USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 494 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: B 2 ASN : amide:sc= -4.98! C(o=-6.6!,f=-24!) USER MOD Set 1.2: B 7 TYR OH : rot 15:sc= -0.488 USER MOD Set 1.3: B 35 LYS NZ :NH3+ 177:sc= -1.15! (180deg=-1.48!) USER MOD Set 2.1: A 7 TYR OH : rot 15:sc= -0.491 USER MOD Set 2.2: A 35 LYS NZ :NH3+ -122:sc= 0.104 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -114:sc= 0.103 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0641 K(o=-0.064,f=-1.5!) USER MOD Single : A 8 LYS NZ :NH3+ -151:sc= -0.0678 (180deg=-0.509) USER MOD Single : A 14 GLN : amide:sc= -3.2! C(o=-3.2!,f=-3.6!) USER MOD Single : A 17 LYS NZ :NH3+ 168:sc= -0.0459 (180deg=-0.27) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -139:sc= -3.17 (180deg=-12.1!) USER MOD Single : A 36 GLN : amide:sc= -2.34! C(o=-2.3!,f=-2.8!) USER MOD Single : B 1 ALA N :NH3+ -179:sc= -1.83! (180deg=-1.89!) USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 GLN : amide:sc= -0.0816 X(o=-0.082,f=-0.017) USER MOD Single : B 17 LYS NZ :NH3+ -166:sc= -2.84! (180deg=-3.41!) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 33 MET CE :methyl 166:sc= -2.54! (180deg=-3.28!) USER MOD Single : B 36 GLN : amide:sc= -3.38 X(o=-3.4,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.549 -1.156 1.197 1.00 33.43 N ATOM 2 CA ALA A 1 2.281 -0.667 -0.144 1.00 4.12 C ATOM 3 C ALA A 1 1.481 -1.718 -0.916 1.00 23.11 C ATOM 4 O ALA A 1 1.454 -2.887 -0.534 1.00 44.21 O ATOM 5 CB ALA A 1 3.602 -0.317 -0.833 1.00 62.42 C ATOM 0 H1 ALA A 1 2.045 -0.566 1.889 1.00 33.43 H new ATOM 0 H2 ALA A 1 2.223 -2.140 1.279 1.00 33.43 H new ATOM 0 H3 ALA A 1 3.571 -1.113 1.384 1.00 33.43 H new ATOM 0 HA ALA A 1 1.681 0.242 -0.108 1.00 4.12 H new ATOM 0 HB1 ALA A 1 3.401 0.050 -1.840 1.00 62.42 H new ATOM 0 HB2 ALA A 1 4.117 0.455 -0.261 1.00 62.42 H new ATOM 0 HB3 ALA A 1 4.230 -1.206 -0.890 1.00 62.42 H new ATOM 11 N ASN A 2 0.848 -1.264 -1.989 1.00 23.45 N ATOM 12 CA ASN A 2 0.050 -2.151 -2.816 1.00 51.23 C ATOM 13 C ASN A 2 0.911 -2.684 -3.964 1.00 54.50 C ATOM 14 O ASN A 2 1.653 -1.928 -4.590 1.00 32.54 O ATOM 15 CB ASN A 2 -1.142 -1.411 -3.426 1.00 13.42 C ATOM 16 CG ASN A 2 -2.373 -1.516 -2.522 1.00 63.14 C ATOM 17 OD1 ASN A 2 -2.306 -1.958 -1.387 1.00 40.22 O ATOM 18 ND2 ASN A 2 -3.498 -1.087 -3.089 1.00 24.13 N ATOM 0 H ASN A 2 0.872 -0.294 -2.303 1.00 23.45 H new ATOM 0 HA ASN A 2 -0.312 -2.963 -2.186 1.00 51.23 H new ATOM 0 HB2 ASN A 2 -0.885 -0.362 -3.577 1.00 13.42 H new ATOM 0 HB3 ASN A 2 -1.370 -1.828 -4.407 1.00 13.42 H new ATOM 0 HD21 ASN A 2 -4.375 -1.117 -2.569 1.00 24.13 H new ATOM 0 HD22 ASN A 2 -3.483 -0.729 -4.044 1.00 24.13 H new ATOM 25 N GLU A 3 0.784 -3.980 -4.204 1.00 5.20 N ATOM 26 CA GLU A 3 1.542 -4.623 -5.265 1.00 1.25 C ATOM 27 C GLU A 3 1.382 -3.849 -6.575 1.00 4.43 C ATOM 28 O GLU A 3 0.454 -3.055 -6.721 1.00 73.30 O ATOM 29 CB GLU A 3 1.118 -6.082 -5.435 1.00 33.32 C ATOM 30 CG GLU A 3 1.356 -6.876 -4.148 1.00 73.41 C ATOM 31 CD GLU A 3 0.600 -8.206 -4.177 1.00 23.51 C ATOM 32 OE1 GLU A 3 -0.580 -8.242 -4.557 1.00 45.24 O ATOM 33 OE2 GLU A 3 1.282 -9.230 -3.786 1.00 2.21 O ATOM 0 H GLU A 3 0.168 -4.603 -3.682 1.00 5.20 H new ATOM 0 HA GLU A 3 2.596 -4.616 -4.988 1.00 1.25 H new ATOM 0 HB2 GLU A 3 0.063 -6.129 -5.706 1.00 33.32 H new ATOM 0 HB3 GLU A 3 1.677 -6.534 -6.254 1.00 33.32 H new ATOM 0 HG2 GLU A 3 2.423 -7.062 -4.023 1.00 73.41 H new ATOM 0 HG3 GLU A 3 1.033 -6.288 -3.289 1.00 73.41 H new ATOM 40 N GLY A 4 2.301 -4.107 -7.493 1.00 72.23 N ATOM 41 CA GLY A 4 2.273 -3.445 -8.786 1.00 62.42 C ATOM 42 C GLY A 4 2.602 -1.957 -8.647 1.00 25.12 C ATOM 43 O GLY A 4 2.044 -1.126 -9.361 1.00 65.22 O ATOM 0 H GLY A 4 3.070 -4.765 -7.367 1.00 72.23 H new ATOM 0 HA2 GLY A 4 2.990 -3.919 -9.457 1.00 62.42 H new ATOM 0 HA3 GLY A 4 1.288 -3.563 -9.238 1.00 62.42 H new ATOM 47 N ASP A 5 3.506 -1.668 -7.723 1.00 44.25 N ATOM 48 CA ASP A 5 3.917 -0.295 -7.482 1.00 53.52 C ATOM 49 C ASP A 5 5.433 -0.183 -7.649 1.00 52.43 C ATOM 50 O ASP A 5 6.124 -1.193 -7.772 1.00 0.44 O ATOM 51 CB ASP A 5 3.564 0.143 -6.058 1.00 51.03 C ATOM 52 CG ASP A 5 2.235 0.890 -5.922 1.00 64.52 C ATOM 53 OD1 ASP A 5 1.164 0.348 -6.231 1.00 14.24 O ATOM 54 OD2 ASP A 5 2.332 2.095 -5.472 1.00 1.22 O ATOM 0 H ASP A 5 3.966 -2.361 -7.132 1.00 44.25 H new ATOM 0 HA ASP A 5 3.396 0.343 -8.196 1.00 53.52 H new ATOM 0 HB2 ASP A 5 3.534 -0.740 -5.419 1.00 51.03 H new ATOM 0 HB3 ASP A 5 4.363 0.782 -5.682 1.00 51.03 H new ATOM 59 N VAL A 6 5.907 1.055 -7.648 1.00 13.02 N ATOM 60 CA VAL A 6 7.329 1.312 -7.798 1.00 52.23 C ATOM 61 C VAL A 6 7.767 2.346 -6.759 1.00 40.23 C ATOM 62 O VAL A 6 7.008 3.253 -6.421 1.00 23.23 O ATOM 63 CB VAL A 6 7.634 1.742 -9.235 1.00 30.14 C ATOM 64 CG1 VAL A 6 8.871 2.640 -9.287 1.00 73.21 C ATOM 65 CG2 VAL A 6 7.801 0.524 -10.147 1.00 24.32 C ATOM 0 H VAL A 6 5.331 1.891 -7.546 1.00 13.02 H new ATOM 0 HA VAL A 6 7.903 0.404 -7.616 1.00 52.23 H new ATOM 0 HB VAL A 6 6.785 2.320 -9.600 1.00 30.14 H new ATOM 0 HG11 VAL A 6 9.066 2.931 -10.319 1.00 73.21 H new ATOM 0 HG12 VAL A 6 8.699 3.532 -8.684 1.00 73.21 H new ATOM 0 HG13 VAL A 6 9.731 2.098 -8.895 1.00 73.21 H new ATOM 0 HG21 VAL A 6 8.017 0.857 -11.162 1.00 24.32 H new ATOM 0 HG22 VAL A 6 8.624 -0.092 -9.784 1.00 24.32 H new ATOM 0 HG23 VAL A 6 6.881 -0.061 -10.145 1.00 24.32 H new ATOM 75 N TYR A 7 8.991 2.175 -6.282 1.00 44.01 N ATOM 76 CA TYR A 7 9.541 3.082 -5.289 1.00 23.31 C ATOM 77 C TYR A 7 10.922 3.589 -5.712 1.00 75.40 C ATOM 78 O TYR A 7 11.828 2.796 -5.960 1.00 60.44 O ATOM 79 CB TYR A 7 9.683 2.264 -4.003 1.00 65.44 C ATOM 80 CG TYR A 7 8.461 2.327 -3.087 1.00 54.22 C ATOM 81 CD1 TYR A 7 8.294 3.396 -2.230 1.00 5.50 C ATOM 82 CD2 TYR A 7 7.522 1.315 -3.118 1.00 2.23 C ATOM 83 CE1 TYR A 7 7.143 3.456 -1.367 1.00 64.35 C ATOM 84 CE2 TYR A 7 6.371 1.374 -2.255 1.00 42.42 C ATOM 85 CZ TYR A 7 6.238 2.441 -1.422 1.00 52.34 C ATOM 86 OH TYR A 7 5.151 2.497 -0.608 1.00 32.14 O ATOM 0 H TYR A 7 9.618 1.422 -6.565 1.00 44.01 H new ATOM 0 HA TYR A 7 8.894 3.950 -5.163 1.00 23.31 H new ATOM 0 HB2 TYR A 7 9.874 1.224 -4.266 1.00 65.44 H new ATOM 0 HB3 TYR A 7 10.555 2.619 -3.453 1.00 65.44 H new ATOM 0 HD1 TYR A 7 9.028 4.188 -2.207 1.00 5.50 H new ATOM 0 HD2 TYR A 7 7.651 0.479 -3.790 1.00 2.23 H new ATOM 0 HE1 TYR A 7 7.001 4.287 -0.692 1.00 64.35 H new ATOM 0 HE2 TYR A 7 5.630 0.589 -2.269 1.00 42.42 H new ATOM 0 HH TYR A 7 5.057 3.404 -0.250 1.00 32.14 H new ATOM 96 N LYS A 8 11.037 4.906 -5.783 1.00 54.41 N ATOM 97 CA LYS A 8 12.291 5.528 -6.172 1.00 1.20 C ATOM 98 C LYS A 8 12.828 6.360 -5.005 1.00 35.40 C ATOM 99 O LYS A 8 12.090 7.139 -4.403 1.00 31.44 O ATOM 100 CB LYS A 8 12.115 6.327 -7.465 1.00 70.23 C ATOM 101 CG LYS A 8 13.397 7.080 -7.823 1.00 45.43 C ATOM 102 CD LYS A 8 13.274 8.566 -7.481 1.00 54.34 C ATOM 103 CE LYS A 8 13.164 9.413 -8.751 1.00 63.11 C ATOM 104 NZ LYS A 8 14.399 9.299 -9.559 1.00 4.33 N ATOM 0 H LYS A 8 10.282 5.560 -5.578 1.00 54.41 H new ATOM 0 HA LYS A 8 13.040 4.767 -6.393 1.00 1.20 H new ATOM 0 HB2 LYS A 8 11.845 5.654 -8.279 1.00 70.23 H new ATOM 0 HB3 LYS A 8 11.294 7.034 -7.351 1.00 70.23 H new ATOM 0 HG2 LYS A 8 14.240 6.648 -7.283 1.00 45.43 H new ATOM 0 HG3 LYS A 8 13.606 6.964 -8.886 1.00 45.43 H new ATOM 0 HD2 LYS A 8 12.397 8.727 -6.855 1.00 54.34 H new ATOM 0 HD3 LYS A 8 14.142 8.883 -6.902 1.00 54.34 H new ATOM 0 HE2 LYS A 8 12.306 9.087 -9.339 1.00 63.11 H new ATOM 0 HE3 LYS A 8 12.991 10.456 -8.486 1.00 63.11 H new ATOM 0 HZ1 LYS A 8 14.541 10.175 -10.101 1.00 4.33 H new ATOM 0 HZ2 LYS A 8 15.213 9.146 -8.930 1.00 4.33 H new ATOM 0 HZ3 LYS A 8 14.312 8.496 -10.214 1.00 4.33 H new ATOM 117 N CYS A 9 14.107 6.165 -4.720 1.00 33.54 N ATOM 118 CA CYS A 9 14.750 6.887 -3.636 1.00 61.51 C ATOM 119 C CYS A 9 15.017 8.319 -4.103 1.00 70.10 C ATOM 120 O CYS A 9 15.499 8.533 -5.215 1.00 34.11 O ATOM 121 CB CYS A 9 16.031 6.190 -3.174 1.00 24.14 C ATOM 122 SG CYS A 9 16.844 6.960 -1.724 1.00 23.52 S ATOM 0 H CYS A 9 14.715 5.517 -5.221 1.00 33.54 H new ATOM 0 HA CYS A 9 14.091 6.906 -2.768 1.00 61.51 H new ATOM 0 HB2 CYS A 9 15.797 5.153 -2.934 1.00 24.14 H new ATOM 0 HB3 CYS A 9 16.738 6.173 -4.003 1.00 24.14 H new ATOM 127 N GLU A 10 14.691 9.263 -3.232 1.00 20.53 N ATOM 128 CA GLU A 10 14.890 10.669 -3.541 1.00 72.44 C ATOM 129 C GLU A 10 16.269 11.128 -3.063 1.00 12.03 C ATOM 130 O GLU A 10 16.430 12.266 -2.626 1.00 12.01 O ATOM 131 CB GLU A 10 13.782 11.527 -2.928 1.00 41.01 C ATOM 132 CG GLU A 10 12.589 11.643 -3.879 1.00 14.42 C ATOM 133 CD GLU A 10 12.500 13.050 -4.476 1.00 70.52 C ATOM 134 OE1 GLU A 10 13.533 13.708 -4.668 1.00 61.41 O ATOM 135 OE2 GLU A 10 11.304 13.453 -4.746 1.00 24.44 O ATOM 0 H GLU A 10 14.290 9.082 -2.312 1.00 20.53 H new ATOM 0 HA GLU A 10 14.843 10.794 -4.623 1.00 72.44 H new ATOM 0 HB2 GLU A 10 13.458 11.089 -1.984 1.00 41.01 H new ATOM 0 HB3 GLU A 10 14.169 12.520 -2.702 1.00 41.01 H new ATOM 0 HG2 GLU A 10 12.685 10.909 -4.680 1.00 14.42 H new ATOM 0 HG3 GLU A 10 11.668 11.412 -3.343 1.00 14.42 H new ATOM 142 N LEU A 11 17.227 10.219 -3.162 1.00 23.12 N ATOM 143 CA LEU A 11 18.587 10.517 -2.744 1.00 72.21 C ATOM 144 C LEU A 11 19.567 9.950 -3.772 1.00 60.32 C ATOM 145 O LEU A 11 20.321 10.697 -4.396 1.00 35.34 O ATOM 146 CB LEU A 11 18.832 10.016 -1.319 1.00 63.24 C ATOM 147 CG LEU A 11 18.910 11.092 -0.234 1.00 63.22 C ATOM 148 CD1 LEU A 11 17.929 10.797 0.902 1.00 41.11 C ATOM 149 CD2 LEU A 11 20.344 11.254 0.275 1.00 41.15 C ATOM 0 H LEU A 11 17.089 9.276 -3.525 1.00 23.12 H new ATOM 0 HA LEU A 11 18.748 11.595 -2.710 1.00 72.21 H new ATOM 0 HB2 LEU A 11 18.034 9.321 -1.057 1.00 63.24 H new ATOM 0 HB3 LEU A 11 19.763 9.450 -1.309 1.00 63.24 H new ATOM 0 HG LEU A 11 18.615 12.044 -0.675 1.00 63.22 H new ATOM 0 HD11 LEU A 11 18.005 11.577 1.660 1.00 41.11 H new ATOM 0 HD12 LEU A 11 16.913 10.771 0.508 1.00 41.11 H new ATOM 0 HD13 LEU A 11 18.169 9.832 1.349 1.00 41.11 H new ATOM 0 HD21 LEU A 11 20.372 12.025 1.045 1.00 41.15 H new ATOM 0 HD22 LEU A 11 20.690 10.309 0.694 1.00 41.15 H new ATOM 0 HD23 LEU A 11 20.993 11.544 -0.552 1.00 41.15 H new ATOM 161 N CYS A 12 19.526 8.633 -3.918 1.00 45.05 N ATOM 162 CA CYS A 12 20.403 7.957 -4.861 1.00 34.14 C ATOM 163 C CYS A 12 19.657 7.809 -6.188 1.00 51.34 C ATOM 164 O CYS A 12 20.213 8.084 -7.250 1.00 53.45 O ATOM 165 CB CYS A 12 20.880 6.608 -4.321 1.00 13.24 C ATOM 166 SG CYS A 12 19.547 5.502 -3.730 1.00 52.31 S ATOM 0 H CYS A 12 18.900 8.016 -3.400 1.00 45.05 H new ATOM 0 HA CYS A 12 21.304 8.551 -5.016 1.00 34.14 H new ATOM 0 HB2 CYS A 12 21.437 6.095 -5.105 1.00 13.24 H new ATOM 0 HB3 CYS A 12 21.575 6.786 -3.501 1.00 13.24 H new ATOM 171 N GLY A 13 18.409 7.375 -6.085 1.00 4.43 N ATOM 172 CA GLY A 13 17.581 7.187 -7.264 1.00 5.24 C ATOM 173 C GLY A 13 17.267 5.707 -7.483 1.00 23.50 C ATOM 174 O GLY A 13 16.963 5.290 -8.600 1.00 54.54 O ATOM 0 H GLY A 13 17.951 7.148 -5.202 1.00 4.43 H new ATOM 0 HA2 GLY A 13 16.652 7.747 -7.154 1.00 5.24 H new ATOM 0 HA3 GLY A 13 18.092 7.587 -8.139 1.00 5.24 H new ATOM 178 N GLN A 14 17.352 4.949 -6.399 1.00 51.44 N ATOM 179 CA GLN A 14 17.080 3.524 -6.458 1.00 64.44 C ATOM 180 C GLN A 14 15.595 3.276 -6.727 1.00 12.24 C ATOM 181 O GLN A 14 14.752 3.556 -5.875 1.00 61.50 O ATOM 182 CB GLN A 14 17.529 2.826 -5.173 1.00 33.41 C ATOM 183 CG GLN A 14 17.565 1.307 -5.356 1.00 75.14 C ATOM 184 CD GLN A 14 17.623 0.592 -4.005 1.00 51.41 C ATOM 185 OE1 GLN A 14 17.150 -0.520 -3.841 1.00 14.42 O ATOM 186 NE2 GLN A 14 18.231 1.291 -3.050 1.00 55.22 N ATOM 0 H GLN A 14 17.606 5.296 -5.474 1.00 51.44 H new ATOM 0 HA GLN A 14 17.653 3.099 -7.282 1.00 64.44 H new ATOM 0 HB2 GLN A 14 18.518 3.185 -4.887 1.00 33.41 H new ATOM 0 HB3 GLN A 14 16.850 3.082 -4.360 1.00 33.41 H new ATOM 0 HG2 GLN A 14 16.681 0.983 -5.905 1.00 75.14 H new ATOM 0 HG3 GLN A 14 18.432 1.030 -5.955 1.00 75.14 H new ATOM 0 HE21 GLN A 14 18.605 2.217 -3.256 1.00 55.22 H new ATOM 0 HE22 GLN A 14 18.323 0.900 -2.112 1.00 55.22 H new ATOM 195 N VAL A 15 15.319 2.756 -7.914 1.00 30.20 N ATOM 196 CA VAL A 15 13.950 2.469 -8.304 1.00 72.45 C ATOM 197 C VAL A 15 13.716 0.957 -8.255 1.00 31.05 C ATOM 198 O VAL A 15 14.372 0.200 -8.968 1.00 3.15 O ATOM 199 CB VAL A 15 13.660 3.073 -9.680 1.00 62.32 C ATOM 200 CG1 VAL A 15 12.239 2.739 -10.138 1.00 30.35 C ATOM 201 CG2 VAL A 15 13.893 4.585 -9.674 1.00 32.00 C ATOM 0 H VAL A 15 16.020 2.526 -8.618 1.00 30.20 H new ATOM 0 HA VAL A 15 13.250 2.930 -7.607 1.00 72.45 H new ATOM 0 HB VAL A 15 14.354 2.629 -10.394 1.00 62.32 H new ATOM 0 HG11 VAL A 15 12.060 3.180 -11.118 1.00 30.35 H new ATOM 0 HG12 VAL A 15 12.122 1.657 -10.200 1.00 30.35 H new ATOM 0 HG13 VAL A 15 11.522 3.141 -9.422 1.00 30.35 H new ATOM 0 HG21 VAL A 15 13.680 4.990 -10.663 1.00 32.00 H new ATOM 0 HG22 VAL A 15 13.234 5.052 -8.941 1.00 32.00 H new ATOM 0 HG23 VAL A 15 14.931 4.792 -9.413 1.00 32.00 H new ATOM 211 N VAL A 16 12.778 0.563 -7.405 1.00 41.44 N ATOM 212 CA VAL A 16 12.450 -0.843 -7.253 1.00 20.33 C ATOM 213 C VAL A 16 10.950 -1.040 -7.482 1.00 71.51 C ATOM 214 O VAL A 16 10.166 -0.105 -7.329 1.00 44.32 O ATOM 215 CB VAL A 16 12.915 -1.344 -5.884 1.00 20.22 C ATOM 216 CG1 VAL A 16 14.322 -0.836 -5.563 1.00 44.40 C ATOM 217 CG2 VAL A 16 11.925 -0.945 -4.788 1.00 10.13 C ATOM 0 H VAL A 16 12.235 1.194 -6.815 1.00 41.44 H new ATOM 0 HA VAL A 16 12.975 -1.440 -7.999 1.00 20.33 H new ATOM 0 HB VAL A 16 12.952 -2.433 -5.921 1.00 20.22 H new ATOM 0 HG11 VAL A 16 14.628 -1.207 -4.585 1.00 44.40 H new ATOM 0 HG12 VAL A 16 15.019 -1.193 -6.321 1.00 44.40 H new ATOM 0 HG13 VAL A 16 14.322 0.254 -5.554 1.00 44.40 H new ATOM 0 HG21 VAL A 16 12.280 -1.314 -3.826 1.00 10.13 H new ATOM 0 HG22 VAL A 16 11.840 0.141 -4.752 1.00 10.13 H new ATOM 0 HG23 VAL A 16 10.948 -1.378 -5.005 1.00 10.13 H new ATOM 227 N LYS A 17 10.595 -2.264 -7.846 1.00 62.32 N ATOM 228 CA LYS A 17 9.204 -2.596 -8.099 1.00 14.42 C ATOM 229 C LYS A 17 8.701 -3.539 -7.004 1.00 3.22 C ATOM 230 O LYS A 17 9.265 -4.612 -6.797 1.00 64.11 O ATOM 231 CB LYS A 17 9.034 -3.152 -9.514 1.00 52.41 C ATOM 232 CG LYS A 17 8.158 -4.407 -9.510 1.00 12.03 C ATOM 233 CD LYS A 17 6.715 -4.066 -9.131 1.00 74.44 C ATOM 234 CE LYS A 17 5.871 -3.792 -10.377 1.00 64.34 C ATOM 235 NZ LYS A 17 5.060 -4.980 -10.726 1.00 62.11 N ATOM 0 H LYS A 17 11.248 -3.038 -7.972 1.00 62.32 H new ATOM 0 HA LYS A 17 8.586 -1.699 -8.057 1.00 14.42 H new ATOM 0 HB2 LYS A 17 8.585 -2.393 -10.155 1.00 52.41 H new ATOM 0 HB3 LYS A 17 10.011 -3.388 -9.935 1.00 52.41 H new ATOM 0 HG2 LYS A 17 8.179 -4.873 -10.495 1.00 12.03 H new ATOM 0 HG3 LYS A 17 8.561 -5.134 -8.805 1.00 12.03 H new ATOM 0 HD2 LYS A 17 6.279 -4.890 -8.566 1.00 74.44 H new ATOM 0 HD3 LYS A 17 6.703 -3.192 -8.480 1.00 74.44 H new ATOM 0 HE2 LYS A 17 5.218 -2.938 -10.200 1.00 64.34 H new ATOM 0 HE3 LYS A 17 6.520 -3.529 -11.212 1.00 64.34 H new ATOM 0 HZ1 LYS A 17 4.350 -4.718 -11.440 1.00 62.11 H new ATOM 0 HZ2 LYS A 17 5.679 -5.722 -11.110 1.00 62.11 H new ATOM 0 HZ3 LYS A 17 4.580 -5.335 -9.874 1.00 62.11 H new ATOM 248 N VAL A 18 7.646 -3.104 -6.331 1.00 11.02 N ATOM 249 CA VAL A 18 7.062 -3.896 -5.262 1.00 11.10 C ATOM 250 C VAL A 18 6.403 -5.142 -5.858 1.00 25.45 C ATOM 251 O VAL A 18 5.399 -5.042 -6.560 1.00 55.43 O ATOM 252 CB VAL A 18 6.092 -3.039 -4.445 1.00 60.45 C ATOM 253 CG1 VAL A 18 5.504 -3.836 -3.280 1.00 74.54 C ATOM 254 CG2 VAL A 18 6.773 -1.763 -3.949 1.00 11.33 C ATOM 0 H VAL A 18 7.180 -2.213 -6.505 1.00 11.02 H new ATOM 0 HA VAL A 18 7.835 -4.235 -4.572 1.00 11.10 H new ATOM 0 HB VAL A 18 5.270 -2.747 -5.099 1.00 60.45 H new ATOM 0 HG11 VAL A 18 4.818 -3.204 -2.716 1.00 74.54 H new ATOM 0 HG12 VAL A 18 4.965 -4.701 -3.666 1.00 74.54 H new ATOM 0 HG13 VAL A 18 6.309 -4.172 -2.626 1.00 74.54 H new ATOM 0 HG21 VAL A 18 6.062 -1.172 -3.371 1.00 11.33 H new ATOM 0 HG22 VAL A 18 7.623 -2.025 -3.319 1.00 11.33 H new ATOM 0 HG23 VAL A 18 7.120 -1.181 -4.802 1.00 11.33 H new ATOM 264 N LEU A 19 6.996 -6.288 -5.555 1.00 51.01 N ATOM 265 CA LEU A 19 6.480 -7.552 -6.052 1.00 51.24 C ATOM 266 C LEU A 19 5.309 -7.999 -5.176 1.00 21.35 C ATOM 267 O LEU A 19 4.182 -8.122 -5.652 1.00 54.53 O ATOM 268 CB LEU A 19 7.603 -8.587 -6.154 1.00 54.21 C ATOM 269 CG LEU A 19 8.234 -8.756 -7.537 1.00 61.24 C ATOM 270 CD1 LEU A 19 9.430 -7.818 -7.712 1.00 51.43 C ATOM 271 CD2 LEU A 19 8.610 -10.217 -7.792 1.00 63.34 C ATOM 0 H LEU A 19 7.829 -6.367 -4.972 1.00 51.01 H new ATOM 0 HA LEU A 19 6.094 -7.434 -7.065 1.00 51.24 H new ATOM 0 HB2 LEU A 19 8.388 -8.313 -5.449 1.00 54.21 H new ATOM 0 HB3 LEU A 19 7.211 -9.553 -5.835 1.00 54.21 H new ATOM 0 HG LEU A 19 7.494 -8.478 -8.287 1.00 61.24 H new ATOM 0 HD11 LEU A 19 9.860 -7.958 -8.704 1.00 51.43 H new ATOM 0 HD12 LEU A 19 9.101 -6.785 -7.602 1.00 51.43 H new ATOM 0 HD13 LEU A 19 10.182 -8.042 -6.955 1.00 51.43 H new ATOM 0 HD21 LEU A 19 9.057 -10.310 -8.782 1.00 63.34 H new ATOM 0 HD22 LEU A 19 9.326 -10.545 -7.038 1.00 63.34 H new ATOM 0 HD23 LEU A 19 7.716 -10.838 -7.738 1.00 63.34 H new ATOM 283 N GLU A 20 5.616 -8.232 -3.907 1.00 32.10 N ATOM 284 CA GLU A 20 4.603 -8.664 -2.959 1.00 11.32 C ATOM 285 C GLU A 20 4.655 -7.800 -1.698 1.00 12.11 C ATOM 286 O GLU A 20 5.632 -7.843 -0.952 1.00 14.12 O ATOM 287 CB GLU A 20 4.768 -10.146 -2.617 1.00 22.01 C ATOM 288 CG GLU A 20 5.794 -10.339 -1.498 1.00 63.15 C ATOM 289 CD GLU A 20 6.232 -11.802 -1.402 1.00 75.14 C ATOM 290 OE1 GLU A 20 6.717 -12.370 -2.392 1.00 3.45 O ATOM 291 OE2 GLU A 20 6.053 -12.349 -0.248 1.00 62.33 O ATOM 0 H GLU A 20 6.552 -8.130 -3.514 1.00 32.10 H new ATOM 0 HA GLU A 20 3.624 -8.540 -3.421 1.00 11.32 H new ATOM 0 HB2 GLU A 20 3.808 -10.561 -2.311 1.00 22.01 H new ATOM 0 HB3 GLU A 20 5.084 -10.695 -3.504 1.00 22.01 H new ATOM 0 HG2 GLU A 20 6.663 -9.707 -1.683 1.00 63.15 H new ATOM 0 HG3 GLU A 20 5.365 -10.021 -0.548 1.00 63.15 H new ATOM 298 N GLU A 21 3.590 -7.036 -1.497 1.00 60.23 N ATOM 299 CA GLU A 21 3.502 -6.164 -0.339 1.00 44.21 C ATOM 300 C GLU A 21 3.782 -6.953 0.943 1.00 42.24 C ATOM 301 O GLU A 21 3.765 -8.183 0.933 1.00 24.21 O ATOM 302 CB GLU A 21 2.137 -5.476 -0.272 1.00 62.41 C ATOM 303 CG GLU A 21 1.030 -6.485 0.042 1.00 64.21 C ATOM 304 CD GLU A 21 -0.261 -6.130 -0.700 1.00 22.40 C ATOM 305 OE1 GLU A 21 -0.427 -4.984 -1.142 1.00 31.12 O ATOM 306 OE2 GLU A 21 -1.108 -7.096 -0.811 1.00 31.51 O ATOM 0 H GLU A 21 2.781 -7.004 -2.117 1.00 60.23 H new ATOM 0 HA GLU A 21 4.259 -5.386 -0.437 1.00 44.21 H new ATOM 0 HB2 GLU A 21 2.154 -4.700 0.493 1.00 62.41 H new ATOM 0 HB3 GLU A 21 1.927 -4.984 -1.221 1.00 62.41 H new ATOM 0 HG2 GLU A 21 1.354 -7.486 -0.243 1.00 64.21 H new ATOM 0 HG3 GLU A 21 0.843 -6.503 1.116 1.00 64.21 H new ATOM 313 N GLY A 22 4.032 -6.213 2.012 1.00 51.20 N ATOM 314 CA GLY A 22 4.315 -6.829 3.298 1.00 52.32 C ATOM 315 C GLY A 22 3.688 -6.024 4.439 1.00 32.55 C ATOM 316 O GLY A 22 2.800 -6.516 5.134 1.00 0.43 O ATOM 0 H GLY A 22 4.045 -5.193 2.015 1.00 51.20 H new ATOM 0 HA2 GLY A 22 3.928 -7.848 3.311 1.00 52.32 H new ATOM 0 HA3 GLY A 22 5.393 -6.896 3.444 1.00 52.32 H new ATOM 320 N GLY A 23 4.175 -4.803 4.598 1.00 21.12 N ATOM 321 CA GLY A 23 3.674 -3.928 5.644 1.00 42.50 C ATOM 322 C GLY A 23 4.811 -3.117 6.271 1.00 32.12 C ATOM 323 O GLY A 23 5.021 -3.171 7.482 1.00 22.40 O ATOM 0 H GLY A 23 4.912 -4.398 4.020 1.00 21.12 H new ATOM 0 HA2 GLY A 23 2.925 -3.252 5.230 1.00 42.50 H new ATOM 0 HA3 GLY A 23 3.178 -4.521 6.413 1.00 42.50 H new ATOM 327 N GLY A 24 5.513 -2.385 5.420 1.00 4.31 N ATOM 328 CA GLY A 24 6.623 -1.565 5.876 1.00 54.42 C ATOM 329 C GLY A 24 7.024 -0.544 4.809 1.00 3.35 C ATOM 330 O GLY A 24 6.343 -0.399 3.795 1.00 21.04 O ATOM 0 H GLY A 24 5.335 -2.342 4.417 1.00 4.31 H new ATOM 0 HA2 GLY A 24 6.344 -1.047 6.794 1.00 54.42 H new ATOM 0 HA3 GLY A 24 7.476 -2.201 6.115 1.00 54.42 H new ATOM 334 N THR A 25 8.129 0.138 5.076 1.00 40.25 N ATOM 335 CA THR A 25 8.630 1.141 4.151 1.00 15.03 C ATOM 336 C THR A 25 10.085 0.848 3.783 1.00 71.25 C ATOM 337 O THR A 25 10.807 0.210 4.547 1.00 35.41 O ATOM 338 CB THR A 25 8.431 2.516 4.794 1.00 65.13 C ATOM 339 OG1 THR A 25 7.048 2.795 4.596 1.00 62.04 O ATOM 340 CG2 THR A 25 9.149 3.629 4.026 1.00 22.03 C ATOM 0 H THR A 25 8.691 0.016 5.919 1.00 40.25 H new ATOM 0 HA THR A 25 8.080 1.122 3.210 1.00 15.03 H new ATOM 0 HB THR A 25 8.791 2.492 5.822 1.00 65.13 H new ATOM 0 HG1 THR A 25 6.832 3.668 4.984 1.00 62.04 H new ATOM 0 HG21 THR A 25 8.976 4.584 4.523 1.00 22.03 H new ATOM 0 HG22 THR A 25 10.219 3.422 4.000 1.00 22.03 H new ATOM 0 HG23 THR A 25 8.764 3.675 3.007 1.00 22.03 H new ATOM 348 N LEU A 26 10.473 1.326 2.610 1.00 53.44 N ATOM 349 CA LEU A 26 11.829 1.123 2.129 1.00 22.51 C ATOM 350 C LEU A 26 12.653 2.385 2.392 1.00 44.33 C ATOM 351 O LEU A 26 12.877 3.184 1.483 1.00 33.14 O ATOM 352 CB LEU A 26 11.818 0.689 0.662 1.00 24.34 C ATOM 353 CG LEU A 26 10.725 -0.304 0.264 1.00 33.24 C ATOM 354 CD1 LEU A 26 10.446 -0.240 -1.238 1.00 51.45 C ATOM 355 CD2 LEU A 26 11.078 -1.721 0.721 1.00 21.30 C ATOM 0 H LEU A 26 9.871 1.854 1.978 1.00 53.44 H new ATOM 0 HA LEU A 26 12.309 0.310 2.674 1.00 22.51 H new ATOM 0 HB2 LEU A 26 11.716 1.579 0.041 1.00 24.34 H new ATOM 0 HB3 LEU A 26 12.786 0.246 0.428 1.00 24.34 H new ATOM 0 HG LEU A 26 9.805 -0.021 0.775 1.00 33.24 H new ATOM 0 HD11 LEU A 26 9.665 -0.956 -1.494 1.00 51.45 H new ATOM 0 HD12 LEU A 26 10.119 0.765 -1.505 1.00 51.45 H new ATOM 0 HD13 LEU A 26 11.355 -0.483 -1.788 1.00 51.45 H new ATOM 0 HD21 LEU A 26 10.284 -2.407 0.425 1.00 21.30 H new ATOM 0 HD22 LEU A 26 12.015 -2.030 0.258 1.00 21.30 H new ATOM 0 HD23 LEU A 26 11.186 -1.737 1.805 1.00 21.30 H new ATOM 367 N VAL A 27 13.083 2.525 3.637 1.00 70.21 N ATOM 368 CA VAL A 27 13.877 3.676 4.031 1.00 42.23 C ATOM 369 C VAL A 27 15.285 3.543 3.445 1.00 14.32 C ATOM 370 O VAL A 27 16.085 2.741 3.922 1.00 30.21 O ATOM 371 CB VAL A 27 13.874 3.819 5.553 1.00 4.03 C ATOM 372 CG1 VAL A 27 14.768 4.978 5.997 1.00 11.20 C ATOM 373 CG2 VAL A 27 12.450 3.990 6.086 1.00 73.15 C ATOM 0 H VAL A 27 12.896 1.859 4.387 1.00 70.21 H new ATOM 0 HA VAL A 27 13.444 4.593 3.632 1.00 42.23 H new ATOM 0 HB VAL A 27 14.281 2.901 5.976 1.00 4.03 H new ATOM 0 HG11 VAL A 27 14.748 5.057 7.084 1.00 11.20 H new ATOM 0 HG12 VAL A 27 15.790 4.797 5.665 1.00 11.20 H new ATOM 0 HG13 VAL A 27 14.404 5.907 5.558 1.00 11.20 H new ATOM 0 HG21 VAL A 27 12.477 4.089 7.171 1.00 73.15 H new ATOM 0 HG22 VAL A 27 12.003 4.884 5.651 1.00 73.15 H new ATOM 0 HG23 VAL A 27 11.853 3.118 5.816 1.00 73.15 H new ATOM 383 N CYS A 28 15.542 4.341 2.419 1.00 11.44 N ATOM 384 CA CYS A 28 16.839 4.322 1.764 1.00 3.33 C ATOM 385 C CYS A 28 17.472 5.708 1.912 1.00 51.20 C ATOM 386 O CYS A 28 16.808 6.722 1.708 1.00 51.34 O ATOM 387 CB CYS A 28 16.726 3.901 0.298 1.00 32.42 C ATOM 388 SG CYS A 28 18.310 3.432 -0.490 1.00 53.20 S ATOM 0 H CYS A 28 14.875 5.004 2.025 1.00 11.44 H new ATOM 0 HA CYS A 28 17.478 3.578 2.239 1.00 3.33 H new ATOM 0 HB2 CYS A 28 16.038 3.058 0.229 1.00 32.42 H new ATOM 0 HB3 CYS A 28 16.284 4.721 -0.268 1.00 32.42 H new ATOM 393 N CYS A 29 18.749 5.706 2.266 1.00 31.53 N ATOM 394 CA CYS A 29 19.479 6.949 2.443 1.00 72.40 C ATOM 395 C CYS A 29 18.829 7.728 3.589 1.00 54.11 C ATOM 396 O CYS A 29 18.829 8.958 3.586 1.00 12.22 O ATOM 397 CB CYS A 29 19.526 7.767 1.151 1.00 35.35 C ATOM 398 SG CYS A 29 20.614 7.082 -0.151 1.00 3.33 S ATOM 0 H CYS A 29 19.297 4.862 2.435 1.00 31.53 H new ATOM 0 HA CYS A 29 20.517 6.732 2.695 1.00 72.40 H new ATOM 0 HB2 CYS A 29 18.515 7.850 0.753 1.00 35.35 H new ATOM 0 HB3 CYS A 29 19.859 8.777 1.389 1.00 35.35 H new ATOM 403 N GLY A 30 18.290 6.980 4.540 1.00 22.15 N ATOM 404 CA GLY A 30 17.639 7.585 5.689 1.00 3.42 C ATOM 405 C GLY A 30 16.384 8.351 5.267 1.00 14.25 C ATOM 406 O GLY A 30 15.922 9.238 5.984 1.00 23.32 O ATOM 0 H GLY A 30 18.291 5.960 4.538 1.00 22.15 H new ATOM 0 HA2 GLY A 30 17.372 6.812 6.409 1.00 3.42 H new ATOM 0 HA3 GLY A 30 18.332 8.262 6.189 1.00 3.42 H new ATOM 410 N GLU A 31 15.867 7.982 4.104 1.00 51.32 N ATOM 411 CA GLU A 31 14.674 8.624 3.578 1.00 1.11 C ATOM 412 C GLU A 31 13.712 7.576 3.016 1.00 71.31 C ATOM 413 O GLU A 31 14.098 6.754 2.186 1.00 41.13 O ATOM 414 CB GLU A 31 15.034 9.663 2.515 1.00 44.43 C ATOM 415 CG GLU A 31 13.967 10.756 2.432 1.00 41.30 C ATOM 416 CD GLU A 31 13.641 11.096 0.977 1.00 13.00 C ATOM 417 OE1 GLU A 31 12.949 10.322 0.300 1.00 35.45 O ATOM 418 OE2 GLU A 31 14.134 12.210 0.552 1.00 30.55 O ATOM 0 H GLU A 31 16.252 7.247 3.511 1.00 51.32 H new ATOM 0 HA GLU A 31 14.176 9.146 4.395 1.00 1.11 H new ATOM 0 HB2 GLU A 31 16.000 10.110 2.751 1.00 44.43 H new ATOM 0 HB3 GLU A 31 15.137 9.176 1.545 1.00 44.43 H new ATOM 0 HG2 GLU A 31 13.063 10.426 2.943 1.00 41.30 H new ATOM 0 HG3 GLU A 31 14.317 11.650 2.948 1.00 41.30 H new ATOM 425 N ASP A 32 12.476 7.638 3.491 1.00 64.31 N ATOM 426 CA ASP A 32 11.456 6.704 3.046 1.00 72.11 C ATOM 427 C ASP A 32 11.246 6.864 1.539 1.00 5.41 C ATOM 428 O ASP A 32 10.759 7.897 1.082 1.00 74.31 O ATOM 429 CB ASP A 32 10.120 6.977 3.740 1.00 42.31 C ATOM 430 CG ASP A 32 9.599 8.409 3.602 1.00 61.43 C ATOM 431 OD1 ASP A 32 10.060 9.327 4.295 1.00 23.43 O ATOM 432 OD2 ASP A 32 8.667 8.566 2.724 1.00 55.54 O ATOM 0 H ASP A 32 12.158 8.320 4.179 1.00 64.31 H new ATOM 0 HA ASP A 32 11.792 5.696 3.291 1.00 72.11 H new ATOM 0 HB2 ASP A 32 9.372 6.294 3.337 1.00 42.31 H new ATOM 0 HB3 ASP A 32 10.225 6.745 4.800 1.00 42.31 H new ATOM 437 N MET A 33 11.627 5.826 0.808 1.00 13.21 N ATOM 438 CA MET A 33 11.487 5.838 -0.638 1.00 72.33 C ATOM 439 C MET A 33 10.121 6.391 -1.052 1.00 52.03 C ATOM 440 O MET A 33 9.127 6.181 -0.360 1.00 75.31 O ATOM 441 CB MET A 33 11.647 4.416 -1.178 1.00 62.15 C ATOM 442 CG MET A 33 12.204 4.431 -2.604 1.00 10.21 C ATOM 443 SD MET A 33 13.065 2.904 -2.940 1.00 34.12 S ATOM 444 CE MET A 33 14.234 2.905 -1.590 1.00 72.33 C ATOM 0 H MET A 33 12.032 4.972 1.190 1.00 13.21 H new ATOM 0 HA MET A 33 12.261 6.483 -1.054 1.00 72.33 H new ATOM 0 HB2 MET A 33 12.315 3.849 -0.529 1.00 62.15 H new ATOM 0 HB3 MET A 33 10.683 3.908 -1.165 1.00 62.15 H new ATOM 0 HG2 MET A 33 11.392 4.565 -3.319 1.00 10.21 H new ATOM 0 HG3 MET A 33 12.882 5.275 -2.729 1.00 10.21 H new ATOM 0 HE1 MET A 33 15.205 2.566 -1.950 1.00 72.33 H new ATOM 0 HE2 MET A 33 14.328 3.915 -1.190 1.00 72.33 H new ATOM 0 HE3 MET A 33 13.884 2.235 -0.805 1.00 72.33 H new ATOM 454 N VAL A 34 10.117 7.085 -2.180 1.00 54.14 N ATOM 455 CA VAL A 34 8.890 7.670 -2.695 1.00 31.31 C ATOM 456 C VAL A 34 8.263 6.714 -3.712 1.00 34.20 C ATOM 457 O VAL A 34 8.924 5.799 -4.199 1.00 64.52 O ATOM 458 CB VAL A 34 9.173 9.057 -3.275 1.00 64.44 C ATOM 459 CG1 VAL A 34 10.119 9.847 -2.368 1.00 70.45 C ATOM 460 CG2 VAL A 34 9.734 8.954 -4.695 1.00 32.32 C ATOM 0 H VAL A 34 10.944 7.256 -2.752 1.00 54.14 H new ATOM 0 HA VAL A 34 8.168 7.811 -1.891 1.00 31.31 H new ATOM 0 HB VAL A 34 8.228 9.598 -3.327 1.00 64.44 H new ATOM 0 HG11 VAL A 34 10.304 10.829 -2.803 1.00 70.45 H new ATOM 0 HG12 VAL A 34 9.665 9.965 -1.384 1.00 70.45 H new ATOM 0 HG13 VAL A 34 11.062 9.310 -2.270 1.00 70.45 H new ATOM 0 HG21 VAL A 34 9.926 9.954 -5.084 1.00 32.32 H new ATOM 0 HG22 VAL A 34 10.664 8.386 -4.678 1.00 32.32 H new ATOM 0 HG23 VAL A 34 9.012 8.448 -5.336 1.00 32.32 H new ATOM 470 N LYS A 35 6.993 6.958 -4.002 1.00 1.21 N ATOM 471 CA LYS A 35 6.269 6.131 -4.952 1.00 44.01 C ATOM 472 C LYS A 35 6.372 6.753 -6.347 1.00 2.14 C ATOM 473 O LYS A 35 6.514 7.968 -6.479 1.00 13.44 O ATOM 474 CB LYS A 35 4.831 5.909 -4.482 1.00 50.02 C ATOM 475 CG LYS A 35 4.421 4.444 -4.643 1.00 52.45 C ATOM 476 CD LYS A 35 4.046 3.828 -3.294 1.00 44.11 C ATOM 477 CE LYS A 35 2.573 4.079 -2.966 1.00 44.21 C ATOM 478 NZ LYS A 35 2.274 3.663 -1.578 1.00 33.23 N ATOM 0 H LYS A 35 6.447 7.717 -3.595 1.00 1.21 H new ATOM 0 HA LYS A 35 6.717 5.139 -5.012 1.00 44.01 H new ATOM 0 HB2 LYS A 35 4.737 6.204 -3.437 1.00 50.02 H new ATOM 0 HB3 LYS A 35 4.155 6.544 -5.055 1.00 50.02 H new ATOM 0 HG2 LYS A 35 3.575 4.372 -5.327 1.00 52.45 H new ATOM 0 HG3 LYS A 35 5.240 3.880 -5.089 1.00 52.45 H new ATOM 0 HD2 LYS A 35 4.240 2.756 -3.314 1.00 44.11 H new ATOM 0 HD3 LYS A 35 4.674 4.251 -2.510 1.00 44.11 H new ATOM 0 HE2 LYS A 35 2.341 5.136 -3.093 1.00 44.21 H new ATOM 0 HE3 LYS A 35 1.940 3.528 -3.662 1.00 44.21 H new ATOM 0 HZ1 LYS A 35 1.519 2.948 -1.585 1.00 33.23 H new ATOM 0 HZ2 LYS A 35 3.129 3.260 -1.145 1.00 33.23 H new ATOM 0 HZ3 LYS A 35 1.963 4.489 -1.027 1.00 33.23 H new ATOM 491 N GLN A 36 6.297 5.893 -7.351 1.00 33.03 N ATOM 492 CA GLN A 36 6.380 6.342 -8.730 1.00 1.22 C ATOM 493 C GLN A 36 5.088 6.006 -9.477 1.00 35.54 C ATOM 494 O GLN A 36 4.799 4.837 -9.730 1.00 3.41 O ATOM 495 CB GLN A 36 7.595 5.734 -9.433 1.00 35.30 C ATOM 496 CG GLN A 36 8.868 5.949 -8.614 1.00 32.13 C ATOM 497 CD GLN A 36 9.384 7.382 -8.768 1.00 31.45 C ATOM 498 OE1 GLN A 36 10.184 7.690 -9.635 1.00 12.13 O ATOM 499 NE2 GLN A 36 8.883 8.235 -7.879 1.00 61.21 N ATOM 0 H GLN A 36 6.179 4.886 -7.237 1.00 33.03 H new ATOM 0 HA GLN A 36 6.506 7.425 -8.732 1.00 1.22 H new ATOM 0 HB2 GLN A 36 7.434 4.667 -9.587 1.00 35.30 H new ATOM 0 HB3 GLN A 36 7.712 6.185 -10.419 1.00 35.30 H new ATOM 0 HG2 GLN A 36 8.668 5.742 -7.563 1.00 32.13 H new ATOM 0 HG3 GLN A 36 9.636 5.246 -8.937 1.00 32.13 H new ATOM 0 HE21 GLN A 36 8.216 7.909 -7.179 1.00 61.21 H new ATOM 0 HE22 GLN A 36 9.166 9.215 -7.897 1.00 61.21 H new TER 508 GLN A 36 ATOM 509 N ALA B 1 22.230 -1.157 -5.129 1.00 23.34 N ATOM 510 CA ALA B 1 22.612 -2.552 -4.987 1.00 34.54 C ATOM 511 C ALA B 1 23.106 -3.081 -6.335 1.00 3.14 C ATOM 512 O ALA B 1 24.311 -3.208 -6.551 1.00 72.01 O ATOM 513 CB ALA B 1 21.426 -3.354 -4.447 1.00 30.32 C ATOM 0 H1 ALA B 1 21.910 -0.790 -4.210 1.00 23.34 H new ATOM 0 H2 ALA B 1 23.048 -0.605 -5.457 1.00 23.34 H new ATOM 0 H3 ALA B 1 21.458 -1.077 -5.822 1.00 23.34 H new ATOM 0 HA ALA B 1 23.429 -2.655 -4.272 1.00 34.54 H new ATOM 0 HB1 ALA B 1 21.713 -4.400 -4.341 1.00 30.32 H new ATOM 0 HB2 ALA B 1 21.131 -2.958 -3.475 1.00 30.32 H new ATOM 0 HB3 ALA B 1 20.588 -3.276 -5.140 1.00 30.32 H new ATOM 519 N ASN B 2 22.152 -3.375 -7.205 1.00 41.33 N ATOM 520 CA ASN B 2 22.476 -3.887 -8.527 1.00 42.40 C ATOM 521 C ASN B 2 21.201 -4.404 -9.195 1.00 31.53 C ATOM 522 O ASN B 2 20.495 -5.239 -8.632 1.00 23.43 O ATOM 523 CB ASN B 2 23.469 -5.047 -8.439 1.00 73.43 C ATOM 524 CG ASN B 2 23.029 -6.068 -7.387 1.00 51.31 C ATOM 525 OD1 ASN B 2 22.496 -5.731 -6.343 1.00 5.52 O ATOM 526 ND2 ASN B 2 23.281 -7.330 -7.720 1.00 35.14 N ATOM 0 H ASN B 2 21.154 -3.269 -7.021 1.00 41.33 H new ATOM 0 HA ASN B 2 22.920 -3.076 -9.104 1.00 42.40 H new ATOM 0 HB2 ASN B 2 23.552 -5.534 -9.411 1.00 73.43 H new ATOM 0 HB3 ASN B 2 24.459 -4.665 -8.188 1.00 73.43 H new ATOM 0 HD21 ASN B 2 23.025 -8.086 -7.085 1.00 35.14 H new ATOM 0 HD22 ASN B 2 23.730 -7.542 -8.611 1.00 35.14 H new ATOM 533 N GLU B 3 20.944 -3.886 -10.387 1.00 50.32 N ATOM 534 CA GLU B 3 19.767 -4.285 -11.138 1.00 35.23 C ATOM 535 C GLU B 3 19.654 -5.811 -11.179 1.00 61.14 C ATOM 536 O GLU B 3 20.641 -6.515 -10.966 1.00 15.23 O ATOM 537 CB GLU B 3 19.792 -3.700 -12.551 1.00 4.01 C ATOM 538 CG GLU B 3 19.913 -2.175 -12.511 1.00 4.23 C ATOM 539 CD GLU B 3 21.063 -1.693 -13.396 1.00 41.32 C ATOM 540 OE1 GLU B 3 22.099 -2.366 -13.488 1.00 65.35 O ATOM 541 OE2 GLU B 3 20.852 -0.574 -14.004 1.00 11.40 O ATOM 0 H GLU B 3 21.531 -3.193 -10.851 1.00 50.32 H new ATOM 0 HA GLU B 3 18.887 -3.888 -10.632 1.00 35.23 H new ATOM 0 HB2 GLU B 3 20.630 -4.120 -13.108 1.00 4.01 H new ATOM 0 HB3 GLU B 3 18.883 -3.982 -13.082 1.00 4.01 H new ATOM 0 HG2 GLU B 3 18.979 -1.724 -12.845 1.00 4.23 H new ATOM 0 HG3 GLU B 3 20.077 -1.846 -11.485 1.00 4.23 H new ATOM 548 N GLY B 4 18.446 -6.277 -11.454 1.00 54.43 N ATOM 549 CA GLY B 4 18.192 -7.706 -11.526 1.00 0.44 C ATOM 550 C GLY B 4 18.380 -8.364 -10.158 1.00 62.31 C ATOM 551 O GLY B 4 18.937 -9.457 -10.064 1.00 22.44 O ATOM 0 H GLY B 4 17.631 -5.690 -11.630 1.00 54.43 H new ATOM 0 HA2 GLY B 4 17.177 -7.881 -11.882 1.00 0.44 H new ATOM 0 HA3 GLY B 4 18.867 -8.163 -12.250 1.00 0.44 H new ATOM 555 N ASP B 5 17.906 -7.673 -9.133 1.00 10.40 N ATOM 556 CA ASP B 5 18.016 -8.177 -7.774 1.00 21.12 C ATOM 557 C ASP B 5 16.644 -8.113 -7.098 1.00 44.54 C ATOM 558 O ASP B 5 15.742 -7.432 -7.583 1.00 2.41 O ATOM 559 CB ASP B 5 18.990 -7.333 -6.950 1.00 73.24 C ATOM 560 CG ASP B 5 20.406 -7.900 -6.843 1.00 5.53 C ATOM 561 OD1 ASP B 5 20.980 -8.378 -7.834 1.00 1.45 O ATOM 562 OD2 ASP B 5 20.931 -7.836 -5.666 1.00 61.41 O ATOM 0 H ASP B 5 17.444 -6.767 -9.216 1.00 10.40 H new ATOM 0 HA ASP B 5 18.382 -9.203 -7.823 1.00 21.12 H new ATOM 0 HB2 ASP B 5 19.046 -6.337 -7.390 1.00 73.24 H new ATOM 0 HB3 ASP B 5 18.585 -7.216 -5.945 1.00 73.24 H new ATOM 567 N VAL B 6 16.532 -8.830 -5.991 1.00 10.14 N ATOM 568 CA VAL B 6 15.286 -8.863 -5.243 1.00 42.33 C ATOM 569 C VAL B 6 15.586 -8.698 -3.753 1.00 12.45 C ATOM 570 O VAL B 6 16.548 -9.270 -3.242 1.00 0.14 O ATOM 571 CB VAL B 6 14.520 -10.148 -5.560 1.00 74.00 C ATOM 572 CG1 VAL B 6 13.561 -10.509 -4.424 1.00 23.24 C ATOM 573 CG2 VAL B 6 13.772 -10.028 -6.891 1.00 3.35 C ATOM 0 H VAL B 6 17.283 -9.393 -5.593 1.00 10.14 H new ATOM 0 HA VAL B 6 14.641 -8.035 -5.538 1.00 42.33 H new ATOM 0 HB VAL B 6 15.246 -10.955 -5.655 1.00 74.00 H new ATOM 0 HG11 VAL B 6 13.029 -11.427 -4.675 1.00 23.24 H new ATOM 0 HG12 VAL B 6 14.126 -10.657 -3.504 1.00 23.24 H new ATOM 0 HG13 VAL B 6 12.844 -9.701 -4.283 1.00 23.24 H new ATOM 0 HG21 VAL B 6 13.236 -10.956 -7.092 1.00 3.35 H new ATOM 0 HG22 VAL B 6 13.062 -9.203 -6.836 1.00 3.35 H new ATOM 0 HG23 VAL B 6 14.485 -9.840 -7.694 1.00 3.35 H new ATOM 583 N TYR B 7 14.745 -7.913 -3.095 1.00 54.33 N ATOM 584 CA TYR B 7 14.908 -7.665 -1.673 1.00 50.42 C ATOM 585 C TYR B 7 13.641 -8.041 -0.902 1.00 71.31 C ATOM 586 O TYR B 7 12.558 -7.539 -1.199 1.00 20.50 O ATOM 587 CB TYR B 7 15.148 -6.161 -1.532 1.00 4.21 C ATOM 588 CG TYR B 7 16.620 -5.754 -1.628 1.00 44.21 C ATOM 589 CD1 TYR B 7 17.442 -5.869 -0.526 1.00 32.32 C ATOM 590 CD2 TYR B 7 17.127 -5.272 -2.818 1.00 52.52 C ATOM 591 CE1 TYR B 7 18.827 -5.487 -0.617 1.00 3.53 C ATOM 592 CE2 TYR B 7 18.512 -4.889 -2.909 1.00 74.53 C ATOM 593 CZ TYR B 7 19.294 -5.016 -1.804 1.00 20.21 C ATOM 594 OH TYR B 7 20.603 -4.654 -1.890 1.00 32.34 O ATOM 0 H TYR B 7 13.948 -7.440 -3.521 1.00 54.33 H new ATOM 0 HA TYR B 7 15.729 -8.259 -1.272 1.00 50.42 H new ATOM 0 HB2 TYR B 7 14.586 -5.640 -2.307 1.00 4.21 H new ATOM 0 HB3 TYR B 7 14.752 -5.829 -0.573 1.00 4.21 H new ATOM 0 HD1 TYR B 7 17.046 -6.246 0.406 1.00 32.32 H new ATOM 0 HD2 TYR B 7 16.484 -5.182 -3.681 1.00 52.52 H new ATOM 0 HE1 TYR B 7 19.481 -5.573 0.239 1.00 3.53 H new ATOM 0 HE2 TYR B 7 18.920 -4.509 -3.834 1.00 74.53 H new ATOM 0 HH TYR B 7 21.093 -5.012 -1.120 1.00 32.34 H new ATOM 604 N LYS B 8 13.819 -8.921 0.072 1.00 62.01 N ATOM 605 CA LYS B 8 12.704 -9.370 0.888 1.00 54.21 C ATOM 606 C LYS B 8 12.963 -8.998 2.349 1.00 64.20 C ATOM 607 O LYS B 8 14.060 -9.216 2.863 1.00 31.23 O ATOM 608 CB LYS B 8 12.447 -10.863 0.669 1.00 42.32 C ATOM 609 CG LYS B 8 11.351 -11.373 1.606 1.00 72.14 C ATOM 610 CD LYS B 8 11.946 -12.189 2.755 1.00 75.32 C ATOM 611 CE LYS B 8 11.869 -13.688 2.459 1.00 70.30 C ATOM 612 NZ LYS B 8 12.451 -14.467 3.575 1.00 72.42 N ATOM 0 H LYS B 8 14.719 -9.335 0.315 1.00 62.01 H new ATOM 0 HA LYS B 8 11.786 -8.865 0.589 1.00 54.21 H new ATOM 0 HB2 LYS B 8 12.155 -11.038 -0.367 1.00 42.32 H new ATOM 0 HB3 LYS B 8 13.366 -11.423 0.840 1.00 42.32 H new ATOM 0 HG2 LYS B 8 10.790 -10.529 2.007 1.00 72.14 H new ATOM 0 HG3 LYS B 8 10.646 -11.988 1.046 1.00 72.14 H new ATOM 0 HD2 LYS B 8 12.985 -11.899 2.913 1.00 75.32 H new ATOM 0 HD3 LYS B 8 11.410 -11.969 3.678 1.00 75.32 H new ATOM 0 HE2 LYS B 8 10.831 -13.982 2.305 1.00 70.30 H new ATOM 0 HE3 LYS B 8 12.403 -13.910 1.535 1.00 70.30 H new ATOM 0 HZ1 LYS B 8 12.391 -15.482 3.358 1.00 72.42 H new ATOM 0 HZ2 LYS B 8 13.448 -14.199 3.703 1.00 72.42 H new ATOM 0 HZ3 LYS B 8 11.924 -14.268 4.449 1.00 72.42 H new ATOM 625 N CYS B 9 11.937 -8.444 2.977 1.00 2.42 N ATOM 626 CA CYS B 9 12.041 -8.039 4.369 1.00 72.11 C ATOM 627 C CYS B 9 11.936 -9.291 5.242 1.00 72.00 C ATOM 628 O CYS B 9 11.167 -10.202 4.937 1.00 14.14 O ATOM 629 CB CYS B 9 10.983 -6.997 4.735 1.00 41.30 C ATOM 630 SG CYS B 9 11.083 -6.373 6.455 1.00 41.34 S ATOM 0 H CYS B 9 11.029 -8.266 2.548 1.00 2.42 H new ATOM 0 HA CYS B 9 13.004 -7.558 4.540 1.00 72.11 H new ATOM 0 HB2 CYS B 9 11.073 -6.153 4.051 1.00 41.30 H new ATOM 0 HB3 CYS B 9 9.996 -7.431 4.578 1.00 41.30 H new ATOM 635 N GLU B 10 12.720 -9.297 6.309 1.00 32.24 N ATOM 636 CA GLU B 10 12.724 -10.422 7.229 1.00 60.25 C ATOM 637 C GLU B 10 11.742 -10.175 8.375 1.00 52.12 C ATOM 638 O GLU B 10 11.974 -10.611 9.502 1.00 62.25 O ATOM 639 CB GLU B 10 14.133 -10.689 7.762 1.00 25.05 C ATOM 640 CG GLU B 10 14.919 -11.591 6.808 1.00 42.15 C ATOM 641 CD GLU B 10 15.226 -12.942 7.457 1.00 33.32 C ATOM 642 OE1 GLU B 10 14.441 -13.422 8.290 1.00 43.24 O ATOM 643 OE2 GLU B 10 16.323 -13.497 7.069 1.00 72.32 O ATOM 0 H GLU B 10 13.357 -8.541 6.558 1.00 32.24 H new ATOM 0 HA GLU B 10 12.402 -11.311 6.686 1.00 60.25 H new ATOM 0 HB2 GLU B 10 14.661 -9.744 7.893 1.00 25.05 H new ATOM 0 HB3 GLU B 10 14.071 -11.158 8.744 1.00 25.05 H new ATOM 0 HG2 GLU B 10 14.347 -11.745 5.893 1.00 42.15 H new ATOM 0 HG3 GLU B 10 15.850 -11.101 6.523 1.00 42.15 H new ATOM 650 N LEU B 11 10.664 -9.477 8.048 1.00 5.22 N ATOM 651 CA LEU B 11 9.646 -9.166 9.037 1.00 31.24 C ATOM 652 C LEU B 11 8.266 -9.241 8.381 1.00 34.34 C ATOM 653 O LEU B 11 7.564 -10.242 8.516 1.00 24.54 O ATOM 654 CB LEU B 11 9.938 -7.820 9.702 1.00 13.33 C ATOM 655 CG LEU B 11 8.897 -7.331 10.712 1.00 1.05 C ATOM 656 CD1 LEU B 11 8.417 -8.478 11.604 1.00 60.31 C ATOM 657 CD2 LEU B 11 9.437 -6.157 11.531 1.00 22.30 C ATOM 0 H LEU B 11 10.474 -9.118 7.112 1.00 5.22 H new ATOM 0 HA LEU B 11 9.659 -9.902 9.841 1.00 31.24 H new ATOM 0 HB2 LEU B 11 10.901 -7.888 10.207 1.00 13.33 H new ATOM 0 HB3 LEU B 11 10.040 -7.066 8.921 1.00 13.33 H new ATOM 0 HG LEU B 11 8.030 -6.968 10.160 1.00 1.05 H new ATOM 0 HD11 LEU B 11 7.678 -8.103 12.312 1.00 60.31 H new ATOM 0 HD12 LEU B 11 7.966 -9.255 10.987 1.00 60.31 H new ATOM 0 HD13 LEU B 11 9.264 -8.894 12.149 1.00 60.31 H new ATOM 0 HD21 LEU B 11 8.678 -5.829 12.241 1.00 22.30 H new ATOM 0 HD22 LEU B 11 10.329 -6.471 12.073 1.00 22.30 H new ATOM 0 HD23 LEU B 11 9.690 -5.333 10.863 1.00 22.30 H new ATOM 669 N CYS B 12 7.917 -8.169 7.685 1.00 64.20 N ATOM 670 CA CYS B 12 6.634 -8.102 7.008 1.00 54.44 C ATOM 671 C CYS B 12 6.638 -9.120 5.866 1.00 41.02 C ATOM 672 O CYS B 12 5.642 -9.804 5.635 1.00 12.15 O ATOM 673 CB CYS B 12 6.331 -6.687 6.509 1.00 1.23 C ATOM 674 SG CYS B 12 7.624 -5.957 5.441 1.00 43.44 S ATOM 0 H CYS B 12 8.501 -7.340 7.576 1.00 64.20 H new ATOM 0 HA CYS B 12 5.837 -8.348 7.710 1.00 54.44 H new ATOM 0 HB2 CYS B 12 5.391 -6.705 5.957 1.00 1.23 H new ATOM 0 HB3 CYS B 12 6.182 -6.037 7.371 1.00 1.23 H new ATOM 679 N GLY B 13 7.770 -9.189 5.182 1.00 1.21 N ATOM 680 CA GLY B 13 7.917 -10.112 4.070 1.00 40.34 C ATOM 681 C GLY B 13 7.702 -9.400 2.733 1.00 42.11 C ATOM 682 O GLY B 13 7.234 -10.006 1.771 1.00 71.12 O ATOM 0 H GLY B 13 8.594 -8.621 5.376 1.00 1.21 H new ATOM 0 HA2 GLY B 13 8.911 -10.558 4.092 1.00 40.34 H new ATOM 0 HA3 GLY B 13 7.200 -10.926 4.172 1.00 40.34 H new ATOM 686 N GLN B 14 8.055 -8.123 2.716 1.00 23.24 N ATOM 687 CA GLN B 14 7.907 -7.321 1.513 1.00 70.23 C ATOM 688 C GLN B 14 9.027 -7.641 0.521 1.00 53.34 C ATOM 689 O GLN B 14 10.202 -7.440 0.820 1.00 63.02 O ATOM 690 CB GLN B 14 7.882 -5.829 1.849 1.00 70.33 C ATOM 691 CG GLN B 14 7.827 -4.982 0.575 1.00 4.44 C ATOM 692 CD GLN B 14 7.254 -3.592 0.866 1.00 70.35 C ATOM 693 OE1 GLN B 14 6.364 -3.107 0.188 1.00 13.25 O ATOM 694 NE2 GLN B 14 7.813 -2.984 1.908 1.00 14.42 N ATOM 0 H GLN B 14 8.443 -7.624 3.516 1.00 23.24 H new ATOM 0 HA GLN B 14 6.954 -7.571 1.048 1.00 70.23 H new ATOM 0 HB2 GLN B 14 7.018 -5.608 2.475 1.00 70.33 H new ATOM 0 HB3 GLN B 14 8.769 -5.567 2.426 1.00 70.33 H new ATOM 0 HG2 GLN B 14 8.828 -4.886 0.154 1.00 4.44 H new ATOM 0 HG3 GLN B 14 7.213 -5.483 -0.173 1.00 4.44 H new ATOM 0 HE21 GLN B 14 8.555 -3.449 2.432 1.00 14.42 H new ATOM 0 HE22 GLN B 14 7.500 -2.053 2.183 1.00 14.42 H new ATOM 703 N VAL B 15 8.622 -8.135 -0.640 1.00 55.33 N ATOM 704 CA VAL B 15 9.576 -8.484 -1.678 1.00 60.42 C ATOM 705 C VAL B 15 9.460 -7.483 -2.830 1.00 22.22 C ATOM 706 O VAL B 15 8.378 -7.288 -3.381 1.00 30.21 O ATOM 707 CB VAL B 15 9.360 -9.933 -2.122 1.00 35.54 C ATOM 708 CG1 VAL B 15 10.421 -10.361 -3.137 1.00 14.40 C ATOM 709 CG2 VAL B 15 9.340 -10.877 -0.918 1.00 64.43 C ATOM 0 H VAL B 15 7.646 -8.302 -0.884 1.00 55.33 H new ATOM 0 HA VAL B 15 10.595 -8.423 -1.296 1.00 60.42 H new ATOM 0 HB VAL B 15 8.388 -9.992 -2.611 1.00 35.54 H new ATOM 0 HG11 VAL B 15 10.243 -11.394 -3.435 1.00 14.40 H new ATOM 0 HG12 VAL B 15 10.367 -9.716 -4.014 1.00 14.40 H new ATOM 0 HG13 VAL B 15 11.410 -10.278 -2.686 1.00 14.40 H new ATOM 0 HG21 VAL B 15 9.185 -11.900 -1.260 1.00 64.43 H new ATOM 0 HG22 VAL B 15 10.290 -10.812 -0.388 1.00 64.43 H new ATOM 0 HG23 VAL B 15 8.530 -10.593 -0.246 1.00 64.43 H new ATOM 719 N VAL B 16 10.590 -6.876 -3.159 1.00 2.42 N ATOM 720 CA VAL B 16 10.630 -5.900 -4.235 1.00 12.43 C ATOM 721 C VAL B 16 11.838 -6.182 -5.130 1.00 71.24 C ATOM 722 O VAL B 16 12.924 -6.481 -4.637 1.00 5.53 O ATOM 723 CB VAL B 16 10.632 -4.483 -3.657 1.00 20.52 C ATOM 724 CG1 VAL B 16 9.579 -4.338 -2.556 1.00 30.32 C ATOM 725 CG2 VAL B 16 12.022 -4.105 -3.139 1.00 33.43 C ATOM 0 H VAL B 16 11.486 -7.041 -2.699 1.00 2.42 H new ATOM 0 HA VAL B 16 9.739 -5.982 -4.857 1.00 12.43 H new ATOM 0 HB VAL B 16 10.374 -3.793 -4.460 1.00 20.52 H new ATOM 0 HG11 VAL B 16 9.602 -3.322 -2.162 1.00 30.32 H new ATOM 0 HG12 VAL B 16 8.591 -4.546 -2.968 1.00 30.32 H new ATOM 0 HG13 VAL B 16 9.793 -5.043 -1.753 1.00 30.32 H new ATOM 0 HG21 VAL B 16 11.997 -3.094 -2.734 1.00 33.43 H new ATOM 0 HG22 VAL B 16 12.321 -4.802 -2.356 1.00 33.43 H new ATOM 0 HG23 VAL B 16 12.740 -4.150 -3.958 1.00 33.43 H new ATOM 735 N LYS B 17 11.608 -6.078 -6.430 1.00 73.45 N ATOM 736 CA LYS B 17 12.664 -6.319 -7.400 1.00 15.44 C ATOM 737 C LYS B 17 13.293 -4.983 -7.804 1.00 31.14 C ATOM 738 O LYS B 17 12.605 -4.094 -8.301 1.00 15.43 O ATOM 739 CB LYS B 17 12.131 -7.130 -8.582 1.00 32.15 C ATOM 740 CG LYS B 17 13.224 -7.355 -9.629 1.00 42.12 C ATOM 741 CD LYS B 17 13.231 -6.229 -10.664 1.00 11.40 C ATOM 742 CE LYS B 17 14.339 -6.441 -11.698 1.00 25.11 C ATOM 743 NZ LYS B 17 14.111 -5.588 -12.885 1.00 41.31 N ATOM 0 H LYS B 17 10.705 -5.830 -6.835 1.00 73.45 H new ATOM 0 HA LYS B 17 13.456 -6.925 -6.959 1.00 15.44 H new ATOM 0 HB2 LYS B 17 11.757 -8.091 -8.229 1.00 32.15 H new ATOM 0 HB3 LYS B 17 11.289 -6.607 -9.036 1.00 32.15 H new ATOM 0 HG2 LYS B 17 14.196 -7.410 -9.139 1.00 42.12 H new ATOM 0 HG3 LYS B 17 13.064 -8.311 -10.127 1.00 42.12 H new ATOM 0 HD2 LYS B 17 12.264 -6.185 -11.166 1.00 11.40 H new ATOM 0 HD3 LYS B 17 13.374 -5.271 -10.164 1.00 11.40 H new ATOM 0 HE2 LYS B 17 15.307 -6.207 -11.255 1.00 25.11 H new ATOM 0 HE3 LYS B 17 14.370 -7.489 -11.997 1.00 25.11 H new ATOM 0 HZ1 LYS B 17 14.721 -5.907 -13.664 1.00 41.31 H new ATOM 0 HZ2 LYS B 17 13.115 -5.656 -13.175 1.00 41.31 H new ATOM 0 HZ3 LYS B 17 14.337 -4.600 -12.651 1.00 41.31 H new ATOM 756 N VAL B 18 14.595 -4.886 -7.574 1.00 14.21 N ATOM 757 CA VAL B 18 15.324 -3.674 -7.908 1.00 70.20 C ATOM 758 C VAL B 18 15.367 -3.513 -9.428 1.00 63.43 C ATOM 759 O VAL B 18 15.863 -4.390 -10.135 1.00 42.44 O ATOM 760 CB VAL B 18 16.714 -3.709 -7.270 1.00 54.43 C ATOM 761 CG1 VAL B 18 17.558 -2.518 -7.730 1.00 15.14 C ATOM 762 CG2 VAL B 18 16.616 -3.753 -5.744 1.00 21.40 C ATOM 0 H VAL B 18 15.163 -5.626 -7.161 1.00 14.21 H new ATOM 0 HA VAL B 18 14.817 -2.798 -7.503 1.00 70.20 H new ATOM 0 HB VAL B 18 17.211 -4.621 -7.601 1.00 54.43 H new ATOM 0 HG11 VAL B 18 18.541 -2.566 -7.262 1.00 15.14 H new ATOM 0 HG12 VAL B 18 17.670 -2.548 -8.814 1.00 15.14 H new ATOM 0 HG13 VAL B 18 17.065 -1.590 -7.442 1.00 15.14 H new ATOM 0 HG21 VAL B 18 17.618 -3.777 -5.316 1.00 21.40 H new ATOM 0 HG22 VAL B 18 16.090 -2.867 -5.387 1.00 21.40 H new ATOM 0 HG23 VAL B 18 16.070 -4.646 -5.440 1.00 21.40 H new ATOM 772 N LEU B 19 14.842 -2.387 -9.887 1.00 74.12 N ATOM 773 CA LEU B 19 14.815 -2.099 -11.312 1.00 74.33 C ATOM 774 C LEU B 19 16.052 -1.282 -11.687 1.00 11.21 C ATOM 775 O LEU B 19 16.798 -1.657 -12.590 1.00 2.54 O ATOM 776 CB LEU B 19 13.494 -1.430 -11.698 1.00 64.14 C ATOM 777 CG LEU B 19 12.230 -2.266 -11.487 1.00 3.13 C ATOM 778 CD1 LEU B 19 11.053 -1.383 -11.069 1.00 72.12 C ATOM 779 CD2 LEU B 19 11.910 -3.100 -12.729 1.00 13.14 C ATOM 0 H LEU B 19 14.432 -1.663 -9.298 1.00 74.12 H new ATOM 0 HA LEU B 19 14.858 -3.023 -11.889 1.00 74.33 H new ATOM 0 HB2 LEU B 19 13.396 -0.508 -11.124 1.00 64.14 H new ATOM 0 HB3 LEU B 19 13.547 -1.147 -12.749 1.00 64.14 H new ATOM 0 HG LEU B 19 12.414 -2.964 -10.671 1.00 3.13 H new ATOM 0 HD11 LEU B 19 10.167 -2.002 -10.925 1.00 72.12 H new ATOM 0 HD12 LEU B 19 11.294 -0.873 -10.137 1.00 72.12 H new ATOM 0 HD13 LEU B 19 10.858 -0.645 -11.847 1.00 72.12 H new ATOM 0 HD21 LEU B 19 11.007 -3.685 -12.552 1.00 13.14 H new ATOM 0 HD22 LEU B 19 11.753 -2.438 -13.581 1.00 13.14 H new ATOM 0 HD23 LEU B 19 12.742 -3.772 -12.940 1.00 13.14 H new ATOM 791 N GLU B 20 16.231 -0.179 -10.974 1.00 62.31 N ATOM 792 CA GLU B 20 17.366 0.694 -11.221 1.00 13.44 C ATOM 793 C GLU B 20 18.183 0.878 -9.940 1.00 30.13 C ATOM 794 O GLU B 20 17.689 1.429 -8.958 1.00 3.32 O ATOM 795 CB GLU B 20 16.906 2.045 -11.776 1.00 64.42 C ATOM 796 CG GLU B 20 18.073 2.797 -12.421 1.00 32.31 C ATOM 797 CD GLU B 20 17.601 3.606 -13.631 1.00 73.30 C ATOM 798 OE1 GLU B 20 17.006 4.681 -13.464 1.00 74.10 O ATOM 799 OE2 GLU B 20 17.874 3.081 -14.777 1.00 51.32 O ATOM 0 H GLU B 20 15.610 0.130 -10.226 1.00 62.31 H new ATOM 0 HA GLU B 20 18.004 0.226 -11.971 1.00 13.44 H new ATOM 0 HB2 GLU B 20 16.117 1.891 -12.512 1.00 64.42 H new ATOM 0 HB3 GLU B 20 16.480 2.647 -10.973 1.00 64.42 H new ATOM 0 HG2 GLU B 20 18.530 3.463 -11.689 1.00 32.31 H new ATOM 0 HG3 GLU B 20 18.841 2.088 -12.730 1.00 32.31 H new ATOM 806 N GLU B 21 19.419 0.405 -9.992 1.00 74.51 N ATOM 807 CA GLU B 21 20.310 0.510 -8.849 1.00 75.41 C ATOM 808 C GLU B 21 20.602 1.979 -8.536 1.00 74.41 C ATOM 809 O GLU B 21 20.516 2.832 -9.417 1.00 4.51 O ATOM 810 CB GLU B 21 21.605 -0.268 -9.089 1.00 72.34 C ATOM 811 CG GLU B 21 22.702 0.182 -8.123 1.00 41.24 C ATOM 812 CD GLU B 21 24.012 -0.562 -8.396 1.00 14.15 C ATOM 813 OE1 GLU B 21 24.138 -1.238 -9.428 1.00 11.15 O ATOM 814 OE2 GLU B 21 24.917 -0.420 -7.488 1.00 45.51 O ATOM 0 H GLU B 21 19.825 -0.052 -10.808 1.00 74.51 H new ATOM 0 HA GLU B 21 19.814 0.067 -7.985 1.00 75.41 H new ATOM 0 HB2 GLU B 21 21.421 -1.335 -8.964 1.00 72.34 H new ATOM 0 HB3 GLU B 21 21.937 -0.120 -10.117 1.00 72.34 H new ATOM 0 HG2 GLU B 21 22.862 1.256 -8.223 1.00 41.24 H new ATOM 0 HG3 GLU B 21 22.384 0.001 -7.096 1.00 41.24 H new ATOM 821 N GLY B 22 20.940 2.226 -7.280 1.00 13.43 N ATOM 822 CA GLY B 22 21.245 3.578 -6.840 1.00 21.31 C ATOM 823 C GLY B 22 22.549 3.612 -6.040 1.00 51.10 C ATOM 824 O GLY B 22 23.634 3.648 -6.617 1.00 64.40 O ATOM 0 H GLY B 22 21.010 1.514 -6.553 1.00 13.43 H new ATOM 0 HA2 GLY B 22 21.327 4.236 -7.705 1.00 21.31 H new ATOM 0 HA3 GLY B 22 20.428 3.958 -6.227 1.00 21.31 H new ATOM 828 N GLY B 23 22.399 3.601 -4.724 1.00 35.52 N ATOM 829 CA GLY B 23 23.551 3.630 -3.839 1.00 20.34 C ATOM 830 C GLY B 23 23.116 3.715 -2.374 1.00 71.22 C ATOM 831 O GLY B 23 23.648 4.518 -1.610 1.00 21.44 O ATOM 0 H GLY B 23 21.497 3.572 -4.249 1.00 35.52 H new ATOM 0 HA2 GLY B 23 24.154 2.735 -3.992 1.00 20.34 H new ATOM 0 HA3 GLY B 23 24.181 4.484 -4.085 1.00 20.34 H new ATOM 835 N GLY B 24 22.151 2.875 -2.027 1.00 50.23 N ATOM 836 CA GLY B 24 21.638 2.844 -0.668 1.00 53.32 C ATOM 837 C GLY B 24 21.035 1.477 -0.340 1.00 2.30 C ATOM 838 O GLY B 24 21.269 0.504 -1.055 1.00 32.25 O ATOM 0 H GLY B 24 21.711 2.211 -2.664 1.00 50.23 H new ATOM 0 HA2 GLY B 24 22.442 3.068 0.033 1.00 53.32 H new ATOM 0 HA3 GLY B 24 20.881 3.618 -0.544 1.00 53.32 H new ATOM 842 N THR B 25 20.270 1.448 0.741 1.00 31.35 N ATOM 843 CA THR B 25 19.633 0.216 1.173 1.00 34.25 C ATOM 844 C THR B 25 18.137 0.443 1.406 1.00 23.14 C ATOM 845 O THR B 25 17.686 1.583 1.497 1.00 2.21 O ATOM 846 CB THR B 25 20.370 -0.289 2.414 1.00 25.53 C ATOM 847 OG1 THR B 25 21.293 -1.248 1.903 1.00 32.24 O ATOM 848 CG2 THR B 25 19.467 -1.102 3.344 1.00 52.14 C ATOM 0 H THR B 25 20.077 2.258 1.330 1.00 31.35 H new ATOM 0 HA THR B 25 19.698 -0.553 0.404 1.00 34.25 H new ATOM 0 HB THR B 25 20.782 0.559 2.960 1.00 25.53 H new ATOM 0 HG1 THR B 25 21.815 -1.626 2.642 1.00 32.24 H new ATOM 0 HG21 THR B 25 20.041 -1.436 4.208 1.00 52.14 H new ATOM 0 HG22 THR B 25 18.636 -0.481 3.678 1.00 52.14 H new ATOM 0 HG23 THR B 25 19.080 -1.969 2.809 1.00 52.14 H new ATOM 856 N LEU B 26 17.411 -0.661 1.497 1.00 35.13 N ATOM 857 CA LEU B 26 15.976 -0.597 1.718 1.00 31.33 C ATOM 858 C LEU B 26 15.669 -0.988 3.165 1.00 42.32 C ATOM 859 O LEU B 26 15.251 -2.113 3.433 1.00 62.22 O ATOM 860 CB LEU B 26 15.236 -1.446 0.682 1.00 13.12 C ATOM 861 CG LEU B 26 15.750 -1.348 -0.756 1.00 20.22 C ATOM 862 CD1 LEU B 26 15.304 -2.557 -1.581 1.00 5.04 C ATOM 863 CD2 LEU B 26 15.327 -0.027 -1.401 1.00 73.12 C ATOM 0 H LEU B 26 17.789 -1.605 1.422 1.00 35.13 H new ATOM 0 HA LEU B 26 15.614 0.422 1.579 1.00 31.33 H new ATOM 0 HB2 LEU B 26 15.285 -2.489 0.994 1.00 13.12 H new ATOM 0 HB3 LEU B 26 14.184 -1.160 0.691 1.00 13.12 H new ATOM 0 HG LEU B 26 16.840 -1.359 -0.731 1.00 20.22 H new ATOM 0 HD11 LEU B 26 15.682 -2.463 -2.599 1.00 5.04 H new ATOM 0 HD12 LEU B 26 15.696 -3.469 -1.131 1.00 5.04 H new ATOM 0 HD13 LEU B 26 14.215 -2.602 -1.602 1.00 5.04 H new ATOM 0 HD21 LEU B 26 15.705 0.017 -2.422 1.00 73.12 H new ATOM 0 HD22 LEU B 26 14.239 0.040 -1.414 1.00 73.12 H new ATOM 0 HD23 LEU B 26 15.735 0.805 -0.827 1.00 73.12 H new ATOM 875 N VAL B 27 15.889 -0.036 4.061 1.00 74.23 N ATOM 876 CA VAL B 27 15.641 -0.266 5.474 1.00 74.15 C ATOM 877 C VAL B 27 14.132 -0.345 5.716 1.00 61.23 C ATOM 878 O VAL B 27 13.444 0.674 5.709 1.00 44.12 O ATOM 879 CB VAL B 27 16.324 0.818 6.308 1.00 21.14 C ATOM 880 CG1 VAL B 27 16.015 0.642 7.796 1.00 33.12 C ATOM 881 CG2 VAL B 27 17.834 0.831 6.060 1.00 25.43 C ATOM 0 H VAL B 27 16.236 0.896 3.835 1.00 74.23 H new ATOM 0 HA VAL B 27 16.071 -1.217 5.788 1.00 74.15 H new ATOM 0 HB VAL B 27 15.924 1.782 5.995 1.00 21.14 H new ATOM 0 HG11 VAL B 27 16.513 1.426 8.366 1.00 33.12 H new ATOM 0 HG12 VAL B 27 14.938 0.706 7.954 1.00 33.12 H new ATOM 0 HG13 VAL B 27 16.373 -0.332 8.129 1.00 33.12 H new ATOM 0 HG21 VAL B 27 18.295 1.611 6.665 1.00 25.43 H new ATOM 0 HG22 VAL B 27 18.256 -0.137 6.332 1.00 25.43 H new ATOM 0 HG23 VAL B 27 18.028 1.028 5.006 1.00 25.43 H new ATOM 891 N CYS B 28 13.661 -1.566 5.925 1.00 61.15 N ATOM 892 CA CYS B 28 12.247 -1.791 6.169 1.00 61.54 C ATOM 893 C CYS B 28 12.090 -2.384 7.571 1.00 64.51 C ATOM 894 O CYS B 28 12.832 -3.288 7.953 1.00 61.41 O ATOM 895 CB CYS B 28 11.623 -2.687 5.097 1.00 21.13 C ATOM 896 SG CYS B 28 9.794 -2.728 5.100 1.00 20.00 S ATOM 0 H CYS B 28 14.234 -2.410 5.930 1.00 61.15 H new ATOM 0 HA CYS B 28 11.711 -0.844 6.114 1.00 61.54 H new ATOM 0 HB2 CYS B 28 11.963 -2.349 4.118 1.00 21.13 H new ATOM 0 HB3 CYS B 28 11.995 -3.703 5.231 1.00 21.13 H new ATOM 901 N CYS B 29 11.119 -1.852 8.299 1.00 65.30 N ATOM 902 CA CYS B 29 10.856 -2.317 9.649 1.00 21.24 C ATOM 903 C CYS B 29 12.118 -2.102 10.487 1.00 42.13 C ATOM 904 O CYS B 29 12.430 -2.906 11.364 1.00 22.10 O ATOM 905 CB CYS B 29 10.403 -3.779 9.666 1.00 53.41 C ATOM 906 SG CYS B 29 8.755 -4.080 8.928 1.00 1.42 S ATOM 0 H CYS B 29 10.505 -1.103 7.979 1.00 65.30 H new ATOM 0 HA CYS B 29 10.034 -1.745 10.079 1.00 21.24 H new ATOM 0 HB2 CYS B 29 11.140 -4.379 9.132 1.00 53.41 H new ATOM 0 HB3 CYS B 29 10.393 -4.130 10.698 1.00 53.41 H new ATOM 911 N GLY B 30 12.809 -1.012 10.187 1.00 62.00 N ATOM 912 CA GLY B 30 14.031 -0.681 10.901 1.00 60.03 C ATOM 913 C GLY B 30 15.094 -1.764 10.702 1.00 53.11 C ATOM 914 O GLY B 30 16.017 -1.887 11.504 1.00 22.44 O ATOM 0 H GLY B 30 12.546 -0.347 9.460 1.00 62.00 H new ATOM 0 HA2 GLY B 30 14.413 0.277 10.550 1.00 60.03 H new ATOM 0 HA3 GLY B 30 13.816 -0.568 11.964 1.00 60.03 H new ATOM 918 N GLU B 31 14.928 -2.520 9.626 1.00 0.33 N ATOM 919 CA GLU B 31 15.861 -3.588 9.311 1.00 52.13 C ATOM 920 C GLU B 31 16.178 -3.590 7.814 1.00 20.21 C ATOM 921 O GLU B 31 15.272 -3.649 6.984 1.00 32.01 O ATOM 922 CB GLU B 31 15.313 -4.945 9.758 1.00 43.12 C ATOM 923 CG GLU B 31 16.427 -5.992 9.817 1.00 34.31 C ATOM 924 CD GLU B 31 15.865 -7.401 9.609 1.00 22.34 C ATOM 925 OE1 GLU B 31 15.312 -7.992 10.549 1.00 71.33 O ATOM 926 OE2 GLU B 31 16.019 -7.879 8.421 1.00 31.44 O ATOM 0 H GLU B 31 14.161 -2.414 8.962 1.00 0.33 H new ATOM 0 HA GLU B 31 16.786 -3.410 9.859 1.00 52.13 H new ATOM 0 HB2 GLU B 31 14.847 -4.848 10.739 1.00 43.12 H new ATOM 0 HB3 GLU B 31 14.536 -5.273 9.067 1.00 43.12 H new ATOM 0 HG2 GLU B 31 17.174 -5.778 9.052 1.00 34.31 H new ATOM 0 HG3 GLU B 31 16.933 -5.937 10.781 1.00 34.31 H new ATOM 933 N ASP B 32 17.467 -3.527 7.515 1.00 73.44 N ATOM 934 CA ASP B 32 17.915 -3.522 6.132 1.00 3.14 C ATOM 935 C ASP B 32 17.436 -4.799 5.441 1.00 21.40 C ATOM 936 O ASP B 32 17.849 -5.899 5.806 1.00 31.41 O ATOM 937 CB ASP B 32 19.442 -3.483 6.048 1.00 11.41 C ATOM 938 CG ASP B 32 20.052 -4.365 4.958 1.00 4.42 C ATOM 939 OD1 ASP B 32 20.309 -5.559 5.172 1.00 73.21 O ATOM 940 OD2 ASP B 32 20.268 -3.771 3.833 1.00 25.03 O ATOM 0 H ASP B 32 18.216 -3.479 8.206 1.00 73.44 H new ATOM 0 HA ASP B 32 17.505 -2.636 5.648 1.00 3.14 H new ATOM 0 HB2 ASP B 32 19.755 -2.453 5.878 1.00 11.41 H new ATOM 0 HB3 ASP B 32 19.852 -3.786 7.011 1.00 11.41 H new ATOM 945 N MET B 33 16.571 -4.613 4.454 1.00 5.03 N ATOM 946 CA MET B 33 16.032 -5.737 3.709 1.00 34.10 C ATOM 947 C MET B 33 17.150 -6.675 3.246 1.00 13.13 C ATOM 948 O MET B 33 18.282 -6.242 3.038 1.00 15.30 O ATOM 949 CB MET B 33 15.263 -5.220 2.491 1.00 22.23 C ATOM 950 CG MET B 33 14.079 -6.132 2.164 1.00 1.01 C ATOM 951 SD MET B 33 12.563 -5.188 2.164 1.00 62.22 S ATOM 952 CE MET B 33 12.453 -4.779 0.430 1.00 23.11 C ATOM 0 H MET B 33 16.230 -3.700 4.153 1.00 5.03 H new ATOM 0 HA MET B 33 15.362 -6.295 4.363 1.00 34.10 H new ATOM 0 HB2 MET B 33 14.905 -4.209 2.684 1.00 22.23 H new ATOM 0 HB3 MET B 33 15.931 -5.163 1.632 1.00 22.23 H new ATOM 0 HG2 MET B 33 14.227 -6.598 1.190 1.00 1.01 H new ATOM 0 HG3 MET B 33 14.016 -6.937 2.896 1.00 1.01 H new ATOM 0 HE1 MET B 33 11.452 -4.409 0.206 1.00 23.11 H new ATOM 0 HE2 MET B 33 13.187 -4.009 0.190 1.00 23.11 H new ATOM 0 HE3 MET B 33 12.653 -5.669 -0.167 1.00 23.11 H new ATOM 962 N VAL B 34 16.792 -7.942 3.100 1.00 34.10 N ATOM 963 CA VAL B 34 17.749 -8.945 2.667 1.00 3.21 C ATOM 964 C VAL B 34 17.570 -9.202 1.169 1.00 1.44 C ATOM 965 O VAL B 34 16.527 -8.880 0.601 1.00 33.24 O ATOM 966 CB VAL B 34 17.601 -10.212 3.512 1.00 15.33 C ATOM 967 CG1 VAL B 34 17.296 -9.864 4.971 1.00 3.51 C ATOM 968 CG2 VAL B 34 16.525 -11.134 2.933 1.00 4.11 C ATOM 0 H VAL B 34 15.852 -8.297 3.274 1.00 34.10 H new ATOM 0 HA VAL B 34 18.768 -8.588 2.817 1.00 3.21 H new ATOM 0 HB VAL B 34 18.551 -10.746 3.485 1.00 15.33 H new ATOM 0 HG11 VAL B 34 17.195 -10.782 5.551 1.00 3.51 H new ATOM 0 HG12 VAL B 34 18.109 -9.264 5.380 1.00 3.51 H new ATOM 0 HG13 VAL B 34 16.366 -9.298 5.023 1.00 3.51 H new ATOM 0 HG21 VAL B 34 16.440 -12.027 3.552 1.00 4.11 H new ATOM 0 HG22 VAL B 34 15.569 -10.611 2.916 1.00 4.11 H new ATOM 0 HG23 VAL B 34 16.800 -11.421 1.918 1.00 4.11 H new ATOM 978 N LYS B 35 18.603 -9.778 0.572 1.00 43.34 N ATOM 979 CA LYS B 35 18.573 -10.080 -0.849 1.00 14.42 C ATOM 980 C LYS B 35 18.158 -11.540 -1.045 1.00 45.22 C ATOM 981 O LYS B 35 18.416 -12.384 -0.188 1.00 3.21 O ATOM 982 CB LYS B 35 19.911 -9.728 -1.500 1.00 45.45 C ATOM 983 CG LYS B 35 19.704 -8.861 -2.744 1.00 60.24 C ATOM 984 CD LYS B 35 20.434 -7.523 -2.608 1.00 62.23 C ATOM 985 CE LYS B 35 21.917 -7.671 -2.958 1.00 54.40 C ATOM 986 NZ LYS B 35 22.353 -6.564 -3.840 1.00 34.04 N ATOM 0 H LYS B 35 19.466 -10.044 1.046 1.00 43.34 H new ATOM 0 HA LYS B 35 17.829 -9.465 -1.355 1.00 14.42 H new ATOM 0 HB2 LYS B 35 20.540 -9.199 -0.784 1.00 45.45 H new ATOM 0 HB3 LYS B 35 20.438 -10.642 -1.773 1.00 45.45 H new ATOM 0 HG2 LYS B 35 20.068 -9.390 -3.625 1.00 60.24 H new ATOM 0 HG3 LYS B 35 18.639 -8.685 -2.896 1.00 60.24 H new ATOM 0 HD2 LYS B 35 19.973 -6.785 -3.264 1.00 62.23 H new ATOM 0 HD3 LYS B 35 20.332 -7.151 -1.589 1.00 62.23 H new ATOM 0 HE2 LYS B 35 22.514 -7.674 -2.046 1.00 54.40 H new ATOM 0 HE3 LYS B 35 22.087 -8.627 -3.453 1.00 54.40 H new ATOM 0 HZ1 LYS B 35 23.372 -6.650 -4.027 1.00 34.04 H new ATOM 0 HZ2 LYS B 35 21.831 -6.610 -4.738 1.00 34.04 H new ATOM 0 HZ3 LYS B 35 22.162 -5.654 -3.375 1.00 34.04 H new ATOM 999 N GLN B 36 17.523 -11.794 -2.180 1.00 51.54 N ATOM 1000 CA GLN B 36 17.070 -13.137 -2.501 1.00 4.12 C ATOM 1001 C GLN B 36 17.857 -13.693 -3.689 1.00 51.32 C ATOM 1002 O GLN B 36 18.968 -13.244 -3.967 1.00 63.52 O ATOM 1003 CB GLN B 36 15.566 -13.157 -2.781 1.00 5.04 C ATOM 1004 CG GLN B 36 14.796 -12.412 -1.688 1.00 62.21 C ATOM 1005 CD GLN B 36 14.711 -13.248 -0.411 1.00 31.55 C ATOM 1006 OE1 GLN B 36 13.825 -14.069 -0.232 1.00 42.53 O ATOM 1007 NE2 GLN B 36 15.679 -12.997 0.466 1.00 72.22 N ATOM 0 H GLN B 36 17.311 -11.092 -2.889 1.00 51.54 H new ATOM 0 HA GLN B 36 17.253 -13.777 -1.638 1.00 4.12 H new ATOM 0 HB2 GLN B 36 15.366 -12.698 -3.749 1.00 5.04 H new ATOM 0 HB3 GLN B 36 15.217 -14.188 -2.839 1.00 5.04 H new ATOM 0 HG2 GLN B 36 15.288 -11.463 -1.474 1.00 62.21 H new ATOM 0 HG3 GLN B 36 13.792 -12.178 -2.041 1.00 62.21 H new ATOM 0 HE21 GLN B 36 16.390 -12.297 0.254 1.00 72.22 H new ATOM 0 HE22 GLN B 36 15.710 -13.504 1.350 1.00 72.22 H new TER 1016 GLN B 36 HETATM 1017 CD CD A 37 19.068 5.652 -1.390 1.00 64.04 CD HETATM 1018 CD CD B 37 9.231 -4.558 6.651 1.00 11.51 CD