USER MOD reduce.3.24.130724 H: found=0, std=0, add=286, rem=0, adj=11 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 174:sc= -2.07 USER MOD Set 1.2: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 24 LYS NZ :NH3+ -158:sc= 0.919 (180deg=0) USER MOD Set 2.2: A 36 ASN : amide:sc= -0.486! K(o=0.43!,f=-1.7) USER MOD Set 3.1: A 9 ASN : amide:sc= 0.208 K(o=0.26,f=-0.39!) USER MOD Set 3.2: A 10 SER OG : rot 180:sc= 0.0489 USER MOD Single : A 1 LEU N :NH3+ 142:sc= 0.0816 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0.678 K(o=0.68,f=0) USER MOD Single : A 7 SER OG : rot 77:sc= 1.26 USER MOD Single : A 8 SER OG : rot -51:sc= 1.3 USER MOD Single : A 16 THR OG1 : rot -23:sc= 0.739 USER MOD Single : A 19 GLN : amide:sc= 0.204 K(o=0.2,f=-2.7!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot -45:sc= 1.18 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 32.086 33.074 29.701 1.00 0.00 N ATOM 2 CA LEU A 1 33.090 32.054 29.297 1.00 0.00 C ATOM 3 C LEU A 1 32.499 30.645 29.462 1.00 0.00 C ATOM 4 O LEU A 1 31.657 30.494 30.339 1.00 0.00 O ATOM 5 CB LEU A 1 34.354 32.186 30.165 1.00 0.00 C ATOM 6 CG LEU A 1 35.613 31.637 29.486 1.00 0.00 C ATOM 7 CD1 LEU A 1 36.274 32.722 28.644 1.00 0.00 C ATOM 8 CD2 LEU A 1 36.578 31.135 30.552 1.00 0.00 C ATOM 0 H1 LEU A 1 32.563 33.853 30.198 1.00 0.00 H new ATOM 0 H2 LEU A 1 31.608 33.444 28.855 1.00 0.00 H new ATOM 0 H3 LEU A 1 31.384 32.639 30.333 1.00 0.00 H new ATOM 0 HA LEU A 1 33.354 32.215 28.252 1.00 0.00 H new ATOM 0 HB2 LEU A 1 34.510 33.236 30.410 1.00 0.00 H new ATOM 0 HB3 LEU A 1 34.197 31.659 31.106 1.00 0.00 H new ATOM 0 HG LEU A 1 35.339 30.812 28.828 1.00 0.00 H new ATOM 0 HD11 LEU A 1 37.167 32.319 28.167 1.00 0.00 H new ATOM 0 HD12 LEU A 1 35.577 33.064 27.879 1.00 0.00 H new ATOM 0 HD13 LEU A 1 36.551 33.560 29.283 1.00 0.00 H new ATOM 0 HD21 LEU A 1 37.476 30.743 30.074 1.00 0.00 H new ATOM 0 HD22 LEU A 1 36.849 31.957 31.214 1.00 0.00 H new ATOM 0 HD23 LEU A 1 36.101 30.345 31.132 1.00 0.00 H new ATOM 20 N CYS A 2 32.938 29.645 28.677 1.00 0.00 N ATOM 21 CA CYS A 2 32.521 28.216 28.681 1.00 0.00 C ATOM 22 C CYS A 2 31.098 27.937 29.222 1.00 0.00 C ATOM 23 O CYS A 2 30.885 27.237 30.216 1.00 0.00 O ATOM 24 CB CYS A 2 33.600 27.337 29.331 1.00 0.00 C ATOM 25 SG CYS A 2 35.193 27.376 28.471 1.00 0.00 S ATOM 0 H CYS A 2 33.648 29.820 27.966 1.00 0.00 H new ATOM 0 HA CYS A 2 32.435 27.933 27.632 1.00 0.00 H new ATOM 0 HB2 CYS A 2 33.746 27.661 30.362 1.00 0.00 H new ATOM 0 HB3 CYS A 2 33.243 26.308 29.368 1.00 0.00 H new ATOM 30 N ASN A 3 30.132 28.537 28.533 1.00 0.00 N ATOM 31 CA ASN A 3 28.683 28.492 28.698 1.00 0.00 C ATOM 32 C ASN A 3 28.083 28.700 27.288 1.00 0.00 C ATOM 33 O ASN A 3 28.812 28.563 26.303 1.00 0.00 O ATOM 34 CB ASN A 3 28.265 29.567 29.723 1.00 0.00 C ATOM 35 CG ASN A 3 28.453 29.118 31.159 1.00 0.00 C ATOM 36 OD1 ASN A 3 27.720 28.291 31.681 1.00 0.00 O ATOM 37 ND2 ASN A 3 29.439 29.626 31.858 1.00 0.00 N ATOM 0 H ASN A 3 30.378 29.141 27.749 1.00 0.00 H new ATOM 0 HA ASN A 3 28.316 27.545 29.094 1.00 0.00 H new ATOM 0 HB2 ASN A 3 28.848 30.472 29.551 1.00 0.00 H new ATOM 0 HB3 ASN A 3 27.219 29.827 29.563 1.00 0.00 H new ATOM 0 HD21 ASN A 3 29.586 29.330 32.823 1.00 0.00 H new ATOM 0 HD22 ASN A 3 30.060 30.317 31.437 1.00 0.00 H new ATOM 44 N GLU A 4 26.793 29.032 27.197 1.00 0.00 N ATOM 45 CA GLU A 4 26.042 29.376 25.980 1.00 0.00 C ATOM 46 C GLU A 4 25.854 28.205 24.975 1.00 0.00 C ATOM 47 O GLU A 4 26.609 27.225 24.983 1.00 0.00 O ATOM 48 CB GLU A 4 26.619 30.670 25.353 1.00 0.00 C ATOM 49 CG GLU A 4 26.155 31.973 26.035 1.00 0.00 C ATOM 50 CD GLU A 4 26.618 32.127 27.499 1.00 0.00 C ATOM 51 OE1 GLU A 4 27.832 32.307 27.752 1.00 0.00 O ATOM 52 OE2 GLU A 4 25.752 32.092 28.409 1.00 0.00 O ATOM 0 H GLU A 4 26.202 29.071 28.027 1.00 0.00 H new ATOM 0 HA GLU A 4 25.015 29.581 26.282 1.00 0.00 H new ATOM 0 HB2 GLU A 4 27.707 30.623 25.391 1.00 0.00 H new ATOM 0 HB3 GLU A 4 26.338 30.706 24.301 1.00 0.00 H new ATOM 0 HG2 GLU A 4 26.524 32.821 25.459 1.00 0.00 H new ATOM 0 HG3 GLU A 4 25.066 32.017 26.005 1.00 0.00 H new ATOM 59 N PRO A 5 24.796 28.242 24.135 1.00 0.00 N ATOM 60 CA PRO A 5 24.468 27.136 23.234 1.00 0.00 C ATOM 61 C PRO A 5 25.384 27.070 22.006 1.00 0.00 C ATOM 62 O PRO A 5 25.949 28.079 21.578 1.00 0.00 O ATOM 63 CB PRO A 5 23.012 27.374 22.821 1.00 0.00 C ATOM 64 CG PRO A 5 22.889 28.898 22.860 1.00 0.00 C ATOM 65 CD PRO A 5 23.766 29.272 24.056 1.00 0.00 C ATOM 0 HA PRO A 5 24.610 26.179 23.736 1.00 0.00 H new ATOM 0 HB2 PRO A 5 22.804 26.977 21.827 1.00 0.00 H new ATOM 0 HB3 PRO A 5 22.314 26.895 23.508 1.00 0.00 H new ATOM 0 HG2 PRO A 5 23.244 29.357 21.937 1.00 0.00 H new ATOM 0 HG3 PRO A 5 21.856 29.218 22.999 1.00 0.00 H new ATOM 0 HD2 PRO A 5 24.210 30.258 23.921 1.00 0.00 H new ATOM 0 HD3 PRO A 5 23.179 29.309 24.974 1.00 0.00 H new ATOM 73 N CYS A 6 25.478 25.884 21.399 1.00 0.00 N ATOM 74 CA CYS A 6 26.300 25.626 20.206 1.00 0.00 C ATOM 75 C CYS A 6 25.646 24.657 19.195 1.00 0.00 C ATOM 76 O CYS A 6 24.803 23.834 19.558 1.00 0.00 O ATOM 77 CB CYS A 6 27.643 25.077 20.704 1.00 0.00 C ATOM 78 SG CYS A 6 27.497 23.599 21.739 1.00 0.00 S ATOM 0 H CYS A 6 24.977 25.058 21.727 1.00 0.00 H new ATOM 0 HA CYS A 6 26.422 26.557 19.653 1.00 0.00 H new ATOM 0 HB2 CYS A 6 28.270 24.845 19.843 1.00 0.00 H new ATOM 0 HB3 CYS A 6 28.154 25.855 21.270 1.00 0.00 H new ATOM 83 N SER A 7 26.063 24.727 17.921 1.00 0.00 N ATOM 84 CA SER A 7 25.633 23.814 16.841 1.00 0.00 C ATOM 85 C SER A 7 26.532 22.576 16.729 1.00 0.00 C ATOM 86 O SER A 7 26.050 21.474 16.485 1.00 0.00 O ATOM 87 CB SER A 7 25.644 24.488 15.455 1.00 0.00 C ATOM 88 OG SER A 7 25.378 25.878 15.490 1.00 0.00 O ATOM 0 H SER A 7 26.724 25.435 17.602 1.00 0.00 H new ATOM 0 HA SER A 7 24.618 23.529 17.118 1.00 0.00 H new ATOM 0 HB2 SER A 7 26.617 24.326 14.991 1.00 0.00 H new ATOM 0 HB3 SER A 7 24.903 24.002 14.820 1.00 0.00 H new ATOM 0 HG SER A 7 26.175 26.356 15.801 1.00 0.00 H new ATOM 94 N SER A 8 27.848 22.769 16.829 1.00 0.00 N ATOM 95 CA SER A 8 28.914 21.782 16.655 1.00 0.00 C ATOM 96 C SER A 8 30.156 22.147 17.478 1.00 0.00 C ATOM 97 O SER A 8 30.215 23.213 18.079 1.00 0.00 O ATOM 98 CB SER A 8 29.288 21.769 15.167 1.00 0.00 C ATOM 99 OG SER A 8 30.077 22.895 14.807 1.00 0.00 O ATOM 0 H SER A 8 28.225 23.690 17.051 1.00 0.00 H new ATOM 0 HA SER A 8 28.564 20.807 16.994 1.00 0.00 H new ATOM 0 HB2 SER A 8 29.836 20.855 14.939 1.00 0.00 H new ATOM 0 HB3 SER A 8 28.380 21.755 14.565 1.00 0.00 H new ATOM 0 HG SER A 8 29.640 23.714 15.120 1.00 0.00 H new ATOM 105 N ASN A 9 31.189 21.302 17.488 1.00 0.00 N ATOM 106 CA ASN A 9 32.482 21.592 18.132 1.00 0.00 C ATOM 107 C ASN A 9 33.058 22.961 17.753 1.00 0.00 C ATOM 108 O ASN A 9 33.549 23.725 18.584 1.00 0.00 O ATOM 109 CB ASN A 9 33.537 20.552 17.695 1.00 0.00 C ATOM 110 CG ASN A 9 33.286 19.949 16.321 1.00 0.00 C ATOM 111 OD1 ASN A 9 32.473 19.060 16.154 1.00 0.00 O ATOM 112 ND2 ASN A 9 33.882 20.453 15.267 1.00 0.00 N ATOM 0 H ASN A 9 31.156 20.384 17.045 1.00 0.00 H new ATOM 0 HA ASN A 9 32.281 21.567 19.203 1.00 0.00 H new ATOM 0 HB2 ASN A 9 34.519 21.024 17.698 1.00 0.00 H new ATOM 0 HB3 ASN A 9 33.567 19.749 18.432 1.00 0.00 H new ATOM 0 HD21 ASN A 9 33.659 20.098 14.337 1.00 0.00 H new ATOM 0 HD22 ASN A 9 34.568 21.200 15.377 1.00 0.00 H new ATOM 119 N SER A 10 33.004 23.261 16.461 1.00 0.00 N ATOM 120 CA SER A 10 33.624 24.435 15.864 1.00 0.00 C ATOM 121 C SER A 10 32.965 25.763 16.242 1.00 0.00 C ATOM 122 O SER A 10 33.549 26.825 16.051 1.00 0.00 O ATOM 123 CB SER A 10 33.775 24.197 14.370 1.00 0.00 C ATOM 124 OG SER A 10 34.618 23.083 14.121 1.00 0.00 O ATOM 0 H SER A 10 32.514 22.678 15.782 1.00 0.00 H new ATOM 0 HA SER A 10 34.619 24.560 16.292 1.00 0.00 H new ATOM 0 HB2 SER A 10 32.796 24.025 13.924 1.00 0.00 H new ATOM 0 HB3 SER A 10 34.190 25.086 13.895 1.00 0.00 H new ATOM 0 HG SER A 10 34.701 22.945 13.154 1.00 0.00 H new ATOM 130 N ASP A 11 31.788 25.705 16.857 1.00 0.00 N ATOM 131 CA ASP A 11 31.077 26.843 17.431 1.00 0.00 C ATOM 132 C ASP A 11 31.720 27.250 18.784 1.00 0.00 C ATOM 133 O ASP A 11 31.435 28.331 19.289 1.00 0.00 O ATOM 134 CB ASP A 11 29.636 26.412 17.726 1.00 0.00 C ATOM 135 CG ASP A 11 28.768 26.056 16.521 1.00 0.00 C ATOM 136 OD1 ASP A 11 29.074 25.080 15.797 1.00 0.00 O ATOM 137 OD2 ASP A 11 27.664 26.641 16.418 1.00 0.00 O ATOM 0 H ASP A 11 31.282 24.827 16.974 1.00 0.00 H new ATOM 0 HA ASP A 11 31.117 27.677 16.731 1.00 0.00 H new ATOM 0 HB2 ASP A 11 29.668 25.548 18.390 1.00 0.00 H new ATOM 0 HB3 ASP A 11 29.145 27.217 18.274 1.00 0.00 H new ATOM 142 N CYS A 12 32.617 26.416 19.341 1.00 0.00 N ATOM 143 CA CYS A 12 33.226 26.563 20.669 1.00 0.00 C ATOM 144 C CYS A 12 34.759 26.501 20.644 1.00 0.00 C ATOM 145 O CYS A 12 35.424 26.791 21.638 1.00 0.00 O ATOM 146 CB CYS A 12 32.722 25.422 21.566 1.00 0.00 C ATOM 147 SG CYS A 12 30.948 25.324 21.891 1.00 0.00 S ATOM 0 H CYS A 12 32.950 25.585 18.853 1.00 0.00 H new ATOM 0 HA CYS A 12 32.941 27.546 21.044 1.00 0.00 H new ATOM 0 HB2 CYS A 12 33.032 24.480 21.114 1.00 0.00 H new ATOM 0 HB3 CYS A 12 33.234 25.499 22.525 1.00 0.00 H new ATOM 152 N ILE A 13 35.329 26.096 19.510 1.00 0.00 N ATOM 153 CA ILE A 13 36.745 26.069 19.235 1.00 0.00 C ATOM 154 C ILE A 13 37.278 27.513 19.296 1.00 0.00 C ATOM 155 O ILE A 13 36.617 28.457 18.858 1.00 0.00 O ATOM 156 CB ILE A 13 36.905 25.395 17.869 1.00 0.00 C ATOM 157 CG1 ILE A 13 36.906 23.865 18.048 1.00 0.00 C ATOM 158 CG2 ILE A 13 38.207 25.801 17.232 1.00 0.00 C ATOM 159 CD1 ILE A 13 37.014 23.078 16.749 1.00 0.00 C ATOM 0 H ILE A 13 34.775 25.761 18.722 1.00 0.00 H new ATOM 0 HA ILE A 13 37.328 25.503 19.961 1.00 0.00 H new ATOM 0 HB ILE A 13 36.076 25.704 17.232 1.00 0.00 H new ATOM 0 HG12 ILE A 13 37.738 23.588 18.696 1.00 0.00 H new ATOM 0 HG13 ILE A 13 35.990 23.571 18.561 1.00 0.00 H new ATOM 0 HG21 ILE A 13 38.305 25.313 16.262 1.00 0.00 H new ATOM 0 HG22 ILE A 13 38.225 26.883 17.098 1.00 0.00 H new ATOM 0 HG23 ILE A 13 39.035 25.501 17.874 1.00 0.00 H new ATOM 0 HD11 ILE A 13 37.007 22.010 16.969 1.00 0.00 H new ATOM 0 HD12 ILE A 13 36.169 23.321 16.105 1.00 0.00 H new ATOM 0 HD13 ILE A 13 37.943 23.338 16.242 1.00 0.00 H new ATOM 171 N GLY A 14 38.501 27.675 19.797 1.00 0.00 N ATOM 172 CA GLY A 14 39.229 28.949 19.832 1.00 0.00 C ATOM 173 C GLY A 14 38.762 29.983 20.863 1.00 0.00 C ATOM 174 O GLY A 14 39.596 30.549 21.568 1.00 0.00 O ATOM 0 H GLY A 14 39.031 26.903 20.202 1.00 0.00 H new ATOM 0 HA2 GLY A 14 40.281 28.734 20.019 1.00 0.00 H new ATOM 0 HA3 GLY A 14 39.167 29.403 18.843 1.00 0.00 H new ATOM 178 N ILE A 15 37.449 30.224 20.967 1.00 0.00 N ATOM 179 CA ILE A 15 36.829 31.235 21.847 1.00 0.00 C ATOM 180 C ILE A 15 37.176 31.039 23.324 1.00 0.00 C ATOM 181 O ILE A 15 37.146 31.966 24.135 1.00 0.00 O ATOM 182 CB ILE A 15 35.318 31.368 21.560 1.00 0.00 C ATOM 183 CG1 ILE A 15 34.417 30.127 21.738 1.00 0.00 C ATOM 184 CG2 ILE A 15 35.176 31.804 20.098 1.00 0.00 C ATOM 185 CD1 ILE A 15 34.313 29.614 23.171 1.00 0.00 C ATOM 0 H ILE A 15 36.760 29.704 20.423 1.00 0.00 H new ATOM 0 HA ILE A 15 37.271 32.201 21.603 1.00 0.00 H new ATOM 0 HB ILE A 15 34.967 32.070 22.317 1.00 0.00 H new ATOM 0 HG12 ILE A 15 33.416 30.367 21.379 1.00 0.00 H new ATOM 0 HG13 ILE A 15 34.798 29.325 21.106 1.00 0.00 H new ATOM 0 HG21 ILE A 15 34.120 31.911 19.851 1.00 0.00 H new ATOM 0 HG22 ILE A 15 35.681 32.759 19.952 1.00 0.00 H new ATOM 0 HG23 ILE A 15 35.626 31.053 19.449 1.00 0.00 H new ATOM 0 HD11 ILE A 15 33.660 28.742 23.199 1.00 0.00 H new ATOM 0 HD12 ILE A 15 35.304 29.337 23.531 1.00 0.00 H new ATOM 0 HD13 ILE A 15 33.900 30.396 23.808 1.00 0.00 H new ATOM 197 N THR A 16 37.501 29.799 23.667 1.00 0.00 N ATOM 198 CA THR A 16 38.005 29.245 24.909 1.00 0.00 C ATOM 199 C THR A 16 38.449 27.795 24.650 1.00 0.00 C ATOM 200 O THR A 16 38.091 27.201 23.637 1.00 0.00 O ATOM 201 CB THR A 16 36.939 29.268 26.022 1.00 0.00 C ATOM 202 OG1 THR A 16 36.112 30.409 26.073 1.00 0.00 O ATOM 203 CG2 THR A 16 37.688 29.274 27.336 1.00 0.00 C ATOM 0 H THR A 16 37.400 29.056 22.976 1.00 0.00 H new ATOM 0 HA THR A 16 38.843 29.854 25.247 1.00 0.00 H new ATOM 0 HB THR A 16 36.295 28.411 25.826 1.00 0.00 H new ATOM 0 HG1 THR A 16 36.564 31.160 25.635 1.00 0.00 H new ATOM 0 HG21 THR A 16 36.976 29.290 28.161 1.00 0.00 H new ATOM 0 HG22 THR A 16 38.305 28.378 27.407 1.00 0.00 H new ATOM 0 HG23 THR A 16 38.324 30.158 27.388 1.00 0.00 H new ATOM 211 N LEU A 17 39.209 27.191 25.566 1.00 0.00 N ATOM 212 CA LEU A 17 39.655 25.785 25.589 1.00 0.00 C ATOM 213 C LEU A 17 38.503 24.781 25.879 1.00 0.00 C ATOM 214 O LEU A 17 38.670 23.856 26.669 1.00 0.00 O ATOM 215 CB LEU A 17 40.778 25.664 26.645 1.00 0.00 C ATOM 216 CG LEU A 17 41.885 26.716 26.619 1.00 0.00 C ATOM 217 CD1 LEU A 17 42.796 26.362 27.786 1.00 0.00 C ATOM 218 CD2 LEU A 17 42.647 26.670 25.308 1.00 0.00 C ATOM 0 H LEU A 17 39.558 27.706 26.374 1.00 0.00 H new ATOM 0 HA LEU A 17 40.023 25.519 24.598 1.00 0.00 H new ATOM 0 HB2 LEU A 17 40.316 25.686 27.632 1.00 0.00 H new ATOM 0 HB3 LEU A 17 41.242 24.684 26.532 1.00 0.00 H new ATOM 0 HG LEU A 17 41.486 27.727 26.704 1.00 0.00 H new ATOM 0 HD11 LEU A 17 43.619 27.075 27.834 1.00 0.00 H new ATOM 0 HD12 LEU A 17 42.228 26.400 28.716 1.00 0.00 H new ATOM 0 HD13 LEU A 17 43.194 25.357 27.645 1.00 0.00 H new ATOM 0 HD21 LEU A 17 43.429 27.429 25.315 1.00 0.00 H new ATOM 0 HD22 LEU A 17 43.098 25.685 25.183 1.00 0.00 H new ATOM 0 HD23 LEU A 17 41.962 26.863 24.482 1.00 0.00 H new ATOM 230 N CYS A 18 37.327 25.007 25.293 1.00 0.00 N ATOM 231 CA CYS A 18 36.086 24.257 25.512 1.00 0.00 C ATOM 232 C CYS A 18 35.460 23.818 24.169 1.00 0.00 C ATOM 233 O CYS A 18 34.258 23.963 23.957 1.00 0.00 O ATOM 234 CB CYS A 18 35.128 25.102 26.386 1.00 0.00 C ATOM 235 SG CYS A 18 35.726 25.442 28.073 1.00 0.00 S ATOM 0 H CYS A 18 37.206 25.759 24.615 1.00 0.00 H new ATOM 0 HA CYS A 18 36.298 23.335 26.053 1.00 0.00 H new ATOM 0 HB2 CYS A 18 34.944 26.052 25.883 1.00 0.00 H new ATOM 0 HB3 CYS A 18 34.170 24.586 26.453 1.00 0.00 H new ATOM 240 N GLN A 19 36.276 23.279 23.251 1.00 0.00 N ATOM 241 CA GLN A 19 35.913 22.870 21.870 1.00 0.00 C ATOM 242 C GLN A 19 34.828 21.773 21.757 1.00 0.00 C ATOM 243 O GLN A 19 34.435 21.400 20.648 1.00 0.00 O ATOM 244 CB GLN A 19 37.152 22.395 21.084 1.00 0.00 C ATOM 245 CG GLN A 19 38.175 21.585 21.881 1.00 0.00 C ATOM 246 CD GLN A 19 39.360 22.470 22.252 1.00 0.00 C ATOM 247 OE1 GLN A 19 39.350 23.169 23.252 1.00 0.00 O ATOM 248 NE2 GLN A 19 40.379 22.545 21.420 1.00 0.00 N ATOM 0 H GLN A 19 37.260 23.104 23.454 1.00 0.00 H new ATOM 0 HA GLN A 19 35.488 23.779 21.445 1.00 0.00 H new ATOM 0 HB2 GLN A 19 36.815 21.791 20.242 1.00 0.00 H new ATOM 0 HB3 GLN A 19 37.653 23.270 20.669 1.00 0.00 H new ATOM 0 HG2 GLN A 19 37.712 21.185 22.783 1.00 0.00 H new ATOM 0 HG3 GLN A 19 38.516 20.733 21.293 1.00 0.00 H new ATOM 0 HE21 GLN A 19 40.396 21.965 20.581 1.00 0.00 H new ATOM 0 HE22 GLN A 19 41.150 23.183 21.615 1.00 0.00 H new ATOM 257 N PHE A 20 34.327 21.259 22.873 1.00 0.00 N ATOM 258 CA PHE A 20 33.422 20.129 22.911 1.00 0.00 C ATOM 259 C PHE A 20 31.951 20.519 23.144 1.00 0.00 C ATOM 260 O PHE A 20 31.455 20.561 24.269 1.00 0.00 O ATOM 261 CB PHE A 20 34.020 19.142 23.918 1.00 0.00 C ATOM 262 CG PHE A 20 35.476 18.771 23.622 1.00 0.00 C ATOM 263 CD1 PHE A 20 35.800 18.102 22.426 1.00 0.00 C ATOM 264 CD2 PHE A 20 36.516 19.087 24.524 1.00 0.00 C ATOM 265 CE1 PHE A 20 37.128 17.746 22.140 1.00 0.00 C ATOM 266 CE2 PHE A 20 37.830 18.671 24.266 1.00 0.00 C ATOM 267 CZ PHE A 20 38.144 18.015 23.068 1.00 0.00 C ATOM 0 H PHE A 20 34.547 21.629 23.797 1.00 0.00 H new ATOM 0 HA PHE A 20 33.348 19.645 21.937 1.00 0.00 H new ATOM 0 HB2 PHE A 20 33.960 19.574 24.917 1.00 0.00 H new ATOM 0 HB3 PHE A 20 33.417 18.234 23.926 1.00 0.00 H new ATOM 0 HD1 PHE A 20 35.019 17.860 21.721 1.00 0.00 H new ATOM 0 HD2 PHE A 20 36.298 19.652 25.418 1.00 0.00 H new ATOM 0 HE1 PHE A 20 37.367 17.264 21.204 1.00 0.00 H new ATOM 0 HE2 PHE A 20 38.605 18.857 24.995 1.00 0.00 H new ATOM 0 HZ PHE A 20 39.162 17.719 22.861 1.00 0.00 H new ATOM 277 N CYS A 21 31.238 20.787 22.045 1.00 0.00 N ATOM 278 CA CYS A 21 29.801 21.067 22.017 1.00 0.00 C ATOM 279 C CYS A 21 28.979 19.818 22.391 1.00 0.00 C ATOM 280 O CYS A 21 28.564 19.025 21.544 1.00 0.00 O ATOM 281 CB CYS A 21 29.423 21.589 20.631 1.00 0.00 C ATOM 282 SG CYS A 21 27.681 22.046 20.449 1.00 0.00 S ATOM 0 H CYS A 21 31.662 20.816 21.118 1.00 0.00 H new ATOM 0 HA CYS A 21 29.569 21.829 22.761 1.00 0.00 H new ATOM 0 HB2 CYS A 21 30.039 22.459 20.404 1.00 0.00 H new ATOM 0 HB3 CYS A 21 29.664 20.826 19.891 1.00 0.00 H new ATOM 287 N LYS A 22 28.782 19.605 23.691 1.00 0.00 N ATOM 288 CA LYS A 22 28.141 18.439 24.309 1.00 0.00 C ATOM 289 C LYS A 22 26.702 18.618 24.750 1.00 0.00 C ATOM 290 O LYS A 22 26.419 19.448 25.609 1.00 0.00 O ATOM 291 CB LYS A 22 28.975 18.070 25.546 1.00 0.00 C ATOM 292 CG LYS A 22 29.771 16.812 25.291 1.00 0.00 C ATOM 293 CD LYS A 22 28.915 15.559 25.506 1.00 0.00 C ATOM 294 CE LYS A 22 29.709 14.315 25.121 1.00 0.00 C ATOM 295 NZ LYS A 22 28.970 13.080 25.443 1.00 0.00 N ATOM 0 H LYS A 22 29.085 20.285 24.388 1.00 0.00 H new ATOM 0 HA LYS A 22 28.106 17.670 23.538 1.00 0.00 H new ATOM 0 HB2 LYS A 22 29.649 18.890 25.795 1.00 0.00 H new ATOM 0 HB3 LYS A 22 28.319 17.925 26.404 1.00 0.00 H new ATOM 0 HG2 LYS A 22 30.155 16.822 24.271 1.00 0.00 H new ATOM 0 HG3 LYS A 22 30.634 16.784 25.956 1.00 0.00 H new ATOM 0 HD2 LYS A 22 28.605 15.495 26.549 1.00 0.00 H new ATOM 0 HD3 LYS A 22 28.007 15.621 24.907 1.00 0.00 H new ATOM 0 HE2 LYS A 22 29.931 14.340 24.054 1.00 0.00 H new ATOM 0 HE3 LYS A 22 30.665 14.315 25.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 29.539 12.254 25.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 28.780 13.045 26.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 28.069 13.069 24.923 1.00 0.00 H new ATOM 309 N GLU A 23 25.803 17.810 24.184 1.00 0.00 N ATOM 310 CA GLU A 23 24.410 17.767 24.632 1.00 0.00 C ATOM 311 C GLU A 23 24.384 16.957 25.946 1.00 0.00 C ATOM 312 O GLU A 23 24.503 15.727 25.954 1.00 0.00 O ATOM 313 CB GLU A 23 23.394 17.278 23.565 1.00 0.00 C ATOM 314 CG GLU A 23 22.034 17.908 23.767 1.00 0.00 C ATOM 315 CD GLU A 23 20.946 17.169 22.951 1.00 0.00 C ATOM 316 OE1 GLU A 23 20.877 15.911 22.996 1.00 0.00 O ATOM 317 OE2 GLU A 23 20.163 17.833 22.242 1.00 0.00 O ATOM 0 H GLU A 23 26.015 17.176 23.414 1.00 0.00 H new ATOM 0 HA GLU A 23 24.059 18.783 24.810 1.00 0.00 H new ATOM 0 HB2 GLU A 23 23.765 17.521 22.569 1.00 0.00 H new ATOM 0 HB3 GLU A 23 23.305 16.193 23.616 1.00 0.00 H new ATOM 0 HG2 GLU A 23 21.775 17.887 24.826 1.00 0.00 H new ATOM 0 HG3 GLU A 23 22.068 18.955 23.467 1.00 0.00 H new ATOM 324 N LYS A 24 24.331 17.694 27.058 1.00 0.00 N ATOM 325 CA LYS A 24 24.181 17.244 28.448 1.00 0.00 C ATOM 326 C LYS A 24 22.828 17.737 28.918 1.00 0.00 C ATOM 327 O LYS A 24 22.035 18.247 28.132 1.00 0.00 O ATOM 328 CB LYS A 24 25.371 17.716 29.318 1.00 0.00 C ATOM 329 CG LYS A 24 25.463 19.243 29.537 1.00 0.00 C ATOM 330 CD LYS A 24 26.368 19.633 30.723 1.00 0.00 C ATOM 331 CE LYS A 24 27.844 19.291 30.476 1.00 0.00 C ATOM 332 NZ LYS A 24 28.719 19.601 31.636 1.00 0.00 N ATOM 0 H LYS A 24 24.398 18.711 27.006 1.00 0.00 H new ATOM 0 HA LYS A 24 24.207 16.158 28.534 1.00 0.00 H new ATOM 0 HB2 LYS A 24 25.304 17.229 30.291 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.297 17.375 28.854 1.00 0.00 H new ATOM 0 HG2 LYS A 24 25.843 19.712 28.629 1.00 0.00 H new ATOM 0 HG3 LYS A 24 24.462 19.640 29.706 1.00 0.00 H new ATOM 0 HD2 LYS A 24 26.273 20.702 30.911 1.00 0.00 H new ATOM 0 HD3 LYS A 24 26.025 19.119 31.621 1.00 0.00 H new ATOM 0 HE2 LYS A 24 27.930 18.231 30.238 1.00 0.00 H new ATOM 0 HE3 LYS A 24 28.197 19.843 29.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 29.701 19.710 31.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 28.402 20.485 32.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 28.667 18.826 32.327 1.00 0.00 H new ATOM 346 N THR A 25 22.520 17.540 30.184 1.00 0.00 N ATOM 347 CA THR A 25 21.231 17.971 30.708 1.00 0.00 C ATOM 348 C THR A 25 21.378 18.495 32.108 1.00 0.00 C ATOM 349 O THR A 25 22.350 18.203 32.807 1.00 0.00 O ATOM 350 CB THR A 25 20.217 16.858 30.511 1.00 0.00 C ATOM 351 OG1 THR A 25 18.879 17.141 30.675 1.00 0.00 O ATOM 352 CG2 THR A 25 20.371 15.793 31.532 1.00 0.00 C ATOM 0 H THR A 25 23.132 17.091 30.865 1.00 0.00 H new ATOM 0 HA THR A 25 20.837 18.823 30.154 1.00 0.00 H new ATOM 0 HB THR A 25 20.439 16.614 29.472 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.345 16.361 30.416 1.00 0.00 H new ATOM 0 HG21 THR A 25 19.629 15.014 31.360 1.00 0.00 H new ATOM 0 HG22 THR A 25 21.371 15.364 31.462 1.00 0.00 H new ATOM 0 HG23 THR A 25 20.227 16.218 32.525 1.00 0.00 H new ATOM 360 N ASP A 26 20.432 19.336 32.477 1.00 0.00 N ATOM 361 CA ASP A 26 20.473 20.010 33.750 1.00 0.00 C ATOM 362 C ASP A 26 20.070 19.056 34.871 1.00 0.00 C ATOM 363 O ASP A 26 19.528 17.973 34.647 1.00 0.00 O ATOM 364 CB ASP A 26 19.587 21.267 33.732 1.00 0.00 C ATOM 365 CG ASP A 26 20.407 22.401 34.345 1.00 0.00 C ATOM 366 OD1 ASP A 26 20.724 22.308 35.549 1.00 0.00 O ATOM 367 OD2 ASP A 26 20.836 23.292 33.575 1.00 0.00 O ATOM 0 H ASP A 26 19.620 19.567 31.904 1.00 0.00 H new ATOM 0 HA ASP A 26 21.496 20.335 33.939 1.00 0.00 H new ATOM 0 HB2 ASP A 26 19.289 21.514 32.713 1.00 0.00 H new ATOM 0 HB3 ASP A 26 18.672 21.102 34.301 1.00 0.00 H new ATOM 372 N GLN A 27 20.181 19.526 36.104 1.00 0.00 N ATOM 373 CA GLN A 27 19.733 18.781 37.292 1.00 0.00 C ATOM 374 C GLN A 27 18.197 18.588 37.362 1.00 0.00 C ATOM 375 O GLN A 27 17.655 18.053 38.326 1.00 0.00 O ATOM 376 CB GLN A 27 20.232 19.502 38.555 1.00 0.00 C ATOM 377 CG GLN A 27 19.623 20.913 38.682 1.00 0.00 C ATOM 378 CD GLN A 27 19.570 21.398 40.125 1.00 0.00 C ATOM 379 OE1 GLN A 27 20.297 22.286 40.543 1.00 0.00 O ATOM 380 NE2 GLN A 27 18.706 20.837 40.943 1.00 0.00 N ATOM 0 H GLN A 27 20.585 20.438 36.320 1.00 0.00 H new ATOM 0 HA GLN A 27 20.159 17.780 37.222 1.00 0.00 H new ATOM 0 HB2 GLN A 27 19.975 18.914 39.436 1.00 0.00 H new ATOM 0 HB3 GLN A 27 21.319 19.576 38.527 1.00 0.00 H new ATOM 0 HG2 GLN A 27 20.210 21.613 38.088 1.00 0.00 H new ATOM 0 HG3 GLN A 27 18.615 20.909 38.266 1.00 0.00 H new ATOM 0 HE21 GLN A 27 18.093 20.094 40.606 1.00 0.00 H new ATOM 0 HE22 GLN A 27 18.649 21.145 41.914 1.00 0.00 H new ATOM 389 N TYR A 28 17.512 19.093 36.345 1.00 0.00 N ATOM 390 CA TYR A 28 16.080 19.104 36.089 1.00 0.00 C ATOM 391 C TYR A 28 15.687 18.081 34.994 1.00 0.00 C ATOM 392 O TYR A 28 14.515 17.720 34.867 1.00 0.00 O ATOM 393 CB TYR A 28 15.773 20.521 35.570 1.00 0.00 C ATOM 394 CG TYR A 28 16.210 21.704 36.418 1.00 0.00 C ATOM 395 CD1 TYR A 28 16.028 21.731 37.817 1.00 0.00 C ATOM 396 CD2 TYR A 28 16.843 22.784 35.781 1.00 0.00 C ATOM 397 CE1 TYR A 28 16.500 22.828 38.568 1.00 0.00 C ATOM 398 CE2 TYR A 28 17.313 23.881 36.526 1.00 0.00 C ATOM 399 CZ TYR A 28 17.151 23.908 37.922 1.00 0.00 C ATOM 400 OH TYR A 28 17.622 24.967 38.635 1.00 0.00 O ATOM 0 H TYR A 28 18.010 19.562 35.588 1.00 0.00 H new ATOM 0 HA TYR A 28 15.528 18.842 36.991 1.00 0.00 H new ATOM 0 HB2 TYR A 28 16.237 20.625 34.589 1.00 0.00 H new ATOM 0 HB3 TYR A 28 14.696 20.596 35.423 1.00 0.00 H new ATOM 0 HD1 TYR A 28 15.528 20.912 38.313 1.00 0.00 H new ATOM 0 HD2 TYR A 28 16.970 22.772 34.709 1.00 0.00 H new ATOM 0 HE1 TYR A 28 16.365 22.845 39.639 1.00 0.00 H new ATOM 0 HE2 TYR A 28 17.799 24.704 36.024 1.00 0.00 H new ATOM 0 HH TYR A 28 18.040 25.611 38.026 1.00 0.00 H new ATOM 410 N GLY A 29 16.667 17.639 34.189 1.00 0.00 N ATOM 411 CA GLY A 29 16.498 16.760 33.024 1.00 0.00 C ATOM 412 C GLY A 29 16.229 17.503 31.707 1.00 0.00 C ATOM 413 O GLY A 29 15.758 16.910 30.736 1.00 0.00 O ATOM 0 H GLY A 29 17.642 17.897 34.341 1.00 0.00 H new ATOM 0 HA2 GLY A 29 17.396 16.153 32.908 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.672 16.075 33.217 1.00 0.00 H new ATOM 417 N LEU A 30 16.541 18.802 31.655 1.00 0.00 N ATOM 418 CA LEU A 30 16.471 19.630 30.452 1.00 0.00 C ATOM 419 C LEU A 30 17.757 19.439 29.701 1.00 0.00 C ATOM 420 O LEU A 30 18.805 19.824 30.197 1.00 0.00 O ATOM 421 CB LEU A 30 16.488 21.111 30.779 1.00 0.00 C ATOM 422 CG LEU A 30 15.149 21.754 31.057 1.00 0.00 C ATOM 423 CD1 LEU A 30 14.654 21.090 32.295 1.00 0.00 C ATOM 424 CD2 LEU A 30 15.507 23.181 31.371 1.00 0.00 C ATOM 0 H LEU A 30 16.858 19.319 32.475 1.00 0.00 H new ATOM 0 HA LEU A 30 15.563 19.349 29.918 1.00 0.00 H new ATOM 0 HB2 LEU A 30 17.126 21.261 31.650 1.00 0.00 H new ATOM 0 HB3 LEU A 30 16.954 21.639 29.947 1.00 0.00 H new ATOM 0 HG LEU A 30 14.410 21.682 30.259 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.682 21.502 32.565 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.557 20.019 32.120 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.360 21.262 33.107 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.600 23.744 31.590 1.00 0.00 H new ATOM 0 HD22 LEU A 30 16.169 23.208 32.237 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.012 23.626 30.514 1.00 0.00 H new ATOM 436 N THR A 31 17.680 18.827 28.543 1.00 0.00 N ATOM 437 CA THR A 31 18.811 18.535 27.689 1.00 0.00 C ATOM 438 C THR A 31 19.155 19.746 26.811 1.00 0.00 C ATOM 439 O THR A 31 18.267 20.385 26.246 1.00 0.00 O ATOM 440 CB THR A 31 18.492 17.308 26.837 1.00 0.00 C ATOM 441 OG1 THR A 31 18.383 16.158 27.650 1.00 0.00 O ATOM 442 CG2 THR A 31 19.646 17.104 25.888 1.00 0.00 C ATOM 0 H THR A 31 16.794 18.506 28.153 1.00 0.00 H new ATOM 0 HA THR A 31 19.685 18.321 28.304 1.00 0.00 H new ATOM 0 HB THR A 31 17.551 17.461 26.308 1.00 0.00 H new ATOM 0 HG1 THR A 31 18.177 15.380 27.091 1.00 0.00 H new ATOM 0 HG21 THR A 31 19.452 16.233 25.262 1.00 0.00 H new ATOM 0 HG22 THR A 31 19.759 17.986 25.258 1.00 0.00 H new ATOM 0 HG23 THR A 31 20.562 16.945 26.458 1.00 0.00 H new ATOM 450 N TYR A 32 20.448 20.037 26.661 1.00 0.00 N ATOM 451 CA TYR A 32 20.993 21.120 25.851 1.00 0.00 C ATOM 452 C TYR A 32 22.477 20.891 25.538 1.00 0.00 C ATOM 453 O TYR A 32 23.228 20.340 26.340 1.00 0.00 O ATOM 454 CB TYR A 32 20.820 22.436 26.611 1.00 0.00 C ATOM 455 CG TYR A 32 21.339 22.383 28.027 1.00 0.00 C ATOM 456 CD1 TYR A 32 20.536 21.907 29.072 1.00 0.00 C ATOM 457 CD2 TYR A 32 22.663 22.742 28.275 1.00 0.00 C ATOM 458 CE1 TYR A 32 21.006 21.892 30.388 1.00 0.00 C ATOM 459 CE2 TYR A 32 23.154 22.762 29.595 1.00 0.00 C ATOM 460 CZ TYR A 32 22.313 22.362 30.666 1.00 0.00 C ATOM 461 OH TYR A 32 22.765 22.431 31.945 1.00 0.00 O ATOM 0 H TYR A 32 21.177 19.495 27.125 1.00 0.00 H new ATOM 0 HA TYR A 32 20.456 21.155 24.903 1.00 0.00 H new ATOM 0 HB2 TYR A 32 21.338 23.229 26.072 1.00 0.00 H new ATOM 0 HB3 TYR A 32 19.763 22.700 26.629 1.00 0.00 H new ATOM 0 HD1 TYR A 32 19.541 21.547 28.858 1.00 0.00 H new ATOM 0 HD2 TYR A 32 23.313 23.005 27.454 1.00 0.00 H new ATOM 0 HE1 TYR A 32 20.378 21.525 31.186 1.00 0.00 H new ATOM 0 HE2 TYR A 32 24.167 23.081 29.791 1.00 0.00 H new ATOM 0 HH TYR A 32 22.072 22.824 32.516 1.00 0.00 H new ATOM 471 N ARG A 33 22.933 21.380 24.381 1.00 0.00 N ATOM 472 CA ARG A 33 24.321 21.376 23.922 1.00 0.00 C ATOM 473 C ARG A 33 24.926 22.761 24.019 1.00 0.00 C ATOM 474 O ARG A 33 24.405 23.748 23.508 1.00 0.00 O ATOM 475 CB ARG A 33 24.497 20.738 22.542 1.00 0.00 C ATOM 476 CG ARG A 33 23.440 21.156 21.561 1.00 0.00 C ATOM 477 CD ARG A 33 23.725 20.754 20.111 1.00 0.00 C ATOM 478 NE ARG A 33 22.588 21.220 19.318 1.00 0.00 N ATOM 479 CZ ARG A 33 22.499 21.362 18.008 1.00 0.00 C ATOM 480 NH1 ARG A 33 23.298 20.757 17.188 1.00 0.00 N ATOM 481 NH2 ARG A 33 21.584 22.112 17.468 1.00 0.00 N ATOM 0 H ARG A 33 22.306 21.813 23.703 1.00 0.00 H new ATOM 0 HA ARG A 33 24.882 20.730 24.598 1.00 0.00 H new ATOM 0 HB2 ARG A 33 25.477 21.005 22.147 1.00 0.00 H new ATOM 0 HB3 ARG A 33 24.480 19.653 22.645 1.00 0.00 H new ATOM 0 HG2 ARG A 33 22.488 20.721 21.865 1.00 0.00 H new ATOM 0 HG3 ARG A 33 23.326 22.239 21.609 1.00 0.00 H new ATOM 0 HD2 ARG A 33 24.653 21.204 19.759 1.00 0.00 H new ATOM 0 HD3 ARG A 33 23.842 19.674 20.024 1.00 0.00 H new ATOM 0 HE ARG A 33 21.752 21.468 19.847 1.00 0.00 H new ATOM 0 HH11 ARG A 33 24.030 20.144 17.548 1.00 0.00 H new ATOM 0 HH12 ARG A 33 23.196 20.893 16.182 1.00 0.00 H new ATOM 0 HH21 ARG A 33 20.915 22.606 18.059 1.00 0.00 H new ATOM 0 HH22 ARG A 33 21.535 22.206 16.454 1.00 0.00 H new ATOM 495 N THR A 34 26.019 22.764 24.752 1.00 0.00 N ATOM 496 CA THR A 34 26.842 23.895 25.193 1.00 0.00 C ATOM 497 C THR A 34 28.326 23.547 25.107 1.00 0.00 C ATOM 498 O THR A 34 28.692 22.380 24.938 1.00 0.00 O ATOM 499 CB THR A 34 26.500 24.264 26.648 1.00 0.00 C ATOM 500 OG1 THR A 34 26.567 23.125 27.480 1.00 0.00 O ATOM 501 CG2 THR A 34 25.088 24.826 26.767 1.00 0.00 C ATOM 0 H THR A 34 26.403 21.884 25.096 1.00 0.00 H new ATOM 0 HA THR A 34 26.632 24.741 24.538 1.00 0.00 H new ATOM 0 HB THR A 34 27.228 25.015 26.956 1.00 0.00 H new ATOM 0 HG1 THR A 34 26.348 23.379 28.401 1.00 0.00 H new ATOM 0 HG21 THR A 34 24.882 25.075 27.808 1.00 0.00 H new ATOM 0 HG22 THR A 34 25.001 25.724 26.155 1.00 0.00 H new ATOM 0 HG23 THR A 34 24.370 24.082 26.423 1.00 0.00 H new ATOM 509 N CYS A 35 29.184 24.558 25.224 1.00 0.00 N ATOM 510 CA CYS A 35 30.640 24.406 25.165 1.00 0.00 C ATOM 511 C CYS A 35 31.209 23.738 26.442 1.00 0.00 C ATOM 512 O CYS A 35 31.675 24.419 27.359 1.00 0.00 O ATOM 513 CB CYS A 35 31.264 25.783 24.894 1.00 0.00 C ATOM 514 SG CYS A 35 30.664 26.647 23.414 1.00 0.00 S ATOM 0 H CYS A 35 28.884 25.523 25.365 1.00 0.00 H new ATOM 0 HA CYS A 35 30.901 23.731 24.350 1.00 0.00 H new ATOM 0 HB2 CYS A 35 31.084 26.419 25.761 1.00 0.00 H new ATOM 0 HB3 CYS A 35 32.344 25.661 24.807 1.00 0.00 H new ATOM 519 N ASN A 36 31.151 22.402 26.529 1.00 0.00 N ATOM 520 CA ASN A 36 31.691 21.627 27.652 1.00 0.00 C ATOM 521 C ASN A 36 33.229 21.599 27.634 1.00 0.00 C ATOM 522 O ASN A 36 33.877 21.766 26.600 1.00 0.00 O ATOM 523 CB ASN A 36 31.144 20.178 27.619 1.00 0.00 C ATOM 524 CG ASN A 36 31.441 19.397 28.896 1.00 0.00 C ATOM 525 OD1 ASN A 36 31.010 19.758 29.980 1.00 0.00 O ATOM 526 ND2 ASN A 36 32.198 18.323 28.836 1.00 0.00 N ATOM 0 H ASN A 36 30.721 21.821 25.809 1.00 0.00 H new ATOM 0 HA ASN A 36 31.370 22.117 28.571 1.00 0.00 H new ATOM 0 HB2 ASN A 36 30.066 20.206 27.460 1.00 0.00 H new ATOM 0 HB3 ASN A 36 31.578 19.651 26.769 1.00 0.00 H new ATOM 0 HD21 ASN A 36 32.417 17.805 29.687 1.00 0.00 H new ATOM 0 HD22 ASN A 36 32.566 18.008 27.938 1.00 0.00 H new ATOM 533 N LEU A 37 33.812 21.303 28.798 1.00 0.00 N ATOM 534 CA LEU A 37 35.239 21.112 28.974 1.00 0.00 C ATOM 535 C LEU A 37 35.787 19.933 28.147 1.00 0.00 C ATOM 536 O LEU A 37 36.927 20.012 27.707 1.00 0.00 O ATOM 537 CB LEU A 37 35.499 20.886 30.489 1.00 0.00 C ATOM 538 CG LEU A 37 36.457 21.808 31.212 1.00 0.00 C ATOM 539 CD1 LEU A 37 37.718 21.917 30.406 1.00 0.00 C ATOM 540 CD2 LEU A 37 35.732 23.113 31.421 1.00 0.00 C ATOM 0 H LEU A 37 33.283 21.188 29.663 1.00 0.00 H new ATOM 0 HA LEU A 37 35.763 21.997 28.614 1.00 0.00 H new ATOM 0 HB2 LEU A 37 34.538 20.943 31.000 1.00 0.00 H new ATOM 0 HB3 LEU A 37 35.866 19.867 30.612 1.00 0.00 H new ATOM 0 HG LEU A 37 36.763 21.440 32.191 1.00 0.00 H new ATOM 0 HD11 LEU A 37 38.419 22.579 30.915 1.00 0.00 H new ATOM 0 HD12 LEU A 37 38.166 20.929 30.296 1.00 0.00 H new ATOM 0 HD13 LEU A 37 37.486 22.322 29.421 1.00 0.00 H new ATOM 0 HD21 LEU A 37 36.386 23.813 31.941 1.00 0.00 H new ATOM 0 HD22 LEU A 37 35.449 23.531 30.455 1.00 0.00 H new ATOM 0 HD23 LEU A 37 34.837 22.940 32.018 1.00 0.00 H new ATOM 552 N LEU A 38 34.984 18.872 27.933 1.00 0.00 N ATOM 553 CA LEU A 38 35.319 17.593 27.282 1.00 0.00 C ATOM 554 C LEU A 38 34.262 16.999 26.316 1.00 0.00 C ATOM 555 O LEU A 38 33.100 17.408 26.373 1.00 0.00 O ATOM 556 CB LEU A 38 35.598 16.569 28.395 1.00 0.00 C ATOM 557 CG LEU A 38 37.052 16.149 28.542 1.00 0.00 C ATOM 558 CD1 LEU A 38 37.858 17.365 28.860 1.00 0.00 C ATOM 559 CD2 LEU A 38 37.085 15.056 29.591 1.00 0.00 C ATOM 0 H LEU A 38 34.010 18.890 28.235 1.00 0.00 H new ATOM 0 HA LEU A 38 36.176 17.806 26.643 1.00 0.00 H new ATOM 0 HB2 LEU A 38 35.260 16.987 29.343 1.00 0.00 H new ATOM 0 HB3 LEU A 38 34.997 15.679 28.206 1.00 0.00 H new ATOM 0 HG LEU A 38 37.494 15.735 27.636 1.00 0.00 H new ATOM 0 HD11 LEU A 38 38.906 17.088 28.970 1.00 0.00 H new ATOM 0 HD12 LEU A 38 37.757 18.090 28.052 1.00 0.00 H new ATOM 0 HD13 LEU A 38 37.500 17.806 29.790 1.00 0.00 H new ATOM 0 HD21 LEU A 38 38.112 14.719 29.733 1.00 0.00 H new ATOM 0 HD22 LEU A 38 36.696 15.444 30.533 1.00 0.00 H new ATOM 0 HD23 LEU A 38 36.471 14.218 29.262 1.00 0.00 H new ATOM 571 N PRO A 39 34.665 16.024 25.469 1.00 0.00 N ATOM 572 CA PRO A 39 33.852 15.358 24.434 1.00 0.00 C ATOM 573 C PRO A 39 32.990 14.164 24.886 1.00 0.00 C ATOM 574 O PRO A 39 32.906 13.874 26.099 1.00 0.00 O ATOM 575 CB PRO A 39 34.881 14.911 23.397 1.00 0.00 C ATOM 576 CG PRO A 39 36.146 14.624 24.189 1.00 0.00 C ATOM 577 CD PRO A 39 36.028 15.509 25.423 1.00 0.00 C ATOM 0 HA PRO A 39 33.097 16.057 24.075 1.00 0.00 H new ATOM 0 HB2 PRO A 39 34.541 14.024 22.862 1.00 0.00 H new ATOM 0 HB3 PRO A 39 35.051 15.687 22.651 1.00 0.00 H new ATOM 0 HG2 PRO A 39 36.215 13.571 24.460 1.00 0.00 H new ATOM 0 HG3 PRO A 39 37.039 14.863 23.612 1.00 0.00 H new ATOM 0 HD2 PRO A 39 36.253 14.940 26.325 1.00 0.00 H new ATOM 0 HD3 PRO A 39 36.745 16.328 25.376 1.00 0.00 H new TER 585 PRO A 39