USER MOD reduce.3.24.130724 H: found=0, std=0, add=349, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 347 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 Single : A 1 GLN : amide:sc= -0.0158 X(o=-0.016,f=-0.12) USER MOD Single : A 1 GLN N :NH3+ 158:sc= -0.0356 (180deg=-0.365) USER MOD Single : A 3 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.2) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.411 K(o=-0.41,f=-1) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.443 USER MOD Single : A 26 CYS SG : rot 80:sc= -4.16! USER MOD Single : A 28 LYS NZ :NH3+ 179:sc= -1.95 (180deg=-2.08) USER MOD Single : A 29 ASN : amide:sc= 0.579 K(o=0.58,f=-0.28) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.22 K(o=-0.22,f=-3.7!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.31) USER MOD Single : A 41 ASN : amide:sc= -0.0777 X(o=-0.078,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 28.396 11.639 6.993 1.00 0.00 N ATOM 2 CA GLN A 1 28.203 11.698 5.549 1.00 0.00 C ATOM 3 C GLN A 1 29.353 11.006 4.812 1.00 0.00 C ATOM 4 O GLN A 1 30.272 11.642 4.312 1.00 0.00 O ATOM 5 CB GLN A 1 28.060 13.136 5.033 1.00 0.00 C ATOM 6 CG GLN A 1 29.101 14.103 5.630 1.00 0.00 C ATOM 7 CD GLN A 1 29.656 15.061 4.564 1.00 0.00 C ATOM 8 OE1 GLN A 1 30.091 14.646 3.498 1.00 0.00 O ATOM 9 NE2 GLN A 1 29.621 16.357 4.928 1.00 0.00 N ATOM 0 H1 GLN A 1 27.848 12.397 7.448 1.00 0.00 H new ATOM 0 H2 GLN A 1 28.073 10.717 7.349 1.00 0.00 H new ATOM 0 H3 GLN A 1 29.405 11.761 7.214 1.00 0.00 H new ATOM 0 HA GLN A 1 27.270 11.173 5.345 1.00 0.00 H new ATOM 0 HB2 GLN A 1 28.155 13.136 3.947 1.00 0.00 H new ATOM 0 HB3 GLN A 1 27.060 13.501 5.266 1.00 0.00 H new ATOM 0 HG2 GLN A 1 28.645 14.678 6.436 1.00 0.00 H new ATOM 0 HG3 GLN A 1 29.919 13.532 6.069 1.00 0.00 H new ATOM 0 HE21 GLN A 1 29.241 16.621 5.837 1.00 0.00 H new ATOM 0 HE22 GLN A 1 29.974 17.074 4.295 1.00 0.00 H new ATOM 18 N GLU A 2 29.230 9.664 4.770 1.00 0.00 N ATOM 19 CA GLU A 2 30.261 8.864 4.126 1.00 0.00 C ATOM 20 C GLU A 2 29.926 8.518 2.684 1.00 0.00 C ATOM 21 O GLU A 2 30.743 7.905 2.024 1.00 0.00 O ATOM 22 CB GLU A 2 30.532 7.606 4.967 1.00 0.00 C ATOM 23 CG GLU A 2 32.024 7.421 5.279 1.00 0.00 C ATOM 24 CD GLU A 2 32.655 8.662 5.960 1.00 0.00 C ATOM 25 OE1 GLU A 2 32.038 9.217 6.868 1.00 0.00 O ATOM 26 OE2 GLU A 2 33.751 9.067 5.573 1.00 0.00 O ATOM 0 H GLU A 2 28.451 9.136 5.163 1.00 0.00 H new ATOM 0 HA GLU A 2 31.170 9.463 4.076 1.00 0.00 H new ATOM 0 HB2 GLU A 2 29.973 7.669 5.901 1.00 0.00 H new ATOM 0 HB3 GLU A 2 30.164 6.730 4.434 1.00 0.00 H new ATOM 0 HG2 GLU A 2 32.150 6.554 5.927 1.00 0.00 H new ATOM 0 HG3 GLU A 2 32.560 7.208 4.354 1.00 0.00 H new ATOM 33 N LYS A 3 28.725 8.969 2.230 1.00 0.00 N ATOM 34 CA LYS A 3 28.264 8.743 0.858 1.00 0.00 C ATOM 35 C LYS A 3 29.279 9.195 -0.215 1.00 0.00 C ATOM 36 O LYS A 3 29.266 8.728 -1.342 1.00 0.00 O ATOM 37 CB LYS A 3 26.907 9.426 0.635 1.00 0.00 C ATOM 38 CG LYS A 3 26.977 10.959 0.480 1.00 0.00 C ATOM 39 CD LYS A 3 26.419 11.735 1.669 1.00 0.00 C ATOM 40 CE LYS A 3 26.861 13.201 1.619 1.00 0.00 C ATOM 41 NZ LYS A 3 26.672 13.820 0.311 1.00 0.00 N ATOM 0 H LYS A 3 28.066 9.492 2.807 1.00 0.00 H new ATOM 0 HA LYS A 3 28.158 7.665 0.741 1.00 0.00 H new ATOM 0 HB2 LYS A 3 26.445 9.004 -0.258 1.00 0.00 H new ATOM 0 HB3 LYS A 3 26.253 9.188 1.474 1.00 0.00 H new ATOM 0 HG2 LYS A 3 28.016 11.250 0.326 1.00 0.00 H new ATOM 0 HG3 LYS A 3 26.429 11.247 -0.417 1.00 0.00 H new ATOM 0 HD2 LYS A 3 25.330 11.679 1.667 1.00 0.00 H new ATOM 0 HD3 LYS A 3 26.760 11.279 2.599 1.00 0.00 H new ATOM 0 HE2 LYS A 3 26.302 13.767 2.364 1.00 0.00 H new ATOM 0 HE3 LYS A 3 27.914 13.265 1.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 26.745 14.853 0.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 27.404 13.478 -0.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 25.733 13.570 -0.059 1.00 0.00 H new ATOM 55 N GLU A 4 30.147 10.138 0.239 1.00 0.00 N ATOM 56 CA GLU A 4 31.170 10.720 -0.611 1.00 0.00 C ATOM 57 C GLU A 4 32.099 9.633 -1.130 1.00 0.00 C ATOM 58 O GLU A 4 32.363 9.530 -2.314 1.00 0.00 O ATOM 59 CB GLU A 4 31.979 11.755 0.182 1.00 0.00 C ATOM 60 CG GLU A 4 33.072 12.404 -0.683 1.00 0.00 C ATOM 61 CD GLU A 4 33.577 13.717 -0.060 1.00 0.00 C ATOM 62 OE1 GLU A 4 34.426 13.662 0.829 1.00 0.00 O ATOM 63 OE2 GLU A 4 33.117 14.782 -0.472 1.00 0.00 O ATOM 0 H GLU A 4 30.142 10.498 1.193 1.00 0.00 H new ATOM 0 HA GLU A 4 30.688 11.210 -1.457 1.00 0.00 H new ATOM 0 HB2 GLU A 4 31.310 12.527 0.563 1.00 0.00 H new ATOM 0 HB3 GLU A 4 32.436 11.275 1.047 1.00 0.00 H new ATOM 0 HG2 GLU A 4 33.905 11.711 -0.799 1.00 0.00 H new ATOM 0 HG3 GLU A 4 32.679 12.601 -1.681 1.00 0.00 H new ATOM 70 N ALA A 5 32.543 8.833 -0.141 1.00 0.00 N ATOM 71 CA ALA A 5 33.374 7.701 -0.459 1.00 0.00 C ATOM 72 C ALA A 5 32.540 6.537 -0.983 1.00 0.00 C ATOM 73 O ALA A 5 33.029 5.786 -1.788 1.00 0.00 O ATOM 74 CB ALA A 5 34.166 7.277 0.767 1.00 0.00 C ATOM 0 H ALA A 5 32.337 8.959 0.850 1.00 0.00 H new ATOM 0 HA ALA A 5 34.068 7.996 -1.246 1.00 0.00 H new ATOM 0 HB1 ALA A 5 34.792 6.420 0.517 1.00 0.00 H new ATOM 0 HB2 ALA A 5 34.796 8.103 1.097 1.00 0.00 H new ATOM 0 HB3 ALA A 5 33.479 7.003 1.567 1.00 0.00 H new ATOM 80 N ILE A 6 31.274 6.417 -0.493 1.00 0.00 N ATOM 81 CA ILE A 6 30.493 5.219 -0.810 1.00 0.00 C ATOM 82 C ILE A 6 30.375 5.034 -2.333 1.00 0.00 C ATOM 83 O ILE A 6 30.582 3.952 -2.851 1.00 0.00 O ATOM 84 CB ILE A 6 29.132 5.161 -0.095 1.00 0.00 C ATOM 85 CG1 ILE A 6 29.276 5.275 1.444 1.00 0.00 C ATOM 86 CG2 ILE A 6 28.358 3.895 -0.487 1.00 0.00 C ATOM 87 CD1 ILE A 6 29.230 3.977 2.250 1.00 0.00 C ATOM 0 H ILE A 6 30.803 7.106 0.093 1.00 0.00 H new ATOM 0 HA ILE A 6 31.045 4.368 -0.412 1.00 0.00 H new ATOM 0 HB ILE A 6 28.558 6.027 -0.426 1.00 0.00 H new ATOM 0 HG12 ILE A 6 30.222 5.772 1.658 1.00 0.00 H new ATOM 0 HG13 ILE A 6 28.483 5.928 1.810 1.00 0.00 H new ATOM 0 HG21 ILE A 6 27.400 3.879 0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 6 28.187 3.892 -1.564 1.00 0.00 H new ATOM 0 HG23 ILE A 6 28.936 3.014 -0.209 1.00 0.00 H new ATOM 0 HD11 ILE A 6 29.342 4.203 3.310 1.00 0.00 H new ATOM 0 HD12 ILE A 6 28.274 3.480 2.084 1.00 0.00 H new ATOM 0 HD13 ILE A 6 30.040 3.322 1.931 1.00 0.00 H new ATOM 99 N GLU A 7 30.078 6.168 -3.006 1.00 0.00 N ATOM 100 CA GLU A 7 29.972 6.138 -4.460 1.00 0.00 C ATOM 101 C GLU A 7 31.348 6.091 -5.156 1.00 0.00 C ATOM 102 O GLU A 7 31.465 5.620 -6.272 1.00 0.00 O ATOM 103 CB GLU A 7 29.151 7.337 -4.956 1.00 0.00 C ATOM 104 CG GLU A 7 29.918 8.675 -4.958 1.00 0.00 C ATOM 105 CD GLU A 7 29.112 9.831 -5.581 1.00 0.00 C ATOM 106 OE1 GLU A 7 28.046 9.588 -6.147 1.00 0.00 O ATOM 107 OE2 GLU A 7 29.570 10.970 -5.503 1.00 0.00 O ATOM 0 H GLU A 7 29.915 7.078 -2.575 1.00 0.00 H new ATOM 0 HA GLU A 7 29.457 5.215 -4.727 1.00 0.00 H new ATOM 0 HB2 GLU A 7 28.803 7.130 -5.968 1.00 0.00 H new ATOM 0 HB3 GLU A 7 28.266 7.440 -4.329 1.00 0.00 H new ATOM 0 HG2 GLU A 7 30.184 8.936 -3.934 1.00 0.00 H new ATOM 0 HG3 GLU A 7 30.851 8.552 -5.509 1.00 0.00 H new ATOM 114 N ARG A 8 32.361 6.619 -4.435 1.00 0.00 N ATOM 115 CA ARG A 8 33.724 6.697 -4.956 1.00 0.00 C ATOM 116 C ARG A 8 34.452 5.344 -4.846 1.00 0.00 C ATOM 117 O ARG A 8 35.443 5.106 -5.517 1.00 0.00 O ATOM 118 CB ARG A 8 34.465 7.791 -4.170 1.00 0.00 C ATOM 119 CG ARG A 8 35.370 8.683 -5.029 1.00 0.00 C ATOM 120 CD ARG A 8 35.591 10.054 -4.374 1.00 0.00 C ATOM 121 NE ARG A 8 36.966 10.507 -4.534 1.00 0.00 N ATOM 122 CZ ARG A 8 37.403 11.214 -5.596 1.00 0.00 C ATOM 123 NH1 ARG A 8 36.618 11.439 -6.650 1.00 0.00 N ATOM 124 NH2 ARG A 8 38.642 11.697 -5.575 1.00 0.00 N ATOM 0 H ARG A 8 32.251 6.994 -3.493 1.00 0.00 H new ATOM 0 HA ARG A 8 33.699 6.946 -6.017 1.00 0.00 H new ATOM 0 HB2 ARG A 8 33.731 8.418 -3.664 1.00 0.00 H new ATOM 0 HB3 ARG A 8 35.069 7.319 -3.395 1.00 0.00 H new ATOM 0 HG2 ARG A 8 36.331 8.191 -5.180 1.00 0.00 H new ATOM 0 HG3 ARG A 8 34.922 8.817 -6.014 1.00 0.00 H new ATOM 0 HD2 ARG A 8 34.913 10.783 -4.817 1.00 0.00 H new ATOM 0 HD3 ARG A 8 35.347 9.995 -3.313 1.00 0.00 H new ATOM 0 HE ARG A 8 37.637 10.276 -3.801 1.00 0.00 H new ATOM 0 HH11 ARG A 8 35.666 11.074 -6.664 1.00 0.00 H new ATOM 0 HH12 ARG A 8 36.970 11.977 -7.442 1.00 0.00 H new ATOM 0 HH21 ARG A 8 39.241 11.530 -4.766 1.00 0.00 H new ATOM 0 HH22 ARG A 8 38.993 12.235 -6.367 1.00 0.00 H new ATOM 138 N LEU A 9 33.883 4.496 -3.961 1.00 0.00 N ATOM 139 CA LEU A 9 34.364 3.157 -3.660 1.00 0.00 C ATOM 140 C LEU A 9 33.658 2.155 -4.585 1.00 0.00 C ATOM 141 O LEU A 9 34.171 1.109 -4.942 1.00 0.00 O ATOM 142 CB LEU A 9 34.041 2.815 -2.209 1.00 0.00 C ATOM 143 CG LEU A 9 34.807 3.673 -1.189 1.00 0.00 C ATOM 144 CD1 LEU A 9 33.969 3.810 0.079 1.00 0.00 C ATOM 145 CD2 LEU A 9 36.177 3.113 -0.863 1.00 0.00 C ATOM 0 H LEU A 9 33.051 4.746 -3.427 1.00 0.00 H new ATOM 0 HA LEU A 9 35.442 3.110 -3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 9 32.971 2.939 -2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 9 34.271 1.764 -2.032 1.00 0.00 H new ATOM 0 HG LEU A 9 34.975 4.653 -1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 9 34.507 4.418 0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 9 33.020 4.288 -0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 9 33.781 2.822 0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 9 36.671 3.760 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 9 36.071 2.113 -0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 9 36.776 3.063 -1.773 1.00 0.00 H new ATOM 157 N LYS A 10 32.431 2.591 -4.939 1.00 0.00 N ATOM 158 CA LYS A 10 31.601 1.870 -5.886 1.00 0.00 C ATOM 159 C LYS A 10 32.056 2.152 -7.332 1.00 0.00 C ATOM 160 O LYS A 10 31.923 1.322 -8.219 1.00 0.00 O ATOM 161 CB LYS A 10 30.144 2.339 -5.694 1.00 0.00 C ATOM 162 CG LYS A 10 29.181 1.197 -5.395 1.00 0.00 C ATOM 163 CD LYS A 10 28.459 0.668 -6.634 1.00 0.00 C ATOM 164 CE LYS A 10 27.410 1.616 -7.203 1.00 0.00 C ATOM 165 NZ LYS A 10 26.620 0.931 -8.220 1.00 0.00 N ATOM 0 H LYS A 10 32.005 3.443 -4.574 1.00 0.00 H new ATOM 0 HA LYS A 10 31.685 0.797 -5.711 1.00 0.00 H new ATOM 0 HB2 LYS A 10 30.106 3.061 -4.878 1.00 0.00 H new ATOM 0 HB3 LYS A 10 29.814 2.858 -6.594 1.00 0.00 H new ATOM 0 HG2 LYS A 10 29.732 0.380 -4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 10 28.441 1.537 -4.670 1.00 0.00 H new ATOM 0 HD2 LYS A 10 29.197 0.456 -7.407 1.00 0.00 H new ATOM 0 HD3 LYS A 10 27.979 -0.278 -6.384 1.00 0.00 H new ATOM 0 HE2 LYS A 10 26.760 1.974 -6.405 1.00 0.00 H new ATOM 0 HE3 LYS A 10 27.895 2.491 -7.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 25.907 1.584 -8.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 27.245 0.611 -8.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 26.145 0.109 -7.795 1.00 0.00 H new ATOM 179 N ALA A 11 32.586 3.388 -7.496 1.00 0.00 N ATOM 180 CA ALA A 11 33.003 3.897 -8.797 1.00 0.00 C ATOM 181 C ALA A 11 34.326 3.276 -9.250 1.00 0.00 C ATOM 182 O ALA A 11 34.610 3.199 -10.436 1.00 0.00 O ATOM 183 CB ALA A 11 33.150 5.419 -8.727 1.00 0.00 C ATOM 0 H ALA A 11 32.730 4.045 -6.729 1.00 0.00 H new ATOM 0 HA ALA A 11 32.238 3.626 -9.525 1.00 0.00 H new ATOM 0 HB1 ALA A 11 33.462 5.800 -9.700 1.00 0.00 H new ATOM 0 HB2 ALA A 11 32.194 5.865 -8.452 1.00 0.00 H new ATOM 0 HB3 ALA A 11 33.899 5.678 -7.979 1.00 0.00 H new ATOM 189 N LEU A 12 35.083 2.801 -8.234 1.00 0.00 N ATOM 190 CA LEU A 12 36.265 1.977 -8.455 1.00 0.00 C ATOM 191 C LEU A 12 35.919 0.723 -9.304 1.00 0.00 C ATOM 192 O LEU A 12 36.787 0.145 -9.937 1.00 0.00 O ATOM 193 CB LEU A 12 36.790 1.552 -7.074 1.00 0.00 C ATOM 194 CG LEU A 12 37.835 2.479 -6.415 1.00 0.00 C ATOM 195 CD1 LEU A 12 37.568 2.671 -4.913 1.00 0.00 C ATOM 196 CD2 LEU A 12 39.236 1.893 -6.547 1.00 0.00 C ATOM 0 H LEU A 12 34.883 2.983 -7.251 1.00 0.00 H new ATOM 0 HA LEU A 12 37.019 2.542 -9.003 1.00 0.00 H new ATOM 0 HB2 LEU A 12 35.939 1.464 -6.399 1.00 0.00 H new ATOM 0 HB3 LEU A 12 37.227 0.558 -7.167 1.00 0.00 H new ATOM 0 HG LEU A 12 37.758 3.436 -6.931 1.00 0.00 H new ATOM 0 HD11 LEU A 12 38.326 3.330 -4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 12 36.583 3.115 -4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 12 37.605 1.705 -4.410 1.00 0.00 H new ATOM 0 HD21 LEU A 12 39.956 2.562 -6.076 1.00 0.00 H new ATOM 0 HD22 LEU A 12 39.271 0.920 -6.057 1.00 0.00 H new ATOM 0 HD23 LEU A 12 39.484 1.778 -7.602 1.00 0.00 H new ATOM 208 N GLY A 13 34.609 0.360 -9.277 1.00 0.00 N ATOM 209 CA GLY A 13 34.081 -0.736 -10.094 1.00 0.00 C ATOM 210 C GLY A 13 33.341 -1.803 -9.265 1.00 0.00 C ATOM 211 O GLY A 13 32.883 -2.811 -9.788 1.00 0.00 O ATOM 0 H GLY A 13 33.909 0.818 -8.694 1.00 0.00 H new ATOM 0 HA2 GLY A 13 33.401 -0.329 -10.842 1.00 0.00 H new ATOM 0 HA3 GLY A 13 34.902 -1.208 -10.633 1.00 0.00 H new ATOM 215 N PHE A 14 33.272 -1.524 -7.946 1.00 0.00 N ATOM 216 CA PHE A 14 32.740 -2.468 -6.985 1.00 0.00 C ATOM 217 C PHE A 14 31.286 -2.097 -6.642 1.00 0.00 C ATOM 218 O PHE A 14 30.870 -0.981 -6.886 1.00 0.00 O ATOM 219 CB PHE A 14 33.604 -2.353 -5.733 1.00 0.00 C ATOM 220 CG PHE A 14 35.041 -2.720 -5.992 1.00 0.00 C ATOM 221 CD1 PHE A 14 35.456 -4.053 -6.009 1.00 0.00 C ATOM 222 CD2 PHE A 14 35.973 -1.721 -6.223 1.00 0.00 C ATOM 223 CE1 PHE A 14 36.787 -4.374 -6.248 1.00 0.00 C ATOM 224 CE2 PHE A 14 37.295 -2.043 -6.487 1.00 0.00 C ATOM 225 CZ PHE A 14 37.708 -3.366 -6.488 1.00 0.00 C ATOM 0 H PHE A 14 33.584 -0.643 -7.537 1.00 0.00 H new ATOM 0 HA PHE A 14 32.751 -3.483 -7.383 1.00 0.00 H new ATOM 0 HB2 PHE A 14 33.555 -1.332 -5.354 1.00 0.00 H new ATOM 0 HB3 PHE A 14 33.201 -3.002 -4.956 1.00 0.00 H new ATOM 0 HD1 PHE A 14 34.738 -4.840 -5.835 1.00 0.00 H new ATOM 0 HD2 PHE A 14 35.668 -0.685 -6.197 1.00 0.00 H new ATOM 0 HE1 PHE A 14 37.103 -5.407 -6.247 1.00 0.00 H new ATOM 0 HE2 PHE A 14 38.008 -1.258 -6.693 1.00 0.00 H new ATOM 0 HZ PHE A 14 38.743 -3.611 -6.675 1.00 0.00 H new ATOM 235 N PRO A 15 30.542 -3.080 -6.040 1.00 0.00 N ATOM 236 CA PRO A 15 29.186 -2.848 -5.527 1.00 0.00 C ATOM 237 C PRO A 15 29.186 -2.212 -4.120 1.00 0.00 C ATOM 238 O PRO A 15 30.029 -2.540 -3.307 1.00 0.00 O ATOM 239 CB PRO A 15 28.600 -4.257 -5.423 1.00 0.00 C ATOM 240 CG PRO A 15 29.802 -5.157 -5.149 1.00 0.00 C ATOM 241 CD PRO A 15 30.973 -4.471 -5.861 1.00 0.00 C ATOM 0 HA PRO A 15 28.633 -2.165 -6.172 1.00 0.00 H new ATOM 0 HB2 PRO A 15 27.865 -4.322 -4.620 1.00 0.00 H new ATOM 0 HB3 PRO A 15 28.092 -4.544 -6.344 1.00 0.00 H new ATOM 0 HG2 PRO A 15 29.990 -5.252 -4.080 1.00 0.00 H new ATOM 0 HG3 PRO A 15 29.639 -6.163 -5.535 1.00 0.00 H new ATOM 0 HD2 PRO A 15 31.885 -4.529 -5.267 1.00 0.00 H new ATOM 0 HD3 PRO A 15 31.186 -4.945 -6.819 1.00 0.00 H new ATOM 249 N GLU A 16 28.196 -1.303 -3.874 1.00 0.00 N ATOM 250 CA GLU A 16 28.065 -0.584 -2.595 1.00 0.00 C ATOM 251 C GLU A 16 28.021 -1.531 -1.362 1.00 0.00 C ATOM 252 O GLU A 16 28.229 -1.124 -0.229 1.00 0.00 O ATOM 253 CB GLU A 16 26.811 0.322 -2.610 1.00 0.00 C ATOM 254 CG GLU A 16 26.425 0.934 -1.243 1.00 0.00 C ATOM 255 CD GLU A 16 25.258 1.941 -1.380 1.00 0.00 C ATOM 256 OE1 GLU A 16 24.196 1.535 -1.850 1.00 0.00 O ATOM 257 OE2 GLU A 16 25.410 3.108 -1.018 1.00 0.00 O ATOM 0 H GLU A 16 27.479 -1.059 -4.557 1.00 0.00 H new ATOM 0 HA GLU A 16 28.962 0.027 -2.493 1.00 0.00 H new ATOM 0 HB2 GLU A 16 26.977 1.133 -3.319 1.00 0.00 H new ATOM 0 HB3 GLU A 16 25.967 -0.259 -2.981 1.00 0.00 H new ATOM 0 HG2 GLU A 16 26.141 0.138 -0.554 1.00 0.00 H new ATOM 0 HG3 GLU A 16 27.291 1.436 -0.811 1.00 0.00 H new ATOM 264 N SER A 17 27.725 -2.811 -1.658 1.00 0.00 N ATOM 265 CA SER A 17 27.593 -3.804 -0.606 1.00 0.00 C ATOM 266 C SER A 17 28.932 -4.099 0.090 1.00 0.00 C ATOM 267 O SER A 17 28.980 -4.213 1.305 1.00 0.00 O ATOM 268 CB SER A 17 27.012 -5.095 -1.216 1.00 0.00 C ATOM 269 OG SER A 17 25.706 -5.366 -0.748 1.00 0.00 O ATOM 0 H SER A 17 27.577 -3.165 -2.603 1.00 0.00 H new ATOM 0 HA SER A 17 26.924 -3.408 0.158 1.00 0.00 H new ATOM 0 HB2 SER A 17 26.996 -5.006 -2.302 1.00 0.00 H new ATOM 0 HB3 SER A 17 27.664 -5.934 -0.975 1.00 0.00 H new ATOM 0 HG SER A 17 25.375 -6.191 -1.161 1.00 0.00 H new ATOM 275 N LEU A 18 30.004 -4.206 -0.734 1.00 0.00 N ATOM 276 CA LEU A 18 31.320 -4.404 -0.145 1.00 0.00 C ATOM 277 C LEU A 18 31.872 -3.083 0.391 1.00 0.00 C ATOM 278 O LEU A 18 32.741 -3.080 1.250 1.00 0.00 O ATOM 279 CB LEU A 18 32.288 -5.094 -1.117 1.00 0.00 C ATOM 280 CG LEU A 18 32.579 -4.421 -2.470 1.00 0.00 C ATOM 281 CD1 LEU A 18 33.030 -2.975 -2.327 1.00 0.00 C ATOM 282 CD2 LEU A 18 33.639 -5.233 -3.228 1.00 0.00 C ATOM 0 H LEU A 18 29.975 -4.160 -1.753 1.00 0.00 H new ATOM 0 HA LEU A 18 31.213 -5.082 0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 18 33.239 -5.223 -0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 18 31.898 -6.091 -1.321 1.00 0.00 H new ATOM 0 HG LEU A 18 31.645 -4.403 -3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 18 33.220 -2.554 -3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 18 32.250 -2.398 -1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 18 33.944 -2.936 -1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 18 33.845 -4.757 -4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 18 34.555 -5.275 -2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 18 33.270 -6.245 -3.398 1.00 0.00 H new ATOM 294 N VAL A 19 31.321 -1.988 -0.183 1.00 0.00 N ATOM 295 CA VAL A 19 31.867 -0.652 0.037 1.00 0.00 C ATOM 296 C VAL A 19 31.659 -0.264 1.503 1.00 0.00 C ATOM 297 O VAL A 19 32.559 0.166 2.199 1.00 0.00 O ATOM 298 CB VAL A 19 31.151 0.364 -0.876 1.00 0.00 C ATOM 299 CG1 VAL A 19 31.388 1.773 -0.390 1.00 0.00 C ATOM 300 CG2 VAL A 19 31.555 0.294 -2.358 1.00 0.00 C ATOM 0 H VAL A 19 30.506 -2.015 -0.795 1.00 0.00 H new ATOM 0 HA VAL A 19 32.931 -0.649 -0.198 1.00 0.00 H new ATOM 0 HB VAL A 19 30.097 0.091 -0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 19 30.875 2.476 -1.047 1.00 0.00 H new ATOM 0 HG12 VAL A 19 31.003 1.878 0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 19 32.457 1.985 -0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 19 31.001 1.044 -2.922 1.00 0.00 H new ATOM 0 HG22 VAL A 19 32.624 0.485 -2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 19 31.327 -0.697 -2.751 1.00 0.00 H new ATOM 310 N ILE A 20 30.381 -0.443 1.886 1.00 0.00 N ATOM 311 CA ILE A 20 29.886 -0.172 3.211 1.00 0.00 C ATOM 312 C ILE A 20 30.777 -0.851 4.257 1.00 0.00 C ATOM 313 O ILE A 20 31.320 -0.206 5.127 1.00 0.00 O ATOM 314 CB ILE A 20 28.391 -0.592 3.238 1.00 0.00 C ATOM 315 CG1 ILE A 20 27.523 0.565 3.718 1.00 0.00 C ATOM 316 CG2 ILE A 20 28.054 -1.868 4.022 1.00 0.00 C ATOM 317 CD1 ILE A 20 27.679 0.798 5.214 1.00 0.00 C ATOM 0 H ILE A 20 29.661 -0.790 1.252 1.00 0.00 H new ATOM 0 HA ILE A 20 29.930 0.886 3.469 1.00 0.00 H new ATOM 0 HB ILE A 20 28.169 -0.846 2.202 1.00 0.00 H new ATOM 0 HG12 ILE A 20 27.793 1.472 3.178 1.00 0.00 H new ATOM 0 HG13 ILE A 20 26.478 0.357 3.488 1.00 0.00 H new ATOM 0 HG21 ILE A 20 26.982 -2.056 3.967 1.00 0.00 H new ATOM 0 HG22 ILE A 20 28.593 -2.712 3.592 1.00 0.00 H new ATOM 0 HG23 ILE A 20 28.347 -1.743 5.064 1.00 0.00 H new ATOM 0 HD11 ILE A 20 27.045 1.630 5.521 1.00 0.00 H new ATOM 0 HD12 ILE A 20 27.384 -0.101 5.755 1.00 0.00 H new ATOM 0 HD13 ILE A 20 28.720 1.032 5.439 1.00 0.00 H new ATOM 329 N GLN A 21 30.913 -2.183 4.086 1.00 0.00 N ATOM 330 CA GLN A 21 31.634 -2.980 5.070 1.00 0.00 C ATOM 331 C GLN A 21 33.166 -2.971 4.844 1.00 0.00 C ATOM 332 O GLN A 21 33.895 -3.561 5.612 1.00 0.00 O ATOM 333 CB GLN A 21 31.053 -4.417 5.055 1.00 0.00 C ATOM 334 CG GLN A 21 30.320 -4.849 6.336 1.00 0.00 C ATOM 335 CD GLN A 21 29.250 -3.852 6.804 1.00 0.00 C ATOM 336 OE1 GLN A 21 28.124 -3.848 6.328 1.00 0.00 O ATOM 337 NE2 GLN A 21 29.677 -3.037 7.789 1.00 0.00 N ATOM 0 H GLN A 21 30.540 -2.707 3.295 1.00 0.00 H new ATOM 0 HA GLN A 21 31.492 -2.536 6.055 1.00 0.00 H new ATOM 0 HB2 GLN A 21 30.362 -4.502 4.216 1.00 0.00 H new ATOM 0 HB3 GLN A 21 31.867 -5.117 4.870 1.00 0.00 H new ATOM 0 HG2 GLN A 21 29.851 -5.818 6.166 1.00 0.00 H new ATOM 0 HG3 GLN A 21 31.051 -4.984 7.133 1.00 0.00 H new ATOM 0 HE21 GLN A 21 30.636 -3.107 8.129 1.00 0.00 H new ATOM 0 HE22 GLN A 21 29.041 -2.350 8.194 1.00 0.00 H new ATOM 346 N ALA A 22 33.595 -2.260 3.765 1.00 0.00 N ATOM 347 CA ALA A 22 35.019 -2.071 3.484 1.00 0.00 C ATOM 348 C ALA A 22 35.518 -0.695 3.928 1.00 0.00 C ATOM 349 O ALA A 22 36.713 -0.478 4.016 1.00 0.00 O ATOM 350 CB ALA A 22 35.328 -2.195 1.987 1.00 0.00 C ATOM 0 H ALA A 22 32.971 -1.818 3.090 1.00 0.00 H new ATOM 0 HA ALA A 22 35.525 -2.856 4.046 1.00 0.00 H new ATOM 0 HB1 ALA A 22 36.395 -2.048 1.822 1.00 0.00 H new ATOM 0 HB2 ALA A 22 35.040 -3.186 1.637 1.00 0.00 H new ATOM 0 HB3 ALA A 22 34.768 -1.439 1.436 1.00 0.00 H new ATOM 356 N TYR A 23 34.547 0.208 4.190 1.00 0.00 N ATOM 357 CA TYR A 23 34.891 1.527 4.707 1.00 0.00 C ATOM 358 C TYR A 23 34.802 1.483 6.232 1.00 0.00 C ATOM 359 O TYR A 23 35.708 1.880 6.937 1.00 0.00 O ATOM 360 CB TYR A 23 33.939 2.582 4.107 1.00 0.00 C ATOM 361 CG TYR A 23 34.638 3.859 3.745 1.00 0.00 C ATOM 362 CD1 TYR A 23 35.505 3.866 2.675 1.00 0.00 C ATOM 363 CD2 TYR A 23 34.426 5.043 4.436 1.00 0.00 C ATOM 364 CE1 TYR A 23 36.162 5.023 2.293 1.00 0.00 C ATOM 365 CE2 TYR A 23 35.096 6.204 4.082 1.00 0.00 C ATOM 366 CZ TYR A 23 35.968 6.200 3.001 1.00 0.00 C ATOM 367 OH TYR A 23 36.643 7.342 2.605 1.00 0.00 O ATOM 0 H TYR A 23 33.550 0.044 4.053 1.00 0.00 H new ATOM 0 HA TYR A 23 35.906 1.805 4.424 1.00 0.00 H new ATOM 0 HB2 TYR A 23 33.462 2.170 3.218 1.00 0.00 H new ATOM 0 HB3 TYR A 23 33.146 2.798 4.823 1.00 0.00 H new ATOM 0 HD1 TYR A 23 35.675 2.953 2.124 1.00 0.00 H new ATOM 0 HD2 TYR A 23 33.729 5.061 5.261 1.00 0.00 H new ATOM 0 HE1 TYR A 23 36.827 5.009 1.442 1.00 0.00 H new ATOM 0 HE2 TYR A 23 34.940 7.111 4.647 1.00 0.00 H new ATOM 0 HH TYR A 23 36.403 8.085 3.197 1.00 0.00 H new ATOM 377 N PHE A 24 33.635 0.938 6.649 1.00 0.00 N ATOM 378 CA PHE A 24 33.210 0.836 8.037 1.00 0.00 C ATOM 379 C PHE A 24 34.106 -0.141 8.820 1.00 0.00 C ATOM 380 O PHE A 24 34.414 0.098 9.979 1.00 0.00 O ATOM 381 CB PHE A 24 31.730 0.383 8.115 1.00 0.00 C ATOM 382 CG PHE A 24 30.679 1.405 7.713 1.00 0.00 C ATOM 383 CD1 PHE A 24 30.812 2.213 6.583 1.00 0.00 C ATOM 384 CD2 PHE A 24 29.514 1.543 8.467 1.00 0.00 C ATOM 385 CE1 PHE A 24 29.838 3.126 6.221 1.00 0.00 C ATOM 386 CE2 PHE A 24 28.525 2.455 8.108 1.00 0.00 C ATOM 387 CZ PHE A 24 28.688 3.254 6.983 1.00 0.00 C ATOM 0 H PHE A 24 32.953 0.550 5.997 1.00 0.00 H new ATOM 0 HA PHE A 24 33.303 1.822 8.492 1.00 0.00 H new ATOM 0 HB2 PHE A 24 31.610 -0.496 7.481 1.00 0.00 H new ATOM 0 HB3 PHE A 24 31.524 0.068 9.138 1.00 0.00 H new ATOM 0 HD1 PHE A 24 31.700 2.123 5.974 1.00 0.00 H new ATOM 0 HD2 PHE A 24 29.376 0.931 9.346 1.00 0.00 H new ATOM 0 HE1 PHE A 24 29.974 3.740 5.343 1.00 0.00 H new ATOM 0 HE2 PHE A 24 27.629 2.542 8.705 1.00 0.00 H new ATOM 0 HZ PHE A 24 27.926 3.967 6.705 1.00 0.00 H new ATOM 397 N ALA A 25 34.519 -1.232 8.127 1.00 0.00 N ATOM 398 CA ALA A 25 35.450 -2.178 8.738 1.00 0.00 C ATOM 399 C ALA A 25 36.863 -1.588 8.843 1.00 0.00 C ATOM 400 O ALA A 25 37.613 -1.930 9.743 1.00 0.00 O ATOM 401 CB ALA A 25 35.517 -3.483 7.941 1.00 0.00 C ATOM 0 H ALA A 25 34.227 -1.463 7.177 1.00 0.00 H new ATOM 0 HA ALA A 25 35.073 -2.384 9.740 1.00 0.00 H new ATOM 0 HB1 ALA A 25 36.218 -4.167 8.420 1.00 0.00 H new ATOM 0 HB2 ALA A 25 34.528 -3.941 7.909 1.00 0.00 H new ATOM 0 HB3 ALA A 25 35.853 -3.272 6.926 1.00 0.00 H new ATOM 407 N CYS A 26 37.167 -0.681 7.885 1.00 0.00 N ATOM 408 CA CYS A 26 38.462 -0.007 7.889 1.00 0.00 C ATOM 409 C CYS A 26 38.431 1.311 8.686 1.00 0.00 C ATOM 410 O CYS A 26 39.360 2.098 8.601 1.00 0.00 O ATOM 411 CB CYS A 26 38.900 0.258 6.445 1.00 0.00 C ATOM 412 SG CYS A 26 40.350 -0.732 6.022 1.00 0.00 S ATOM 0 H CYS A 26 36.544 -0.412 7.124 1.00 0.00 H new ATOM 0 HA CYS A 26 39.180 -0.662 8.383 1.00 0.00 H new ATOM 0 HB2 CYS A 26 38.082 0.023 5.763 1.00 0.00 H new ATOM 0 HB3 CYS A 26 39.127 1.316 6.318 1.00 0.00 H new ATOM 0 HG CYS A 26 39.979 -1.945 5.736 1.00 0.00 H new ATOM 418 N GLU A 27 37.324 1.515 9.445 1.00 0.00 N ATOM 419 CA GLU A 27 37.129 2.758 10.194 1.00 0.00 C ATOM 420 C GLU A 27 37.050 3.956 9.235 1.00 0.00 C ATOM 421 O GLU A 27 37.983 4.738 9.112 1.00 0.00 O ATOM 422 CB GLU A 27 38.198 2.932 11.295 1.00 0.00 C ATOM 423 CG GLU A 27 38.257 4.367 11.892 1.00 0.00 C ATOM 424 CD GLU A 27 38.347 4.465 13.422 1.00 0.00 C ATOM 425 OE1 GLU A 27 38.311 3.439 14.099 1.00 0.00 O ATOM 426 OE2 GLU A 27 38.434 5.587 13.924 1.00 0.00 O ATOM 0 H GLU A 27 36.569 0.837 9.547 1.00 0.00 H new ATOM 0 HA GLU A 27 36.174 2.704 10.716 1.00 0.00 H new ATOM 0 HB2 GLU A 27 37.998 2.223 12.098 1.00 0.00 H new ATOM 0 HB3 GLU A 27 39.175 2.680 10.883 1.00 0.00 H new ATOM 0 HG2 GLU A 27 39.119 4.880 11.465 1.00 0.00 H new ATOM 0 HG3 GLU A 27 37.370 4.910 11.566 1.00 0.00 H new ATOM 433 N LYS A 28 35.875 4.027 8.584 1.00 0.00 N ATOM 434 CA LYS A 28 35.476 5.050 7.625 1.00 0.00 C ATOM 435 C LYS A 28 36.654 5.787 6.915 1.00 0.00 C ATOM 436 O LYS A 28 36.737 7.004 6.913 1.00 0.00 O ATOM 437 CB LYS A 28 34.574 6.066 8.339 1.00 0.00 C ATOM 438 CG LYS A 28 33.406 5.449 9.116 1.00 0.00 C ATOM 439 CD LYS A 28 32.366 4.770 8.217 1.00 0.00 C ATOM 440 CE LYS A 28 30.914 5.148 8.571 1.00 0.00 C ATOM 441 NZ LYS A 28 30.235 5.799 7.454 1.00 0.00 N ATOM 0 H LYS A 28 35.145 3.330 8.727 1.00 0.00 H new ATOM 0 HA LYS A 28 34.948 4.532 6.825 1.00 0.00 H new ATOM 0 HB2 LYS A 28 35.183 6.651 9.028 1.00 0.00 H new ATOM 0 HB3 LYS A 28 34.175 6.760 7.599 1.00 0.00 H new ATOM 0 HG2 LYS A 28 33.796 4.717 9.824 1.00 0.00 H new ATOM 0 HG3 LYS A 28 32.917 6.228 9.700 1.00 0.00 H new ATOM 0 HD2 LYS A 28 32.562 5.040 7.179 1.00 0.00 H new ATOM 0 HD3 LYS A 28 32.481 3.689 8.292 1.00 0.00 H new ATOM 0 HE2 LYS A 28 30.365 4.251 8.857 1.00 0.00 H new ATOM 0 HE3 LYS A 28 30.912 5.813 9.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 29.256 6.022 7.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 30.735 6.677 7.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 30.229 5.162 6.632 1.00 0.00 H new ATOM 455 N ASN A 29 37.563 4.959 6.349 1.00 0.00 N ATOM 456 CA ASN A 29 38.842 5.480 5.854 1.00 0.00 C ATOM 457 C ASN A 29 38.867 5.338 4.336 1.00 0.00 C ATOM 458 O ASN A 29 38.435 4.345 3.816 1.00 0.00 O ATOM 459 CB ASN A 29 39.986 4.624 6.443 1.00 0.00 C ATOM 460 CG ASN A 29 40.974 5.481 7.238 1.00 0.00 C ATOM 461 OD1 ASN A 29 42.127 5.647 6.856 1.00 0.00 O ATOM 462 ND2 ASN A 29 40.402 6.132 8.266 1.00 0.00 N ATOM 0 H ASN A 29 37.433 3.954 6.229 1.00 0.00 H new ATOM 0 HA ASN A 29 38.962 6.524 6.143 1.00 0.00 H new ATOM 0 HB2 ASN A 29 39.569 3.853 7.090 1.00 0.00 H new ATOM 0 HB3 ASN A 29 40.512 4.113 5.637 1.00 0.00 H new ATOM 0 HD21 ASN A 29 40.936 6.824 8.792 1.00 0.00 H new ATOM 0 HD22 ASN A 29 39.434 5.934 8.520 1.00 0.00 H new ATOM 469 N GLU A 30 39.415 6.397 3.685 1.00 0.00 N ATOM 470 CA GLU A 30 39.494 6.436 2.222 1.00 0.00 C ATOM 471 C GLU A 30 40.654 5.594 1.709 1.00 0.00 C ATOM 472 O GLU A 30 40.490 4.761 0.829 1.00 0.00 O ATOM 473 CB GLU A 30 39.567 7.879 1.691 1.00 0.00 C ATOM 474 CG GLU A 30 40.215 8.854 2.689 1.00 0.00 C ATOM 475 CD GLU A 30 40.472 10.249 2.094 1.00 0.00 C ATOM 476 OE1 GLU A 30 40.216 10.453 0.908 1.00 0.00 O ATOM 477 OE2 GLU A 30 40.931 11.121 2.830 1.00 0.00 O ATOM 0 H GLU A 30 39.800 7.218 4.152 1.00 0.00 H new ATOM 0 HA GLU A 30 38.573 6.000 1.836 1.00 0.00 H new ATOM 0 HB2 GLU A 30 40.134 7.890 0.760 1.00 0.00 H new ATOM 0 HB3 GLU A 30 38.561 8.225 1.455 1.00 0.00 H new ATOM 0 HG2 GLU A 30 39.570 8.952 3.562 1.00 0.00 H new ATOM 0 HG3 GLU A 30 41.159 8.434 3.036 1.00 0.00 H new ATOM 484 N ASN A 31 41.823 5.874 2.308 1.00 0.00 N ATOM 485 CA ASN A 31 43.051 5.225 1.880 1.00 0.00 C ATOM 486 C ASN A 31 43.009 3.724 2.204 1.00 0.00 C ATOM 487 O ASN A 31 43.321 2.880 1.376 1.00 0.00 O ATOM 488 CB ASN A 31 44.241 5.923 2.579 1.00 0.00 C ATOM 489 CG ASN A 31 45.171 6.513 1.519 1.00 0.00 C ATOM 490 OD1 ASN A 31 46.207 5.951 1.185 1.00 0.00 O ATOM 491 ND2 ASN A 31 44.652 7.607 0.930 1.00 0.00 N ATOM 0 H ASN A 31 41.933 6.536 3.076 1.00 0.00 H new ATOM 0 HA ASN A 31 43.167 5.314 0.800 1.00 0.00 H new ATOM 0 HB2 ASN A 31 43.879 6.710 3.241 1.00 0.00 H new ATOM 0 HB3 ASN A 31 44.783 5.209 3.199 1.00 0.00 H new ATOM 0 HD21 ASN A 31 45.130 8.034 0.137 1.00 0.00 H new ATOM 0 HD22 ASN A 31 43.781 8.008 1.277 1.00 0.00 H new ATOM 498 N LEU A 32 42.585 3.472 3.462 1.00 0.00 N ATOM 499 CA LEU A 32 42.542 2.114 3.986 1.00 0.00 C ATOM 500 C LEU A 32 41.448 1.267 3.315 1.00 0.00 C ATOM 501 O LEU A 32 41.589 0.062 3.165 1.00 0.00 O ATOM 502 CB LEU A 32 42.303 2.171 5.504 1.00 0.00 C ATOM 503 CG LEU A 32 43.043 1.067 6.268 1.00 0.00 C ATOM 504 CD1 LEU A 32 44.556 1.318 6.265 1.00 0.00 C ATOM 505 CD2 LEU A 32 42.517 0.945 7.702 1.00 0.00 C ATOM 0 H LEU A 32 42.274 4.190 4.116 1.00 0.00 H new ATOM 0 HA LEU A 32 43.497 1.636 3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 32 42.623 3.143 5.880 1.00 0.00 H new ATOM 0 HB3 LEU A 32 41.234 2.088 5.701 1.00 0.00 H new ATOM 0 HG LEU A 32 42.855 0.123 5.757 1.00 0.00 H new ATOM 0 HD11 LEU A 32 45.058 0.521 6.813 1.00 0.00 H new ATOM 0 HD12 LEU A 32 44.920 1.337 5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 32 44.767 2.275 6.742 1.00 0.00 H new ATOM 0 HD21 LEU A 32 43.059 0.155 8.222 1.00 0.00 H new ATOM 0 HD22 LEU A 32 42.663 1.890 8.225 1.00 0.00 H new ATOM 0 HD23 LEU A 32 41.454 0.703 7.680 1.00 0.00 H new ATOM 517 N ALA A 33 40.367 1.982 2.920 1.00 0.00 N ATOM 518 CA ALA A 33 39.286 1.328 2.196 1.00 0.00 C ATOM 519 C ALA A 33 39.691 0.954 0.777 1.00 0.00 C ATOM 520 O ALA A 33 39.350 -0.110 0.312 1.00 0.00 O ATOM 521 CB ALA A 33 38.076 2.224 2.112 1.00 0.00 C ATOM 0 H ALA A 33 40.235 2.979 3.090 1.00 0.00 H new ATOM 0 HA ALA A 33 39.052 0.421 2.754 1.00 0.00 H new ATOM 0 HB1 ALA A 33 37.282 1.713 1.567 1.00 0.00 H new ATOM 0 HB2 ALA A 33 37.730 2.463 3.118 1.00 0.00 H new ATOM 0 HB3 ALA A 33 38.340 3.144 1.591 1.00 0.00 H new ATOM 527 N ALA A 34 40.462 1.867 0.139 1.00 0.00 N ATOM 528 CA ALA A 34 41.013 1.576 -1.186 1.00 0.00 C ATOM 529 C ALA A 34 42.172 0.555 -1.115 1.00 0.00 C ATOM 530 O ALA A 34 42.841 0.293 -2.103 1.00 0.00 O ATOM 531 CB ALA A 34 41.496 2.880 -1.828 1.00 0.00 C ATOM 0 H ALA A 34 40.706 2.783 0.515 1.00 0.00 H new ATOM 0 HA ALA A 34 40.226 1.130 -1.794 1.00 0.00 H new ATOM 0 HB1 ALA A 34 41.907 2.669 -2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 34 40.658 3.570 -1.924 1.00 0.00 H new ATOM 0 HB3 ALA A 34 42.267 3.330 -1.202 1.00 0.00 H new ATOM 537 N ASN A 35 42.347 -0.003 0.106 1.00 0.00 N ATOM 538 CA ASN A 35 43.273 -1.088 0.372 1.00 0.00 C ATOM 539 C ASN A 35 42.510 -2.346 0.821 1.00 0.00 C ATOM 540 O ASN A 35 43.011 -3.440 0.699 1.00 0.00 O ATOM 541 CB ASN A 35 44.239 -0.658 1.493 1.00 0.00 C ATOM 542 CG ASN A 35 45.706 -0.647 1.034 1.00 0.00 C ATOM 543 OD1 ASN A 35 46.051 -1.028 -0.080 1.00 0.00 O ATOM 544 ND2 ASN A 35 46.512 -0.035 1.915 1.00 0.00 N ATOM 0 H ASN A 35 41.835 0.304 0.933 1.00 0.00 H new ATOM 0 HA ASN A 35 43.826 -1.316 -0.539 1.00 0.00 H new ATOM 0 HB2 ASN A 35 43.964 0.337 1.843 1.00 0.00 H new ATOM 0 HB3 ASN A 35 44.132 -1.335 2.340 1.00 0.00 H new ATOM 0 HD21 ASN A 35 47.487 0.143 1.676 1.00 0.00 H new ATOM 0 HD22 ASN A 35 46.149 0.252 2.824 1.00 0.00 H new ATOM 551 N PHE A 36 41.283 -2.137 1.352 1.00 0.00 N ATOM 552 CA PHE A 36 40.446 -3.288 1.705 1.00 0.00 C ATOM 553 C PHE A 36 39.580 -3.740 0.510 1.00 0.00 C ATOM 554 O PHE A 36 39.040 -4.831 0.483 1.00 0.00 O ATOM 555 CB PHE A 36 39.558 -2.919 2.896 1.00 0.00 C ATOM 556 CG PHE A 36 39.022 -4.143 3.588 1.00 0.00 C ATOM 557 CD1 PHE A 36 39.853 -4.899 4.405 1.00 0.00 C ATOM 558 CD2 PHE A 36 37.700 -4.536 3.426 1.00 0.00 C ATOM 559 CE1 PHE A 36 39.368 -6.023 5.058 1.00 0.00 C ATOM 560 CE2 PHE A 36 37.205 -5.651 4.083 1.00 0.00 C ATOM 561 CZ PHE A 36 38.040 -6.395 4.904 1.00 0.00 C ATOM 0 H PHE A 36 40.871 -1.222 1.536 1.00 0.00 H new ATOM 0 HA PHE A 36 41.095 -4.122 1.974 1.00 0.00 H new ATOM 0 HB2 PHE A 36 40.130 -2.321 3.605 1.00 0.00 H new ATOM 0 HB3 PHE A 36 38.728 -2.301 2.554 1.00 0.00 H new ATOM 0 HD1 PHE A 36 40.886 -4.609 4.533 1.00 0.00 H new ATOM 0 HD2 PHE A 36 37.049 -3.965 2.780 1.00 0.00 H new ATOM 0 HE1 PHE A 36 40.024 -6.608 5.686 1.00 0.00 H new ATOM 0 HE2 PHE A 36 36.172 -5.940 3.956 1.00 0.00 H new ATOM 0 HZ PHE A 36 37.657 -7.262 5.422 1.00 0.00 H new ATOM 571 N LEU A 37 39.501 -2.808 -0.461 1.00 0.00 N ATOM 572 CA LEU A 37 38.743 -2.986 -1.682 1.00 0.00 C ATOM 573 C LEU A 37 39.650 -3.493 -2.811 1.00 0.00 C ATOM 574 O LEU A 37 39.228 -4.287 -3.642 1.00 0.00 O ATOM 575 CB LEU A 37 38.130 -1.626 -2.033 1.00 0.00 C ATOM 576 CG LEU A 37 36.805 -1.376 -1.293 1.00 0.00 C ATOM 577 CD1 LEU A 37 36.713 -0.030 -0.594 1.00 0.00 C ATOM 578 CD2 LEU A 37 35.666 -1.507 -2.289 1.00 0.00 C ATOM 0 H LEU A 37 39.973 -1.906 -0.403 1.00 0.00 H new ATOM 0 HA LEU A 37 37.959 -3.732 -1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 37 38.838 -0.835 -1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 37 37.959 -1.573 -3.108 1.00 0.00 H new ATOM 0 HG LEU A 37 36.745 -2.122 -0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.745 0.058 -0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 37 37.508 0.050 0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 37 36.820 0.769 -1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 37 34.717 -1.333 -1.782 1.00 0.00 H new ATOM 0 HD22 LEU A 37 35.792 -0.773 -3.085 1.00 0.00 H new ATOM 0 HD23 LEU A 37 35.670 -2.510 -2.717 1.00 0.00 H new ATOM 590 N LEU A 38 40.899 -2.976 -2.796 1.00 0.00 N ATOM 591 CA LEU A 38 41.846 -3.222 -3.885 1.00 0.00 C ATOM 592 C LEU A 38 43.035 -4.074 -3.418 1.00 0.00 C ATOM 593 O LEU A 38 43.878 -4.475 -4.211 1.00 0.00 O ATOM 594 CB LEU A 38 42.346 -1.885 -4.454 1.00 0.00 C ATOM 595 CG LEU A 38 41.281 -0.782 -4.506 1.00 0.00 C ATOM 596 CD1 LEU A 38 41.851 0.489 -5.140 1.00 0.00 C ATOM 597 CD2 LEU A 38 40.015 -1.227 -5.231 1.00 0.00 C ATOM 0 H LEU A 38 41.264 -2.391 -2.044 1.00 0.00 H new ATOM 0 HA LEU A 38 41.325 -3.778 -4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 38 43.183 -1.537 -3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 38 42.728 -2.052 -5.461 1.00 0.00 H new ATOM 0 HG LEU A 38 40.996 -0.565 -3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 38 41.080 1.259 -5.168 1.00 0.00 H new ATOM 0 HD12 LEU A 38 42.696 0.843 -4.549 1.00 0.00 H new ATOM 0 HD13 LEU A 38 42.183 0.272 -6.155 1.00 0.00 H new ATOM 0 HD21 LEU A 38 39.294 -0.409 -5.239 1.00 0.00 H new ATOM 0 HD22 LEU A 38 40.261 -1.504 -6.256 1.00 0.00 H new ATOM 0 HD23 LEU A 38 39.584 -2.086 -4.716 1.00 0.00 H new ATOM 609 N SER A 39 43.052 -4.312 -2.094 1.00 0.00 N ATOM 610 CA SER A 39 44.140 -5.058 -1.484 1.00 0.00 C ATOM 611 C SER A 39 43.586 -5.895 -0.319 1.00 0.00 C ATOM 612 O SER A 39 44.273 -6.152 0.649 1.00 0.00 O ATOM 613 CB SER A 39 45.236 -4.063 -1.039 1.00 0.00 C ATOM 614 OG SER A 39 46.473 -4.412 -1.637 1.00 0.00 O ATOM 0 H SER A 39 42.331 -3.999 -1.444 1.00 0.00 H new ATOM 0 HA SER A 39 44.593 -5.752 -2.193 1.00 0.00 H new ATOM 0 HB2 SER A 39 44.957 -3.049 -1.325 1.00 0.00 H new ATOM 0 HB3 SER A 39 45.331 -4.074 0.047 1.00 0.00 H new ATOM 0 HG SER A 39 47.164 -3.778 -1.353 1.00 0.00 H new ATOM 620 N GLN A 40 42.287 -6.285 -0.495 1.00 0.00 N ATOM 621 CA GLN A 40 41.579 -7.161 0.446 1.00 0.00 C ATOM 622 C GLN A 40 42.470 -8.318 0.935 1.00 0.00 C ATOM 623 O GLN A 40 42.473 -8.678 2.099 1.00 0.00 O ATOM 624 CB GLN A 40 40.306 -7.716 -0.226 1.00 0.00 C ATOM 625 CG GLN A 40 39.454 -8.606 0.708 1.00 0.00 C ATOM 626 CD GLN A 40 39.802 -10.102 0.588 1.00 0.00 C ATOM 627 OE1 GLN A 40 40.505 -10.674 1.409 1.00 0.00 O ATOM 628 NE2 GLN A 40 39.240 -10.690 -0.487 1.00 0.00 N ATOM 0 H GLN A 40 41.720 -5.995 -1.292 1.00 0.00 H new ATOM 0 HA GLN A 40 41.308 -6.569 1.320 1.00 0.00 H new ATOM 0 HB2 GLN A 40 39.697 -6.883 -0.576 1.00 0.00 H new ATOM 0 HB3 GLN A 40 40.591 -8.294 -1.105 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.599 -8.286 1.740 1.00 0.00 H new ATOM 0 HG3 GLN A 40 38.399 -8.463 0.475 1.00 0.00 H new ATOM 0 HE21 GLN A 40 38.665 -10.141 -1.126 1.00 0.00 H new ATOM 0 HE22 GLN A 40 39.390 -11.684 -0.661 1.00 0.00 H new ATOM 637 N ASN A 41 43.220 -8.848 -0.065 1.00 0.00 N ATOM 638 CA ASN A 41 44.118 -9.970 0.177 1.00 0.00 C ATOM 639 C ASN A 41 45.556 -9.456 0.008 1.00 0.00 C ATOM 640 O ASN A 41 45.816 -8.278 0.187 1.00 0.00 O ATOM 641 CB ASN A 41 43.741 -11.102 -0.800 1.00 0.00 C ATOM 642 CG ASN A 41 43.873 -12.477 -0.132 1.00 0.00 C ATOM 643 OD1 ASN A 41 43.295 -12.731 0.917 1.00 0.00 O ATOM 644 ND2 ASN A 41 44.648 -13.344 -0.806 1.00 0.00 N ATOM 0 H ASN A 41 43.211 -8.511 -1.028 1.00 0.00 H new ATOM 0 HA ASN A 41 44.035 -10.380 1.184 1.00 0.00 H new ATOM 0 HB2 ASN A 41 42.718 -10.960 -1.148 1.00 0.00 H new ATOM 0 HB3 ASN A 41 44.385 -11.058 -1.678 1.00 0.00 H new ATOM 0 HD21 ASN A 41 44.787 -14.289 -0.448 1.00 0.00 H new ATOM 0 HD22 ASN A 41 45.097 -13.057 -1.676 1.00 0.00 H new ATOM 651 N PHE A 42 46.459 -10.409 -0.349 1.00 0.00 N ATOM 652 CA PHE A 42 47.876 -10.085 -0.523 1.00 0.00 C ATOM 653 C PHE A 42 48.288 -10.368 -1.978 1.00 0.00 C ATOM 654 O PHE A 42 48.397 -9.460 -2.790 1.00 0.00 O ATOM 655 CB PHE A 42 48.735 -10.864 0.513 1.00 0.00 C ATOM 656 CG PHE A 42 49.564 -9.997 1.430 1.00 0.00 C ATOM 657 CD1 PHE A 42 50.156 -8.813 0.992 1.00 0.00 C ATOM 658 CD2 PHE A 42 49.760 -10.390 2.751 1.00 0.00 C ATOM 659 CE1 PHE A 42 50.899 -8.029 1.860 1.00 0.00 C ATOM 660 CE2 PHE A 42 50.511 -9.611 3.622 1.00 0.00 C ATOM 661 CZ PHE A 42 51.076 -8.426 3.177 1.00 0.00 C ATOM 0 H PHE A 42 46.223 -11.387 -0.516 1.00 0.00 H new ATOM 0 HA PHE A 42 48.049 -9.025 -0.335 1.00 0.00 H new ATOM 0 HB2 PHE A 42 48.074 -11.482 1.120 1.00 0.00 H new ATOM 0 HB3 PHE A 42 49.400 -11.541 -0.023 1.00 0.00 H new ATOM 0 HD1 PHE A 42 50.034 -8.503 -0.035 1.00 0.00 H new ATOM 0 HD2 PHE A 42 49.323 -11.312 3.103 1.00 0.00 H new ATOM 0 HE1 PHE A 42 51.341 -7.108 1.510 1.00 0.00 H new ATOM 0 HE2 PHE A 42 50.654 -9.928 4.644 1.00 0.00 H new ATOM 0 HZ PHE A 42 51.653 -7.813 3.854 1.00 0.00 H new ATOM 671 N ASP A 43 48.520 -11.673 -2.247 1.00 0.00 N ATOM 672 CA ASP A 43 49.009 -12.074 -3.561 1.00 0.00 C ATOM 673 C ASP A 43 48.744 -13.563 -3.828 1.00 0.00 C ATOM 674 O ASP A 43 49.307 -14.128 -4.753 1.00 0.00 O ATOM 675 CB ASP A 43 50.523 -11.759 -3.681 1.00 0.00 C ATOM 676 CG ASP A 43 50.816 -10.889 -4.919 1.00 0.00 C ATOM 677 OD1 ASP A 43 50.643 -11.373 -6.038 1.00 0.00 O ATOM 678 OD2 ASP A 43 51.212 -9.736 -4.749 1.00 0.00 O ATOM 0 H ASP A 43 48.378 -12.437 -1.586 1.00 0.00 H new ATOM 0 HA ASP A 43 48.466 -11.504 -4.315 1.00 0.00 H new ATOM 0 HB2 ASP A 43 50.862 -11.243 -2.783 1.00 0.00 H new ATOM 0 HB3 ASP A 43 51.087 -12.690 -3.746 1.00 0.00 H new ATOM 683 N ASP A 44 47.854 -14.144 -2.984 1.00 0.00 N ATOM 684 CA ASP A 44 47.414 -15.536 -3.114 1.00 0.00 C ATOM 685 C ASP A 44 48.610 -16.492 -2.908 1.00 0.00 C ATOM 686 O ASP A 44 49.467 -16.613 -3.772 1.00 0.00 O ATOM 687 CB ASP A 44 46.732 -15.809 -4.478 1.00 0.00 C ATOM 688 CG ASP A 44 45.825 -14.653 -4.966 1.00 0.00 C ATOM 689 OD1 ASP A 44 46.336 -13.737 -5.612 1.00 0.00 O ATOM 690 OD2 ASP A 44 44.620 -14.687 -4.713 1.00 0.00 O ATOM 0 H ASP A 44 47.428 -13.652 -2.199 1.00 0.00 H new ATOM 0 HA ASP A 44 46.668 -15.718 -2.340 1.00 0.00 H new ATOM 0 HB2 ASP A 44 47.501 -15.996 -5.227 1.00 0.00 H new ATOM 0 HB3 ASP A 44 46.136 -16.718 -4.400 1.00 0.00 H new ATOM 695 N GLU A 45 48.623 -17.167 -1.737 1.00 0.00 N ATOM 696 CA GLU A 45 49.722 -18.094 -1.447 1.00 0.00 C ATOM 697 C GLU A 45 49.507 -19.441 -2.195 1.00 0.00 C ATOM 698 O GLU A 45 49.251 -19.421 -3.399 1.00 0.00 O ATOM 699 CB GLU A 45 49.860 -18.288 0.081 1.00 0.00 C ATOM 700 CG GLU A 45 50.526 -17.098 0.798 1.00 0.00 C ATOM 701 CD GLU A 45 49.540 -16.147 1.507 1.00 0.00 C ATOM 702 OE1 GLU A 45 48.453 -15.913 0.982 1.00 0.00 O ATOM 703 OE2 GLU A 45 49.873 -15.647 2.583 1.00 0.00 O ATOM 704 OXT GLU A 45 49.604 -20.499 -1.573 1.00 0.00 O ATOM 0 H GLU A 45 47.913 -17.089 -1.009 1.00 0.00 H new ATOM 0 HA GLU A 45 50.659 -17.672 -1.810 1.00 0.00 H new ATOM 0 HB2 GLU A 45 48.871 -18.451 0.509 1.00 0.00 H new ATOM 0 HB3 GLU A 45 50.443 -19.189 0.273 1.00 0.00 H new ATOM 0 HG2 GLU A 45 51.233 -17.482 1.533 1.00 0.00 H new ATOM 0 HG3 GLU A 45 51.102 -16.527 0.070 1.00 0.00 H new TER 711 GLU A 45