USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 286 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 NoAdj-H: A 33 HIS HE2 : A 33 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.0445 (180deg=0) USER MOD Single : A 2 SER OG : rot 35:sc= 0.865 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.163 USER MOD Single : A 8 GLN : amide:sc= -1.04! C(o=-1!,f=-4.6!) USER MOD Single : A 9 LYS NZ :NH3+ -168:sc= -1.33 (180deg=-1.66) USER MOD Single : A 11 TYR OH : rot 180:sc=-0.000842 USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 18 LYS NZ :NH3+ 166:sc= -0.0225 (180deg=-0.244) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0171 USER MOD Single : A 25 GLN : amide:sc= -0.717 K(o=-0.72,f=-2.4!) USER MOD Single : A 29 HIS : no HD1:sc= -0.95 K(o=-0.95,f=-4.7!) USER MOD Single : A 34 THR OG1 : rot -36:sc= 0.95 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 130:sc= 0.0225 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.639 -10.713 -9.920 1.00 0.00 N ATOM 2 CA GLY A 1 -12.445 -10.808 -8.485 1.00 0.00 C ATOM 3 C GLY A 1 -13.678 -10.396 -7.705 1.00 0.00 C ATOM 4 O GLY A 1 -14.789 -10.413 -8.233 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.264 -11.568 -10.378 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.654 -10.626 -10.128 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.138 -9.877 -10.283 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.179 -11.833 -8.224 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.606 -10.177 -8.192 1.00 0.00 H new ATOM 8 N SER A 2 -13.482 -10.027 -6.443 1.00 0.00 N ATOM 9 CA SER A 2 -14.587 -9.614 -5.587 1.00 0.00 C ATOM 10 C SER A 2 -14.076 -8.850 -4.369 1.00 0.00 C ATOM 11 O SER A 2 -12.884 -8.877 -4.061 1.00 0.00 O ATOM 12 CB SER A 2 -15.393 -10.834 -5.135 1.00 0.00 C ATOM 13 OG SER A 2 -16.402 -11.156 -6.077 1.00 0.00 O ATOM 0 H SER A 2 -12.568 -10.006 -5.991 1.00 0.00 H new ATOM 0 HA SER A 2 -15.233 -8.953 -6.164 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.726 -11.687 -5.006 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.847 -10.634 -4.165 1.00 0.00 H new ATOM 0 HG SER A 2 -16.074 -10.974 -6.982 1.00 0.00 H new ATOM 19 N SER A 3 -14.986 -8.168 -3.681 1.00 0.00 N ATOM 20 CA SER A 3 -14.628 -7.392 -2.499 1.00 0.00 C ATOM 21 C SER A 3 -15.054 -8.115 -1.225 1.00 0.00 C ATOM 22 O SER A 3 -16.020 -8.878 -1.224 1.00 0.00 O ATOM 23 CB SER A 3 -15.277 -6.008 -2.556 1.00 0.00 C ATOM 24 OG SER A 3 -16.689 -6.109 -2.610 1.00 0.00 O ATOM 0 H SER A 3 -15.977 -8.137 -3.922 1.00 0.00 H new ATOM 0 HA SER A 3 -13.544 -7.276 -2.485 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.984 -5.429 -1.680 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.914 -5.468 -3.431 1.00 0.00 H new ATOM 0 HG SER A 3 -17.080 -5.211 -2.644 1.00 0.00 H new ATOM 30 N GLY A 4 -14.326 -7.869 -0.140 1.00 0.00 N ATOM 31 CA GLY A 4 -14.643 -8.503 1.126 1.00 0.00 C ATOM 32 C GLY A 4 -14.067 -7.752 2.310 1.00 0.00 C ATOM 33 O GLY A 4 -13.127 -8.220 2.953 1.00 0.00 O ATOM 0 H GLY A 4 -13.522 -7.242 -0.115 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.726 -8.571 1.234 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.259 -9.523 1.125 1.00 0.00 H new ATOM 37 N SER A 5 -14.632 -6.584 2.599 1.00 0.00 N ATOM 38 CA SER A 5 -14.165 -5.764 3.712 1.00 0.00 C ATOM 39 C SER A 5 -15.340 -5.250 4.538 1.00 0.00 C ATOM 40 O SER A 5 -16.268 -4.641 4.005 1.00 0.00 O ATOM 41 CB SER A 5 -13.337 -4.587 3.193 1.00 0.00 C ATOM 42 OG SER A 5 -12.100 -5.028 2.662 1.00 0.00 O ATOM 0 H SER A 5 -15.413 -6.184 2.079 1.00 0.00 H new ATOM 0 HA SER A 5 -13.538 -6.385 4.352 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.897 -4.055 2.424 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.157 -3.880 4.003 1.00 0.00 H new ATOM 0 HG SER A 5 -11.591 -4.257 2.336 1.00 0.00 H new ATOM 48 N SER A 6 -15.292 -5.499 5.842 1.00 0.00 N ATOM 49 CA SER A 6 -16.354 -5.065 6.743 1.00 0.00 C ATOM 50 C SER A 6 -15.916 -3.848 7.552 1.00 0.00 C ATOM 51 O SER A 6 -16.630 -2.850 7.628 1.00 0.00 O ATOM 52 CB SER A 6 -16.749 -6.204 7.686 1.00 0.00 C ATOM 53 OG SER A 6 -15.675 -6.551 8.543 1.00 0.00 O ATOM 0 H SER A 6 -14.529 -5.999 6.299 1.00 0.00 H new ATOM 0 HA SER A 6 -17.218 -4.787 6.140 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.612 -5.905 8.281 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.050 -7.075 7.104 1.00 0.00 H new ATOM 0 HG SER A 6 -15.953 -7.279 9.137 1.00 0.00 H new ATOM 59 N GLY A 7 -14.735 -3.940 8.156 1.00 0.00 N ATOM 60 CA GLY A 7 -14.221 -2.841 8.952 1.00 0.00 C ATOM 61 C GLY A 7 -14.221 -1.527 8.195 1.00 0.00 C ATOM 62 O GLY A 7 -13.815 -1.473 7.035 1.00 0.00 O ATOM 0 H GLY A 7 -14.125 -4.756 8.108 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.824 -2.737 9.854 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.205 -3.072 9.272 1.00 0.00 H new ATOM 66 N GLN A 8 -14.680 -0.467 8.853 1.00 0.00 N ATOM 67 CA GLN A 8 -14.734 0.851 8.233 1.00 0.00 C ATOM 68 C GLN A 8 -13.347 1.483 8.178 1.00 0.00 C ATOM 69 O GLN A 8 -12.560 1.364 9.117 1.00 0.00 O ATOM 70 CB GLN A 8 -15.692 1.762 9.003 1.00 0.00 C ATOM 71 CG GLN A 8 -15.258 2.028 10.436 1.00 0.00 C ATOM 72 CD GLN A 8 -15.724 0.951 11.396 1.00 0.00 C ATOM 73 OE1 GLN A 8 -16.503 0.071 11.030 1.00 0.00 O ATOM 74 NE2 GLN A 8 -15.248 1.016 12.634 1.00 0.00 N ATOM 0 H GLN A 8 -15.019 -0.496 9.814 1.00 0.00 H new ATOM 0 HA GLN A 8 -15.100 0.730 7.213 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -15.779 2.712 8.476 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -16.684 1.310 9.010 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -14.171 2.099 10.475 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -15.652 2.992 10.758 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.604 1.763 12.894 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -15.526 0.319 13.325 1.00 0.00 H new ATOM 83 N LYS A 9 -13.053 2.157 7.071 1.00 0.00 N ATOM 84 CA LYS A 9 -11.761 2.810 6.892 1.00 0.00 C ATOM 85 C LYS A 9 -11.885 4.018 5.969 1.00 0.00 C ATOM 86 O LYS A 9 -12.014 3.888 4.751 1.00 0.00 O ATOM 87 CB LYS A 9 -10.742 1.821 6.321 1.00 0.00 C ATOM 88 CG LYS A 9 -10.532 0.594 7.192 1.00 0.00 C ATOM 89 CD LYS A 9 -9.639 -0.428 6.508 1.00 0.00 C ATOM 90 CE LYS A 9 -9.244 -1.548 7.459 1.00 0.00 C ATOM 91 NZ LYS A 9 -8.270 -1.085 8.486 1.00 0.00 N ATOM 0 H LYS A 9 -13.692 2.265 6.284 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.417 3.154 7.868 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.072 1.502 5.332 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.788 2.331 6.190 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.085 0.892 8.141 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.496 0.140 7.422 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.158 -0.847 5.646 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.742 0.065 6.132 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.135 -1.937 7.952 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.810 -2.371 6.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.872 -1.907 8.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.504 -0.555 8.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.753 -0.468 9.170 1.00 0.00 H new ATOM 105 N PRO A 10 -11.845 5.221 6.559 1.00 0.00 N ATOM 106 CA PRO A 10 -11.949 6.475 5.807 1.00 0.00 C ATOM 107 C PRO A 10 -10.715 6.744 4.953 1.00 0.00 C ATOM 108 O PRO A 10 -10.823 7.195 3.813 1.00 0.00 O ATOM 109 CB PRO A 10 -12.082 7.536 6.903 1.00 0.00 C ATOM 110 CG PRO A 10 -11.432 6.928 8.099 1.00 0.00 C ATOM 111 CD PRO A 10 -11.693 5.450 8.006 1.00 0.00 C ATOM 0 HA PRO A 10 -12.782 6.460 5.105 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.591 8.466 6.616 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -13.127 7.774 7.099 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.362 7.135 8.109 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.845 7.340 9.020 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.869 4.869 8.420 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.591 5.165 8.554 1.00 0.00 H new ATOM 119 N TYR A 11 -9.542 6.463 5.512 1.00 0.00 N ATOM 120 CA TYR A 11 -8.287 6.676 4.802 1.00 0.00 C ATOM 121 C TYR A 11 -8.089 5.621 3.717 1.00 0.00 C ATOM 122 O TYR A 11 -7.625 4.514 3.989 1.00 0.00 O ATOM 123 CB TYR A 11 -7.112 6.645 5.780 1.00 0.00 C ATOM 124 CG TYR A 11 -7.327 7.495 7.012 1.00 0.00 C ATOM 125 CD1 TYR A 11 -8.017 6.998 8.111 1.00 0.00 C ATOM 126 CD2 TYR A 11 -6.841 8.795 7.077 1.00 0.00 C ATOM 127 CE1 TYR A 11 -8.216 7.771 9.238 1.00 0.00 C ATOM 128 CE2 TYR A 11 -7.034 9.574 8.201 1.00 0.00 C ATOM 129 CZ TYR A 11 -7.723 9.058 9.279 1.00 0.00 C ATOM 130 OH TYR A 11 -7.919 9.832 10.399 1.00 0.00 O ATOM 0 H TYR A 11 -9.435 6.087 6.454 1.00 0.00 H new ATOM 0 HA TYR A 11 -8.329 7.656 4.327 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -6.932 5.615 6.087 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -6.213 6.986 5.266 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -8.404 5.990 8.083 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -6.303 9.203 6.234 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -8.755 7.369 10.083 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -6.648 10.582 8.236 1.00 0.00 H new ATOM 0 HH TYR A 11 -7.508 10.711 10.265 1.00 0.00 H new ATOM 140 N VAL A 12 -8.443 5.974 2.486 1.00 0.00 N ATOM 141 CA VAL A 12 -8.303 5.061 1.358 1.00 0.00 C ATOM 142 C VAL A 12 -7.223 5.539 0.394 1.00 0.00 C ATOM 143 O VAL A 12 -7.193 6.707 0.007 1.00 0.00 O ATOM 144 CB VAL A 12 -9.629 4.908 0.591 1.00 0.00 C ATOM 145 CG1 VAL A 12 -9.455 3.976 -0.598 1.00 0.00 C ATOM 146 CG2 VAL A 12 -10.725 4.404 1.518 1.00 0.00 C ATOM 0 H VAL A 12 -8.829 6.887 2.244 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.016 4.093 1.769 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.925 5.887 0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.403 3.881 -1.127 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.702 4.384 -1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.135 2.995 -0.247 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.655 4.302 0.959 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.439 3.435 1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.867 5.114 2.333 1.00 0.00 H new ATOM 156 N CYS A 13 -6.336 4.627 0.009 1.00 0.00 N ATOM 157 CA CYS A 13 -5.253 4.954 -0.911 1.00 0.00 C ATOM 158 C CYS A 13 -5.799 5.304 -2.292 1.00 0.00 C ATOM 159 O CYS A 13 -6.705 4.643 -2.798 1.00 0.00 O ATOM 160 CB CYS A 13 -4.275 3.782 -1.018 1.00 0.00 C ATOM 161 SG CYS A 13 -2.589 4.263 -1.510 1.00 0.00 S ATOM 0 H CYS A 13 -6.346 3.656 0.320 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.726 5.823 -0.518 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.230 3.272 -0.056 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.662 3.064 -1.741 1.00 0.00 H new ATOM 166 N ASN A 14 -5.240 6.347 -2.896 1.00 0.00 N ATOM 167 CA ASN A 14 -5.671 6.785 -4.219 1.00 0.00 C ATOM 168 C ASN A 14 -4.760 6.218 -5.303 1.00 0.00 C ATOM 169 O ASN A 14 -4.798 6.657 -6.452 1.00 0.00 O ATOM 170 CB ASN A 14 -5.681 8.313 -4.295 1.00 0.00 C ATOM 171 CG ASN A 14 -6.868 8.920 -3.571 1.00 0.00 C ATOM 172 OD1 ASN A 14 -7.171 8.552 -2.436 1.00 0.00 O ATOM 173 ND2 ASN A 14 -7.546 9.855 -4.226 1.00 0.00 N ATOM 0 H ASN A 14 -4.488 6.905 -2.491 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.682 6.412 -4.386 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.758 8.702 -3.864 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -5.699 8.622 -5.340 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.354 10.299 -3.790 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.259 10.129 -5.166 1.00 0.00 H new ATOM 180 N GLU A 15 -3.943 5.238 -4.929 1.00 0.00 N ATOM 181 CA GLU A 15 -3.022 4.611 -5.870 1.00 0.00 C ATOM 182 C GLU A 15 -3.427 3.166 -6.146 1.00 0.00 C ATOM 183 O GLU A 15 -3.439 2.720 -7.294 1.00 0.00 O ATOM 184 CB GLU A 15 -1.593 4.657 -5.327 1.00 0.00 C ATOM 185 CG GLU A 15 -0.897 5.988 -5.555 1.00 0.00 C ATOM 186 CD GLU A 15 -0.345 6.124 -6.961 1.00 0.00 C ATOM 187 OE1 GLU A 15 0.724 5.539 -7.237 1.00 0.00 O ATOM 188 OE2 GLU A 15 -0.980 6.815 -7.785 1.00 0.00 O ATOM 0 H GLU A 15 -3.900 4.861 -3.982 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.065 5.167 -6.806 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.613 4.446 -4.258 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.009 3.866 -5.798 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.600 6.799 -5.365 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.084 6.096 -4.837 1.00 0.00 H new ATOM 195 N CYS A 16 -3.759 2.438 -5.085 1.00 0.00 N ATOM 196 CA CYS A 16 -4.164 1.043 -5.210 1.00 0.00 C ATOM 197 C CYS A 16 -5.594 0.845 -4.716 1.00 0.00 C ATOM 198 O CYS A 16 -6.339 0.024 -5.250 1.00 0.00 O ATOM 199 CB CYS A 16 -3.211 0.141 -4.423 1.00 0.00 C ATOM 200 SG CYS A 16 -3.165 0.488 -2.635 1.00 0.00 S ATOM 0 H CYS A 16 -3.755 2.792 -4.128 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.122 0.772 -6.265 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.504 -0.898 -4.573 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.206 0.250 -4.829 1.00 0.00 H new ATOM 205 N GLY A 17 -5.970 1.604 -3.691 1.00 0.00 N ATOM 206 CA GLY A 17 -7.309 1.497 -3.142 1.00 0.00 C ATOM 207 C GLY A 17 -7.332 0.789 -1.802 1.00 0.00 C ATOM 208 O GLY A 17 -8.330 0.169 -1.435 1.00 0.00 O ATOM 0 H GLY A 17 -5.372 2.290 -3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.733 2.495 -3.029 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.944 0.958 -3.845 1.00 0.00 H new ATOM 212 N LYS A 18 -6.227 0.878 -1.069 1.00 0.00 N ATOM 213 CA LYS A 18 -6.122 0.241 0.238 1.00 0.00 C ATOM 214 C LYS A 18 -6.639 1.164 1.337 1.00 0.00 C ATOM 215 O LYS A 18 -6.196 2.305 1.461 1.00 0.00 O ATOM 216 CB LYS A 18 -4.670 -0.146 0.525 1.00 0.00 C ATOM 217 CG LYS A 18 -4.530 -1.332 1.464 1.00 0.00 C ATOM 218 CD LYS A 18 -3.217 -2.064 1.246 1.00 0.00 C ATOM 219 CE LYS A 18 -3.134 -3.324 2.094 1.00 0.00 C ATOM 220 NZ LYS A 18 -4.138 -4.341 1.675 1.00 0.00 N ATOM 0 H LYS A 18 -5.391 1.386 -1.359 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.736 -0.659 0.225 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.172 -0.378 -0.416 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.153 0.711 0.956 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.589 -0.988 2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.361 -2.020 1.309 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.116 -2.326 0.193 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.386 -1.403 1.492 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.133 -3.748 2.017 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.292 -3.068 3.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.902 -5.259 2.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.084 -4.045 1.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.130 -4.431 0.639 1.00 0.00 H new ATOM 234 N ALA A 19 -7.578 0.662 2.133 1.00 0.00 N ATOM 235 CA ALA A 19 -8.152 1.441 3.223 1.00 0.00 C ATOM 236 C ALA A 19 -7.412 1.182 4.531 1.00 0.00 C ATOM 237 O ALA A 19 -6.968 0.065 4.794 1.00 0.00 O ATOM 238 CB ALA A 19 -9.631 1.119 3.379 1.00 0.00 C ATOM 0 H ALA A 19 -7.957 -0.281 2.043 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.045 2.498 2.978 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.047 1.708 4.197 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.155 1.360 2.454 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.751 0.058 3.598 1.00 0.00 H new ATOM 244 N PHE A 20 -7.283 2.223 5.347 1.00 0.00 N ATOM 245 CA PHE A 20 -6.594 2.109 6.628 1.00 0.00 C ATOM 246 C PHE A 20 -7.365 2.836 7.726 1.00 0.00 C ATOM 247 O PHE A 20 -7.383 4.065 7.777 1.00 0.00 O ATOM 248 CB PHE A 20 -5.177 2.676 6.522 1.00 0.00 C ATOM 249 CG PHE A 20 -4.389 2.110 5.376 1.00 0.00 C ATOM 250 CD1 PHE A 20 -4.612 2.548 4.081 1.00 0.00 C ATOM 251 CD2 PHE A 20 -3.425 1.139 5.595 1.00 0.00 C ATOM 252 CE1 PHE A 20 -3.887 2.028 3.024 1.00 0.00 C ATOM 253 CE2 PHE A 20 -2.697 0.616 4.542 1.00 0.00 C ATOM 254 CZ PHE A 20 -2.930 1.061 3.255 1.00 0.00 C ATOM 0 H PHE A 20 -7.646 3.154 5.145 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.535 1.052 6.888 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.235 3.759 6.413 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.644 2.477 7.452 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.360 3.304 3.894 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.240 0.787 6.599 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.070 2.378 2.019 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.947 -0.139 4.725 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.364 0.653 2.431 1.00 0.00 H new ATOM 264 N GLY A 21 -8.001 2.066 8.604 1.00 0.00 N ATOM 265 CA GLY A 21 -8.765 2.653 9.689 1.00 0.00 C ATOM 266 C GLY A 21 -8.048 3.821 10.337 1.00 0.00 C ATOM 267 O GLY A 21 -8.678 4.682 10.953 1.00 0.00 O ATOM 0 H GLY A 21 -8.001 1.046 8.583 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.730 2.988 9.310 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.966 1.891 10.442 1.00 0.00 H new ATOM 271 N LEU A 22 -6.727 3.851 10.201 1.00 0.00 N ATOM 272 CA LEU A 22 -5.923 4.922 10.781 1.00 0.00 C ATOM 273 C LEU A 22 -5.310 5.794 9.689 1.00 0.00 C ATOM 274 O LEU A 22 -5.124 5.350 8.556 1.00 0.00 O ATOM 275 CB LEU A 22 -4.818 4.336 11.662 1.00 0.00 C ATOM 276 CG LEU A 22 -5.163 4.156 13.140 1.00 0.00 C ATOM 277 CD1 LEU A 22 -3.993 3.539 13.890 1.00 0.00 C ATOM 278 CD2 LEU A 22 -5.554 5.489 13.763 1.00 0.00 C ATOM 0 H LEU A 22 -6.190 3.147 9.695 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.576 5.544 11.393 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.533 3.366 11.255 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.943 4.982 11.590 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.014 3.479 13.214 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.257 3.418 14.941 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.759 2.565 13.461 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.123 4.191 13.807 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.796 5.342 14.815 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.723 6.189 13.677 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.423 5.892 13.244 1.00 0.00 H new ATOM 290 N LYS A 23 -4.996 7.037 10.039 1.00 0.00 N ATOM 291 CA LYS A 23 -4.401 7.971 9.092 1.00 0.00 C ATOM 292 C LYS A 23 -2.945 7.611 8.813 1.00 0.00 C ATOM 293 O LYS A 23 -2.577 7.308 7.678 1.00 0.00 O ATOM 294 CB LYS A 23 -4.489 9.401 9.630 1.00 0.00 C ATOM 295 CG LYS A 23 -4.163 10.463 8.594 1.00 0.00 C ATOM 296 CD LYS A 23 -4.521 11.854 9.089 1.00 0.00 C ATOM 297 CE LYS A 23 -4.194 12.916 8.051 1.00 0.00 C ATOM 298 NZ LYS A 23 -4.982 14.162 8.265 1.00 0.00 N ATOM 0 H LYS A 23 -5.144 7.420 10.973 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.959 7.905 8.158 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.495 9.575 10.012 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.806 9.506 10.473 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.101 10.424 8.353 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.706 10.253 7.673 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.583 11.894 9.329 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.978 12.065 10.010 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.130 13.148 8.092 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.397 12.524 7.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.730 14.861 7.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.997 13.946 8.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.769 14.550 9.206 1.00 0.00 H new ATOM 312 N SER A 24 -2.122 7.645 9.856 1.00 0.00 N ATOM 313 CA SER A 24 -0.706 7.324 9.723 1.00 0.00 C ATOM 314 C SER A 24 -0.514 6.021 8.951 1.00 0.00 C ATOM 315 O SER A 24 0.399 5.900 8.135 1.00 0.00 O ATOM 316 CB SER A 24 -0.054 7.213 11.102 1.00 0.00 C ATOM 317 OG SER A 24 -0.532 6.078 11.803 1.00 0.00 O ATOM 0 H SER A 24 -2.411 7.892 10.802 1.00 0.00 H new ATOM 0 HA SER A 24 -0.227 8.130 9.167 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.028 7.147 10.992 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.261 8.114 11.679 1.00 0.00 H new ATOM 0 HG SER A 24 -0.098 6.029 12.681 1.00 0.00 H new ATOM 323 N GLN A 25 -1.382 5.050 9.218 1.00 0.00 N ATOM 324 CA GLN A 25 -1.308 3.756 8.550 1.00 0.00 C ATOM 325 C GLN A 25 -1.252 3.928 7.035 1.00 0.00 C ATOM 326 O GLN A 25 -0.476 3.257 6.352 1.00 0.00 O ATOM 327 CB GLN A 25 -2.511 2.892 8.932 1.00 0.00 C ATOM 328 CG GLN A 25 -2.489 2.426 10.379 1.00 0.00 C ATOM 329 CD GLN A 25 -1.215 1.687 10.736 1.00 0.00 C ATOM 330 OE1 GLN A 25 -0.492 1.213 9.859 1.00 0.00 O ATOM 331 NE2 GLN A 25 -0.930 1.586 12.029 1.00 0.00 N ATOM 0 H GLN A 25 -2.144 5.135 9.891 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.394 3.259 8.875 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.425 3.458 8.755 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.544 2.020 8.278 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.600 3.289 11.036 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.345 1.775 10.560 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.557 1.994 12.723 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.084 1.101 12.328 1.00 0.00 H new ATOM 340 N LEU A 26 -2.078 4.829 6.516 1.00 0.00 N ATOM 341 CA LEU A 26 -2.123 5.089 5.081 1.00 0.00 C ATOM 342 C LEU A 26 -0.903 5.889 4.634 1.00 0.00 C ATOM 343 O LEU A 26 -0.321 5.617 3.584 1.00 0.00 O ATOM 344 CB LEU A 26 -3.403 5.844 4.719 1.00 0.00 C ATOM 345 CG LEU A 26 -3.486 6.377 3.289 1.00 0.00 C ATOM 346 CD1 LEU A 26 -3.639 5.232 2.300 1.00 0.00 C ATOM 347 CD2 LEU A 26 -4.640 7.360 3.152 1.00 0.00 C ATOM 0 H LEU A 26 -2.726 5.392 7.067 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.116 4.130 4.563 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.252 5.182 4.888 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.512 6.684 5.405 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.558 6.903 3.064 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.696 5.631 1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.780 4.566 2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.550 4.677 2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.684 7.729 2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.576 6.859 3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.488 8.197 3.833 1.00 0.00 H new ATOM 359 N ILE A 27 -0.522 6.875 5.439 1.00 0.00 N ATOM 360 CA ILE A 27 0.630 7.712 5.128 1.00 0.00 C ATOM 361 C ILE A 27 1.871 6.865 4.867 1.00 0.00 C ATOM 362 O ILE A 27 2.616 7.114 3.919 1.00 0.00 O ATOM 363 CB ILE A 27 0.930 8.704 6.268 1.00 0.00 C ATOM 364 CG1 ILE A 27 -0.333 9.482 6.641 1.00 0.00 C ATOM 365 CG2 ILE A 27 2.045 9.656 5.862 1.00 0.00 C ATOM 366 CD1 ILE A 27 -0.117 10.489 7.750 1.00 0.00 C ATOM 0 H ILE A 27 -0.994 7.114 6.311 1.00 0.00 H new ATOM 0 HA ILE A 27 0.379 8.272 4.227 1.00 0.00 H new ATOM 0 HB ILE A 27 1.259 8.142 7.142 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.705 10.001 5.757 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.107 8.778 6.946 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.245 10.351 6.678 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.947 9.086 5.641 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.742 10.214 4.976 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.054 11.003 7.962 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.225 9.974 8.648 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.634 11.216 7.440 1.00 0.00 H new ATOM 378 N ILE A 28 2.085 5.863 5.712 1.00 0.00 N ATOM 379 CA ILE A 28 3.233 4.977 5.571 1.00 0.00 C ATOM 380 C ILE A 28 3.097 4.093 4.336 1.00 0.00 C ATOM 381 O ILE A 28 4.087 3.772 3.677 1.00 0.00 O ATOM 382 CB ILE A 28 3.410 4.081 6.812 1.00 0.00 C ATOM 383 CG1 ILE A 28 3.537 4.939 8.072 1.00 0.00 C ATOM 384 CG2 ILE A 28 4.628 3.185 6.649 1.00 0.00 C ATOM 385 CD1 ILE A 28 3.007 4.264 9.318 1.00 0.00 C ATOM 0 H ILE A 28 1.478 5.644 6.502 1.00 0.00 H new ATOM 0 HA ILE A 28 4.111 5.614 5.465 1.00 0.00 H new ATOM 0 HB ILE A 28 2.529 3.447 6.914 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.586 5.193 8.224 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.001 5.876 7.920 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.740 2.558 7.534 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.500 2.553 5.770 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.519 3.801 6.526 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.129 4.930 10.172 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.950 4.034 9.186 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.560 3.341 9.495 1.00 0.00 H new ATOM 397 N HIS A 29 1.864 3.705 4.025 1.00 0.00 N ATOM 398 CA HIS A 29 1.598 2.860 2.867 1.00 0.00 C ATOM 399 C HIS A 29 1.843 3.624 1.569 1.00 0.00 C ATOM 400 O HIS A 29 2.590 3.171 0.703 1.00 0.00 O ATOM 401 CB HIS A 29 0.159 2.344 2.905 1.00 0.00 C ATOM 402 CG HIS A 29 -0.235 1.577 1.681 1.00 0.00 C ATOM 403 ND1 HIS A 29 0.122 0.262 1.470 1.00 0.00 N ATOM 404 CD2 HIS A 29 -0.961 1.946 0.600 1.00 0.00 C ATOM 405 CE1 HIS A 29 -0.366 -0.144 0.311 1.00 0.00 C ATOM 406 NE2 HIS A 29 -1.028 0.859 -0.237 1.00 0.00 N ATOM 0 H HIS A 29 1.034 3.962 4.559 1.00 0.00 H new ATOM 0 HA HIS A 29 2.281 2.011 2.903 1.00 0.00 H new ATOM 0 HB2 HIS A 29 0.034 1.706 3.780 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.518 3.189 3.028 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.405 2.915 0.428 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.244 -1.129 -0.116 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -1.510 0.831 -1.135 1.00 0.00 H new ATOM 414 N GLU A 30 1.207 4.785 1.443 1.00 0.00 N ATOM 415 CA GLU A 30 1.355 5.611 0.250 1.00 0.00 C ATOM 416 C GLU A 30 2.826 5.766 -0.125 1.00 0.00 C ATOM 417 O GLU A 30 3.156 6.091 -1.265 1.00 0.00 O ATOM 418 CB GLU A 30 0.726 6.987 0.474 1.00 0.00 C ATOM 419 CG GLU A 30 -0.759 6.934 0.790 1.00 0.00 C ATOM 420 CD GLU A 30 -1.297 8.260 1.290 1.00 0.00 C ATOM 421 OE1 GLU A 30 -1.191 8.523 2.506 1.00 0.00 O ATOM 422 OE2 GLU A 30 -1.825 9.035 0.465 1.00 0.00 O ATOM 0 H GLU A 30 0.585 5.174 2.152 1.00 0.00 H new ATOM 0 HA GLU A 30 0.839 5.114 -0.571 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.245 7.485 1.292 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.878 7.596 -0.417 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.307 6.638 -0.105 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.939 6.166 1.542 1.00 0.00 H new ATOM 429 N ARG A 31 3.705 5.532 0.844 1.00 0.00 N ATOM 430 CA ARG A 31 5.141 5.647 0.618 1.00 0.00 C ATOM 431 C ARG A 31 5.582 4.758 -0.541 1.00 0.00 C ATOM 432 O ARG A 31 6.498 5.104 -1.288 1.00 0.00 O ATOM 433 CB ARG A 31 5.911 5.271 1.885 1.00 0.00 C ATOM 434 CG ARG A 31 5.604 6.169 3.073 1.00 0.00 C ATOM 435 CD ARG A 31 6.285 5.670 4.338 1.00 0.00 C ATOM 436 NE ARG A 31 7.741 5.728 4.235 1.00 0.00 N ATOM 437 CZ ARG A 31 8.558 4.948 4.933 1.00 0.00 C ATOM 438 NH1 ARG A 31 8.065 4.055 5.781 1.00 0.00 N ATOM 439 NH2 ARG A 31 9.872 5.059 4.785 1.00 0.00 N ATOM 0 H ARG A 31 3.448 5.262 1.793 1.00 0.00 H new ATOM 0 HA ARG A 31 5.361 6.684 0.362 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.677 4.240 2.150 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.980 5.312 1.676 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.934 7.185 2.857 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.526 6.210 3.231 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.957 6.270 5.187 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.976 4.643 4.535 1.00 0.00 H new ATOM 0 HE ARG A 31 8.152 6.404 3.592 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.056 3.966 5.898 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.695 3.457 6.316 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.256 5.744 4.134 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.498 4.459 5.322 1.00 0.00 H new ATOM 453 N ILE A 32 4.925 3.612 -0.684 1.00 0.00 N ATOM 454 CA ILE A 32 5.249 2.674 -1.751 1.00 0.00 C ATOM 455 C ILE A 32 5.100 3.327 -3.121 1.00 0.00 C ATOM 456 O ILE A 32 5.842 3.016 -4.053 1.00 0.00 O ATOM 457 CB ILE A 32 4.353 1.422 -1.692 1.00 0.00 C ATOM 458 CG1 ILE A 32 2.923 1.771 -2.110 1.00 0.00 C ATOM 459 CG2 ILE A 32 4.371 0.824 -0.293 1.00 0.00 C ATOM 460 CD1 ILE A 32 2.042 0.560 -2.319 1.00 0.00 C ATOM 0 H ILE A 32 4.165 3.311 -0.074 1.00 0.00 H new ATOM 0 HA ILE A 32 6.287 2.375 -1.604 1.00 0.00 H new ATOM 0 HB ILE A 32 4.744 0.680 -2.388 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.476 2.408 -1.347 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.954 2.351 -3.032 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.733 -0.060 -0.267 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.391 0.544 -0.030 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.001 1.559 0.422 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.043 0.883 -2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.466 -0.068 -3.103 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.980 -0.009 -1.392 1.00 0.00 H new ATOM 472 N HIS A 33 4.137 4.236 -3.236 1.00 0.00 N ATOM 473 CA HIS A 33 3.892 4.936 -4.492 1.00 0.00 C ATOM 474 C HIS A 33 4.766 6.183 -4.598 1.00 0.00 C ATOM 475 O HIS A 33 5.386 6.433 -5.632 1.00 0.00 O ATOM 476 CB HIS A 33 2.417 5.322 -4.606 1.00 0.00 C ATOM 477 CG HIS A 33 1.478 4.182 -4.353 1.00 0.00 C ATOM 478 ND1 HIS A 33 1.394 3.080 -5.178 1.00 0.00 N ATOM 479 CD2 HIS A 33 0.582 3.977 -3.360 1.00 0.00 C ATOM 480 CE1 HIS A 33 0.485 2.247 -4.704 1.00 0.00 C ATOM 481 NE2 HIS A 33 -0.022 2.768 -3.601 1.00 0.00 N ATOM 0 H HIS A 33 3.514 4.505 -2.475 1.00 0.00 H new ATOM 0 HA HIS A 33 4.148 4.263 -5.310 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.203 6.122 -3.897 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.230 5.721 -5.603 1.00 0.00 H new ATOM 0 HD1 HIS A 33 1.947 2.931 -6.022 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.380 4.641 -2.532 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.204 1.301 -5.143 1.00 0.00 H new ATOM 489 N THR A 34 4.810 6.962 -3.522 1.00 0.00 N ATOM 490 CA THR A 34 5.605 8.183 -3.495 1.00 0.00 C ATOM 491 C THR A 34 6.957 7.973 -4.168 1.00 0.00 C ATOM 492 O THR A 34 7.461 8.857 -4.860 1.00 0.00 O ATOM 493 CB THR A 34 5.833 8.674 -2.053 1.00 0.00 C ATOM 494 OG1 THR A 34 6.675 7.754 -1.349 1.00 0.00 O ATOM 495 CG2 THR A 34 4.509 8.823 -1.317 1.00 0.00 C ATOM 0 H THR A 34 4.304 6.769 -2.658 1.00 0.00 H new ATOM 0 HA THR A 34 5.042 8.939 -4.043 1.00 0.00 H new ATOM 0 HB THR A 34 6.319 9.649 -2.097 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.471 6.839 -1.636 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.695 9.171 -0.301 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.882 9.546 -1.839 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.001 7.859 -1.283 1.00 0.00 H new ATOM 503 N GLY A 35 7.540 6.797 -3.960 1.00 0.00 N ATOM 504 CA GLY A 35 8.829 6.492 -4.553 1.00 0.00 C ATOM 505 C GLY A 35 8.714 5.560 -5.743 1.00 0.00 C ATOM 506 O GLY A 35 7.671 4.942 -5.956 1.00 0.00 O ATOM 0 H GLY A 35 7.143 6.049 -3.391 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.310 7.419 -4.866 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.473 6.037 -3.800 1.00 0.00 H new ATOM 510 N GLU A 36 9.787 5.460 -6.521 1.00 0.00 N ATOM 511 CA GLU A 36 9.800 4.598 -7.697 1.00 0.00 C ATOM 512 C GLU A 36 10.035 3.143 -7.303 1.00 0.00 C ATOM 513 O GLU A 36 9.180 2.284 -7.518 1.00 0.00 O ATOM 514 CB GLU A 36 10.882 5.053 -8.679 1.00 0.00 C ATOM 515 CG GLU A 36 11.071 4.111 -9.856 1.00 0.00 C ATOM 516 CD GLU A 36 12.163 4.571 -10.802 1.00 0.00 C ATOM 517 OE1 GLU A 36 12.202 5.779 -11.118 1.00 0.00 O ATOM 518 OE2 GLU A 36 12.977 3.725 -11.226 1.00 0.00 O ATOM 0 H GLU A 36 10.658 5.965 -6.358 1.00 0.00 H new ATOM 0 HA GLU A 36 8.826 4.673 -8.181 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.626 6.044 -9.055 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.828 5.149 -8.146 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.313 3.115 -9.484 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.132 4.027 -10.404 1.00 0.00 H new ATOM 525 N SER A 37 11.202 2.874 -6.724 1.00 0.00 N ATOM 526 CA SER A 37 11.552 1.523 -6.303 1.00 0.00 C ATOM 527 C SER A 37 10.332 0.791 -5.753 1.00 0.00 C ATOM 528 O SER A 37 9.499 1.379 -5.066 1.00 0.00 O ATOM 529 CB SER A 37 12.655 1.566 -5.244 1.00 0.00 C ATOM 530 OG SER A 37 12.850 0.290 -4.658 1.00 0.00 O ATOM 0 H SER A 37 11.920 3.574 -6.536 1.00 0.00 H new ATOM 0 HA SER A 37 11.916 0.981 -7.176 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.586 1.907 -5.697 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.393 2.288 -4.471 1.00 0.00 H new ATOM 0 HG SER A 37 13.561 0.344 -3.986 1.00 0.00 H new ATOM 536 N GLY A 38 10.234 -0.499 -6.063 1.00 0.00 N ATOM 537 CA GLY A 38 9.112 -1.291 -5.593 1.00 0.00 C ATOM 538 C GLY A 38 8.301 -1.880 -6.730 1.00 0.00 C ATOM 539 O GLY A 38 8.448 -1.495 -7.890 1.00 0.00 O ATOM 0 H GLY A 38 10.911 -1.009 -6.631 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.481 -2.097 -4.958 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.466 -0.668 -4.974 1.00 0.00 H new ATOM 543 N PRO A 39 7.422 -2.838 -6.401 1.00 0.00 N ATOM 544 CA PRO A 39 6.568 -3.502 -7.390 1.00 0.00 C ATOM 545 C PRO A 39 5.495 -2.573 -7.946 1.00 0.00 C ATOM 546 O PRO A 39 4.671 -2.980 -8.765 1.00 0.00 O ATOM 547 CB PRO A 39 5.927 -4.643 -6.596 1.00 0.00 C ATOM 548 CG PRO A 39 5.951 -4.180 -5.180 1.00 0.00 C ATOM 549 CD PRO A 39 7.194 -3.347 -5.038 1.00 0.00 C ATOM 0 HA PRO A 39 7.135 -3.835 -8.260 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.908 -4.836 -6.932 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.484 -5.572 -6.718 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.061 -3.596 -4.945 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.968 -5.026 -4.493 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.054 -2.535 -4.324 1.00 0.00 H new ATOM 0 HD3 PRO A 39 8.037 -3.941 -4.685 1.00 0.00 H new ATOM 557 N SER A 40 5.511 -1.322 -7.497 1.00 0.00 N ATOM 558 CA SER A 40 4.537 -0.335 -7.948 1.00 0.00 C ATOM 559 C SER A 40 5.189 0.689 -8.872 1.00 0.00 C ATOM 560 O SER A 40 6.262 1.213 -8.577 1.00 0.00 O ATOM 561 CB SER A 40 3.904 0.373 -6.749 1.00 0.00 C ATOM 562 OG SER A 40 2.713 1.044 -7.123 1.00 0.00 O ATOM 0 H SER A 40 6.188 -0.968 -6.821 1.00 0.00 H new ATOM 0 HA SER A 40 3.759 -0.857 -8.505 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.685 -0.354 -5.967 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.612 1.088 -6.330 1.00 0.00 H new ATOM 0 HG SER A 40 1.993 0.801 -6.504 1.00 0.00 H new ATOM 568 N SER A 41 4.531 0.969 -9.993 1.00 0.00 N ATOM 569 CA SER A 41 5.047 1.927 -10.964 1.00 0.00 C ATOM 570 C SER A 41 4.206 3.200 -10.970 1.00 0.00 C ATOM 571 O SER A 41 4.718 4.296 -10.749 1.00 0.00 O ATOM 572 CB SER A 41 5.066 1.308 -12.363 1.00 0.00 C ATOM 573 OG SER A 41 5.831 2.095 -13.258 1.00 0.00 O ATOM 0 H SER A 41 3.639 0.546 -10.251 1.00 0.00 H new ATOM 0 HA SER A 41 6.066 2.186 -10.676 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.481 0.301 -12.313 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.046 1.214 -12.737 1.00 0.00 H new ATOM 0 HG SER A 41 5.829 1.677 -14.145 1.00 0.00 H new ATOM 579 N GLY A 42 2.911 3.045 -11.226 1.00 0.00 N ATOM 580 CA GLY A 42 2.019 4.189 -11.257 1.00 0.00 C ATOM 581 C GLY A 42 1.563 4.531 -12.661 1.00 0.00 C ATOM 582 O GLY A 42 0.466 5.065 -12.822 1.00 0.00 O ATOM 0 H GLY A 42 2.464 2.148 -11.413 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.148 3.983 -10.635 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.524 5.051 -10.822 1.00 0.00 H new TER 586 GLY A 42 HETATM 587 ZN ZN A 201 -1.657 2.166 -2.058 1.00 0.00 ZN