USER MOD reduce.3.24.130724 H: found=0, std=0, add=274, rem=0, adj=7 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+ -165:sc= -0.197 (180deg=-0.288) USER MOD Single : A 1 SER OG : rot -158:sc= 0.45 USER MOD Single : A 7 GLN : amide:sc= -0.0746 X(o=-0.075,f=-0.096) USER MOD Single : A 10 THR OG1 : rot -82:sc= 1.27 USER MOD Single : A 14 LYS NZ :NH3+ -162:sc= -0.0464 (180deg=-0.387) USER MOD Single : A 20 CYS SG : rot 171:sc= -0.0442 USER MOD Single : A 26 GLN : amide:sc=-0.00116 X(o=-0.0012,f=-0.48) USER MOD Single : A 29 THR OG1 : rot -79:sc= 1.13 USER MOD Single : A 33 LYS NZ :NH3+ -160:sc= -0.0553 (180deg=-0.524) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.137 10.666 1.985 1.00 0.00 N ATOM 2 CA SER A 1 4.150 10.244 1.031 1.00 0.00 C ATOM 3 C SER A 1 3.498 9.817 -0.296 1.00 0.00 C ATOM 4 O SER A 1 2.992 8.700 -0.410 1.00 0.00 O ATOM 5 CB SER A 1 4.946 9.078 1.615 1.00 0.00 C ATOM 6 OG SER A 1 5.546 9.428 2.852 1.00 0.00 O ATOM 0 H3 SER A 1 3.589 11.182 2.766 1.00 0.00 H new ATOM 0 HA SER A 1 4.819 11.082 0.834 1.00 0.00 H new ATOM 0 HB2 SER A 1 4.287 8.221 1.758 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.718 8.772 0.908 1.00 0.00 H new ATOM 0 HG SER A 1 6.301 8.829 3.031 1.00 0.00 H new ATOM 12 N PRO A 2 3.494 10.706 -1.314 1.00 0.00 N ATOM 13 CA PRO A 2 2.867 10.425 -2.615 1.00 0.00 C ATOM 14 C PRO A 2 3.540 9.273 -3.368 1.00 0.00 C ATOM 15 O PRO A 2 2.862 8.385 -3.891 1.00 0.00 O ATOM 16 CB PRO A 2 3.039 11.738 -3.396 1.00 0.00 C ATOM 17 CG PRO A 2 3.354 12.767 -2.364 1.00 0.00 C ATOM 18 CD PRO A 2 4.092 12.047 -1.279 1.00 0.00 C ATOM 0 HA PRO A 2 1.830 10.114 -2.493 1.00 0.00 H new ATOM 0 HB2 PRO A 2 3.841 11.658 -4.130 1.00 0.00 H new ATOM 0 HB3 PRO A 2 2.131 11.993 -3.943 1.00 0.00 H new ATOM 0 HG2 PRO A 2 3.962 13.568 -2.784 1.00 0.00 H new ATOM 0 HG3 PRO A 2 2.443 13.226 -1.979 1.00 0.00 H new ATOM 0 HD2 PRO A 2 5.165 12.017 -1.471 1.00 0.00 H new ATOM 0 HD3 PRO A 2 3.955 12.526 -0.310 1.00 0.00 H new ATOM 26 N GLU A 3 4.869 9.275 -3.401 1.00 0.00 N ATOM 27 CA GLU A 3 5.612 8.244 -4.115 1.00 0.00 C ATOM 28 C GLU A 3 5.468 6.899 -3.437 1.00 0.00 C ATOM 29 O GLU A 3 5.269 5.880 -4.098 1.00 0.00 O ATOM 30 CB GLU A 3 7.090 8.613 -4.244 1.00 0.00 C ATOM 31 CG GLU A 3 7.342 9.834 -5.103 1.00 0.00 C ATOM 32 CD GLU A 3 6.764 9.687 -6.487 1.00 0.00 C ATOM 33 OE1 GLU A 3 7.241 8.818 -7.251 1.00 0.00 O ATOM 34 OE2 GLU A 3 5.831 10.439 -6.826 1.00 0.00 O ATOM 0 H GLU A 3 5.451 9.976 -2.943 1.00 0.00 H new ATOM 0 HA GLU A 3 5.187 8.174 -5.116 1.00 0.00 H new ATOM 0 HB2 GLU A 3 7.499 8.789 -3.249 1.00 0.00 H new ATOM 0 HB3 GLU A 3 7.631 7.766 -4.665 1.00 0.00 H new ATOM 0 HG2 GLU A 3 6.908 10.710 -4.621 1.00 0.00 H new ATOM 0 HG3 GLU A 3 8.415 10.009 -5.176 1.00 0.00 H new ATOM 41 N GLU A 4 5.557 6.893 -2.118 1.00 0.00 N ATOM 42 CA GLU A 4 5.416 5.660 -1.366 1.00 0.00 C ATOM 43 C GLU A 4 4.007 5.119 -1.497 1.00 0.00 C ATOM 44 O GLU A 4 3.810 3.916 -1.648 1.00 0.00 O ATOM 45 CB GLU A 4 5.769 5.865 0.103 1.00 0.00 C ATOM 46 CG GLU A 4 7.225 6.206 0.344 1.00 0.00 C ATOM 47 CD GLU A 4 7.580 6.204 1.811 1.00 0.00 C ATOM 48 OE1 GLU A 4 7.472 7.266 2.461 1.00 0.00 O ATOM 49 OE2 GLU A 4 7.975 5.135 2.330 1.00 0.00 O ATOM 0 H GLU A 4 5.725 7.723 -1.549 1.00 0.00 H new ATOM 0 HA GLU A 4 6.113 4.933 -1.782 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.147 6.664 0.508 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.522 4.958 0.655 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.855 5.488 -0.181 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.440 7.188 -0.078 1.00 0.00 H new ATOM 56 N ARG A 5 3.028 6.017 -1.471 1.00 0.00 N ATOM 57 CA ARG A 5 1.645 5.634 -1.602 1.00 0.00 C ATOM 58 C ARG A 5 1.404 4.987 -2.949 1.00 0.00 C ATOM 59 O ARG A 5 0.748 3.967 -3.035 1.00 0.00 O ATOM 60 CB ARG A 5 0.743 6.852 -1.446 1.00 0.00 C ATOM 61 CG ARG A 5 -0.731 6.519 -1.460 1.00 0.00 C ATOM 62 CD ARG A 5 -1.585 7.772 -1.388 1.00 0.00 C ATOM 63 NE ARG A 5 -1.303 8.688 -2.493 1.00 0.00 N ATOM 64 CZ ARG A 5 -1.660 9.972 -2.518 1.00 0.00 C ATOM 65 NH1 ARG A 5 -2.360 10.493 -1.510 1.00 0.00 N ATOM 66 NH2 ARG A 5 -1.326 10.736 -3.559 1.00 0.00 N ATOM 0 H ARG A 5 3.178 7.020 -1.359 1.00 0.00 H new ATOM 0 HA ARG A 5 1.410 4.915 -0.817 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.984 7.355 -0.510 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.955 7.556 -2.250 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.971 5.965 -2.368 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.966 5.868 -0.618 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -2.639 7.495 -1.406 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.405 8.280 -0.440 1.00 0.00 H new ATOM 0 HE ARG A 5 -0.799 8.319 -3.299 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -2.624 9.909 -0.717 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -2.632 11.476 -1.532 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -0.798 10.338 -4.335 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -1.599 11.719 -3.579 1.00 0.00 H new ATOM 80 N ALA A 6 1.968 5.574 -3.992 1.00 0.00 N ATOM 81 CA ALA A 6 1.803 5.055 -5.340 1.00 0.00 C ATOM 82 C ALA A 6 2.356 3.640 -5.455 1.00 0.00 C ATOM 83 O ALA A 6 1.727 2.765 -6.048 1.00 0.00 O ATOM 84 CB ALA A 6 2.486 5.972 -6.342 1.00 0.00 C ATOM 0 H ALA A 6 2.546 6.412 -3.931 1.00 0.00 H new ATOM 0 HA ALA A 6 0.736 5.019 -5.562 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.356 5.573 -7.348 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.043 6.966 -6.286 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.550 6.035 -6.112 1.00 0.00 H new ATOM 90 N GLN A 7 3.518 3.414 -4.865 1.00 0.00 N ATOM 91 CA GLN A 7 4.160 2.106 -4.915 1.00 0.00 C ATOM 92 C GLN A 7 3.399 1.081 -4.081 1.00 0.00 C ATOM 93 O GLN A 7 3.184 -0.051 -4.512 1.00 0.00 O ATOM 94 CB GLN A 7 5.603 2.203 -4.419 1.00 0.00 C ATOM 95 CG GLN A 7 6.457 3.188 -5.195 1.00 0.00 C ATOM 96 CD GLN A 7 6.494 2.882 -6.674 1.00 0.00 C ATOM 97 OE1 GLN A 7 5.674 3.381 -7.446 1.00 0.00 O ATOM 98 NE2 GLN A 7 7.432 2.060 -7.076 1.00 0.00 N ATOM 0 H GLN A 7 4.039 4.119 -4.344 1.00 0.00 H new ATOM 0 HA GLN A 7 4.155 1.775 -5.954 1.00 0.00 H new ATOM 0 HB2 GLN A 7 5.597 2.493 -3.368 1.00 0.00 H new ATOM 0 HB3 GLN A 7 6.063 1.216 -4.475 1.00 0.00 H new ATOM 0 HG2 GLN A 7 6.070 4.196 -5.045 1.00 0.00 H new ATOM 0 HG3 GLN A 7 7.472 3.174 -4.799 1.00 0.00 H new ATOM 0 HE21 GLN A 7 8.091 1.669 -6.402 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.503 1.811 -8.063 1.00 0.00 H new ATOM 107 N LEU A 8 3.002 1.484 -2.891 1.00 0.00 N ATOM 108 CA LEU A 8 2.288 0.609 -1.978 1.00 0.00 C ATOM 109 C LEU A 8 0.860 0.322 -2.445 1.00 0.00 C ATOM 110 O LEU A 8 0.372 -0.800 -2.315 1.00 0.00 O ATOM 111 CB LEU A 8 2.303 1.199 -0.577 1.00 0.00 C ATOM 112 CG LEU A 8 3.687 1.253 0.079 1.00 0.00 C ATOM 113 CD1 LEU A 8 3.659 2.123 1.308 1.00 0.00 C ATOM 114 CD2 LEU A 8 4.164 -0.145 0.436 1.00 0.00 C ATOM 0 H LEU A 8 3.164 2.424 -2.529 1.00 0.00 H new ATOM 0 HA LEU A 8 2.804 -0.351 -1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.896 2.209 -0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.638 0.613 0.057 1.00 0.00 H new ATOM 0 HG LEU A 8 4.385 1.687 -0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.651 2.148 1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.361 3.134 1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.945 1.717 2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.148 -0.086 0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.461 -0.603 1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.225 -0.750 -0.468 1.00 0.00 H new ATOM 126 N LEU A 9 0.202 1.330 -3.002 1.00 0.00 N ATOM 127 CA LEU A 9 -1.149 1.194 -3.466 1.00 0.00 C ATOM 128 C LEU A 9 -1.225 0.253 -4.667 1.00 0.00 C ATOM 129 O LEU A 9 -2.099 -0.607 -4.734 1.00 0.00 O ATOM 130 CB LEU A 9 -1.710 2.552 -3.827 1.00 0.00 C ATOM 131 CG LEU A 9 -3.169 2.548 -4.161 1.00 0.00 C ATOM 132 CD1 LEU A 9 -4.024 2.458 -2.906 1.00 0.00 C ATOM 133 CD2 LEU A 9 -3.539 3.743 -5.003 1.00 0.00 C ATOM 0 H LEU A 9 0.600 2.259 -3.139 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.746 0.763 -2.662 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.542 3.234 -2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.156 2.946 -4.679 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.372 1.656 -4.754 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.078 2.457 -3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.789 1.538 -2.371 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.818 3.314 -2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.605 3.713 -5.230 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.310 4.658 -4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.970 3.724 -5.932 1.00 0.00 H new ATOM 145 N THR A 10 -0.300 0.410 -5.606 1.00 0.00 N ATOM 146 CA THR A 10 -0.262 -0.457 -6.774 1.00 0.00 C ATOM 147 C THR A 10 0.103 -1.879 -6.366 1.00 0.00 C ATOM 148 O THR A 10 -0.359 -2.850 -6.964 1.00 0.00 O ATOM 149 CB THR A 10 0.729 0.054 -7.832 1.00 0.00 C ATOM 150 OG1 THR A 10 1.964 0.411 -7.205 1.00 0.00 O ATOM 151 CG2 THR A 10 0.160 1.258 -8.568 1.00 0.00 C ATOM 0 H THR A 10 0.428 1.124 -5.581 1.00 0.00 H new ATOM 0 HA THR A 10 -1.258 -0.451 -7.217 1.00 0.00 H new ATOM 0 HB THR A 10 0.904 -0.743 -8.555 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.892 1.314 -6.832 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.878 1.603 -9.312 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.769 0.976 -9.064 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.038 2.059 -7.856 1.00 0.00 H new ATOM 159 N ALA A 11 0.928 -1.989 -5.331 1.00 0.00 N ATOM 160 CA ALA A 11 1.322 -3.275 -4.786 1.00 0.00 C ATOM 161 C ALA A 11 0.102 -4.017 -4.249 1.00 0.00 C ATOM 162 O ALA A 11 -0.019 -5.231 -4.406 1.00 0.00 O ATOM 163 CB ALA A 11 2.356 -3.079 -3.703 1.00 0.00 C ATOM 0 H ALA A 11 1.340 -1.189 -4.850 1.00 0.00 H new ATOM 0 HA ALA A 11 1.763 -3.880 -5.578 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.647 -4.048 -3.298 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.232 -2.583 -4.121 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.937 -2.464 -2.906 1.00 0.00 H new ATOM 169 N ALA A 12 -0.818 -3.265 -3.650 1.00 0.00 N ATOM 170 CA ALA A 12 -2.062 -3.819 -3.121 1.00 0.00 C ATOM 171 C ALA A 12 -2.860 -4.459 -4.246 1.00 0.00 C ATOM 172 O ALA A 12 -3.473 -5.518 -4.075 1.00 0.00 O ATOM 173 CB ALA A 12 -2.872 -2.710 -2.481 1.00 0.00 C ATOM 0 H ALA A 12 -0.723 -2.258 -3.518 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.833 -4.578 -2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.801 -3.120 -2.085 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.298 -2.262 -1.670 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.100 -1.949 -3.227 1.00 0.00 H new ATOM 179 N GLU A 13 -2.844 -3.809 -5.396 1.00 0.00 N ATOM 180 CA GLU A 13 -3.524 -4.307 -6.578 1.00 0.00 C ATOM 181 C GLU A 13 -2.802 -5.538 -7.125 1.00 0.00 C ATOM 182 O GLU A 13 -3.436 -6.510 -7.548 1.00 0.00 O ATOM 183 CB GLU A 13 -3.579 -3.214 -7.645 1.00 0.00 C ATOM 184 CG GLU A 13 -4.157 -1.900 -7.143 1.00 0.00 C ATOM 185 CD GLU A 13 -5.598 -2.025 -6.702 1.00 0.00 C ATOM 186 OE1 GLU A 13 -6.498 -1.820 -7.541 1.00 0.00 O ATOM 187 OE2 GLU A 13 -5.839 -2.330 -5.520 1.00 0.00 O ATOM 0 H GLU A 13 -2.360 -2.922 -5.537 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.541 -4.591 -6.306 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.572 -3.037 -8.024 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.178 -3.567 -8.484 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.556 -1.539 -6.308 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.087 -1.152 -7.933 1.00 0.00 H new ATOM 194 N LYS A 14 -1.471 -5.490 -7.093 1.00 0.00 N ATOM 195 CA LYS A 14 -0.636 -6.578 -7.591 1.00 0.00 C ATOM 196 C LYS A 14 -0.816 -7.851 -6.776 1.00 0.00 C ATOM 197 O LYS A 14 -0.965 -8.929 -7.332 1.00 0.00 O ATOM 198 CB LYS A 14 0.831 -6.169 -7.589 1.00 0.00 C ATOM 199 CG LYS A 14 1.172 -5.155 -8.655 1.00 0.00 C ATOM 200 CD LYS A 14 2.640 -4.794 -8.625 1.00 0.00 C ATOM 201 CE LYS A 14 2.993 -3.872 -9.770 1.00 0.00 C ATOM 202 NZ LYS A 14 2.778 -4.516 -11.095 1.00 0.00 N ATOM 0 H LYS A 14 -0.945 -4.699 -6.723 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.953 -6.785 -8.613 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.085 -5.757 -6.612 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.448 -7.056 -7.731 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.914 -5.555 -9.636 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.572 -4.257 -8.510 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.881 -4.312 -7.677 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.243 -5.700 -8.684 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.389 -2.967 -9.705 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.036 -3.567 -9.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.302 -3.992 -11.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.118 -5.498 -11.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.764 -4.508 -11.324 1.00 0.00 H new ATOM 216 N ALA A 15 -0.822 -7.719 -5.457 1.00 0.00 N ATOM 217 CA ALA A 15 -0.982 -8.873 -4.577 1.00 0.00 C ATOM 218 C ALA A 15 -2.321 -9.545 -4.808 1.00 0.00 C ATOM 219 O ALA A 15 -2.433 -10.769 -4.748 1.00 0.00 O ATOM 220 CB ALA A 15 -0.842 -8.459 -3.133 1.00 0.00 C ATOM 0 H ALA A 15 -0.718 -6.828 -4.972 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.196 -9.591 -4.810 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.964 -9.331 -2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.145 -8.026 -2.973 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.606 -7.720 -2.891 1.00 0.00 H new ATOM 226 N ASP A 16 -3.335 -8.743 -5.080 1.00 0.00 N ATOM 227 CA ASP A 16 -4.658 -9.267 -5.375 1.00 0.00 C ATOM 228 C ASP A 16 -4.619 -10.046 -6.679 1.00 0.00 C ATOM 229 O ASP A 16 -5.147 -11.152 -6.776 1.00 0.00 O ATOM 230 CB ASP A 16 -5.668 -8.130 -5.479 1.00 0.00 C ATOM 231 CG ASP A 16 -7.059 -8.625 -5.797 1.00 0.00 C ATOM 232 OD1 ASP A 16 -7.717 -9.172 -4.891 1.00 0.00 O ATOM 233 OD2 ASP A 16 -7.502 -8.460 -6.949 1.00 0.00 O ATOM 0 H ASP A 16 -3.268 -7.725 -5.103 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.964 -9.931 -4.566 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.687 -7.578 -4.540 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.348 -7.432 -6.253 1.00 0.00 H new ATOM 238 N GLU A 17 -3.959 -9.459 -7.662 1.00 0.00 N ATOM 239 CA GLU A 17 -3.785 -10.050 -8.972 1.00 0.00 C ATOM 240 C GLU A 17 -2.990 -11.367 -8.884 1.00 0.00 C ATOM 241 O GLU A 17 -3.201 -12.293 -9.672 1.00 0.00 O ATOM 242 CB GLU A 17 -3.046 -9.048 -9.855 1.00 0.00 C ATOM 243 CG GLU A 17 -2.931 -9.454 -11.295 1.00 0.00 C ATOM 244 CD GLU A 17 -2.165 -8.444 -12.115 1.00 0.00 C ATOM 245 OE1 GLU A 17 -0.918 -8.466 -12.081 1.00 0.00 O ATOM 246 OE2 GLU A 17 -2.802 -7.619 -12.796 1.00 0.00 O ATOM 0 H GLU A 17 -3.522 -8.542 -7.568 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.761 -10.283 -9.397 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.559 -8.088 -9.801 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.045 -8.897 -9.452 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.435 -10.422 -11.359 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.929 -9.579 -11.716 1.00 0.00 H new ATOM 253 N LEU A 18 -2.085 -11.437 -7.918 1.00 0.00 N ATOM 254 CA LEU A 18 -1.253 -12.617 -7.712 1.00 0.00 C ATOM 255 C LEU A 18 -1.985 -13.683 -6.909 1.00 0.00 C ATOM 256 O LEU A 18 -1.572 -14.846 -6.877 1.00 0.00 O ATOM 257 CB LEU A 18 0.022 -12.230 -6.987 1.00 0.00 C ATOM 258 CG LEU A 18 0.939 -11.275 -7.732 1.00 0.00 C ATOM 259 CD1 LEU A 18 2.136 -10.948 -6.883 1.00 0.00 C ATOM 260 CD2 LEU A 18 1.373 -11.874 -9.062 1.00 0.00 C ATOM 0 H LEU A 18 -1.906 -10.681 -7.257 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.014 -13.030 -8.692 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.247 -11.776 -6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.580 -13.139 -6.761 1.00 0.00 H new ATOM 0 HG LEU A 18 0.393 -10.355 -7.939 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.789 -10.263 -7.423 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.807 -10.480 -5.955 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.681 -11.864 -6.654 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.029 -11.174 -9.579 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.907 -12.808 -8.884 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.494 -12.070 -9.677 1.00 0.00 H new ATOM 272 N GLY A 19 -3.064 -13.285 -6.261 1.00 0.00 N ATOM 273 CA GLY A 19 -3.823 -14.213 -5.455 1.00 0.00 C ATOM 274 C GLY A 19 -3.261 -14.349 -4.056 1.00 0.00 C ATOM 275 O GLY A 19 -3.370 -15.404 -3.435 1.00 0.00 O ATOM 0 H GLY A 19 -3.430 -12.333 -6.278 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.859 -13.879 -5.397 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.830 -15.190 -5.938 1.00 0.00 H new ATOM 279 N CYS A 20 -2.651 -13.283 -3.566 1.00 0.00 N ATOM 280 CA CYS A 20 -2.071 -13.269 -2.234 1.00 0.00 C ATOM 281 C CYS A 20 -2.990 -12.508 -1.274 1.00 0.00 C ATOM 282 O CYS A 20 -2.962 -11.281 -1.231 1.00 0.00 O ATOM 283 CB CYS A 20 -0.701 -12.594 -2.277 1.00 0.00 C ATOM 284 SG CYS A 20 0.388 -13.200 -3.582 1.00 0.00 S ATOM 0 H CYS A 20 -2.544 -12.407 -4.077 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.958 -14.295 -1.883 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.842 -11.521 -2.407 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.209 -12.736 -1.315 1.00 0.00 H new ATOM 0 HG CYS A 20 1.441 -12.441 -3.656 1.00 0.00 H new ATOM 290 N PRO A 21 -3.829 -13.223 -0.500 1.00 0.00 N ATOM 291 CA PRO A 21 -4.799 -12.589 0.402 1.00 0.00 C ATOM 292 C PRO A 21 -4.146 -11.810 1.549 1.00 0.00 C ATOM 293 O PRO A 21 -4.551 -10.684 1.850 1.00 0.00 O ATOM 294 CB PRO A 21 -5.610 -13.768 0.948 1.00 0.00 C ATOM 295 CG PRO A 21 -4.727 -14.956 0.781 1.00 0.00 C ATOM 296 CD PRO A 21 -3.895 -14.695 -0.440 1.00 0.00 C ATOM 0 HA PRO A 21 -5.397 -11.845 -0.125 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.872 -13.615 1.995 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.544 -13.891 0.400 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.096 -15.098 1.658 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.317 -15.865 0.662 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.903 -15.139 -0.353 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -4.354 -15.114 -1.336 1.00 0.00 H new ATOM 304 N GLU A 22 -3.129 -12.393 2.168 1.00 0.00 N ATOM 305 CA GLU A 22 -2.458 -11.743 3.285 1.00 0.00 C ATOM 306 C GLU A 22 -1.613 -10.581 2.797 1.00 0.00 C ATOM 307 O GLU A 22 -1.622 -9.498 3.385 1.00 0.00 O ATOM 308 CB GLU A 22 -1.600 -12.738 4.058 1.00 0.00 C ATOM 309 CG GLU A 22 -0.984 -12.164 5.322 1.00 0.00 C ATOM 310 CD GLU A 22 -0.231 -13.198 6.113 1.00 0.00 C ATOM 311 OE1 GLU A 22 0.983 -13.364 5.883 1.00 0.00 O ATOM 312 OE2 GLU A 22 -0.855 -13.870 6.966 1.00 0.00 O ATOM 0 H GLU A 22 -2.753 -13.308 1.918 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.222 -11.356 3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.210 -13.601 4.322 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.803 -13.098 3.408 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.309 -11.350 5.057 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.770 -11.736 5.944 1.00 0.00 H new ATOM 319 N GLU A 23 -0.906 -10.803 1.702 1.00 0.00 N ATOM 320 CA GLU A 23 -0.063 -9.779 1.122 1.00 0.00 C ATOM 321 C GLU A 23 -0.915 -8.619 0.633 1.00 0.00 C ATOM 322 O GLU A 23 -0.510 -7.464 0.720 1.00 0.00 O ATOM 323 CB GLU A 23 0.783 -10.357 -0.015 1.00 0.00 C ATOM 324 CG GLU A 23 1.782 -9.381 -0.602 1.00 0.00 C ATOM 325 CD GLU A 23 2.816 -10.058 -1.469 1.00 0.00 C ATOM 326 OE1 GLU A 23 2.496 -10.433 -2.617 1.00 0.00 O ATOM 327 OE2 GLU A 23 3.965 -10.213 -1.004 1.00 0.00 O ATOM 0 H GLU A 23 -0.901 -11.689 1.197 1.00 0.00 H new ATOM 0 HA GLU A 23 0.618 -9.408 1.888 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.319 -11.231 0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.119 -10.702 -0.808 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.251 -8.635 -1.193 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.283 -8.850 0.207 1.00 0.00 H new ATOM 334 N ARG A 24 -2.115 -8.934 0.147 1.00 0.00 N ATOM 335 CA ARG A 24 -3.040 -7.915 -0.313 1.00 0.00 C ATOM 336 C ARG A 24 -3.369 -6.971 0.831 1.00 0.00 C ATOM 337 O ARG A 24 -3.345 -5.763 0.669 1.00 0.00 O ATOM 338 CB ARG A 24 -4.334 -8.558 -0.823 1.00 0.00 C ATOM 339 CG ARG A 24 -5.304 -7.573 -1.452 1.00 0.00 C ATOM 340 CD ARG A 24 -6.737 -8.094 -1.422 1.00 0.00 C ATOM 341 NE ARG A 24 -6.912 -9.333 -2.191 1.00 0.00 N ATOM 342 CZ ARG A 24 -7.407 -10.472 -1.690 1.00 0.00 C ATOM 343 NH1 ARG A 24 -7.748 -10.549 -0.405 1.00 0.00 N ATOM 344 NH2 ARG A 24 -7.565 -11.530 -2.479 1.00 0.00 N ATOM 0 H ARG A 24 -2.464 -9.889 0.064 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.572 -7.362 -1.127 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.083 -9.324 -1.556 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.830 -9.061 0.007 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.252 -6.622 -0.922 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.009 -7.380 -2.483 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.033 -8.270 -0.388 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.405 -7.329 -1.819 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.638 -9.325 -3.173 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.633 -9.738 0.203 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.125 -11.419 -0.029 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.309 -11.474 -3.465 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.942 -12.398 -2.099 1.00 0.00 H new ATOM 358 N ALA A 25 -3.634 -7.539 2.000 1.00 0.00 N ATOM 359 CA ALA A 25 -3.976 -6.752 3.173 1.00 0.00 C ATOM 360 C ALA A 25 -2.768 -5.969 3.675 1.00 0.00 C ATOM 361 O ALA A 25 -2.889 -4.810 4.079 1.00 0.00 O ATOM 362 CB ALA A 25 -4.523 -7.650 4.267 1.00 0.00 C ATOM 0 H ALA A 25 -3.618 -8.546 2.159 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.748 -6.035 2.892 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.775 -7.048 5.140 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.417 -8.159 3.907 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.770 -8.389 4.541 1.00 0.00 H new ATOM 368 N GLN A 26 -1.601 -6.600 3.631 1.00 0.00 N ATOM 369 CA GLN A 26 -0.367 -5.967 4.065 1.00 0.00 C ATOM 370 C GLN A 26 -0.045 -4.759 3.185 1.00 0.00 C ATOM 371 O GLN A 26 0.351 -3.705 3.675 1.00 0.00 O ATOM 372 CB GLN A 26 0.779 -6.990 4.019 1.00 0.00 C ATOM 373 CG GLN A 26 2.162 -6.409 4.271 1.00 0.00 C ATOM 374 CD GLN A 26 2.292 -5.736 5.625 1.00 0.00 C ATOM 375 OE1 GLN A 26 1.620 -6.105 6.586 1.00 0.00 O ATOM 376 NE2 GLN A 26 3.158 -4.749 5.709 1.00 0.00 N ATOM 0 H GLN A 26 -1.486 -7.557 3.296 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.488 -5.615 5.089 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.585 -7.765 4.760 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.776 -7.475 3.043 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.902 -7.205 4.196 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.392 -5.685 3.489 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.697 -4.472 4.888 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.290 -4.261 6.595 1.00 0.00 H new ATOM 385 N LEU A 27 -0.229 -4.919 1.897 1.00 0.00 N ATOM 386 CA LEU A 27 0.015 -3.852 0.957 1.00 0.00 C ATOM 387 C LEU A 27 -1.093 -2.797 0.990 1.00 0.00 C ATOM 388 O LEU A 27 -0.827 -1.607 0.840 1.00 0.00 O ATOM 389 CB LEU A 27 0.208 -4.425 -0.420 1.00 0.00 C ATOM 390 CG LEU A 27 1.468 -5.271 -0.564 1.00 0.00 C ATOM 391 CD1 LEU A 27 1.395 -6.098 -1.802 1.00 0.00 C ATOM 392 CD2 LEU A 27 2.705 -4.393 -0.593 1.00 0.00 C ATOM 0 H LEU A 27 -0.551 -5.789 1.472 1.00 0.00 H new ATOM 0 HA LEU A 27 0.930 -3.336 1.247 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.659 -5.035 -0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.246 -3.608 -1.141 1.00 0.00 H new ATOM 0 HG LEU A 27 1.537 -5.933 0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.301 -6.697 -1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.528 -6.756 -1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.303 -5.446 -2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.592 -5.018 -0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.644 -3.707 -1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.768 -3.823 0.334 1.00 0.00 H new ATOM 404 N LEU A 28 -2.332 -3.237 1.199 1.00 0.00 N ATOM 405 CA LEU A 28 -3.467 -2.319 1.292 1.00 0.00 C ATOM 406 C LEU A 28 -3.337 -1.401 2.496 1.00 0.00 C ATOM 407 O LEU A 28 -3.660 -0.211 2.420 1.00 0.00 O ATOM 408 CB LEU A 28 -4.780 -3.081 1.346 1.00 0.00 C ATOM 409 CG LEU A 28 -5.341 -3.499 -0.006 1.00 0.00 C ATOM 410 CD1 LEU A 28 -6.432 -4.515 0.174 1.00 0.00 C ATOM 411 CD2 LEU A 28 -5.871 -2.288 -0.761 1.00 0.00 C ATOM 0 H LEU A 28 -2.576 -4.221 1.307 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.464 -1.702 0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.639 -3.974 1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.520 -2.463 1.854 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.537 -3.947 -0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.824 -4.805 -0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.031 -5.394 0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.234 -4.085 0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.268 -2.606 -1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.663 -1.815 -0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.062 -1.575 -0.919 1.00 0.00 H new ATOM 423 N THR A 29 -2.863 -1.948 3.603 1.00 0.00 N ATOM 424 CA THR A 29 -2.639 -1.154 4.793 1.00 0.00 C ATOM 425 C THR A 29 -1.446 -0.225 4.586 1.00 0.00 C ATOM 426 O THR A 29 -1.434 0.904 5.068 1.00 0.00 O ATOM 427 CB THR A 29 -2.426 -2.038 6.043 1.00 0.00 C ATOM 428 OG1 THR A 29 -1.527 -3.114 5.740 1.00 0.00 O ATOM 429 CG2 THR A 29 -3.748 -2.607 6.528 1.00 0.00 C ATOM 0 H THR A 29 -2.627 -2.936 3.700 1.00 0.00 H new ATOM 0 HA THR A 29 -3.533 -0.556 4.967 1.00 0.00 H new ATOM 0 HB THR A 29 -1.998 -1.417 6.830 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.012 -3.822 5.266 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.576 -3.226 7.408 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.423 -1.791 6.784 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.194 -3.213 5.740 1.00 0.00 H new ATOM 437 N ALA A 30 -0.457 -0.708 3.839 1.00 0.00 N ATOM 438 CA ALA A 30 0.714 0.084 3.496 1.00 0.00 C ATOM 439 C ALA A 30 0.314 1.285 2.637 1.00 0.00 C ATOM 440 O ALA A 30 0.871 2.377 2.773 1.00 0.00 O ATOM 441 CB ALA A 30 1.733 -0.777 2.784 1.00 0.00 C ATOM 0 H ALA A 30 -0.447 -1.654 3.458 1.00 0.00 H new ATOM 0 HA ALA A 30 1.166 0.462 4.413 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.606 -0.175 2.532 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.035 -1.598 3.435 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.294 -1.180 1.871 1.00 0.00 H new ATOM 447 N ALA A 31 -0.680 1.073 1.771 1.00 0.00 N ATOM 448 CA ALA A 31 -1.219 2.128 0.920 1.00 0.00 C ATOM 449 C ALA A 31 -1.758 3.262 1.784 1.00 0.00 C ATOM 450 O ALA A 31 -1.541 4.441 1.499 1.00 0.00 O ATOM 451 CB ALA A 31 -2.333 1.564 0.056 1.00 0.00 C ATOM 0 H ALA A 31 -1.130 0.167 1.643 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.427 2.515 0.279 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.735 2.353 -0.580 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.939 0.761 -0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.125 1.172 0.694 1.00 0.00 H new ATOM 457 N GLU A 32 -2.443 2.884 2.860 1.00 0.00 N ATOM 458 CA GLU A 32 -3.009 3.839 3.800 1.00 0.00 C ATOM 459 C GLU A 32 -1.917 4.503 4.622 1.00 0.00 C ATOM 460 O GLU A 32 -1.966 5.700 4.871 1.00 0.00 O ATOM 461 CB GLU A 32 -3.993 3.136 4.731 1.00 0.00 C ATOM 462 CG GLU A 32 -5.246 2.648 4.039 1.00 0.00 C ATOM 463 CD GLU A 32 -6.144 3.783 3.612 1.00 0.00 C ATOM 464 OE1 GLU A 32 -7.015 4.180 4.410 1.00 0.00 O ATOM 465 OE2 GLU A 32 -5.990 4.282 2.477 1.00 0.00 O ATOM 0 H GLU A 32 -2.619 1.909 3.102 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.532 4.607 3.230 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.493 2.287 5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.274 3.821 5.531 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.969 2.058 3.165 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.794 1.986 4.710 1.00 0.00 H new ATOM 472 N LYS A 33 -0.927 3.716 5.024 1.00 0.00 N ATOM 473 CA LYS A 33 0.183 4.214 5.830 1.00 0.00 C ATOM 474 C LYS A 33 0.901 5.359 5.138 1.00 0.00 C ATOM 475 O LYS A 33 1.039 6.444 5.699 1.00 0.00 O ATOM 476 CB LYS A 33 1.168 3.090 6.142 1.00 0.00 C ATOM 477 CG LYS A 33 0.634 2.064 7.121 1.00 0.00 C ATOM 478 CD LYS A 33 1.664 0.989 7.406 1.00 0.00 C ATOM 479 CE LYS A 33 1.208 0.069 8.522 1.00 0.00 C ATOM 480 NZ LYS A 33 0.983 0.810 9.789 1.00 0.00 N ATOM 0 H LYS A 33 -0.870 2.722 4.803 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.233 4.590 6.765 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.437 2.587 5.213 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.083 3.523 6.547 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.353 2.557 8.051 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.269 1.607 6.717 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.844 0.406 6.503 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.611 1.454 7.679 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.287 -0.433 8.226 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.957 -0.707 8.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.007 0.146 10.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.728 1.525 9.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.055 1.279 9.757 1.00 0.00 H new ATOM 494 N ALA A 34 1.342 5.120 3.914 1.00 0.00 N ATOM 495 CA ALA A 34 2.048 6.134 3.149 1.00 0.00 C ATOM 496 C ALA A 34 1.160 7.345 2.904 1.00 0.00 C ATOM 497 O ALA A 34 1.629 8.482 2.912 1.00 0.00 O ATOM 498 CB ALA A 34 2.535 5.559 1.842 1.00 0.00 C ATOM 0 H ALA A 34 1.223 4.231 3.428 1.00 0.00 H new ATOM 0 HA ALA A 34 2.911 6.461 3.728 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.062 6.330 1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.212 4.728 2.040 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.684 5.204 1.261 1.00 0.00 H new ATOM 504 N ASP A 35 -0.126 7.095 2.701 1.00 0.00 N ATOM 505 CA ASP A 35 -1.087 8.168 2.480 1.00 0.00 C ATOM 506 C ASP A 35 -1.229 9.021 3.735 1.00 0.00 C ATOM 507 O ASP A 35 -1.269 10.248 3.666 1.00 0.00 O ATOM 508 CB ASP A 35 -2.446 7.597 2.073 1.00 0.00 C ATOM 509 CG ASP A 35 -3.470 8.675 1.798 1.00 0.00 C ATOM 510 OD1 ASP A 35 -3.250 9.492 0.878 1.00 0.00 O ATOM 511 OD2 ASP A 35 -4.510 8.703 2.486 1.00 0.00 O ATOM 0 H ASP A 35 -0.529 6.158 2.685 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.718 8.797 1.670 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.325 6.980 1.183 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.814 6.945 2.865 1.00 0.00 H new ATOM 516 N GLU A 36 -1.286 8.360 4.880 1.00 0.00 N ATOM 517 CA GLU A 36 -1.389 9.038 6.164 1.00 0.00 C ATOM 518 C GLU A 36 -0.140 9.862 6.453 1.00 0.00 C ATOM 519 O GLU A 36 -0.217 10.927 7.071 1.00 0.00 O ATOM 520 CB GLU A 36 -1.614 8.024 7.284 1.00 0.00 C ATOM 521 CG GLU A 36 -3.010 7.433 7.306 1.00 0.00 C ATOM 522 CD GLU A 36 -4.062 8.483 7.550 1.00 0.00 C ATOM 523 OE1 GLU A 36 -3.983 9.176 8.584 1.00 0.00 O ATOM 524 OE2 GLU A 36 -4.974 8.634 6.711 1.00 0.00 O ATOM 0 H GLU A 36 -1.262 7.342 4.947 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.242 9.714 6.117 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.890 7.216 7.180 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.419 8.506 8.242 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.208 6.935 6.357 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.070 6.672 8.084 1.00 0.00 H new ATOM 531 N LEU A 37 1.001 9.369 5.995 1.00 0.00 N ATOM 532 CA LEU A 37 2.273 10.049 6.196 1.00 0.00 C ATOM 533 C LEU A 37 2.454 11.187 5.209 1.00 0.00 C ATOM 534 O LEU A 37 3.325 12.035 5.381 1.00 0.00 O ATOM 535 CB LEU A 37 3.412 9.069 6.033 1.00 0.00 C ATOM 536 CG LEU A 37 3.403 7.889 6.985 1.00 0.00 C ATOM 537 CD1 LEU A 37 4.555 6.984 6.671 1.00 0.00 C ATOM 538 CD2 LEU A 37 3.467 8.358 8.429 1.00 0.00 C ATOM 0 H LEU A 37 1.072 8.493 5.477 1.00 0.00 H new ATOM 0 HA LEU A 37 2.274 10.460 7.205 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.397 8.689 5.012 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.351 9.607 6.159 1.00 0.00 H new ATOM 0 HG LEU A 37 2.471 7.338 6.856 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.548 6.136 7.356 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.466 6.624 5.646 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.490 7.533 6.783 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.459 7.494 9.093 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.383 8.928 8.586 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.605 8.989 8.645 1.00 0.00 H new ATOM 550 N GLY A 38 1.630 11.200 4.177 1.00 0.00 N ATOM 551 CA GLY A 38 1.725 12.229 3.168 1.00 0.00 C ATOM 552 C GLY A 38 2.820 11.944 2.161 1.00 0.00 C ATOM 553 O GLY A 38 3.383 12.866 1.571 1.00 0.00 O ATOM 0 H GLY A 38 0.893 10.513 4.019 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.770 12.316 2.649 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.916 13.189 3.648 1.00 0.00 H new TER 557 GLY A 38