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 24 LYS NZ :NH3+ 159:sc= 0.891 (180deg=0) USER MOD Set 1.2: A 34 THR OG1 : rot 31:sc= 0.415 USER MOD Set 1.3: A 36 ASN : amide:sc= 0.123 K(o=1.4,f=-4!) USER MOD Set 2.1: A 1 LEU N :NH3+ -144:sc= 1.31 (180deg=0) USER MOD Set 2.2: A 3 ASN : amide:sc= 1.06 K(o=2.4,f=-4.6) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.395 K(o=0.39,f=-4.8!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 41:sc= 0.87 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 158:sc= 1.05 (180deg=0.7) USER MOD Single : A 25 THR OG1 : rot -72:sc= -0.579 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 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 110:sc= -0.016 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 32.992 30.755 31.964 1.00 0.00 N ATOM 2 CA LEU A 1 33.808 30.982 30.751 1.00 0.00 C ATOM 3 C LEU A 1 33.089 30.347 29.570 1.00 0.00 C ATOM 4 O LEU A 1 32.323 31.041 28.914 1.00 0.00 O ATOM 5 CB LEU A 1 35.278 30.535 30.926 1.00 0.00 C ATOM 6 CG LEU A 1 36.254 31.158 29.914 1.00 0.00 C ATOM 7 CD1 LEU A 1 37.622 30.552 30.189 1.00 0.00 C ATOM 8 CD2 LEU A 1 35.895 30.865 28.462 1.00 0.00 C ATOM 0 H1 LEU A 1 33.059 31.585 32.588 1.00 0.00 H new ATOM 0 H2 LEU A 1 31.999 30.605 31.692 1.00 0.00 H new ATOM 0 H3 LEU A 1 33.343 29.915 32.467 1.00 0.00 H new ATOM 0 HA LEU A 1 33.899 32.051 30.556 1.00 0.00 H new ATOM 0 HB2 LEU A 1 35.606 30.791 31.934 1.00 0.00 H new ATOM 0 HB3 LEU A 1 35.328 29.450 30.840 1.00 0.00 H new ATOM 0 HG LEU A 1 36.222 32.240 30.038 1.00 0.00 H new ATOM 0 HD11 LEU A 1 38.350 30.966 29.492 1.00 0.00 H new ATOM 0 HD12 LEU A 1 37.924 30.784 31.210 1.00 0.00 H new ATOM 0 HD13 LEU A 1 37.573 29.470 30.062 1.00 0.00 H new ATOM 0 HD21 LEU A 1 36.626 31.335 27.804 1.00 0.00 H new ATOM 0 HD22 LEU A 1 35.898 29.788 28.297 1.00 0.00 H new ATOM 0 HD23 LEU A 1 34.903 31.262 28.245 1.00 0.00 H new ATOM 20 N CYS A 2 33.311 29.060 29.289 1.00 0.00 N ATOM 21 CA CYS A 2 32.577 28.355 28.242 1.00 0.00 C ATOM 22 C CYS A 2 31.150 28.076 28.743 1.00 0.00 C ATOM 23 O CYS A 2 30.896 27.202 29.575 1.00 0.00 O ATOM 24 CB CYS A 2 33.351 27.124 27.771 1.00 0.00 C ATOM 25 SG CYS A 2 34.894 27.560 26.922 1.00 0.00 S ATOM 0 H CYS A 2 33.998 28.485 29.777 1.00 0.00 H new ATOM 0 HA CYS A 2 32.478 28.969 27.347 1.00 0.00 H new ATOM 0 HB2 CYS A 2 33.578 26.491 28.629 1.00 0.00 H new ATOM 0 HB3 CYS A 2 32.723 26.538 27.100 1.00 0.00 H new ATOM 30 N ASN A 3 30.248 28.937 28.287 1.00 0.00 N ATOM 31 CA ASN A 3 28.835 29.044 28.632 1.00 0.00 C ATOM 32 C ASN A 3 28.008 29.144 27.330 1.00 0.00 C ATOM 33 O ASN A 3 28.577 29.012 26.250 1.00 0.00 O ATOM 34 CB ASN A 3 28.673 30.273 29.553 1.00 0.00 C ATOM 35 CG ASN A 3 29.187 30.018 30.958 1.00 0.00 C ATOM 36 OD1 ASN A 3 30.348 30.228 31.287 1.00 0.00 O ATOM 37 ND2 ASN A 3 28.329 29.565 31.839 1.00 0.00 N ATOM 0 H ASN A 3 30.512 29.645 27.602 1.00 0.00 H new ATOM 0 HA ASN A 3 28.469 28.169 29.169 1.00 0.00 H new ATOM 0 HB2 ASN A 3 29.208 31.119 29.122 1.00 0.00 H new ATOM 0 HB3 ASN A 3 27.620 30.552 29.600 1.00 0.00 H new ATOM 0 HD21 ASN A 3 28.628 29.388 32.798 1.00 0.00 H new ATOM 0 HD22 ASN A 3 27.362 29.390 31.566 1.00 0.00 H new ATOM 44 N GLU A 4 26.691 29.385 27.440 1.00 0.00 N ATOM 45 CA GLU A 4 25.694 29.410 26.351 1.00 0.00 C ATOM 46 C GLU A 4 25.543 28.050 25.619 1.00 0.00 C ATOM 47 O GLU A 4 26.379 27.145 25.756 1.00 0.00 O ATOM 48 CB GLU A 4 26.028 30.509 25.318 1.00 0.00 C ATOM 49 CG GLU A 4 25.779 31.967 25.738 1.00 0.00 C ATOM 50 CD GLU A 4 26.153 32.942 24.601 1.00 0.00 C ATOM 51 OE1 GLU A 4 25.999 32.575 23.407 1.00 0.00 O ATOM 52 OE2 GLU A 4 26.628 34.066 24.883 1.00 0.00 O ATOM 0 H GLU A 4 26.266 29.580 28.346 1.00 0.00 H new ATOM 0 HA GLU A 4 24.742 29.628 26.834 1.00 0.00 H new ATOM 0 HB2 GLU A 4 27.079 30.410 25.048 1.00 0.00 H new ATOM 0 HB3 GLU A 4 25.447 30.313 24.417 1.00 0.00 H new ATOM 0 HG2 GLU A 4 24.730 32.098 26.004 1.00 0.00 H new ATOM 0 HG3 GLU A 4 26.365 32.198 26.628 1.00 0.00 H new ATOM 59 N PRO A 5 24.440 27.849 24.869 1.00 0.00 N ATOM 60 CA PRO A 5 24.291 26.660 24.040 1.00 0.00 C ATOM 61 C PRO A 5 25.113 26.819 22.749 1.00 0.00 C ATOM 62 O PRO A 5 25.407 27.940 22.329 1.00 0.00 O ATOM 63 CB PRO A 5 22.793 26.561 23.743 1.00 0.00 C ATOM 64 CG PRO A 5 22.337 28.021 23.749 1.00 0.00 C ATOM 65 CD PRO A 5 23.215 28.645 24.836 1.00 0.00 C ATOM 0 HA PRO A 5 24.653 25.756 24.531 1.00 0.00 H new ATOM 0 HB2 PRO A 5 22.604 26.084 22.781 1.00 0.00 H new ATOM 0 HB3 PRO A 5 22.271 25.973 24.498 1.00 0.00 H new ATOM 0 HG2 PRO A 5 22.492 28.497 22.781 1.00 0.00 H new ATOM 0 HG3 PRO A 5 21.276 28.113 23.983 1.00 0.00 H new ATOM 0 HD2 PRO A 5 23.434 29.689 24.610 1.00 0.00 H new ATOM 0 HD3 PRO A 5 22.712 28.627 25.803 1.00 0.00 H new ATOM 73 N CYS A 6 25.430 25.712 22.076 1.00 0.00 N ATOM 74 CA CYS A 6 26.160 25.735 20.794 1.00 0.00 C ATOM 75 C CYS A 6 25.481 24.949 19.662 1.00 0.00 C ATOM 76 O CYS A 6 24.827 23.924 19.868 1.00 0.00 O ATOM 77 CB CYS A 6 27.593 25.258 20.984 1.00 0.00 C ATOM 78 SG CYS A 6 27.854 23.619 21.687 1.00 0.00 S ATOM 0 H CYS A 6 25.192 24.774 22.397 1.00 0.00 H new ATOM 0 HA CYS A 6 26.154 26.777 20.475 1.00 0.00 H new ATOM 0 HB2 CYS A 6 28.086 25.287 20.012 1.00 0.00 H new ATOM 0 HB3 CYS A 6 28.103 25.980 21.622 1.00 0.00 H new ATOM 83 N SER A 7 25.677 25.434 18.433 1.00 0.00 N ATOM 84 CA SER A 7 25.231 24.809 17.187 1.00 0.00 C ATOM 85 C SER A 7 26.003 23.506 16.915 1.00 0.00 C ATOM 86 O SER A 7 25.402 22.429 16.919 1.00 0.00 O ATOM 87 CB SER A 7 25.412 25.825 16.046 1.00 0.00 C ATOM 88 OG SER A 7 24.866 25.353 14.825 1.00 0.00 O ATOM 0 H SER A 7 26.173 26.311 18.273 1.00 0.00 H new ATOM 0 HA SER A 7 24.179 24.535 17.263 1.00 0.00 H new ATOM 0 HB2 SER A 7 24.933 26.765 16.318 1.00 0.00 H new ATOM 0 HB3 SER A 7 26.473 26.035 15.912 1.00 0.00 H new ATOM 0 HG SER A 7 24.999 26.026 14.125 1.00 0.00 H new ATOM 94 N SER A 8 27.327 23.622 16.748 1.00 0.00 N ATOM 95 CA SER A 8 28.299 22.574 16.380 1.00 0.00 C ATOM 96 C SER A 8 29.649 22.858 17.061 1.00 0.00 C ATOM 97 O SER A 8 29.889 24.001 17.438 1.00 0.00 O ATOM 98 CB SER A 8 28.525 22.589 14.858 1.00 0.00 C ATOM 99 OG SER A 8 27.371 22.209 14.135 1.00 0.00 O ATOM 0 H SER A 8 27.787 24.523 16.876 1.00 0.00 H new ATOM 0 HA SER A 8 27.908 21.607 16.698 1.00 0.00 H new ATOM 0 HB2 SER A 8 28.830 23.589 14.549 1.00 0.00 H new ATOM 0 HB3 SER A 8 29.344 21.914 14.609 1.00 0.00 H new ATOM 0 HG SER A 8 27.563 22.236 13.174 1.00 0.00 H new ATOM 105 N ASN A 9 30.571 21.885 17.154 1.00 0.00 N ATOM 106 CA ASN A 9 31.861 22.011 17.876 1.00 0.00 C ATOM 107 C ASN A 9 32.635 23.331 17.665 1.00 0.00 C ATOM 108 O ASN A 9 33.208 23.862 18.612 1.00 0.00 O ATOM 109 CB ASN A 9 32.765 20.806 17.545 1.00 0.00 C ATOM 110 CG ASN A 9 32.276 19.495 18.142 1.00 0.00 C ATOM 111 OD1 ASN A 9 31.811 19.425 19.269 1.00 0.00 O ATOM 112 ND2 ASN A 9 32.330 18.417 17.393 1.00 0.00 N ATOM 0 H ASN A 9 30.444 20.969 16.723 1.00 0.00 H new ATOM 0 HA ASN A 9 31.587 22.026 18.931 1.00 0.00 H new ATOM 0 HB2 ASN A 9 32.832 20.700 16.462 1.00 0.00 H new ATOM 0 HB3 ASN A 9 33.773 21.008 17.909 1.00 0.00 H new ATOM 0 HD21 ASN A 9 31.985 17.528 17.754 1.00 0.00 H new ATOM 0 HD22 ASN A 9 32.717 18.469 16.451 1.00 0.00 H new ATOM 119 N SER A 10 32.668 23.866 16.436 1.00 0.00 N ATOM 120 CA SER A 10 33.411 25.097 16.110 1.00 0.00 C ATOM 121 C SER A 10 32.818 26.387 16.708 1.00 0.00 C ATOM 122 O SER A 10 33.538 27.366 16.872 1.00 0.00 O ATOM 123 CB SER A 10 33.640 25.193 14.593 1.00 0.00 C ATOM 124 OG SER A 10 34.879 25.807 14.305 1.00 0.00 O ATOM 0 H SER A 10 32.181 23.459 15.638 1.00 0.00 H new ATOM 0 HA SER A 10 34.379 25.012 16.604 1.00 0.00 H new ATOM 0 HB2 SER A 10 33.614 24.196 14.154 1.00 0.00 H new ATOM 0 HB3 SER A 10 32.832 25.764 14.135 1.00 0.00 H new ATOM 0 HG SER A 10 35.002 25.855 13.334 1.00 0.00 H new ATOM 130 N ASP A 11 31.562 26.375 17.168 1.00 0.00 N ATOM 131 CA ASP A 11 30.869 27.478 17.868 1.00 0.00 C ATOM 132 C ASP A 11 31.467 27.804 19.263 1.00 0.00 C ATOM 133 O ASP A 11 30.930 28.628 20.000 1.00 0.00 O ATOM 134 CB ASP A 11 29.390 27.057 18.018 1.00 0.00 C ATOM 135 CG ASP A 11 28.352 28.172 18.131 1.00 0.00 C ATOM 136 OD1 ASP A 11 28.674 29.368 17.950 1.00 0.00 O ATOM 137 OD2 ASP A 11 27.173 27.801 18.331 1.00 0.00 O ATOM 0 H ASP A 11 30.965 25.555 17.060 1.00 0.00 H new ATOM 0 HA ASP A 11 30.985 28.388 17.280 1.00 0.00 H new ATOM 0 HB2 ASP A 11 29.127 26.437 17.161 1.00 0.00 H new ATOM 0 HB3 ASP A 11 29.307 26.428 18.904 1.00 0.00 H new ATOM 142 N CYS A 12 32.571 27.147 19.644 1.00 0.00 N ATOM 143 CA CYS A 12 33.217 27.228 20.959 1.00 0.00 C ATOM 144 C CYS A 12 34.752 27.227 20.860 1.00 0.00 C ATOM 145 O CYS A 12 35.454 27.288 21.869 1.00 0.00 O ATOM 146 CB CYS A 12 32.802 25.989 21.770 1.00 0.00 C ATOM 147 SG CYS A 12 31.042 25.581 21.868 1.00 0.00 S ATOM 0 H CYS A 12 33.061 26.514 19.012 1.00 0.00 H new ATOM 0 HA CYS A 12 32.905 28.161 21.428 1.00 0.00 H new ATOM 0 HB2 CYS A 12 33.321 25.127 21.350 1.00 0.00 H new ATOM 0 HB3 CYS A 12 33.171 26.118 22.787 1.00 0.00 H new ATOM 152 N ILE A 13 35.296 27.100 19.648 1.00 0.00 N ATOM 153 CA ILE A 13 36.710 26.964 19.376 1.00 0.00 C ATOM 154 C ILE A 13 37.406 28.335 19.478 1.00 0.00 C ATOM 155 O ILE A 13 36.816 29.388 19.231 1.00 0.00 O ATOM 156 CB ILE A 13 36.786 26.287 17.997 1.00 0.00 C ATOM 157 CG1 ILE A 13 36.561 24.785 18.227 1.00 0.00 C ATOM 158 CG2 ILE A 13 38.121 26.493 17.332 1.00 0.00 C ATOM 159 CD1 ILE A 13 36.786 23.846 17.047 1.00 0.00 C ATOM 0 H ILE A 13 34.730 27.090 18.799 1.00 0.00 H new ATOM 0 HA ILE A 13 37.247 26.351 20.100 1.00 0.00 H new ATOM 0 HB ILE A 13 36.034 26.723 17.339 1.00 0.00 H new ATOM 0 HG12 ILE A 13 37.217 24.468 19.038 1.00 0.00 H new ATOM 0 HG13 ILE A 13 35.537 24.649 18.574 1.00 0.00 H new ATOM 0 HG21 ILE A 13 38.125 25.996 16.362 1.00 0.00 H new ATOM 0 HG22 ILE A 13 38.298 27.560 17.194 1.00 0.00 H new ATOM 0 HG23 ILE A 13 38.908 26.072 17.958 1.00 0.00 H new ATOM 0 HD11 ILE A 13 36.590 22.819 17.356 1.00 0.00 H new ATOM 0 HD12 ILE A 13 36.111 24.115 16.234 1.00 0.00 H new ATOM 0 HD13 ILE A 13 37.818 23.931 16.706 1.00 0.00 H new ATOM 171 N GLY A 14 38.692 28.326 19.828 1.00 0.00 N ATOM 172 CA GLY A 14 39.566 29.506 19.876 1.00 0.00 C ATOM 173 C GLY A 14 39.359 30.423 21.091 1.00 0.00 C ATOM 174 O GLY A 14 40.342 30.901 21.654 1.00 0.00 O ATOM 0 H GLY A 14 39.174 27.468 20.096 1.00 0.00 H new ATOM 0 HA2 GLY A 14 40.603 29.171 19.866 1.00 0.00 H new ATOM 0 HA3 GLY A 14 39.411 30.090 18.969 1.00 0.00 H new ATOM 178 N ILE A 15 38.113 30.624 21.545 1.00 0.00 N ATOM 179 CA ILE A 15 37.787 31.419 22.749 1.00 0.00 C ATOM 180 C ILE A 15 38.457 30.808 23.985 1.00 0.00 C ATOM 181 O ILE A 15 38.893 31.493 24.906 1.00 0.00 O ATOM 182 CB ILE A 15 36.271 31.709 22.866 1.00 0.00 C ATOM 183 CG1 ILE A 15 35.296 30.528 23.029 1.00 0.00 C ATOM 184 CG2 ILE A 15 35.846 32.397 21.563 1.00 0.00 C ATOM 185 CD1 ILE A 15 35.443 29.754 24.328 1.00 0.00 C ATOM 0 H ILE A 15 37.290 30.236 21.084 1.00 0.00 H new ATOM 0 HA ILE A 15 38.216 32.417 22.658 1.00 0.00 H new ATOM 0 HB ILE A 15 36.193 32.280 23.791 1.00 0.00 H new ATOM 0 HG12 ILE A 15 34.276 30.906 22.961 1.00 0.00 H new ATOM 0 HG13 ILE A 15 35.438 29.841 22.195 1.00 0.00 H new ATOM 0 HG21 ILE A 15 34.780 32.621 21.601 1.00 0.00 H new ATOM 0 HG22 ILE A 15 36.407 33.323 21.441 1.00 0.00 H new ATOM 0 HG23 ILE A 15 36.048 31.736 20.720 1.00 0.00 H new ATOM 0 HD11 ILE A 15 34.715 28.943 24.352 1.00 0.00 H new ATOM 0 HD12 ILE A 15 36.450 29.341 24.393 1.00 0.00 H new ATOM 0 HD13 ILE A 15 35.270 30.422 25.171 1.00 0.00 H new ATOM 197 N THR A 16 38.555 29.485 23.984 1.00 0.00 N ATOM 198 CA THR A 16 39.237 28.579 24.887 1.00 0.00 C ATOM 199 C THR A 16 39.304 27.235 24.142 1.00 0.00 C ATOM 200 O THR A 16 38.664 27.048 23.107 1.00 0.00 O ATOM 201 CB THR A 16 38.459 28.522 26.208 1.00 0.00 C ATOM 202 OG1 THR A 16 38.856 29.616 26.999 1.00 0.00 O ATOM 203 CG2 THR A 16 38.693 27.303 27.075 1.00 0.00 C ATOM 0 H THR A 16 38.092 28.955 23.246 1.00 0.00 H new ATOM 0 HA THR A 16 40.248 28.888 25.153 1.00 0.00 H new ATOM 0 HB THR A 16 37.412 28.511 25.904 1.00 0.00 H new ATOM 0 HG1 THR A 16 38.950 30.411 26.434 1.00 0.00 H new ATOM 0 HG21 THR A 16 38.089 27.378 27.979 1.00 0.00 H new ATOM 0 HG22 THR A 16 38.412 26.405 26.524 1.00 0.00 H new ATOM 0 HG23 THR A 16 39.747 27.247 27.347 1.00 0.00 H new ATOM 211 N LEU A 17 40.032 26.255 24.669 1.00 0.00 N ATOM 212 CA LEU A 17 40.155 24.898 24.129 1.00 0.00 C ATOM 213 C LEU A 17 38.867 24.046 24.257 1.00 0.00 C ATOM 214 O LEU A 17 38.925 22.828 24.152 1.00 0.00 O ATOM 215 CB LEU A 17 41.315 24.223 24.888 1.00 0.00 C ATOM 216 CG LEU A 17 42.652 24.963 24.842 1.00 0.00 C ATOM 217 CD1 LEU A 17 43.486 24.421 25.982 1.00 0.00 C ATOM 218 CD2 LEU A 17 43.328 24.750 23.501 1.00 0.00 C ATOM 0 H LEU A 17 40.577 26.387 25.521 1.00 0.00 H new ATOM 0 HA LEU A 17 40.340 24.968 23.057 1.00 0.00 H new ATOM 0 HB2 LEU A 17 41.022 24.103 25.931 1.00 0.00 H new ATOM 0 HB3 LEU A 17 41.459 23.223 24.480 1.00 0.00 H new ATOM 0 HG LEU A 17 42.518 26.039 24.952 1.00 0.00 H new ATOM 0 HD11 LEU A 17 44.455 24.920 25.993 1.00 0.00 H new ATOM 0 HD12 LEU A 17 42.974 24.604 26.927 1.00 0.00 H new ATOM 0 HD13 LEU A 17 43.631 23.349 25.849 1.00 0.00 H new ATOM 0 HD21 LEU A 17 44.279 25.283 23.484 1.00 0.00 H new ATOM 0 HD22 LEU A 17 43.506 23.686 23.348 1.00 0.00 H new ATOM 0 HD23 LEU A 17 42.686 25.128 22.706 1.00 0.00 H new ATOM 230 N CYS A 18 37.698 24.661 24.448 1.00 0.00 N ATOM 231 CA CYS A 18 36.406 24.032 24.722 1.00 0.00 C ATOM 232 C CYS A 18 35.636 23.648 23.447 1.00 0.00 C ATOM 233 O CYS A 18 34.437 23.862 23.318 1.00 0.00 O ATOM 234 CB CYS A 18 35.666 24.946 25.713 1.00 0.00 C ATOM 235 SG CYS A 18 34.968 26.511 25.170 1.00 0.00 S ATOM 0 H CYS A 18 37.625 25.678 24.413 1.00 0.00 H new ATOM 0 HA CYS A 18 36.530 23.056 25.191 1.00 0.00 H new ATOM 0 HB2 CYS A 18 34.851 24.362 26.141 1.00 0.00 H new ATOM 0 HB3 CYS A 18 36.359 25.168 26.524 1.00 0.00 H new ATOM 240 N GLN A 19 36.352 23.023 22.510 1.00 0.00 N ATOM 241 CA GLN A 19 35.883 22.497 21.216 1.00 0.00 C ATOM 242 C GLN A 19 34.858 21.341 21.311 1.00 0.00 C ATOM 243 O GLN A 19 34.561 20.702 20.307 1.00 0.00 O ATOM 244 CB GLN A 19 37.100 22.021 20.402 1.00 0.00 C ATOM 245 CG GLN A 19 38.090 21.127 21.130 1.00 0.00 C ATOM 246 CD GLN A 19 39.195 20.653 20.191 1.00 0.00 C ATOM 247 OE1 GLN A 19 39.228 19.528 19.723 1.00 0.00 O ATOM 248 NE2 GLN A 19 40.138 21.505 19.840 1.00 0.00 N ATOM 0 H GLN A 19 37.350 22.856 22.641 1.00 0.00 H new ATOM 0 HA GLN A 19 35.357 23.320 20.732 1.00 0.00 H new ATOM 0 HB2 GLN A 19 36.737 21.486 19.525 1.00 0.00 H new ATOM 0 HB3 GLN A 19 37.634 22.900 20.040 1.00 0.00 H new ATOM 0 HG2 GLN A 19 38.528 21.670 21.967 1.00 0.00 H new ATOM 0 HG3 GLN A 19 37.568 20.266 21.547 1.00 0.00 H new ATOM 0 HE21 GLN A 19 40.135 22.453 20.216 1.00 0.00 H new ATOM 0 HE22 GLN A 19 40.871 21.216 19.192 1.00 0.00 H new ATOM 257 N PHE A 20 34.315 21.048 22.493 1.00 0.00 N ATOM 258 CA PHE A 20 33.453 19.904 22.756 1.00 0.00 C ATOM 259 C PHE A 20 31.996 20.306 23.033 1.00 0.00 C ATOM 260 O PHE A 20 31.593 20.505 24.179 1.00 0.00 O ATOM 261 CB PHE A 20 34.133 19.109 23.890 1.00 0.00 C ATOM 262 CG PHE A 20 35.618 18.803 23.649 1.00 0.00 C ATOM 263 CD1 PHE A 20 35.992 18.013 22.552 1.00 0.00 C ATOM 264 CD2 PHE A 20 36.642 19.328 24.476 1.00 0.00 C ATOM 265 CE1 PHE A 20 37.346 17.755 22.274 1.00 0.00 C ATOM 266 CE2 PHE A 20 37.993 19.081 24.195 1.00 0.00 C ATOM 267 CZ PHE A 20 38.352 18.285 23.090 1.00 0.00 C ATOM 0 H PHE A 20 34.471 21.624 23.320 1.00 0.00 H new ATOM 0 HA PHE A 20 33.352 19.268 21.877 1.00 0.00 H new ATOM 0 HB2 PHE A 20 34.037 19.671 24.819 1.00 0.00 H new ATOM 0 HB3 PHE A 20 33.599 18.169 24.029 1.00 0.00 H new ATOM 0 HD1 PHE A 20 35.229 17.597 21.911 1.00 0.00 H new ATOM 0 HD2 PHE A 20 36.378 19.927 25.335 1.00 0.00 H new ATOM 0 HE1 PHE A 20 37.612 17.143 21.424 1.00 0.00 H new ATOM 0 HE2 PHE A 20 38.760 19.502 24.827 1.00 0.00 H new ATOM 0 HZ PHE A 20 39.391 18.086 22.875 1.00 0.00 H new ATOM 277 N CYS A 21 31.177 20.409 21.976 1.00 0.00 N ATOM 278 CA CYS A 21 29.728 20.670 22.044 1.00 0.00 C ATOM 279 C CYS A 21 28.937 19.453 22.552 1.00 0.00 C ATOM 280 O CYS A 21 28.069 18.908 21.866 1.00 0.00 O ATOM 281 CB CYS A 21 29.223 21.153 20.686 1.00 0.00 C ATOM 282 SG CYS A 21 29.374 22.933 20.516 1.00 0.00 S ATOM 0 H CYS A 21 31.514 20.310 21.018 1.00 0.00 H new ATOM 0 HA CYS A 21 29.561 21.460 22.776 1.00 0.00 H new ATOM 0 HB2 CYS A 21 29.787 20.663 19.893 1.00 0.00 H new ATOM 0 HB3 CYS A 21 28.180 20.863 20.562 1.00 0.00 H new ATOM 287 N LYS A 22 29.265 18.983 23.758 1.00 0.00 N ATOM 288 CA LYS A 22 28.675 17.763 24.323 1.00 0.00 C ATOM 289 C LYS A 22 27.239 18.012 24.800 1.00 0.00 C ATOM 290 O LYS A 22 26.933 19.035 25.419 1.00 0.00 O ATOM 291 CB LYS A 22 29.657 17.121 25.332 1.00 0.00 C ATOM 292 CG LYS A 22 29.396 17.267 26.829 1.00 0.00 C ATOM 293 CD LYS A 22 28.401 16.259 27.406 1.00 0.00 C ATOM 294 CE LYS A 22 28.759 14.779 27.221 1.00 0.00 C ATOM 295 NZ LYS A 22 27.612 13.908 27.570 1.00 0.00 N ATOM 0 H LYS A 22 29.945 19.434 24.370 1.00 0.00 H new ATOM 0 HA LYS A 22 28.543 16.998 23.558 1.00 0.00 H new ATOM 0 HB2 LYS A 22 29.703 16.055 25.111 1.00 0.00 H new ATOM 0 HB3 LYS A 22 30.647 17.531 25.131 1.00 0.00 H new ATOM 0 HG2 LYS A 22 30.343 17.167 27.360 1.00 0.00 H new ATOM 0 HG3 LYS A 22 29.026 18.274 27.023 1.00 0.00 H new ATOM 0 HD2 LYS A 22 28.293 16.455 28.473 1.00 0.00 H new ATOM 0 HD3 LYS A 22 27.428 16.437 26.949 1.00 0.00 H new ATOM 0 HE2 LYS A 22 29.056 14.599 26.188 1.00 0.00 H new ATOM 0 HE3 LYS A 22 29.615 14.527 27.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 27.723 12.985 27.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 27.579 13.774 28.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 26.728 14.353 27.250 1.00 0.00 H new ATOM 309 N GLU A 23 26.368 17.040 24.534 1.00 0.00 N ATOM 310 CA GLU A 23 24.969 17.042 24.974 1.00 0.00 C ATOM 311 C GLU A 23 24.829 16.413 26.362 1.00 0.00 C ATOM 312 O GLU A 23 25.282 15.288 26.610 1.00 0.00 O ATOM 313 CB GLU A 23 24.009 16.380 23.959 1.00 0.00 C ATOM 314 CG GLU A 23 22.832 17.316 23.704 1.00 0.00 C ATOM 315 CD GLU A 23 21.892 16.819 22.600 1.00 0.00 C ATOM 316 OE1 GLU A 23 21.027 15.952 22.870 1.00 0.00 O ATOM 317 OE2 GLU A 23 22.000 17.265 21.432 1.00 0.00 O ATOM 0 H GLU A 23 26.618 16.211 23.995 1.00 0.00 H new ATOM 0 HA GLU A 23 24.669 18.088 25.036 1.00 0.00 H new ATOM 0 HB2 GLU A 23 24.533 16.172 23.026 1.00 0.00 H new ATOM 0 HB3 GLU A 23 23.653 15.425 24.345 1.00 0.00 H new ATOM 0 HG2 GLU A 23 22.265 17.436 24.627 1.00 0.00 H new ATOM 0 HG3 GLU A 23 23.212 18.301 23.432 1.00 0.00 H new ATOM 324 N LYS A 24 24.258 17.186 27.278 1.00 0.00 N ATOM 325 CA LYS A 24 23.938 16.824 28.659 1.00 0.00 C ATOM 326 C LYS A 24 22.705 17.578 29.117 1.00 0.00 C ATOM 327 O LYS A 24 22.218 18.452 28.410 1.00 0.00 O ATOM 328 CB LYS A 24 25.158 17.115 29.549 1.00 0.00 C ATOM 329 CG LYS A 24 25.474 18.616 29.740 1.00 0.00 C ATOM 330 CD LYS A 24 26.575 18.845 30.791 1.00 0.00 C ATOM 331 CE LYS A 24 27.913 19.313 30.202 1.00 0.00 C ATOM 332 NZ LYS A 24 28.034 20.791 30.137 1.00 0.00 N ATOM 0 H LYS A 24 23.987 18.146 27.065 1.00 0.00 H new ATOM 0 HA LYS A 24 23.712 15.760 28.731 1.00 0.00 H new ATOM 0 HB2 LYS A 24 24.992 16.665 30.528 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.031 16.626 29.117 1.00 0.00 H new ATOM 0 HG2 LYS A 24 25.787 19.044 28.788 1.00 0.00 H new ATOM 0 HG3 LYS A 24 24.568 19.141 30.043 1.00 0.00 H new ATOM 0 HD2 LYS A 24 26.227 19.586 31.511 1.00 0.00 H new ATOM 0 HD3 LYS A 24 26.736 17.918 31.341 1.00 0.00 H new ATOM 0 HE2 LYS A 24 28.728 18.914 30.805 1.00 0.00 H new ATOM 0 HE3 LYS A 24 28.026 18.900 29.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 29.038 21.055 30.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 27.534 21.144 29.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 27.614 21.212 30.991 1.00 0.00 H new ATOM 346 N THR A 25 22.244 17.264 30.316 1.00 0.00 N ATOM 347 CA THR A 25 21.136 17.963 30.954 1.00 0.00 C ATOM 348 C THR A 25 21.535 18.574 32.276 1.00 0.00 C ATOM 349 O THR A 25 22.545 18.242 32.892 1.00 0.00 O ATOM 350 CB THR A 25 19.859 17.124 31.044 1.00 0.00 C ATOM 351 OG1 THR A 25 18.811 17.714 31.777 1.00 0.00 O ATOM 352 CG2 THR A 25 20.042 15.868 31.810 1.00 0.00 C ATOM 0 H THR A 25 22.631 16.509 30.882 1.00 0.00 H new ATOM 0 HA THR A 25 20.883 18.792 30.293 1.00 0.00 H new ATOM 0 HB THR A 25 19.628 16.994 29.987 1.00 0.00 H new ATOM 0 HG1 THR A 25 19.032 17.701 32.732 1.00 0.00 H new ATOM 0 HG21 THR A 25 19.101 15.318 31.838 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.806 15.257 31.329 1.00 0.00 H new ATOM 0 HG23 THR A 25 20.354 16.104 32.827 1.00 0.00 H new ATOM 360 N ASP A 26 20.672 19.483 32.686 1.00 0.00 N ATOM 361 CA ASP A 26 20.650 20.182 33.947 1.00 0.00 C ATOM 362 C ASP A 26 19.882 19.276 34.936 1.00 0.00 C ATOM 363 O ASP A 26 19.491 18.144 34.619 1.00 0.00 O ATOM 364 CB ASP A 26 20.010 21.573 33.734 1.00 0.00 C ATOM 365 CG ASP A 26 18.557 21.545 33.266 1.00 0.00 C ATOM 366 OD1 ASP A 26 17.885 20.501 33.420 1.00 0.00 O ATOM 367 OD2 ASP A 26 18.157 22.592 32.712 1.00 0.00 O ATOM 0 H ASP A 26 19.900 19.774 32.087 1.00 0.00 H new ATOM 0 HA ASP A 26 21.641 20.371 34.359 1.00 0.00 H new ATOM 0 HB2 ASP A 26 20.065 22.130 34.670 1.00 0.00 H new ATOM 0 HB3 ASP A 26 20.602 22.121 33.002 1.00 0.00 H new ATOM 372 N GLN A 27 19.627 19.781 36.138 1.00 0.00 N ATOM 373 CA GLN A 27 18.937 19.033 37.203 1.00 0.00 C ATOM 374 C GLN A 27 17.426 18.819 36.981 1.00 0.00 C ATOM 375 O GLN A 27 16.765 18.221 37.828 1.00 0.00 O ATOM 376 CB GLN A 27 19.208 19.731 38.543 1.00 0.00 C ATOM 377 CG GLN A 27 18.535 21.108 38.645 1.00 0.00 C ATOM 378 CD GLN A 27 18.541 21.611 40.093 1.00 0.00 C ATOM 379 OE1 GLN A 27 19.446 22.299 40.555 1.00 0.00 O ATOM 380 NE2 GLN A 27 17.551 21.241 40.878 1.00 0.00 N ATOM 0 H GLN A 27 19.892 20.727 36.411 1.00 0.00 H new ATOM 0 HA GLN A 27 19.347 18.023 37.196 1.00 0.00 H new ATOM 0 HB2 GLN A 27 18.853 19.097 39.356 1.00 0.00 H new ATOM 0 HB3 GLN A 27 20.284 19.847 38.676 1.00 0.00 H new ATOM 0 HG2 GLN A 27 19.056 21.821 38.006 1.00 0.00 H new ATOM 0 HG3 GLN A 27 17.509 21.044 38.282 1.00 0.00 H new ATOM 0 HE21 GLN A 27 16.792 20.669 40.507 1.00 0.00 H new ATOM 0 HE22 GLN A 27 17.543 21.526 41.857 1.00 0.00 H new ATOM 389 N TYR A 28 16.874 19.332 35.884 1.00 0.00 N ATOM 390 CA TYR A 28 15.446 19.261 35.554 1.00 0.00 C ATOM 391 C TYR A 28 15.147 18.163 34.522 1.00 0.00 C ATOM 392 O TYR A 28 14.005 17.704 34.425 1.00 0.00 O ATOM 393 CB TYR A 28 15.026 20.619 34.979 1.00 0.00 C ATOM 394 CG TYR A 28 15.329 21.825 35.833 1.00 0.00 C ATOM 395 CD1 TYR A 28 15.006 21.870 37.202 1.00 0.00 C ATOM 396 CD2 TYR A 28 15.963 22.909 35.213 1.00 0.00 C ATOM 397 CE1 TYR A 28 15.366 23.002 37.963 1.00 0.00 C ATOM 398 CE2 TYR A 28 16.310 24.042 35.957 1.00 0.00 C ATOM 399 CZ TYR A 28 16.035 24.085 37.341 1.00 0.00 C ATOM 400 OH TYR A 28 16.411 25.164 38.076 1.00 0.00 O ATOM 0 H TYR A 28 17.421 19.824 35.177 1.00 0.00 H new ATOM 0 HA TYR A 28 14.890 19.019 36.460 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.517 20.750 34.015 1.00 0.00 H new ATOM 0 HB3 TYR A 28 13.953 20.594 34.789 1.00 0.00 H new ATOM 0 HD1 TYR A 28 14.487 21.045 37.666 1.00 0.00 H new ATOM 0 HD2 TYR A 28 16.185 22.870 34.157 1.00 0.00 H new ATOM 0 HE1 TYR A 28 15.132 23.043 39.017 1.00 0.00 H new ATOM 0 HE2 TYR A 28 16.787 24.882 35.474 1.00 0.00 H new ATOM 0 HH TYR A 28 16.859 25.815 37.496 1.00 0.00 H new ATOM 410 N GLY A 29 16.168 17.724 33.775 1.00 0.00 N ATOM 411 CA GLY A 29 16.029 16.764 32.666 1.00 0.00 C ATOM 412 C GLY A 29 15.919 17.410 31.277 1.00 0.00 C ATOM 413 O GLY A 29 15.458 16.766 30.331 1.00 0.00 O ATOM 0 H GLY A 29 17.130 18.029 33.924 1.00 0.00 H new ATOM 0 HA2 GLY A 29 16.887 16.092 32.674 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.144 16.152 32.840 1.00 0.00 H new ATOM 417 N LEU A 30 16.309 18.683 31.154 1.00 0.00 N ATOM 418 CA LEU A 30 16.394 19.411 29.892 1.00 0.00 C ATOM 419 C LEU A 30 17.758 19.145 29.296 1.00 0.00 C ATOM 420 O LEU A 30 18.768 19.663 29.754 1.00 0.00 O ATOM 421 CB LEU A 30 16.341 20.918 30.085 1.00 0.00 C ATOM 422 CG LEU A 30 14.978 21.527 30.351 1.00 0.00 C ATOM 423 CD1 LEU A 30 14.529 20.934 31.639 1.00 0.00 C ATOM 424 CD2 LEU A 30 15.247 22.989 30.592 1.00 0.00 C ATOM 0 H LEU A 30 16.582 19.249 31.957 1.00 0.00 H new ATOM 0 HA LEU A 30 15.558 19.084 29.274 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.997 21.177 30.916 1.00 0.00 H new ATOM 0 HB3 LEU A 30 16.755 21.389 29.194 1.00 0.00 H new ATOM 0 HG LEU A 30 14.252 21.367 29.554 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.546 21.328 31.898 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.470 19.850 31.540 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.241 21.188 32.424 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.307 23.504 30.793 1.00 0.00 H new ATOM 0 HD22 LEU A 30 15.912 23.100 31.448 1.00 0.00 H new ATOM 0 HD23 LEU A 30 15.717 23.423 29.709 1.00 0.00 H new ATOM 436 N THR A 31 17.780 18.364 28.244 1.00 0.00 N ATOM 437 CA THR A 31 18.996 18.101 27.509 1.00 0.00 C ATOM 438 C THR A 31 19.270 19.281 26.577 1.00 0.00 C ATOM 439 O THR A 31 18.373 19.785 25.903 1.00 0.00 O ATOM 440 CB THR A 31 18.929 16.789 26.732 1.00 0.00 C ATOM 441 OG1 THR A 31 18.873 15.693 27.610 1.00 0.00 O ATOM 442 CG2 THR A 31 20.214 16.691 25.941 1.00 0.00 C ATOM 0 H THR A 31 16.956 17.892 27.872 1.00 0.00 H new ATOM 0 HA THR A 31 19.817 17.991 28.218 1.00 0.00 H new ATOM 0 HB THR A 31 18.043 16.773 26.098 1.00 0.00 H new ATOM 0 HG1 THR A 31 18.829 14.862 27.093 1.00 0.00 H new ATOM 0 HG21 THR A 31 20.217 15.766 25.365 1.00 0.00 H new ATOM 0 HG22 THR A 31 20.290 17.541 25.263 1.00 0.00 H new ATOM 0 HG23 THR A 31 21.063 16.695 26.624 1.00 0.00 H new ATOM 450 N TYR A 32 20.530 19.690 26.503 1.00 0.00 N ATOM 451 CA TYR A 32 21.020 20.787 25.689 1.00 0.00 C ATOM 452 C TYR A 32 22.461 20.529 25.194 1.00 0.00 C ATOM 453 O TYR A 32 23.217 19.762 25.796 1.00 0.00 O ATOM 454 CB TYR A 32 20.859 22.059 26.540 1.00 0.00 C ATOM 455 CG TYR A 32 21.318 21.930 27.991 1.00 0.00 C ATOM 456 CD1 TYR A 32 22.672 21.713 28.244 1.00 0.00 C ATOM 457 CD2 TYR A 32 20.418 21.909 29.078 1.00 0.00 C ATOM 458 CE1 TYR A 32 23.152 21.634 29.561 1.00 0.00 C ATOM 459 CE2 TYR A 32 20.847 21.708 30.397 1.00 0.00 C ATOM 460 CZ TYR A 32 22.246 21.615 30.643 1.00 0.00 C ATOM 461 OH TYR A 32 22.761 21.438 31.885 1.00 0.00 O ATOM 0 H TYR A 32 21.273 19.240 27.038 1.00 0.00 H new ATOM 0 HA TYR A 32 20.450 20.899 24.767 1.00 0.00 H new ATOM 0 HB2 TYR A 32 21.419 22.866 26.068 1.00 0.00 H new ATOM 0 HB3 TYR A 32 19.809 22.352 26.532 1.00 0.00 H new ATOM 0 HD1 TYR A 32 23.359 21.605 27.418 1.00 0.00 H new ATOM 0 HD2 TYR A 32 19.365 22.052 28.887 1.00 0.00 H new ATOM 0 HE1 TYR A 32 24.215 21.588 29.746 1.00 0.00 H new ATOM 0 HE2 TYR A 32 20.135 21.626 31.205 1.00 0.00 H new ATOM 0 HH TYR A 32 22.681 22.272 32.394 1.00 0.00 H new ATOM 471 N ARG A 33 22.880 21.188 24.105 1.00 0.00 N ATOM 472 CA ARG A 33 24.260 21.158 23.568 1.00 0.00 C ATOM 473 C ARG A 33 25.001 22.363 24.121 1.00 0.00 C ATOM 474 O ARG A 33 24.553 23.484 23.902 1.00 0.00 O ATOM 475 CB ARG A 33 24.284 21.274 22.032 1.00 0.00 C ATOM 476 CG ARG A 33 24.298 19.921 21.325 1.00 0.00 C ATOM 477 CD ARG A 33 24.190 20.058 19.800 1.00 0.00 C ATOM 478 NE ARG A 33 22.772 20.033 19.394 1.00 0.00 N ATOM 479 CZ ARG A 33 22.106 20.900 18.651 1.00 0.00 C ATOM 480 NH1 ARG A 33 22.660 21.898 18.023 1.00 0.00 N ATOM 481 NH2 ARG A 33 20.818 20.776 18.506 1.00 0.00 N ATOM 0 H ARG A 33 22.255 21.775 23.553 1.00 0.00 H new ATOM 0 HA ARG A 33 24.716 20.211 23.856 1.00 0.00 H new ATOM 0 HB2 ARG A 33 23.412 21.839 21.703 1.00 0.00 H new ATOM 0 HB3 ARG A 33 25.164 21.843 21.731 1.00 0.00 H new ATOM 0 HG2 ARG A 33 25.218 19.392 21.576 1.00 0.00 H new ATOM 0 HG3 ARG A 33 23.471 19.313 21.692 1.00 0.00 H new ATOM 0 HD2 ARG A 33 24.654 20.990 19.476 1.00 0.00 H new ATOM 0 HD3 ARG A 33 24.731 19.246 19.314 1.00 0.00 H new ATOM 0 HE ARG A 33 22.231 19.237 19.733 1.00 0.00 H new ATOM 0 HH11 ARG A 33 23.667 22.046 18.089 1.00 0.00 H new ATOM 0 HH12 ARG A 33 22.087 22.531 17.465 1.00 0.00 H new ATOM 0 HH21 ARG A 33 20.324 20.011 18.965 1.00 0.00 H new ATOM 0 HH22 ARG A 33 20.303 21.444 17.933 1.00 0.00 H new ATOM 495 N THR A 34 26.102 22.153 24.834 1.00 0.00 N ATOM 496 CA THR A 34 26.858 23.238 25.483 1.00 0.00 C ATOM 497 C THR A 34 28.341 23.135 25.172 1.00 0.00 C ATOM 498 O THR A 34 28.844 22.033 24.955 1.00 0.00 O ATOM 499 CB THR A 34 26.634 23.248 27.006 1.00 0.00 C ATOM 500 OG1 THR A 34 26.759 21.960 27.602 1.00 0.00 O ATOM 501 CG2 THR A 34 25.226 23.774 27.293 1.00 0.00 C ATOM 0 H THR A 34 26.503 21.227 24.983 1.00 0.00 H new ATOM 0 HA THR A 34 26.484 24.178 25.078 1.00 0.00 H new ATOM 0 HB THR A 34 27.406 23.885 27.437 1.00 0.00 H new ATOM 0 HG1 THR A 34 27.409 21.428 27.098 1.00 0.00 H new ATOM 0 HG21 THR A 34 25.054 23.786 28.369 1.00 0.00 H new ATOM 0 HG22 THR A 34 25.128 24.785 26.899 1.00 0.00 H new ATOM 0 HG23 THR A 34 24.491 23.126 26.816 1.00 0.00 H new ATOM 509 N CYS A 35 29.036 24.276 25.182 1.00 0.00 N ATOM 510 CA CYS A 35 30.488 24.365 25.015 1.00 0.00 C ATOM 511 C CYS A 35 31.201 23.761 26.242 1.00 0.00 C ATOM 512 O CYS A 35 31.642 24.479 27.144 1.00 0.00 O ATOM 513 CB CYS A 35 30.902 25.847 24.843 1.00 0.00 C ATOM 514 SG CYS A 35 30.297 26.712 23.379 1.00 0.00 S ATOM 0 H CYS A 35 28.593 25.186 25.310 1.00 0.00 H new ATOM 0 HA CYS A 35 30.779 23.804 24.127 1.00 0.00 H new ATOM 0 HB2 CYS A 35 30.564 26.396 25.722 1.00 0.00 H new ATOM 0 HB3 CYS A 35 31.991 25.894 24.837 1.00 0.00 H new ATOM 519 N ASN A 36 31.268 22.435 26.329 1.00 0.00 N ATOM 520 CA ASN A 36 31.932 21.785 27.441 1.00 0.00 C ATOM 521 C ASN A 36 33.448 21.909 27.277 1.00 0.00 C ATOM 522 O ASN A 36 33.975 21.810 26.170 1.00 0.00 O ATOM 523 CB ASN A 36 31.468 20.317 27.538 1.00 0.00 C ATOM 524 CG ASN A 36 31.647 19.837 28.964 1.00 0.00 C ATOM 525 OD1 ASN A 36 30.863 20.185 29.836 1.00 0.00 O ATOM 526 ND2 ASN A 36 32.689 19.092 29.261 1.00 0.00 N ATOM 0 H ASN A 36 30.870 21.796 25.641 1.00 0.00 H new ATOM 0 HA ASN A 36 31.664 22.272 28.378 1.00 0.00 H new ATOM 0 HB2 ASN A 36 30.423 20.232 27.240 1.00 0.00 H new ATOM 0 HB3 ASN A 36 32.046 19.694 26.855 1.00 0.00 H new ATOM 0 HD21 ASN A 36 32.849 18.800 30.225 1.00 0.00 H new ATOM 0 HD22 ASN A 36 33.338 18.806 28.527 1.00 0.00 H new ATOM 533 N LEU A 37 34.172 22.068 28.386 1.00 0.00 N ATOM 534 CA LEU A 37 35.617 22.121 28.364 1.00 0.00 C ATOM 535 C LEU A 37 36.271 20.821 27.858 1.00 0.00 C ATOM 536 O LEU A 37 37.345 20.907 27.272 1.00 0.00 O ATOM 537 CB LEU A 37 36.060 22.548 29.757 1.00 0.00 C ATOM 538 CG LEU A 37 35.920 24.068 29.882 1.00 0.00 C ATOM 539 CD1 LEU A 37 35.496 24.405 31.292 1.00 0.00 C ATOM 540 CD2 LEU A 37 37.274 24.655 29.565 1.00 0.00 C ATOM 0 H LEU A 37 33.766 22.162 29.317 1.00 0.00 H new ATOM 0 HA LEU A 37 35.962 22.851 27.632 1.00 0.00 H new ATOM 0 HB2 LEU A 37 35.453 22.051 30.514 1.00 0.00 H new ATOM 0 HB3 LEU A 37 37.094 22.250 29.931 1.00 0.00 H new ATOM 0 HG LEU A 37 35.170 24.471 29.202 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.393 25.485 31.393 1.00 0.00 H new ATOM 0 HD12 LEU A 37 34.540 23.928 31.508 1.00 0.00 H new ATOM 0 HD13 LEU A 37 36.248 24.045 31.994 1.00 0.00 H new ATOM 0 HD21 LEU A 37 37.226 25.741 29.641 1.00 0.00 H new ATOM 0 HD22 LEU A 37 38.010 24.274 30.272 1.00 0.00 H new ATOM 0 HD23 LEU A 37 37.564 24.374 28.553 1.00 0.00 H new ATOM 552 N LEU A 38 35.619 19.659 28.051 1.00 0.00 N ATOM 553 CA LEU A 38 36.044 18.303 27.648 1.00 0.00 C ATOM 554 C LEU A 38 34.951 17.568 26.846 1.00 0.00 C ATOM 555 O LEU A 38 33.774 17.901 26.999 1.00 0.00 O ATOM 556 CB LEU A 38 36.398 17.440 28.892 1.00 0.00 C ATOM 557 CG LEU A 38 37.790 17.487 29.482 1.00 0.00 C ATOM 558 CD1 LEU A 38 38.745 16.792 28.552 1.00 0.00 C ATOM 559 CD2 LEU A 38 38.156 18.921 29.644 1.00 0.00 C ATOM 0 H LEU A 38 34.717 19.641 28.527 1.00 0.00 H new ATOM 0 HA LEU A 38 36.923 18.433 27.016 1.00 0.00 H new ATOM 0 HB2 LEU A 38 35.702 17.715 29.684 1.00 0.00 H new ATOM 0 HB3 LEU A 38 36.192 16.401 28.634 1.00 0.00 H new ATOM 0 HG LEU A 38 37.832 16.983 30.448 1.00 0.00 H new ATOM 0 HD11 LEU A 38 39.750 16.823 28.973 1.00 0.00 H new ATOM 0 HD12 LEU A 38 38.437 15.754 28.423 1.00 0.00 H new ATOM 0 HD13 LEU A 38 38.741 17.294 27.585 1.00 0.00 H new ATOM 0 HD21 LEU A 38 39.157 18.995 30.069 1.00 0.00 H new ATOM 0 HD22 LEU A 38 38.137 19.414 28.672 1.00 0.00 H new ATOM 0 HD23 LEU A 38 37.442 19.406 30.310 1.00 0.00 H new ATOM 571 N PRO A 39 35.313 16.546 26.051 1.00 0.00 N ATOM 572 CA PRO A 39 34.372 15.688 25.329 1.00 0.00 C ATOM 573 C PRO A 39 33.700 14.661 26.257 1.00 0.00 C ATOM 574 O PRO A 39 32.498 14.383 26.026 1.00 0.00 O ATOM 575 CB PRO A 39 35.208 15.040 24.224 1.00 0.00 C ATOM 576 CG PRO A 39 36.593 14.913 24.856 1.00 0.00 C ATOM 577 CD PRO A 39 36.679 16.130 25.783 1.00 0.00 C ATOM 0 HA PRO A 39 33.535 16.249 24.913 1.00 0.00 H new ATOM 0 HB2 PRO A 39 34.808 14.068 23.935 1.00 0.00 H new ATOM 0 HB3 PRO A 39 35.232 15.655 23.325 1.00 0.00 H new ATOM 0 HG2 PRO A 39 36.697 13.980 25.409 1.00 0.00 H new ATOM 0 HG3 PRO A 39 37.380 14.927 24.102 1.00 0.00 H new ATOM 0 HD2 PRO A 39 37.195 15.876 26.709 1.00 0.00 H new ATOM 0 HD3 PRO A 39 37.244 16.935 25.314 1.00 0.00 H new TER 585 PRO A 39