USER MOD reduce.3.24.130724 H: found=0, std=0, add=303, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 301 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 31 HIS HE2 : A 31 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 179:sc= 0 (180deg=-0.00377) USER MOD Single : A 2 SER OG : rot 37:sc= 1.03 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 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -2.24 K(o=-2.2,f=-5.3!) USER MOD Single : A 20 LYS NZ :NH3+ 178:sc= 0.0382 (180deg=0.0381) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -1.03 K(o=-1,f=-4.7!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 43:sc= 0.43 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.942 18.231 -23.606 1.00 0.00 N ATOM 2 CA GLY A 1 -16.051 17.612 -22.641 1.00 0.00 C ATOM 3 C GLY A 1 -15.311 18.631 -21.798 1.00 0.00 C ATOM 4 O GLY A 1 -14.105 18.512 -21.585 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.411 17.493 -24.169 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.659 18.793 -23.105 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.394 18.851 -24.236 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.627 16.955 -21.989 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.329 16.987 -23.167 1.00 0.00 H new ATOM 8 N SER A 2 -16.035 19.638 -21.318 1.00 0.00 N ATOM 9 CA SER A 2 -15.438 20.685 -20.498 1.00 0.00 C ATOM 10 C SER A 2 -15.848 20.531 -19.036 1.00 0.00 C ATOM 11 O SER A 2 -16.992 20.800 -18.670 1.00 0.00 O ATOM 12 CB SER A 2 -15.853 22.064 -21.013 1.00 0.00 C ATOM 13 OG SER A 2 -17.234 22.294 -20.799 1.00 0.00 O ATOM 0 H SER A 2 -17.035 19.750 -21.483 1.00 0.00 H new ATOM 0 HA SER A 2 -14.354 20.591 -20.565 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.270 22.835 -20.508 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.629 22.141 -22.077 1.00 0.00 H new ATOM 0 HG SER A 2 -17.504 21.893 -19.947 1.00 0.00 H new ATOM 19 N SER A 3 -14.906 20.096 -18.206 1.00 0.00 N ATOM 20 CA SER A 3 -15.169 19.902 -16.785 1.00 0.00 C ATOM 21 C SER A 3 -14.687 21.101 -15.975 1.00 0.00 C ATOM 22 O SER A 3 -15.464 21.735 -15.262 1.00 0.00 O ATOM 23 CB SER A 3 -14.484 18.627 -16.288 1.00 0.00 C ATOM 24 OG SER A 3 -14.627 18.486 -14.885 1.00 0.00 O ATOM 0 H SER A 3 -13.953 19.871 -18.493 1.00 0.00 H new ATOM 0 HA SER A 3 -16.246 19.804 -16.650 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.914 17.760 -16.790 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.426 18.654 -16.548 1.00 0.00 H new ATOM 0 HG SER A 3 -14.182 17.663 -14.592 1.00 0.00 H new ATOM 30 N GLY A 4 -13.398 21.407 -16.091 1.00 0.00 N ATOM 31 CA GLY A 4 -12.834 22.529 -15.364 1.00 0.00 C ATOM 32 C GLY A 4 -12.172 22.106 -14.067 1.00 0.00 C ATOM 33 O GLY A 4 -12.850 21.832 -13.077 1.00 0.00 O ATOM 0 H GLY A 4 -12.735 20.898 -16.675 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.102 23.035 -15.994 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.622 23.251 -15.148 1.00 0.00 H new ATOM 37 N SER A 5 -10.844 22.051 -14.073 1.00 0.00 N ATOM 38 CA SER A 5 -10.091 21.653 -12.889 1.00 0.00 C ATOM 39 C SER A 5 -8.731 22.343 -12.854 1.00 0.00 C ATOM 40 O SER A 5 -8.177 22.702 -13.893 1.00 0.00 O ATOM 41 CB SER A 5 -9.906 20.135 -12.864 1.00 0.00 C ATOM 42 OG SER A 5 -8.851 19.735 -13.721 1.00 0.00 O ATOM 0 H SER A 5 -10.268 22.277 -14.884 1.00 0.00 H new ATOM 0 HA SER A 5 -10.657 21.958 -12.008 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.695 19.808 -11.846 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.832 19.648 -13.170 1.00 0.00 H new ATOM 0 HG SER A 5 -8.752 18.761 -13.685 1.00 0.00 H new ATOM 48 N SER A 6 -8.198 22.526 -11.650 1.00 0.00 N ATOM 49 CA SER A 6 -6.904 23.176 -11.477 1.00 0.00 C ATOM 50 C SER A 6 -5.792 22.142 -11.333 1.00 0.00 C ATOM 51 O SER A 6 -4.906 22.280 -10.490 1.00 0.00 O ATOM 52 CB SER A 6 -6.929 24.090 -10.250 1.00 0.00 C ATOM 53 OG SER A 6 -7.291 23.369 -9.085 1.00 0.00 O ATOM 0 H SER A 6 -8.642 22.233 -10.780 1.00 0.00 H new ATOM 0 HA SER A 6 -6.705 23.777 -12.364 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.948 24.544 -10.111 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.636 24.903 -10.413 1.00 0.00 H new ATOM 0 HG SER A 6 -7.298 23.975 -8.315 1.00 0.00 H new ATOM 59 N GLY A 7 -5.845 21.105 -12.163 1.00 0.00 N ATOM 60 CA GLY A 7 -4.837 20.062 -12.113 1.00 0.00 C ATOM 61 C GLY A 7 -4.966 19.190 -10.880 1.00 0.00 C ATOM 62 O GLY A 7 -4.133 19.252 -9.975 1.00 0.00 O ATOM 0 H GLY A 7 -6.568 20.968 -12.869 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.918 19.440 -13.004 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.847 20.517 -12.131 1.00 0.00 H new ATOM 66 N THR A 8 -6.014 18.373 -10.842 1.00 0.00 N ATOM 67 CA THR A 8 -6.252 17.487 -9.710 1.00 0.00 C ATOM 68 C THR A 8 -5.031 16.618 -9.426 1.00 0.00 C ATOM 69 O THR A 8 -4.589 15.853 -10.282 1.00 0.00 O ATOM 70 CB THR A 8 -7.470 16.576 -9.955 1.00 0.00 C ATOM 71 OG1 THR A 8 -8.608 17.367 -10.315 1.00 0.00 O ATOM 72 CG2 THR A 8 -7.789 15.754 -8.716 1.00 0.00 C ATOM 0 H THR A 8 -6.712 18.307 -11.583 1.00 0.00 H new ATOM 0 HA THR A 8 -6.451 18.123 -8.848 1.00 0.00 H new ATOM 0 HB THR A 8 -7.228 15.895 -10.771 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.378 16.781 -10.471 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.652 15.119 -8.913 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.931 15.132 -8.461 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.012 16.422 -7.884 1.00 0.00 H new ATOM 80 N GLY A 9 -4.491 16.742 -8.218 1.00 0.00 N ATOM 81 CA GLY A 9 -3.326 15.961 -7.843 1.00 0.00 C ATOM 82 C GLY A 9 -3.432 15.399 -6.439 1.00 0.00 C ATOM 83 O GLY A 9 -2.465 15.426 -5.679 1.00 0.00 O ATOM 0 H GLY A 9 -4.839 17.369 -7.492 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.199 15.142 -8.550 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.435 16.585 -7.915 1.00 0.00 H new ATOM 87 N GLU A 10 -4.611 14.891 -6.094 1.00 0.00 N ATOM 88 CA GLU A 10 -4.839 14.322 -4.771 1.00 0.00 C ATOM 89 C GLU A 10 -5.502 12.951 -4.874 1.00 0.00 C ATOM 90 O GLU A 10 -6.559 12.804 -5.488 1.00 0.00 O ATOM 91 CB GLU A 10 -5.711 15.260 -3.932 1.00 0.00 C ATOM 92 CG GLU A 10 -4.962 16.467 -3.392 1.00 0.00 C ATOM 93 CD GLU A 10 -4.809 17.568 -4.424 1.00 0.00 C ATOM 94 OE1 GLU A 10 -5.770 17.808 -5.183 1.00 0.00 O ATOM 95 OE2 GLU A 10 -3.726 18.189 -4.471 1.00 0.00 O ATOM 0 H GLU A 10 -5.422 14.862 -6.712 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.871 14.202 -4.284 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.548 15.604 -4.539 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.132 14.701 -3.097 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.491 16.859 -2.523 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.975 16.155 -3.050 1.00 0.00 H new ATOM 102 N LYS A 11 -4.872 11.950 -4.270 1.00 0.00 N ATOM 103 CA LYS A 11 -5.398 10.590 -4.292 1.00 0.00 C ATOM 104 C LYS A 11 -5.863 10.209 -5.693 1.00 0.00 C ATOM 105 O LYS A 11 -6.986 9.747 -5.897 1.00 0.00 O ATOM 106 CB LYS A 11 -6.558 10.454 -3.303 1.00 0.00 C ATOM 107 CG LYS A 11 -6.113 10.193 -1.875 1.00 0.00 C ATOM 108 CD LYS A 11 -7.296 10.146 -0.922 1.00 0.00 C ATOM 109 CE LYS A 11 -6.893 10.553 0.487 1.00 0.00 C ATOM 110 NZ LYS A 11 -6.843 12.033 0.644 1.00 0.00 N ATOM 0 H LYS A 11 -3.996 12.055 -3.759 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.597 9.912 -3.998 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.154 11.366 -3.328 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.207 9.640 -3.627 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.570 9.249 -1.829 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.422 10.974 -1.560 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.082 10.810 -1.283 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.712 9.139 -0.906 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.602 10.136 1.202 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.916 10.130 0.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.565 12.270 1.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.148 12.429 -0.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.781 12.435 0.445 1.00 0.00 H new ATOM 124 N PRO A 12 -4.981 10.406 -6.684 1.00 0.00 N ATOM 125 CA PRO A 12 -5.279 10.087 -8.084 1.00 0.00 C ATOM 126 C PRO A 12 -5.370 8.585 -8.330 1.00 0.00 C ATOM 127 O PRO A 12 -6.121 8.132 -9.194 1.00 0.00 O ATOM 128 CB PRO A 12 -4.091 10.683 -8.844 1.00 0.00 C ATOM 129 CG PRO A 12 -2.980 10.707 -7.851 1.00 0.00 C ATOM 130 CD PRO A 12 -3.624 10.953 -6.515 1.00 0.00 C ATOM 0 HA PRO A 12 -6.245 10.484 -8.396 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.833 10.077 -9.713 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.317 11.685 -9.210 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.434 9.764 -7.853 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.261 11.492 -8.088 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.086 10.451 -5.711 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.646 12.015 -6.269 1.00 0.00 H new ATOM 138 N TYR A 13 -4.601 7.818 -7.566 1.00 0.00 N ATOM 139 CA TYR A 13 -4.593 6.366 -7.703 1.00 0.00 C ATOM 140 C TYR A 13 -5.317 5.705 -6.534 1.00 0.00 C ATOM 141 O TYR A 13 -5.609 6.347 -5.525 1.00 0.00 O ATOM 142 CB TYR A 13 -3.156 5.848 -7.786 1.00 0.00 C ATOM 143 CG TYR A 13 -2.606 5.812 -9.194 1.00 0.00 C ATOM 144 CD1 TYR A 13 -3.017 4.840 -10.097 1.00 0.00 C ATOM 145 CD2 TYR A 13 -1.676 6.752 -9.621 1.00 0.00 C ATOM 146 CE1 TYR A 13 -2.516 4.803 -11.384 1.00 0.00 C ATOM 147 CE2 TYR A 13 -1.171 6.724 -10.907 1.00 0.00 C ATOM 148 CZ TYR A 13 -1.594 5.747 -11.784 1.00 0.00 C ATOM 149 OH TYR A 13 -1.094 5.715 -13.066 1.00 0.00 O ATOM 0 H TYR A 13 -3.975 8.177 -6.845 1.00 0.00 H new ATOM 0 HA TYR A 13 -5.118 6.110 -8.624 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.515 6.479 -7.171 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.115 4.844 -7.363 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.741 4.100 -9.788 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.342 7.517 -8.936 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.845 4.039 -12.073 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.449 7.463 -11.223 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.456 6.449 -13.187 1.00 0.00 H new ATOM 159 N LYS A 14 -5.603 4.415 -6.677 1.00 0.00 N ATOM 160 CA LYS A 14 -6.291 3.663 -5.635 1.00 0.00 C ATOM 161 C LYS A 14 -6.102 2.163 -5.831 1.00 0.00 C ATOM 162 O LYS A 14 -6.144 1.664 -6.956 1.00 0.00 O ATOM 163 CB LYS A 14 -7.783 4.004 -5.631 1.00 0.00 C ATOM 164 CG LYS A 14 -8.513 3.531 -4.386 1.00 0.00 C ATOM 165 CD LYS A 14 -9.811 4.292 -4.176 1.00 0.00 C ATOM 166 CE LYS A 14 -9.558 5.676 -3.598 1.00 0.00 C ATOM 167 NZ LYS A 14 -10.820 6.453 -3.446 1.00 0.00 N ATOM 0 H LYS A 14 -5.368 3.868 -7.506 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.858 3.943 -4.675 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.900 5.084 -5.722 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.251 3.557 -6.508 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.725 2.465 -4.471 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.870 3.660 -3.515 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.338 4.384 -5.126 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.460 3.729 -3.505 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.071 5.581 -2.627 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.872 6.221 -4.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.605 7.390 -3.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.272 6.566 -4.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.465 5.946 -2.807 1.00 0.00 H new ATOM 181 N CYS A 15 -5.896 1.448 -4.730 1.00 0.00 N ATOM 182 CA CYS A 15 -5.702 0.004 -4.781 1.00 0.00 C ATOM 183 C CYS A 15 -7.041 -0.722 -4.874 1.00 0.00 C ATOM 184 O CYS A 15 -7.855 -0.664 -3.953 1.00 0.00 O ATOM 185 CB CYS A 15 -4.935 -0.473 -3.546 1.00 0.00 C ATOM 186 SG CYS A 15 -4.185 -2.123 -3.727 1.00 0.00 S ATOM 0 H CYS A 15 -5.859 1.845 -3.791 1.00 0.00 H new ATOM 0 HA CYS A 15 -5.120 -0.228 -5.673 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -4.150 0.248 -3.318 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.613 -0.486 -2.693 1.00 0.00 H new ATOM 191 N ASN A 16 -7.261 -1.406 -5.992 1.00 0.00 N ATOM 192 CA ASN A 16 -8.501 -2.144 -6.205 1.00 0.00 C ATOM 193 C ASN A 16 -8.551 -3.390 -5.326 1.00 0.00 C ATOM 194 O ASN A 16 -9.538 -4.125 -5.331 1.00 0.00 O ATOM 195 CB ASN A 16 -8.637 -2.538 -7.677 1.00 0.00 C ATOM 196 CG ASN A 16 -7.547 -3.493 -8.123 1.00 0.00 C ATOM 197 OD1 ASN A 16 -6.378 -3.118 -8.218 1.00 0.00 O ATOM 198 ND2 ASN A 16 -7.926 -4.735 -8.400 1.00 0.00 N ATOM 0 H ASN A 16 -6.597 -1.465 -6.764 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.333 -1.495 -5.931 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -9.610 -3.001 -7.838 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -8.605 -1.641 -8.295 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.237 -5.422 -8.705 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.906 -5.002 -8.307 1.00 0.00 H new ATOM 205 N GLU A 17 -7.479 -3.620 -4.574 1.00 0.00 N ATOM 206 CA GLU A 17 -7.401 -4.778 -3.690 1.00 0.00 C ATOM 207 C GLU A 17 -7.953 -4.444 -2.307 1.00 0.00 C ATOM 208 O GLU A 17 -8.890 -5.084 -1.829 1.00 0.00 O ATOM 209 CB GLU A 17 -5.954 -5.260 -3.572 1.00 0.00 C ATOM 210 CG GLU A 17 -5.413 -5.881 -4.849 1.00 0.00 C ATOM 211 CD GLU A 17 -5.508 -4.944 -6.038 1.00 0.00 C ATOM 212 OE1 GLU A 17 -5.269 -3.732 -5.858 1.00 0.00 O ATOM 213 OE2 GLU A 17 -5.822 -5.423 -7.148 1.00 0.00 O ATOM 0 H GLU A 17 -6.654 -3.021 -4.559 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.007 -5.575 -4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.321 -4.418 -3.291 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.888 -5.991 -2.766 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.372 -6.166 -4.698 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.965 -6.795 -5.066 1.00 0.00 H new ATOM 220 N CYS A 18 -7.363 -3.439 -1.668 1.00 0.00 N ATOM 221 CA CYS A 18 -7.793 -3.020 -0.340 1.00 0.00 C ATOM 222 C CYS A 18 -8.561 -1.703 -0.407 1.00 0.00 C ATOM 223 O CYS A 18 -9.584 -1.535 0.256 1.00 0.00 O ATOM 224 CB CYS A 18 -6.584 -2.871 0.587 1.00 0.00 C ATOM 225 SG CYS A 18 -5.361 -1.645 0.022 1.00 0.00 S ATOM 0 H CYS A 18 -6.586 -2.900 -2.049 1.00 0.00 H new ATOM 0 HA CYS A 18 -8.456 -3.788 0.059 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.934 -2.589 1.580 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.093 -3.839 0.685 1.00 0.00 H new ATOM 230 N GLY A 19 -8.061 -0.773 -1.213 1.00 0.00 N ATOM 231 CA GLY A 19 -8.712 0.517 -1.353 1.00 0.00 C ATOM 232 C GLY A 19 -7.830 1.664 -0.901 1.00 0.00 C ATOM 233 O GLY A 19 -8.322 2.742 -0.568 1.00 0.00 O ATOM 0 H GLY A 19 -7.216 -0.889 -1.772 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.993 0.668 -2.395 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.634 0.520 -0.771 1.00 0.00 H new ATOM 237 N LYS A 20 -6.522 1.433 -0.889 1.00 0.00 N ATOM 238 CA LYS A 20 -5.567 2.454 -0.475 1.00 0.00 C ATOM 239 C LYS A 20 -5.280 3.425 -1.616 1.00 0.00 C ATOM 240 O LYS A 20 -4.893 3.015 -2.710 1.00 0.00 O ATOM 241 CB LYS A 20 -4.264 1.804 -0.005 1.00 0.00 C ATOM 242 CG LYS A 20 -3.534 2.605 1.059 1.00 0.00 C ATOM 243 CD LYS A 20 -2.795 3.788 0.457 1.00 0.00 C ATOM 244 CE LYS A 20 -2.265 4.722 1.534 1.00 0.00 C ATOM 245 NZ LYS A 20 -1.365 5.766 0.970 1.00 0.00 N ATOM 0 H LYS A 20 -6.098 0.546 -1.162 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.006 3.012 0.352 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.484 0.811 0.387 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.605 1.670 -0.863 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.248 2.961 1.802 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.827 1.960 1.580 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.967 3.428 -0.154 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.464 4.337 -0.205 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.101 5.200 2.043 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.725 4.143 2.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.052 6.402 1.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.536 5.312 0.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.877 6.314 0.249 1.00 0.00 H new ATOM 259 N ALA A 21 -5.471 4.714 -1.353 1.00 0.00 N ATOM 260 CA ALA A 21 -5.229 5.742 -2.357 1.00 0.00 C ATOM 261 C ALA A 21 -3.887 6.429 -2.127 1.00 0.00 C ATOM 262 O ALA A 21 -3.638 6.984 -1.056 1.00 0.00 O ATOM 263 CB ALA A 21 -6.356 6.765 -2.347 1.00 0.00 C ATOM 0 H ALA A 21 -5.793 5.071 -0.453 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.198 5.260 -3.334 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.162 7.527 -3.102 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.301 6.268 -2.567 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.413 7.234 -1.365 1.00 0.00 H new ATOM 269 N PHE A 22 -3.025 6.388 -3.137 1.00 0.00 N ATOM 270 CA PHE A 22 -1.707 7.005 -3.044 1.00 0.00 C ATOM 271 C PHE A 22 -1.667 8.320 -3.817 1.00 0.00 C ATOM 272 O PHE A 22 -2.685 8.779 -4.335 1.00 0.00 O ATOM 273 CB PHE A 22 -0.636 6.053 -3.580 1.00 0.00 C ATOM 274 CG PHE A 22 -0.682 4.687 -2.956 1.00 0.00 C ATOM 275 CD1 PHE A 22 -1.685 3.792 -3.289 1.00 0.00 C ATOM 276 CD2 PHE A 22 0.280 4.299 -2.036 1.00 0.00 C ATOM 277 CE1 PHE A 22 -1.730 2.535 -2.715 1.00 0.00 C ATOM 278 CE2 PHE A 22 0.240 3.043 -1.460 1.00 0.00 C ATOM 279 CZ PHE A 22 -0.765 2.160 -1.801 1.00 0.00 C ATOM 0 H PHE A 22 -3.215 5.934 -4.030 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.504 7.214 -1.994 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.755 5.955 -4.659 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.347 6.490 -3.406 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.441 4.079 -4.005 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.069 4.985 -1.766 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -2.519 1.847 -2.981 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.994 2.753 -0.744 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.796 1.177 -1.354 1.00 0.00 H new ATOM 289 N ARG A 23 -0.484 8.921 -3.888 1.00 0.00 N ATOM 290 CA ARG A 23 -0.310 10.184 -4.595 1.00 0.00 C ATOM 291 C ARG A 23 0.308 9.956 -5.972 1.00 0.00 C ATOM 292 O ARG A 23 0.017 10.683 -6.921 1.00 0.00 O ATOM 293 CB ARG A 23 0.571 11.132 -3.780 1.00 0.00 C ATOM 294 CG ARG A 23 0.732 12.507 -4.409 1.00 0.00 C ATOM 295 CD ARG A 23 1.926 12.553 -5.349 1.00 0.00 C ATOM 296 NE ARG A 23 3.177 12.791 -4.634 1.00 0.00 N ATOM 297 CZ ARG A 23 4.372 12.753 -5.212 1.00 0.00 C ATOM 298 NH1 ARG A 23 4.479 12.489 -6.507 1.00 0.00 N ATOM 299 NH2 ARG A 23 5.465 12.980 -4.494 1.00 0.00 N ATOM 0 H ARG A 23 0.368 8.554 -3.465 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.293 10.636 -4.727 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.143 11.245 -2.784 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.556 10.682 -3.655 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.174 12.766 -4.957 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.855 13.255 -3.625 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.994 11.612 -5.895 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.775 13.340 -6.088 1.00 0.00 H new ATOM 0 HE ARG A 23 3.130 12.998 -3.636 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.642 12.314 -7.063 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.399 12.461 -6.947 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.387 13.184 -3.498 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.383 12.951 -4.939 1.00 0.00 H new ATOM 313 N ALA A 24 1.161 8.942 -6.071 1.00 0.00 N ATOM 314 CA ALA A 24 1.818 8.618 -7.331 1.00 0.00 C ATOM 315 C ALA A 24 1.881 7.109 -7.545 1.00 0.00 C ATOM 316 O ALA A 24 1.463 6.333 -6.686 1.00 0.00 O ATOM 317 CB ALA A 24 3.217 9.216 -7.367 1.00 0.00 C ATOM 0 H ALA A 24 1.413 8.331 -5.294 1.00 0.00 H new ATOM 0 HA ALA A 24 1.229 9.050 -8.140 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.695 8.966 -8.314 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.152 10.300 -7.268 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.807 8.812 -6.544 1.00 0.00 H new ATOM 323 N ARG A 25 2.405 6.701 -8.696 1.00 0.00 N ATOM 324 CA ARG A 25 2.520 5.285 -9.023 1.00 0.00 C ATOM 325 C ARG A 25 3.468 4.579 -8.058 1.00 0.00 C ATOM 326 O ARG A 25 3.057 3.701 -7.300 1.00 0.00 O ATOM 327 CB ARG A 25 3.014 5.110 -10.460 1.00 0.00 C ATOM 328 CG ARG A 25 2.240 5.934 -11.476 1.00 0.00 C ATOM 329 CD ARG A 25 3.075 6.220 -12.714 1.00 0.00 C ATOM 330 NE ARG A 25 4.033 7.300 -12.491 1.00 0.00 N ATOM 331 CZ ARG A 25 5.153 7.444 -13.190 1.00 0.00 C ATOM 332 NH1 ARG A 25 5.454 6.582 -14.151 1.00 0.00 N ATOM 333 NH2 ARG A 25 5.975 8.452 -12.928 1.00 0.00 N ATOM 0 H ARG A 25 2.756 7.331 -9.417 1.00 0.00 H new ATOM 0 HA ARG A 25 1.532 4.835 -8.929 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.068 5.385 -10.509 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.947 4.057 -10.732 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.333 5.402 -11.763 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.928 6.874 -11.021 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.609 5.316 -13.007 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.417 6.484 -13.542 1.00 0.00 H new ATOM 0 HE ARG A 25 3.831 7.981 -11.759 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.825 5.806 -14.355 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.315 6.695 -14.686 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.747 9.117 -12.189 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.835 8.562 -13.465 1.00 0.00 H new ATOM 347 N SER A 26 4.738 4.969 -8.093 1.00 0.00 N ATOM 348 CA SER A 26 5.745 4.371 -7.225 1.00 0.00 C ATOM 349 C SER A 26 5.167 4.076 -5.844 1.00 0.00 C ATOM 350 O SER A 26 5.324 2.976 -5.316 1.00 0.00 O ATOM 351 CB SER A 26 6.954 5.300 -7.096 1.00 0.00 C ATOM 352 OG SER A 26 8.046 4.635 -6.484 1.00 0.00 O ATOM 0 H SER A 26 5.094 5.696 -8.713 1.00 0.00 H new ATOM 0 HA SER A 26 6.064 3.431 -7.675 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.249 5.657 -8.083 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.682 6.176 -6.508 1.00 0.00 H new ATOM 0 HG SER A 26 8.806 5.250 -6.415 1.00 0.00 H new ATOM 358 N SER A 27 4.497 5.068 -5.266 1.00 0.00 N ATOM 359 CA SER A 27 3.897 4.917 -3.945 1.00 0.00 C ATOM 360 C SER A 27 2.877 3.784 -3.938 1.00 0.00 C ATOM 361 O SER A 27 2.810 2.998 -2.991 1.00 0.00 O ATOM 362 CB SER A 27 3.229 6.224 -3.513 1.00 0.00 C ATOM 363 OG SER A 27 4.163 7.099 -2.907 1.00 0.00 O ATOM 0 H SER A 27 4.356 5.984 -5.691 1.00 0.00 H new ATOM 0 HA SER A 27 4.690 4.672 -3.238 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.780 6.710 -4.379 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.421 6.009 -2.814 1.00 0.00 H new ATOM 0 HG SER A 27 3.711 7.927 -2.642 1.00 0.00 H new ATOM 369 N LEU A 28 2.083 3.704 -5.000 1.00 0.00 N ATOM 370 CA LEU A 28 1.064 2.667 -5.118 1.00 0.00 C ATOM 371 C LEU A 28 1.704 1.292 -5.283 1.00 0.00 C ATOM 372 O LEU A 28 1.325 0.335 -4.607 1.00 0.00 O ATOM 373 CB LEU A 28 0.145 2.959 -6.306 1.00 0.00 C ATOM 374 CG LEU A 28 -0.836 1.850 -6.684 1.00 0.00 C ATOM 375 CD1 LEU A 28 -2.147 2.016 -5.931 1.00 0.00 C ATOM 376 CD2 LEU A 28 -1.080 1.843 -8.186 1.00 0.00 C ATOM 0 H LEU A 28 2.125 4.345 -5.792 1.00 0.00 H new ATOM 0 HA LEU A 28 0.474 2.666 -4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.425 3.861 -6.085 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.766 3.179 -7.174 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.398 0.893 -6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.833 1.217 -6.213 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.959 1.970 -4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.591 2.980 -6.181 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.781 1.047 -8.437 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.496 2.803 -8.491 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.138 1.674 -8.707 1.00 0.00 H new ATOM 388 N ALA A 29 2.677 1.201 -6.183 1.00 0.00 N ATOM 389 CA ALA A 29 3.372 -0.055 -6.433 1.00 0.00 C ATOM 390 C ALA A 29 3.953 -0.627 -5.144 1.00 0.00 C ATOM 391 O ALA A 29 3.618 -1.743 -4.743 1.00 0.00 O ATOM 392 CB ALA A 29 4.471 0.146 -7.466 1.00 0.00 C ATOM 0 H ALA A 29 3.002 1.983 -6.752 1.00 0.00 H new ATOM 0 HA ALA A 29 2.648 -0.770 -6.823 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.982 -0.801 -7.643 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.033 0.502 -8.399 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.187 0.881 -7.098 1.00 0.00 H new ATOM 398 N ILE A 30 4.823 0.143 -4.500 1.00 0.00 N ATOM 399 CA ILE A 30 5.450 -0.288 -3.257 1.00 0.00 C ATOM 400 C ILE A 30 4.481 -1.104 -2.407 1.00 0.00 C ATOM 401 O ILE A 30 4.868 -2.089 -1.778 1.00 0.00 O ATOM 402 CB ILE A 30 5.951 0.913 -2.433 1.00 0.00 C ATOM 403 CG1 ILE A 30 7.015 1.687 -3.214 1.00 0.00 C ATOM 404 CG2 ILE A 30 6.504 0.444 -1.096 1.00 0.00 C ATOM 405 CD1 ILE A 30 7.153 3.129 -2.780 1.00 0.00 C ATOM 0 H ILE A 30 5.110 1.069 -4.818 1.00 0.00 H new ATOM 0 HA ILE A 30 6.302 -0.910 -3.532 1.00 0.00 H new ATOM 0 HB ILE A 30 5.110 1.580 -2.242 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.976 1.187 -3.096 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.768 1.657 -4.275 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.854 1.304 -0.525 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.720 -0.068 -0.537 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.335 -0.241 -1.266 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.925 3.616 -3.376 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.204 3.645 -2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.430 3.167 -1.727 1.00 0.00 H new ATOM 417 N HIS A 31 3.218 -0.689 -2.395 1.00 0.00 N ATOM 418 CA HIS A 31 2.193 -1.383 -1.625 1.00 0.00 C ATOM 419 C HIS A 31 1.735 -2.647 -2.346 1.00 0.00 C ATOM 420 O HIS A 31 1.572 -3.700 -1.728 1.00 0.00 O ATOM 421 CB HIS A 31 0.998 -0.461 -1.380 1.00 0.00 C ATOM 422 CG HIS A 31 -0.260 -1.192 -1.023 1.00 0.00 C ATOM 423 ND1 HIS A 31 -0.497 -1.712 0.232 1.00 0.00 N ATOM 424 CD2 HIS A 31 -1.353 -1.487 -1.764 1.00 0.00 C ATOM 425 CE1 HIS A 31 -1.682 -2.297 0.246 1.00 0.00 C ATOM 426 NE2 HIS A 31 -2.222 -2.174 -0.953 1.00 0.00 N ATOM 0 H HIS A 31 2.880 0.124 -2.910 1.00 0.00 H new ATOM 0 HA HIS A 31 2.625 -1.669 -0.666 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.245 0.234 -0.577 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.820 0.135 -2.275 1.00 0.00 H new ATOM 0 HD1 HIS A 31 0.142 -1.654 1.025 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.512 -1.230 -2.801 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -2.132 -2.792 1.094 1.00 0.00 H new ATOM 434 N GLN A 32 1.528 -2.535 -3.654 1.00 0.00 N ATOM 435 CA GLN A 32 1.087 -3.670 -4.457 1.00 0.00 C ATOM 436 C GLN A 32 1.952 -4.897 -4.187 1.00 0.00 C ATOM 437 O GLN A 32 1.557 -6.024 -4.484 1.00 0.00 O ATOM 438 CB GLN A 32 1.132 -3.317 -5.944 1.00 0.00 C ATOM 439 CG GLN A 32 0.122 -2.255 -6.349 1.00 0.00 C ATOM 440 CD GLN A 32 -1.309 -2.749 -6.264 1.00 0.00 C ATOM 441 OE1 GLN A 32 -1.583 -3.797 -5.678 1.00 0.00 O ATOM 442 NE2 GLN A 32 -2.231 -1.995 -6.851 1.00 0.00 N ATOM 0 H GLN A 32 1.658 -1.671 -4.180 1.00 0.00 H new ATOM 0 HA GLN A 32 0.060 -3.904 -4.177 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.134 -2.969 -6.196 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.952 -4.219 -6.529 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.240 -1.383 -5.706 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.331 -1.930 -7.368 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.959 -1.134 -7.326 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.211 -2.277 -6.827 1.00 0.00 H new ATOM 451 N ALA A 33 3.133 -4.669 -3.622 1.00 0.00 N ATOM 452 CA ALA A 33 4.053 -5.756 -3.310 1.00 0.00 C ATOM 453 C ALA A 33 3.666 -6.446 -2.006 1.00 0.00 C ATOM 454 O ALA A 33 4.433 -7.240 -1.460 1.00 0.00 O ATOM 455 CB ALA A 33 5.479 -5.233 -3.229 1.00 0.00 C ATOM 0 H ALA A 33 3.475 -3.741 -3.371 1.00 0.00 H new ATOM 0 HA ALA A 33 3.992 -6.492 -4.112 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.155 -6.055 -2.995 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.760 -4.793 -4.186 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.545 -4.476 -2.448 1.00 0.00 H new ATOM 461 N THR A 34 2.471 -6.139 -1.512 1.00 0.00 N ATOM 462 CA THR A 34 1.983 -6.728 -0.271 1.00 0.00 C ATOM 463 C THR A 34 0.825 -7.684 -0.535 1.00 0.00 C ATOM 464 O THR A 34 0.673 -8.695 0.153 1.00 0.00 O ATOM 465 CB THR A 34 1.522 -5.644 0.722 1.00 0.00 C ATOM 466 OG1 THR A 34 1.589 -6.147 2.061 1.00 0.00 O ATOM 467 CG2 THR A 34 0.101 -5.196 0.414 1.00 0.00 C ATOM 0 H THR A 34 1.823 -5.486 -1.952 1.00 0.00 H new ATOM 0 HA THR A 34 2.815 -7.280 0.166 1.00 0.00 H new ATOM 0 HB THR A 34 2.186 -4.785 0.622 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.296 -5.452 2.687 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.202 -4.431 1.128 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.059 -4.787 -0.596 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.574 -6.049 0.488 1.00 0.00 H new ATOM 475 N HIS A 35 0.012 -7.361 -1.535 1.00 0.00 N ATOM 476 CA HIS A 35 -1.131 -8.194 -1.891 1.00 0.00 C ATOM 477 C HIS A 35 -0.675 -9.491 -2.551 1.00 0.00 C ATOM 478 O HIS A 35 -0.258 -9.496 -3.709 1.00 0.00 O ATOM 479 CB HIS A 35 -2.071 -7.434 -2.828 1.00 0.00 C ATOM 480 CG HIS A 35 -2.935 -6.432 -2.126 1.00 0.00 C ATOM 481 ND1 HIS A 35 -4.014 -6.785 -1.343 1.00 0.00 N ATOM 482 CD2 HIS A 35 -2.873 -5.080 -2.092 1.00 0.00 C ATOM 483 CE1 HIS A 35 -4.579 -5.694 -0.859 1.00 0.00 C ATOM 484 NE2 HIS A 35 -3.906 -4.646 -1.298 1.00 0.00 N ATOM 0 H HIS A 35 0.123 -6.528 -2.113 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.666 -8.443 -0.975 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.479 -6.923 -3.587 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.708 -8.149 -3.349 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -4.327 -7.740 -1.166 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -2.147 -4.459 -2.595 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.445 -5.664 -0.214 1.00 0.00 H new ATOM 492 N SER A 36 -0.755 -10.589 -1.806 1.00 0.00 N ATOM 493 CA SER A 36 -0.346 -11.892 -2.318 1.00 0.00 C ATOM 494 C SER A 36 -1.498 -12.890 -2.247 1.00 0.00 C ATOM 495 O SER A 36 -1.674 -13.581 -1.245 1.00 0.00 O ATOM 496 CB SER A 36 0.852 -12.420 -1.527 1.00 0.00 C ATOM 497 OG SER A 36 1.297 -13.662 -2.045 1.00 0.00 O ATOM 0 H SER A 36 -1.099 -10.602 -0.846 1.00 0.00 H new ATOM 0 HA SER A 36 -0.058 -11.771 -3.362 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.665 -11.695 -1.564 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.577 -12.537 -0.479 1.00 0.00 H new ATOM 0 HG SER A 36 2.064 -13.978 -1.524 1.00 0.00 H new ATOM 503 N GLY A 37 -2.281 -12.958 -3.319 1.00 0.00 N ATOM 504 CA GLY A 37 -3.406 -13.873 -3.359 1.00 0.00 C ATOM 505 C GLY A 37 -3.943 -14.072 -4.763 1.00 0.00 C ATOM 506 O GLY A 37 -3.520 -14.984 -5.472 1.00 0.00 O ATOM 0 H GLY A 37 -2.156 -12.395 -4.161 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.101 -14.836 -2.950 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.202 -13.493 -2.719 1.00 0.00 H new ATOM 510 N GLU A 38 -4.878 -13.216 -5.164 1.00 0.00 N ATOM 511 CA GLU A 38 -5.474 -13.304 -6.492 1.00 0.00 C ATOM 512 C GLU A 38 -4.573 -12.654 -7.537 1.00 0.00 C ATOM 513 O GLU A 38 -5.043 -11.935 -8.419 1.00 0.00 O ATOM 514 CB GLU A 38 -6.850 -12.635 -6.502 1.00 0.00 C ATOM 515 CG GLU A 38 -7.693 -12.994 -7.715 1.00 0.00 C ATOM 516 CD GLU A 38 -8.775 -11.971 -7.997 1.00 0.00 C ATOM 517 OE1 GLU A 38 -8.434 -10.785 -8.191 1.00 0.00 O ATOM 518 OE2 GLU A 38 -9.963 -12.355 -8.023 1.00 0.00 O ATOM 0 H GLU A 38 -5.239 -12.455 -4.589 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.588 -14.359 -6.742 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.389 -12.919 -5.598 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.719 -11.553 -6.468 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.047 -13.084 -8.588 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.153 -13.970 -7.557 1.00 0.00 H new ATOM 525 N LYS A 39 -3.273 -12.911 -7.432 1.00 0.00 N ATOM 526 CA LYS A 39 -2.304 -12.353 -8.367 1.00 0.00 C ATOM 527 C LYS A 39 -1.387 -13.442 -8.915 1.00 0.00 C ATOM 528 O LYS A 39 -0.253 -13.615 -8.468 1.00 0.00 O ATOM 529 CB LYS A 39 -1.471 -11.267 -7.683 1.00 0.00 C ATOM 530 CG LYS A 39 -2.114 -9.891 -7.723 1.00 0.00 C ATOM 531 CD LYS A 39 -1.880 -9.205 -9.058 1.00 0.00 C ATOM 532 CE LYS A 39 -0.572 -8.429 -9.065 1.00 0.00 C ATOM 533 NZ LYS A 39 -0.633 -7.247 -9.968 1.00 0.00 N ATOM 0 H LYS A 39 -2.867 -13.503 -6.708 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.853 -11.912 -9.199 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.303 -11.550 -6.644 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.493 -11.216 -8.161 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.185 -9.984 -7.543 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.708 -9.275 -6.920 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.866 -9.950 -9.853 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.707 -8.528 -9.270 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.339 -8.100 -8.052 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.238 -9.086 -9.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.277 -6.745 -9.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.830 -7.562 -10.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.389 -6.607 -9.652 1.00 0.00 H new ATOM 547 N PRO A 40 -1.887 -14.194 -9.907 1.00 0.00 N ATOM 548 CA PRO A 40 -1.128 -15.278 -10.539 1.00 0.00 C ATOM 549 C PRO A 40 0.030 -14.758 -11.384 1.00 0.00 C ATOM 550 O PRO A 40 -0.006 -13.631 -11.877 1.00 0.00 O ATOM 551 CB PRO A 40 -2.168 -15.969 -11.424 1.00 0.00 C ATOM 552 CG PRO A 40 -3.181 -14.916 -11.713 1.00 0.00 C ATOM 553 CD PRO A 40 -3.231 -14.043 -10.489 1.00 0.00 C ATOM 0 HA PRO A 40 -0.669 -15.938 -9.803 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.718 -16.347 -12.342 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.618 -16.821 -10.914 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.902 -14.338 -12.594 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.156 -15.358 -11.917 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.444 -13.005 -10.744 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.008 -14.367 -9.796 1.00 0.00 H new ATOM 561 N SER A 41 1.056 -15.588 -11.547 1.00 0.00 N ATOM 562 CA SER A 41 2.226 -15.211 -12.330 1.00 0.00 C ATOM 563 C SER A 41 1.914 -15.239 -13.823 1.00 0.00 C ATOM 564 O SER A 41 1.936 -16.296 -14.453 1.00 0.00 O ATOM 565 CB SER A 41 3.395 -16.150 -12.024 1.00 0.00 C ATOM 566 OG SER A 41 3.014 -17.505 -12.180 1.00 0.00 O ATOM 0 H SER A 41 1.100 -16.525 -11.147 1.00 0.00 H new ATOM 0 HA SER A 41 2.504 -14.194 -12.054 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.230 -15.925 -12.688 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.744 -15.982 -11.005 1.00 0.00 H new ATOM 0 HG SER A 41 2.475 -17.602 -12.993 1.00 0.00 H new ATOM 572 N GLY A 42 1.622 -14.069 -14.383 1.00 0.00 N ATOM 573 CA GLY A 42 1.308 -13.981 -15.797 1.00 0.00 C ATOM 574 C GLY A 42 1.708 -12.648 -16.398 1.00 0.00 C ATOM 575 O GLY A 42 0.874 -11.773 -16.632 1.00 0.00 O ATOM 0 H GLY A 42 1.597 -13.181 -13.883 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.818 -14.784 -16.330 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.238 -14.133 -15.939 1.00 0.00 H new ATOM 579 N PRO A 43 3.013 -12.478 -16.655 1.00 0.00 N ATOM 580 CA PRO A 43 3.552 -11.244 -17.235 1.00 0.00 C ATOM 581 C PRO A 43 3.140 -11.059 -18.691 1.00 0.00 C ATOM 582 O PRO A 43 3.610 -11.777 -19.574 1.00 0.00 O ATOM 583 CB PRO A 43 5.067 -11.433 -17.127 1.00 0.00 C ATOM 584 CG PRO A 43 5.264 -12.910 -17.108 1.00 0.00 C ATOM 585 CD PRO A 43 4.064 -13.478 -16.402 1.00 0.00 C ATOM 0 HA PRO A 43 3.182 -10.357 -16.721 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.584 -10.975 -17.970 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.460 -10.969 -16.222 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.345 -13.306 -18.120 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.185 -13.174 -16.588 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.791 -14.456 -16.798 1.00 0.00 H new ATOM 0 HD3 PRO A 43 4.249 -13.606 -15.335 1.00 0.00 H new ATOM 593 N SER A 44 2.261 -10.093 -18.935 1.00 0.00 N ATOM 594 CA SER A 44 1.783 -9.816 -20.284 1.00 0.00 C ATOM 595 C SER A 44 2.711 -8.837 -20.999 1.00 0.00 C ATOM 596 O SER A 44 3.142 -7.840 -20.421 1.00 0.00 O ATOM 597 CB SER A 44 0.363 -9.250 -20.240 1.00 0.00 C ATOM 598 OG SER A 44 0.349 -7.952 -19.672 1.00 0.00 O ATOM 0 H SER A 44 1.865 -9.488 -18.215 1.00 0.00 H new ATOM 0 HA SER A 44 1.775 -10.754 -20.839 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.049 -9.213 -21.249 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.278 -9.912 -19.658 1.00 0.00 H new ATOM 0 HG SER A 44 -0.570 -7.611 -19.657 1.00 0.00 H new ATOM 604 N SER A 45 3.012 -9.130 -22.259 1.00 0.00 N ATOM 605 CA SER A 45 3.891 -8.279 -23.053 1.00 0.00 C ATOM 606 C SER A 45 3.346 -6.856 -23.129 1.00 0.00 C ATOM 607 O SER A 45 2.134 -6.646 -23.175 1.00 0.00 O ATOM 608 CB SER A 45 4.054 -8.851 -24.462 1.00 0.00 C ATOM 609 OG SER A 45 2.794 -9.086 -25.067 1.00 0.00 O ATOM 0 H SER A 45 2.660 -9.950 -22.753 1.00 0.00 H new ATOM 0 HA SER A 45 4.866 -8.251 -22.566 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.631 -8.158 -25.074 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.618 -9.782 -24.417 1.00 0.00 H new ATOM 0 HG SER A 45 2.926 -9.450 -25.967 1.00 0.00 H new ATOM 615 N GLY A 46 4.250 -5.882 -23.143 1.00 0.00 N ATOM 616 CA GLY A 46 3.842 -4.491 -23.214 1.00 0.00 C ATOM 617 C GLY A 46 3.973 -3.780 -21.882 1.00 0.00 C ATOM 618 O GLY A 46 3.550 -4.329 -20.866 1.00 0.00 O ATOM 0 H GLY A 46 5.258 -6.031 -23.106 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.448 -3.975 -23.959 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.807 -4.436 -23.552 1.00 0.00 H new TER 622 GLY A 46 HETATM 623 ZN ZN A 201 -3.974 -2.746 -1.430 1.00 0.00 ZN