USER MOD reduce.3.24.130724 H: found=0, std=0, add=326, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 324 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.0724 K(o=-0.072,f=-3.9!) USER MOD Single : A 4 GLN : amide:sc= 0.863 K(o=0.86,f=0) USER MOD Single : A 10 ASN : amide:sc= 0.859 K(o=0.86,f=-4!) USER MOD Single : A 14 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00126) USER MOD Single : A 18 LYS NZ :NH3+ 153:sc= 1.24 (180deg=1.12) USER MOD Single : A 20 HIS : no HD1:sc=-0.000185 X(o=-0.00019,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -145:sc= 1.26 (180deg=-0.0235) USER MOD Single : A 31 HIS : no HD1:sc= -0.256 X(o=-0.26,f=-0.028) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -177:sc= 1.01 (180deg=0.999) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 61:sc= 1.22 USER MOD Single : A 43 TYR OH : rot 173:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 27.033 20.835 36.732 1.00 0.00 N ATOM 2 CA ALA A 1 25.984 19.865 36.368 1.00 0.00 C ATOM 3 C ALA A 1 25.225 19.405 37.612 1.00 0.00 C ATOM 4 O ALA A 1 25.747 18.597 38.387 1.00 0.00 O ATOM 5 CB ALA A 1 26.569 18.666 35.601 1.00 0.00 C ATOM 0 H1 ALA A 1 27.539 21.137 35.875 1.00 0.00 H new ATOM 0 H2 ALA A 1 26.598 21.663 37.187 1.00 0.00 H new ATOM 0 H3 ALA A 1 27.703 20.390 37.391 1.00 0.00 H new ATOM 0 HA ALA A 1 25.280 20.365 35.702 1.00 0.00 H new ATOM 0 HB1 ALA A 1 25.769 17.970 35.348 1.00 0.00 H new ATOM 0 HB2 ALA A 1 27.047 19.017 34.687 1.00 0.00 H new ATOM 0 HB3 ALA A 1 27.306 18.160 36.224 1.00 0.00 H new ATOM 13 N LYS A 2 23.994 19.905 37.805 1.00 0.00 N ATOM 14 CA LYS A 2 23.088 19.538 38.912 1.00 0.00 C ATOM 15 C LYS A 2 21.806 18.877 38.409 1.00 0.00 C ATOM 16 O LYS A 2 21.377 17.870 38.980 1.00 0.00 O ATOM 17 CB LYS A 2 22.789 20.799 39.745 1.00 0.00 C ATOM 18 CG LYS A 2 21.704 20.587 40.816 1.00 0.00 C ATOM 19 CD LYS A 2 21.408 21.843 41.646 1.00 0.00 C ATOM 20 CE LYS A 2 20.990 23.029 40.768 1.00 0.00 C ATOM 21 NZ LYS A 2 20.359 24.092 41.577 1.00 0.00 N1+ ATOM 0 H LYS A 2 23.586 20.598 37.177 1.00 0.00 H new ATOM 0 HA LYS A 2 23.579 18.796 39.542 1.00 0.00 H new ATOM 0 HB2 LYS A 2 23.707 21.130 40.230 1.00 0.00 H new ATOM 0 HB3 LYS A 2 22.476 21.600 39.076 1.00 0.00 H new ATOM 0 HG2 LYS A 2 20.785 20.257 40.331 1.00 0.00 H new ATOM 0 HG3 LYS A 2 22.017 19.785 41.485 1.00 0.00 H new ATOM 0 HD2 LYS A 2 20.615 21.625 42.362 1.00 0.00 H new ATOM 0 HD3 LYS A 2 22.293 22.113 42.222 1.00 0.00 H new ATOM 0 HE2 LYS A 2 21.863 23.430 40.253 1.00 0.00 H new ATOM 0 HE3 LYS A 2 20.294 22.690 40.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 20.086 24.883 40.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 19.513 23.713 42.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 21.033 24.430 42.293 1.00 0.00 H new ATOM 35 N ASN A 3 21.178 19.455 37.385 1.00 0.00 N ATOM 36 CA ASN A 3 19.931 18.964 36.787 1.00 0.00 C ATOM 37 C ASN A 3 19.718 19.414 35.328 1.00 0.00 C ATOM 38 O ASN A 3 19.199 18.651 34.509 1.00 0.00 O ATOM 39 CB ASN A 3 18.737 19.388 37.676 1.00 0.00 C ATOM 40 CG ASN A 3 18.588 20.874 37.985 1.00 0.00 C ATOM 41 OD1 ASN A 3 19.354 21.719 37.556 1.00 0.00 O ATOM 42 ND2 ASN A 3 17.577 21.249 38.732 1.00 0.00 N ATOM 0 H ASN A 3 21.530 20.300 36.935 1.00 0.00 H new ATOM 0 HA ASN A 3 20.003 17.877 36.744 1.00 0.00 H new ATOM 0 HB2 ASN A 3 17.820 19.050 37.193 1.00 0.00 H new ATOM 0 HB3 ASN A 3 18.814 18.853 38.622 1.00 0.00 H new ATOM 0 HD21 ASN A 3 17.440 22.237 38.947 1.00 0.00 H new ATOM 0 HD22 ASN A 3 16.928 20.553 39.098 1.00 0.00 H new ATOM 49 N GLN A 4 20.109 20.647 35.006 1.00 0.00 N ATOM 50 CA GLN A 4 19.827 21.307 33.723 1.00 0.00 C ATOM 51 C GLN A 4 21.081 21.750 32.947 1.00 0.00 C ATOM 52 O GLN A 4 20.965 22.389 31.905 1.00 0.00 O ATOM 53 CB GLN A 4 18.841 22.466 33.964 1.00 0.00 C ATOM 54 CG GLN A 4 19.491 23.669 34.669 1.00 0.00 C ATOM 55 CD GLN A 4 18.487 24.750 35.034 1.00 0.00 C ATOM 56 OE1 GLN A 4 18.177 24.980 36.197 1.00 0.00 O ATOM 57 NE2 GLN A 4 17.969 25.471 34.067 1.00 0.00 N ATOM 0 H GLN A 4 20.645 21.234 35.645 1.00 0.00 H new ATOM 0 HA GLN A 4 19.369 20.568 33.066 1.00 0.00 H new ATOM 0 HB2 GLN A 4 18.429 22.790 33.008 1.00 0.00 H new ATOM 0 HB3 GLN A 4 18.006 22.107 34.565 1.00 0.00 H new ATOM 0 HG2 GLN A 4 19.994 23.326 35.573 1.00 0.00 H new ATOM 0 HG3 GLN A 4 20.257 24.095 34.020 1.00 0.00 H new ATOM 0 HE21 GLN A 4 18.224 25.283 33.098 1.00 0.00 H new ATOM 0 HE22 GLN A 4 17.311 26.219 34.285 1.00 0.00 H new ATOM 66 N PHE A 5 22.289 21.458 33.444 1.00 0.00 N ATOM 67 CA PHE A 5 23.575 21.903 32.875 1.00 0.00 C ATOM 68 C PHE A 5 23.699 23.430 32.716 1.00 0.00 C ATOM 69 O PHE A 5 24.510 23.911 31.924 1.00 0.00 O ATOM 70 CB PHE A 5 23.888 21.133 31.580 1.00 0.00 C ATOM 71 CG PHE A 5 23.945 19.634 31.774 1.00 0.00 C ATOM 72 CD1 PHE A 5 25.176 19.010 32.042 1.00 0.00 C ATOM 73 CD2 PHE A 5 22.763 18.872 31.750 1.00 0.00 C ATOM 74 CE1 PHE A 5 25.223 17.625 32.272 1.00 0.00 C ATOM 75 CE2 PHE A 5 22.810 17.495 32.018 1.00 0.00 C ATOM 76 CZ PHE A 5 24.042 16.866 32.261 1.00 0.00 C ATOM 0 H PHE A 5 22.406 20.887 34.281 1.00 0.00 H new ATOM 0 HA PHE A 5 24.344 21.655 33.606 1.00 0.00 H new ATOM 0 HB2 PHE A 5 23.129 21.367 30.834 1.00 0.00 H new ATOM 0 HB3 PHE A 5 24.843 21.477 31.182 1.00 0.00 H new ATOM 0 HD1 PHE A 5 26.084 19.594 32.071 1.00 0.00 H new ATOM 0 HD2 PHE A 5 21.819 19.346 31.525 1.00 0.00 H new ATOM 0 HE1 PHE A 5 26.171 17.142 32.458 1.00 0.00 H new ATOM 0 HE2 PHE A 5 21.897 16.918 32.037 1.00 0.00 H new ATOM 0 HZ PHE A 5 24.081 15.801 32.439 1.00 0.00 H new ATOM 86 N GLY A 6 22.898 24.204 33.457 1.00 0.00 N ATOM 87 CA GLY A 6 22.779 25.656 33.293 1.00 0.00 C ATOM 88 C GLY A 6 21.915 26.108 32.098 1.00 0.00 C ATOM 89 O GLY A 6 21.641 27.303 31.952 1.00 0.00 O ATOM 0 H GLY A 6 22.305 23.832 34.199 1.00 0.00 H new ATOM 0 HA2 GLY A 6 22.358 26.076 34.206 1.00 0.00 H new ATOM 0 HA3 GLY A 6 23.778 26.077 33.180 1.00 0.00 H new ATOM 93 N CYS A 7 21.442 25.165 31.279 1.00 0.00 N ATOM 94 CA CYS A 7 20.605 25.411 30.111 1.00 0.00 C ATOM 95 C CYS A 7 19.134 25.621 30.471 1.00 0.00 C ATOM 96 O CYS A 7 18.562 24.891 31.285 1.00 0.00 O ATOM 97 CB CYS A 7 20.677 24.211 29.156 1.00 0.00 C ATOM 98 SG CYS A 7 22.272 23.902 28.374 1.00 0.00 S ATOM 0 H CYS A 7 21.641 24.175 31.420 1.00 0.00 H new ATOM 0 HA CYS A 7 20.987 26.321 29.647 1.00 0.00 H new ATOM 0 HB2 CYS A 7 20.389 23.317 29.709 1.00 0.00 H new ATOM 0 HB3 CYS A 7 19.934 24.354 28.371 1.00 0.00 H new ATOM 103 N PHE A 8 18.494 26.569 29.795 1.00 0.00 N ATOM 104 CA PHE A 8 17.039 26.721 29.793 1.00 0.00 C ATOM 105 C PHE A 8 16.559 27.354 28.479 1.00 0.00 C ATOM 106 O PHE A 8 17.154 28.326 28.016 1.00 0.00 O ATOM 107 CB PHE A 8 16.596 27.515 31.026 1.00 0.00 C ATOM 108 CG PHE A 8 15.096 27.646 31.135 1.00 0.00 C ATOM 109 CD1 PHE A 8 14.451 28.807 30.664 1.00 0.00 C ATOM 110 CD2 PHE A 8 14.342 26.575 31.648 1.00 0.00 C ATOM 111 CE1 PHE A 8 13.045 28.873 30.670 1.00 0.00 C ATOM 112 CE2 PHE A 8 12.941 26.641 31.648 1.00 0.00 C ATOM 113 CZ PHE A 8 12.294 27.782 31.147 1.00 0.00 C ATOM 0 H PHE A 8 18.976 27.264 29.225 1.00 0.00 H new ATOM 0 HA PHE A 8 16.572 25.738 29.852 1.00 0.00 H new ATOM 0 HB2 PHE A 8 16.979 27.027 31.922 1.00 0.00 H new ATOM 0 HB3 PHE A 8 17.040 28.510 30.990 1.00 0.00 H new ATOM 0 HD1 PHE A 8 15.032 29.642 30.300 1.00 0.00 H new ATOM 0 HD2 PHE A 8 14.842 25.702 32.042 1.00 0.00 H new ATOM 0 HE1 PHE A 8 12.543 29.759 30.309 1.00 0.00 H new ATOM 0 HE2 PHE A 8 12.361 25.815 32.033 1.00 0.00 H new ATOM 0 HZ PHE A 8 11.215 27.823 31.127 1.00 0.00 H new ATOM 123 N ALA A 9 15.504 26.802 27.866 1.00 0.00 N ATOM 124 CA ALA A 9 14.934 27.267 26.596 1.00 0.00 C ATOM 125 C ALA A 9 16.004 27.521 25.509 1.00 0.00 C ATOM 126 O ALA A 9 16.072 28.603 24.927 1.00 0.00 O ATOM 127 CB ALA A 9 14.001 28.457 26.867 1.00 0.00 C ATOM 0 H ALA A 9 15.010 25.997 28.251 1.00 0.00 H new ATOM 0 HA ALA A 9 14.329 26.471 26.162 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.575 28.807 25.927 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.199 28.145 27.536 1.00 0.00 H new ATOM 0 HB3 ALA A 9 14.567 29.265 27.331 1.00 0.00 H new ATOM 133 N ASN A 10 16.873 26.528 25.280 1.00 0.00 N ATOM 134 CA ASN A 10 18.038 26.569 24.372 1.00 0.00 C ATOM 135 C ASN A 10 19.140 27.615 24.680 1.00 0.00 C ATOM 136 O ASN A 10 20.091 27.745 23.900 1.00 0.00 O ATOM 137 CB ASN A 10 17.566 26.658 22.909 1.00 0.00 C ATOM 138 CG ASN A 10 16.675 25.561 22.443 1.00 0.00 C ATOM 139 OD1 ASN A 10 16.357 24.589 23.114 1.00 0.00 O ATOM 140 ND2 ASN A 10 16.222 25.723 21.243 1.00 0.00 N ATOM 0 H ASN A 10 16.782 25.625 25.745 1.00 0.00 H new ATOM 0 HA ASN A 10 18.552 25.626 24.555 1.00 0.00 H new ATOM 0 HB2 ASN A 10 17.044 27.605 22.773 1.00 0.00 H new ATOM 0 HB3 ASN A 10 18.445 26.683 22.265 1.00 0.00 H new ATOM 0 HD21 ASN A 10 15.588 25.033 20.840 1.00 0.00 H new ATOM 0 HD22 ASN A 10 16.499 26.540 20.699 1.00 0.00 H new ATOM 147 N VAL A 11 19.083 28.328 25.811 1.00 0.00 N ATOM 148 CA VAL A 11 20.068 29.353 26.199 1.00 0.00 C ATOM 149 C VAL A 11 20.806 28.959 27.478 1.00 0.00 C ATOM 150 O VAL A 11 20.220 28.467 28.441 1.00 0.00 O ATOM 151 CB VAL A 11 19.412 30.746 26.345 1.00 0.00 C ATOM 152 CG1 VAL A 11 20.454 31.847 26.598 1.00 0.00 C ATOM 153 CG2 VAL A 11 18.656 31.157 25.075 1.00 0.00 C ATOM 0 H VAL A 11 18.338 28.209 26.497 1.00 0.00 H new ATOM 0 HA VAL A 11 20.802 29.416 25.395 1.00 0.00 H new ATOM 0 HB VAL A 11 18.731 30.653 27.191 1.00 0.00 H new ATOM 0 HG11 VAL A 11 19.951 32.809 26.694 1.00 0.00 H new ATOM 0 HG12 VAL A 11 20.998 31.629 27.517 1.00 0.00 H new ATOM 0 HG13 VAL A 11 21.153 31.885 25.763 1.00 0.00 H new ATOM 0 HG21 VAL A 11 18.210 32.141 25.219 1.00 0.00 H new ATOM 0 HG22 VAL A 11 19.349 31.192 24.234 1.00 0.00 H new ATOM 0 HG23 VAL A 11 17.871 30.430 24.868 1.00 0.00 H new ATOM 163 N ASP A 12 22.108 29.226 27.517 1.00 0.00 N ATOM 164 CA ASP A 12 22.945 29.141 28.716 1.00 0.00 C ATOM 165 C ASP A 12 22.732 30.371 29.628 1.00 0.00 C ATOM 166 O ASP A 12 23.606 31.229 29.778 1.00 0.00 O ATOM 167 CB ASP A 12 24.404 28.885 28.303 1.00 0.00 C ATOM 168 CG ASP A 12 24.960 29.847 27.253 1.00 0.00 C ATOM 169 OD1 ASP A 12 25.835 30.676 27.599 1.00 0.00 O ATOM 170 OD2 ASP A 12 24.590 29.741 26.056 1.00 0.00 O1- ATOM 0 H ASP A 12 22.629 29.517 26.690 1.00 0.00 H new ATOM 0 HA ASP A 12 22.649 28.291 29.331 1.00 0.00 H new ATOM 0 HB2 ASP A 12 25.032 28.940 29.192 1.00 0.00 H new ATOM 0 HB3 ASP A 12 24.483 27.868 27.919 1.00 0.00 H new ATOM 175 N VAL A 13 21.525 30.488 30.199 1.00 0.00 N ATOM 176 CA VAL A 13 21.119 31.571 31.125 1.00 0.00 C ATOM 177 C VAL A 13 21.566 31.322 32.567 1.00 0.00 C ATOM 178 O VAL A 13 22.052 32.239 33.228 1.00 0.00 O ATOM 179 CB VAL A 13 19.591 31.830 31.111 1.00 0.00 C ATOM 180 CG1 VAL A 13 19.221 32.855 30.042 1.00 0.00 C ATOM 181 CG2 VAL A 13 18.742 30.577 30.885 1.00 0.00 C ATOM 0 H VAL A 13 20.778 29.815 30.029 1.00 0.00 H new ATOM 0 HA VAL A 13 21.631 32.457 30.749 1.00 0.00 H new ATOM 0 HB VAL A 13 19.366 32.204 32.110 1.00 0.00 H new ATOM 0 HG11 VAL A 13 18.143 33.019 30.053 1.00 0.00 H new ATOM 0 HG12 VAL A 13 19.733 33.795 30.247 1.00 0.00 H new ATOM 0 HG13 VAL A 13 19.522 32.484 29.062 1.00 0.00 H new ATOM 0 HG21 VAL A 13 17.686 30.847 30.890 1.00 0.00 H new ATOM 0 HG22 VAL A 13 18.999 30.132 29.924 1.00 0.00 H new ATOM 0 HG23 VAL A 13 18.936 29.858 31.681 1.00 0.00 H new ATOM 191 N LYS A 14 21.442 30.083 33.059 1.00 0.00 N ATOM 192 CA LYS A 14 21.861 29.687 34.421 1.00 0.00 C ATOM 193 C LYS A 14 23.324 29.204 34.472 1.00 0.00 C ATOM 194 O LYS A 14 23.922 29.138 35.548 1.00 0.00 O ATOM 195 CB LYS A 14 20.891 28.638 35.004 1.00 0.00 C ATOM 196 CG LYS A 14 19.385 28.947 34.911 1.00 0.00 C ATOM 197 CD LYS A 14 18.933 30.239 35.608 1.00 0.00 C ATOM 198 CE LYS A 14 19.289 30.318 37.099 1.00 0.00 C ATOM 199 NZ LYS A 14 18.780 29.171 37.886 1.00 0.00 N1+ ATOM 0 H LYS A 14 21.044 29.314 32.521 1.00 0.00 H new ATOM 0 HA LYS A 14 21.815 30.578 35.047 1.00 0.00 H new ATOM 0 HB2 LYS A 14 21.074 27.690 34.498 1.00 0.00 H new ATOM 0 HB3 LYS A 14 21.142 28.492 36.055 1.00 0.00 H new ATOM 0 HG2 LYS A 14 19.108 29.006 33.858 1.00 0.00 H new ATOM 0 HG3 LYS A 14 18.833 28.111 35.340 1.00 0.00 H new ATOM 0 HD2 LYS A 14 19.382 31.089 35.095 1.00 0.00 H new ATOM 0 HD3 LYS A 14 17.853 30.336 35.500 1.00 0.00 H new ATOM 0 HE2 LYS A 14 20.373 30.369 37.204 1.00 0.00 H new ATOM 0 HE3 LYS A 14 18.885 31.242 37.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 19.039 29.294 38.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.745 29.123 37.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 19.198 28.290 37.525 1.00 0.00 H new ATOM 213 N GLY A 15 23.910 28.869 33.323 1.00 0.00 N ATOM 214 CA GLY A 15 25.332 28.537 33.162 1.00 0.00 C ATOM 215 C GLY A 15 25.615 27.850 31.826 1.00 0.00 C ATOM 216 O GLY A 15 24.687 27.393 31.162 1.00 0.00 O ATOM 0 H GLY A 15 23.392 28.818 32.446 1.00 0.00 H new ATOM 0 HA2 GLY A 15 25.927 29.448 33.234 1.00 0.00 H new ATOM 0 HA3 GLY A 15 25.646 27.886 33.978 1.00 0.00 H new ATOM 220 N ASP A 16 26.884 27.765 31.423 1.00 0.00 N ATOM 221 CA ASP A 16 27.271 27.074 30.187 1.00 0.00 C ATOM 222 C ASP A 16 27.293 25.547 30.334 1.00 0.00 C ATOM 223 O ASP A 16 27.771 25.004 31.333 1.00 0.00 O ATOM 224 CB ASP A 16 28.587 27.613 29.611 1.00 0.00 C ATOM 225 CG ASP A 16 29.836 27.133 30.351 1.00 0.00 C ATOM 226 OD1 ASP A 16 30.597 26.311 29.795 1.00 0.00 O ATOM 227 OD2 ASP A 16 30.115 27.624 31.473 1.00 0.00 O1- ATOM 0 H ASP A 16 27.667 28.168 31.937 1.00 0.00 H new ATOM 0 HA ASP A 16 26.488 27.297 29.463 1.00 0.00 H new ATOM 0 HB2 ASP A 16 28.661 27.317 28.565 1.00 0.00 H new ATOM 0 HB3 ASP A 16 28.561 28.702 29.633 1.00 0.00 H new ATOM 232 N CYS A 17 26.823 24.865 29.295 1.00 0.00 N ATOM 233 CA CYS A 17 26.824 23.411 29.146 1.00 0.00 C ATOM 234 C CYS A 17 28.121 22.922 28.484 1.00 0.00 C ATOM 235 O CYS A 17 28.563 21.796 28.726 1.00 0.00 O ATOM 236 CB CYS A 17 25.540 23.049 28.378 1.00 0.00 C ATOM 237 SG CYS A 17 25.662 22.140 26.817 1.00 0.00 S ATOM 0 H CYS A 17 26.409 25.335 28.490 1.00 0.00 H new ATOM 0 HA CYS A 17 26.813 22.898 30.108 1.00 0.00 H new ATOM 0 HB2 CYS A 17 24.912 22.463 29.049 1.00 0.00 H new ATOM 0 HB3 CYS A 17 25.008 23.978 28.174 1.00 0.00 H new ATOM 242 N LYS A 18 28.803 23.790 27.720 1.00 0.00 N ATOM 243 CA LYS A 18 30.089 23.474 27.083 1.00 0.00 C ATOM 244 C LYS A 18 31.151 22.989 28.075 1.00 0.00 C ATOM 245 O LYS A 18 31.892 22.077 27.719 1.00 0.00 O ATOM 246 CB LYS A 18 30.537 24.652 26.203 1.00 0.00 C ATOM 247 CG LYS A 18 31.724 24.274 25.298 1.00 0.00 C ATOM 248 CD LYS A 18 33.087 24.713 25.852 1.00 0.00 C ATOM 249 CE LYS A 18 33.409 26.155 25.445 1.00 0.00 C ATOM 250 NZ LYS A 18 33.995 26.219 24.089 1.00 0.00 N1+ ATOM 0 H LYS A 18 28.475 24.736 27.526 1.00 0.00 H new ATOM 0 HA LYS A 18 29.948 22.616 26.426 1.00 0.00 H new ATOM 0 HB2 LYS A 18 29.701 24.983 25.586 1.00 0.00 H new ATOM 0 HB3 LYS A 18 30.818 25.493 26.837 1.00 0.00 H new ATOM 0 HG2 LYS A 18 31.731 23.193 25.155 1.00 0.00 H new ATOM 0 HG3 LYS A 18 31.579 24.724 24.316 1.00 0.00 H new ATOM 0 HD2 LYS A 18 33.085 24.630 26.939 1.00 0.00 H new ATOM 0 HD3 LYS A 18 33.865 24.045 25.483 1.00 0.00 H new ATOM 0 HE2 LYS A 18 32.499 26.755 25.478 1.00 0.00 H new ATOM 0 HE3 LYS A 18 34.104 26.590 26.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 33.786 27.145 23.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 35.025 26.091 24.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 33.587 25.466 23.499 1.00 0.00 H new ATOM 264 N ARG A 19 31.176 23.456 29.329 1.00 0.00 N ATOM 265 CA ARG A 19 32.046 22.903 30.394 1.00 0.00 C ATOM 266 C ARG A 19 31.875 21.396 30.637 1.00 0.00 C ATOM 267 O ARG A 19 32.869 20.714 30.878 1.00 0.00 O ATOM 268 CB ARG A 19 31.824 23.694 31.703 1.00 0.00 C ATOM 269 CG ARG A 19 33.129 24.181 32.352 1.00 0.00 C ATOM 270 CD ARG A 19 33.875 25.252 31.538 1.00 0.00 C ATOM 271 NE ARG A 19 33.093 26.496 31.387 1.00 0.00 N ATOM 272 CZ ARG A 19 33.475 27.725 31.686 1.00 0.00 C ATOM 273 NH1 ARG A 19 34.652 28.023 32.152 1.00 0.00 N1+ ATOM 274 NH2 ARG A 19 32.655 28.718 31.547 1.00 0.00 N ATOM 0 H ARG A 19 30.593 24.232 29.643 1.00 0.00 H new ATOM 0 HA ARG A 19 33.072 23.020 30.045 1.00 0.00 H new ATOM 0 HB2 ARG A 19 31.187 24.554 31.495 1.00 0.00 H new ATOM 0 HB3 ARG A 19 31.287 23.064 32.413 1.00 0.00 H new ATOM 0 HG2 ARG A 19 32.903 24.583 33.340 1.00 0.00 H new ATOM 0 HG3 ARG A 19 33.790 23.327 32.499 1.00 0.00 H new ATOM 0 HD2 ARG A 19 34.823 25.480 32.026 1.00 0.00 H new ATOM 0 HD3 ARG A 19 34.112 24.854 30.551 1.00 0.00 H new ATOM 0 HE ARG A 19 32.151 26.395 31.009 1.00 0.00 H new ATOM 0 HH11 ARG A 19 35.341 27.287 32.306 1.00 0.00 H new ATOM 0 HH12 ARG A 19 34.886 28.993 32.364 1.00 0.00 H new ATOM 0 HH21 ARG A 19 31.708 28.554 31.205 1.00 0.00 H new ATOM 0 HH22 ARG A 19 32.956 29.664 31.780 1.00 0.00 H new ATOM 288 N HIS A 20 30.666 20.840 30.518 1.00 0.00 N ATOM 289 CA HIS A 20 30.426 19.391 30.667 1.00 0.00 C ATOM 290 C HIS A 20 30.900 18.579 29.443 1.00 0.00 C ATOM 291 O HIS A 20 31.334 17.432 29.577 1.00 0.00 O ATOM 292 CB HIS A 20 28.940 19.166 31.012 1.00 0.00 C ATOM 293 CG HIS A 20 28.443 17.768 30.749 1.00 0.00 C ATOM 294 ND1 HIS A 20 28.674 16.637 31.543 1.00 0.00 N ATOM 295 CD2 HIS A 20 27.763 17.399 29.627 1.00 0.00 C ATOM 296 CE1 HIS A 20 28.135 15.608 30.859 1.00 0.00 C ATOM 297 NE2 HIS A 20 27.584 16.037 29.709 1.00 0.00 N ATOM 0 H HIS A 20 29.822 21.377 30.316 1.00 0.00 H new ATOM 0 HA HIS A 20 31.032 19.011 31.489 1.00 0.00 H new ATOM 0 HB2 HIS A 20 28.785 19.401 32.065 1.00 0.00 H new ATOM 0 HB3 HIS A 20 28.336 19.867 30.436 1.00 0.00 H new ATOM 0 HD2 HIS A 20 27.430 18.048 28.830 1.00 0.00 H new ATOM 0 HE1 HIS A 20 28.144 14.580 31.189 1.00 0.00 H new ATOM 0 HE2 HIS A 20 27.114 15.453 29.017 1.00 0.00 H new ATOM 305 N CYS A 21 30.898 19.195 28.260 1.00 0.00 N ATOM 306 CA CYS A 21 31.443 18.632 27.020 1.00 0.00 C ATOM 307 C CYS A 21 32.983 18.754 26.936 1.00 0.00 C ATOM 308 O CYS A 21 33.663 17.809 26.531 1.00 0.00 O ATOM 309 CB CYS A 21 30.678 19.314 25.869 1.00 0.00 C ATOM 310 SG CYS A 21 28.939 18.805 25.716 1.00 0.00 S ATOM 0 H CYS A 21 30.506 20.128 28.133 1.00 0.00 H new ATOM 0 HA CYS A 21 31.291 17.554 26.967 1.00 0.00 H new ATOM 0 HB2 CYS A 21 30.716 20.394 26.013 1.00 0.00 H new ATOM 0 HB3 CYS A 21 31.190 19.099 24.931 1.00 0.00 H new ATOM 315 N LYS A 22 33.570 19.852 27.428 1.00 0.00 N ATOM 316 CA LYS A 22 35.012 20.148 27.410 1.00 0.00 C ATOM 317 C LYS A 22 35.850 19.099 28.140 1.00 0.00 C ATOM 318 O LYS A 22 36.960 18.791 27.708 1.00 0.00 O ATOM 319 CB LYS A 22 35.183 21.537 28.043 1.00 0.00 C ATOM 320 CG LYS A 22 36.569 22.142 27.822 1.00 0.00 C ATOM 321 CD LYS A 22 36.615 23.556 28.415 1.00 0.00 C ATOM 322 CE LYS A 22 37.804 24.297 27.810 1.00 0.00 C ATOM 323 NZ LYS A 22 37.807 25.732 28.178 1.00 0.00 N1+ ATOM 0 H LYS A 22 33.029 20.595 27.871 1.00 0.00 H new ATOM 0 HA LYS A 22 35.376 20.129 26.383 1.00 0.00 H new ATOM 0 HB2 LYS A 22 34.432 22.210 27.631 1.00 0.00 H new ATOM 0 HB3 LYS A 22 34.993 21.465 29.114 1.00 0.00 H new ATOM 0 HG2 LYS A 22 37.329 21.516 28.290 1.00 0.00 H new ATOM 0 HG3 LYS A 22 36.796 22.176 26.756 1.00 0.00 H new ATOM 0 HD2 LYS A 22 35.688 24.087 28.199 1.00 0.00 H new ATOM 0 HD3 LYS A 22 36.710 23.509 29.500 1.00 0.00 H new ATOM 0 HE2 LYS A 22 38.731 23.834 28.148 1.00 0.00 H new ATOM 0 HE3 LYS A 22 37.777 24.201 26.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 38.630 26.199 27.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 36.935 26.181 27.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 37.858 25.825 29.213 1.00 0.00 H new ATOM 337 N ALA A 23 35.287 18.494 29.184 1.00 0.00 N ATOM 338 CA ALA A 23 35.905 17.410 29.949 1.00 0.00 C ATOM 339 C ALA A 23 36.062 16.086 29.162 1.00 0.00 C ATOM 340 O ALA A 23 36.829 15.209 29.577 1.00 0.00 O ATOM 341 CB ALA A 23 35.052 17.222 31.205 1.00 0.00 C ATOM 0 H ALA A 23 34.363 18.750 29.532 1.00 0.00 H new ATOM 0 HA ALA A 23 36.930 17.687 30.194 1.00 0.00 H new ATOM 0 HB1 ALA A 23 35.472 16.421 31.813 1.00 0.00 H new ATOM 0 HB2 ALA A 23 35.043 18.148 31.780 1.00 0.00 H new ATOM 0 HB3 ALA A 23 34.033 16.963 30.917 1.00 0.00 H new ATOM 347 N GLU A 24 35.378 15.942 28.020 1.00 0.00 N ATOM 348 CA GLU A 24 35.477 14.799 27.088 1.00 0.00 C ATOM 349 C GLU A 24 35.991 15.216 25.689 1.00 0.00 C ATOM 350 O GLU A 24 35.807 14.483 24.712 1.00 0.00 O ATOM 351 CB GLU A 24 34.138 14.036 27.021 1.00 0.00 C ATOM 352 CG GLU A 24 33.705 13.487 28.389 1.00 0.00 C ATOM 353 CD GLU A 24 32.550 12.484 28.262 1.00 0.00 C ATOM 354 OE1 GLU A 24 31.408 12.830 28.652 1.00 0.00 O ATOM 355 OE2 GLU A 24 32.757 11.349 27.764 1.00 0.00 O1- ATOM 0 H GLU A 24 34.711 16.645 27.702 1.00 0.00 H new ATOM 0 HA GLU A 24 36.229 14.116 27.483 1.00 0.00 H new ATOM 0 HB2 GLU A 24 33.364 14.701 26.638 1.00 0.00 H new ATOM 0 HB3 GLU A 24 34.228 13.211 26.314 1.00 0.00 H new ATOM 0 HG2 GLU A 24 34.554 13.004 28.872 1.00 0.00 H new ATOM 0 HG3 GLU A 24 33.400 14.313 29.032 1.00 0.00 H new ATOM 362 N ASP A 25 36.642 16.386 25.587 1.00 0.00 N ATOM 363 CA ASP A 25 37.113 16.994 24.329 1.00 0.00 C ATOM 364 C ASP A 25 35.954 17.171 23.333 1.00 0.00 C ATOM 365 O ASP A 25 35.898 16.526 22.286 1.00 0.00 O ATOM 366 CB ASP A 25 38.353 16.245 23.790 1.00 0.00 C ATOM 367 CG ASP A 25 38.825 16.671 22.390 1.00 0.00 C ATOM 368 OD1 ASP A 25 38.961 17.889 22.118 1.00 0.00 O ATOM 369 OD2 ASP A 25 39.118 15.755 21.582 1.00 0.00 O1- ATOM 0 H ASP A 25 36.863 16.955 26.404 1.00 0.00 H new ATOM 0 HA ASP A 25 37.464 18.009 24.515 1.00 0.00 H new ATOM 0 HB2 ASP A 25 39.175 16.388 24.491 1.00 0.00 H new ATOM 0 HB3 ASP A 25 38.132 15.178 23.771 1.00 0.00 H new ATOM 374 N LYS A 26 34.981 18.009 23.716 1.00 0.00 N ATOM 375 CA LYS A 26 33.781 18.363 22.944 1.00 0.00 C ATOM 376 C LYS A 26 33.310 19.794 23.204 1.00 0.00 C ATOM 377 O LYS A 26 33.406 20.297 24.322 1.00 0.00 O ATOM 378 CB LYS A 26 32.602 17.445 23.332 1.00 0.00 C ATOM 379 CG LYS A 26 32.793 15.943 23.152 1.00 0.00 C ATOM 380 CD LYS A 26 32.845 15.574 21.670 1.00 0.00 C ATOM 381 CE LYS A 26 33.365 14.144 21.479 1.00 0.00 C ATOM 382 NZ LYS A 26 34.755 13.995 21.979 1.00 0.00 N1+ ATOM 0 H LYS A 26 35.011 18.483 24.619 1.00 0.00 H new ATOM 0 HA LYS A 26 34.064 18.252 21.897 1.00 0.00 H new ATOM 0 HB2 LYS A 26 32.361 17.631 24.379 1.00 0.00 H new ATOM 0 HB3 LYS A 26 31.734 17.747 22.746 1.00 0.00 H new ATOM 0 HG2 LYS A 26 33.714 15.628 23.642 1.00 0.00 H new ATOM 0 HG3 LYS A 26 31.976 15.408 23.636 1.00 0.00 H new ATOM 0 HD2 LYS A 26 31.850 15.665 21.234 1.00 0.00 H new ATOM 0 HD3 LYS A 26 33.491 16.274 21.140 1.00 0.00 H new ATOM 0 HE2 LYS A 26 32.713 13.446 22.004 1.00 0.00 H new ATOM 0 HE3 LYS A 26 33.328 13.881 20.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 35.272 13.326 21.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 35.232 14.919 21.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 34.736 13.635 22.955 1.00 0.00 H new ATOM 396 N GLU A 27 32.758 20.429 22.180 1.00 0.00 N ATOM 397 CA GLU A 27 31.953 21.638 22.309 1.00 0.00 C ATOM 398 C GLU A 27 30.583 21.197 22.855 1.00 0.00 C ATOM 399 O GLU A 27 30.194 20.041 22.703 1.00 0.00 O ATOM 400 CB GLU A 27 31.825 22.342 20.948 1.00 0.00 C ATOM 401 CG GLU A 27 33.127 23.017 20.481 1.00 0.00 C ATOM 402 CD GLU A 27 33.506 24.309 21.225 1.00 0.00 C ATOM 403 OE1 GLU A 27 32.736 24.802 22.085 1.00 0.00 O ATOM 404 OE2 GLU A 27 34.588 24.879 20.939 1.00 0.00 O1- ATOM 0 H GLU A 27 32.859 20.112 21.216 1.00 0.00 H new ATOM 0 HA GLU A 27 32.414 22.357 22.986 1.00 0.00 H new ATOM 0 HB2 GLU A 27 31.514 21.614 20.199 1.00 0.00 H new ATOM 0 HB3 GLU A 27 31.037 23.093 21.009 1.00 0.00 H new ATOM 0 HG2 GLU A 27 33.944 22.304 20.588 1.00 0.00 H new ATOM 0 HG3 GLU A 27 33.038 23.243 19.418 1.00 0.00 H new ATOM 411 N GLY A 28 29.843 22.088 23.503 1.00 0.00 N ATOM 412 CA GLY A 28 28.501 21.817 24.047 1.00 0.00 C ATOM 413 C GLY A 28 27.490 22.915 23.730 1.00 0.00 C ATOM 414 O GLY A 28 27.874 24.075 23.575 1.00 0.00 O ATOM 0 H GLY A 28 30.158 23.043 23.673 1.00 0.00 H new ATOM 0 HA2 GLY A 28 28.138 20.871 23.646 1.00 0.00 H new ATOM 0 HA3 GLY A 28 28.572 21.698 25.128 1.00 0.00 H new ATOM 418 N ILE A 29 26.208 22.559 23.613 1.00 0.00 N ATOM 419 CA ILE A 29 25.122 23.447 23.179 1.00 0.00 C ATOM 420 C ILE A 29 23.797 23.014 23.824 1.00 0.00 C ATOM 421 O ILE A 29 23.554 21.821 24.020 1.00 0.00 O ATOM 422 CB ILE A 29 25.099 23.496 21.629 1.00 0.00 C ATOM 423 CG1 ILE A 29 24.150 24.566 21.059 1.00 0.00 C ATOM 424 CG2 ILE A 29 24.908 22.135 20.938 1.00 0.00 C ATOM 425 CD1 ILE A 29 22.712 24.120 20.766 1.00 0.00 C ATOM 0 H ILE A 29 25.885 21.615 23.824 1.00 0.00 H new ATOM 0 HA ILE A 29 25.287 24.470 23.519 1.00 0.00 H new ATOM 0 HB ILE A 29 26.113 23.805 21.377 1.00 0.00 H new ATOM 0 HG12 ILE A 29 24.112 25.398 21.762 1.00 0.00 H new ATOM 0 HG13 ILE A 29 24.583 24.949 20.135 1.00 0.00 H new ATOM 0 HG21 ILE A 29 24.906 22.273 19.857 1.00 0.00 H new ATOM 0 HG22 ILE A 29 25.724 21.468 21.217 1.00 0.00 H new ATOM 0 HG23 ILE A 29 23.959 21.698 21.250 1.00 0.00 H new ATOM 0 HD11 ILE A 29 22.144 24.961 20.369 1.00 0.00 H new ATOM 0 HD12 ILE A 29 22.724 23.313 20.034 1.00 0.00 H new ATOM 0 HD13 ILE A 29 22.245 23.769 21.686 1.00 0.00 H new ATOM 437 N CYS A 30 22.938 23.967 24.198 1.00 0.00 N ATOM 438 CA CYS A 30 21.696 23.670 24.914 1.00 0.00 C ATOM 439 C CYS A 30 20.571 23.198 23.972 1.00 0.00 C ATOM 440 O CYS A 30 20.089 23.952 23.123 1.00 0.00 O ATOM 441 CB CYS A 30 21.261 24.892 25.729 1.00 0.00 C ATOM 442 SG CYS A 30 22.404 25.420 27.031 1.00 0.00 S ATOM 0 H CYS A 30 23.083 24.960 24.014 1.00 0.00 H new ATOM 0 HA CYS A 30 21.894 22.840 25.593 1.00 0.00 H new ATOM 0 HB2 CYS A 30 21.110 25.727 25.044 1.00 0.00 H new ATOM 0 HB3 CYS A 30 20.295 24.675 26.186 1.00 0.00 H new ATOM 447 N HIS A 31 20.108 21.961 24.170 1.00 0.00 N ATOM 448 CA HIS A 31 18.904 21.403 23.539 1.00 0.00 C ATOM 449 C HIS A 31 17.806 21.291 24.607 1.00 0.00 C ATOM 450 O HIS A 31 17.794 20.364 25.422 1.00 0.00 O ATOM 451 CB HIS A 31 19.224 20.066 22.839 1.00 0.00 C ATOM 452 CG HIS A 31 19.815 20.210 21.450 1.00 0.00 C ATOM 453 ND1 HIS A 31 19.173 19.855 20.257 1.00 0.00 N ATOM 454 CD2 HIS A 31 21.033 20.738 21.141 1.00 0.00 C ATOM 455 CE1 HIS A 31 20.030 20.175 19.267 1.00 0.00 C ATOM 456 NE2 HIS A 31 21.152 20.707 19.766 1.00 0.00 N ATOM 0 H HIS A 31 20.572 21.299 24.792 1.00 0.00 H new ATOM 0 HA HIS A 31 18.538 22.061 22.751 1.00 0.00 H new ATOM 0 HB2 HIS A 31 19.921 19.503 23.460 1.00 0.00 H new ATOM 0 HB3 HIS A 31 18.309 19.477 22.772 1.00 0.00 H new ATOM 0 HD2 HIS A 31 21.767 21.111 21.840 1.00 0.00 H new ATOM 0 HE1 HIS A 31 19.838 20.023 18.215 1.00 0.00 H new ATOM 0 HE2 HIS A 31 21.954 21.032 19.226 1.00 0.00 H new ATOM 464 N GLY A 32 16.915 22.286 24.641 1.00 0.00 N ATOM 465 CA GLY A 32 15.884 22.461 25.665 1.00 0.00 C ATOM 466 C GLY A 32 16.467 22.933 26.999 1.00 0.00 C ATOM 467 O GLY A 32 16.996 24.042 27.104 1.00 0.00 O ATOM 0 H GLY A 32 16.892 23.017 23.930 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.147 23.185 25.316 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.358 21.518 25.814 1.00 0.00 H new ATOM 471 N THR A 33 16.357 22.072 28.010 1.00 0.00 N ATOM 472 CA THR A 33 16.859 22.235 29.392 1.00 0.00 C ATOM 473 C THR A 33 17.995 21.243 29.719 1.00 0.00 C ATOM 474 O THR A 33 18.248 20.927 30.881 1.00 0.00 O ATOM 475 CB THR A 33 15.705 22.169 30.415 1.00 0.00 C ATOM 476 OG1 THR A 33 15.074 20.900 30.412 1.00 0.00 O ATOM 477 CG2 THR A 33 14.627 23.220 30.140 1.00 0.00 C ATOM 0 H THR A 33 15.883 21.177 27.886 1.00 0.00 H new ATOM 0 HA THR A 33 17.298 23.230 29.466 1.00 0.00 H new ATOM 0 HB THR A 33 16.166 22.359 31.384 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.350 20.893 31.072 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.837 23.134 30.886 1.00 0.00 H new ATOM 0 HG22 THR A 33 15.068 24.216 30.192 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.208 23.060 29.147 1.00 0.00 H new ATOM 485 N LYS A 34 18.649 20.708 28.676 1.00 0.00 N ATOM 486 CA LYS A 34 19.752 19.731 28.700 1.00 0.00 C ATOM 487 C LYS A 34 20.874 20.097 27.711 1.00 0.00 C ATOM 488 O LYS A 34 20.715 20.986 26.873 1.00 0.00 O ATOM 489 CB LYS A 34 19.159 18.348 28.378 1.00 0.00 C ATOM 490 CG LYS A 34 18.267 17.781 29.494 1.00 0.00 C ATOM 491 CD LYS A 34 19.075 17.422 30.752 1.00 0.00 C ATOM 492 CE LYS A 34 18.300 16.432 31.623 1.00 0.00 C ATOM 493 NZ LYS A 34 17.574 17.070 32.742 1.00 0.00 N1+ ATOM 0 H LYS A 34 18.403 20.966 27.720 1.00 0.00 H new ATOM 0 HA LYS A 34 20.213 19.729 29.688 1.00 0.00 H new ATOM 0 HB2 LYS A 34 18.576 18.418 27.460 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.973 17.649 28.186 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.501 18.512 29.752 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.751 16.893 29.129 1.00 0.00 H new ATOM 0 HD2 LYS A 34 20.033 16.990 30.465 1.00 0.00 H new ATOM 0 HD3 LYS A 34 19.291 18.325 31.322 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.587 15.893 30.999 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.994 15.694 32.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 17.114 16.338 33.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.244 17.605 33.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.853 17.717 32.364 1.00 0.00 H new ATOM 507 N CYS A 35 22.011 19.406 27.809 1.00 0.00 N ATOM 508 CA CYS A 35 23.235 19.661 27.042 1.00 0.00 C ATOM 509 C CYS A 35 23.466 18.615 25.938 1.00 0.00 C ATOM 510 O CYS A 35 23.311 17.410 26.161 1.00 0.00 O ATOM 511 CB CYS A 35 24.413 19.676 28.024 1.00 0.00 C ATOM 512 SG CYS A 35 26.009 20.221 27.368 1.00 0.00 S ATOM 0 H CYS A 35 22.110 18.620 28.452 1.00 0.00 H new ATOM 0 HA CYS A 35 23.140 20.621 26.535 1.00 0.00 H new ATOM 0 HB2 CYS A 35 24.150 20.323 28.861 1.00 0.00 H new ATOM 0 HB3 CYS A 35 24.535 18.670 28.425 1.00 0.00 H new ATOM 517 N LYS A 36 23.908 19.062 24.761 1.00 0.00 N ATOM 518 CA LYS A 36 24.240 18.258 23.583 1.00 0.00 C ATOM 519 C LYS A 36 25.687 18.568 23.205 1.00 0.00 C ATOM 520 O LYS A 36 26.028 19.731 23.005 1.00 0.00 O ATOM 521 CB LYS A 36 23.250 18.651 22.471 1.00 0.00 C ATOM 522 CG LYS A 36 23.499 18.037 21.086 1.00 0.00 C ATOM 523 CD LYS A 36 23.124 16.558 20.961 1.00 0.00 C ATOM 524 CE LYS A 36 21.607 16.319 20.947 1.00 0.00 C ATOM 525 NZ LYS A 36 21.305 14.884 20.734 1.00 0.00 N1+ ATOM 0 H LYS A 36 24.053 20.058 24.595 1.00 0.00 H new ATOM 0 HA LYS A 36 24.157 17.185 23.759 1.00 0.00 H new ATOM 0 HB2 LYS A 36 22.247 18.372 22.793 1.00 0.00 H new ATOM 0 HB3 LYS A 36 23.262 19.736 22.371 1.00 0.00 H new ATOM 0 HG2 LYS A 36 22.934 18.604 20.346 1.00 0.00 H new ATOM 0 HG3 LYS A 36 24.554 18.152 20.838 1.00 0.00 H new ATOM 0 HD2 LYS A 36 23.557 16.156 20.045 1.00 0.00 H new ATOM 0 HD3 LYS A 36 23.565 16.006 21.791 1.00 0.00 H new ATOM 0 HE2 LYS A 36 21.173 16.651 21.890 1.00 0.00 H new ATOM 0 HE3 LYS A 36 21.147 16.914 20.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 20.275 14.743 20.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 21.702 14.577 19.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 21.726 14.323 21.502 1.00 0.00 H new ATOM 539 N CYS A 37 26.532 17.550 23.116 1.00 0.00 N ATOM 540 CA CYS A 37 27.925 17.703 22.683 1.00 0.00 C ATOM 541 C CYS A 37 28.091 17.715 21.149 1.00 0.00 C ATOM 542 O CYS A 37 27.420 16.983 20.413 1.00 0.00 O ATOM 543 CB CYS A 37 28.828 16.690 23.386 1.00 0.00 C ATOM 544 SG CYS A 37 28.918 16.817 25.204 1.00 0.00 S ATOM 0 H CYS A 37 26.275 16.589 23.342 1.00 0.00 H new ATOM 0 HA CYS A 37 28.253 18.694 22.995 1.00 0.00 H new ATOM 0 HB2 CYS A 37 28.484 15.688 23.129 1.00 0.00 H new ATOM 0 HB3 CYS A 37 29.836 16.793 22.985 1.00 0.00 H new ATOM 549 N GLY A 38 29.000 18.564 20.672 1.00 0.00 N ATOM 550 CA GLY A 38 29.341 18.810 19.270 1.00 0.00 C ATOM 551 C GLY A 38 30.746 18.322 18.900 1.00 0.00 C ATOM 552 O GLY A 38 31.234 17.320 19.426 1.00 0.00 O ATOM 0 H GLY A 38 29.559 19.141 21.301 1.00 0.00 H new ATOM 0 HA2 GLY A 38 28.610 18.313 18.632 1.00 0.00 H new ATOM 0 HA3 GLY A 38 29.268 19.878 19.066 1.00 0.00 H new ATOM 556 N VAL A 39 31.417 19.039 17.999 1.00 0.00 N ATOM 557 CA VAL A 39 32.809 18.774 17.587 1.00 0.00 C ATOM 558 C VAL A 39 33.837 18.932 18.718 1.00 0.00 C ATOM 559 O VAL A 39 33.574 19.644 19.683 1.00 0.00 O ATOM 560 CB VAL A 39 33.223 19.653 16.393 1.00 0.00 C ATOM 561 CG1 VAL A 39 32.562 19.147 15.111 1.00 0.00 C ATOM 562 CG2 VAL A 39 32.953 21.148 16.604 1.00 0.00 C ATOM 0 H VAL A 39 31.005 19.840 17.520 1.00 0.00 H new ATOM 0 HA VAL A 39 32.816 17.725 17.292 1.00 0.00 H new ATOM 0 HB VAL A 39 34.305 19.563 16.301 1.00 0.00 H new ATOM 0 HG11 VAL A 39 32.862 19.777 14.274 1.00 0.00 H new ATOM 0 HG12 VAL A 39 32.873 18.120 14.922 1.00 0.00 H new ATOM 0 HG13 VAL A 39 31.478 19.183 15.222 1.00 0.00 H new ATOM 0 HG21 VAL A 39 33.270 21.703 15.721 1.00 0.00 H new ATOM 0 HG22 VAL A 39 31.887 21.306 16.768 1.00 0.00 H new ATOM 0 HG23 VAL A 39 33.510 21.499 17.473 1.00 0.00 H new ATOM 572 N PRO A 40 35.011 18.280 18.635 1.00 0.00 N ATOM 573 CA PRO A 40 36.060 18.371 19.647 1.00 0.00 C ATOM 574 C PRO A 40 36.692 19.764 19.739 1.00 0.00 C ATOM 575 O PRO A 40 36.819 20.478 18.742 1.00 0.00 O ATOM 576 CB PRO A 40 37.079 17.278 19.300 1.00 0.00 C ATOM 577 CG PRO A 40 36.879 17.068 17.805 1.00 0.00 C ATOM 578 CD PRO A 40 35.383 17.310 17.622 1.00 0.00 C ATOM 0 HA PRO A 40 35.645 18.215 20.643 1.00 0.00 H new ATOM 0 HB2 PRO A 40 38.098 17.592 19.529 1.00 0.00 H new ATOM 0 HB3 PRO A 40 36.893 16.363 19.862 1.00 0.00 H new ATOM 0 HG2 PRO A 40 37.476 17.765 17.216 1.00 0.00 H new ATOM 0 HG3 PRO A 40 37.166 16.063 17.497 1.00 0.00 H new ATOM 0 HD2 PRO A 40 35.168 17.687 16.622 1.00 0.00 H new ATOM 0 HD3 PRO A 40 34.820 16.384 17.742 1.00 0.00 H new ATOM 586 N ILE A 41 37.140 20.129 20.946 1.00 0.00 N ATOM 587 CA ILE A 41 37.797 21.419 21.222 1.00 0.00 C ATOM 588 C ILE A 41 39.254 21.463 20.751 1.00 0.00 C ATOM 589 O ILE A 41 39.897 22.511 20.792 1.00 0.00 O ATOM 590 CB ILE A 41 37.663 21.829 22.704 1.00 0.00 C ATOM 591 CG1 ILE A 41 38.237 20.842 23.742 1.00 0.00 C ATOM 592 CG2 ILE A 41 36.184 22.075 23.036 1.00 0.00 C ATOM 593 CD1 ILE A 41 39.767 20.814 23.854 1.00 0.00 C ATOM 0 H ILE A 41 37.057 19.533 21.770 1.00 0.00 H new ATOM 0 HA ILE A 41 37.263 22.161 20.628 1.00 0.00 H new ATOM 0 HB ILE A 41 38.272 22.729 22.790 1.00 0.00 H new ATOM 0 HG12 ILE A 41 37.823 21.089 24.720 1.00 0.00 H new ATOM 0 HG13 ILE A 41 37.890 19.839 23.494 1.00 0.00 H new ATOM 0 HG21 ILE A 41 36.089 22.365 24.083 1.00 0.00 H new ATOM 0 HG22 ILE A 41 35.797 22.873 22.402 1.00 0.00 H new ATOM 0 HG23 ILE A 41 35.615 21.162 22.859 1.00 0.00 H new ATOM 0 HD11 ILE A 41 40.063 20.088 24.611 1.00 0.00 H new ATOM 0 HD12 ILE A 41 40.197 20.532 22.893 1.00 0.00 H new ATOM 0 HD13 ILE A 41 40.129 21.802 24.138 1.00 0.00 H new ATOM 605 N SER A 42 39.787 20.322 20.325 1.00 0.00 N ATOM 606 CA SER A 42 41.153 20.152 19.842 1.00 0.00 C ATOM 607 C SER A 42 41.313 20.615 18.380 1.00 0.00 C ATOM 608 O SER A 42 41.427 19.801 17.460 1.00 0.00 O ATOM 609 CB SER A 42 41.575 18.697 20.052 1.00 0.00 C ATOM 610 OG SER A 42 41.472 18.322 21.421 1.00 0.00 O ATOM 0 H SER A 42 39.255 19.452 20.306 1.00 0.00 H new ATOM 0 HA SER A 42 41.821 20.793 20.417 1.00 0.00 H new ATOM 0 HB2 SER A 42 40.949 18.043 19.445 1.00 0.00 H new ATOM 0 HB3 SER A 42 42.601 18.561 19.711 1.00 0.00 H new ATOM 0 HG SER A 42 40.540 18.403 21.713 1.00 0.00 H new ATOM 616 N TYR A 43 41.319 21.931 18.156 1.00 0.00 N ATOM 617 CA TYR A 43 41.449 22.570 16.830 1.00 0.00 C ATOM 618 C TYR A 43 42.904 22.667 16.331 1.00 0.00 C ATOM 619 O TYR A 43 43.192 22.429 15.150 1.00 0.00 O ATOM 620 CB TYR A 43 40.866 23.998 16.878 1.00 0.00 C ATOM 621 CG TYR A 43 39.410 24.108 17.279 1.00 0.00 C ATOM 622 CD1 TYR A 43 38.393 23.931 16.323 1.00 0.00 C ATOM 623 CD2 TYR A 43 39.067 24.400 18.611 1.00 0.00 C ATOM 624 CE1 TYR A 43 37.041 23.991 16.706 1.00 0.00 C ATOM 625 CE2 TYR A 43 37.716 24.446 19.001 1.00 0.00 C ATOM 626 CZ TYR A 43 36.697 24.233 18.051 1.00 0.00 C ATOM 627 OH TYR A 43 35.387 24.294 18.410 1.00 0.00 O ATOM 0 H TYR A 43 41.231 22.609 18.913 1.00 0.00 H new ATOM 0 HA TYR A 43 40.901 21.933 16.137 1.00 0.00 H new ATOM 0 HB2 TYR A 43 41.460 24.588 17.576 1.00 0.00 H new ATOM 0 HB3 TYR A 43 40.986 24.451 15.894 1.00 0.00 H new ATOM 0 HD1 TYR A 43 38.652 23.748 15.290 1.00 0.00 H new ATOM 0 HD2 TYR A 43 39.843 24.590 19.337 1.00 0.00 H new ATOM 0 HE1 TYR A 43 36.265 23.851 15.968 1.00 0.00 H new ATOM 0 HE2 TYR A 43 37.459 24.645 20.031 1.00 0.00 H new ATOM 0 HH TYR A 43 35.318 24.355 19.386 1.00 0.00 H new ATOM 637 N LEU A 44 43.819 23.063 17.222 1.00 0.00 N ATOM 638 CA LEU A 44 45.216 23.428 16.922 1.00 0.00 C ATOM 639 C LEU A 44 46.157 23.228 18.116 1.00 0.00 C ATOM 640 O LEU A 44 45.705 22.765 19.187 1.00 0.00 O ATOM 641 CB LEU A 44 45.228 24.861 16.322 1.00 0.00 C ATOM 642 CG LEU A 44 44.630 26.009 17.158 1.00 0.00 C ATOM 643 CD1 LEU A 44 45.481 26.370 18.370 1.00 0.00 C ATOM 644 CD2 LEU A 44 44.533 27.258 16.287 1.00 0.00 C ATOM 645 OXT LEU A 44 47.372 23.496 17.959 1.00 0.00 O1- ATOM 0 H LEU A 44 43.602 23.143 18.215 1.00 0.00 H new ATOM 0 HA LEU A 44 45.624 22.746 16.176 1.00 0.00 H new ATOM 0 HB2 LEU A 44 46.263 25.118 16.097 1.00 0.00 H new ATOM 0 HB3 LEU A 44 44.694 24.828 15.372 1.00 0.00 H new ATOM 0 HG LEU A 44 43.656 25.667 17.509 1.00 0.00 H new ATOM 0 HD11 LEU A 44 45.007 27.185 18.918 1.00 0.00 H new ATOM 0 HD12 LEU A 44 45.574 25.501 19.021 1.00 0.00 H new ATOM 0 HD13 LEU A 44 46.471 26.683 18.039 1.00 0.00 H new ATOM 0 HD21 LEU A 44 44.111 28.076 16.870 1.00 0.00 H new ATOM 0 HD22 LEU A 44 45.527 27.536 15.938 1.00 0.00 H new ATOM 0 HD23 LEU A 44 43.891 27.055 15.430 1.00 0.00 H new TER 657 LEU A 44