USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, 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 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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.0651 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -170:sc= -0.0191 (180deg=-0.14) 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= -0.393 X(o=-0.39,f=-0.4) USER MOD Single : A 29 HIS : no HD1:sc= -0.665 K(o=-0.66,f=-5.1!) USER MOD Single : A 34 THR OG1 : rot -42:sc= 0.976 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0.0068 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.003 -12.219 2.196 1.00 0.00 N ATOM 2 CA GLY A 1 -8.314 -11.178 1.456 1.00 0.00 C ATOM 3 C GLY A 1 -7.105 -10.643 2.198 1.00 0.00 C ATOM 4 O GLY A 1 -5.994 -10.643 1.669 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.821 -12.552 1.647 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.353 -13.013 2.364 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.329 -11.839 3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.999 -11.571 0.490 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.006 -10.360 1.257 1.00 0.00 H new ATOM 8 N SER A 2 -7.322 -10.183 3.426 1.00 0.00 N ATOM 9 CA SER A 2 -6.242 -9.637 4.239 1.00 0.00 C ATOM 10 C SER A 2 -6.482 -9.917 5.720 1.00 0.00 C ATOM 11 O SER A 2 -7.523 -9.557 6.270 1.00 0.00 O ATOM 12 CB SER A 2 -6.112 -8.131 4.008 1.00 0.00 C ATOM 13 OG SER A 2 -5.811 -7.847 2.653 1.00 0.00 O ATOM 0 H SER A 2 -8.236 -10.178 3.879 1.00 0.00 H new ATOM 0 HA SER A 2 -5.314 -10.124 3.940 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.041 -7.635 4.289 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.329 -7.728 4.650 1.00 0.00 H new ATOM 0 HG SER A 2 -5.735 -6.878 2.531 1.00 0.00 H new ATOM 19 N SER A 3 -5.511 -10.563 6.359 1.00 0.00 N ATOM 20 CA SER A 3 -5.618 -10.895 7.774 1.00 0.00 C ATOM 21 C SER A 3 -5.838 -9.639 8.612 1.00 0.00 C ATOM 22 O SER A 3 -5.738 -8.520 8.112 1.00 0.00 O ATOM 23 CB SER A 3 -4.356 -11.621 8.245 1.00 0.00 C ATOM 24 OG SER A 3 -4.639 -12.481 9.335 1.00 0.00 O ATOM 0 H SER A 3 -4.642 -10.866 5.919 1.00 0.00 H new ATOM 0 HA SER A 3 -6.478 -11.552 7.904 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.936 -12.199 7.421 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.602 -10.892 8.540 1.00 0.00 H new ATOM 0 HG SER A 3 -3.817 -12.934 9.616 1.00 0.00 H new ATOM 30 N GLY A 4 -6.139 -9.835 9.893 1.00 0.00 N ATOM 31 CA GLY A 4 -6.370 -8.711 10.781 1.00 0.00 C ATOM 32 C GLY A 4 -7.843 -8.484 11.058 1.00 0.00 C ATOM 33 O GLY A 4 -8.621 -9.434 11.131 1.00 0.00 O ATOM 0 H GLY A 4 -6.227 -10.752 10.331 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.849 -8.883 11.723 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.943 -7.810 10.340 1.00 0.00 H new ATOM 37 N SER A 5 -8.226 -7.221 11.216 1.00 0.00 N ATOM 38 CA SER A 5 -9.615 -6.872 11.493 1.00 0.00 C ATOM 39 C SER A 5 -10.167 -5.945 10.415 1.00 0.00 C ATOM 40 O SER A 5 -9.415 -5.238 9.743 1.00 0.00 O ATOM 41 CB SER A 5 -9.731 -6.205 12.864 1.00 0.00 C ATOM 42 OG SER A 5 -9.123 -4.925 12.862 1.00 0.00 O ATOM 0 H SER A 5 -7.594 -6.422 11.157 1.00 0.00 H new ATOM 0 HA SER A 5 -10.202 -7.790 11.493 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.782 -6.111 13.139 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.259 -6.834 13.619 1.00 0.00 H new ATOM 0 HG SER A 5 -9.212 -4.519 13.749 1.00 0.00 H new ATOM 48 N SER A 6 -11.487 -5.953 10.255 1.00 0.00 N ATOM 49 CA SER A 6 -12.141 -5.116 9.257 1.00 0.00 C ATOM 50 C SER A 6 -13.016 -4.059 9.923 1.00 0.00 C ATOM 51 O SER A 6 -13.191 -4.059 11.141 1.00 0.00 O ATOM 52 CB SER A 6 -12.988 -5.975 8.316 1.00 0.00 C ATOM 53 OG SER A 6 -14.161 -6.437 8.963 1.00 0.00 O ATOM 0 H SER A 6 -12.124 -6.530 10.804 1.00 0.00 H new ATOM 0 HA SER A 6 -11.367 -4.611 8.679 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.260 -5.394 7.435 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.402 -6.826 7.969 1.00 0.00 H new ATOM 0 HG SER A 6 -14.685 -6.982 8.340 1.00 0.00 H new ATOM 59 N GLY A 7 -13.565 -3.157 9.114 1.00 0.00 N ATOM 60 CA GLY A 7 -14.415 -2.107 9.642 1.00 0.00 C ATOM 61 C GLY A 7 -14.586 -0.956 8.670 1.00 0.00 C ATOM 62 O GLY A 7 -14.465 -1.136 7.459 1.00 0.00 O ATOM 0 H GLY A 7 -13.436 -3.135 8.102 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.393 -2.523 9.884 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.989 -1.732 10.573 1.00 0.00 H new ATOM 66 N GLN A 8 -14.871 0.228 9.202 1.00 0.00 N ATOM 67 CA GLN A 8 -15.061 1.412 8.372 1.00 0.00 C ATOM 68 C GLN A 8 -13.777 2.231 8.289 1.00 0.00 C ATOM 69 O GLN A 8 -13.532 3.107 9.118 1.00 0.00 O ATOM 70 CB GLN A 8 -16.195 2.275 8.929 1.00 0.00 C ATOM 71 CG GLN A 8 -16.148 2.440 10.440 1.00 0.00 C ATOM 72 CD GLN A 8 -17.231 3.364 10.960 1.00 0.00 C ATOM 73 OE1 GLN A 8 -18.270 2.912 11.442 1.00 0.00 O ATOM 74 NE2 GLN A 8 -16.993 4.667 10.864 1.00 0.00 N ATOM 0 H GLN A 8 -14.975 0.393 10.203 1.00 0.00 H new ATOM 0 HA GLN A 8 -15.325 1.081 7.367 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -16.154 3.259 8.463 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -17.150 1.830 8.650 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -16.252 1.463 10.912 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -15.172 2.831 10.729 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -16.118 4.997 10.457 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -17.685 5.338 11.197 1.00 0.00 H new ATOM 83 N LYS A 9 -12.960 1.940 7.283 1.00 0.00 N ATOM 84 CA LYS A 9 -11.701 2.649 7.089 1.00 0.00 C ATOM 85 C LYS A 9 -11.885 3.840 6.154 1.00 0.00 C ATOM 86 O LYS A 9 -12.048 3.689 4.943 1.00 0.00 O ATOM 87 CB LYS A 9 -10.640 1.702 6.523 1.00 0.00 C ATOM 88 CG LYS A 9 -10.300 0.547 7.449 1.00 0.00 C ATOM 89 CD LYS A 9 -9.282 -0.390 6.821 1.00 0.00 C ATOM 90 CE LYS A 9 -9.357 -1.783 7.429 1.00 0.00 C ATOM 91 NZ LYS A 9 -8.040 -2.477 7.387 1.00 0.00 N ATOM 0 H LYS A 9 -13.147 1.217 6.588 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.369 3.019 8.059 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.992 1.303 5.572 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.733 2.269 6.315 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.907 0.936 8.388 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.207 -0.008 7.689 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.456 -0.451 5.747 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.279 0.015 6.959 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.697 -1.711 8.462 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.097 -2.375 6.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.132 -3.423 7.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.727 -2.569 6.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.340 -1.925 7.922 1.00 0.00 H new ATOM 105 N PRO A 10 -11.858 5.052 6.727 1.00 0.00 N ATOM 106 CA PRO A 10 -12.018 6.293 5.962 1.00 0.00 C ATOM 107 C PRO A 10 -10.818 6.581 5.066 1.00 0.00 C ATOM 108 O PRO A 10 -10.975 6.963 3.906 1.00 0.00 O ATOM 109 CB PRO A 10 -12.145 7.365 7.047 1.00 0.00 C ATOM 110 CG PRO A 10 -11.444 6.792 8.229 1.00 0.00 C ATOM 111 CD PRO A 10 -11.668 5.306 8.165 1.00 0.00 C ATOM 0 HA PRO A 10 -12.872 6.248 5.286 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.688 8.303 6.732 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -13.190 7.579 7.272 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.380 7.027 8.203 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.840 7.207 9.156 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.816 4.754 8.562 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.541 5.006 8.745 1.00 0.00 H new ATOM 119 N TYR A 11 -9.621 6.395 5.611 1.00 0.00 N ATOM 120 CA TYR A 11 -8.394 6.637 4.861 1.00 0.00 C ATOM 121 C TYR A 11 -8.221 5.604 3.752 1.00 0.00 C ATOM 122 O TYR A 11 -7.822 4.467 4.003 1.00 0.00 O ATOM 123 CB TYR A 11 -7.185 6.604 5.798 1.00 0.00 C ATOM 124 CG TYR A 11 -7.353 7.458 7.034 1.00 0.00 C ATOM 125 CD1 TYR A 11 -8.012 6.969 8.156 1.00 0.00 C ATOM 126 CD2 TYR A 11 -6.854 8.753 7.081 1.00 0.00 C ATOM 127 CE1 TYR A 11 -8.168 7.745 9.287 1.00 0.00 C ATOM 128 CE2 TYR A 11 -7.005 9.537 8.209 1.00 0.00 C ATOM 129 CZ TYR A 11 -7.663 9.028 9.309 1.00 0.00 C ATOM 130 OH TYR A 11 -7.816 9.806 10.434 1.00 0.00 O ATOM 0 H TYR A 11 -9.474 6.078 6.569 1.00 0.00 H new ATOM 0 HA TYR A 11 -8.465 7.624 4.405 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -6.999 5.574 6.101 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -6.303 6.940 5.252 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -8.409 5.965 8.143 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -6.339 9.155 6.221 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -8.683 7.349 10.150 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -6.610 10.542 8.229 1.00 0.00 H new ATOM 0 HH TYR A 11 -7.402 10.682 10.285 1.00 0.00 H new ATOM 140 N VAL A 12 -8.524 6.010 2.523 1.00 0.00 N ATOM 141 CA VAL A 12 -8.400 5.122 1.373 1.00 0.00 C ATOM 142 C VAL A 12 -7.318 5.609 0.416 1.00 0.00 C ATOM 143 O VAL A 12 -7.305 6.774 0.017 1.00 0.00 O ATOM 144 CB VAL A 12 -9.732 5.005 0.608 1.00 0.00 C ATOM 145 CG1 VAL A 12 -9.578 4.089 -0.596 1.00 0.00 C ATOM 146 CG2 VAL A 12 -10.834 4.507 1.531 1.00 0.00 C ATOM 0 H VAL A 12 -8.857 6.948 2.298 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.124 4.141 1.759 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.012 5.995 0.247 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.529 4.019 -1.124 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.820 4.494 -1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.274 3.097 -0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.768 4.430 0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.564 3.527 1.924 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.961 5.207 2.357 1.00 0.00 H new ATOM 156 N CYS A 13 -6.411 4.710 0.050 1.00 0.00 N ATOM 157 CA CYS A 13 -5.324 5.046 -0.861 1.00 0.00 C ATOM 158 C CYS A 13 -5.857 5.339 -2.261 1.00 0.00 C ATOM 159 O CYS A 13 -6.621 4.554 -2.821 1.00 0.00 O ATOM 160 CB CYS A 13 -4.307 3.905 -0.919 1.00 0.00 C ATOM 161 SG CYS A 13 -2.623 4.431 -1.375 1.00 0.00 S ATOM 0 H CYS A 13 -6.407 3.742 0.371 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.832 5.943 -0.484 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.272 3.414 0.054 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.651 3.162 -1.639 1.00 0.00 H new ATOM 166 N ASN A 14 -5.448 6.473 -2.819 1.00 0.00 N ATOM 167 CA ASN A 14 -5.885 6.870 -4.153 1.00 0.00 C ATOM 168 C ASN A 14 -4.969 6.282 -5.222 1.00 0.00 C ATOM 169 O ASN A 14 -5.177 6.496 -6.416 1.00 0.00 O ATOM 170 CB ASN A 14 -5.912 8.395 -4.271 1.00 0.00 C ATOM 171 CG ASN A 14 -7.242 8.985 -3.845 1.00 0.00 C ATOM 172 OD1 ASN A 14 -7.534 9.089 -2.653 1.00 0.00 O ATOM 173 ND2 ASN A 14 -8.056 9.373 -4.819 1.00 0.00 N ATOM 0 H ASN A 14 -4.815 7.134 -2.369 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.892 6.483 -4.309 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.117 8.818 -3.657 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -5.705 8.680 -5.302 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.965 9.776 -4.593 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.772 9.268 -5.793 1.00 0.00 H new ATOM 180 N GLU A 15 -3.957 5.539 -4.784 1.00 0.00 N ATOM 181 CA GLU A 15 -3.010 4.921 -5.704 1.00 0.00 C ATOM 182 C GLU A 15 -3.446 3.502 -6.061 1.00 0.00 C ATOM 183 O GLU A 15 -3.477 3.127 -7.234 1.00 0.00 O ATOM 184 CB GLU A 15 -1.609 4.896 -5.089 1.00 0.00 C ATOM 185 CG GLU A 15 -0.867 6.216 -5.213 1.00 0.00 C ATOM 186 CD GLU A 15 -1.635 7.376 -4.610 1.00 0.00 C ATOM 187 OE1 GLU A 15 -1.532 7.582 -3.382 1.00 0.00 O ATOM 188 OE2 GLU A 15 -2.339 8.078 -5.366 1.00 0.00 O ATOM 0 H GLU A 15 -3.772 5.351 -3.799 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.988 5.517 -6.616 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.689 4.631 -4.035 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.024 4.113 -5.571 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.102 6.132 -4.721 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.673 6.422 -6.266 1.00 0.00 H new ATOM 195 N CYS A 16 -3.781 2.719 -5.042 1.00 0.00 N ATOM 196 CA CYS A 16 -4.214 1.341 -5.246 1.00 0.00 C ATOM 197 C CYS A 16 -5.652 1.148 -4.773 1.00 0.00 C ATOM 198 O CYS A 16 -6.434 0.439 -5.405 1.00 0.00 O ATOM 199 CB CYS A 16 -3.287 0.378 -4.502 1.00 0.00 C ATOM 200 SG CYS A 16 -3.160 0.699 -2.714 1.00 0.00 S ATOM 0 H CYS A 16 -3.761 3.015 -4.066 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.169 1.126 -6.314 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.643 -0.641 -4.653 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.292 0.436 -4.942 1.00 0.00 H new ATOM 205 N GLY A 17 -5.993 1.784 -3.656 1.00 0.00 N ATOM 206 CA GLY A 17 -7.335 1.669 -3.117 1.00 0.00 C ATOM 207 C GLY A 17 -7.365 0.950 -1.783 1.00 0.00 C ATOM 208 O GLY A 17 -8.389 0.388 -1.395 1.00 0.00 O ATOM 0 H GLY A 17 -5.363 2.377 -3.115 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.762 2.665 -2.999 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.964 1.134 -3.829 1.00 0.00 H new ATOM 212 N LYS A 18 -6.238 0.965 -1.079 1.00 0.00 N ATOM 213 CA LYS A 18 -6.138 0.309 0.219 1.00 0.00 C ATOM 214 C LYS A 18 -6.664 1.215 1.328 1.00 0.00 C ATOM 215 O LYS A 18 -6.240 2.362 1.459 1.00 0.00 O ATOM 216 CB LYS A 18 -4.685 -0.076 0.507 1.00 0.00 C ATOM 217 CG LYS A 18 -4.545 -1.320 1.369 1.00 0.00 C ATOM 218 CD LYS A 18 -3.124 -1.857 1.346 1.00 0.00 C ATOM 219 CE LYS A 18 -3.006 -3.155 2.130 1.00 0.00 C ATOM 220 NZ LYS A 18 -3.362 -2.970 3.565 1.00 0.00 N ATOM 0 H LYS A 18 -5.381 1.425 -1.386 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.749 -0.594 0.191 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.167 -0.239 -0.438 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.188 0.758 1.003 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.830 -1.087 2.395 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.231 -2.089 1.014 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.814 -2.024 0.315 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.446 -1.114 1.766 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.659 -3.907 1.688 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.987 -3.534 2.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.109 -3.826 4.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.841 -2.156 3.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.384 -2.798 3.650 1.00 0.00 H new ATOM 234 N ALA A 19 -7.590 0.690 2.125 1.00 0.00 N ATOM 235 CA ALA A 19 -8.171 1.450 3.224 1.00 0.00 C ATOM 236 C ALA A 19 -7.442 1.167 4.533 1.00 0.00 C ATOM 237 O ALA A 19 -7.006 0.042 4.782 1.00 0.00 O ATOM 238 CB ALA A 19 -9.652 1.130 3.363 1.00 0.00 C ATOM 0 H ALA A 19 -7.953 -0.258 2.029 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.059 2.510 2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.073 1.705 4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.169 1.390 2.439 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.777 0.066 3.562 1.00 0.00 H new ATOM 244 N PHE A 20 -7.311 2.193 5.367 1.00 0.00 N ATOM 245 CA PHE A 20 -6.633 2.055 6.650 1.00 0.00 C ATOM 246 C PHE A 20 -7.425 2.738 7.761 1.00 0.00 C ATOM 247 O PHE A 20 -7.595 3.957 7.758 1.00 0.00 O ATOM 248 CB PHE A 20 -5.225 2.648 6.574 1.00 0.00 C ATOM 249 CG PHE A 20 -4.416 2.126 5.421 1.00 0.00 C ATOM 250 CD1 PHE A 20 -4.664 2.562 4.129 1.00 0.00 C ATOM 251 CD2 PHE A 20 -3.408 1.199 5.629 1.00 0.00 C ATOM 252 CE1 PHE A 20 -3.922 2.084 3.066 1.00 0.00 C ATOM 253 CE2 PHE A 20 -2.662 0.717 4.570 1.00 0.00 C ATOM 254 CZ PHE A 20 -2.920 1.159 3.287 1.00 0.00 C ATOM 0 H PHE A 20 -7.666 3.130 5.177 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.560 0.992 6.881 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.300 3.732 6.493 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.698 2.433 7.504 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.447 3.284 3.951 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.203 0.849 6.630 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.125 2.433 2.064 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.878 -0.005 4.746 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.339 0.782 2.458 1.00 0.00 H new ATOM 264 N GLY A 21 -7.910 1.943 8.710 1.00 0.00 N ATOM 265 CA GLY A 21 -8.679 2.487 9.813 1.00 0.00 C ATOM 266 C GLY A 21 -7.987 3.660 10.479 1.00 0.00 C ATOM 267 O GLY A 21 -8.614 4.424 11.214 1.00 0.00 O ATOM 0 H GLY A 21 -7.784 0.931 8.734 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.656 2.804 9.449 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.853 1.704 10.552 1.00 0.00 H new ATOM 271 N LEU A 22 -6.691 3.803 10.224 1.00 0.00 N ATOM 272 CA LEU A 22 -5.913 4.891 10.806 1.00 0.00 C ATOM 273 C LEU A 22 -5.292 5.759 9.716 1.00 0.00 C ATOM 274 O LEU A 22 -5.102 5.314 8.584 1.00 0.00 O ATOM 275 CB LEU A 22 -4.816 4.331 11.714 1.00 0.00 C ATOM 276 CG LEU A 22 -5.188 4.159 13.187 1.00 0.00 C ATOM 277 CD1 LEU A 22 -4.044 3.513 13.954 1.00 0.00 C ATOM 278 CD2 LEU A 22 -5.555 5.500 13.804 1.00 0.00 C ATOM 0 H LEU A 22 -6.157 3.180 9.618 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.586 5.510 11.399 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.507 3.362 11.322 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.950 4.990 11.653 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.056 3.503 13.249 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.326 3.398 15.001 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.827 2.534 13.527 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.158 4.143 13.884 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.817 5.359 14.853 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.705 6.179 13.731 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.406 5.925 13.272 1.00 0.00 H new ATOM 290 N LYS A 23 -4.975 7.001 10.066 1.00 0.00 N ATOM 291 CA LYS A 23 -4.372 7.933 9.120 1.00 0.00 C ATOM 292 C LYS A 23 -2.923 7.553 8.831 1.00 0.00 C ATOM 293 O LYS A 23 -2.583 7.174 7.711 1.00 0.00 O ATOM 294 CB LYS A 23 -4.437 9.361 9.667 1.00 0.00 C ATOM 295 CG LYS A 23 -4.100 10.423 8.635 1.00 0.00 C ATOM 296 CD LYS A 23 -4.392 11.820 9.156 1.00 0.00 C ATOM 297 CE LYS A 23 -4.186 12.872 8.078 1.00 0.00 C ATOM 298 NZ LYS A 23 -4.744 14.194 8.478 1.00 0.00 N ATOM 0 H LYS A 23 -5.126 7.386 10.999 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.935 7.882 8.188 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.439 9.548 10.054 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.748 9.451 10.507 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.047 10.347 8.365 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.676 10.245 7.727 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.419 11.866 9.520 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.743 12.036 10.005 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.121 12.975 7.870 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.660 12.542 7.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.583 14.884 7.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.765 14.102 8.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.274 14.521 9.346 1.00 0.00 H new ATOM 312 N SER A 24 -2.075 7.657 9.849 1.00 0.00 N ATOM 313 CA SER A 24 -0.662 7.327 9.703 1.00 0.00 C ATOM 314 C SER A 24 -0.486 6.019 8.937 1.00 0.00 C ATOM 315 O SER A 24 0.408 5.894 8.101 1.00 0.00 O ATOM 316 CB SER A 24 0.003 7.220 11.077 1.00 0.00 C ATOM 317 OG SER A 24 1.240 6.535 10.993 1.00 0.00 O ATOM 0 H SER A 24 -2.342 7.967 10.783 1.00 0.00 H new ATOM 0 HA SER A 24 -0.184 8.127 9.137 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.163 8.218 11.486 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.660 6.696 11.766 1.00 0.00 H new ATOM 0 HG SER A 24 1.645 6.481 11.884 1.00 0.00 H new ATOM 323 N GLN A 25 -1.346 5.049 9.230 1.00 0.00 N ATOM 324 CA GLN A 25 -1.285 3.750 8.570 1.00 0.00 C ATOM 325 C GLN A 25 -1.251 3.911 7.054 1.00 0.00 C ATOM 326 O GLN A 25 -0.505 3.218 6.362 1.00 0.00 O ATOM 327 CB GLN A 25 -2.484 2.891 8.976 1.00 0.00 C ATOM 328 CG GLN A 25 -2.425 2.408 10.417 1.00 0.00 C ATOM 329 CD GLN A 25 -1.132 1.685 10.738 1.00 0.00 C ATOM 330 OE1 GLN A 25 -0.703 0.799 9.998 1.00 0.00 O ATOM 331 NE2 GLN A 25 -0.504 2.059 11.846 1.00 0.00 N ATOM 0 H GLN A 25 -2.093 5.138 9.919 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.367 3.253 8.885 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.398 3.466 8.831 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.543 2.027 8.314 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.536 3.261 11.087 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.266 1.742 10.608 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.896 2.798 12.430 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.371 1.607 12.114 1.00 0.00 H new ATOM 340 N LEU A 26 -2.063 4.830 6.543 1.00 0.00 N ATOM 341 CA LEU A 26 -2.126 5.083 5.108 1.00 0.00 C ATOM 342 C LEU A 26 -0.923 5.898 4.645 1.00 0.00 C ATOM 343 O LEU A 26 -0.350 5.632 3.588 1.00 0.00 O ATOM 344 CB LEU A 26 -3.420 5.819 4.756 1.00 0.00 C ATOM 345 CG LEU A 26 -3.523 6.351 3.327 1.00 0.00 C ATOM 346 CD1 LEU A 26 -3.666 5.204 2.339 1.00 0.00 C ATOM 347 CD2 LEU A 26 -4.692 7.316 3.199 1.00 0.00 C ATOM 0 H LEU A 26 -2.687 5.412 7.101 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.110 4.122 4.594 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.258 5.144 4.932 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.536 6.657 5.443 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.605 6.891 3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.738 5.602 1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.796 4.551 2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.567 4.635 2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.749 7.684 2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.619 6.801 3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.547 8.156 3.879 1.00 0.00 H new ATOM 359 N ILE A 27 -0.543 6.890 5.444 1.00 0.00 N ATOM 360 CA ILE A 27 0.594 7.741 5.118 1.00 0.00 C ATOM 361 C ILE A 27 1.847 6.910 4.861 1.00 0.00 C ATOM 362 O ILE A 27 2.608 7.187 3.934 1.00 0.00 O ATOM 363 CB ILE A 27 0.883 8.750 6.244 1.00 0.00 C ATOM 364 CG1 ILE A 27 -0.403 9.469 6.657 1.00 0.00 C ATOM 365 CG2 ILE A 27 1.937 9.753 5.798 1.00 0.00 C ATOM 366 CD1 ILE A 27 -0.180 10.576 7.663 1.00 0.00 C ATOM 0 H ILE A 27 -1.007 7.124 6.322 1.00 0.00 H new ATOM 0 HA ILE A 27 0.330 8.286 4.212 1.00 0.00 H new ATOM 0 HB ILE A 27 1.267 8.208 7.108 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.878 9.886 5.769 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.097 8.742 7.077 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.131 10.460 6.605 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.858 9.226 5.548 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.578 10.292 4.921 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.134 11.041 7.910 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.266 10.162 8.567 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.489 11.324 7.238 1.00 0.00 H new ATOM 378 N ILE A 28 2.052 5.889 5.687 1.00 0.00 N ATOM 379 CA ILE A 28 3.211 5.016 5.547 1.00 0.00 C ATOM 380 C ILE A 28 3.082 4.124 4.317 1.00 0.00 C ATOM 381 O ILE A 28 4.077 3.792 3.671 1.00 0.00 O ATOM 382 CB ILE A 28 3.401 4.129 6.792 1.00 0.00 C ATOM 383 CG1 ILE A 28 3.502 4.994 8.050 1.00 0.00 C ATOM 384 CG2 ILE A 28 4.640 3.260 6.640 1.00 0.00 C ATOM 385 CD1 ILE A 28 3.000 4.305 9.300 1.00 0.00 C ATOM 0 H ILE A 28 1.431 5.646 6.459 1.00 0.00 H new ATOM 0 HA ILE A 28 4.081 5.663 5.435 1.00 0.00 H new ATOM 0 HB ILE A 28 2.534 3.476 6.890 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.542 5.285 8.198 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.933 5.911 7.897 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.760 2.639 7.528 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.531 2.622 5.763 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.518 3.895 6.520 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.102 4.977 10.152 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.951 4.038 9.172 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.585 3.403 9.478 1.00 0.00 H new ATOM 397 N HIS A 29 1.851 3.741 3.997 1.00 0.00 N ATOM 398 CA HIS A 29 1.591 2.889 2.842 1.00 0.00 C ATOM 399 C HIS A 29 1.812 3.656 1.541 1.00 0.00 C ATOM 400 O HIS A 29 2.567 3.219 0.673 1.00 0.00 O ATOM 401 CB HIS A 29 0.162 2.348 2.892 1.00 0.00 C ATOM 402 CG HIS A 29 -0.255 1.642 1.638 1.00 0.00 C ATOM 403 ND1 HIS A 29 0.111 0.345 1.347 1.00 0.00 N ATOM 404 CD2 HIS A 29 -1.014 2.060 0.598 1.00 0.00 C ATOM 405 CE1 HIS A 29 -0.403 -0.004 0.181 1.00 0.00 C ATOM 406 NE2 HIS A 29 -1.090 1.018 -0.294 1.00 0.00 N ATOM 0 H HIS A 29 1.017 4.007 4.521 1.00 0.00 H new ATOM 0 HA HIS A 29 2.289 2.053 2.874 1.00 0.00 H new ATOM 0 HB2 HIS A 29 0.072 1.661 3.733 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.524 3.174 3.080 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.474 3.031 0.490 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.282 -0.963 -0.301 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -1.595 1.032 -1.180 1.00 0.00 H new ATOM 414 N GLU A 30 1.147 4.800 1.414 1.00 0.00 N ATOM 415 CA GLU A 30 1.270 5.625 0.218 1.00 0.00 C ATOM 416 C GLU A 30 2.734 5.794 -0.178 1.00 0.00 C ATOM 417 O GLU A 30 3.046 6.092 -1.331 1.00 0.00 O ATOM 418 CB GLU A 30 0.631 6.996 0.450 1.00 0.00 C ATOM 419 CG GLU A 30 -0.843 6.928 0.811 1.00 0.00 C ATOM 420 CD GLU A 30 -1.363 8.231 1.387 1.00 0.00 C ATOM 421 OE1 GLU A 30 -0.546 9.016 1.912 1.00 0.00 O ATOM 422 OE2 GLU A 30 -2.588 8.464 1.313 1.00 0.00 O ATOM 0 H GLU A 30 0.518 5.176 2.124 1.00 0.00 H new ATOM 0 HA GLU A 30 0.748 5.122 -0.595 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.169 7.507 1.248 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.748 7.599 -0.450 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.420 6.672 -0.078 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.000 6.127 1.534 1.00 0.00 H new ATOM 429 N ARG A 31 3.628 5.602 0.787 1.00 0.00 N ATOM 430 CA ARG A 31 5.058 5.735 0.540 1.00 0.00 C ATOM 431 C ARG A 31 5.502 4.817 -0.595 1.00 0.00 C ATOM 432 O ARG A 31 6.363 5.177 -1.398 1.00 0.00 O ATOM 433 CB ARG A 31 5.848 5.412 1.810 1.00 0.00 C ATOM 434 CG ARG A 31 5.611 6.398 2.942 1.00 0.00 C ATOM 435 CD ARG A 31 6.368 5.997 4.198 1.00 0.00 C ATOM 436 NE ARG A 31 7.792 6.306 4.101 1.00 0.00 N ATOM 437 CZ ARG A 31 8.649 6.148 5.103 1.00 0.00 C ATOM 438 NH1 ARG A 31 8.228 5.685 6.273 1.00 0.00 N ATOM 439 NH2 ARG A 31 9.930 6.452 4.938 1.00 0.00 N ATOM 0 H ARG A 31 3.387 5.354 1.747 1.00 0.00 H new ATOM 0 HA ARG A 31 5.257 6.766 0.248 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.581 4.411 2.149 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.911 5.394 1.572 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.924 7.394 2.630 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.545 6.453 3.161 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.943 6.514 5.058 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.240 4.929 4.373 1.00 0.00 H new ATOM 0 HE ARG A 31 8.148 6.663 3.214 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.244 5.450 6.404 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.888 5.564 7.041 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.258 6.808 4.040 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.587 6.330 5.709 1.00 0.00 H new ATOM 453 N ILE A 32 4.909 3.629 -0.654 1.00 0.00 N ATOM 454 CA ILE A 32 5.243 2.660 -1.691 1.00 0.00 C ATOM 455 C ILE A 32 5.154 3.287 -3.078 1.00 0.00 C ATOM 456 O ILE A 32 5.906 2.925 -3.984 1.00 0.00 O ATOM 457 CB ILE A 32 4.314 1.433 -1.634 1.00 0.00 C ATOM 458 CG1 ILE A 32 2.927 1.790 -2.172 1.00 0.00 C ATOM 459 CG2 ILE A 32 4.217 0.908 -0.209 1.00 0.00 C ATOM 460 CD1 ILE A 32 2.018 0.593 -2.340 1.00 0.00 C ATOM 0 H ILE A 32 4.195 3.315 0.004 1.00 0.00 H new ATOM 0 HA ILE A 32 6.268 2.339 -1.505 1.00 0.00 H new ATOM 0 HB ILE A 32 4.735 0.648 -2.262 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.456 2.502 -1.494 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.037 2.290 -3.134 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.557 0.041 -0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.208 0.619 0.141 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.816 1.687 0.439 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.052 0.921 -2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.468 -0.110 -3.041 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.878 0.105 -1.376 1.00 0.00 H new ATOM 472 N HIS A 33 4.230 4.229 -3.238 1.00 0.00 N ATOM 473 CA HIS A 33 4.045 4.909 -4.515 1.00 0.00 C ATOM 474 C HIS A 33 4.958 6.127 -4.620 1.00 0.00 C ATOM 475 O HIS A 33 5.634 6.324 -5.631 1.00 0.00 O ATOM 476 CB HIS A 33 2.586 5.335 -4.683 1.00 0.00 C ATOM 477 CG HIS A 33 1.606 4.236 -4.408 1.00 0.00 C ATOM 478 ND1 HIS A 33 1.454 3.140 -5.232 1.00 0.00 N ATOM 479 CD2 HIS A 33 0.726 4.067 -3.393 1.00 0.00 C ATOM 480 CE1 HIS A 33 0.522 2.346 -4.736 1.00 0.00 C ATOM 481 NE2 HIS A 33 0.065 2.885 -3.620 1.00 0.00 N ATOM 0 H HIS A 33 3.598 4.539 -2.500 1.00 0.00 H new ATOM 0 HA HIS A 33 4.306 4.212 -5.311 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.380 6.170 -4.013 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.437 5.698 -5.700 1.00 0.00 H new ATOM 0 HD1 HIS A 33 1.979 2.969 -6.090 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.573 4.737 -2.560 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.190 1.414 -5.169 1.00 0.00 H new ATOM 489 N THR A 34 4.973 6.942 -3.570 1.00 0.00 N ATOM 490 CA THR A 34 5.801 8.141 -3.545 1.00 0.00 C ATOM 491 C THR A 34 7.110 7.921 -4.294 1.00 0.00 C ATOM 492 O THR A 34 7.581 8.802 -5.012 1.00 0.00 O ATOM 493 CB THR A 34 6.115 8.576 -2.101 1.00 0.00 C ATOM 494 OG1 THR A 34 6.891 7.568 -1.444 1.00 0.00 O ATOM 495 CG2 THR A 34 4.834 8.827 -1.320 1.00 0.00 C ATOM 0 H THR A 34 4.421 6.793 -2.725 1.00 0.00 H new ATOM 0 HA THR A 34 5.232 8.929 -4.038 1.00 0.00 H new ATOM 0 HB THR A 34 6.685 9.504 -2.140 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.532 6.683 -1.665 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.082 9.133 -0.304 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.260 9.615 -1.807 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.241 7.913 -1.290 1.00 0.00 H new ATOM 503 N GLY A 35 7.694 6.738 -4.122 1.00 0.00 N ATOM 504 CA GLY A 35 8.943 6.424 -4.789 1.00 0.00 C ATOM 505 C GLY A 35 8.779 6.277 -6.289 1.00 0.00 C ATOM 506 O GLY A 35 9.264 7.107 -7.057 1.00 0.00 O ATOM 0 H GLY A 35 7.324 5.992 -3.533 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.670 7.210 -4.581 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.348 5.499 -4.379 1.00 0.00 H new ATOM 510 N GLU A 36 8.095 5.216 -6.706 1.00 0.00 N ATOM 511 CA GLU A 36 7.871 4.962 -8.125 1.00 0.00 C ATOM 512 C GLU A 36 6.422 5.250 -8.507 1.00 0.00 C ATOM 513 O GLU A 36 5.618 4.333 -8.671 1.00 0.00 O ATOM 514 CB GLU A 36 8.222 3.513 -8.468 1.00 0.00 C ATOM 515 CG GLU A 36 9.717 3.249 -8.536 1.00 0.00 C ATOM 516 CD GLU A 36 10.369 3.234 -7.167 1.00 0.00 C ATOM 517 OE1 GLU A 36 9.869 2.514 -6.279 1.00 0.00 O ATOM 518 OE2 GLU A 36 11.381 3.943 -6.985 1.00 0.00 O ATOM 0 H GLU A 36 7.687 4.519 -6.083 1.00 0.00 H new ATOM 0 HA GLU A 36 8.518 5.629 -8.694 1.00 0.00 H new ATOM 0 HB2 GLU A 36 7.779 2.854 -7.721 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.772 3.256 -9.427 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.891 2.292 -9.028 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.190 4.014 -9.151 1.00 0.00 H new ATOM 525 N SER A 37 6.096 6.531 -8.646 1.00 0.00 N ATOM 526 CA SER A 37 4.743 6.942 -9.004 1.00 0.00 C ATOM 527 C SER A 37 4.645 7.244 -10.496 1.00 0.00 C ATOM 528 O SER A 37 3.946 8.169 -10.909 1.00 0.00 O ATOM 529 CB SER A 37 4.329 8.172 -8.194 1.00 0.00 C ATOM 530 OG SER A 37 5.080 9.311 -8.578 1.00 0.00 O ATOM 0 H SER A 37 6.750 7.303 -8.516 1.00 0.00 H new ATOM 0 HA SER A 37 4.066 6.120 -8.772 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.267 8.367 -8.340 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.475 7.978 -7.131 1.00 0.00 H new ATOM 0 HG SER A 37 4.796 10.084 -8.047 1.00 0.00 H new ATOM 536 N GLY A 38 5.351 6.456 -11.302 1.00 0.00 N ATOM 537 CA GLY A 38 5.330 6.655 -12.739 1.00 0.00 C ATOM 538 C GLY A 38 6.054 7.918 -13.160 1.00 0.00 C ATOM 539 O GLY A 38 6.642 8.625 -12.341 1.00 0.00 O ATOM 0 H GLY A 38 5.937 5.684 -10.985 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.790 5.796 -13.228 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.296 6.701 -13.081 1.00 0.00 H new ATOM 543 N PRO A 39 6.019 8.217 -14.467 1.00 0.00 N ATOM 544 CA PRO A 39 6.674 9.404 -15.026 1.00 0.00 C ATOM 545 C PRO A 39 5.980 10.697 -14.611 1.00 0.00 C ATOM 546 O PRO A 39 6.446 11.792 -14.929 1.00 0.00 O ATOM 547 CB PRO A 39 6.557 9.195 -16.538 1.00 0.00 C ATOM 548 CG PRO A 39 5.366 8.316 -16.708 1.00 0.00 C ATOM 549 CD PRO A 39 5.338 7.420 -15.501 1.00 0.00 C ATOM 0 HA PRO A 39 7.701 9.507 -14.675 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.427 10.143 -17.060 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.455 8.728 -16.944 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.452 8.906 -16.777 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.439 7.732 -17.626 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.318 7.171 -15.209 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.855 6.479 -15.688 1.00 0.00 H new ATOM 557 N SER A 40 4.866 10.564 -13.900 1.00 0.00 N ATOM 558 CA SER A 40 4.106 11.723 -13.445 1.00 0.00 C ATOM 559 C SER A 40 5.012 12.716 -12.724 1.00 0.00 C ATOM 560 O SER A 40 5.103 13.882 -13.109 1.00 0.00 O ATOM 561 CB SER A 40 2.972 11.283 -12.517 1.00 0.00 C ATOM 562 OG SER A 40 2.274 10.173 -13.055 1.00 0.00 O ATOM 0 H SER A 40 4.469 9.665 -13.626 1.00 0.00 H new ATOM 0 HA SER A 40 3.680 12.214 -14.320 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.378 11.022 -11.540 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.281 12.112 -12.364 1.00 0.00 H new ATOM 0 HG SER A 40 1.556 9.910 -12.442 1.00 0.00 H new ATOM 568 N SER A 41 5.679 12.246 -11.674 1.00 0.00 N ATOM 569 CA SER A 41 6.575 13.094 -10.896 1.00 0.00 C ATOM 570 C SER A 41 7.747 13.571 -11.747 1.00 0.00 C ATOM 571 O SER A 41 8.312 12.808 -12.530 1.00 0.00 O ATOM 572 CB SER A 41 7.093 12.335 -9.673 1.00 0.00 C ATOM 573 OG SER A 41 7.375 13.223 -8.604 1.00 0.00 O ATOM 0 H SER A 41 5.616 11.283 -11.343 1.00 0.00 H new ATOM 0 HA SER A 41 6.013 13.966 -10.563 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.352 11.602 -9.355 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.994 11.783 -9.939 1.00 0.00 H new ATOM 0 HG SER A 41 7.703 12.714 -7.834 1.00 0.00 H new ATOM 579 N GLY A 42 8.109 14.841 -11.588 1.00 0.00 N ATOM 580 CA GLY A 42 9.212 15.399 -12.348 1.00 0.00 C ATOM 581 C GLY A 42 10.553 15.160 -11.683 1.00 0.00 C ATOM 582 O GLY A 42 10.883 14.011 -11.397 1.00 0.00 O ATOM 0 H GLY A 42 7.658 15.493 -10.946 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.221 14.960 -13.345 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.058 16.471 -12.473 1.00 0.00 H new TER 586 GLY A 42 HETATM 587 ZN ZN A 201 -1.670 2.398 -2.130 1.00 0.00 ZN