USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=11 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 29 HIS HE2 : A 29 HIS NE2 : A 201 ZNZN :(H bumps) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 67:sc= 0.422 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0701 K(o=-0.07,f=-1.8!) USER MOD Single : A 9 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.303) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.0909 USER MOD Single : A 14 ASN : amide:sc= -0.153 K(o=-0.15,f=-1.8) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.25) USER MOD Single : A 34 THR OG1 : rot -34:sc= 1.06 USER MOD Single : A 37 SER OG : rot 180:sc= -0.0594 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -91:sc= 0.215 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.187 -15.587 10.469 1.00 0.00 N ATOM 2 CA GLY A 1 -6.279 -14.759 9.697 1.00 0.00 C ATOM 3 C GLY A 1 -6.665 -13.294 9.724 1.00 0.00 C ATOM 4 O GLY A 1 -6.715 -12.639 8.683 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.880 -16.579 10.419 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.184 -15.274 11.461 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.148 -15.502 10.082 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.268 -14.872 10.088 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.263 -15.108 8.665 1.00 0.00 H new ATOM 8 N SER A 2 -6.941 -12.778 10.918 1.00 0.00 N ATOM 9 CA SER A 2 -7.331 -11.382 11.075 1.00 0.00 C ATOM 10 C SER A 2 -7.041 -10.893 12.491 1.00 0.00 C ATOM 11 O SER A 2 -7.076 -11.669 13.447 1.00 0.00 O ATOM 12 CB SER A 2 -8.817 -11.206 10.758 1.00 0.00 C ATOM 13 OG SER A 2 -9.626 -11.778 11.772 1.00 0.00 O ATOM 0 H SER A 2 -6.902 -13.306 11.790 1.00 0.00 H new ATOM 0 HA SER A 2 -6.745 -10.786 10.375 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.048 -10.145 10.659 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.045 -11.672 9.800 1.00 0.00 H new ATOM 0 HG SER A 2 -10.571 -11.651 11.547 1.00 0.00 H new ATOM 19 N SER A 3 -6.753 -9.602 12.618 1.00 0.00 N ATOM 20 CA SER A 3 -6.452 -9.009 13.916 1.00 0.00 C ATOM 21 C SER A 3 -7.335 -7.792 14.174 1.00 0.00 C ATOM 22 O SER A 3 -8.082 -7.749 15.151 1.00 0.00 O ATOM 23 CB SER A 3 -4.978 -8.609 13.988 1.00 0.00 C ATOM 24 OG SER A 3 -4.137 -9.690 13.624 1.00 0.00 O ATOM 0 H SER A 3 -6.722 -8.946 11.838 1.00 0.00 H new ATOM 0 HA SER A 3 -6.656 -9.754 14.685 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.795 -7.763 13.326 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.736 -8.281 14.999 1.00 0.00 H new ATOM 0 HG SER A 3 -3.200 -9.408 13.677 1.00 0.00 H new ATOM 30 N GLY A 4 -7.243 -6.803 13.290 1.00 0.00 N ATOM 31 CA GLY A 4 -8.037 -5.598 13.440 1.00 0.00 C ATOM 32 C GLY A 4 -8.308 -4.913 12.115 1.00 0.00 C ATOM 33 O GLY A 4 -8.009 -3.731 11.947 1.00 0.00 O ATOM 0 H GLY A 4 -6.633 -6.815 12.473 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.985 -5.848 13.917 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.519 -4.906 14.104 1.00 0.00 H new ATOM 37 N SER A 5 -8.873 -5.659 11.170 1.00 0.00 N ATOM 38 CA SER A 5 -9.178 -5.118 9.851 1.00 0.00 C ATOM 39 C SER A 5 -10.684 -5.108 9.603 1.00 0.00 C ATOM 40 O SER A 5 -11.145 -5.421 8.506 1.00 0.00 O ATOM 41 CB SER A 5 -8.477 -5.937 8.766 1.00 0.00 C ATOM 42 OG SER A 5 -9.130 -7.178 8.561 1.00 0.00 O ATOM 0 H SER A 5 -9.128 -6.639 11.294 1.00 0.00 H new ATOM 0 HA SER A 5 -8.814 -4.091 9.814 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.461 -5.373 7.834 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.439 -6.111 9.051 1.00 0.00 H new ATOM 0 HG SER A 5 -10.021 -7.021 8.185 1.00 0.00 H new ATOM 48 N SER A 6 -11.444 -4.746 10.631 1.00 0.00 N ATOM 49 CA SER A 6 -12.898 -4.699 10.528 1.00 0.00 C ATOM 50 C SER A 6 -13.441 -3.393 11.102 1.00 0.00 C ATOM 51 O SER A 6 -12.950 -2.895 12.114 1.00 0.00 O ATOM 52 CB SER A 6 -13.521 -5.889 11.259 1.00 0.00 C ATOM 53 OG SER A 6 -13.603 -5.645 12.653 1.00 0.00 O ATOM 0 H SER A 6 -11.077 -4.481 11.545 1.00 0.00 H new ATOM 0 HA SER A 6 -13.165 -4.751 9.472 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.517 -6.083 10.861 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.925 -6.784 11.078 1.00 0.00 H new ATOM 0 HG SER A 6 -14.006 -6.420 13.098 1.00 0.00 H new ATOM 59 N GLY A 7 -14.459 -2.844 10.445 1.00 0.00 N ATOM 60 CA GLY A 7 -15.053 -1.602 10.904 1.00 0.00 C ATOM 61 C GLY A 7 -15.186 -0.579 9.793 1.00 0.00 C ATOM 62 O GLY A 7 -15.732 -0.876 8.731 1.00 0.00 O ATOM 0 H GLY A 7 -14.882 -3.237 9.604 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.037 -1.807 11.325 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.444 -1.186 11.706 1.00 0.00 H new ATOM 66 N GLN A 8 -14.688 0.629 10.039 1.00 0.00 N ATOM 67 CA GLN A 8 -14.758 1.699 9.052 1.00 0.00 C ATOM 68 C GLN A 8 -13.376 2.289 8.791 1.00 0.00 C ATOM 69 O GLN A 8 -12.679 2.701 9.719 1.00 0.00 O ATOM 70 CB GLN A 8 -15.713 2.796 9.524 1.00 0.00 C ATOM 71 CG GLN A 8 -15.201 3.573 10.726 1.00 0.00 C ATOM 72 CD GLN A 8 -16.306 4.305 11.461 1.00 0.00 C ATOM 73 OE1 GLN A 8 -17.491 4.064 11.226 1.00 0.00 O ATOM 74 NE2 GLN A 8 -15.924 5.207 12.358 1.00 0.00 N ATOM 0 H GLN A 8 -14.232 0.890 10.913 1.00 0.00 H new ATOM 0 HA GLN A 8 -15.135 1.276 8.121 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -15.891 3.490 8.702 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -16.674 2.346 9.775 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -14.705 2.887 11.413 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -14.451 4.292 10.397 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.931 5.375 12.521 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -16.623 5.731 12.884 1.00 0.00 H new ATOM 83 N LYS A 9 -12.984 2.328 7.522 1.00 0.00 N ATOM 84 CA LYS A 9 -11.686 2.868 7.137 1.00 0.00 C ATOM 85 C LYS A 9 -11.848 4.038 6.172 1.00 0.00 C ATOM 86 O LYS A 9 -11.997 3.860 4.963 1.00 0.00 O ATOM 87 CB LYS A 9 -10.826 1.778 6.494 1.00 0.00 C ATOM 88 CG LYS A 9 -10.424 0.674 7.457 1.00 0.00 C ATOM 89 CD LYS A 9 -9.383 -0.248 6.844 1.00 0.00 C ATOM 90 CE LYS A 9 -9.512 -1.667 7.378 1.00 0.00 C ATOM 91 NZ LYS A 9 -8.285 -2.471 7.118 1.00 0.00 N ATOM 0 H LYS A 9 -13.548 1.991 6.742 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.190 3.229 8.038 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.374 1.340 5.660 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.926 2.233 6.080 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.028 1.114 8.372 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.304 0.095 7.737 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.494 -0.255 5.760 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.385 0.134 7.060 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.705 -1.635 8.450 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.370 -2.153 6.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.199 -3.215 7.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.349 -2.907 6.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.450 -1.852 7.157 1.00 0.00 H new ATOM 105 N PRO A 10 -11.817 5.264 6.715 1.00 0.00 N ATOM 106 CA PRO A 10 -11.957 6.487 5.919 1.00 0.00 C ATOM 107 C PRO A 10 -10.743 6.742 5.032 1.00 0.00 C ATOM 108 O PRO A 10 -10.878 7.190 3.893 1.00 0.00 O ATOM 109 CB PRO A 10 -12.087 7.585 6.976 1.00 0.00 C ATOM 110 CG PRO A 10 -11.405 7.035 8.181 1.00 0.00 C ATOM 111 CD PRO A 10 -11.642 5.550 8.149 1.00 0.00 C ATOM 0 HA PRO A 10 -12.803 6.434 5.234 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.618 8.511 6.644 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -13.133 7.813 7.183 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.339 7.261 8.163 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.809 7.475 9.093 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.800 4.999 8.569 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.524 5.271 8.725 1.00 0.00 H new ATOM 119 N TYR A 11 -9.559 6.455 5.560 1.00 0.00 N ATOM 120 CA TYR A 11 -8.321 6.656 4.816 1.00 0.00 C ATOM 121 C TYR A 11 -8.161 5.599 3.728 1.00 0.00 C ATOM 122 O TYR A 11 -7.763 4.466 4.000 1.00 0.00 O ATOM 123 CB TYR A 11 -7.120 6.615 5.763 1.00 0.00 C ATOM 124 CG TYR A 11 -7.281 7.493 6.983 1.00 0.00 C ATOM 125 CD1 TYR A 11 -7.971 7.042 8.102 1.00 0.00 C ATOM 126 CD2 TYR A 11 -6.744 8.774 7.018 1.00 0.00 C ATOM 127 CE1 TYR A 11 -8.122 7.841 9.219 1.00 0.00 C ATOM 128 CE2 TYR A 11 -6.888 9.579 8.131 1.00 0.00 C ATOM 129 CZ TYR A 11 -7.578 9.108 9.229 1.00 0.00 C ATOM 130 OH TYR A 11 -7.724 9.908 10.339 1.00 0.00 O ATOM 0 H TYR A 11 -9.430 6.082 6.501 1.00 0.00 H new ATOM 0 HA TYR A 11 -8.368 7.636 4.341 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -6.957 5.586 6.085 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -6.228 6.924 5.218 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -8.397 6.049 8.098 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -6.205 9.147 6.160 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -8.663 7.475 10.079 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -6.463 10.572 8.142 1.00 0.00 H new ATOM 0 HH TYR A 11 -7.281 10.768 10.183 1.00 0.00 H new ATOM 140 N VAL A 12 -8.475 5.978 2.493 1.00 0.00 N ATOM 141 CA VAL A 12 -8.365 5.064 1.362 1.00 0.00 C ATOM 142 C VAL A 12 -7.312 5.543 0.370 1.00 0.00 C ATOM 143 O VAL A 12 -7.323 6.698 -0.055 1.00 0.00 O ATOM 144 CB VAL A 12 -9.712 4.912 0.631 1.00 0.00 C ATOM 145 CG1 VAL A 12 -9.568 3.987 -0.567 1.00 0.00 C ATOM 146 CG2 VAL A 12 -10.781 4.400 1.585 1.00 0.00 C ATOM 0 H VAL A 12 -8.807 6.911 2.250 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.067 4.096 1.764 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.021 5.892 0.268 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.530 3.892 -1.071 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.835 4.400 -1.260 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.236 3.005 -0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.726 4.299 1.052 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.481 3.429 1.980 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.902 5.105 2.408 1.00 0.00 H new ATOM 156 N CYS A 13 -6.402 4.646 0.003 1.00 0.00 N ATOM 157 CA CYS A 13 -5.340 4.975 -0.940 1.00 0.00 C ATOM 158 C CYS A 13 -5.912 5.248 -2.329 1.00 0.00 C ATOM 159 O CYS A 13 -6.645 4.429 -2.881 1.00 0.00 O ATOM 160 CB CYS A 13 -4.321 3.837 -1.011 1.00 0.00 C ATOM 161 SG CYS A 13 -2.655 4.361 -1.529 1.00 0.00 S ATOM 0 H CYS A 13 -6.379 3.685 0.345 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.842 5.878 -0.587 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.253 3.363 -0.032 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.685 3.081 -1.707 1.00 0.00 H new ATOM 166 N ASN A 14 -5.570 6.405 -2.887 1.00 0.00 N ATOM 167 CA ASN A 14 -6.048 6.786 -4.211 1.00 0.00 C ATOM 168 C ASN A 14 -5.155 6.202 -5.301 1.00 0.00 C ATOM 169 O ASN A 14 -5.337 6.487 -6.484 1.00 0.00 O ATOM 170 CB ASN A 14 -6.099 8.310 -4.338 1.00 0.00 C ATOM 171 CG ASN A 14 -6.901 8.957 -3.226 1.00 0.00 C ATOM 172 OD1 ASN A 14 -6.526 8.891 -2.056 1.00 0.00 O ATOM 173 ND2 ASN A 14 -8.013 9.586 -3.589 1.00 0.00 N ATOM 0 H ASN A 14 -4.964 7.095 -2.443 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.053 6.384 -4.337 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.084 8.707 -4.328 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -6.536 8.577 -5.300 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.595 10.040 -2.885 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.285 9.615 -4.572 1.00 0.00 H new ATOM 180 N GLU A 15 -4.189 5.384 -4.893 1.00 0.00 N ATOM 181 CA GLU A 15 -3.268 4.761 -5.836 1.00 0.00 C ATOM 182 C GLU A 15 -3.685 3.325 -6.136 1.00 0.00 C ATOM 183 O GLU A 15 -3.817 2.934 -7.296 1.00 0.00 O ATOM 184 CB GLU A 15 -1.842 4.784 -5.280 1.00 0.00 C ATOM 185 CG GLU A 15 -1.183 6.151 -5.352 1.00 0.00 C ATOM 186 CD GLU A 15 -2.053 7.250 -4.773 1.00 0.00 C ATOM 187 OE1 GLU A 15 -2.395 7.166 -3.575 1.00 0.00 O ATOM 188 OE2 GLU A 15 -2.391 8.193 -5.518 1.00 0.00 O ATOM 0 H GLU A 15 -4.024 5.138 -3.917 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.298 5.331 -6.765 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.860 4.453 -4.242 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.234 4.067 -5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.235 6.122 -4.814 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.953 6.385 -6.391 1.00 0.00 H new ATOM 195 N CYS A 16 -3.892 2.542 -5.081 1.00 0.00 N ATOM 196 CA CYS A 16 -4.294 1.149 -5.230 1.00 0.00 C ATOM 197 C CYS A 16 -5.716 0.936 -4.721 1.00 0.00 C ATOM 198 O CYS A 16 -6.480 0.156 -5.290 1.00 0.00 O ATOM 199 CB CYS A 16 -3.328 0.235 -4.473 1.00 0.00 C ATOM 200 SG CYS A 16 -3.192 0.606 -2.695 1.00 0.00 S ATOM 0 H CYS A 16 -3.788 2.850 -4.114 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.265 0.900 -6.291 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.653 -0.798 -4.594 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.340 0.314 -4.926 1.00 0.00 H new ATOM 205 N GLY A 17 -6.066 1.635 -3.646 1.00 0.00 N ATOM 206 CA GLY A 17 -7.396 1.509 -3.079 1.00 0.00 C ATOM 207 C GLY A 17 -7.383 0.858 -1.710 1.00 0.00 C ATOM 208 O GLY A 17 -8.417 0.400 -1.222 1.00 0.00 O ATOM 0 H GLY A 17 -5.452 2.287 -3.157 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.851 2.497 -3.004 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.020 0.921 -3.752 1.00 0.00 H new ATOM 212 N LYS A 18 -6.210 0.814 -1.089 1.00 0.00 N ATOM 213 CA LYS A 18 -6.065 0.213 0.232 1.00 0.00 C ATOM 214 C LYS A 18 -6.590 1.149 1.316 1.00 0.00 C ATOM 215 O LYS A 18 -6.168 2.301 1.413 1.00 0.00 O ATOM 216 CB LYS A 18 -4.597 -0.125 0.503 1.00 0.00 C ATOM 217 CG LYS A 18 -4.408 -1.344 1.389 1.00 0.00 C ATOM 218 CD LYS A 18 -3.045 -1.982 1.176 1.00 0.00 C ATOM 219 CE LYS A 18 -2.848 -3.190 2.079 1.00 0.00 C ATOM 220 NZ LYS A 18 -3.538 -4.398 1.549 1.00 0.00 N ATOM 0 H LYS A 18 -5.345 1.188 -1.479 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.653 -0.705 0.253 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.090 -0.295 -0.447 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.116 0.733 0.972 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.516 -1.055 2.435 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.189 -2.074 1.177 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.943 -2.285 0.134 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.264 -1.248 1.373 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.783 -3.396 2.182 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.227 -2.964 3.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.379 -5.199 2.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.558 -4.210 1.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.159 -4.630 0.609 1.00 0.00 H new ATOM 234 N ALA A 19 -7.513 0.646 2.129 1.00 0.00 N ATOM 235 CA ALA A 19 -8.093 1.436 3.208 1.00 0.00 C ATOM 236 C ALA A 19 -7.364 1.187 4.524 1.00 0.00 C ATOM 237 O ALA A 19 -6.859 0.091 4.768 1.00 0.00 O ATOM 238 CB ALA A 19 -9.574 1.123 3.355 1.00 0.00 C ATOM 0 H ALA A 19 -7.875 -0.305 2.061 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.980 2.490 2.954 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -9.994 1.720 4.165 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.090 1.360 2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.701 0.064 3.582 1.00 0.00 H new ATOM 244 N PHE A 20 -7.314 2.210 5.371 1.00 0.00 N ATOM 245 CA PHE A 20 -6.645 2.102 6.662 1.00 0.00 C ATOM 246 C PHE A 20 -7.430 2.837 7.744 1.00 0.00 C ATOM 247 O PHE A 20 -7.520 4.064 7.737 1.00 0.00 O ATOM 248 CB PHE A 20 -5.226 2.667 6.574 1.00 0.00 C ATOM 249 CG PHE A 20 -4.425 2.101 5.436 1.00 0.00 C ATOM 250 CD1 PHE A 20 -4.636 2.539 4.138 1.00 0.00 C ATOM 251 CD2 PHE A 20 -3.462 1.132 5.663 1.00 0.00 C ATOM 252 CE1 PHE A 20 -3.901 2.021 3.089 1.00 0.00 C ATOM 253 CE2 PHE A 20 -2.723 0.610 4.618 1.00 0.00 C ATOM 254 CZ PHE A 20 -2.944 1.055 3.329 1.00 0.00 C ATOM 0 H PHE A 20 -7.729 3.123 5.186 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.593 1.046 6.929 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.281 3.750 6.466 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.705 2.466 7.510 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.384 3.294 3.944 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.286 0.780 6.669 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.075 2.371 2.082 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.974 -0.144 4.809 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.369 0.648 2.510 1.00 0.00 H new ATOM 264 N GLY A 21 -7.999 2.076 8.675 1.00 0.00 N ATOM 265 CA GLY A 21 -8.770 2.671 9.751 1.00 0.00 C ATOM 266 C GLY A 21 -8.044 3.823 10.416 1.00 0.00 C ATOM 267 O GLY A 21 -8.658 4.637 11.107 1.00 0.00 O ATOM 0 H GLY A 21 -7.939 1.058 8.703 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.723 3.025 9.358 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.996 1.909 10.497 1.00 0.00 H new ATOM 271 N LEU A 22 -6.734 3.894 10.208 1.00 0.00 N ATOM 272 CA LEU A 22 -5.922 4.955 10.795 1.00 0.00 C ATOM 273 C LEU A 22 -5.266 5.802 9.709 1.00 0.00 C ATOM 274 O LEU A 22 -5.043 5.334 8.592 1.00 0.00 O ATOM 275 CB LEU A 22 -4.851 4.358 11.709 1.00 0.00 C ATOM 276 CG LEU A 22 -5.237 4.199 13.180 1.00 0.00 C ATOM 277 CD1 LEU A 22 -4.114 3.529 13.957 1.00 0.00 C ATOM 278 CD2 LEU A 22 -5.578 5.551 13.791 1.00 0.00 C ATOM 0 H LEU A 22 -6.211 3.230 9.637 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.577 5.597 11.384 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.574 3.379 11.319 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.962 4.987 11.653 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.121 3.563 13.237 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.407 3.424 15.002 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.917 2.544 13.535 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.213 4.138 13.892 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.850 5.419 14.838 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.713 6.210 13.722 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.415 5.993 13.251 1.00 0.00 H new ATOM 290 N LYS A 23 -4.958 7.050 10.044 1.00 0.00 N ATOM 291 CA LYS A 23 -4.324 7.962 9.100 1.00 0.00 C ATOM 292 C LYS A 23 -2.881 7.547 8.828 1.00 0.00 C ATOM 293 O LYS A 23 -2.549 7.111 7.726 1.00 0.00 O ATOM 294 CB LYS A 23 -4.361 9.394 9.640 1.00 0.00 C ATOM 295 CG LYS A 23 -3.986 10.443 8.607 1.00 0.00 C ATOM 296 CD LYS A 23 -4.317 11.844 9.091 1.00 0.00 C ATOM 297 CE LYS A 23 -3.825 12.902 8.114 1.00 0.00 C ATOM 298 NZ LYS A 23 -4.286 14.266 8.494 1.00 0.00 N ATOM 0 H LYS A 23 -5.137 7.453 10.963 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.879 7.919 8.163 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.362 9.606 10.014 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.680 9.471 10.488 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.920 10.375 8.388 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.516 10.244 7.676 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.395 11.940 9.221 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.862 12.010 10.068 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.736 12.884 8.078 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.181 12.664 7.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.930 14.958 7.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.326 14.291 8.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.925 14.504 9.440 1.00 0.00 H new ATOM 312 N SER A 24 -2.030 7.685 9.839 1.00 0.00 N ATOM 313 CA SER A 24 -0.623 7.326 9.708 1.00 0.00 C ATOM 314 C SER A 24 -0.466 6.009 8.954 1.00 0.00 C ATOM 315 O SER A 24 0.457 5.846 8.156 1.00 0.00 O ATOM 316 CB SER A 24 0.029 7.218 11.088 1.00 0.00 C ATOM 317 OG SER A 24 0.526 8.474 11.517 1.00 0.00 O ATOM 0 H SER A 24 -2.290 8.043 10.758 1.00 0.00 H new ATOM 0 HA SER A 24 -0.125 8.111 9.140 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.699 6.846 11.809 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.843 6.494 11.053 1.00 0.00 H new ATOM 0 HG SER A 24 0.936 8.379 12.402 1.00 0.00 H new ATOM 323 N GLN A 25 -1.373 5.074 9.214 1.00 0.00 N ATOM 324 CA GLN A 25 -1.336 3.771 8.560 1.00 0.00 C ATOM 325 C GLN A 25 -1.284 3.924 7.044 1.00 0.00 C ATOM 326 O GLN A 25 -0.521 3.235 6.365 1.00 0.00 O ATOM 327 CB GLN A 25 -2.557 2.941 8.960 1.00 0.00 C ATOM 328 CG GLN A 25 -2.525 2.469 10.405 1.00 0.00 C ATOM 329 CD GLN A 25 -1.262 1.699 10.739 1.00 0.00 C ATOM 330 OE1 GLN A 25 -0.882 0.769 10.027 1.00 0.00 O ATOM 331 NE2 GLN A 25 -0.605 2.083 11.827 1.00 0.00 N ATOM 0 H GLN A 25 -2.143 5.194 9.873 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.433 3.255 8.885 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.457 3.534 8.800 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.627 2.073 8.304 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.606 3.331 11.067 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.393 1.837 10.596 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.957 2.859 12.388 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.251 1.602 12.102 1.00 0.00 H new ATOM 340 N LEU A 26 -2.101 4.829 6.517 1.00 0.00 N ATOM 341 CA LEU A 26 -2.150 5.072 5.080 1.00 0.00 C ATOM 342 C LEU A 26 -0.940 5.881 4.623 1.00 0.00 C ATOM 343 O LEU A 26 -0.357 5.607 3.574 1.00 0.00 O ATOM 344 CB LEU A 26 -3.438 5.809 4.710 1.00 0.00 C ATOM 345 CG LEU A 26 -3.501 6.383 3.294 1.00 0.00 C ATOM 346 CD1 LEU A 26 -3.714 5.273 2.277 1.00 0.00 C ATOM 347 CD2 LEU A 26 -4.605 7.425 3.189 1.00 0.00 C ATOM 0 H LEU A 26 -2.739 5.407 7.064 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.132 4.107 4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.275 5.123 4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.582 6.625 5.418 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.550 6.868 3.077 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.756 5.701 1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.888 4.564 2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.650 4.758 2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.635 7.822 2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.564 6.964 3.427 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.408 8.236 3.891 1.00 0.00 H new ATOM 359 N ILE A 27 -0.566 6.878 5.419 1.00 0.00 N ATOM 360 CA ILE A 27 0.577 7.724 5.099 1.00 0.00 C ATOM 361 C ILE A 27 1.828 6.887 4.852 1.00 0.00 C ATOM 362 O ILE A 27 2.587 7.149 3.918 1.00 0.00 O ATOM 363 CB ILE A 27 0.863 8.734 6.225 1.00 0.00 C ATOM 364 CG1 ILE A 27 -0.441 9.369 6.713 1.00 0.00 C ATOM 365 CG2 ILE A 27 1.831 9.804 5.743 1.00 0.00 C ATOM 366 CD1 ILE A 27 -0.230 10.576 7.601 1.00 0.00 C ATOM 0 H ILE A 27 -1.038 7.119 6.290 1.00 0.00 H new ATOM 0 HA ILE A 27 0.322 8.269 4.190 1.00 0.00 H new ATOM 0 HB ILE A 27 1.323 8.205 7.060 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.038 9.663 5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.017 8.622 7.259 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.023 10.511 6.550 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.768 9.337 5.439 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.396 10.332 4.894 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.197 10.974 7.909 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.340 10.284 8.483 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.319 11.341 7.051 1.00 0.00 H new ATOM 378 N ILE A 28 2.035 5.880 5.693 1.00 0.00 N ATOM 379 CA ILE A 28 3.192 5.004 5.564 1.00 0.00 C ATOM 380 C ILE A 28 3.066 4.103 4.341 1.00 0.00 C ATOM 381 O ILE A 28 4.061 3.768 3.697 1.00 0.00 O ATOM 382 CB ILE A 28 3.377 4.127 6.817 1.00 0.00 C ATOM 383 CG1 ILE A 28 3.488 5.002 8.067 1.00 0.00 C ATOM 384 CG2 ILE A 28 4.608 3.245 6.669 1.00 0.00 C ATOM 385 CD1 ILE A 28 2.987 4.326 9.324 1.00 0.00 C ATOM 0 H ILE A 28 1.417 5.651 6.471 1.00 0.00 H new ATOM 0 HA ILE A 28 4.064 5.648 5.449 1.00 0.00 H new ATOM 0 HB ILE A 28 2.504 3.483 6.924 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.530 5.288 8.209 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.924 5.921 7.909 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.725 2.631 7.562 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.491 2.600 5.798 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.491 3.871 6.540 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.096 5.004 10.170 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.936 4.064 9.202 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.567 3.422 9.507 1.00 0.00 H new ATOM 397 N HIS A 29 1.835 3.714 4.023 1.00 0.00 N ATOM 398 CA HIS A 29 1.577 2.853 2.874 1.00 0.00 C ATOM 399 C HIS A 29 1.825 3.602 1.568 1.00 0.00 C ATOM 400 O HIS A 29 2.568 3.134 0.706 1.00 0.00 O ATOM 401 CB HIS A 29 0.140 2.332 2.913 1.00 0.00 C ATOM 402 CG HIS A 29 -0.288 1.663 1.643 1.00 0.00 C ATOM 403 ND1 HIS A 29 0.029 0.356 1.337 1.00 0.00 N ATOM 404 CD2 HIS A 29 -1.015 2.126 0.599 1.00 0.00 C ATOM 405 CE1 HIS A 29 -0.482 0.045 0.160 1.00 0.00 C ATOM 406 NE2 HIS A 29 -1.121 1.102 -0.309 1.00 0.00 N ATOM 0 H HIS A 29 1.001 3.981 4.545 1.00 0.00 H new ATOM 0 HA HIS A 29 2.263 2.007 2.923 1.00 0.00 H new ATOM 0 HB2 HIS A 29 0.040 1.626 3.738 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.534 3.163 3.121 1.00 0.00 H new ATOM 0 HD1 HIS A 29 0.573 -0.272 1.928 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.434 3.117 0.499 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.393 -0.911 -0.335 1.00 0.00 H new ATOM 414 N GLU A 30 1.197 4.765 1.430 1.00 0.00 N ATOM 415 CA GLU A 30 1.349 5.577 0.228 1.00 0.00 C ATOM 416 C GLU A 30 2.823 5.746 -0.131 1.00 0.00 C ATOM 417 O GLU A 30 3.160 6.087 -1.265 1.00 0.00 O ATOM 418 CB GLU A 30 0.701 6.948 0.427 1.00 0.00 C ATOM 419 CG GLU A 30 -0.784 6.880 0.743 1.00 0.00 C ATOM 420 CD GLU A 30 -1.342 8.208 1.215 1.00 0.00 C ATOM 421 OE1 GLU A 30 -1.229 8.504 2.423 1.00 0.00 O ATOM 422 OE2 GLU A 30 -1.891 8.952 0.376 1.00 0.00 O ATOM 0 H GLU A 30 0.578 5.166 2.135 1.00 0.00 H new ATOM 0 HA GLU A 30 0.849 5.063 -0.593 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.213 7.468 1.237 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.845 7.543 -0.475 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.326 6.558 -0.146 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.954 6.125 1.511 1.00 0.00 H new ATOM 429 N ARG A 31 3.695 5.505 0.842 1.00 0.00 N ATOM 430 CA ARG A 31 5.131 5.633 0.630 1.00 0.00 C ATOM 431 C ARG A 31 5.592 4.741 -0.520 1.00 0.00 C ATOM 432 O ARG A 31 6.542 5.070 -1.231 1.00 0.00 O ATOM 433 CB ARG A 31 5.891 5.269 1.907 1.00 0.00 C ATOM 434 CG ARG A 31 5.545 6.152 3.094 1.00 0.00 C ATOM 435 CD ARG A 31 6.477 5.898 4.268 1.00 0.00 C ATOM 436 NE ARG A 31 7.868 6.193 3.937 1.00 0.00 N ATOM 437 CZ ARG A 31 8.756 6.637 4.820 1.00 0.00 C ATOM 438 NH1 ARG A 31 8.399 6.836 6.081 1.00 0.00 N ATOM 439 NH2 ARG A 31 10.004 6.883 4.442 1.00 0.00 N ATOM 0 H ARG A 31 3.432 5.220 1.785 1.00 0.00 H new ATOM 0 HA ARG A 31 5.344 6.670 0.371 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.678 4.231 2.163 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.962 5.337 1.714 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.606 7.200 2.800 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.515 5.966 3.399 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.168 6.511 5.115 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.392 4.857 4.580 1.00 0.00 H new ATOM 0 HE ARG A 31 8.175 6.050 2.975 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.441 6.648 6.375 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.083 7.177 6.757 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.283 6.731 3.473 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.685 7.224 5.121 1.00 0.00 H new ATOM 453 N ILE A 32 4.912 3.613 -0.696 1.00 0.00 N ATOM 454 CA ILE A 32 5.251 2.676 -1.760 1.00 0.00 C ATOM 455 C ILE A 32 5.107 3.326 -3.132 1.00 0.00 C ATOM 456 O ILE A 32 5.830 2.987 -4.070 1.00 0.00 O ATOM 457 CB ILE A 32 4.365 1.418 -1.705 1.00 0.00 C ATOM 458 CG1 ILE A 32 2.929 1.761 -2.107 1.00 0.00 C ATOM 459 CG2 ILE A 32 4.399 0.806 -0.312 1.00 0.00 C ATOM 460 CD1 ILE A 32 2.018 0.555 -2.182 1.00 0.00 C ATOM 0 H ILE A 32 4.124 3.326 -0.116 1.00 0.00 H new ATOM 0 HA ILE A 32 6.290 2.386 -1.606 1.00 0.00 H new ATOM 0 HB ILE A 32 4.755 0.686 -2.412 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.519 2.472 -1.389 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.941 2.258 -3.077 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.768 -0.082 -0.289 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.423 0.530 -0.061 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.030 1.531 0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.017 0.873 -2.472 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.404 -0.147 -2.921 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.976 0.069 -1.207 1.00 0.00 H new ATOM 472 N HIS A 33 4.171 4.263 -3.242 1.00 0.00 N ATOM 473 CA HIS A 33 3.934 4.963 -4.499 1.00 0.00 C ATOM 474 C HIS A 33 4.817 6.202 -4.606 1.00 0.00 C ATOM 475 O HIS A 33 5.426 6.457 -5.646 1.00 0.00 O ATOM 476 CB HIS A 33 2.462 5.359 -4.617 1.00 0.00 C ATOM 477 CG HIS A 33 1.516 4.216 -4.416 1.00 0.00 C ATOM 478 ND1 HIS A 33 1.519 3.088 -5.210 1.00 0.00 N ATOM 479 CD2 HIS A 33 0.533 4.029 -3.504 1.00 0.00 C ATOM 480 CE1 HIS A 33 0.579 2.258 -4.795 1.00 0.00 C ATOM 481 NE2 HIS A 33 -0.034 2.806 -3.761 1.00 0.00 N ATOM 0 H HIS A 33 3.564 4.555 -2.476 1.00 0.00 H new ATOM 0 HA HIS A 33 4.187 4.287 -5.316 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.243 6.134 -3.883 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.289 5.794 -5.601 1.00 0.00 H new ATOM 0 HD1 HIS A 33 2.149 2.921 -5.995 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.248 4.715 -2.720 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.350 1.295 -5.227 1.00 0.00 H new ATOM 489 N THR A 34 4.882 6.972 -3.524 1.00 0.00 N ATOM 490 CA THR A 34 5.689 8.185 -3.496 1.00 0.00 C ATOM 491 C THR A 34 7.034 7.967 -4.178 1.00 0.00 C ATOM 492 O THR A 34 7.652 8.910 -4.671 1.00 0.00 O ATOM 493 CB THR A 34 5.930 8.667 -2.053 1.00 0.00 C ATOM 494 OG1 THR A 34 6.752 7.726 -1.353 1.00 0.00 O ATOM 495 CG2 THR A 34 4.612 8.844 -1.314 1.00 0.00 C ATOM 0 H THR A 34 4.385 6.776 -2.655 1.00 0.00 H new ATOM 0 HA THR A 34 5.130 8.948 -4.037 1.00 0.00 H new ATOM 0 HB THR A 34 6.437 9.631 -2.096 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.549 6.819 -1.664 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.808 9.185 -0.297 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.000 9.582 -1.833 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.082 7.892 -1.282 1.00 0.00 H new ATOM 503 N GLY A 35 7.484 6.715 -4.204 1.00 0.00 N ATOM 504 CA GLY A 35 8.754 6.396 -4.829 1.00 0.00 C ATOM 505 C GLY A 35 8.755 5.022 -5.470 1.00 0.00 C ATOM 506 O GLY A 35 7.970 4.154 -5.092 1.00 0.00 O ATOM 0 H GLY A 35 6.991 5.917 -3.803 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.982 7.147 -5.586 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.546 6.446 -4.082 1.00 0.00 H new ATOM 510 N GLU A 36 9.639 4.826 -6.443 1.00 0.00 N ATOM 511 CA GLU A 36 9.737 3.548 -7.139 1.00 0.00 C ATOM 512 C GLU A 36 10.699 2.608 -6.418 1.00 0.00 C ATOM 513 O GLU A 36 11.794 3.007 -6.023 1.00 0.00 O ATOM 514 CB GLU A 36 10.200 3.761 -8.582 1.00 0.00 C ATOM 515 CG GLU A 36 11.524 4.498 -8.693 1.00 0.00 C ATOM 516 CD GLU A 36 11.353 6.005 -8.717 1.00 0.00 C ATOM 517 OE1 GLU A 36 10.358 6.479 -9.305 1.00 0.00 O ATOM 518 OE2 GLU A 36 12.213 6.710 -8.149 1.00 0.00 O ATOM 0 H GLU A 36 10.297 5.535 -6.767 1.00 0.00 H new ATOM 0 HA GLU A 36 8.747 3.091 -7.147 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.291 2.792 -9.072 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.436 4.321 -9.121 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.161 4.222 -7.853 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.038 4.180 -9.600 1.00 0.00 H new ATOM 525 N SER A 37 10.281 1.357 -6.250 1.00 0.00 N ATOM 526 CA SER A 37 11.102 0.361 -5.573 1.00 0.00 C ATOM 527 C SER A 37 12.309 -0.018 -6.425 1.00 0.00 C ATOM 528 O SER A 37 13.452 0.077 -5.981 1.00 0.00 O ATOM 529 CB SER A 37 10.274 -0.886 -5.258 1.00 0.00 C ATOM 530 OG SER A 37 9.633 -1.379 -6.422 1.00 0.00 O ATOM 0 H SER A 37 9.378 1.010 -6.574 1.00 0.00 H new ATOM 0 HA SER A 37 11.460 0.795 -4.640 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.919 -1.659 -4.839 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.527 -0.649 -4.500 1.00 0.00 H new ATOM 0 HG SER A 37 9.111 -2.177 -6.195 1.00 0.00 H new ATOM 536 N GLY A 38 12.045 -0.449 -7.655 1.00 0.00 N ATOM 537 CA GLY A 38 13.119 -0.837 -8.552 1.00 0.00 C ATOM 538 C GLY A 38 12.747 -2.021 -9.423 1.00 0.00 C ATOM 539 O GLY A 38 11.654 -2.577 -9.319 1.00 0.00 O ATOM 0 H GLY A 38 11.107 -0.536 -8.046 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.382 0.009 -9.187 1.00 0.00 H new ATOM 0 HA3 GLY A 38 14.005 -1.084 -7.967 1.00 0.00 H new ATOM 543 N PRO A 39 13.672 -2.422 -10.308 1.00 0.00 N ATOM 544 CA PRO A 39 13.458 -3.550 -11.220 1.00 0.00 C ATOM 545 C PRO A 39 13.435 -4.888 -10.489 1.00 0.00 C ATOM 546 O PRO A 39 13.618 -4.946 -9.274 1.00 0.00 O ATOM 547 CB PRO A 39 14.661 -3.476 -12.163 1.00 0.00 C ATOM 548 CG PRO A 39 15.717 -2.780 -11.377 1.00 0.00 C ATOM 549 CD PRO A 39 14.997 -1.805 -10.488 1.00 0.00 C ATOM 0 HA PRO A 39 12.496 -3.487 -11.729 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.986 -4.471 -12.469 1.00 0.00 H new ATOM 0 HB3 PRO A 39 14.418 -2.927 -13.072 1.00 0.00 H new ATOM 0 HG2 PRO A 39 16.297 -3.490 -10.788 1.00 0.00 H new ATOM 0 HG3 PRO A 39 16.417 -2.265 -12.035 1.00 0.00 H new ATOM 0 HD2 PRO A 39 15.512 -1.673 -9.536 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.922 -0.820 -10.949 1.00 0.00 H new ATOM 557 N SER A 40 13.208 -5.962 -11.239 1.00 0.00 N ATOM 558 CA SER A 40 13.158 -7.301 -10.662 1.00 0.00 C ATOM 559 C SER A 40 11.994 -7.427 -9.685 1.00 0.00 C ATOM 560 O SER A 40 12.127 -8.024 -8.617 1.00 0.00 O ATOM 561 CB SER A 40 14.474 -7.622 -9.950 1.00 0.00 C ATOM 562 OG SER A 40 15.566 -7.575 -10.852 1.00 0.00 O ATOM 0 H SER A 40 13.056 -5.931 -12.247 1.00 0.00 H new ATOM 0 HA SER A 40 13.009 -8.014 -11.472 1.00 0.00 H new ATOM 0 HB2 SER A 40 14.636 -6.910 -9.140 1.00 0.00 H new ATOM 0 HB3 SER A 40 14.414 -8.612 -9.497 1.00 0.00 H new ATOM 0 HG SER A 40 16.395 -7.782 -10.373 1.00 0.00 H new ATOM 568 N SER A 41 10.851 -6.861 -10.059 1.00 0.00 N ATOM 569 CA SER A 41 9.663 -6.906 -9.215 1.00 0.00 C ATOM 570 C SER A 41 8.420 -6.505 -10.004 1.00 0.00 C ATOM 571 O SER A 41 8.517 -5.973 -11.109 1.00 0.00 O ATOM 572 CB SER A 41 9.834 -5.983 -8.007 1.00 0.00 C ATOM 573 OG SER A 41 9.598 -4.631 -8.361 1.00 0.00 O ATOM 0 H SER A 41 10.723 -6.366 -10.941 1.00 0.00 H new ATOM 0 HA SER A 41 9.535 -7.930 -8.865 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.145 -6.281 -7.217 1.00 0.00 H new ATOM 0 HB3 SER A 41 10.842 -6.087 -7.606 1.00 0.00 H new ATOM 0 HG SER A 41 10.442 -4.211 -8.629 1.00 0.00 H new ATOM 579 N GLY A 42 7.251 -6.765 -9.427 1.00 0.00 N ATOM 580 CA GLY A 42 6.005 -6.426 -10.089 1.00 0.00 C ATOM 581 C GLY A 42 5.111 -5.553 -9.231 1.00 0.00 C ATOM 582 O GLY A 42 5.294 -5.521 -8.015 1.00 0.00 O ATOM 0 H GLY A 42 7.145 -7.204 -8.513 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.223 -5.910 -11.024 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.473 -7.342 -10.347 1.00 0.00 H new TER 586 GLY A 42 HETATM 587 ZN ZN A 201 -1.701 2.329 -2.204 1.00 0.00 ZN