USER MOD reduce.3.24.130724 H: found=0, std=0, add=286, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 284 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 25 THR OG1 : rot 125:sc= -0.971 USER MOD Set 1.2: A 31 THR OG1 : rot 180:sc= 0.547 USER MOD Set 2.1: A 24 LYS NZ :NH3+ 171:sc= 1.22 (180deg=0) USER MOD Set 2.2: A 36 ASN : amide:sc= 1.35 K(o=2.6,f=-5) USER MOD Set 3.1: A 9 ASN : amide:sc= 0.589 K(o=1.8,f=-1.6) USER MOD Set 3.2: A 10 SER OG : rot 62:sc= 1.22 USER MOD Single : A 1 LEU N :NH3+ 127:sc= 0.191 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0.843 K(o=0.84,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.132 USER MOD Single : A 16 THR OG1 : rot 15:sc= 0.6 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0.19) USER MOD Single : A 22 LYS NZ :NH3+ 171:sc= 0.875 (180deg=0.814) USER MOD Single : A 27 GLN : amide:sc= 0.974 K(o=0.97,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot -53:sc= 1.22 USER MOD Single : A 34 THR OG1 : rot 140:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 32.779 32.457 31.448 1.00 0.00 N ATOM 2 CA LEU A 1 33.665 31.630 30.590 1.00 0.00 C ATOM 3 C LEU A 1 32.807 30.615 29.837 1.00 0.00 C ATOM 4 O LEU A 1 31.636 30.489 30.178 1.00 0.00 O ATOM 5 CB LEU A 1 34.798 30.961 31.404 1.00 0.00 C ATOM 6 CG LEU A 1 36.152 31.665 31.316 1.00 0.00 C ATOM 7 CD1 LEU A 1 36.683 31.509 29.899 1.00 0.00 C ATOM 8 CD2 LEU A 1 36.055 33.116 31.764 1.00 0.00 C ATOM 0 H1 LEU A 1 33.131 32.442 32.427 1.00 0.00 H new ATOM 0 H2 LEU A 1 32.772 33.436 31.098 1.00 0.00 H new ATOM 0 H3 LEU A 1 31.813 32.073 31.422 1.00 0.00 H new ATOM 0 HA LEU A 1 34.170 32.270 29.866 1.00 0.00 H new ATOM 0 HB2 LEU A 1 34.496 30.914 32.450 1.00 0.00 H new ATOM 0 HB3 LEU A 1 34.915 29.933 31.060 1.00 0.00 H new ATOM 0 HG LEU A 1 36.862 31.203 32.002 1.00 0.00 H new ATOM 0 HD11 LEU A 1 37.650 32.005 29.816 1.00 0.00 H new ATOM 0 HD12 LEU A 1 36.798 30.450 29.668 1.00 0.00 H new ATOM 0 HD13 LEU A 1 35.982 31.960 29.196 1.00 0.00 H new ATOM 0 HD21 LEU A 1 37.035 33.586 31.689 1.00 0.00 H new ATOM 0 HD22 LEU A 1 35.348 33.647 31.127 1.00 0.00 H new ATOM 0 HD23 LEU A 1 35.712 33.155 32.798 1.00 0.00 H new ATOM 20 N CYS A 2 33.369 29.919 28.844 1.00 0.00 N ATOM 21 CA CYS A 2 32.652 28.996 27.951 1.00 0.00 C ATOM 22 C CYS A 2 31.681 28.016 28.648 1.00 0.00 C ATOM 23 O CYS A 2 32.095 27.037 29.269 1.00 0.00 O ATOM 24 CB CYS A 2 33.662 28.270 27.059 1.00 0.00 C ATOM 25 SG CYS A 2 32.909 27.531 25.588 1.00 0.00 S ATOM 0 H CYS A 2 34.364 29.982 28.631 1.00 0.00 H new ATOM 0 HA CYS A 2 31.988 29.611 27.343 1.00 0.00 H new ATOM 0 HB2 CYS A 2 34.435 28.973 26.750 1.00 0.00 H new ATOM 0 HB3 CYS A 2 34.154 27.489 27.639 1.00 0.00 H new ATOM 30 N ASN A 3 30.388 28.330 28.555 1.00 0.00 N ATOM 31 CA ASN A 3 29.221 27.562 29.018 1.00 0.00 C ATOM 32 C ASN A 3 28.031 27.612 28.024 1.00 0.00 C ATOM 33 O ASN A 3 27.047 26.889 28.196 1.00 0.00 O ATOM 34 CB ASN A 3 28.779 28.114 30.395 1.00 0.00 C ATOM 35 CG ASN A 3 28.047 29.447 30.287 1.00 0.00 C ATOM 36 OD1 ASN A 3 26.824 29.527 30.349 1.00 0.00 O ATOM 37 ND2 ASN A 3 28.774 30.518 30.089 1.00 0.00 N ATOM 0 H ASN A 3 30.101 29.205 28.116 1.00 0.00 H new ATOM 0 HA ASN A 3 29.519 26.516 29.094 1.00 0.00 H new ATOM 0 HB2 ASN A 3 28.130 27.386 30.882 1.00 0.00 H new ATOM 0 HB3 ASN A 3 29.656 28.236 31.031 1.00 0.00 H new ATOM 0 HD21 ASN A 3 28.324 31.428 29.985 1.00 0.00 H new ATOM 0 HD22 ASN A 3 29.790 30.443 30.039 1.00 0.00 H new ATOM 44 N GLU A 4 28.122 28.484 27.019 1.00 0.00 N ATOM 45 CA GLU A 4 27.143 28.857 26.002 1.00 0.00 C ATOM 46 C GLU A 4 26.656 27.696 25.094 1.00 0.00 C ATOM 47 O GLU A 4 27.311 26.652 24.985 1.00 0.00 O ATOM 48 CB GLU A 4 27.788 29.997 25.178 1.00 0.00 C ATOM 49 CG GLU A 4 27.871 31.370 25.897 1.00 0.00 C ATOM 50 CD GLU A 4 28.875 31.488 27.067 1.00 0.00 C ATOM 51 OE1 GLU A 4 29.835 30.689 27.138 1.00 0.00 O ATOM 52 OE2 GLU A 4 28.686 32.379 27.936 1.00 0.00 O ATOM 0 H GLU A 4 28.988 29.006 26.885 1.00 0.00 H new ATOM 0 HA GLU A 4 26.227 29.173 26.501 1.00 0.00 H new ATOM 0 HB2 GLU A 4 28.795 29.693 24.894 1.00 0.00 H new ATOM 0 HB3 GLU A 4 27.221 30.122 24.256 1.00 0.00 H new ATOM 0 HG2 GLU A 4 28.125 32.127 25.155 1.00 0.00 H new ATOM 0 HG3 GLU A 4 26.879 31.615 26.276 1.00 0.00 H new ATOM 59 N PRO A 5 25.490 27.856 24.427 1.00 0.00 N ATOM 60 CA PRO A 5 24.969 26.872 23.476 1.00 0.00 C ATOM 61 C PRO A 5 25.726 26.889 22.140 1.00 0.00 C ATOM 62 O PRO A 5 26.266 27.920 21.729 1.00 0.00 O ATOM 63 CB PRO A 5 23.494 27.237 23.288 1.00 0.00 C ATOM 64 CG PRO A 5 23.486 28.751 23.482 1.00 0.00 C ATOM 65 CD PRO A 5 24.547 28.963 24.562 1.00 0.00 C ATOM 0 HA PRO A 5 25.095 25.857 23.854 1.00 0.00 H new ATOM 0 HB2 PRO A 5 23.132 26.955 22.299 1.00 0.00 H new ATOM 0 HB3 PRO A 5 22.858 26.734 24.016 1.00 0.00 H new ATOM 0 HG2 PRO A 5 23.736 29.278 22.561 1.00 0.00 H new ATOM 0 HG3 PRO A 5 22.508 29.112 23.800 1.00 0.00 H new ATOM 0 HD2 PRO A 5 25.050 29.921 24.431 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.096 28.972 25.554 1.00 0.00 H new ATOM 73 N CYS A 6 25.711 25.752 21.439 1.00 0.00 N ATOM 74 CA CYS A 6 26.439 25.526 20.179 1.00 0.00 C ATOM 75 C CYS A 6 25.658 24.656 19.172 1.00 0.00 C ATOM 76 O CYS A 6 24.789 23.872 19.557 1.00 0.00 O ATOM 77 CB CYS A 6 27.779 24.860 20.531 1.00 0.00 C ATOM 78 SG CYS A 6 27.609 23.306 21.462 1.00 0.00 S ATOM 0 H CYS A 6 25.177 24.936 21.738 1.00 0.00 H new ATOM 0 HA CYS A 6 26.586 26.487 19.687 1.00 0.00 H new ATOM 0 HB2 CYS A 6 28.328 24.662 19.610 1.00 0.00 H new ATOM 0 HB3 CYS A 6 28.378 25.558 21.115 1.00 0.00 H new ATOM 83 N SER A 7 25.985 24.777 17.878 1.00 0.00 N ATOM 84 CA SER A 7 25.444 23.948 16.787 1.00 0.00 C ATOM 85 C SER A 7 26.436 22.833 16.424 1.00 0.00 C ATOM 86 O SER A 7 26.028 21.717 16.103 1.00 0.00 O ATOM 87 CB SER A 7 25.160 24.815 15.553 1.00 0.00 C ATOM 88 OG SER A 7 24.189 24.206 14.711 1.00 0.00 O ATOM 0 H SER A 7 26.653 25.475 17.550 1.00 0.00 H new ATOM 0 HA SER A 7 24.512 23.496 17.125 1.00 0.00 H new ATOM 0 HB2 SER A 7 24.808 25.797 15.868 1.00 0.00 H new ATOM 0 HB3 SER A 7 26.083 24.972 14.995 1.00 0.00 H new ATOM 0 HG SER A 7 24.025 24.779 13.933 1.00 0.00 H new ATOM 94 N SER A 8 27.738 23.130 16.498 1.00 0.00 N ATOM 95 CA SER A 8 28.865 22.210 16.313 1.00 0.00 C ATOM 96 C SER A 8 30.071 22.603 17.191 1.00 0.00 C ATOM 97 O SER A 8 30.007 23.508 18.016 1.00 0.00 O ATOM 98 CB SER A 8 29.232 22.148 14.825 1.00 0.00 C ATOM 99 OG SER A 8 30.057 21.025 14.566 1.00 0.00 O ATOM 0 H SER A 8 28.052 24.079 16.701 1.00 0.00 H new ATOM 0 HA SER A 8 28.566 21.214 16.638 1.00 0.00 H new ATOM 0 HB2 SER A 8 28.326 22.088 14.223 1.00 0.00 H new ATOM 0 HB3 SER A 8 29.749 23.062 14.533 1.00 0.00 H new ATOM 0 HG SER A 8 30.282 20.997 13.613 1.00 0.00 H new ATOM 105 N ASN A 9 31.178 21.869 17.069 1.00 0.00 N ATOM 106 CA ASN A 9 32.415 22.004 17.857 1.00 0.00 C ATOM 107 C ASN A 9 33.149 23.343 17.720 1.00 0.00 C ATOM 108 O ASN A 9 33.539 23.974 18.700 1.00 0.00 O ATOM 109 CB ASN A 9 33.390 20.876 17.429 1.00 0.00 C ATOM 110 CG ASN A 9 33.435 20.577 15.935 1.00 0.00 C ATOM 111 OD1 ASN A 9 33.998 21.322 15.148 1.00 0.00 O ATOM 112 ND2 ASN A 9 32.846 19.497 15.478 1.00 0.00 N ATOM 0 H ASN A 9 31.244 21.120 16.380 1.00 0.00 H new ATOM 0 HA ASN A 9 32.105 21.941 18.900 1.00 0.00 H new ATOM 0 HB2 ASN A 9 34.394 21.144 17.758 1.00 0.00 H new ATOM 0 HB3 ASN A 9 33.115 19.963 17.956 1.00 0.00 H new ATOM 0 HD21 ASN A 9 32.863 19.291 14.479 1.00 0.00 H new ATOM 0 HD22 ASN A 9 32.371 18.864 16.122 1.00 0.00 H new ATOM 119 N SER A 10 33.382 23.743 16.479 1.00 0.00 N ATOM 120 CA SER A 10 34.192 24.897 16.103 1.00 0.00 C ATOM 121 C SER A 10 33.532 26.251 16.353 1.00 0.00 C ATOM 122 O SER A 10 34.216 27.270 16.411 1.00 0.00 O ATOM 123 CB SER A 10 34.656 24.685 14.671 1.00 0.00 C ATOM 124 OG SER A 10 35.514 23.559 14.599 1.00 0.00 O ATOM 0 H SER A 10 32.997 23.253 15.671 1.00 0.00 H new ATOM 0 HA SER A 10 35.057 24.952 16.763 1.00 0.00 H new ATOM 0 HB2 SER A 10 33.795 24.538 14.019 1.00 0.00 H new ATOM 0 HB3 SER A 10 35.178 25.573 14.314 1.00 0.00 H new ATOM 0 HG SER A 10 35.023 22.755 14.869 1.00 0.00 H new ATOM 130 N ASP A 11 32.233 26.243 16.632 1.00 0.00 N ATOM 131 CA ASP A 11 31.374 27.361 17.022 1.00 0.00 C ATOM 132 C ASP A 11 31.857 28.118 18.276 1.00 0.00 C ATOM 133 O ASP A 11 31.482 29.275 18.470 1.00 0.00 O ATOM 134 CB ASP A 11 30.006 26.763 17.393 1.00 0.00 C ATOM 135 CG ASP A 11 29.236 26.042 16.282 1.00 0.00 C ATOM 136 OD1 ASP A 11 29.859 25.392 15.413 1.00 0.00 O ATOM 137 OD2 ASP A 11 27.986 26.051 16.370 1.00 0.00 O ATOM 0 H ASP A 11 31.703 25.373 16.587 1.00 0.00 H new ATOM 0 HA ASP A 11 31.362 28.062 16.188 1.00 0.00 H new ATOM 0 HB2 ASP A 11 30.155 26.060 18.213 1.00 0.00 H new ATOM 0 HB3 ASP A 11 29.377 27.568 17.774 1.00 0.00 H new ATOM 142 N CYS A 12 32.712 27.488 19.095 1.00 0.00 N ATOM 143 CA CYS A 12 33.163 27.980 20.402 1.00 0.00 C ATOM 144 C CYS A 12 34.675 27.837 20.619 1.00 0.00 C ATOM 145 O CYS A 12 35.206 28.144 21.685 1.00 0.00 O ATOM 146 CB CYS A 12 32.425 27.176 21.480 1.00 0.00 C ATOM 147 SG CYS A 12 30.632 27.395 21.588 1.00 0.00 S ATOM 0 H CYS A 12 33.124 26.586 18.854 1.00 0.00 H new ATOM 0 HA CYS A 12 32.942 29.046 20.454 1.00 0.00 H new ATOM 0 HB2 CYS A 12 32.627 26.118 21.311 1.00 0.00 H new ATOM 0 HB3 CYS A 12 32.856 27.432 22.448 1.00 0.00 H new ATOM 152 N ILE A 13 35.392 27.349 19.611 1.00 0.00 N ATOM 153 CA ILE A 13 36.825 27.150 19.645 1.00 0.00 C ATOM 154 C ILE A 13 37.531 28.513 19.781 1.00 0.00 C ATOM 155 O ILE A 13 37.035 29.557 19.353 1.00 0.00 O ATOM 156 CB ILE A 13 37.146 26.358 18.371 1.00 0.00 C ATOM 157 CG1 ILE A 13 37.006 24.870 18.724 1.00 0.00 C ATOM 158 CG2 ILE A 13 38.522 26.634 17.840 1.00 0.00 C ATOM 159 CD1 ILE A 13 37.429 23.882 17.640 1.00 0.00 C ATOM 0 H ILE A 13 34.972 27.075 18.723 1.00 0.00 H new ATOM 0 HA ILE A 13 37.187 26.583 20.503 1.00 0.00 H new ATOM 0 HB ILE A 13 36.457 26.658 17.582 1.00 0.00 H new ATOM 0 HG12 ILE A 13 37.597 24.672 19.618 1.00 0.00 H new ATOM 0 HG13 ILE A 13 35.965 24.674 18.980 1.00 0.00 H new ATOM 0 HG21 ILE A 13 38.689 26.044 16.939 1.00 0.00 H new ATOM 0 HG22 ILE A 13 38.615 27.694 17.603 1.00 0.00 H new ATOM 0 HG23 ILE A 13 39.263 26.365 18.592 1.00 0.00 H new ATOM 0 HD11 ILE A 13 37.287 22.863 18.001 1.00 0.00 H new ATOM 0 HD12 ILE A 13 36.823 24.039 16.748 1.00 0.00 H new ATOM 0 HD13 ILE A 13 38.480 24.037 17.396 1.00 0.00 H new ATOM 171 N GLY A 14 38.724 28.500 20.369 1.00 0.00 N ATOM 172 CA GLY A 14 39.595 29.670 20.491 1.00 0.00 C ATOM 173 C GLY A 14 39.269 30.601 21.664 1.00 0.00 C ATOM 174 O GLY A 14 40.193 31.062 22.333 1.00 0.00 O ATOM 0 H GLY A 14 39.123 27.658 20.784 1.00 0.00 H new ATOM 0 HA2 GLY A 14 40.625 29.328 20.593 1.00 0.00 H new ATOM 0 HA3 GLY A 14 39.540 30.243 19.566 1.00 0.00 H new ATOM 178 N ILE A 15 37.987 30.859 21.961 1.00 0.00 N ATOM 179 CA ILE A 15 37.592 31.671 23.136 1.00 0.00 C ATOM 180 C ILE A 15 37.945 30.975 24.451 1.00 0.00 C ATOM 181 O ILE A 15 38.209 31.597 25.473 1.00 0.00 O ATOM 182 CB ILE A 15 36.138 32.189 23.050 1.00 0.00 C ATOM 183 CG1 ILE A 15 34.959 31.196 23.060 1.00 0.00 C ATOM 184 CG2 ILE A 15 36.024 32.952 21.727 1.00 0.00 C ATOM 185 CD1 ILE A 15 34.850 30.331 24.310 1.00 0.00 C ATOM 0 H ILE A 15 37.201 30.520 21.407 1.00 0.00 H new ATOM 0 HA ILE A 15 38.194 32.579 23.120 1.00 0.00 H new ATOM 0 HB ILE A 15 36.021 32.747 23.979 1.00 0.00 H new ATOM 0 HG12 ILE A 15 34.032 31.757 22.944 1.00 0.00 H new ATOM 0 HG13 ILE A 15 35.048 30.543 22.192 1.00 0.00 H new ATOM 0 HG21 ILE A 15 35.011 33.340 21.617 1.00 0.00 H new ATOM 0 HG22 ILE A 15 36.733 33.780 21.722 1.00 0.00 H new ATOM 0 HG23 ILE A 15 36.247 32.279 20.899 1.00 0.00 H new ATOM 0 HD11 ILE A 15 33.990 29.667 24.219 1.00 0.00 H new ATOM 0 HD12 ILE A 15 35.757 29.737 24.421 1.00 0.00 H new ATOM 0 HD13 ILE A 15 34.725 30.969 25.185 1.00 0.00 H new ATOM 197 N THR A 16 37.969 29.650 24.416 1.00 0.00 N ATOM 198 CA THR A 16 38.380 28.702 25.432 1.00 0.00 C ATOM 199 C THR A 16 38.673 27.380 24.695 1.00 0.00 C ATOM 200 O THR A 16 38.282 27.202 23.540 1.00 0.00 O ATOM 201 CB THR A 16 37.213 28.553 26.413 1.00 0.00 C ATOM 202 OG1 THR A 16 37.019 29.734 27.153 1.00 0.00 O ATOM 203 CG2 THR A 16 37.388 27.443 27.419 1.00 0.00 C ATOM 0 H THR A 16 37.664 29.161 23.574 1.00 0.00 H new ATOM 0 HA THR A 16 39.264 29.013 25.989 1.00 0.00 H new ATOM 0 HB THR A 16 36.359 28.322 25.776 1.00 0.00 H new ATOM 0 HG1 THR A 16 37.511 30.469 26.731 1.00 0.00 H new ATOM 0 HG21 THR A 16 36.518 27.406 28.075 1.00 0.00 H new ATOM 0 HG22 THR A 16 37.490 26.492 26.897 1.00 0.00 H new ATOM 0 HG23 THR A 16 38.283 27.628 28.013 1.00 0.00 H new ATOM 211 N LEU A 17 39.324 26.414 25.341 1.00 0.00 N ATOM 212 CA LEU A 17 39.574 25.049 24.843 1.00 0.00 C ATOM 213 C LEU A 17 38.275 24.198 24.775 1.00 0.00 C ATOM 214 O LEU A 17 38.316 22.973 24.812 1.00 0.00 O ATOM 215 CB LEU A 17 40.597 24.375 25.783 1.00 0.00 C ATOM 216 CG LEU A 17 41.849 25.179 26.132 1.00 0.00 C ATOM 217 CD1 LEU A 17 42.630 24.298 27.089 1.00 0.00 C ATOM 218 CD2 LEU A 17 42.650 25.458 24.872 1.00 0.00 C ATOM 0 H LEU A 17 39.713 26.562 26.272 1.00 0.00 H new ATOM 0 HA LEU A 17 39.960 25.114 23.826 1.00 0.00 H new ATOM 0 HB2 LEU A 17 40.087 24.120 26.712 1.00 0.00 H new ATOM 0 HB3 LEU A 17 40.912 23.438 25.325 1.00 0.00 H new ATOM 0 HG LEU A 17 41.616 26.145 26.579 1.00 0.00 H new ATOM 0 HD11 LEU A 17 43.547 24.807 27.387 1.00 0.00 H new ATOM 0 HD12 LEU A 17 42.025 24.094 27.972 1.00 0.00 H new ATOM 0 HD13 LEU A 17 42.881 23.359 26.596 1.00 0.00 H new ATOM 0 HD21 LEU A 17 43.541 26.031 25.127 1.00 0.00 H new ATOM 0 HD22 LEU A 17 42.945 24.515 24.412 1.00 0.00 H new ATOM 0 HD23 LEU A 17 42.040 26.028 24.172 1.00 0.00 H new ATOM 230 N CYS A 18 37.112 24.833 24.628 1.00 0.00 N ATOM 231 CA CYS A 18 35.770 24.259 24.689 1.00 0.00 C ATOM 232 C CYS A 18 35.269 23.745 23.333 1.00 0.00 C ATOM 233 O CYS A 18 34.120 23.924 22.941 1.00 0.00 O ATOM 234 CB CYS A 18 34.834 25.268 25.367 1.00 0.00 C ATOM 235 SG CYS A 18 34.469 26.797 24.503 1.00 0.00 S ATOM 0 H CYS A 18 37.083 25.837 24.450 1.00 0.00 H new ATOM 0 HA CYS A 18 35.793 23.356 25.299 1.00 0.00 H new ATOM 0 HB2 CYS A 18 33.888 24.764 25.566 1.00 0.00 H new ATOM 0 HB3 CYS A 18 35.267 25.527 26.333 1.00 0.00 H new ATOM 240 N GLN A 19 36.163 23.063 22.615 1.00 0.00 N ATOM 241 CA GLN A 19 35.896 22.421 21.327 1.00 0.00 C ATOM 242 C GLN A 19 34.818 21.317 21.381 1.00 0.00 C ATOM 243 O GLN A 19 34.333 20.862 20.346 1.00 0.00 O ATOM 244 CB GLN A 19 37.200 21.854 20.746 1.00 0.00 C ATOM 245 CG GLN A 19 38.265 21.307 21.690 1.00 0.00 C ATOM 246 CD GLN A 19 39.446 20.764 20.885 1.00 0.00 C ATOM 247 OE1 GLN A 19 39.601 19.571 20.677 1.00 0.00 O ATOM 248 NE2 GLN A 19 40.288 21.633 20.360 1.00 0.00 N ATOM 0 H GLN A 19 37.127 22.938 22.925 1.00 0.00 H new ATOM 0 HA GLN A 19 35.494 23.200 20.679 1.00 0.00 H new ATOM 0 HB2 GLN A 19 36.930 21.053 20.058 1.00 0.00 H new ATOM 0 HB3 GLN A 19 37.663 22.642 20.152 1.00 0.00 H new ATOM 0 HG2 GLN A 19 38.604 22.094 22.364 1.00 0.00 H new ATOM 0 HG3 GLN A 19 37.842 20.516 22.310 1.00 0.00 H new ATOM 0 HE21 GLN A 19 40.163 22.631 20.530 1.00 0.00 H new ATOM 0 HE22 GLN A 19 41.064 21.307 19.784 1.00 0.00 H new ATOM 257 N PHE A 20 34.423 20.880 22.576 1.00 0.00 N ATOM 258 CA PHE A 20 33.516 19.760 22.780 1.00 0.00 C ATOM 259 C PHE A 20 32.041 20.170 22.917 1.00 0.00 C ATOM 260 O PHE A 20 31.469 20.188 24.005 1.00 0.00 O ATOM 261 CB PHE A 20 34.071 18.909 23.928 1.00 0.00 C ATOM 262 CG PHE A 20 35.453 18.355 23.612 1.00 0.00 C ATOM 263 CD1 PHE A 20 35.566 17.313 22.675 1.00 0.00 C ATOM 264 CD2 PHE A 20 36.623 18.891 24.188 1.00 0.00 C ATOM 265 CE1 PHE A 20 36.826 16.824 22.302 1.00 0.00 C ATOM 266 CE2 PHE A 20 37.887 18.407 23.805 1.00 0.00 C ATOM 267 CZ PHE A 20 37.993 17.381 22.857 1.00 0.00 C ATOM 0 H PHE A 20 34.734 21.308 23.448 1.00 0.00 H new ATOM 0 HA PHE A 20 33.483 19.142 21.883 1.00 0.00 H new ATOM 0 HB2 PHE A 20 34.121 19.512 24.835 1.00 0.00 H new ATOM 0 HB3 PHE A 20 33.388 18.084 24.131 1.00 0.00 H new ATOM 0 HD1 PHE A 20 34.675 16.886 22.239 1.00 0.00 H new ATOM 0 HD2 PHE A 20 36.548 19.676 24.926 1.00 0.00 H new ATOM 0 HE1 PHE A 20 36.901 16.018 21.587 1.00 0.00 H new ATOM 0 HE2 PHE A 20 38.780 18.828 24.244 1.00 0.00 H new ATOM 0 HZ PHE A 20 38.965 17.020 22.554 1.00 0.00 H new ATOM 277 N CYS A 21 31.413 20.506 21.784 1.00 0.00 N ATOM 278 CA CYS A 21 29.971 20.790 21.700 1.00 0.00 C ATOM 279 C CYS A 21 29.222 19.485 22.013 1.00 0.00 C ATOM 280 O CYS A 21 29.151 18.589 21.168 1.00 0.00 O ATOM 281 CB CYS A 21 29.620 21.360 20.322 1.00 0.00 C ATOM 282 SG CYS A 21 27.872 21.802 20.118 1.00 0.00 S ATOM 0 H CYS A 21 31.895 20.590 20.889 1.00 0.00 H new ATOM 0 HA CYS A 21 29.673 21.549 22.423 1.00 0.00 H new ATOM 0 HB2 CYS A 21 30.230 22.246 20.142 1.00 0.00 H new ATOM 0 HB3 CYS A 21 29.889 20.628 19.560 1.00 0.00 H new ATOM 287 N LYS A 22 28.689 19.360 23.235 1.00 0.00 N ATOM 288 CA LYS A 22 28.084 18.123 23.746 1.00 0.00 C ATOM 289 C LYS A 22 26.682 18.307 24.331 1.00 0.00 C ATOM 290 O LYS A 22 26.378 19.332 24.941 1.00 0.00 O ATOM 291 CB LYS A 22 29.140 17.491 24.694 1.00 0.00 C ATOM 292 CG LYS A 22 28.975 17.612 26.202 1.00 0.00 C ATOM 293 CD LYS A 22 28.052 16.565 26.801 1.00 0.00 C ATOM 294 CE LYS A 22 28.328 15.103 26.430 1.00 0.00 C ATOM 295 NZ LYS A 22 27.401 14.223 27.168 1.00 0.00 N ATOM 0 H LYS A 22 28.666 20.127 23.907 1.00 0.00 H new ATOM 0 HA LYS A 22 27.864 17.426 22.937 1.00 0.00 H new ATOM 0 HB2 LYS A 22 29.194 16.428 24.458 1.00 0.00 H new ATOM 0 HB3 LYS A 22 30.107 17.924 24.437 1.00 0.00 H new ATOM 0 HG2 LYS A 22 29.955 17.532 26.673 1.00 0.00 H new ATOM 0 HG3 LYS A 22 28.587 18.603 26.438 1.00 0.00 H new ATOM 0 HD2 LYS A 22 28.097 16.654 27.886 1.00 0.00 H new ATOM 0 HD3 LYS A 22 27.031 16.803 26.504 1.00 0.00 H new ATOM 0 HE2 LYS A 22 28.205 14.960 25.356 1.00 0.00 H new ATOM 0 HE3 LYS A 22 29.359 14.845 26.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 27.483 13.251 26.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 27.641 14.237 28.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 26.426 14.560 27.039 1.00 0.00 H new ATOM 309 N GLU A 23 25.827 17.292 24.170 1.00 0.00 N ATOM 310 CA GLU A 23 24.488 17.244 24.754 1.00 0.00 C ATOM 311 C GLU A 23 24.566 16.722 26.194 1.00 0.00 C ATOM 312 O GLU A 23 24.946 15.575 26.463 1.00 0.00 O ATOM 313 CB GLU A 23 23.484 16.428 23.915 1.00 0.00 C ATOM 314 CG GLU A 23 22.061 16.853 24.213 1.00 0.00 C ATOM 315 CD GLU A 23 21.215 17.302 23.010 1.00 0.00 C ATOM 316 OE1 GLU A 23 21.176 16.603 21.976 1.00 0.00 O ATOM 317 OE2 GLU A 23 20.628 18.410 23.072 1.00 0.00 O ATOM 0 H GLU A 23 26.054 16.465 23.618 1.00 0.00 H new ATOM 0 HA GLU A 23 24.103 18.264 24.760 1.00 0.00 H new ATOM 0 HB2 GLU A 23 23.694 16.565 22.854 1.00 0.00 H new ATOM 0 HB3 GLU A 23 23.603 15.366 24.129 1.00 0.00 H new ATOM 0 HG2 GLU A 23 21.551 16.021 24.698 1.00 0.00 H new ATOM 0 HG3 GLU A 23 22.092 17.671 24.933 1.00 0.00 H new ATOM 324 N LYS A 24 24.303 17.625 27.128 1.00 0.00 N ATOM 325 CA LYS A 24 24.210 17.433 28.577 1.00 0.00 C ATOM 326 C LYS A 24 22.816 17.849 29.002 1.00 0.00 C ATOM 327 O LYS A 24 22.015 18.292 28.188 1.00 0.00 O ATOM 328 CB LYS A 24 25.321 18.242 29.269 1.00 0.00 C ATOM 329 CG LYS A 24 25.211 19.758 29.013 1.00 0.00 C ATOM 330 CD LYS A 24 26.197 20.579 29.852 1.00 0.00 C ATOM 331 CE LYS A 24 27.657 20.408 29.412 1.00 0.00 C ATOM 332 NZ LYS A 24 28.523 21.277 30.241 1.00 0.00 N ATOM 0 H LYS A 24 24.134 18.598 26.873 1.00 0.00 H new ATOM 0 HA LYS A 24 24.360 16.393 28.866 1.00 0.00 H new ATOM 0 HB2 LYS A 24 25.283 18.057 30.342 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.291 17.890 28.919 1.00 0.00 H new ATOM 0 HG2 LYS A 24 25.388 19.956 27.956 1.00 0.00 H new ATOM 0 HG3 LYS A 24 24.195 20.085 29.233 1.00 0.00 H new ATOM 0 HD2 LYS A 24 25.927 21.633 29.789 1.00 0.00 H new ATOM 0 HD3 LYS A 24 26.104 20.288 30.898 1.00 0.00 H new ATOM 0 HE2 LYS A 24 27.961 19.366 29.517 1.00 0.00 H new ATOM 0 HE3 LYS A 24 27.764 20.667 28.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 29.521 21.054 30.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 28.341 22.274 30.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 28.316 21.115 31.247 1.00 0.00 H new ATOM 346 N THR A 25 22.498 17.681 30.269 1.00 0.00 N ATOM 347 CA THR A 25 21.164 17.990 30.754 1.00 0.00 C ATOM 348 C THR A 25 21.262 18.577 32.136 1.00 0.00 C ATOM 349 O THR A 25 22.267 18.413 32.830 1.00 0.00 O ATOM 350 CB THR A 25 20.283 16.762 30.603 1.00 0.00 C ATOM 351 OG1 THR A 25 18.911 16.916 30.672 1.00 0.00 O ATOM 352 CG2 THR A 25 20.497 15.794 31.705 1.00 0.00 C ATOM 0 H THR A 25 23.140 17.334 30.981 1.00 0.00 H new ATOM 0 HA THR A 25 20.671 18.761 30.161 1.00 0.00 H new ATOM 0 HB THR A 25 20.584 16.462 29.599 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.499 16.545 29.864 1.00 0.00 H new ATOM 0 HG21 THR A 25 19.849 14.930 31.561 1.00 0.00 H new ATOM 0 HG22 THR A 25 21.538 15.470 31.708 1.00 0.00 H new ATOM 0 HG23 THR A 25 20.262 16.269 32.657 1.00 0.00 H new ATOM 360 N ASP A 26 20.257 19.359 32.479 1.00 0.00 N ATOM 361 CA ASP A 26 20.250 20.073 33.735 1.00 0.00 C ATOM 362 C ASP A 26 19.952 19.115 34.887 1.00 0.00 C ATOM 363 O ASP A 26 19.514 17.977 34.703 1.00 0.00 O ATOM 364 CB ASP A 26 19.261 21.250 33.686 1.00 0.00 C ATOM 365 CG ASP A 26 19.949 22.442 34.341 1.00 0.00 C ATOM 366 OD1 ASP A 26 20.024 22.456 35.587 1.00 0.00 O ATOM 367 OD2 ASP A 26 20.511 23.265 33.588 1.00 0.00 O ATOM 0 H ASP A 26 19.432 19.515 31.900 1.00 0.00 H new ATOM 0 HA ASP A 26 21.239 20.496 33.910 1.00 0.00 H new ATOM 0 HB2 ASP A 26 18.988 21.481 32.656 1.00 0.00 H new ATOM 0 HB3 ASP A 26 18.339 21.001 34.212 1.00 0.00 H new ATOM 372 N GLN A 27 20.034 19.644 36.100 1.00 0.00 N ATOM 373 CA GLN A 27 19.680 18.914 37.326 1.00 0.00 C ATOM 374 C GLN A 27 18.183 18.550 37.397 1.00 0.00 C ATOM 375 O GLN A 27 17.722 17.875 38.309 1.00 0.00 O ATOM 376 CB GLN A 27 20.098 19.789 38.521 1.00 0.00 C ATOM 377 CG GLN A 27 19.194 21.036 38.668 1.00 0.00 C ATOM 378 CD GLN A 27 19.956 22.233 39.218 1.00 0.00 C ATOM 379 OE1 GLN A 27 20.113 22.403 40.422 1.00 0.00 O ATOM 380 NE2 GLN A 27 20.451 23.091 38.351 1.00 0.00 N ATOM 0 H GLN A 27 20.350 20.599 36.270 1.00 0.00 H new ATOM 0 HA GLN A 27 20.207 17.960 37.339 1.00 0.00 H new ATOM 0 HB2 GLN A 27 20.054 19.199 39.436 1.00 0.00 H new ATOM 0 HB3 GLN A 27 21.134 20.104 38.395 1.00 0.00 H new ATOM 0 HG2 GLN A 27 18.769 21.292 37.697 1.00 0.00 H new ATOM 0 HG3 GLN A 27 18.360 20.803 39.330 1.00 0.00 H new ATOM 0 HE21 GLN A 27 20.315 22.941 37.351 1.00 0.00 H new ATOM 0 HE22 GLN A 27 20.970 23.905 38.679 1.00 0.00 H new ATOM 389 N TYR A 28 17.438 19.038 36.412 1.00 0.00 N ATOM 390 CA TYR A 28 16.018 18.899 36.157 1.00 0.00 C ATOM 391 C TYR A 28 15.729 17.764 35.158 1.00 0.00 C ATOM 392 O TYR A 28 14.649 17.176 35.187 1.00 0.00 O ATOM 393 CB TYR A 28 15.585 20.237 35.527 1.00 0.00 C ATOM 394 CG TYR A 28 15.836 21.515 36.312 1.00 0.00 C ATOM 395 CD1 TYR A 28 15.735 21.562 37.717 1.00 0.00 C ATOM 396 CD2 TYR A 28 16.196 22.671 35.595 1.00 0.00 C ATOM 397 CE1 TYR A 28 15.991 22.769 38.401 1.00 0.00 C ATOM 398 CE2 TYR A 28 16.440 23.878 36.272 1.00 0.00 C ATOM 399 CZ TYR A 28 16.340 23.932 37.678 1.00 0.00 C ATOM 400 OH TYR A 28 16.576 25.105 38.329 1.00 0.00 O ATOM 0 H TYR A 28 17.874 19.609 35.688 1.00 0.00 H new ATOM 0 HA TYR A 28 15.485 18.662 37.078 1.00 0.00 H new ATOM 0 HB2 TYR A 28 16.091 20.332 34.566 1.00 0.00 H new ATOM 0 HB3 TYR A 28 14.516 20.177 35.320 1.00 0.00 H new ATOM 0 HD1 TYR A 28 15.462 20.675 38.269 1.00 0.00 H new ATOM 0 HD2 TYR A 28 16.285 22.630 34.519 1.00 0.00 H new ATOM 0 HE1 TYR A 28 15.920 22.804 39.478 1.00 0.00 H new ATOM 0 HE2 TYR A 28 16.704 24.765 35.715 1.00 0.00 H new ATOM 0 HH TYR A 28 16.804 25.801 37.677 1.00 0.00 H new ATOM 410 N GLY A 29 16.692 17.454 34.277 1.00 0.00 N ATOM 411 CA GLY A 29 16.579 16.490 33.170 1.00 0.00 C ATOM 412 C GLY A 29 16.221 17.127 31.822 1.00 0.00 C ATOM 413 O GLY A 29 15.733 16.446 30.918 1.00 0.00 O ATOM 0 H GLY A 29 17.614 17.888 34.318 1.00 0.00 H new ATOM 0 HA2 GLY A 29 17.524 15.957 33.068 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.820 15.749 33.423 1.00 0.00 H new ATOM 417 N LEU A 30 16.425 18.442 31.685 1.00 0.00 N ATOM 418 CA LEU A 30 16.259 19.186 30.437 1.00 0.00 C ATOM 419 C LEU A 30 17.571 19.130 29.708 1.00 0.00 C ATOM 420 O LEU A 30 18.564 19.631 30.212 1.00 0.00 O ATOM 421 CB LEU A 30 16.065 20.667 30.680 1.00 0.00 C ATOM 422 CG LEU A 30 14.655 21.102 31.018 1.00 0.00 C ATOM 423 CD1 LEU A 30 14.373 20.486 32.346 1.00 0.00 C ATOM 424 CD2 LEU A 30 14.793 22.588 31.210 1.00 0.00 C ATOM 0 H LEU A 30 16.718 19.032 32.463 1.00 0.00 H new ATOM 0 HA LEU A 30 15.406 18.756 29.912 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.723 20.971 31.494 1.00 0.00 H new ATOM 0 HB3 LEU A 30 16.388 21.207 29.790 1.00 0.00 H new ATOM 0 HG LEU A 30 13.889 20.839 30.288 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.366 20.754 32.665 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.453 19.402 32.268 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.094 20.852 33.077 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.822 23.014 31.461 1.00 0.00 H new ATOM 0 HD22 LEU A 30 15.497 22.787 32.018 1.00 0.00 H new ATOM 0 HD23 LEU A 30 15.161 23.041 30.289 1.00 0.00 H new ATOM 436 N THR A 31 17.566 18.494 28.565 1.00 0.00 N ATOM 437 CA THR A 31 18.722 18.221 27.736 1.00 0.00 C ATOM 438 C THR A 31 18.994 19.335 26.707 1.00 0.00 C ATOM 439 O THR A 31 18.089 19.779 25.999 1.00 0.00 O ATOM 440 CB THR A 31 18.498 16.873 27.054 1.00 0.00 C ATOM 441 OG1 THR A 31 18.414 15.846 28.023 1.00 0.00 O ATOM 442 CG2 THR A 31 19.706 16.620 26.188 1.00 0.00 C ATOM 0 H THR A 31 16.704 18.129 28.160 1.00 0.00 H new ATOM 0 HA THR A 31 19.612 18.188 28.364 1.00 0.00 H new ATOM 0 HB THR A 31 17.575 16.885 26.475 1.00 0.00 H new ATOM 0 HG1 THR A 31 18.269 14.986 27.576 1.00 0.00 H new ATOM 0 HG21 THR A 31 19.593 15.664 25.677 1.00 0.00 H new ATOM 0 HG22 THR A 31 19.798 17.417 25.450 1.00 0.00 H new ATOM 0 HG23 THR A 31 20.601 16.596 26.810 1.00 0.00 H new ATOM 450 N TYR A 32 20.257 19.747 26.582 1.00 0.00 N ATOM 451 CA TYR A 32 20.742 20.831 25.730 1.00 0.00 C ATOM 452 C TYR A 32 22.198 20.636 25.268 1.00 0.00 C ATOM 453 O TYR A 32 23.018 20.008 25.943 1.00 0.00 O ATOM 454 CB TYR A 32 20.634 22.147 26.500 1.00 0.00 C ATOM 455 CG TYR A 32 21.143 22.094 27.927 1.00 0.00 C ATOM 456 CD1 TYR A 32 20.316 21.659 28.970 1.00 0.00 C ATOM 457 CD2 TYR A 32 22.459 22.480 28.201 1.00 0.00 C ATOM 458 CE1 TYR A 32 20.731 21.735 30.306 1.00 0.00 C ATOM 459 CE2 TYR A 32 22.888 22.602 29.538 1.00 0.00 C ATOM 460 CZ TYR A 32 22.012 22.254 30.604 1.00 0.00 C ATOM 461 OH TYR A 32 22.424 22.400 31.891 1.00 0.00 O ATOM 0 H TYR A 32 21.013 19.305 27.105 1.00 0.00 H new ATOM 0 HA TYR A 32 20.123 20.839 24.833 1.00 0.00 H new ATOM 0 HB2 TYR A 32 21.189 22.914 25.960 1.00 0.00 H new ATOM 0 HB3 TYR A 32 19.590 22.459 26.513 1.00 0.00 H new ATOM 0 HD1 TYR A 32 19.340 21.257 28.740 1.00 0.00 H new ATOM 0 HD2 TYR A 32 23.144 22.684 27.391 1.00 0.00 H new ATOM 0 HE1 TYR A 32 20.079 21.401 31.100 1.00 0.00 H new ATOM 0 HE2 TYR A 32 23.884 22.960 29.754 1.00 0.00 H new ATOM 0 HH TYR A 32 21.760 22.919 32.390 1.00 0.00 H new ATOM 471 N ARG A 33 22.558 21.274 24.147 1.00 0.00 N ATOM 472 CA ARG A 33 23.893 21.226 23.526 1.00 0.00 C ATOM 473 C ARG A 33 24.669 22.504 23.787 1.00 0.00 C ATOM 474 O ARG A 33 24.272 23.590 23.376 1.00 0.00 O ATOM 475 CB ARG A 33 23.800 20.934 22.023 1.00 0.00 C ATOM 476 CG ARG A 33 23.624 19.428 21.793 1.00 0.00 C ATOM 477 CD ARG A 33 22.965 19.094 20.448 1.00 0.00 C ATOM 478 NE ARG A 33 21.510 19.322 20.531 1.00 0.00 N ATOM 479 CZ ARG A 33 20.682 19.813 19.634 1.00 0.00 C ATOM 480 NH1 ARG A 33 21.071 20.111 18.425 1.00 0.00 N ATOM 481 NH2 ARG A 33 19.434 20.023 19.941 1.00 0.00 N ATOM 0 H ARG A 33 21.905 21.860 23.626 1.00 0.00 H new ATOM 0 HA ARG A 33 24.440 20.405 23.990 1.00 0.00 H new ATOM 0 HB2 ARG A 33 22.960 21.477 21.590 1.00 0.00 H new ATOM 0 HB3 ARG A 33 24.701 21.285 21.519 1.00 0.00 H new ATOM 0 HG2 ARG A 33 24.599 18.943 21.843 1.00 0.00 H new ATOM 0 HG3 ARG A 33 23.020 19.012 22.599 1.00 0.00 H new ATOM 0 HD2 ARG A 33 23.394 19.712 19.659 1.00 0.00 H new ATOM 0 HD3 ARG A 33 23.165 18.056 20.183 1.00 0.00 H new ATOM 0 HE ARG A 33 21.081 19.059 21.418 1.00 0.00 H new ATOM 0 HH11 ARG A 33 22.043 19.965 18.151 1.00 0.00 H new ATOM 0 HH12 ARG A 33 20.403 20.490 17.753 1.00 0.00 H new ATOM 0 HH21 ARG A 33 19.096 19.807 20.879 1.00 0.00 H new ATOM 0 HH22 ARG A 33 18.794 20.404 19.244 1.00 0.00 H new ATOM 495 N THR A 34 25.765 22.350 24.518 1.00 0.00 N ATOM 496 CA THR A 34 26.641 23.428 24.985 1.00 0.00 C ATOM 497 C THR A 34 28.094 23.073 24.732 1.00 0.00 C ATOM 498 O THR A 34 28.467 21.894 24.703 1.00 0.00 O ATOM 499 CB THR A 34 26.414 23.722 26.475 1.00 0.00 C ATOM 500 OG1 THR A 34 26.413 22.527 27.229 1.00 0.00 O ATOM 501 CG2 THR A 34 25.065 24.408 26.668 1.00 0.00 C ATOM 0 H THR A 34 26.086 21.430 24.818 1.00 0.00 H new ATOM 0 HA THR A 34 26.395 24.329 24.423 1.00 0.00 H new ATOM 0 HB THR A 34 27.224 24.367 26.816 1.00 0.00 H new ATOM 0 HG1 THR A 34 26.889 22.673 28.073 1.00 0.00 H new ATOM 0 HG21 THR A 34 24.910 24.614 27.727 1.00 0.00 H new ATOM 0 HG22 THR A 34 25.050 25.344 26.110 1.00 0.00 H new ATOM 0 HG23 THR A 34 24.270 23.756 26.305 1.00 0.00 H new ATOM 509 N CYS A 35 28.918 24.091 24.509 1.00 0.00 N ATOM 510 CA CYS A 35 30.340 23.895 24.242 1.00 0.00 C ATOM 511 C CYS A 35 31.098 23.623 25.545 1.00 0.00 C ATOM 512 O CYS A 35 31.534 24.523 26.259 1.00 0.00 O ATOM 513 CB CYS A 35 30.904 24.996 23.340 1.00 0.00 C ATOM 514 SG CYS A 35 30.229 26.671 23.452 1.00 0.00 S ATOM 0 H CYS A 35 28.623 25.068 24.508 1.00 0.00 H new ATOM 0 HA CYS A 35 30.488 22.993 23.649 1.00 0.00 H new ATOM 0 HB2 CYS A 35 31.975 25.061 23.535 1.00 0.00 H new ATOM 0 HB3 CYS A 35 30.787 24.665 22.308 1.00 0.00 H new ATOM 519 N ASN A 36 31.182 22.338 25.892 1.00 0.00 N ATOM 520 CA ASN A 36 31.849 21.851 27.086 1.00 0.00 C ATOM 521 C ASN A 36 33.377 21.911 26.931 1.00 0.00 C ATOM 522 O ASN A 36 33.924 21.869 25.829 1.00 0.00 O ATOM 523 CB ASN A 36 31.395 20.397 27.354 1.00 0.00 C ATOM 524 CG ASN A 36 31.685 19.990 28.791 1.00 0.00 C ATOM 525 OD1 ASN A 36 31.199 20.611 29.724 1.00 0.00 O ATOM 526 ND2 ASN A 36 32.494 18.985 29.031 1.00 0.00 N ATOM 0 H ASN A 36 30.774 21.591 25.330 1.00 0.00 H new ATOM 0 HA ASN A 36 31.578 22.487 27.929 1.00 0.00 H new ATOM 0 HB2 ASN A 36 30.328 20.303 27.154 1.00 0.00 H new ATOM 0 HB3 ASN A 36 31.908 19.720 26.670 1.00 0.00 H new ATOM 0 HD21 ASN A 36 32.714 18.726 29.993 1.00 0.00 H new ATOM 0 HD22 ASN A 36 32.903 18.463 28.256 1.00 0.00 H new ATOM 533 N LEU A 37 34.084 21.932 28.062 1.00 0.00 N ATOM 534 CA LEU A 37 35.538 21.860 28.104 1.00 0.00 C ATOM 535 C LEU A 37 36.096 20.507 27.620 1.00 0.00 C ATOM 536 O LEU A 37 37.272 20.439 27.279 1.00 0.00 O ATOM 537 CB LEU A 37 35.961 22.152 29.541 1.00 0.00 C ATOM 538 CG LEU A 37 36.966 23.290 29.612 1.00 0.00 C ATOM 539 CD1 LEU A 37 36.203 24.591 29.467 1.00 0.00 C ATOM 540 CD2 LEU A 37 37.522 23.202 31.008 1.00 0.00 C ATOM 0 H LEU A 37 33.654 22.000 28.984 1.00 0.00 H new ATOM 0 HA LEU A 37 35.952 22.595 27.413 1.00 0.00 H new ATOM 0 HB2 LEU A 37 35.082 22.405 30.134 1.00 0.00 H new ATOM 0 HB3 LEU A 37 36.396 21.255 29.982 1.00 0.00 H new ATOM 0 HG LEU A 37 37.741 23.240 28.847 1.00 0.00 H new ATOM 0 HD11 LEU A 37 36.899 25.428 29.514 1.00 0.00 H new ATOM 0 HD12 LEU A 37 35.684 24.604 28.508 1.00 0.00 H new ATOM 0 HD13 LEU A 37 35.476 24.678 30.274 1.00 0.00 H new ATOM 0 HD21 LEU A 37 38.262 23.989 31.155 1.00 0.00 H new ATOM 0 HD22 LEU A 37 36.714 23.323 31.730 1.00 0.00 H new ATOM 0 HD23 LEU A 37 37.993 22.230 31.151 1.00 0.00 H new ATOM 552 N LEU A 38 35.272 19.446 27.610 1.00 0.00 N ATOM 553 CA LEU A 38 35.626 18.052 27.298 1.00 0.00 C ATOM 554 C LEU A 38 34.486 17.231 26.661 1.00 0.00 C ATOM 555 O LEU A 38 33.328 17.629 26.792 1.00 0.00 O ATOM 556 CB LEU A 38 36.034 17.375 28.615 1.00 0.00 C ATOM 557 CG LEU A 38 37.320 17.878 29.256 1.00 0.00 C ATOM 558 CD1 LEU A 38 37.450 17.154 30.587 1.00 0.00 C ATOM 559 CD2 LEU A 38 38.440 17.544 28.299 1.00 0.00 C ATOM 0 H LEU A 38 34.282 19.545 27.833 1.00 0.00 H new ATOM 0 HA LEU A 38 36.428 18.081 26.560 1.00 0.00 H new ATOM 0 HB2 LEU A 38 35.222 17.500 29.331 1.00 0.00 H new ATOM 0 HB3 LEU A 38 36.137 16.305 28.433 1.00 0.00 H new ATOM 0 HG LEU A 38 37.339 18.952 29.443 1.00 0.00 H new ATOM 0 HD11 LEU A 38 38.360 17.479 31.091 1.00 0.00 H new ATOM 0 HD12 LEU A 38 36.587 17.384 31.212 1.00 0.00 H new ATOM 0 HD13 LEU A 38 37.496 16.079 30.413 1.00 0.00 H new ATOM 0 HD21 LEU A 38 39.388 17.886 28.715 1.00 0.00 H new ATOM 0 HD22 LEU A 38 38.479 16.465 28.146 1.00 0.00 H new ATOM 0 HD23 LEU A 38 38.263 18.039 27.344 1.00 0.00 H new ATOM 571 N PRO A 39 34.781 16.089 26.010 1.00 0.00 N ATOM 572 CA PRO A 39 33.772 15.205 25.421 1.00 0.00 C ATOM 573 C PRO A 39 33.072 14.331 26.483 1.00 0.00 C ATOM 574 O PRO A 39 31.820 14.278 26.487 1.00 0.00 O ATOM 575 CB PRO A 39 34.546 14.394 24.377 1.00 0.00 C ATOM 576 CG PRO A 39 35.944 14.264 24.979 1.00 0.00 C ATOM 577 CD PRO A 39 36.121 15.555 25.782 1.00 0.00 C ATOM 0 HA PRO A 39 32.947 15.753 24.966 1.00 0.00 H new ATOM 0 HB2 PRO A 39 34.090 13.418 24.210 1.00 0.00 H new ATOM 0 HB3 PRO A 39 34.571 14.903 23.413 1.00 0.00 H new ATOM 0 HG2 PRO A 39 36.024 13.383 25.616 1.00 0.00 H new ATOM 0 HG3 PRO A 39 36.705 14.168 24.205 1.00 0.00 H new ATOM 0 HD2 PRO A 39 36.626 15.357 26.728 1.00 0.00 H new ATOM 0 HD3 PRO A 39 36.736 16.270 25.236 1.00 0.00 H new TER 585 PRO A 39