 6.712 -12.660 1.00 40.24 C ATOM 2219 CD1 LEU B 60 -5.027 7.436 -13.109 1.00 14.32 C ATOM 2220 CD2 LEU B 60 -2.867 6.342 -13.880 1.00 1.52 C ATOM 0 H LEU B 60 -4.485 9.508 -11.001 1.00 13.05 H new ATOM 0 HA LEU B 60 -4.004 6.839 -9.856 1.00 0.43 H new ATOM 0 HB2 LEU B 60 -2.669 8.502 -12.041 1.00 54.14 H new ATOM 0 HB3 LEU B 60 -1.961 7.015 -11.443 1.00 54.14 H new ATOM 0 HG LEU B 60 -4.053 5.796 -12.159 1.00 40.24 H new ATOM 0 HD11 LEU B 60 -5.556 6.820 -13.836 1.00 14.32 H new ATOM 0 HD12 LEU B 60 -5.668 7.607 -12.244 1.00 14.32 H new ATOM 0 HD13 LEU B 60 -4.768 8.392 -13.564 1.00 14.32 H new ATOM 0 HD21 LEU B 60 -3.464 5.776 -14.595 1.00 1.52 H new ATOM 0 HD22 LEU B 60 -2.500 7.252 -14.354 1.00 1.52 H new ATOM 0 HD23 LEU B 60 -2.021 5.737 -13.553 1.00 1.52 H new ATOM 2232 N ILE B 61 -1.880 7.279 -8.478 1.00 50.21 N ATOM 2233 CA ILE B 61 -0.805 7.562 -7.491 1.00 60.21 C ATOM 2234 C ILE B 61 0.577 7.731 -8.189 1.00 11.24 C ATOM 2235 O ILE B 61 1.008 6.867 -8.961 1.00 32.11 O ATOM 2236 CB ILE B 61 -0.719 6.424 -6.397 1.00 41.22 C ATOM 2237 CG1 ILE B 61 -2.093 6.240 -5.664 1.00 13.55 C ATOM 2238 CG2 ILE B 61 0.420 6.695 -5.376 1.00 74.35 C ATOM 2239 CD1 ILE B 61 -2.585 7.443 -4.873 1.00 3.12 C ATOM 0 H ILE B 61 -2.100 6.287 -8.571 1.00 50.21 H new ATOM 0 HA ILE B 61 -1.061 8.500 -6.999 1.00 60.21 H new ATOM 0 HB ILE B 61 -0.483 5.494 -6.915 1.00 41.22 H new ATOM 0 HG12 ILE B 61 -2.848 5.983 -6.407 1.00 13.55 H new ATOM 0 HG13 ILE B 61 -2.011 5.391 -4.985 1.00 13.55 H new ATOM 0 HG21 ILE B 61 0.448 5.891 -4.640 1.00 74.35 H new ATOM 0 HG22 ILE B 61 1.375 6.740 -5.900 1.00 74.35 H new ATOM 0 HG23 ILE B 61 0.238 7.644 -4.871 1.00 74.35 H new ATOM 0 HD11 ILE B 61 -3.542 7.206 -4.408 1.00 3.12 H new ATOM 0 HD12 ILE B 61 -1.858 7.692 -4.100 1.00 3.12 H new ATOM 0 HD13 ILE B 61 -2.708 8.294 -5.543 1.00 3.12 H new ATOM 2251 N GLU B 62 1.256 8.859 -7.906 1.00 54.22 N ATOM 2252 CA GLU B 62 2.616 9.164 -8.415 1.00 42.24 C ATOM 2253 C GLU B 62 3.629 9.112 -7.244 1.00 41.44 C ATOM 2254 O GLU B 62 3.465 9.837 -6.257 1.00 12.41 O ATOM 2255 CB GLU B 62 2.606 10.573 -9.070 1.00 51.44 C ATOM 2256 CG GLU B 62 3.900 10.983 -9.803 1.00 41.24 C ATOM 2257 CD GLU B 62 4.065 10.320 -11.174 1.00 34.03 C ATOM 2258 OE1 GLU B 62 4.517 9.165 -11.241 1.00 64.04 O ATOM 2259 OE2 GLU B 62 3.721 10.946 -12.198 1.00 62.40 O ATOM 0 H GLU B 62 0.875 9.595 -7.311 1.00 54.22 H new ATOM 0 HA GLU B 62 2.913 8.428 -9.162 1.00 42.24 H new ATOM 0 HB2 GLU B 62 1.780 10.617 -9.779 1.00 51.44 H new ATOM 0 HB3 GLU B 62 2.400 11.311 -8.295 1.00 51.44 H new ATOM 0 HG2 GLU B 62 3.909 12.066 -9.929 1.00 41.24 H new ATOM 0 HG3 GLU B 62 4.757 10.728 -9.180 1.00 41.24 H new ATOM 2266 N ILE B 63 4.673 8.259 -7.342 1.00 5.44 N ATOM 2267 CA ILE B 63 5.651 8.067 -6.238 1.00 24.40 C ATOM 2268 C ILE B 63 7.035 8.695 -6.575 1.00 23.25 C ATOM 2269 O ILE B 63 7.523 8.609 -7.708 1.00 1.35 O ATOM 2270 CB ILE B 63 5.817 6.538 -5.869 1.00 60.51 C ATOM 2271 CG1 ILE B 63 6.716 6.353 -4.600 1.00 41.51 C ATOM 2272 CG2 ILE B 63 6.362 5.718 -7.059 1.00 23.13 C ATOM 2273 CD1 ILE B 63 6.956 4.907 -4.191 1.00 61.13 C ATOM 0 H ILE B 63 4.863 7.693 -8.169 1.00 5.44 H new ATOM 0 HA ILE B 63 5.248 8.587 -5.369 1.00 24.40 H new ATOM 0 HB ILE B 63 4.824 6.154 -5.635 1.00 60.51 H new ATOM 0 HG12 ILE B 63 7.680 6.829 -4.783 1.00 41.51 H new ATOM 0 HG13 ILE B 63 6.254 6.880 -3.765 1.00 41.51 H new ATOM 0 HG21 ILE B 63 6.462 4.673 -6.765 1.00 23.13 H new ATOM 0 HG22 ILE B 63 5.672 5.794 -7.900 1.00 23.13 H new ATOM 0 HG23 ILE B 63 7.337 6.107 -7.353 1.00 23.13 H new ATOM 0 HD11 ILE B 63 7.588 4.880 -3.304 1.00 61.13 H new ATOM 0 HD12 ILE B 63 6.002 4.428 -3.971 1.00 61.13 H new ATOM 0 HD13 ILE B 63 7.450 4.376 -5.005 1.00 61.13 H new ATOM 2285 N TYR B 64 7.644 9.343 -5.564 1.00 13.14 N ATOM 2286 CA TYR B 64 9.000 9.939 -5.645 1.00 71.44 C ATOM 2287 C TYR B 64 9.871 9.460 -4.470 1.00 33.35 C ATOM 2288 O TYR B 64 9.377 8.839 -3.523 1.00 4.24 O ATOM 2289 CB TYR B 64 8.932 11.493 -5.635 1.00 43.31 C ATOM 2290 CG TYR B 64 8.194 12.115 -6.831 1.00 35.13 C ATOM 2291 CD1 TYR B 64 6.806 12.250 -6.836 1.00 14.02 C ATOM 2292 CD2 TYR B 64 8.889 12.568 -7.958 1.00 12.31 C ATOM 2293 CE1 TYR B 64 6.151 12.794 -7.910 1.00 23.23 C ATOM 2294 CE2 TYR B 64 8.224 13.119 -9.038 1.00 13.14 C ATOM 2295 CZ TYR B 64 6.854 13.232 -9.005 1.00 30.14 C ATOM 2296 OH TYR B 64 6.174 13.780 -10.072 1.00 31.40 O ATOM 0 H TYR B 64 7.205 9.472 -4.652 1.00 13.14 H new ATOM 0 HA TYR B 64 9.447 9.613 -6.584 1.00 71.44 H new ATOM 0 HB2 TYR B 64 8.442 11.815 -4.716 1.00 43.31 H new ATOM 0 HB3 TYR B 64 9.948 11.887 -5.609 1.00 43.31 H new ATOM 0 HD1 TYR B 64 6.238 11.920 -5.979 1.00 14.02 H new ATOM 0 HD2 TYR B 64 9.966 12.486 -7.985 1.00 12.31 H new ATOM 0 HE1 TYR B 64 5.074 12.879 -7.895 1.00 23.23 H new ATOM 0 HE2 TYR B 64 8.777 13.458 -9.901 1.00 13.14 H new ATOM 0 HH TYR B 64 5.378 14.250 -9.746 1.00 31.40 H new ATOM 2306 N ASN B 65 11.169 9.772 -4.547 1.00 32.42 N ATOM 2307 CA ASN B 65 12.144 9.468 -3.485 1.00 73.13 C ATOM 2308 C ASN B 65 12.245 10.655 -2.495 1.00 53.52 C ATOM 2309 O ASN B 65 11.829 11.777 -2.816 1.00 70.40 O ATOM 2310 CB ASN B 65 13.533 9.191 -4.124 1.00 42.02 C ATOM 2311 CG ASN B 65 14.510 8.486 -3.186 1.00 32.51 C ATOM 2312 OD1 ASN B 65 14.109 7.753 -2.297 1.00 25.22 O ATOM 2313 ND2 ASN B 65 15.797 8.699 -3.376 1.00 2.31 N ATOM 0 H ASN B 65 11.579 10.246 -5.352 1.00 32.42 H new ATOM 0 HA ASN B 65 11.814 8.585 -2.937 1.00 73.13 H new ATOM 0 HB2 ASN B 65 13.397 8.582 -5.018 1.00 42.02 H new ATOM 0 HB3 ASN B 65 13.970 10.136 -4.446 1.00 42.02 H new ATOM 0 HD21 ASN B 65 16.483 8.246 -2.772 1.00 2.31 H new ATOM 0 HD22 ASN B 65 16.106 9.316 -4.127 1.00 2.31 H new ATOM 2320 N GLU B 66 12.799 10.400 -1.297 1.00 13.15 N ATOM 2321 CA GLU B 66 13.103 11.465 -0.307 1.00 1.41 C ATOM 2322 C GLU B 66 14.410 12.245 -0.686 1.00 23.52 C ATOM 2323 O GLU B 66 14.973 12.054 -1.773 1.00 34.13 O ATOM 2324 CB GLU B 66 13.161 10.870 1.141 1.00 71.11 C ATOM 2325 CG GLU B 66 12.279 11.603 2.194 1.00 24.41 C ATOM 2326 CD GLU B 66 12.734 13.041 2.521 1.00 73.32 C ATOM 2327 OE1 GLU B 66 12.451 13.970 1.731 1.00 43.21 O ATOM 2328 OE2 GLU B 66 13.412 13.241 3.546 1.00 73.41 O ATOM 0 H GLU B 66 13.049 9.462 -0.983 1.00 13.15 H new ATOM 0 HA GLU B 66 12.293 12.194 -0.327 1.00 1.41 H new ATOM 0 HB2 GLU B 66 12.856 9.824 1.100 1.00 71.11 H new ATOM 0 HB3 GLU B 66 14.196 10.887 1.482 1.00 71.11 H new ATOM 0 HG2 GLU B 66 11.252 11.634 1.830 1.00 24.41 H new ATOM 0 HG3 GLU B 66 12.274 11.019 3.114 1.00 24.41 H new