USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, rem=0, adj=10 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 26:sc= 1 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= -0.0421 USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-1) 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= -0.0554 USER MOD Single : A 25 GLN : amide:sc= -0.293 X(o=-0.29,f=-0.29) USER MOD Single : A 29 HIS : no HD1:sc= -2.11! C(o=-2.1!,f=-6.3!) USER MOD Single : A 34 THR OG1 : rot -34:sc= 0.778 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 44:sc= 1.19 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.012 -11.149 -4.816 1.00 0.00 N ATOM 2 CA GLY A 1 -7.392 -9.994 -4.023 1.00 0.00 C ATOM 3 C GLY A 1 -7.148 -10.202 -2.542 1.00 0.00 C ATOM 4 O GLY A 1 -7.430 -11.273 -2.003 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.198 -10.957 -5.821 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.999 -11.344 -4.683 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.566 -11.975 -4.513 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.830 -9.124 -4.362 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.447 -9.776 -4.187 1.00 0.00 H new ATOM 8 N SER A 2 -6.619 -9.178 -1.881 1.00 0.00 N ATOM 9 CA SER A 2 -6.331 -9.255 -0.453 1.00 0.00 C ATOM 10 C SER A 2 -6.951 -8.076 0.291 1.00 0.00 C ATOM 11 O SER A 2 -6.609 -6.920 0.039 1.00 0.00 O ATOM 12 CB SER A 2 -4.820 -9.285 -0.217 1.00 0.00 C ATOM 13 OG SER A 2 -4.305 -10.596 -0.374 1.00 0.00 O ATOM 0 H SER A 2 -6.381 -8.284 -2.311 1.00 0.00 H new ATOM 0 HA SER A 2 -6.770 -10.176 -0.068 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.326 -8.611 -0.917 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.598 -8.922 0.786 1.00 0.00 H new ATOM 0 HG SER A 2 -3.337 -10.588 -0.220 1.00 0.00 H new ATOM 19 N SER A 3 -7.864 -8.377 1.209 1.00 0.00 N ATOM 20 CA SER A 3 -8.534 -7.342 1.987 1.00 0.00 C ATOM 21 C SER A 3 -9.154 -7.930 3.252 1.00 0.00 C ATOM 22 O SER A 3 -9.664 -9.049 3.244 1.00 0.00 O ATOM 23 CB SER A 3 -9.615 -6.661 1.146 1.00 0.00 C ATOM 24 OG SER A 3 -9.054 -5.675 0.296 1.00 0.00 O ATOM 0 H SER A 3 -8.156 -9.328 1.432 1.00 0.00 H new ATOM 0 HA SER A 3 -7.789 -6.601 2.278 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.138 -7.407 0.547 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.355 -6.202 1.802 1.00 0.00 H new ATOM 0 HG SER A 3 -8.120 -5.901 0.105 1.00 0.00 H new ATOM 30 N GLY A 4 -9.104 -7.165 4.338 1.00 0.00 N ATOM 31 CA GLY A 4 -9.663 -7.626 5.596 1.00 0.00 C ATOM 32 C GLY A 4 -11.093 -7.165 5.798 1.00 0.00 C ATOM 33 O GLY A 4 -11.919 -7.901 6.338 1.00 0.00 O ATOM 0 H GLY A 4 -8.687 -6.235 4.369 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.627 -8.715 5.629 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.047 -7.262 6.419 1.00 0.00 H new ATOM 37 N SER A 5 -11.386 -5.943 5.366 1.00 0.00 N ATOM 38 CA SER A 5 -12.725 -5.383 5.508 1.00 0.00 C ATOM 39 C SER A 5 -13.166 -5.392 6.968 1.00 0.00 C ATOM 40 O SER A 5 -14.272 -5.824 7.291 1.00 0.00 O ATOM 41 CB SER A 5 -13.723 -6.170 4.657 1.00 0.00 C ATOM 42 OG SER A 5 -13.673 -5.760 3.301 1.00 0.00 O ATOM 0 H SER A 5 -10.715 -5.322 4.915 1.00 0.00 H new ATOM 0 HA SER A 5 -12.698 -4.350 5.161 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.504 -7.235 4.726 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.731 -6.026 5.047 1.00 0.00 H new ATOM 0 HG SER A 5 -14.319 -6.279 2.778 1.00 0.00 H new ATOM 48 N SER A 6 -12.292 -4.912 7.847 1.00 0.00 N ATOM 49 CA SER A 6 -12.588 -4.868 9.274 1.00 0.00 C ATOM 50 C SER A 6 -12.680 -3.426 9.765 1.00 0.00 C ATOM 51 O SER A 6 -11.742 -2.645 9.612 1.00 0.00 O ATOM 52 CB SER A 6 -11.515 -5.620 10.063 1.00 0.00 C ATOM 53 OG SER A 6 -11.569 -7.011 9.798 1.00 0.00 O ATOM 0 H SER A 6 -11.373 -4.548 7.596 1.00 0.00 H new ATOM 0 HA SER A 6 -13.552 -5.351 9.435 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.530 -5.235 9.801 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.653 -5.444 11.130 1.00 0.00 H new ATOM 0 HG SER A 6 -10.872 -7.469 10.313 1.00 0.00 H new ATOM 59 N GLY A 7 -13.819 -3.081 10.357 1.00 0.00 N ATOM 60 CA GLY A 7 -14.014 -1.734 10.863 1.00 0.00 C ATOM 61 C GLY A 7 -13.993 -0.693 9.761 1.00 0.00 C ATOM 62 O GLY A 7 -13.435 -0.927 8.689 1.00 0.00 O ATOM 0 H GLY A 7 -14.610 -3.710 10.495 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.966 -1.681 11.390 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.234 -1.506 11.590 1.00 0.00 H new ATOM 66 N GLN A 8 -14.602 0.458 10.025 1.00 0.00 N ATOM 67 CA GLN A 8 -14.653 1.538 9.046 1.00 0.00 C ATOM 68 C GLN A 8 -13.259 2.097 8.781 1.00 0.00 C ATOM 69 O GLN A 8 -12.469 2.290 9.706 1.00 0.00 O ATOM 70 CB GLN A 8 -15.579 2.653 9.533 1.00 0.00 C ATOM 71 CG GLN A 8 -15.037 3.414 10.733 1.00 0.00 C ATOM 72 CD GLN A 8 -16.136 3.965 11.619 1.00 0.00 C ATOM 73 OE1 GLN A 8 -16.446 5.156 11.576 1.00 0.00 O ATOM 74 NE2 GLN A 8 -16.733 3.100 12.431 1.00 0.00 N ATOM 0 H GLN A 8 -15.067 0.667 10.908 1.00 0.00 H new ATOM 0 HA GLN A 8 -15.045 1.132 8.114 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -15.751 3.354 8.716 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -16.546 2.223 9.793 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -14.399 2.753 11.320 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -14.410 4.235 10.385 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -16.445 2.122 12.435 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -17.480 3.414 13.051 1.00 0.00 H new ATOM 83 N LYS A 9 -12.962 2.355 7.512 1.00 0.00 N ATOM 84 CA LYS A 9 -11.664 2.893 7.123 1.00 0.00 C ATOM 85 C LYS A 9 -11.826 4.058 6.152 1.00 0.00 C ATOM 86 O LYS A 9 -11.964 3.873 4.942 1.00 0.00 O ATOM 87 CB LYS A 9 -10.805 1.799 6.485 1.00 0.00 C ATOM 88 CG LYS A 9 -10.455 0.668 7.437 1.00 0.00 C ATOM 89 CD LYS A 9 -9.498 -0.324 6.797 1.00 0.00 C ATOM 90 CE LYS A 9 -9.703 -1.728 7.344 1.00 0.00 C ATOM 91 NZ LYS A 9 -8.443 -2.521 7.322 1.00 0.00 N ATOM 0 H LYS A 9 -13.604 2.200 6.734 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.167 3.259 8.022 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.334 1.388 5.625 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.884 2.245 6.109 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.004 1.078 8.341 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.366 0.152 7.741 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.645 -0.328 5.717 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.470 -0.008 6.978 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.077 -1.669 8.366 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.464 -2.240 6.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.624 -3.472 7.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.099 -2.600 6.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.724 -2.046 7.904 1.00 0.00 H new ATOM 105 N PRO A 10 -11.809 5.286 6.690 1.00 0.00 N ATOM 106 CA PRO A 10 -11.951 6.504 5.888 1.00 0.00 C ATOM 107 C PRO A 10 -10.732 6.765 5.009 1.00 0.00 C ATOM 108 O PRO A 10 -10.860 7.219 3.872 1.00 0.00 O ATOM 109 CB PRO A 10 -12.098 7.607 6.939 1.00 0.00 C ATOM 110 CG PRO A 10 -11.422 7.066 8.152 1.00 0.00 C ATOM 111 CD PRO A 10 -11.648 5.580 8.124 1.00 0.00 C ATOM 0 HA PRO A 10 -12.792 6.440 5.197 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.633 8.535 6.607 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -13.147 7.829 7.136 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.357 7.299 8.142 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.836 7.507 9.059 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.806 5.037 8.553 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.533 5.297 8.694 1.00 0.00 H new ATOM 119 N TYR A 11 -9.551 6.476 5.544 1.00 0.00 N ATOM 120 CA TYR A 11 -8.308 6.682 4.809 1.00 0.00 C ATOM 121 C TYR A 11 -8.127 5.613 3.736 1.00 0.00 C ATOM 122 O TYR A 11 -7.717 4.488 4.025 1.00 0.00 O ATOM 123 CB TYR A 11 -7.116 6.666 5.767 1.00 0.00 C ATOM 124 CG TYR A 11 -7.315 7.525 6.995 1.00 0.00 C ATOM 125 CD1 TYR A 11 -7.993 7.037 8.105 1.00 0.00 C ATOM 126 CD2 TYR A 11 -6.825 8.824 7.045 1.00 0.00 C ATOM 127 CE1 TYR A 11 -8.178 7.819 9.229 1.00 0.00 C ATOM 128 CE2 TYR A 11 -7.003 9.612 8.166 1.00 0.00 C ATOM 129 CZ TYR A 11 -7.681 9.105 9.255 1.00 0.00 C ATOM 130 OH TYR A 11 -7.862 9.887 10.373 1.00 0.00 O ATOM 0 H TYR A 11 -9.428 6.099 6.484 1.00 0.00 H new ATOM 0 HA TYR A 11 -8.360 7.656 4.322 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -6.925 5.639 6.079 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -6.228 7.008 5.235 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -8.382 6.030 8.089 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -6.296 9.225 6.193 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -8.709 7.425 10.083 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -6.614 10.619 8.189 1.00 0.00 H new ATOM 0 HH TYR A 11 -7.450 10.765 10.229 1.00 0.00 H new ATOM 140 N VAL A 12 -8.435 5.972 2.493 1.00 0.00 N ATOM 141 CA VAL A 12 -8.305 5.046 1.375 1.00 0.00 C ATOM 142 C VAL A 12 -7.255 5.529 0.381 1.00 0.00 C ATOM 143 O VAL A 12 -7.234 6.701 0.004 1.00 0.00 O ATOM 144 CB VAL A 12 -9.646 4.861 0.640 1.00 0.00 C ATOM 145 CG1 VAL A 12 -9.480 3.928 -0.549 1.00 0.00 C ATOM 146 CG2 VAL A 12 -10.708 4.337 1.595 1.00 0.00 C ATOM 0 H VAL A 12 -8.776 6.898 2.236 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.993 4.088 1.792 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.972 5.831 0.266 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.438 3.810 -1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.752 4.349 -1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.130 2.955 -0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.649 4.212 1.059 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.391 3.376 2.000 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.846 5.047 2.411 1.00 0.00 H new ATOM 156 N CYS A 13 -6.386 4.618 -0.043 1.00 0.00 N ATOM 157 CA CYS A 13 -5.332 4.949 -0.994 1.00 0.00 C ATOM 158 C CYS A 13 -5.911 5.186 -2.386 1.00 0.00 C ATOM 159 O CYS A 13 -6.694 4.380 -2.889 1.00 0.00 O ATOM 160 CB CYS A 13 -4.292 3.829 -1.046 1.00 0.00 C ATOM 161 SG CYS A 13 -2.656 4.360 -1.646 1.00 0.00 S ATOM 0 H CYS A 13 -6.391 3.643 0.258 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.850 5.867 -0.659 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.181 3.404 -0.048 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.663 3.033 -1.692 1.00 0.00 H new ATOM 166 N ASN A 14 -5.520 6.296 -3.003 1.00 0.00 N ATOM 167 CA ASN A 14 -6.000 6.639 -4.337 1.00 0.00 C ATOM 168 C ASN A 14 -5.103 6.031 -5.411 1.00 0.00 C ATOM 169 O ASN A 14 -5.378 6.153 -6.604 1.00 0.00 O ATOM 170 CB ASN A 14 -6.057 8.159 -4.506 1.00 0.00 C ATOM 171 CG ASN A 14 -7.283 8.767 -3.852 1.00 0.00 C ATOM 172 OD1 ASN A 14 -7.965 8.117 -3.059 1.00 0.00 O ATOM 173 ND2 ASN A 14 -7.569 10.021 -4.183 1.00 0.00 N ATOM 0 H ASN A 14 -4.872 6.973 -2.601 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.003 6.229 -4.451 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.160 8.604 -4.075 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -6.056 8.404 -5.568 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.382 10.483 -3.776 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.976 10.522 -4.845 1.00 0.00 H new ATOM 180 N GLU A 15 -4.032 5.374 -4.977 1.00 0.00 N ATOM 181 CA GLU A 15 -3.095 4.747 -5.902 1.00 0.00 C ATOM 182 C GLU A 15 -3.513 3.312 -6.210 1.00 0.00 C ATOM 183 O GLU A 15 -3.528 2.892 -7.368 1.00 0.00 O ATOM 184 CB GLU A 15 -1.680 4.763 -5.320 1.00 0.00 C ATOM 185 CG GLU A 15 -0.965 6.093 -5.495 1.00 0.00 C ATOM 186 CD GLU A 15 -0.849 6.504 -6.950 1.00 0.00 C ATOM 187 OE1 GLU A 15 -0.748 5.608 -7.814 1.00 0.00 O ATOM 188 OE2 GLU A 15 -0.858 7.722 -7.225 1.00 0.00 O ATOM 0 H GLU A 15 -3.792 5.262 -3.992 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.105 5.318 -6.830 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.730 4.524 -4.258 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.092 3.978 -5.796 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.502 6.865 -4.945 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.032 6.026 -5.059 1.00 0.00 H new ATOM 195 N CYS A 16 -3.853 2.564 -5.166 1.00 0.00 N ATOM 196 CA CYS A 16 -4.270 1.176 -5.322 1.00 0.00 C ATOM 197 C CYS A 16 -5.692 0.974 -4.806 1.00 0.00 C ATOM 198 O CYS A 16 -6.493 0.271 -5.420 1.00 0.00 O ATOM 199 CB CYS A 16 -3.310 0.245 -4.579 1.00 0.00 C ATOM 200 SG CYS A 16 -3.176 0.586 -2.794 1.00 0.00 S ATOM 0 H CYS A 16 -3.848 2.896 -4.202 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.249 0.935 -6.385 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.639 -0.785 -4.718 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.321 0.327 -5.029 1.00 0.00 H new ATOM 205 N GLY A 17 -5.998 1.598 -3.672 1.00 0.00 N ATOM 206 CA GLY A 17 -7.323 1.475 -3.092 1.00 0.00 C ATOM 207 C GLY A 17 -7.299 0.817 -1.726 1.00 0.00 C ATOM 208 O GLY A 17 -8.312 0.291 -1.264 1.00 0.00 O ATOM 0 H GLY A 17 -5.352 2.186 -3.145 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.773 2.464 -3.008 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.957 0.893 -3.761 1.00 0.00 H new ATOM 212 N LYS A 18 -6.140 0.845 -1.078 1.00 0.00 N ATOM 213 CA LYS A 18 -5.986 0.247 0.243 1.00 0.00 C ATOM 214 C LYS A 18 -6.516 1.181 1.327 1.00 0.00 C ATOM 215 O LYS A 18 -6.113 2.340 1.412 1.00 0.00 O ATOM 216 CB LYS A 18 -4.515 -0.079 0.510 1.00 0.00 C ATOM 217 CG LYS A 18 -4.314 -1.232 1.478 1.00 0.00 C ATOM 218 CD LYS A 18 -2.921 -1.826 1.356 1.00 0.00 C ATOM 219 CE LYS A 18 -2.703 -2.947 2.361 1.00 0.00 C ATOM 220 NZ LYS A 18 -1.275 -3.056 2.769 1.00 0.00 N ATOM 0 H LYS A 18 -5.292 1.276 -1.447 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.566 -0.676 0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.027 -0.320 -0.435 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.021 0.808 0.907 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.474 -0.884 2.498 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.058 -2.005 1.285 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.774 -2.208 0.346 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.176 -1.045 1.513 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.320 -2.770 3.242 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.030 -3.892 1.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.168 -3.831 3.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.689 -3.250 1.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.970 -2.163 3.206 1.00 0.00 H new ATOM 234 N ALA A 19 -7.420 0.666 2.154 1.00 0.00 N ATOM 235 CA ALA A 19 -8.001 1.453 3.235 1.00 0.00 C ATOM 236 C ALA A 19 -7.266 1.209 4.548 1.00 0.00 C ATOM 237 O ALA A 19 -6.728 0.126 4.779 1.00 0.00 O ATOM 238 CB ALA A 19 -9.480 1.128 3.388 1.00 0.00 C ATOM 0 H ALA A 19 -7.766 -0.292 2.096 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.896 2.508 2.981 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -9.901 1.723 4.199 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.001 1.360 2.459 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.598 0.069 3.616 1.00 0.00 H new ATOM 244 N PHE A 20 -7.245 2.224 5.406 1.00 0.00 N ATOM 245 CA PHE A 20 -6.573 2.120 6.697 1.00 0.00 C ATOM 246 C PHE A 20 -7.369 2.838 7.783 1.00 0.00 C ATOM 247 O PHE A 20 -7.427 4.066 7.816 1.00 0.00 O ATOM 248 CB PHE A 20 -5.163 2.707 6.610 1.00 0.00 C ATOM 249 CG PHE A 20 -4.346 2.140 5.484 1.00 0.00 C ATOM 250 CD1 PHE A 20 -4.567 2.544 4.178 1.00 0.00 C ATOM 251 CD2 PHE A 20 -3.357 1.201 5.732 1.00 0.00 C ATOM 252 CE1 PHE A 20 -3.817 2.025 3.139 1.00 0.00 C ATOM 253 CE2 PHE A 20 -2.604 0.679 4.698 1.00 0.00 C ATOM 254 CZ PHE A 20 -2.835 1.090 3.400 1.00 0.00 C ATOM 0 H PHE A 20 -7.685 3.127 5.231 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.504 1.064 6.959 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.235 3.788 6.488 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.644 2.527 7.551 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.335 3.274 3.968 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.173 0.874 6.745 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.999 2.350 2.125 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.835 -0.050 4.905 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.249 0.681 2.591 1.00 0.00 H new ATOM 264 N GLY A 21 -7.981 2.060 8.671 1.00 0.00 N ATOM 265 CA GLY A 21 -8.766 2.638 9.747 1.00 0.00 C ATOM 266 C GLY A 21 -8.071 3.815 10.404 1.00 0.00 C ATOM 267 O GLY A 21 -8.716 4.650 11.040 1.00 0.00 O ATOM 0 H GLY A 21 -7.947 1.041 8.665 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.730 2.962 9.356 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.967 1.873 10.497 1.00 0.00 H new ATOM 271 N LEU A 22 -6.753 3.881 10.252 1.00 0.00 N ATOM 272 CA LEU A 22 -5.969 4.963 10.838 1.00 0.00 C ATOM 273 C LEU A 22 -5.340 5.829 9.751 1.00 0.00 C ATOM 274 O LEU A 22 -5.145 5.382 8.621 1.00 0.00 O ATOM 275 CB LEU A 22 -4.879 4.395 11.748 1.00 0.00 C ATOM 276 CG LEU A 22 -5.252 4.235 13.222 1.00 0.00 C ATOM 277 CD1 LEU A 22 -4.103 3.612 13.999 1.00 0.00 C ATOM 278 CD2 LEU A 22 -5.639 5.578 13.824 1.00 0.00 C ATOM 0 H LEU A 22 -6.205 3.199 9.728 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.640 5.585 11.430 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.582 3.420 11.361 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.005 5.043 11.683 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.112 3.569 13.288 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.387 3.506 15.046 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.873 2.631 13.584 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.224 4.252 13.925 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.901 5.444 14.873 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.799 6.268 13.745 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.495 5.985 13.285 1.00 0.00 H new ATOM 290 N LYS A 23 -5.022 7.071 10.102 1.00 0.00 N ATOM 291 CA LYS A 23 -4.411 8.000 9.159 1.00 0.00 C ATOM 292 C LYS A 23 -2.976 7.591 8.844 1.00 0.00 C ATOM 293 O LYS A 23 -2.672 7.163 7.731 1.00 0.00 O ATOM 294 CB LYS A 23 -4.436 9.422 9.723 1.00 0.00 C ATOM 295 CG LYS A 23 -3.842 10.459 8.786 1.00 0.00 C ATOM 296 CD LYS A 23 -3.941 11.859 9.368 1.00 0.00 C ATOM 297 CE LYS A 23 -3.324 12.894 8.441 1.00 0.00 C ATOM 298 NZ LYS A 23 -3.063 14.182 9.141 1.00 0.00 N ATOM 0 H LYS A 23 -5.178 7.457 11.033 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.989 7.973 8.235 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.467 9.696 9.948 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.888 9.440 10.665 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.797 10.218 8.591 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.361 10.425 7.828 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.987 12.107 9.546 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.438 11.889 10.334 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.390 12.506 8.035 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.991 13.068 7.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.642 14.860 8.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.958 14.566 9.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.406 14.021 9.931 1.00 0.00 H new ATOM 312 N SER A 24 -2.097 7.725 9.833 1.00 0.00 N ATOM 313 CA SER A 24 -0.693 7.372 9.661 1.00 0.00 C ATOM 314 C SER A 24 -0.554 6.040 8.929 1.00 0.00 C ATOM 315 O SER A 24 0.335 5.869 8.096 1.00 0.00 O ATOM 316 CB SER A 24 0.006 7.295 11.020 1.00 0.00 C ATOM 317 OG SER A 24 -0.197 6.031 11.627 1.00 0.00 O ATOM 0 H SER A 24 -2.333 8.075 10.761 1.00 0.00 H new ATOM 0 HA SER A 24 -0.219 8.149 9.060 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.074 7.474 10.894 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.374 8.081 11.673 1.00 0.00 H new ATOM 0 HG SER A 24 0.261 6.007 12.493 1.00 0.00 H new ATOM 323 N GLN A 25 -1.439 5.102 9.247 1.00 0.00 N ATOM 324 CA GLN A 25 -1.415 3.785 8.621 1.00 0.00 C ATOM 325 C GLN A 25 -1.350 3.906 7.102 1.00 0.00 C ATOM 326 O GLN A 25 -0.618 3.169 6.440 1.00 0.00 O ATOM 327 CB GLN A 25 -2.651 2.981 9.028 1.00 0.00 C ATOM 328 CG GLN A 25 -2.598 2.467 10.458 1.00 0.00 C ATOM 329 CD GLN A 25 -1.346 1.662 10.743 1.00 0.00 C ATOM 330 OE1 GLN A 25 -1.009 0.735 10.006 1.00 0.00 O ATOM 331 NE2 GLN A 25 -0.649 2.012 11.818 1.00 0.00 N ATOM 0 H GLN A 25 -2.182 5.229 9.934 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.522 3.263 8.964 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.536 3.605 8.908 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.763 2.135 8.350 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.647 3.311 11.146 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.475 1.848 10.650 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.965 2.787 12.401 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.203 1.506 12.061 1.00 0.00 H new ATOM 340 N LEU A 26 -2.121 4.840 6.555 1.00 0.00 N ATOM 341 CA LEU A 26 -2.151 5.058 5.112 1.00 0.00 C ATOM 342 C LEU A 26 -0.909 5.812 4.649 1.00 0.00 C ATOM 343 O LEU A 26 -0.285 5.447 3.652 1.00 0.00 O ATOM 344 CB LEU A 26 -3.409 5.835 4.721 1.00 0.00 C ATOM 345 CG LEU A 26 -3.442 6.385 3.294 1.00 0.00 C ATOM 346 CD1 LEU A 26 -3.771 5.278 2.304 1.00 0.00 C ATOM 347 CD2 LEU A 26 -4.450 7.520 3.183 1.00 0.00 C ATOM 0 H LEU A 26 -2.733 5.458 7.088 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.165 4.084 4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.272 5.183 4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.527 6.669 5.413 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.455 6.779 3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.790 5.687 1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.012 4.498 2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.747 4.855 2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.460 7.899 2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.442 7.152 3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.170 8.323 3.865 1.00 0.00 H new ATOM 359 N ILE A 27 -0.555 6.864 5.379 1.00 0.00 N ATOM 360 CA ILE A 27 0.615 7.667 5.045 1.00 0.00 C ATOM 361 C ILE A 27 1.834 6.786 4.799 1.00 0.00 C ATOM 362 O ILE A 27 2.568 6.981 3.829 1.00 0.00 O ATOM 363 CB ILE A 27 0.942 8.677 6.161 1.00 0.00 C ATOM 364 CG1 ILE A 27 -0.297 9.504 6.510 1.00 0.00 C ATOM 365 CG2 ILE A 27 2.088 9.583 5.735 1.00 0.00 C ATOM 366 CD1 ILE A 27 -0.049 10.539 7.584 1.00 0.00 C ATOM 0 H ILE A 27 -1.062 7.180 6.206 1.00 0.00 H new ATOM 0 HA ILE A 27 0.374 8.212 4.132 1.00 0.00 H new ATOM 0 HB ILE A 27 1.250 8.127 7.050 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.655 10.004 5.610 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.091 8.833 6.839 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.308 10.291 6.534 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.973 8.980 5.532 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.806 10.128 4.834 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.970 11.088 7.780 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.280 10.044 8.498 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.722 11.233 7.249 1.00 0.00 H new ATOM 378 N ILE A 28 2.044 5.815 5.681 1.00 0.00 N ATOM 379 CA ILE A 28 3.173 4.901 5.558 1.00 0.00 C ATOM 380 C ILE A 28 3.039 4.026 4.316 1.00 0.00 C ATOM 381 O ILE A 28 4.034 3.665 3.687 1.00 0.00 O ATOM 382 CB ILE A 28 3.304 3.997 6.798 1.00 0.00 C ATOM 383 CG1 ILE A 28 3.461 4.846 8.061 1.00 0.00 C ATOM 384 CG2 ILE A 28 4.483 3.049 6.640 1.00 0.00 C ATOM 385 CD1 ILE A 28 2.897 4.192 9.303 1.00 0.00 C ATOM 0 H ILE A 28 1.447 5.641 6.489 1.00 0.00 H new ATOM 0 HA ILE A 28 4.069 5.516 5.471 1.00 0.00 H new ATOM 0 HB ILE A 28 2.395 3.402 6.894 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.519 5.055 8.219 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.966 5.805 7.908 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.563 2.417 7.524 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.332 2.424 5.760 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.400 3.626 6.523 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.043 4.850 10.159 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.832 4.007 9.165 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.409 3.246 9.481 1.00 0.00 H new ATOM 397 N HIS A 29 1.801 3.689 3.967 1.00 0.00 N ATOM 398 CA HIS A 29 1.536 2.858 2.798 1.00 0.00 C ATOM 399 C HIS A 29 1.805 3.630 1.510 1.00 0.00 C ATOM 400 O HIS A 29 2.512 3.151 0.625 1.00 0.00 O ATOM 401 CB HIS A 29 0.090 2.361 2.817 1.00 0.00 C ATOM 402 CG HIS A 29 -0.314 1.647 1.564 1.00 0.00 C ATOM 403 ND1 HIS A 29 0.046 0.344 1.292 1.00 0.00 N ATOM 404 CD2 HIS A 29 -1.054 2.060 0.509 1.00 0.00 C ATOM 405 CE1 HIS A 29 -0.453 -0.013 0.121 1.00 0.00 C ATOM 406 NE2 HIS A 29 -1.125 1.011 -0.374 1.00 0.00 N ATOM 0 H HIS A 29 0.966 3.978 4.477 1.00 0.00 H new ATOM 0 HA HIS A 29 2.207 2.000 2.833 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.044 1.691 3.666 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.575 3.210 2.972 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.505 3.034 0.385 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.332 -0.977 -0.350 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -1.617 1.021 -1.267 1.00 0.00 H new ATOM 414 N GLU A 30 1.234 4.827 1.413 1.00 0.00 N ATOM 415 CA GLU A 30 1.411 5.663 0.232 1.00 0.00 C ATOM 416 C GLU A 30 2.890 5.802 -0.119 1.00 0.00 C ATOM 417 O GLU A 30 3.241 6.167 -1.241 1.00 0.00 O ATOM 418 CB GLU A 30 0.798 7.046 0.463 1.00 0.00 C ATOM 419 CG GLU A 30 -0.686 7.007 0.787 1.00 0.00 C ATOM 420 CD GLU A 30 -1.224 8.358 1.217 1.00 0.00 C ATOM 421 OE1 GLU A 30 -0.698 8.922 2.199 1.00 0.00 O ATOM 422 OE2 GLU A 30 -2.172 8.851 0.570 1.00 0.00 O ATOM 0 H GLU A 30 0.646 5.239 2.137 1.00 0.00 H new ATOM 0 HA GLU A 30 0.901 5.182 -0.603 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.327 7.537 1.280 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.951 7.655 -0.428 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.236 6.663 -0.089 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.862 6.281 1.580 1.00 0.00 H new ATOM 429 N ARG A 31 3.752 5.510 0.850 1.00 0.00 N ATOM 430 CA ARG A 31 5.192 5.605 0.645 1.00 0.00 C ATOM 431 C ARG A 31 5.639 4.699 -0.499 1.00 0.00 C ATOM 432 O ARG A 31 6.648 4.961 -1.154 1.00 0.00 O ATOM 433 CB ARG A 31 5.937 5.229 1.927 1.00 0.00 C ATOM 434 CG ARG A 31 5.693 6.193 3.077 1.00 0.00 C ATOM 435 CD ARG A 31 6.400 5.738 4.345 1.00 0.00 C ATOM 436 NE ARG A 31 7.821 6.072 4.329 1.00 0.00 N ATOM 437 CZ ARG A 31 8.751 5.302 3.775 1.00 0.00 C ATOM 438 NH1 ARG A 31 8.411 4.160 3.194 1.00 0.00 N ATOM 439 NH2 ARG A 31 10.024 5.675 3.801 1.00 0.00 N ATOM 0 H ARG A 31 3.478 5.206 1.784 1.00 0.00 H new ATOM 0 HA ARG A 31 5.429 6.636 0.384 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.634 4.228 2.233 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.006 5.189 1.718 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.044 7.187 2.800 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.622 6.273 3.265 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.928 6.204 5.210 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.282 4.660 4.459 1.00 0.00 H new ATOM 0 HE ARG A 31 8.116 6.945 4.767 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.433 3.871 3.172 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.127 3.571 2.769 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.289 6.553 4.247 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.738 5.083 3.375 1.00 0.00 H new ATOM 453 N ILE A 32 4.881 3.632 -0.733 1.00 0.00 N ATOM 454 CA ILE A 32 5.199 2.688 -1.797 1.00 0.00 C ATOM 455 C ILE A 32 5.076 3.344 -3.168 1.00 0.00 C ATOM 456 O ILE A 32 5.803 3.001 -4.100 1.00 0.00 O ATOM 457 CB ILE A 32 4.281 1.453 -1.747 1.00 0.00 C ATOM 458 CG1 ILE A 32 2.866 1.824 -2.195 1.00 0.00 C ATOM 459 CG2 ILE A 32 4.260 0.865 -0.344 1.00 0.00 C ATOM 460 CD1 ILE A 32 1.951 0.630 -2.357 1.00 0.00 C ATOM 0 H ILE A 32 4.043 3.400 -0.200 1.00 0.00 H new ATOM 0 HA ILE A 32 6.230 2.370 -1.640 1.00 0.00 H new ATOM 0 HB ILE A 32 4.673 0.700 -2.430 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.431 2.509 -1.467 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.922 2.360 -3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.607 -0.007 -0.325 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.269 0.569 -0.059 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.889 1.612 0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.965 0.968 -2.676 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.363 -0.045 -3.107 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.864 0.106 -1.405 1.00 0.00 H new ATOM 472 N HIS A 33 4.151 4.292 -3.284 1.00 0.00 N ATOM 473 CA HIS A 33 3.933 4.999 -4.541 1.00 0.00 C ATOM 474 C HIS A 33 4.805 6.248 -4.619 1.00 0.00 C ATOM 475 O HIS A 33 5.371 6.559 -5.668 1.00 0.00 O ATOM 476 CB HIS A 33 2.460 5.381 -4.687 1.00 0.00 C ATOM 477 CG HIS A 33 1.519 4.239 -4.456 1.00 0.00 C ATOM 478 ND1 HIS A 33 1.433 3.152 -5.301 1.00 0.00 N ATOM 479 CD2 HIS A 33 0.622 4.017 -3.467 1.00 0.00 C ATOM 480 CE1 HIS A 33 0.522 2.312 -4.842 1.00 0.00 C ATOM 481 NE2 HIS A 33 0.015 2.814 -3.730 1.00 0.00 N ATOM 0 H HIS A 33 3.540 4.588 -2.523 1.00 0.00 H new ATOM 0 HA HIS A 33 4.210 4.332 -5.358 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.229 6.180 -3.982 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.294 5.781 -5.687 1.00 0.00 H new ATOM 0 HD1 HIS A 33 1.986 3.018 -6.148 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.421 4.666 -2.627 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.240 1.375 -5.298 1.00 0.00 H new ATOM 489 N THR A 34 4.909 6.963 -3.503 1.00 0.00 N ATOM 490 CA THR A 34 5.710 8.180 -3.446 1.00 0.00 C ATOM 491 C THR A 34 7.024 8.008 -4.200 1.00 0.00 C ATOM 492 O THR A 34 7.467 8.912 -4.908 1.00 0.00 O ATOM 493 CB THR A 34 6.015 8.584 -1.992 1.00 0.00 C ATOM 494 OG1 THR A 34 6.814 7.577 -1.360 1.00 0.00 O ATOM 495 CG2 THR A 34 4.728 8.785 -1.205 1.00 0.00 C ATOM 0 H THR A 34 4.448 6.720 -2.626 1.00 0.00 H new ATOM 0 HA THR A 34 5.123 8.968 -3.918 1.00 0.00 H new ATOM 0 HB THR A 34 6.564 9.525 -2.008 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.559 6.695 -1.702 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.969 9.070 -0.181 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.136 9.572 -1.671 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.157 7.857 -1.199 1.00 0.00 H new ATOM 503 N GLY A 35 7.644 6.843 -4.043 1.00 0.00 N ATOM 504 CA GLY A 35 8.901 6.574 -4.716 1.00 0.00 C ATOM 505 C GLY A 35 8.786 6.680 -6.224 1.00 0.00 C ATOM 506 O GLY A 35 7.728 7.026 -6.748 1.00 0.00 O ATOM 0 H GLY A 35 7.298 6.080 -3.461 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.656 7.276 -4.362 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.245 5.574 -4.450 1.00 0.00 H new ATOM 510 N GLU A 36 9.879 6.384 -6.921 1.00 0.00 N ATOM 511 CA GLU A 36 9.895 6.451 -8.378 1.00 0.00 C ATOM 512 C GLU A 36 10.024 5.057 -8.985 1.00 0.00 C ATOM 513 O GLU A 36 11.059 4.403 -8.851 1.00 0.00 O ATOM 514 CB GLU A 36 11.047 7.337 -8.857 1.00 0.00 C ATOM 515 CG GLU A 36 10.832 7.919 -10.244 1.00 0.00 C ATOM 516 CD GLU A 36 11.367 7.022 -11.343 1.00 0.00 C ATOM 517 OE1 GLU A 36 12.559 7.157 -11.689 1.00 0.00 O ATOM 518 OE2 GLU A 36 10.595 6.186 -11.856 1.00 0.00 O ATOM 0 H GLU A 36 10.763 6.096 -6.501 1.00 0.00 H new ATOM 0 HA GLU A 36 8.951 6.886 -8.707 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.186 8.153 -8.148 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.968 6.753 -8.856 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.767 8.086 -10.403 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.319 8.892 -10.305 1.00 0.00 H new ATOM 525 N SER A 37 8.966 4.608 -9.653 1.00 0.00 N ATOM 526 CA SER A 37 8.959 3.291 -10.277 1.00 0.00 C ATOM 527 C SER A 37 8.564 3.388 -11.747 1.00 0.00 C ATOM 528 O SER A 37 8.211 4.460 -12.237 1.00 0.00 O ATOM 529 CB SER A 37 7.995 2.359 -9.539 1.00 0.00 C ATOM 530 OG SER A 37 8.334 2.257 -8.167 1.00 0.00 O ATOM 0 H SER A 37 8.103 5.137 -9.776 1.00 0.00 H new ATOM 0 HA SER A 37 9.968 2.882 -10.216 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.976 2.732 -9.638 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.018 1.370 -9.997 1.00 0.00 H new ATOM 0 HG SER A 37 7.702 1.658 -7.718 1.00 0.00 H new ATOM 536 N GLY A 38 8.627 2.259 -12.447 1.00 0.00 N ATOM 537 CA GLY A 38 8.274 2.238 -13.854 1.00 0.00 C ATOM 538 C GLY A 38 9.370 2.804 -14.735 1.00 0.00 C ATOM 539 O GLY A 38 10.078 3.738 -14.359 1.00 0.00 O ATOM 0 H GLY A 38 8.916 1.359 -12.064 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.062 1.213 -14.157 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.359 2.811 -14.004 1.00 0.00 H new ATOM 543 N PRO A 39 9.522 2.231 -15.939 1.00 0.00 N ATOM 544 CA PRO A 39 10.539 2.668 -16.900 1.00 0.00 C ATOM 545 C PRO A 39 10.232 4.043 -17.485 1.00 0.00 C ATOM 546 O PRO A 39 11.108 4.698 -18.049 1.00 0.00 O ATOM 547 CB PRO A 39 10.478 1.597 -17.992 1.00 0.00 C ATOM 548 CG PRO A 39 9.096 1.047 -17.906 1.00 0.00 C ATOM 549 CD PRO A 39 8.713 1.114 -16.453 1.00 0.00 C ATOM 0 HA PRO A 39 11.520 2.769 -16.437 1.00 0.00 H new ATOM 0 HB2 PRO A 39 10.674 2.023 -18.976 1.00 0.00 H new ATOM 0 HB3 PRO A 39 11.224 0.820 -17.827 1.00 0.00 H new ATOM 0 HG2 PRO A 39 8.406 1.628 -18.519 1.00 0.00 H new ATOM 0 HG3 PRO A 39 9.061 0.021 -18.272 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.646 1.299 -16.327 1.00 0.00 H new ATOM 0 HD3 PRO A 39 8.939 0.182 -15.934 1.00 0.00 H new ATOM 557 N SER A 40 8.982 4.474 -17.346 1.00 0.00 N ATOM 558 CA SER A 40 8.558 5.770 -17.863 1.00 0.00 C ATOM 559 C SER A 40 7.193 6.158 -17.303 1.00 0.00 C ATOM 560 O SER A 40 6.370 5.298 -16.992 1.00 0.00 O ATOM 561 CB SER A 40 8.506 5.739 -19.392 1.00 0.00 C ATOM 562 OG SER A 40 9.777 6.018 -19.952 1.00 0.00 O ATOM 0 H SER A 40 8.245 3.945 -16.880 1.00 0.00 H new ATOM 0 HA SER A 40 9.286 6.517 -17.546 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.165 4.760 -19.727 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.780 6.469 -19.749 1.00 0.00 H new ATOM 0 HG SER A 40 10.466 5.523 -19.462 1.00 0.00 H new ATOM 568 N SER A 41 6.961 7.461 -17.179 1.00 0.00 N ATOM 569 CA SER A 41 5.698 7.966 -16.653 1.00 0.00 C ATOM 570 C SER A 41 4.830 8.529 -17.773 1.00 0.00 C ATOM 571 O SER A 41 3.720 8.055 -18.012 1.00 0.00 O ATOM 572 CB SER A 41 5.955 9.045 -15.599 1.00 0.00 C ATOM 573 OG SER A 41 4.756 9.402 -14.933 1.00 0.00 O ATOM 0 H SER A 41 7.631 8.186 -17.436 1.00 0.00 H new ATOM 0 HA SER A 41 5.167 7.135 -16.189 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.684 8.683 -14.874 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.388 9.926 -16.073 1.00 0.00 H new ATOM 0 HG SER A 41 4.947 10.092 -14.263 1.00 0.00 H new ATOM 579 N GLY A 42 5.345 9.545 -18.459 1.00 0.00 N ATOM 580 CA GLY A 42 4.604 10.158 -19.546 1.00 0.00 C ATOM 581 C GLY A 42 3.520 11.095 -19.054 1.00 0.00 C ATOM 582 O GLY A 42 3.255 11.126 -17.853 1.00 0.00 O ATOM 0 H GLY A 42 6.262 9.954 -18.281 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.293 10.709 -20.186 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.154 9.378 -20.160 1.00 0.00 H new TER 586 GLY A 42 HETATM 587 ZN ZN A 201 -1.692 2.291 -2.235 1.00 0.00 ZN