USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 440 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 Set 1.1: A 56 ASN : amide:sc=-0.000121 X(o=0.098,f=-0.27) USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.0982 USER MOD Set 2.1: A 53 ASN : amide:sc= 0.517 K(o=0.61,f=-4.9!) USER MOD Set 2.2: A 54 THR OG1 : rot 180:sc= 0.0951 USER MOD Set 3.1: A 26 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 28 SER OG : rot 180:sc= 0.143 USER MOD Single : A 3 THR OG1 : rot -160:sc= -0.492 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.52 K(o=0.52,f=-5.4!) USER MOD Single : A 9 THR OG1 : rot 89:sc= -0.605 USER MOD Single : A 11 SER OG : rot 92:sc= 0.03 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= 2.32 (180deg=2.29) USER MOD Single : A 18 TYR OH : rot -137:sc= 0.756 USER MOD Single : A 21 GLN : amide:sc= 0.751 K(o=0.75,f=-0.13) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0313 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 81:sc= 0.121 USER MOD Single : A 38 SER OG : rot 112:sc= 1.25 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 177:sc= 1.26 (180deg=1.17) USER MOD Single : A 48 LYS NZ :NH3+ -173:sc= 0.19 (180deg=0.0421) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0428 USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-3.8!) USER MOD Single : A 65 ASN : amide:sc= 0.997 K(o=1,f=-8.1!) USER MOD ----------------------------------------------------------------- ATOM 14 N ALA A 2 0.704 13.630 -6.344 1.00 0.00 N ATOM 15 CA ALA A 2 1.987 12.952 -6.274 1.00 0.00 C ATOM 16 C ALA A 2 2.661 13.215 -4.936 1.00 0.00 C ATOM 17 O ALA A 2 3.153 14.317 -4.678 1.00 0.00 O ATOM 18 CB ALA A 2 2.885 13.390 -7.423 1.00 0.00 C ATOM 0 HA ALA A 2 1.814 11.880 -6.363 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.842 12.872 -7.355 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.407 13.146 -8.372 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.050 14.466 -7.366 1.00 0.00 H new ATOM 24 N THR A 3 2.651 12.211 -4.079 1.00 0.00 N ATOM 25 CA THR A 3 3.295 12.306 -2.785 1.00 0.00 C ATOM 26 C THR A 3 4.795 12.054 -2.901 1.00 0.00 C ATOM 27 O THR A 3 5.587 12.693 -2.209 1.00 0.00 O ATOM 28 CB THR A 3 2.685 11.299 -1.798 1.00 0.00 C ATOM 29 OG1 THR A 3 1.553 10.659 -2.403 1.00 0.00 O ATOM 30 CG2 THR A 3 2.258 11.989 -0.515 1.00 0.00 C ATOM 0 H THR A 3 2.200 11.314 -4.259 1.00 0.00 H new ATOM 0 HA THR A 3 3.133 13.317 -2.412 1.00 0.00 H new ATOM 0 HB THR A 3 3.441 10.554 -1.552 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.985 10.272 -1.705 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.829 11.255 0.167 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.125 12.457 -0.048 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.513 12.751 -0.742 1.00 0.00 H new ATOM 38 N THR A 4 5.169 11.141 -3.804 1.00 0.00 N ATOM 39 CA THR A 4 6.561 10.726 -3.977 1.00 0.00 C ATOM 40 C THR A 4 7.215 10.429 -2.627 1.00 0.00 C ATOM 41 O THR A 4 8.029 11.208 -2.129 1.00 0.00 O ATOM 42 CB THR A 4 7.380 11.794 -4.725 1.00 0.00 C ATOM 43 OG1 THR A 4 6.562 12.447 -5.706 1.00 0.00 O ATOM 44 CG2 THR A 4 8.591 11.171 -5.404 1.00 0.00 C ATOM 0 H THR A 4 4.516 10.672 -4.432 1.00 0.00 H new ATOM 0 HA THR A 4 6.552 9.815 -4.576 1.00 0.00 H new ATOM 0 HB THR A 4 7.726 12.527 -3.996 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.092 13.125 -6.175 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.154 11.945 -5.926 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.228 10.703 -4.654 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.260 10.418 -6.120 1.00 0.00 H new ATOM 52 N ILE A 5 6.856 9.294 -2.046 1.00 0.00 N ATOM 53 CA ILE A 5 7.292 8.952 -0.701 1.00 0.00 C ATOM 54 C ILE A 5 8.794 8.690 -0.655 1.00 0.00 C ATOM 55 O ILE A 5 9.391 8.245 -1.639 1.00 0.00 O ATOM 56 CB ILE A 5 6.527 7.726 -0.151 1.00 0.00 C ATOM 57 CG1 ILE A 5 7.107 6.420 -0.692 1.00 0.00 C ATOM 58 CG2 ILE A 5 5.051 7.821 -0.500 1.00 0.00 C ATOM 59 CD1 ILE A 5 6.832 5.228 0.196 1.00 0.00 C ATOM 0 H ILE A 5 6.262 8.592 -2.487 1.00 0.00 H new ATOM 0 HA ILE A 5 7.068 9.810 -0.067 1.00 0.00 H new ATOM 0 HB ILE A 5 6.639 7.725 0.933 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.693 6.230 -1.682 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.184 6.532 -0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.527 6.950 -0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.631 8.726 -0.062 1.00 0.00 H new ATOM 0 HG23 ILE A 5 4.935 7.854 -1.583 1.00 0.00 H new ATOM 0 HD11 ILE A 5 7.272 4.335 -0.248 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.270 5.398 1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.755 5.091 0.297 1.00 0.00 H new ATOM 71 N GLY A 6 9.396 8.984 0.484 1.00 0.00 N ATOM 72 CA GLY A 6 10.818 8.780 0.646 1.00 0.00 C ATOM 73 C GLY A 6 11.134 7.460 1.315 1.00 0.00 C ATOM 74 O GLY A 6 10.527 6.441 0.989 1.00 0.00 O ATOM 0 H GLY A 6 8.922 9.363 1.304 1.00 0.00 H new ATOM 0 HA2 GLY A 6 11.302 8.816 -0.330 1.00 0.00 H new ATOM 0 HA3 GLY A 6 11.235 9.594 1.238 1.00 0.00 H new ATOM 78 N PRO A 7 12.072 7.451 2.272 1.00 0.00 N ATOM 79 CA PRO A 7 12.493 6.237 2.964 1.00 0.00 C ATOM 80 C PRO A 7 11.513 5.825 4.059 1.00 0.00 C ATOM 81 O PRO A 7 11.780 6.028 5.244 1.00 0.00 O ATOM 82 CB PRO A 7 13.854 6.614 3.577 1.00 0.00 C ATOM 83 CG PRO A 7 14.128 8.024 3.153 1.00 0.00 C ATOM 84 CD PRO A 7 12.806 8.617 2.760 1.00 0.00 C ATOM 0 HA PRO A 7 12.542 5.385 2.286 1.00 0.00 H new ATOM 0 HB2 PRO A 7 13.827 6.533 4.664 1.00 0.00 H new ATOM 0 HB3 PRO A 7 14.638 5.943 3.226 1.00 0.00 H new ATOM 0 HG2 PRO A 7 14.581 8.592 3.965 1.00 0.00 H new ATOM 0 HG3 PRO A 7 14.828 8.049 2.318 1.00 0.00 H new ATOM 0 HD2 PRO A 7 12.305 9.088 3.605 1.00 0.00 H new ATOM 0 HD3 PRO A 7 12.916 9.380 1.989 1.00 0.00 H new ATOM 92 N ASN A 8 10.372 5.267 3.641 1.00 0.00 N ATOM 93 CA ASN A 8 9.352 4.751 4.552 1.00 0.00 C ATOM 94 C ASN A 8 8.600 5.884 5.233 1.00 0.00 C ATOM 95 O ASN A 8 9.135 6.590 6.086 1.00 0.00 O ATOM 96 CB ASN A 8 9.953 3.809 5.602 1.00 0.00 C ATOM 97 CG ASN A 8 8.918 3.333 6.604 1.00 0.00 C ATOM 98 OD1 ASN A 8 7.749 3.134 6.268 1.00 0.00 O ATOM 99 ND2 ASN A 8 9.335 3.141 7.842 1.00 0.00 N ATOM 0 H ASN A 8 10.132 5.161 2.655 1.00 0.00 H new ATOM 0 HA ASN A 8 8.647 4.178 3.949 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.397 2.947 5.103 1.00 0.00 H new ATOM 0 HB3 ASN A 8 10.758 4.321 6.129 1.00 0.00 H new ATOM 0 HD21 ASN A 8 8.682 2.818 8.556 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.310 3.316 8.085 1.00 0.00 H new ATOM 106 N THR A 9 7.348 6.038 4.850 1.00 0.00 N ATOM 107 CA THR A 9 6.497 7.089 5.376 1.00 0.00 C ATOM 108 C THR A 9 5.934 6.724 6.757 1.00 0.00 C ATOM 109 O THR A 9 5.439 7.585 7.483 1.00 0.00 O ATOM 110 CB THR A 9 5.349 7.349 4.385 1.00 0.00 C ATOM 111 OG1 THR A 9 5.825 7.149 3.046 1.00 0.00 O ATOM 112 CG2 THR A 9 4.796 8.759 4.529 1.00 0.00 C ATOM 0 H THR A 9 6.891 5.437 4.164 1.00 0.00 H new ATOM 0 HA THR A 9 7.096 7.992 5.498 1.00 0.00 H new ATOM 0 HB THR A 9 4.542 6.650 4.605 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.708 6.209 2.794 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.987 8.907 3.814 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.416 8.899 5.541 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.588 9.482 4.336 1.00 0.00 H new ATOM 120 N CYS A 10 6.028 5.451 7.121 1.00 0.00 N ATOM 121 CA CYS A 10 5.512 4.984 8.403 1.00 0.00 C ATOM 122 C CYS A 10 6.641 4.450 9.279 1.00 0.00 C ATOM 123 O CYS A 10 6.836 3.238 9.391 1.00 0.00 O ATOM 124 CB CYS A 10 4.458 3.894 8.188 1.00 0.00 C ATOM 125 SG CYS A 10 2.926 4.474 7.387 1.00 0.00 S ATOM 0 H CYS A 10 6.456 4.724 6.548 1.00 0.00 H new ATOM 0 HA CYS A 10 5.049 5.830 8.911 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.893 3.100 7.581 1.00 0.00 H new ATOM 0 HB3 CYS A 10 4.205 3.455 9.153 1.00 0.00 H new ATOM 130 N SER A 11 7.385 5.356 9.896 1.00 0.00 N ATOM 131 CA SER A 11 8.510 4.982 10.745 1.00 0.00 C ATOM 132 C SER A 11 8.047 4.492 12.119 1.00 0.00 C ATOM 133 O SER A 11 8.376 5.086 13.148 1.00 0.00 O ATOM 134 CB SER A 11 9.451 6.174 10.898 1.00 0.00 C ATOM 135 OG SER A 11 9.302 7.068 9.808 1.00 0.00 O ATOM 0 H SER A 11 7.230 6.362 9.825 1.00 0.00 H new ATOM 0 HA SER A 11 9.037 4.156 10.266 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.241 6.693 11.833 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.482 5.826 10.952 1.00 0.00 H new ATOM 0 HG SER A 11 8.635 7.749 10.033 1.00 0.00 H new ATOM 141 N ILE A 12 7.281 3.412 12.131 1.00 0.00 N ATOM 142 CA ILE A 12 6.835 2.803 13.376 1.00 0.00 C ATOM 143 C ILE A 12 7.589 1.497 13.610 1.00 0.00 C ATOM 144 O ILE A 12 8.691 1.495 14.159 1.00 0.00 O ATOM 145 CB ILE A 12 5.311 2.523 13.374 1.00 0.00 C ATOM 146 CG1 ILE A 12 4.559 3.575 12.540 1.00 0.00 C ATOM 147 CG2 ILE A 12 4.776 2.476 14.802 1.00 0.00 C ATOM 148 CD1 ILE A 12 4.244 4.854 13.289 1.00 0.00 C ATOM 0 H ILE A 12 6.954 2.937 11.290 1.00 0.00 H new ATOM 0 HA ILE A 12 7.044 3.509 14.179 1.00 0.00 H new ATOM 0 HB ILE A 12 5.143 1.550 12.913 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.156 3.820 11.661 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.627 3.139 12.181 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.704 2.278 14.783 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.281 1.683 15.354 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.960 3.433 15.291 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.714 5.541 12.629 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.619 4.626 14.153 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.172 5.317 13.625 1.00 0.00 H new ATOM 160 N ASP A 13 7.000 0.395 13.170 1.00 0.00 N ATOM 161 CA ASP A 13 7.636 -0.914 13.259 1.00 0.00 C ATOM 162 C ASP A 13 7.633 -1.565 11.880 1.00 0.00 C ATOM 163 O ASP A 13 7.885 -0.897 10.876 1.00 0.00 O ATOM 164 CB ASP A 13 6.895 -1.797 14.274 1.00 0.00 C ATOM 165 CG ASP A 13 7.772 -2.893 14.861 1.00 0.00 C ATOM 166 OD1 ASP A 13 8.007 -3.905 14.171 1.00 0.00 O ATOM 167 OD2 ASP A 13 8.215 -2.748 16.020 1.00 0.00 O ATOM 0 H ASP A 13 6.074 0.381 12.744 1.00 0.00 H new ATOM 0 HA ASP A 13 8.665 -0.798 13.599 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.515 -1.172 15.082 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.031 -2.251 13.789 1.00 0.00 H new ATOM 172 N ASP A 14 7.317 -2.851 11.823 1.00 0.00 N ATOM 173 CA ASP A 14 7.225 -3.573 10.559 1.00 0.00 C ATOM 174 C ASP A 14 5.892 -3.276 9.865 1.00 0.00 C ATOM 175 O ASP A 14 5.130 -4.176 9.517 1.00 0.00 O ATOM 176 CB ASP A 14 7.380 -5.074 10.812 1.00 0.00 C ATOM 177 CG ASP A 14 7.397 -5.895 9.538 1.00 0.00 C ATOM 178 OD1 ASP A 14 8.094 -5.513 8.576 1.00 0.00 O ATOM 179 OD2 ASP A 14 6.716 -6.941 9.502 1.00 0.00 O ATOM 0 H ASP A 14 7.118 -3.421 12.645 1.00 0.00 H new ATOM 0 HA ASP A 14 8.028 -3.241 9.901 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.304 -5.250 11.362 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.562 -5.416 11.446 1.00 0.00 H new ATOM 184 N TYR A 15 5.614 -1.998 9.686 1.00 0.00 N ATOM 185 CA TYR A 15 4.404 -1.563 9.010 1.00 0.00 C ATOM 186 C TYR A 15 4.779 -0.901 7.695 1.00 0.00 C ATOM 187 O TYR A 15 5.011 0.308 7.640 1.00 0.00 O ATOM 188 CB TYR A 15 3.610 -0.599 9.890 1.00 0.00 C ATOM 189 CG TYR A 15 2.505 -1.268 10.681 1.00 0.00 C ATOM 190 CD1 TYR A 15 1.435 -1.885 10.040 1.00 0.00 C ATOM 191 CD2 TYR A 15 2.529 -1.277 12.069 1.00 0.00 C ATOM 192 CE1 TYR A 15 0.424 -2.490 10.762 1.00 0.00 C ATOM 193 CE2 TYR A 15 1.522 -1.881 12.797 1.00 0.00 C ATOM 194 CZ TYR A 15 0.471 -2.485 12.140 1.00 0.00 C ATOM 195 OH TYR A 15 -0.537 -3.084 12.862 1.00 0.00 O ATOM 0 H TYR A 15 6.215 -1.237 10.002 1.00 0.00 H new ATOM 0 HA TYR A 15 3.772 -2.429 8.812 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.293 -0.106 10.582 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.176 0.179 9.262 1.00 0.00 H new ATOM 0 HD1 TYR A 15 1.394 -1.891 8.961 1.00 0.00 H new ATOM 0 HD2 TYR A 15 3.349 -0.804 12.589 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.399 -2.965 10.249 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.558 -1.880 13.876 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.352 -2.993 13.820 1.00 0.00 H new ATOM 205 N LYS A 16 4.857 -1.704 6.648 1.00 0.00 N ATOM 206 CA LYS A 16 5.352 -1.246 5.357 1.00 0.00 C ATOM 207 C LYS A 16 4.400 -0.234 4.727 1.00 0.00 C ATOM 208 O LYS A 16 3.181 -0.392 4.788 1.00 0.00 O ATOM 209 CB LYS A 16 5.553 -2.441 4.420 1.00 0.00 C ATOM 210 CG LYS A 16 6.895 -3.136 4.587 1.00 0.00 C ATOM 211 CD LYS A 16 6.922 -4.024 5.825 1.00 0.00 C ATOM 212 CE LYS A 16 6.671 -5.484 5.479 1.00 0.00 C ATOM 213 NZ LYS A 16 7.684 -6.378 6.101 1.00 0.00 N ATOM 0 H LYS A 16 4.582 -2.686 6.666 1.00 0.00 H new ATOM 0 HA LYS A 16 6.310 -0.750 5.516 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.756 -3.164 4.594 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.456 -2.102 3.389 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.105 -3.738 3.703 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.685 -2.389 4.658 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.889 -3.929 6.320 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.167 -3.683 6.533 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.675 -5.772 5.816 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.690 -5.610 4.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.532 -7.354 5.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.637 -6.066 5.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.592 -6.340 7.136 1.00 0.00 H new ATOM 227 N PRO A 17 4.952 0.831 4.127 1.00 0.00 N ATOM 228 CA PRO A 17 4.160 1.861 3.459 1.00 0.00 C ATOM 229 C PRO A 17 3.709 1.426 2.067 1.00 0.00 C ATOM 230 O PRO A 17 4.529 1.129 1.190 1.00 0.00 O ATOM 231 CB PRO A 17 5.127 3.040 3.366 1.00 0.00 C ATOM 232 CG PRO A 17 6.482 2.420 3.308 1.00 0.00 C ATOM 233 CD PRO A 17 6.399 1.117 4.062 1.00 0.00 C ATOM 0 HA PRO A 17 3.240 2.089 3.998 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.930 3.644 2.480 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.031 3.699 4.229 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.785 2.250 2.275 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.227 3.078 3.755 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.940 0.323 3.547 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.833 1.204 5.058 1.00 0.00 H new ATOM 241 N TYR A 18 2.405 1.381 1.877 1.00 0.00 N ATOM 242 CA TYR A 18 1.828 0.999 0.601 1.00 0.00 C ATOM 243 C TYR A 18 0.921 2.105 0.087 1.00 0.00 C ATOM 244 O TYR A 18 0.353 2.870 0.868 1.00 0.00 O ATOM 245 CB TYR A 18 1.037 -0.306 0.733 1.00 0.00 C ATOM 246 CG TYR A 18 1.893 -1.507 1.060 1.00 0.00 C ATOM 247 CD1 TYR A 18 2.679 -2.109 0.088 1.00 0.00 C ATOM 248 CD2 TYR A 18 1.917 -2.032 2.342 1.00 0.00 C ATOM 249 CE1 TYR A 18 3.466 -3.204 0.388 1.00 0.00 C ATOM 250 CE2 TYR A 18 2.701 -3.124 2.651 1.00 0.00 C ATOM 251 CZ TYR A 18 3.474 -3.706 1.671 1.00 0.00 C ATOM 252 OH TYR A 18 4.263 -4.789 1.975 1.00 0.00 O ATOM 0 H TYR A 18 1.719 1.606 2.597 1.00 0.00 H new ATOM 0 HA TYR A 18 2.639 0.842 -0.110 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.283 -0.186 1.511 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.505 -0.494 -0.200 1.00 0.00 H new ATOM 0 HD1 TYR A 18 2.676 -1.716 -0.918 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.311 -1.578 3.113 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.072 -3.664 -0.379 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.709 -3.520 3.656 1.00 0.00 H new ATOM 0 HH TYR A 18 3.759 -5.413 2.538 1.00 0.00 H new ATOM 262 N CYS A 19 0.795 2.191 -1.225 1.00 0.00 N ATOM 263 CA CYS A 19 -0.070 3.181 -1.845 1.00 0.00 C ATOM 264 C CYS A 19 -1.496 2.658 -1.914 1.00 0.00 C ATOM 265 O CYS A 19 -1.907 2.077 -2.919 1.00 0.00 O ATOM 266 CB CYS A 19 0.428 3.529 -3.250 1.00 0.00 C ATOM 267 SG CYS A 19 0.403 5.310 -3.629 1.00 0.00 S ATOM 0 H CYS A 19 1.283 1.585 -1.885 1.00 0.00 H new ATOM 0 HA CYS A 19 -0.050 4.085 -1.237 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.447 3.159 -3.365 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.186 3.004 -3.982 1.00 0.00 H new ATOM 272 N CYS A 20 -2.235 2.850 -0.833 1.00 0.00 N ATOM 273 CA CYS A 20 -3.610 2.383 -0.750 1.00 0.00 C ATOM 274 C CYS A 20 -4.567 3.429 -1.298 1.00 0.00 C ATOM 275 O CYS A 20 -4.344 4.631 -1.151 1.00 0.00 O ATOM 276 CB CYS A 20 -3.982 2.058 0.699 1.00 0.00 C ATOM 277 SG CYS A 20 -3.163 0.576 1.370 1.00 0.00 S ATOM 0 H CYS A 20 -1.903 3.329 0.004 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.693 1.477 -1.351 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.731 2.913 1.327 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.062 1.922 0.763 1.00 0.00 H new ATOM 282 N GLN A 21 -5.624 2.966 -1.944 1.00 0.00 N ATOM 283 CA GLN A 21 -6.650 3.854 -2.457 1.00 0.00 C ATOM 284 C GLN A 21 -8.025 3.346 -2.053 1.00 0.00 C ATOM 285 O GLN A 21 -8.289 2.147 -2.097 1.00 0.00 O ATOM 286 CB GLN A 21 -6.555 3.974 -3.982 1.00 0.00 C ATOM 287 CG GLN A 21 -6.337 2.649 -4.696 1.00 0.00 C ATOM 288 CD GLN A 21 -5.076 2.640 -5.539 1.00 0.00 C ATOM 289 OE1 GLN A 21 -5.059 3.136 -6.664 1.00 0.00 O ATOM 290 NE2 GLN A 21 -4.010 2.065 -5.010 1.00 0.00 N ATOM 0 H GLN A 21 -5.793 1.977 -2.125 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.496 4.844 -2.028 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.471 4.431 -4.358 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.736 4.649 -4.232 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -6.282 1.848 -3.959 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.196 2.438 -5.332 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.059 1.663 -4.074 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -3.138 2.023 -5.538 1.00 0.00 H new ATOM 299 N SER A 22 -8.889 4.253 -1.636 1.00 0.00 N ATOM 300 CA SER A 22 -10.251 3.893 -1.293 1.00 0.00 C ATOM 301 C SER A 22 -11.093 3.804 -2.562 1.00 0.00 C ATOM 302 O SER A 22 -11.773 4.759 -2.940 1.00 0.00 O ATOM 303 CB SER A 22 -10.831 4.921 -0.320 1.00 0.00 C ATOM 304 OG SER A 22 -9.799 5.694 0.277 1.00 0.00 O ATOM 0 H SER A 22 -8.671 5.244 -1.527 1.00 0.00 H new ATOM 0 HA SER A 22 -10.260 2.919 -0.804 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.523 5.577 -0.848 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.404 4.411 0.455 1.00 0.00 H new ATOM 0 HG SER A 22 -10.193 6.346 0.894 1.00 0.00 H new ATOM 310 N MET A 23 -11.029 2.652 -3.215 1.00 0.00 N ATOM 311 CA MET A 23 -11.679 2.462 -4.505 1.00 0.00 C ATOM 312 C MET A 23 -13.173 2.213 -4.346 1.00 0.00 C ATOM 313 O MET A 23 -13.589 1.244 -3.705 1.00 0.00 O ATOM 314 CB MET A 23 -11.040 1.292 -5.255 1.00 0.00 C ATOM 315 CG MET A 23 -9.908 1.705 -6.181 1.00 0.00 C ATOM 316 SD MET A 23 -10.185 1.202 -7.892 1.00 0.00 S ATOM 317 CE MET A 23 -8.497 0.960 -8.443 1.00 0.00 C ATOM 0 H MET A 23 -10.531 1.831 -2.871 1.00 0.00 H new ATOM 0 HA MET A 23 -11.544 3.379 -5.079 1.00 0.00 H new ATOM 0 HB2 MET A 23 -10.660 0.571 -4.531 1.00 0.00 H new ATOM 0 HB3 MET A 23 -11.807 0.783 -5.838 1.00 0.00 H new ATOM 0 HG2 MET A 23 -9.788 2.788 -6.140 1.00 0.00 H new ATOM 0 HG3 MET A 23 -8.975 1.267 -5.825 1.00 0.00 H new ATOM 0 HE1 MET A 23 -8.496 0.646 -9.487 1.00 0.00 H new ATOM 0 HE2 MET A 23 -7.945 1.895 -8.345 1.00 0.00 H new ATOM 0 HE3 MET A 23 -8.022 0.192 -7.833 1.00 0.00 H new ATOM 327 N SER A 24 -13.970 3.095 -4.931 1.00 0.00 N ATOM 328 CA SER A 24 -15.414 2.944 -4.942 1.00 0.00 C ATOM 329 C SER A 24 -15.815 1.759 -5.819 1.00 0.00 C ATOM 330 O SER A 24 -15.394 1.660 -6.977 1.00 0.00 O ATOM 331 CB SER A 24 -16.054 4.235 -5.453 1.00 0.00 C ATOM 332 OG SER A 24 -15.062 5.226 -5.684 1.00 0.00 O ATOM 0 H SER A 24 -13.634 3.931 -5.409 1.00 0.00 H new ATOM 0 HA SER A 24 -15.767 2.750 -3.929 1.00 0.00 H new ATOM 0 HB2 SER A 24 -16.600 4.037 -6.375 1.00 0.00 H new ATOM 0 HB3 SER A 24 -16.779 4.601 -4.726 1.00 0.00 H new ATOM 0 HG SER A 24 -14.637 5.067 -6.552 1.00 0.00 H new ATOM 338 N GLY A 25 -16.605 0.861 -5.258 1.00 0.00 N ATOM 339 CA GLY A 25 -17.020 -0.324 -5.976 1.00 0.00 C ATOM 340 C GLY A 25 -17.342 -1.455 -5.027 1.00 0.00 C ATOM 341 O GLY A 25 -18.497 -1.857 -4.898 1.00 0.00 O ATOM 0 H GLY A 25 -16.970 0.932 -4.308 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.896 -0.096 -6.584 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.229 -0.634 -6.659 1.00 0.00 H new ATOM 345 N SER A 26 -16.320 -1.970 -4.359 1.00 0.00 N ATOM 346 CA SER A 26 -16.513 -2.992 -3.340 1.00 0.00 C ATOM 347 C SER A 26 -16.075 -2.474 -1.974 1.00 0.00 C ATOM 348 O SER A 26 -16.206 -3.169 -0.964 1.00 0.00 O ATOM 349 CB SER A 26 -15.718 -4.244 -3.704 1.00 0.00 C ATOM 350 OG SER A 26 -14.901 -4.010 -4.841 1.00 0.00 O ATOM 0 H SER A 26 -15.348 -1.697 -4.504 1.00 0.00 H new ATOM 0 HA SER A 26 -17.573 -3.242 -3.292 1.00 0.00 H new ATOM 0 HB2 SER A 26 -15.097 -4.544 -2.860 1.00 0.00 H new ATOM 0 HB3 SER A 26 -16.402 -5.069 -3.906 1.00 0.00 H new ATOM 0 HG SER A 26 -14.399 -4.824 -5.056 1.00 0.00 H new ATOM 356 N ALA A 27 -15.568 -1.239 -1.961 1.00 0.00 N ATOM 357 CA ALA A 27 -15.028 -0.619 -0.752 1.00 0.00 C ATOM 358 C ALA A 27 -13.916 -1.481 -0.160 1.00 0.00 C ATOM 359 O ALA A 27 -13.827 -1.663 1.057 1.00 0.00 O ATOM 360 CB ALA A 27 -16.134 -0.371 0.270 1.00 0.00 C ATOM 0 H ALA A 27 -15.521 -0.643 -2.787 1.00 0.00 H new ATOM 0 HA ALA A 27 -14.601 0.347 -1.022 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -15.709 0.091 1.161 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -16.884 0.293 -0.160 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.600 -1.319 0.539 1.00 0.00 H new ATOM 366 N SER A 28 -13.080 -2.022 -1.032 1.00 0.00 N ATOM 367 CA SER A 28 -11.991 -2.884 -0.618 1.00 0.00 C ATOM 368 C SER A 28 -10.776 -2.057 -0.208 1.00 0.00 C ATOM 369 O SER A 28 -10.675 -1.621 0.940 1.00 0.00 O ATOM 370 CB SER A 28 -11.639 -3.829 -1.765 1.00 0.00 C ATOM 371 OG SER A 28 -12.229 -3.386 -2.979 1.00 0.00 O ATOM 0 H SER A 28 -13.139 -1.876 -2.040 1.00 0.00 H new ATOM 0 HA SER A 28 -12.302 -3.468 0.248 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.556 -3.883 -1.879 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.985 -4.836 -1.533 1.00 0.00 H new ATOM 0 HG SER A 28 -11.991 -4.003 -3.702 1.00 0.00 H new ATOM 377 N LEU A 29 -9.873 -1.844 -1.160 1.00 0.00 N ATOM 378 CA LEU A 29 -8.664 -1.054 -0.948 1.00 0.00 C ATOM 379 C LEU A 29 -7.837 -1.031 -2.230 1.00 0.00 C ATOM 380 O LEU A 29 -8.223 -0.405 -3.216 1.00 0.00 O ATOM 381 CB LEU A 29 -7.817 -1.614 0.208 1.00 0.00 C ATOM 382 CG LEU A 29 -7.798 -0.769 1.487 1.00 0.00 C ATOM 383 CD1 LEU A 29 -6.831 -1.366 2.499 1.00 0.00 C ATOM 384 CD2 LEU A 29 -7.416 0.670 1.176 1.00 0.00 C ATOM 0 H LEU A 29 -9.959 -2.216 -2.106 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.965 -0.041 -0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.187 -2.609 0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.792 -1.734 -0.142 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.800 -0.772 1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.827 -0.756 3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.144 -2.380 2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.828 -1.390 2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.409 1.252 2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.424 0.694 0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.141 1.097 0.483 1.00 0.00 H new ATOM 396 N GLY A 30 -6.725 -1.751 -2.225 1.00 0.00 N ATOM 397 CA GLY A 30 -5.819 -1.723 -3.350 1.00 0.00 C ATOM 398 C GLY A 30 -4.600 -0.891 -3.036 1.00 0.00 C ATOM 399 O GLY A 30 -4.691 0.330 -2.909 1.00 0.00 O ATOM 0 H GLY A 30 -6.435 -2.356 -1.457 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.516 -2.739 -3.604 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.328 -1.315 -4.223 1.00 0.00 H new ATOM 403 N CYS A 31 -3.457 -1.545 -2.900 1.00 0.00 N ATOM 404 CA CYS A 31 -2.241 -0.869 -2.476 1.00 0.00 C ATOM 405 C CYS A 31 -1.025 -1.447 -3.180 1.00 0.00 C ATOM 406 O CYS A 31 -0.758 -2.642 -3.092 1.00 0.00 O ATOM 407 CB CYS A 31 -2.049 -0.993 -0.961 1.00 0.00 C ATOM 408 SG CYS A 31 -3.582 -0.875 0.017 1.00 0.00 S ATOM 0 H CYS A 31 -3.346 -2.543 -3.077 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.343 0.183 -2.742 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.571 -1.949 -0.747 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.363 -0.213 -0.631 1.00 0.00 H new ATOM 413 N VAL A 32 -0.293 -0.598 -3.885 1.00 0.00 N ATOM 414 CA VAL A 32 0.953 -1.013 -4.509 1.00 0.00 C ATOM 415 C VAL A 32 2.119 -0.712 -3.575 1.00 0.00 C ATOM 416 O VAL A 32 1.970 0.057 -2.623 1.00 0.00 O ATOM 417 CB VAL A 32 1.189 -0.324 -5.873 1.00 0.00 C ATOM 418 CG1 VAL A 32 1.456 -1.361 -6.949 1.00 0.00 C ATOM 419 CG2 VAL A 32 0.003 0.548 -6.263 1.00 0.00 C ATOM 0 H VAL A 32 -0.540 0.380 -4.039 1.00 0.00 H new ATOM 0 HA VAL A 32 0.883 -2.085 -4.694 1.00 0.00 H new ATOM 0 HB VAL A 32 2.063 0.320 -5.777 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.620 -0.861 -7.904 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.341 -1.939 -6.685 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.598 -2.028 -7.032 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.199 1.019 -7.226 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.893 -0.068 -6.336 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.147 1.318 -5.506 1.00 0.00 H new ATOM 429 N VAL A 33 3.268 -1.313 -3.847 1.00 0.00 N ATOM 430 CA VAL A 33 4.425 -1.199 -2.963 1.00 0.00 C ATOM 431 C VAL A 33 4.998 0.217 -2.969 1.00 0.00 C ATOM 432 O VAL A 33 5.403 0.729 -4.010 1.00 0.00 O ATOM 433 CB VAL A 33 5.544 -2.195 -3.347 1.00 0.00 C ATOM 434 CG1 VAL A 33 5.813 -3.157 -2.201 1.00 0.00 C ATOM 435 CG2 VAL A 33 5.195 -2.962 -4.620 1.00 0.00 C ATOM 0 H VAL A 33 3.427 -1.887 -4.675 1.00 0.00 H new ATOM 0 HA VAL A 33 4.067 -1.438 -1.962 1.00 0.00 H new ATOM 0 HB VAL A 33 6.450 -1.621 -3.544 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.603 -3.852 -2.487 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.125 -2.596 -1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.905 -3.715 -1.973 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.003 -3.653 -4.861 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.272 -3.522 -4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.061 -2.260 -5.443 1.00 0.00 H new ATOM 445 N GLY A 34 5.007 0.850 -1.802 1.00 0.00 N ATOM 446 CA GLY A 34 5.604 2.166 -1.680 1.00 0.00 C ATOM 447 C GLY A 34 7.059 2.078 -1.274 1.00 0.00 C ATOM 448 O GLY A 34 7.947 2.440 -2.046 1.00 0.00 O ATOM 0 H GLY A 34 4.612 0.476 -0.939 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.521 2.694 -2.630 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.054 2.750 -0.942 1.00 0.00 H new ATOM 452 N VAL A 35 7.290 1.581 -0.061 1.00 0.00 N ATOM 453 CA VAL A 35 8.637 1.359 0.468 1.00 0.00 C ATOM 454 C VAL A 35 9.469 2.647 0.471 1.00 0.00 C ATOM 455 O VAL A 35 9.329 3.481 1.367 1.00 0.00 O ATOM 456 CB VAL A 35 9.394 0.255 -0.312 1.00 0.00 C ATOM 457 CG1 VAL A 35 10.604 -0.223 0.475 1.00 0.00 C ATOM 458 CG2 VAL A 35 8.476 -0.918 -0.622 1.00 0.00 C ATOM 0 H VAL A 35 6.547 1.319 0.586 1.00 0.00 H new ATOM 0 HA VAL A 35 8.504 1.026 1.497 1.00 0.00 H new ATOM 0 HB VAL A 35 9.735 0.685 -1.254 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.122 -0.998 -0.090 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.280 0.614 0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.278 -0.628 1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.031 -1.679 -1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.101 -1.342 0.309 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.638 -0.574 -1.228 1.00 0.00 H new ATOM 468 N ILE A 36 10.332 2.801 -0.531 1.00 0.00 N ATOM 469 CA ILE A 36 11.222 3.950 -0.614 1.00 0.00 C ATOM 470 C ILE A 36 11.343 4.434 -2.055 1.00 0.00 C ATOM 471 O ILE A 36 11.833 3.709 -2.922 1.00 0.00 O ATOM 472 CB ILE A 36 12.638 3.617 -0.079 1.00 0.00 C ATOM 473 CG1 ILE A 36 12.574 3.157 1.380 1.00 0.00 C ATOM 474 CG2 ILE A 36 13.558 4.825 -0.211 1.00 0.00 C ATOM 475 CD1 ILE A 36 13.835 2.467 1.860 1.00 0.00 C ATOM 0 H ILE A 36 10.432 2.138 -1.300 1.00 0.00 H new ATOM 0 HA ILE A 36 10.786 4.734 0.006 1.00 0.00 H new ATOM 0 HB ILE A 36 13.043 2.802 -0.679 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.380 4.021 2.015 1.00 0.00 H new ATOM 0 HG13 ILE A 36 11.731 2.477 1.500 1.00 0.00 H new ATOM 0 HG21 ILE A 36 14.548 4.572 0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.635 5.111 -1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.150 5.657 0.363 1.00 0.00 H new ATOM 0 HD11 ILE A 36 13.713 2.170 2.902 1.00 0.00 H new ATOM 0 HD12 ILE A 36 14.021 1.583 1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 36 14.679 3.151 1.774 1.00 0.00 H new ATOM 487 N GLY A 37 10.884 5.654 -2.307 1.00 0.00 N ATOM 488 CA GLY A 37 11.036 6.251 -3.621 1.00 0.00 C ATOM 489 C GLY A 37 9.960 5.826 -4.603 1.00 0.00 C ATOM 490 O GLY A 37 10.264 5.421 -5.724 1.00 0.00 O ATOM 0 H GLY A 37 10.408 6.242 -1.623 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.020 7.336 -3.523 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.012 5.982 -4.024 1.00 0.00 H new ATOM 494 N SER A 38 8.706 5.914 -4.187 1.00 0.00 N ATOM 495 CA SER A 38 7.590 5.607 -5.069 1.00 0.00 C ATOM 496 C SER A 38 6.672 6.816 -5.206 1.00 0.00 C ATOM 497 O SER A 38 6.312 7.455 -4.211 1.00 0.00 O ATOM 498 CB SER A 38 6.812 4.397 -4.545 1.00 0.00 C ATOM 499 OG SER A 38 7.596 3.216 -4.613 1.00 0.00 O ATOM 0 H SER A 38 8.435 6.195 -3.245 1.00 0.00 H new ATOM 0 HA SER A 38 7.985 5.361 -6.055 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.507 4.576 -3.514 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.901 4.266 -5.129 1.00 0.00 H new ATOM 0 HG SER A 38 7.816 2.917 -3.706 1.00 0.00 H new ATOM 505 N GLN A 39 6.299 7.131 -6.439 1.00 0.00 N ATOM 506 CA GLN A 39 5.445 8.279 -6.712 1.00 0.00 C ATOM 507 C GLN A 39 3.989 7.945 -6.425 1.00 0.00 C ATOM 508 O GLN A 39 3.211 7.660 -7.334 1.00 0.00 O ATOM 509 CB GLN A 39 5.600 8.732 -8.164 1.00 0.00 C ATOM 510 CG GLN A 39 6.242 10.102 -8.306 1.00 0.00 C ATOM 511 CD GLN A 39 5.957 10.746 -9.650 1.00 0.00 C ATOM 512 OE1 GLN A 39 5.473 11.877 -9.720 1.00 0.00 O ATOM 513 NE2 GLN A 39 6.248 10.031 -10.723 1.00 0.00 N ATOM 0 H GLN A 39 6.575 6.606 -7.268 1.00 0.00 H new ATOM 0 HA GLN A 39 5.753 9.093 -6.056 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.202 8.000 -8.702 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.619 8.748 -8.638 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.878 10.753 -7.511 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.320 10.009 -8.174 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.648 9.098 -10.621 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.073 10.412 -11.653 1.00 0.00 H new ATOM 522 N CYS A 40 3.639 7.964 -5.149 1.00 0.00 N ATOM 523 CA CYS A 40 2.278 7.688 -4.717 1.00 0.00 C ATOM 524 C CYS A 40 1.307 8.710 -5.291 1.00 0.00 C ATOM 525 O CYS A 40 1.626 9.896 -5.382 1.00 0.00 O ATOM 526 CB CYS A 40 2.202 7.700 -3.190 1.00 0.00 C ATOM 527 SG CYS A 40 1.872 6.071 -2.455 1.00 0.00 S ATOM 0 H CYS A 40 4.286 8.170 -4.388 1.00 0.00 H new ATOM 0 HA CYS A 40 1.996 6.702 -5.085 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.142 8.083 -2.792 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.419 8.392 -2.881 1.00 0.00 H new ATOM 532 N GLY A 41 0.134 8.238 -5.697 1.00 0.00 N ATOM 533 CA GLY A 41 -0.898 9.126 -6.194 1.00 0.00 C ATOM 534 C GLY A 41 -2.164 9.024 -5.369 1.00 0.00 C ATOM 535 O GLY A 41 -3.191 9.613 -5.706 1.00 0.00 O ATOM 0 H GLY A 41 -0.121 7.250 -5.690 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.534 10.153 -6.178 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.119 8.883 -7.233 1.00 0.00 H new ATOM 539 N ALA A 42 -2.082 8.277 -4.278 1.00 0.00 N ATOM 540 CA ALA A 42 -3.231 8.045 -3.420 1.00 0.00 C ATOM 541 C ALA A 42 -2.866 8.307 -1.963 1.00 0.00 C ATOM 542 O ALA A 42 -2.279 9.342 -1.644 1.00 0.00 O ATOM 543 CB ALA A 42 -3.748 6.628 -3.614 1.00 0.00 C ATOM 0 H ALA A 42 -1.226 7.819 -3.966 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.027 8.737 -3.694 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.609 6.463 -2.967 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.043 6.488 -4.654 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.962 5.916 -3.361 1.00 0.00 H new ATOM 549 N SER A 43 -3.199 7.373 -1.083 1.00 0.00 N ATOM 550 CA SER A 43 -2.896 7.517 0.330 1.00 0.00 C ATOM 551 C SER A 43 -1.830 6.513 0.757 1.00 0.00 C ATOM 552 O SER A 43 -1.968 5.313 0.523 1.00 0.00 O ATOM 553 CB SER A 43 -4.168 7.312 1.153 1.00 0.00 C ATOM 554 OG SER A 43 -5.322 7.615 0.384 1.00 0.00 O ATOM 0 H SER A 43 -3.680 6.507 -1.325 1.00 0.00 H new ATOM 0 HA SER A 43 -2.511 8.522 0.504 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.219 6.280 1.501 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.139 7.946 2.039 1.00 0.00 H new ATOM 0 HG SER A 43 -6.124 7.475 0.929 1.00 0.00 H new ATOM 560 N VAL A 44 -0.765 7.005 1.368 1.00 0.00 N ATOM 561 CA VAL A 44 0.295 6.137 1.858 1.00 0.00 C ATOM 562 C VAL A 44 -0.082 5.576 3.219 1.00 0.00 C ATOM 563 O VAL A 44 -0.140 6.305 4.209 1.00 0.00 O ATOM 564 CB VAL A 44 1.648 6.869 1.966 1.00 0.00 C ATOM 565 CG1 VAL A 44 2.795 5.873 1.888 1.00 0.00 C ATOM 566 CG2 VAL A 44 1.783 7.924 0.877 1.00 0.00 C ATOM 0 H VAL A 44 -0.611 7.999 1.537 1.00 0.00 H new ATOM 0 HA VAL A 44 0.409 5.330 1.135 1.00 0.00 H new ATOM 0 HB VAL A 44 1.688 7.373 2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.744 6.404 1.966 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.712 5.157 2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.753 5.343 0.936 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.745 8.426 0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.720 7.447 -0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.981 8.655 0.977 1.00 0.00 H new ATOM 576 N LYS A 45 -0.359 4.285 3.258 1.00 0.00 N ATOM 577 CA LYS A 45 -0.785 3.638 4.484 1.00 0.00 C ATOM 578 C LYS A 45 0.209 2.567 4.900 1.00 0.00 C ATOM 579 O LYS A 45 0.928 2.015 4.067 1.00 0.00 O ATOM 580 CB LYS A 45 -2.179 3.030 4.307 1.00 0.00 C ATOM 581 CG LYS A 45 -3.284 4.069 4.188 1.00 0.00 C ATOM 582 CD LYS A 45 -3.622 4.682 5.537 1.00 0.00 C ATOM 583 CE LYS A 45 -3.185 6.136 5.612 1.00 0.00 C ATOM 584 NZ LYS A 45 -3.886 6.872 6.694 1.00 0.00 N ATOM 0 H LYS A 45 -0.296 3.663 2.452 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.828 4.390 5.272 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.183 2.403 3.415 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.393 2.379 5.155 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.974 4.854 3.498 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.175 3.606 3.764 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.696 4.614 5.710 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.135 4.113 6.329 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.109 6.183 5.780 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.380 6.623 4.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.523 7.845 6.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.906 6.893 6.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.721 6.394 7.603 1.00 0.00 H new ATOM 598 N CYS A 46 0.253 2.290 6.189 1.00 0.00 N ATOM 599 CA CYS A 46 1.153 1.284 6.724 1.00 0.00 C ATOM 600 C CYS A 46 0.419 -0.036 6.901 1.00 0.00 C ATOM 601 O CYS A 46 -0.451 -0.166 7.763 1.00 0.00 O ATOM 602 CB CYS A 46 1.733 1.755 8.058 1.00 0.00 C ATOM 603 SG CYS A 46 1.448 3.524 8.409 1.00 0.00 S ATOM 0 H CYS A 46 -0.328 2.750 6.890 1.00 0.00 H new ATOM 0 HA CYS A 46 1.972 1.133 6.021 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.298 1.161 8.862 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.806 1.562 8.064 1.00 0.00 H new ATOM 608 N CYS A 47 0.758 -1.008 6.077 1.00 0.00 N ATOM 609 CA CYS A 47 0.090 -2.296 6.115 1.00 0.00 C ATOM 610 C CYS A 47 1.031 -3.387 6.586 1.00 0.00 C ATOM 611 O CYS A 47 2.168 -3.490 6.122 1.00 0.00 O ATOM 612 CB CYS A 47 -0.464 -2.648 4.733 1.00 0.00 C ATOM 613 SG CYS A 47 -1.097 -1.216 3.795 1.00 0.00 S ATOM 0 H CYS A 47 1.492 -0.931 5.373 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.734 -2.224 6.824 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.321 -3.131 4.151 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.267 -3.375 4.850 1.00 0.00 H new ATOM 618 N LYS A 48 0.554 -4.193 7.522 1.00 0.00 N ATOM 619 CA LYS A 48 1.276 -5.373 7.962 1.00 0.00 C ATOM 620 C LYS A 48 1.054 -6.508 6.965 1.00 0.00 C ATOM 621 O LYS A 48 0.685 -7.625 7.332 1.00 0.00 O ATOM 622 CB LYS A 48 0.808 -5.784 9.359 1.00 0.00 C ATOM 623 CG LYS A 48 1.804 -6.648 10.115 1.00 0.00 C ATOM 624 CD LYS A 48 2.853 -5.802 10.816 1.00 0.00 C ATOM 625 CE LYS A 48 3.894 -6.661 11.521 1.00 0.00 C ATOM 626 NZ LYS A 48 4.431 -7.736 10.645 1.00 0.00 N ATOM 0 H LYS A 48 -0.338 -4.048 7.994 1.00 0.00 H new ATOM 0 HA LYS A 48 2.342 -5.149 8.010 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.606 -4.886 9.942 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.134 -6.326 9.271 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.276 -7.257 10.849 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.291 -7.334 9.423 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.346 -5.158 10.088 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.368 -5.150 11.542 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.714 -6.028 11.859 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.450 -7.109 12.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.045 -8.364 11.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.643 -8.286 10.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.982 -7.311 9.872 1.00 0.00 H new ATOM 640 N ASP A 49 1.259 -6.194 5.696 1.00 0.00 N ATOM 641 CA ASP A 49 1.091 -7.156 4.622 1.00 0.00 C ATOM 642 C ASP A 49 2.451 -7.516 4.058 1.00 0.00 C ATOM 643 O ASP A 49 3.000 -6.793 3.224 1.00 0.00 O ATOM 644 CB ASP A 49 0.205 -6.592 3.509 1.00 0.00 C ATOM 645 CG ASP A 49 -0.503 -7.685 2.732 1.00 0.00 C ATOM 646 OD1 ASP A 49 0.116 -8.289 1.831 1.00 0.00 O ATOM 647 OD2 ASP A 49 -1.688 -7.954 3.022 1.00 0.00 O ATOM 0 H ASP A 49 1.546 -5.267 5.383 1.00 0.00 H new ATOM 0 HA ASP A 49 0.605 -8.045 5.025 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.535 -5.919 3.942 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.815 -6.000 2.827 1.00 0.00 H new ATOM 652 N ASP A 50 3.004 -8.617 4.530 1.00 0.00 N ATOM 653 CA ASP A 50 4.347 -9.019 4.145 1.00 0.00 C ATOM 654 C ASP A 50 4.342 -9.669 2.771 1.00 0.00 C ATOM 655 O ASP A 50 4.322 -10.897 2.653 1.00 0.00 O ATOM 656 CB ASP A 50 4.938 -9.976 5.179 1.00 0.00 C ATOM 657 CG ASP A 50 5.928 -9.288 6.096 1.00 0.00 C ATOM 658 OD1 ASP A 50 7.046 -8.967 5.641 1.00 0.00 O ATOM 659 OD2 ASP A 50 5.589 -9.064 7.277 1.00 0.00 O ATOM 0 H ASP A 50 2.544 -9.252 5.183 1.00 0.00 H new ATOM 0 HA ASP A 50 4.969 -8.125 4.102 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.133 -10.407 5.774 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.433 -10.801 4.667 1.00 0.00 H new ATOM 664 N VAL A 51 4.344 -8.835 1.737 1.00 0.00 N ATOM 665 CA VAL A 51 4.379 -9.312 0.362 1.00 0.00 C ATOM 666 C VAL A 51 5.616 -10.173 0.128 1.00 0.00 C ATOM 667 O VAL A 51 6.749 -9.728 0.315 1.00 0.00 O ATOM 668 CB VAL A 51 4.361 -8.149 -0.659 1.00 0.00 C ATOM 669 CG1 VAL A 51 2.943 -7.637 -0.857 1.00 0.00 C ATOM 670 CG2 VAL A 51 5.283 -7.018 -0.226 1.00 0.00 C ATOM 0 H VAL A 51 4.322 -7.819 1.828 1.00 0.00 H new ATOM 0 HA VAL A 51 3.480 -9.909 0.210 1.00 0.00 H new ATOM 0 HB VAL A 51 4.729 -8.533 -1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 51 2.949 -6.819 -1.578 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.313 -8.445 -1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.549 -7.279 0.094 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.248 -6.217 -0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.959 -6.635 0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.304 -7.392 -0.145 1.00 0.00 H new ATOM 680 N THR A 52 5.392 -11.411 -0.266 1.00 0.00 N ATOM 681 CA THR A 52 6.473 -12.360 -0.451 1.00 0.00 C ATOM 682 C THR A 52 6.846 -12.472 -1.924 1.00 0.00 C ATOM 683 O THR A 52 7.559 -13.386 -2.335 1.00 0.00 O ATOM 684 CB THR A 52 6.071 -13.735 0.103 1.00 0.00 C ATOM 685 OG1 THR A 52 4.705 -13.691 0.540 1.00 0.00 O ATOM 686 CG2 THR A 52 6.958 -14.124 1.272 1.00 0.00 C ATOM 0 H THR A 52 4.464 -11.786 -0.466 1.00 0.00 H new ATOM 0 HA THR A 52 7.345 -12.001 0.096 1.00 0.00 H new ATOM 0 HB THR A 52 6.188 -14.476 -0.687 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.446 -14.568 0.892 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.656 -15.101 1.649 1.00 0.00 H new ATOM 0 HG22 THR A 52 7.996 -14.168 0.942 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.860 -13.383 2.065 1.00 0.00 H new ATOM 694 N ASN A 53 6.351 -11.527 -2.712 1.00 0.00 N ATOM 695 CA ASN A 53 6.659 -11.464 -4.132 1.00 0.00 C ATOM 696 C ASN A 53 6.382 -10.061 -4.658 1.00 0.00 C ATOM 697 O ASN A 53 5.790 -9.238 -3.958 1.00 0.00 O ATOM 698 CB ASN A 53 5.835 -12.495 -4.917 1.00 0.00 C ATOM 699 CG ASN A 53 6.521 -12.940 -6.195 1.00 0.00 C ATOM 700 OD1 ASN A 53 7.520 -12.357 -6.621 1.00 0.00 O ATOM 701 ND2 ASN A 53 5.989 -13.976 -6.816 1.00 0.00 N ATOM 0 H ASN A 53 5.729 -10.787 -2.386 1.00 0.00 H new ATOM 0 HA ASN A 53 7.715 -11.698 -4.268 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.652 -13.365 -4.286 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.862 -12.067 -5.161 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.405 -14.321 -7.681 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.162 -14.432 -6.431 1.00 0.00 H new ATOM 708 N THR A 54 6.814 -9.794 -5.879 1.00 0.00 N ATOM 709 CA THR A 54 6.598 -8.502 -6.502 1.00 0.00 C ATOM 710 C THR A 54 5.174 -8.392 -7.038 1.00 0.00 C ATOM 711 O THR A 54 4.626 -7.295 -7.161 1.00 0.00 O ATOM 712 CB THR A 54 7.599 -8.292 -7.647 1.00 0.00 C ATOM 713 OG1 THR A 54 8.563 -9.358 -7.635 1.00 0.00 O ATOM 714 CG2 THR A 54 8.312 -6.953 -7.514 1.00 0.00 C ATOM 0 H THR A 54 7.320 -10.461 -6.461 1.00 0.00 H new ATOM 0 HA THR A 54 6.748 -7.731 -5.747 1.00 0.00 H new ATOM 0 HB THR A 54 7.053 -8.293 -8.590 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.203 -9.229 -8.366 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.015 -6.831 -8.338 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.579 -6.146 -7.540 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.853 -6.921 -6.568 1.00 0.00 H new ATOM 722 N GLY A 55 4.584 -9.542 -7.353 1.00 0.00 N ATOM 723 CA GLY A 55 3.207 -9.580 -7.800 1.00 0.00 C ATOM 724 C GLY A 55 3.042 -9.116 -9.232 1.00 0.00 C ATOM 725 O GLY A 55 3.990 -9.154 -10.023 1.00 0.00 O ATOM 0 H GLY A 55 5.041 -10.453 -7.305 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.827 -10.597 -7.707 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.600 -8.952 -7.147 1.00 0.00 H new ATOM 729 N ASN A 56 1.834 -8.688 -9.564 1.00 0.00 N ATOM 730 CA ASN A 56 1.528 -8.184 -10.894 1.00 0.00 C ATOM 731 C ASN A 56 1.757 -6.677 -10.951 1.00 0.00 C ATOM 732 O ASN A 56 2.682 -6.161 -10.324 1.00 0.00 O ATOM 733 CB ASN A 56 0.076 -8.519 -11.249 1.00 0.00 C ATOM 734 CG ASN A 56 -0.072 -9.082 -12.648 1.00 0.00 C ATOM 735 OD1 ASN A 56 0.351 -8.467 -13.627 1.00 0.00 O ATOM 736 ND2 ASN A 56 -0.685 -10.250 -12.754 1.00 0.00 N ATOM 0 H ASN A 56 1.041 -8.680 -8.922 1.00 0.00 H new ATOM 0 HA ASN A 56 2.188 -8.659 -11.619 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.312 -9.240 -10.529 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.532 -7.619 -11.158 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.822 -10.673 -13.672 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.021 -10.727 -11.918 1.00 0.00 H new ATOM 743 N SER A 57 0.922 -5.971 -11.700 1.00 0.00 N ATOM 744 CA SER A 57 0.991 -4.521 -11.758 1.00 0.00 C ATOM 745 C SER A 57 0.327 -3.913 -10.527 1.00 0.00 C ATOM 746 O SER A 57 0.664 -2.806 -10.102 1.00 0.00 O ATOM 747 CB SER A 57 0.292 -4.022 -13.021 1.00 0.00 C ATOM 748 OG SER A 57 -0.030 -5.108 -13.881 1.00 0.00 O ATOM 0 H SER A 57 0.188 -6.382 -12.277 1.00 0.00 H new ATOM 0 HA SER A 57 2.038 -4.218 -11.780 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.617 -3.484 -12.751 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.937 -3.316 -13.545 1.00 0.00 H new ATOM 0 HG SER A 57 -0.478 -4.768 -14.683 1.00 0.00 H new ATOM 754 N PHE A 58 -0.606 -4.660 -9.953 1.00 0.00 N ATOM 755 CA PHE A 58 -1.382 -4.178 -8.827 1.00 0.00 C ATOM 756 C PHE A 58 -1.436 -5.208 -7.711 1.00 0.00 C ATOM 757 O PHE A 58 -1.390 -6.413 -7.958 1.00 0.00 O ATOM 758 CB PHE A 58 -2.800 -3.834 -9.277 1.00 0.00 C ATOM 759 CG PHE A 58 -3.396 -2.679 -8.532 1.00 0.00 C ATOM 760 CD1 PHE A 58 -2.876 -1.405 -8.681 1.00 0.00 C ATOM 761 CD2 PHE A 58 -4.473 -2.867 -7.685 1.00 0.00 C ATOM 762 CE1 PHE A 58 -3.421 -0.337 -7.998 1.00 0.00 C ATOM 763 CE2 PHE A 58 -5.023 -1.803 -6.998 1.00 0.00 C ATOM 764 CZ PHE A 58 -4.497 -0.535 -7.153 1.00 0.00 C ATOM 0 H PHE A 58 -0.842 -5.606 -10.253 1.00 0.00 H new ATOM 0 HA PHE A 58 -0.893 -3.283 -8.443 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.789 -3.603 -10.342 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.437 -4.709 -9.147 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.035 -1.245 -9.339 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.888 -3.856 -7.560 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.007 0.653 -8.123 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.864 -1.962 -6.340 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.925 0.299 -6.616 1.00 0.00 H new ATOM 774 N LEU A 59 -1.542 -4.715 -6.489 1.00 0.00 N ATOM 775 CA LEU A 59 -1.660 -5.561 -5.315 1.00 0.00 C ATOM 776 C LEU A 59 -2.853 -5.100 -4.489 1.00 0.00 C ATOM 777 O LEU A 59 -3.126 -3.902 -4.397 1.00 0.00 O ATOM 778 CB LEU A 59 -0.383 -5.495 -4.471 1.00 0.00 C ATOM 779 CG LEU A 59 0.668 -6.571 -4.768 1.00 0.00 C ATOM 780 CD1 LEU A 59 0.016 -7.935 -4.957 1.00 0.00 C ATOM 781 CD2 LEU A 59 1.491 -6.194 -5.993 1.00 0.00 C ATOM 0 H LEU A 59 -1.549 -3.716 -6.283 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.806 -6.594 -5.632 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.075 -4.517 -4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.661 -5.565 -3.419 1.00 0.00 H new ATOM 0 HG LEU A 59 1.337 -6.634 -3.910 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.784 -8.680 -5.166 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.519 -8.211 -4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.684 -7.891 -5.791 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.231 -6.970 -6.187 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.834 -6.095 -6.857 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.998 -5.246 -5.813 1.00 0.00 H new ATOM 793 N ILE A 60 -3.572 -6.039 -3.901 1.00 0.00 N ATOM 794 CA ILE A 60 -4.732 -5.699 -3.093 1.00 0.00 C ATOM 795 C ILE A 60 -4.548 -6.197 -1.667 1.00 0.00 C ATOM 796 O ILE A 60 -4.613 -7.397 -1.402 1.00 0.00 O ATOM 797 CB ILE A 60 -6.040 -6.272 -3.689 1.00 0.00 C ATOM 798 CG1 ILE A 60 -6.332 -5.624 -5.047 1.00 0.00 C ATOM 799 CG2 ILE A 60 -7.212 -6.047 -2.740 1.00 0.00 C ATOM 800 CD1 ILE A 60 -6.152 -6.561 -6.222 1.00 0.00 C ATOM 0 H ILE A 60 -3.376 -7.038 -3.966 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.818 -4.612 -3.089 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.910 -7.345 -3.828 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.355 -5.248 -5.047 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.676 -4.763 -5.177 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.121 -6.458 -3.180 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.012 -6.544 -1.791 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.343 -4.978 -2.570 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.377 -6.031 -7.148 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.122 -6.918 -6.249 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.827 -7.410 -6.117 1.00 0.00 H new ATOM 812 N ILE A 61 -4.292 -5.265 -0.763 1.00 0.00 N ATOM 813 CA ILE A 61 -4.107 -5.583 0.644 1.00 0.00 C ATOM 814 C ILE A 61 -5.419 -5.374 1.399 1.00 0.00 C ATOM 815 O ILE A 61 -6.200 -4.486 1.053 1.00 0.00 O ATOM 816 CB ILE A 61 -2.974 -4.717 1.251 1.00 0.00 C ATOM 817 CG1 ILE A 61 -1.624 -5.180 0.701 1.00 0.00 C ATOM 818 CG2 ILE A 61 -2.973 -4.777 2.773 1.00 0.00 C ATOM 819 CD1 ILE A 61 -0.742 -4.054 0.218 1.00 0.00 C ATOM 0 H ILE A 61 -4.207 -4.272 -0.982 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.815 -6.629 0.738 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.149 -3.680 0.965 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.097 -5.734 1.478 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.796 -5.872 -0.123 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.165 -4.157 3.161 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.926 -4.409 3.152 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.827 -5.808 3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.197 -4.462 -0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.248 -3.513 -0.582 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.537 -3.372 1.044 1.00 0.00 H new ATOM 831 N ASN A 62 -5.666 -6.202 2.408 1.00 0.00 N ATOM 832 CA ASN A 62 -6.922 -6.155 3.148 1.00 0.00 C ATOM 833 C ASN A 62 -6.906 -5.055 4.200 1.00 0.00 C ATOM 834 O ASN A 62 -5.869 -4.772 4.806 1.00 0.00 O ATOM 835 CB ASN A 62 -7.198 -7.501 3.826 1.00 0.00 C ATOM 836 CG ASN A 62 -8.676 -7.842 3.861 1.00 0.00 C ATOM 837 OD1 ASN A 62 -9.536 -6.960 3.893 1.00 0.00 O ATOM 838 ND2 ASN A 62 -8.987 -9.127 3.859 1.00 0.00 N ATOM 0 H ASN A 62 -5.012 -6.915 2.733 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.714 -5.940 2.431 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -6.659 -8.288 3.297 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.810 -7.478 4.844 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -9.965 -9.415 3.884 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -8.249 -9.830 3.832 1.00 0.00 H new ATOM 845 N ALA A 63 -8.062 -4.438 4.417 1.00 0.00 N ATOM 846 CA ALA A 63 -8.218 -3.441 5.468 1.00 0.00 C ATOM 847 C ALA A 63 -8.308 -4.118 6.835 1.00 0.00 C ATOM 848 O ALA A 63 -9.325 -4.034 7.527 1.00 0.00 O ATOM 849 CB ALA A 63 -9.450 -2.586 5.208 1.00 0.00 C ATOM 0 H ALA A 63 -8.909 -4.612 3.876 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.343 -2.791 5.465 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.553 -1.846 6.001 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.345 -2.078 4.249 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.336 -3.221 5.187 1.00 0.00 H new ATOM 855 N ALA A 64 -7.240 -4.813 7.198 1.00 0.00 N ATOM 856 CA ALA A 64 -7.161 -5.510 8.470 1.00 0.00 C ATOM 857 C ALA A 64 -5.739 -5.442 9.005 1.00 0.00 C ATOM 858 O ALA A 64 -5.498 -4.930 10.097 1.00 0.00 O ATOM 859 CB ALA A 64 -7.610 -6.954 8.314 1.00 0.00 C ATOM 0 H ALA A 64 -6.406 -4.909 6.619 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.828 -5.026 9.184 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.544 -7.461 9.276 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.641 -6.978 7.960 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.967 -7.459 7.593 1.00 0.00 H new ATOM 865 N ASN A 65 -4.798 -5.951 8.221 1.00 0.00 N ATOM 866 CA ASN A 65 -3.386 -5.866 8.570 1.00 0.00 C ATOM 867 C ASN A 65 -2.846 -4.483 8.232 1.00 0.00 C ATOM 868 O ASN A 65 -1.919 -3.988 8.872 1.00 0.00 O ATOM 869 CB ASN A 65 -2.569 -6.957 7.861 1.00 0.00 C ATOM 870 CG ASN A 65 -2.751 -6.984 6.351 1.00 0.00 C ATOM 871 OD1 ASN A 65 -3.537 -6.227 5.783 1.00 0.00 O ATOM 872 ND2 ASN A 65 -2.030 -7.877 5.694 1.00 0.00 N ATOM 0 H ASN A 65 -4.987 -6.427 7.339 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.290 -6.029 9.643 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.513 -6.810 8.087 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.850 -7.929 8.268 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.115 -7.955 4.681 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.389 -8.487 6.201 1.00 0.00 H new ATOM 879 N CYS A 66 -3.416 -3.872 7.209 1.00 0.00 N ATOM 880 CA CYS A 66 -3.141 -2.477 6.912 1.00 0.00 C ATOM 881 C CYS A 66 -3.947 -1.578 7.843 1.00 0.00 C ATOM 882 O CYS A 66 -5.153 -1.768 8.009 1.00 0.00 O ATOM 883 CB CYS A 66 -3.478 -2.156 5.455 1.00 0.00 C ATOM 884 SG CYS A 66 -2.726 -0.610 4.849 1.00 0.00 S ATOM 0 H CYS A 66 -4.072 -4.320 6.569 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.078 -2.295 7.068 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -3.147 -2.981 4.825 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.561 -2.088 5.349 1.00 0.00 H new ATOM 889 N VAL A 67 -3.276 -0.617 8.466 1.00 0.00 N ATOM 890 CA VAL A 67 -3.943 0.313 9.367 1.00 0.00 C ATOM 891 C VAL A 67 -4.207 1.634 8.657 1.00 0.00 C ATOM 892 O VAL A 67 -3.849 1.801 7.489 1.00 0.00 O ATOM 893 CB VAL A 67 -3.119 0.566 10.651 1.00 0.00 C ATOM 894 CG1 VAL A 67 -3.085 -0.684 11.519 1.00 0.00 C ATOM 895 CG2 VAL A 67 -1.709 1.032 10.313 1.00 0.00 C ATOM 0 H VAL A 67 -2.273 -0.462 8.364 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.889 -0.141 9.662 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.606 1.361 11.216 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.501 -0.487 12.418 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.101 -0.960 11.800 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.628 -1.502 10.962 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.152 1.202 11.234 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.206 0.268 9.720 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.759 1.959 9.742 1.00 0.00 H new ATOM 905 N ALA A 68 -4.832 2.568 9.353 1.00 0.00 N ATOM 906 CA ALA A 68 -5.174 3.850 8.763 1.00 0.00 C ATOM 907 C ALA A 68 -4.473 4.983 9.499 1.00 0.00 C ATOM 908 O ALA A 68 -4.901 5.318 10.622 1.00 0.00 O ATOM 909 CB ALA A 68 -6.682 4.047 8.779 1.00 0.00 C ATOM 910 OXT ALA A 68 -3.483 5.524 8.960 1.00 0.00 O ATOM 0 H ALA A 68 -5.113 2.462 10.328 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.834 3.860 7.727 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.928 5.011 8.334 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.159 3.251 8.207 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.042 4.020 9.808 1.00 0.00 H new