USER MOD reduce.3.24.130724 H: found=0, std=0, add=274, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 274 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 NoAdj-H: A 1 SER H1 : A 1 SER N : A 38 GLY C :(NH2R) USER MOD NoAdj-H: A 1 SER H2 : A 1 SER N : A 38 GLY C :(NH2R) USER MOD Single : A 1 SER N :NH3+ -153:sc= -0.134 (180deg=-0.77) USER MOD Single : A 1 SER OG : rot 153:sc= -0.677 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 10 THR OG1 : rot -89:sc= 1.27 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot -176:sc= 0.368 USER MOD Single : A 26 GLN : amide:sc= 1.09 K(o=1.1,f=-0.42) USER MOD Single : A 29 THR OG1 : rot 79:sc= 1.21 USER MOD Single : A 33 LYS NZ :NH3+ 167:sc= -0.0218 (180deg=-0.188) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.319 11.987 1.043 1.00 0.00 N ATOM 2 CA SER A 1 4.619 11.849 0.422 1.00 0.00 C ATOM 3 C SER A 1 4.501 11.162 -0.931 1.00 0.00 C ATOM 4 O SER A 1 4.072 10.009 -1.011 1.00 0.00 O ATOM 5 CB SER A 1 5.563 11.057 1.328 1.00 0.00 C ATOM 6 OG SER A 1 6.851 10.931 0.741 1.00 0.00 O ATOM 0 H3 SER A 1 3.326 12.806 1.684 1.00 0.00 H new ATOM 0 HA SER A 1 5.029 12.848 0.271 1.00 0.00 H new ATOM 0 HB2 SER A 1 5.648 11.555 2.294 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.147 10.067 1.515 1.00 0.00 H new ATOM 0 HG SER A 1 7.524 10.831 1.447 1.00 0.00 H new ATOM 12 N PRO A 2 4.875 11.862 -2.017 1.00 0.00 N ATOM 13 CA PRO A 2 4.838 11.300 -3.369 1.00 0.00 C ATOM 14 C PRO A 2 5.775 10.107 -3.504 1.00 0.00 C ATOM 15 O PRO A 2 5.462 9.135 -4.186 1.00 0.00 O ATOM 16 CB PRO A 2 5.326 12.453 -4.262 1.00 0.00 C ATOM 17 CG PRO A 2 5.164 13.681 -3.436 1.00 0.00 C ATOM 18 CD PRO A 2 5.352 13.254 -2.013 1.00 0.00 C ATOM 0 HA PRO A 2 3.845 10.937 -3.632 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.366 12.310 -4.556 1.00 0.00 H new ATOM 0 HB3 PRO A 2 4.741 12.515 -5.180 1.00 0.00 H new ATOM 0 HG2 PRO A 2 5.897 14.438 -3.716 1.00 0.00 H new ATOM 0 HG3 PRO A 2 4.178 14.122 -3.583 1.00 0.00 H new ATOM 0 HD2 PRO A 2 6.396 13.322 -1.706 1.00 0.00 H new ATOM 0 HD3 PRO A 2 4.777 13.875 -1.326 1.00 0.00 H new ATOM 26 N GLU A 3 6.916 10.187 -2.826 1.00 0.00 N ATOM 27 CA GLU A 3 7.923 9.135 -2.872 1.00 0.00 C ATOM 28 C GLU A 3 7.370 7.846 -2.290 1.00 0.00 C ATOM 29 O GLU A 3 7.533 6.763 -2.868 1.00 0.00 O ATOM 30 CB GLU A 3 9.155 9.570 -2.080 1.00 0.00 C ATOM 31 CG GLU A 3 10.375 8.688 -2.286 1.00 0.00 C ATOM 32 CD GLU A 3 10.894 8.750 -3.703 1.00 0.00 C ATOM 33 OE1 GLU A 3 11.255 9.853 -4.158 1.00 0.00 O ATOM 34 OE2 GLU A 3 10.957 7.702 -4.366 1.00 0.00 O ATOM 0 H GLU A 3 7.167 10.978 -2.233 1.00 0.00 H new ATOM 0 HA GLU A 3 8.200 8.959 -3.911 1.00 0.00 H new ATOM 0 HB2 GLU A 3 9.409 10.593 -2.359 1.00 0.00 H new ATOM 0 HB3 GLU A 3 8.905 9.582 -1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 3 11.163 8.996 -1.599 1.00 0.00 H new ATOM 0 HG3 GLU A 3 10.121 7.657 -2.039 1.00 0.00 H new ATOM 41 N GLU A 4 6.697 7.970 -1.158 1.00 0.00 N ATOM 42 CA GLU A 4 6.119 6.823 -0.494 1.00 0.00 C ATOM 43 C GLU A 4 4.903 6.335 -1.256 1.00 0.00 C ATOM 44 O GLU A 4 4.729 5.139 -1.460 1.00 0.00 O ATOM 45 CB GLU A 4 5.723 7.169 0.946 1.00 0.00 C ATOM 46 CG GLU A 4 6.845 7.776 1.774 1.00 0.00 C ATOM 47 CD GLU A 4 8.073 6.900 1.838 1.00 0.00 C ATOM 48 OE1 GLU A 4 8.131 6.006 2.713 1.00 0.00 O ATOM 49 OE2 GLU A 4 8.999 7.112 1.035 1.00 0.00 O ATOM 0 H GLU A 4 6.539 8.858 -0.682 1.00 0.00 H new ATOM 0 HA GLU A 4 6.869 6.032 -0.468 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.886 7.867 0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.370 6.264 1.441 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.117 8.743 1.352 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.484 7.960 2.786 1.00 0.00 H new ATOM 56 N ARG A 5 4.076 7.276 -1.705 1.00 0.00 N ATOM 57 CA ARG A 5 2.858 6.949 -2.404 1.00 0.00 C ATOM 58 C ARG A 5 3.135 6.196 -3.685 1.00 0.00 C ATOM 59 O ARG A 5 2.516 5.186 -3.943 1.00 0.00 O ATOM 60 CB ARG A 5 2.061 8.213 -2.714 1.00 0.00 C ATOM 61 CG ARG A 5 0.758 7.934 -3.429 1.00 0.00 C ATOM 62 CD ARG A 5 0.035 9.212 -3.820 1.00 0.00 C ATOM 63 NE ARG A 5 -0.645 9.844 -2.687 1.00 0.00 N ATOM 64 CZ ARG A 5 -0.369 11.069 -2.220 1.00 0.00 C ATOM 65 NH1 ARG A 5 0.634 11.782 -2.741 1.00 0.00 N ATOM 66 NH2 ARG A 5 -1.105 11.583 -1.241 1.00 0.00 N ATOM 0 H ARG A 5 4.239 8.276 -1.591 1.00 0.00 H new ATOM 0 HA ARG A 5 2.272 6.304 -1.749 1.00 0.00 H new ATOM 0 HB2 ARG A 5 1.852 8.740 -1.783 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.670 8.878 -3.327 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.955 7.342 -4.323 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.113 7.336 -2.786 1.00 0.00 H new ATOM 0 HD2 ARG A 5 0.751 9.914 -4.247 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -0.695 8.989 -4.598 1.00 0.00 H new ATOM 0 HE ARG A 5 -1.381 9.314 -2.220 1.00 0.00 H new ATOM 0 HH11 ARG A 5 1.195 11.394 -3.499 1.00 0.00 H new ATOM 0 HH12 ARG A 5 0.838 12.714 -2.380 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -1.877 11.045 -0.847 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -0.898 12.515 -0.883 1.00 0.00 H new ATOM 80 N ALA A 6 4.085 6.664 -4.461 1.00 0.00 N ATOM 81 CA ALA A 6 4.376 6.043 -5.741 1.00 0.00 C ATOM 82 C ALA A 6 4.806 4.588 -5.581 1.00 0.00 C ATOM 83 O ALA A 6 4.327 3.712 -6.301 1.00 0.00 O ATOM 84 CB ALA A 6 5.448 6.829 -6.462 1.00 0.00 C ATOM 0 H ALA A 6 4.669 7.469 -4.234 1.00 0.00 H new ATOM 0 HA ALA A 6 3.460 6.050 -6.332 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.662 6.358 -7.421 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.102 7.849 -6.628 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.355 6.847 -5.857 1.00 0.00 H new ATOM 90 N GLN A 7 5.688 4.328 -4.628 1.00 0.00 N ATOM 91 CA GLN A 7 6.167 2.978 -4.394 1.00 0.00 C ATOM 92 C GLN A 7 5.100 2.100 -3.735 1.00 0.00 C ATOM 93 O GLN A 7 4.872 0.962 -4.148 1.00 0.00 O ATOM 94 CB GLN A 7 7.425 3.004 -3.534 1.00 0.00 C ATOM 95 CG GLN A 7 8.041 1.637 -3.328 1.00 0.00 C ATOM 96 CD GLN A 7 9.303 1.680 -2.498 1.00 0.00 C ATOM 97 OE1 GLN A 7 9.463 2.537 -1.630 1.00 0.00 O ATOM 98 NE2 GLN A 7 10.209 0.762 -2.760 1.00 0.00 N ATOM 0 H GLN A 7 6.085 5.033 -4.007 1.00 0.00 H new ATOM 0 HA GLN A 7 6.402 2.543 -5.365 1.00 0.00 H new ATOM 0 HB2 GLN A 7 8.161 3.659 -4.000 1.00 0.00 H new ATOM 0 HB3 GLN A 7 7.183 3.435 -2.563 1.00 0.00 H new ATOM 0 HG2 GLN A 7 7.314 0.986 -2.842 1.00 0.00 H new ATOM 0 HG3 GLN A 7 8.265 1.195 -4.299 1.00 0.00 H new ATOM 0 HE21 GLN A 7 10.037 0.069 -3.488 1.00 0.00 H new ATOM 0 HE22 GLN A 7 11.083 0.744 -2.235 1.00 0.00 H new ATOM 107 N LEU A 8 4.452 2.636 -2.721 1.00 0.00 N ATOM 108 CA LEU A 8 3.460 1.889 -1.967 1.00 0.00 C ATOM 109 C LEU A 8 2.168 1.652 -2.753 1.00 0.00 C ATOM 110 O LEU A 8 1.561 0.587 -2.648 1.00 0.00 O ATOM 111 CB LEU A 8 3.192 2.567 -0.626 1.00 0.00 C ATOM 112 CG LEU A 8 4.393 2.577 0.335 1.00 0.00 C ATOM 113 CD1 LEU A 8 4.078 3.344 1.598 1.00 0.00 C ATOM 114 CD2 LEU A 8 4.821 1.161 0.670 1.00 0.00 C ATOM 0 H LEU A 8 4.594 3.593 -2.397 1.00 0.00 H new ATOM 0 HA LEU A 8 3.875 0.899 -1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.881 3.595 -0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.357 2.063 -0.139 1.00 0.00 H new ATOM 0 HG LEU A 8 5.218 3.081 -0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.946 3.333 2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.828 4.374 1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.232 2.879 2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.672 1.189 1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.994 0.634 1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.106 0.641 -0.245 1.00 0.00 H new ATOM 126 N LEU A 9 1.755 2.631 -3.551 1.00 0.00 N ATOM 127 CA LEU A 9 0.548 2.510 -4.320 1.00 0.00 C ATOM 128 C LEU A 9 0.708 1.477 -5.431 1.00 0.00 C ATOM 129 O LEU A 9 -0.198 0.686 -5.684 1.00 0.00 O ATOM 130 CB LEU A 9 0.153 3.849 -4.899 1.00 0.00 C ATOM 131 CG LEU A 9 -1.164 3.851 -5.613 1.00 0.00 C ATOM 132 CD1 LEU A 9 -2.324 3.767 -4.629 1.00 0.00 C ATOM 133 CD2 LEU A 9 -1.290 5.054 -6.513 1.00 0.00 C ATOM 0 H LEU A 9 2.249 3.515 -3.674 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.244 2.171 -3.653 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.117 4.583 -4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.929 4.174 -5.592 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.205 2.962 -6.243 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.267 3.770 -5.176 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.244 2.847 -4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.293 4.623 -3.956 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.255 5.030 -7.019 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.215 5.964 -5.917 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.491 5.039 -7.254 1.00 0.00 H new ATOM 145 N THR A 10 1.866 1.476 -6.085 1.00 0.00 N ATOM 146 CA THR A 10 2.129 0.506 -7.138 1.00 0.00 C ATOM 147 C THR A 10 2.213 -0.899 -6.551 1.00 0.00 C ATOM 148 O THR A 10 1.823 -1.876 -7.189 1.00 0.00 O ATOM 149 CB THR A 10 3.418 0.834 -7.917 1.00 0.00 C ATOM 150 OG1 THR A 10 4.482 1.130 -7.004 1.00 0.00 O ATOM 151 CG2 THR A 10 3.200 2.018 -8.847 1.00 0.00 C ATOM 0 H THR A 10 2.629 2.129 -5.906 1.00 0.00 H new ATOM 0 HA THR A 10 1.299 0.555 -7.842 1.00 0.00 H new ATOM 0 HB THR A 10 3.685 -0.037 -8.516 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.484 2.089 -6.803 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.123 2.232 -9.386 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.410 1.781 -9.559 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.911 2.891 -8.262 1.00 0.00 H new ATOM 159 N ALA A 11 2.714 -0.984 -5.321 1.00 0.00 N ATOM 160 CA ALA A 11 2.781 -2.243 -4.602 1.00 0.00 C ATOM 161 C ALA A 11 1.374 -2.774 -4.348 1.00 0.00 C ATOM 162 O ALA A 11 1.125 -3.976 -4.428 1.00 0.00 O ATOM 163 CB ALA A 11 3.537 -2.065 -3.301 1.00 0.00 C ATOM 0 H ALA A 11 3.081 -0.186 -4.802 1.00 0.00 H new ATOM 0 HA ALA A 11 3.319 -2.972 -5.208 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.580 -3.017 -2.772 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.550 -1.722 -3.513 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.026 -1.328 -2.681 1.00 0.00 H new ATOM 169 N ALA A 12 0.452 -1.856 -4.064 1.00 0.00 N ATOM 170 CA ALA A 12 -0.947 -2.201 -3.850 1.00 0.00 C ATOM 171 C ALA A 12 -1.529 -2.825 -5.113 1.00 0.00 C ATOM 172 O ALA A 12 -2.295 -3.794 -5.050 1.00 0.00 O ATOM 173 CB ALA A 12 -1.733 -0.956 -3.467 1.00 0.00 C ATOM 0 H ALA A 12 0.654 -0.860 -3.977 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.016 -2.925 -3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.778 -1.220 -3.308 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.322 -0.534 -2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.662 -0.220 -4.268 1.00 0.00 H new ATOM 179 N GLU A 13 -1.154 -2.271 -6.259 1.00 0.00 N ATOM 180 CA GLU A 13 -1.600 -2.787 -7.544 1.00 0.00 C ATOM 181 C GLU A 13 -0.951 -4.133 -7.829 1.00 0.00 C ATOM 182 O GLU A 13 -1.606 -5.068 -8.286 1.00 0.00 O ATOM 183 CB GLU A 13 -1.232 -1.818 -8.660 1.00 0.00 C ATOM 184 CG GLU A 13 -1.774 -0.419 -8.482 1.00 0.00 C ATOM 185 CD GLU A 13 -1.422 0.467 -9.647 1.00 0.00 C ATOM 186 OE1 GLU A 13 -0.295 0.988 -9.684 1.00 0.00 O ATOM 187 OE2 GLU A 13 -2.273 0.634 -10.547 1.00 0.00 O ATOM 0 H GLU A 13 -0.539 -1.460 -6.323 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.683 -2.905 -7.503 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.146 -1.766 -8.735 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.598 -2.218 -9.606 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.857 -0.460 -8.370 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.375 0.012 -7.564 1.00 0.00 H new ATOM 194 N LYS A 14 0.334 -4.229 -7.520 1.00 0.00 N ATOM 195 CA LYS A 14 1.101 -5.439 -7.768 1.00 0.00 C ATOM 196 C LYS A 14 0.568 -6.597 -6.944 1.00 0.00 C ATOM 197 O LYS A 14 0.531 -7.728 -7.409 1.00 0.00 O ATOM 198 CB LYS A 14 2.582 -5.203 -7.452 1.00 0.00 C ATOM 199 CG LYS A 14 3.487 -6.395 -7.757 1.00 0.00 C ATOM 200 CD LYS A 14 3.476 -6.753 -9.240 1.00 0.00 C ATOM 201 CE LYS A 14 4.018 -5.618 -10.098 1.00 0.00 C ATOM 202 NZ LYS A 14 4.003 -5.959 -11.542 1.00 0.00 N ATOM 0 H LYS A 14 0.871 -3.474 -7.093 1.00 0.00 H new ATOM 0 HA LYS A 14 1.000 -5.695 -8.823 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.930 -4.342 -8.022 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.680 -4.948 -6.397 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.506 -6.166 -7.446 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.162 -7.256 -7.173 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.074 -7.649 -9.402 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.458 -6.989 -9.550 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.422 -4.721 -9.931 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.038 -5.386 -9.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.380 -5.160 -12.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.592 -6.800 -11.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.027 -6.156 -11.842 1.00 0.00 H new ATOM 216 N ALA A 15 0.137 -6.304 -5.729 1.00 0.00 N ATOM 217 CA ALA A 15 -0.412 -7.320 -4.848 1.00 0.00 C ATOM 218 C ALA A 15 -1.651 -7.948 -5.459 1.00 0.00 C ATOM 219 O ALA A 15 -1.865 -9.160 -5.361 1.00 0.00 O ATOM 220 CB ALA A 15 -0.742 -6.717 -3.508 1.00 0.00 C ATOM 0 H ALA A 15 0.157 -5.366 -5.329 1.00 0.00 H new ATOM 0 HA ALA A 15 0.336 -8.101 -4.712 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.153 -7.486 -2.854 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.163 -6.306 -3.061 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.476 -5.921 -3.638 1.00 0.00 H new ATOM 226 N ASP A 16 -2.466 -7.120 -6.093 1.00 0.00 N ATOM 227 CA ASP A 16 -3.665 -7.597 -6.760 1.00 0.00 C ATOM 228 C ASP A 16 -3.275 -8.418 -7.973 1.00 0.00 C ATOM 229 O ASP A 16 -3.879 -9.444 -8.264 1.00 0.00 O ATOM 230 CB ASP A 16 -4.548 -6.432 -7.182 1.00 0.00 C ATOM 231 CG ASP A 16 -5.910 -6.886 -7.655 1.00 0.00 C ATOM 232 OD1 ASP A 16 -6.039 -7.274 -8.831 1.00 0.00 O ATOM 233 OD2 ASP A 16 -6.860 -6.858 -6.851 1.00 0.00 O ATOM 0 H ASP A 16 -2.318 -6.113 -6.159 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.230 -8.218 -6.065 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.667 -5.747 -6.343 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.055 -5.876 -7.980 1.00 0.00 H new ATOM 238 N GLU A 17 -2.245 -7.956 -8.667 1.00 0.00 N ATOM 239 CA GLU A 17 -1.710 -8.651 -9.836 1.00 0.00 C ATOM 240 C GLU A 17 -1.120 -10.008 -9.435 1.00 0.00 C ATOM 241 O GLU A 17 -0.984 -10.912 -10.259 1.00 0.00 O ATOM 242 CB GLU A 17 -0.634 -7.796 -10.509 1.00 0.00 C ATOM 243 CG GLU A 17 -1.137 -6.457 -11.036 1.00 0.00 C ATOM 244 CD GLU A 17 -2.188 -6.609 -12.112 1.00 0.00 C ATOM 245 OE1 GLU A 17 -1.881 -7.207 -13.164 1.00 0.00 O ATOM 246 OE2 GLU A 17 -3.326 -6.124 -11.921 1.00 0.00 O ATOM 0 H GLU A 17 -1.755 -7.091 -8.439 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.526 -8.820 -10.539 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.169 -7.614 -9.794 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.203 -8.360 -11.336 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.550 -5.879 -10.210 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.296 -5.889 -11.434 1.00 0.00 H new ATOM 253 N LEU A 18 -0.757 -10.127 -8.165 1.00 0.00 N ATOM 254 CA LEU A 18 -0.218 -11.363 -7.622 1.00 0.00 C ATOM 255 C LEU A 18 -1.342 -12.314 -7.230 1.00 0.00 C ATOM 256 O LEU A 18 -1.121 -13.506 -7.029 1.00 0.00 O ATOM 257 CB LEU A 18 0.656 -11.065 -6.410 1.00 0.00 C ATOM 258 CG LEU A 18 1.940 -10.290 -6.696 1.00 0.00 C ATOM 259 CD1 LEU A 18 2.690 -10.035 -5.413 1.00 0.00 C ATOM 260 CD2 LEU A 18 2.819 -11.042 -7.687 1.00 0.00 C ATOM 0 H LEU A 18 -0.828 -9.370 -7.485 1.00 0.00 H new ATOM 0 HA LEU A 18 0.388 -11.841 -8.392 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.065 -10.500 -5.689 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.921 -12.009 -5.935 1.00 0.00 H new ATOM 0 HG LEU A 18 1.671 -9.332 -7.142 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.604 -9.482 -5.630 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.065 -9.453 -4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.944 -10.986 -4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.728 -10.470 -7.875 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.082 -12.016 -7.274 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.277 -11.179 -8.623 1.00 0.00 H new ATOM 272 N GLY A 19 -2.549 -11.774 -7.120 1.00 0.00 N ATOM 273 CA GLY A 19 -3.703 -12.578 -6.767 1.00 0.00 C ATOM 274 C GLY A 19 -3.704 -13.000 -5.314 1.00 0.00 C ATOM 275 O GLY A 19 -4.372 -13.964 -4.943 1.00 0.00 O ATOM 0 H GLY A 19 -2.750 -10.785 -7.270 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.611 -12.013 -6.977 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.728 -13.466 -7.398 1.00 0.00 H new ATOM 279 N CYS A 20 -2.962 -12.284 -4.490 1.00 0.00 N ATOM 280 CA CYS A 20 -2.878 -12.600 -3.079 1.00 0.00 C ATOM 281 C CYS A 20 -3.608 -11.542 -2.251 1.00 0.00 C ATOM 282 O CYS A 20 -3.099 -10.438 -2.059 1.00 0.00 O ATOM 283 CB CYS A 20 -1.415 -12.702 -2.647 1.00 0.00 C ATOM 284 SG CYS A 20 -1.176 -13.173 -0.921 1.00 0.00 S ATOM 0 H CYS A 20 -2.407 -11.477 -4.776 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.359 -13.563 -2.908 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.912 -13.431 -3.282 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.931 -11.741 -2.819 1.00 0.00 H new ATOM 0 HG CYS A 20 0.093 -13.158 -0.639 1.00 0.00 H new ATOM 290 N PRO A 21 -4.820 -11.864 -1.759 1.00 0.00 N ATOM 291 CA PRO A 21 -5.634 -10.925 -0.978 1.00 0.00 C ATOM 292 C PRO A 21 -4.975 -10.514 0.345 1.00 0.00 C ATOM 293 O PRO A 21 -5.053 -9.351 0.747 1.00 0.00 O ATOM 294 CB PRO A 21 -6.938 -11.694 -0.719 1.00 0.00 C ATOM 295 CG PRO A 21 -6.586 -13.129 -0.904 1.00 0.00 C ATOM 296 CD PRO A 21 -5.495 -13.164 -1.933 1.00 0.00 C ATOM 0 HA PRO A 21 -5.779 -9.987 -1.514 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.313 -11.507 0.287 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.721 -11.388 -1.413 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.250 -13.571 0.034 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.452 -13.702 -1.235 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.812 -13.997 -1.766 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.896 -13.277 -2.940 1.00 0.00 H new ATOM 304 N GLU A 22 -4.308 -11.462 1.005 1.00 0.00 N ATOM 305 CA GLU A 22 -3.661 -11.182 2.287 1.00 0.00 C ATOM 306 C GLU A 22 -2.572 -10.120 2.124 1.00 0.00 C ATOM 307 O GLU A 22 -2.499 -9.166 2.900 1.00 0.00 O ATOM 308 CB GLU A 22 -3.078 -12.478 2.880 1.00 0.00 C ATOM 309 CG GLU A 22 -2.288 -12.290 4.172 1.00 0.00 C ATOM 310 CD GLU A 22 -3.066 -11.556 5.245 1.00 0.00 C ATOM 311 OE1 GLU A 22 -4.012 -12.139 5.814 1.00 0.00 O ATOM 312 OE2 GLU A 22 -2.726 -10.393 5.534 1.00 0.00 O ATOM 0 H GLU A 22 -4.202 -12.422 0.677 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.409 -10.791 2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.895 -13.175 3.068 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.428 -12.941 2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.989 -13.267 4.553 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.373 -11.739 3.954 1.00 0.00 H new ATOM 319 N GLU A 23 -1.761 -10.264 1.092 1.00 0.00 N ATOM 320 CA GLU A 23 -0.710 -9.299 0.821 1.00 0.00 C ATOM 321 C GLU A 23 -1.292 -8.025 0.247 1.00 0.00 C ATOM 322 O GLU A 23 -0.791 -6.930 0.505 1.00 0.00 O ATOM 323 CB GLU A 23 0.340 -9.880 -0.113 1.00 0.00 C ATOM 324 CG GLU A 23 1.136 -11.008 0.509 1.00 0.00 C ATOM 325 CD GLU A 23 2.152 -11.586 -0.438 1.00 0.00 C ATOM 326 OE1 GLU A 23 1.788 -12.470 -1.229 1.00 0.00 O ATOM 327 OE2 GLU A 23 3.323 -11.163 -0.389 1.00 0.00 O ATOM 0 H GLU A 23 -1.809 -11.038 0.429 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.221 -9.059 1.765 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.149 -10.245 -1.016 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.023 -9.088 -0.418 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.643 -10.641 1.402 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.454 -11.795 0.830 1.00 0.00 H new ATOM 334 N ARG A 24 -2.364 -8.171 -0.526 1.00 0.00 N ATOM 335 CA ARG A 24 -3.031 -7.034 -1.127 1.00 0.00 C ATOM 336 C ARG A 24 -3.530 -6.091 -0.052 1.00 0.00 C ATOM 337 O ARG A 24 -3.306 -4.895 -0.125 1.00 0.00 O ATOM 338 CB ARG A 24 -4.195 -7.506 -2.014 1.00 0.00 C ATOM 339 CG ARG A 24 -4.924 -6.384 -2.729 1.00 0.00 C ATOM 340 CD ARG A 24 -5.967 -6.916 -3.700 1.00 0.00 C ATOM 341 NE ARG A 24 -7.009 -7.694 -3.030 1.00 0.00 N ATOM 342 CZ ARG A 24 -7.984 -8.357 -3.667 1.00 0.00 C ATOM 343 NH1 ARG A 24 -8.074 -8.316 -4.994 1.00 0.00 N ATOM 344 NH2 ARG A 24 -8.878 -9.045 -2.971 1.00 0.00 N ATOM 0 H ARG A 24 -2.787 -9.072 -0.748 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.316 -6.499 -1.752 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.811 -8.206 -2.756 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.908 -8.053 -1.398 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.407 -5.739 -1.995 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.204 -5.769 -3.270 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.425 -6.081 -4.230 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.478 -7.539 -4.449 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.992 -7.735 -2.011 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.398 -7.777 -5.535 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.819 -8.824 -5.471 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.823 -9.069 -1.953 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.621 -9.550 -3.454 1.00 0.00 H new ATOM 358 N ALA A 25 -4.145 -6.641 0.973 1.00 0.00 N ATOM 359 CA ALA A 25 -4.654 -5.836 2.067 1.00 0.00 C ATOM 360 C ALA A 25 -3.529 -5.067 2.746 1.00 0.00 C ATOM 361 O ALA A 25 -3.675 -3.885 3.067 1.00 0.00 O ATOM 362 CB ALA A 25 -5.371 -6.710 3.070 1.00 0.00 C ATOM 0 H ALA A 25 -4.306 -7.643 1.073 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.361 -5.114 1.659 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.748 -6.093 3.886 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.204 -7.215 2.582 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.678 -7.452 3.466 1.00 0.00 H new ATOM 368 N GLN A 26 -2.398 -5.733 2.933 1.00 0.00 N ATOM 369 CA GLN A 26 -1.249 -5.126 3.595 1.00 0.00 C ATOM 370 C GLN A 26 -0.649 -4.013 2.744 1.00 0.00 C ATOM 371 O GLN A 26 -0.334 -2.931 3.244 1.00 0.00 O ATOM 372 CB GLN A 26 -0.183 -6.183 3.864 1.00 0.00 C ATOM 373 CG GLN A 26 -0.656 -7.339 4.722 1.00 0.00 C ATOM 374 CD GLN A 26 0.371 -8.446 4.802 1.00 0.00 C ATOM 375 OE1 GLN A 26 1.579 -8.200 4.726 1.00 0.00 O ATOM 376 NE2 GLN A 26 -0.092 -9.668 4.947 1.00 0.00 N ATOM 0 H GLN A 26 -2.250 -6.697 2.635 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.593 -4.699 4.537 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.173 -6.575 2.911 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.668 -5.708 4.351 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.878 -6.978 5.726 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.585 -7.736 4.314 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.098 -9.829 5.006 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.554 -10.455 5.001 1.00 0.00 H new ATOM 385 N LEU A 27 -0.526 -4.267 1.454 1.00 0.00 N ATOM 386 CA LEU A 27 0.055 -3.300 0.550 1.00 0.00 C ATOM 387 C LEU A 27 -0.886 -2.134 0.292 1.00 0.00 C ATOM 388 O LEU A 27 -0.444 -0.999 0.114 1.00 0.00 O ATOM 389 CB LEU A 27 0.513 -3.976 -0.729 1.00 0.00 C ATOM 390 CG LEU A 27 1.819 -4.766 -0.577 1.00 0.00 C ATOM 391 CD1 LEU A 27 2.091 -5.603 -1.793 1.00 0.00 C ATOM 392 CD2 LEU A 27 2.982 -3.824 -0.320 1.00 0.00 C ATOM 0 H LEU A 27 -0.822 -5.137 1.011 1.00 0.00 H new ATOM 0 HA LEU A 27 0.938 -2.873 1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.271 -4.650 -1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.645 -3.219 -1.502 1.00 0.00 H new ATOM 0 HG LEU A 27 1.709 -5.433 0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.023 -6.151 -1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.273 -6.308 -1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.175 -4.958 -2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.901 -4.401 -0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.082 -3.132 -1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.799 -3.262 0.596 1.00 0.00 H new ATOM 404 N LEU A 28 -2.186 -2.405 0.290 1.00 0.00 N ATOM 405 CA LEU A 28 -3.174 -1.348 0.174 1.00 0.00 C ATOM 406 C LEU A 28 -3.136 -0.456 1.402 1.00 0.00 C ATOM 407 O LEU A 28 -3.407 0.742 1.319 1.00 0.00 O ATOM 408 CB LEU A 28 -4.576 -1.909 -0.031 1.00 0.00 C ATOM 409 CG LEU A 28 -5.018 -2.054 -1.486 1.00 0.00 C ATOM 410 CD1 LEU A 28 -4.195 -3.090 -2.214 1.00 0.00 C ATOM 411 CD2 LEU A 28 -6.492 -2.384 -1.563 1.00 0.00 C ATOM 0 H LEU A 28 -2.576 -3.344 0.367 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.924 -0.755 -0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.631 -2.887 0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.286 -1.262 0.484 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.852 -1.098 -1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.537 -3.167 -3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.145 -2.796 -2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.308 -4.056 -1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.789 -2.483 -2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.683 -3.322 -1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.069 -1.585 -1.097 1.00 0.00 H new ATOM 423 N THR A 29 -2.802 -1.048 2.547 1.00 0.00 N ATOM 424 CA THR A 29 -2.664 -0.290 3.776 1.00 0.00 C ATOM 425 C THR A 29 -1.501 0.689 3.636 1.00 0.00 C ATOM 426 O THR A 29 -1.615 1.858 3.991 1.00 0.00 O ATOM 427 CB THR A 29 -2.411 -1.217 4.989 1.00 0.00 C ATOM 428 OG1 THR A 29 -3.451 -2.200 5.075 1.00 0.00 O ATOM 429 CG2 THR A 29 -2.370 -0.419 6.285 1.00 0.00 C ATOM 0 H THR A 29 -2.624 -2.048 2.643 1.00 0.00 H new ATOM 0 HA THR A 29 -3.595 0.249 3.950 1.00 0.00 H new ATOM 0 HB THR A 29 -1.447 -1.706 4.847 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.284 -2.911 4.421 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.191 -1.094 7.122 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.568 0.317 6.234 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.322 0.092 6.428 1.00 0.00 H new ATOM 437 N ALA A 30 -0.396 0.200 3.081 1.00 0.00 N ATOM 438 CA ALA A 30 0.781 1.020 2.852 1.00 0.00 C ATOM 439 C ALA A 30 0.476 2.139 1.859 1.00 0.00 C ATOM 440 O ALA A 30 0.906 3.273 2.043 1.00 0.00 O ATOM 441 CB ALA A 30 1.926 0.158 2.365 1.00 0.00 C ATOM 0 H ALA A 30 -0.295 -0.769 2.780 1.00 0.00 H new ATOM 0 HA ALA A 30 1.074 1.484 3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.804 0.781 2.196 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.157 -0.598 3.115 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.643 -0.330 1.433 1.00 0.00 H new ATOM 447 N ALA A 31 -0.292 1.813 0.820 1.00 0.00 N ATOM 448 CA ALA A 31 -0.706 2.801 -0.179 1.00 0.00 C ATOM 449 C ALA A 31 -1.510 3.917 0.486 1.00 0.00 C ATOM 450 O ALA A 31 -1.340 5.099 0.174 1.00 0.00 O ATOM 451 CB ALA A 31 -1.544 2.128 -1.253 1.00 0.00 C ATOM 0 H ALA A 31 -0.641 0.870 0.647 1.00 0.00 H new ATOM 0 HA ALA A 31 0.183 3.234 -0.638 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.849 2.868 -1.993 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.956 1.350 -1.739 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.429 1.683 -0.798 1.00 0.00 H new ATOM 457 N GLU A 32 -2.368 3.528 1.418 1.00 0.00 N ATOM 458 CA GLU A 32 -3.198 4.467 2.153 1.00 0.00 C ATOM 459 C GLU A 32 -2.345 5.288 3.127 1.00 0.00 C ATOM 460 O GLU A 32 -2.525 6.501 3.258 1.00 0.00 O ATOM 461 CB GLU A 32 -4.277 3.695 2.909 1.00 0.00 C ATOM 462 CG GLU A 32 -5.295 4.558 3.622 1.00 0.00 C ATOM 463 CD GLU A 32 -6.359 3.724 4.288 1.00 0.00 C ATOM 464 OE1 GLU A 32 -7.256 3.225 3.578 1.00 0.00 O ATOM 465 OE2 GLU A 32 -6.298 3.546 5.524 1.00 0.00 O ATOM 0 H GLU A 32 -2.507 2.553 1.685 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.670 5.157 1.454 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.800 3.047 2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.795 3.047 3.641 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.793 5.172 4.369 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.759 5.239 2.909 1.00 0.00 H new ATOM 472 N LYS A 33 -1.398 4.618 3.782 1.00 0.00 N ATOM 473 CA LYS A 33 -0.487 5.274 4.719 1.00 0.00 C ATOM 474 C LYS A 33 0.339 6.326 4.002 1.00 0.00 C ATOM 475 O LYS A 33 0.559 7.422 4.518 1.00 0.00 O ATOM 476 CB LYS A 33 0.445 4.244 5.375 1.00 0.00 C ATOM 477 CG LYS A 33 -0.246 3.290 6.339 1.00 0.00 C ATOM 478 CD LYS A 33 -0.865 4.026 7.515 1.00 0.00 C ATOM 479 CE LYS A 33 -1.527 3.062 8.488 1.00 0.00 C ATOM 480 NZ LYS A 33 -0.549 2.130 9.108 1.00 0.00 N ATOM 0 H LYS A 33 -1.241 3.615 3.680 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.083 5.755 5.494 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.930 3.661 4.592 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.232 4.775 5.911 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.020 2.736 5.809 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.475 2.559 6.706 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.096 4.598 8.034 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.602 4.741 7.151 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.033 3.628 9.270 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.292 2.488 7.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.993 1.646 9.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.247 1.425 8.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.279 2.665 9.439 1.00 0.00 H new ATOM 494 N ALA A 34 0.782 5.983 2.805 1.00 0.00 N ATOM 495 CA ALA A 34 1.571 6.876 1.983 1.00 0.00 C ATOM 496 C ALA A 34 0.800 8.143 1.664 1.00 0.00 C ATOM 497 O ALA A 34 1.361 9.245 1.664 1.00 0.00 O ATOM 498 CB ALA A 34 1.967 6.177 0.707 1.00 0.00 C ATOM 0 H ALA A 34 0.603 5.075 2.377 1.00 0.00 H new ATOM 0 HA ALA A 34 2.467 7.154 2.537 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.561 6.853 0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.556 5.291 0.945 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.071 5.881 0.161 1.00 0.00 H new ATOM 504 N ASP A 35 -0.488 7.983 1.397 1.00 0.00 N ATOM 505 CA ASP A 35 -1.347 9.111 1.092 1.00 0.00 C ATOM 506 C ASP A 35 -1.502 10.010 2.303 1.00 0.00 C ATOM 507 O ASP A 35 -1.443 11.234 2.189 1.00 0.00 O ATOM 508 CB ASP A 35 -2.716 8.644 0.614 1.00 0.00 C ATOM 509 CG ASP A 35 -3.666 9.802 0.422 1.00 0.00 C ATOM 510 OD1 ASP A 35 -3.507 10.543 -0.568 1.00 0.00 O ATOM 511 OD2 ASP A 35 -4.565 9.985 1.265 1.00 0.00 O ATOM 0 H ASP A 35 -0.960 7.079 1.386 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.875 9.678 0.290 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.608 8.102 -0.326 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.135 7.946 1.338 1.00 0.00 H new ATOM 516 N GLU A 36 -1.690 9.394 3.465 1.00 0.00 N ATOM 517 CA GLU A 36 -1.832 10.130 4.716 1.00 0.00 C ATOM 518 C GLU A 36 -0.566 10.918 5.026 1.00 0.00 C ATOM 519 O GLU A 36 -0.620 11.994 5.615 1.00 0.00 O ATOM 520 CB GLU A 36 -2.138 9.178 5.865 1.00 0.00 C ATOM 521 CG GLU A 36 -3.431 8.403 5.702 1.00 0.00 C ATOM 522 CD GLU A 36 -3.679 7.473 6.860 1.00 0.00 C ATOM 523 OE1 GLU A 36 -3.172 6.339 6.838 1.00 0.00 O ATOM 524 OE2 GLU A 36 -4.357 7.880 7.821 1.00 0.00 O ATOM 0 H GLU A 36 -1.748 8.381 3.567 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.661 10.828 4.602 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.314 8.471 5.966 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.184 9.749 6.793 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.263 9.101 5.612 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.396 7.829 4.776 1.00 0.00 H new ATOM 531 N LEU A 37 0.574 10.374 4.621 1.00 0.00 N ATOM 532 CA LEU A 37 1.849 11.037 4.831 1.00 0.00 C ATOM 533 C LEU A 37 2.041 12.165 3.827 1.00 0.00 C ATOM 534 O LEU A 37 2.894 13.032 4.010 1.00 0.00 O ATOM 535 CB LEU A 37 2.991 10.042 4.689 1.00 0.00 C ATOM 536 CG LEU A 37 3.021 8.910 5.708 1.00 0.00 C ATOM 537 CD1 LEU A 37 4.235 8.050 5.479 1.00 0.00 C ATOM 538 CD2 LEU A 37 3.016 9.457 7.126 1.00 0.00 C ATOM 0 H LEU A 37 0.639 9.474 4.145 1.00 0.00 H new ATOM 0 HA LEU A 37 1.850 11.452 5.839 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.944 9.605 3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.932 10.588 4.754 1.00 0.00 H new ATOM 0 HG LEU A 37 2.125 8.302 5.580 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.252 7.242 6.210 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.199 7.629 4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.135 8.655 5.586 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.038 8.630 7.835 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.893 10.087 7.276 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.114 10.048 7.285 1.00 0.00 H new ATOM 550 N GLY A 38 1.228 12.155 2.776 1.00 0.00 N ATOM 551 CA GLY A 38 1.325 13.165 1.740 1.00 0.00 C ATOM 552 C GLY A 38 2.665 13.137 1.029 1.00 0.00 C ATOM 553 O GLY A 38 3.100 14.142 0.473 1.00 0.00 O ATOM 0 H GLY A 38 0.498 11.459 2.623 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.528 13.013 1.013 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.171 14.150 2.181 1.00 0.00 H new TER 557 GLY A 38