USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 348 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=-0.000765 X(o=-0.00076,f=-0.17) USER MOD Single : A 1 GLN N :NH3+ -166:sc= -0.0904 (180deg=-0.359) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -117:sc= -0.366 (180deg=-1.18) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.0154 X(o=-0.015,f=0) USER MOD Single : A 23 TYR OH : rot -109:sc= 0.622 USER MOD Single : A 26 CYS SG : rot -29:sc= -3.86! USER MOD Single : A 28 LYS NZ :NH3+ -158:sc= 0.47 (180deg=-1.26) USER MOD Single : A 29 ASN : amide:sc= -0.239 K(o=-0.24,f=-2!) USER MOD Single : A 31 ASN : amide:sc= -0.169 K(o=-0.17,f=-1.5!) USER MOD Single : A 35 ASN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -1.51 K(o=-1.5,f=-0.64) USER MOD Single : A 41 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 30.790 -4.519 -12.151 1.00 0.00 N ATOM 2 CA GLN A 1 29.888 -5.342 -11.348 1.00 0.00 C ATOM 3 C GLN A 1 29.849 -4.893 -9.874 1.00 0.00 C ATOM 4 O GLN A 1 28.853 -5.059 -9.185 1.00 0.00 O ATOM 5 CB GLN A 1 30.188 -6.852 -11.430 1.00 0.00 C ATOM 6 CG GLN A 1 31.528 -7.275 -10.788 1.00 0.00 C ATOM 7 CD GLN A 1 31.520 -8.759 -10.395 1.00 0.00 C ATOM 8 OE1 GLN A 1 30.647 -9.227 -9.683 1.00 0.00 O ATOM 9 NE2 GLN A 1 32.571 -9.458 -10.871 1.00 0.00 N ATOM 0 H1 GLN A 1 30.612 -4.693 -13.161 1.00 0.00 H new ATOM 0 H2 GLN A 1 30.625 -3.514 -11.939 1.00 0.00 H new ATOM 0 H3 GLN A 1 31.776 -4.763 -11.926 1.00 0.00 H new ATOM 0 HA GLN A 1 28.904 -5.186 -11.790 1.00 0.00 H new ATOM 0 HB2 GLN A 1 29.379 -7.397 -10.944 1.00 0.00 H new ATOM 0 HB3 GLN A 1 30.191 -7.153 -12.478 1.00 0.00 H new ATOM 0 HG2 GLN A 1 32.343 -7.087 -11.487 1.00 0.00 H new ATOM 0 HG3 GLN A 1 31.718 -6.665 -9.905 1.00 0.00 H new ATOM 0 HE21 GLN A 1 33.263 -8.998 -11.462 1.00 0.00 H new ATOM 0 HE22 GLN A 1 32.673 -10.446 -10.640 1.00 0.00 H new ATOM 20 N GLU A 2 31.005 -4.335 -9.445 1.00 0.00 N ATOM 21 CA GLU A 2 31.204 -3.940 -8.056 1.00 0.00 C ATOM 22 C GLU A 2 31.160 -2.416 -7.900 1.00 0.00 C ATOM 23 O GLU A 2 31.144 -1.914 -6.789 1.00 0.00 O ATOM 24 CB GLU A 2 32.519 -4.555 -7.549 1.00 0.00 C ATOM 25 CG GLU A 2 32.717 -4.450 -6.021 1.00 0.00 C ATOM 26 CD GLU A 2 33.533 -3.205 -5.604 1.00 0.00 C ATOM 27 OE1 GLU A 2 34.610 -3.012 -6.153 1.00 0.00 O ATOM 28 OE2 GLU A 2 33.099 -2.445 -4.735 1.00 0.00 O ATOM 0 H GLU A 2 31.806 -4.154 -10.050 1.00 0.00 H new ATOM 0 HA GLU A 2 30.389 -4.322 -7.441 1.00 0.00 H new ATOM 0 HB2 GLU A 2 32.551 -5.606 -7.837 1.00 0.00 H new ATOM 0 HB3 GLU A 2 33.354 -4.062 -8.047 1.00 0.00 H new ATOM 0 HG2 GLU A 2 31.742 -4.419 -5.535 1.00 0.00 H new ATOM 0 HG3 GLU A 2 33.223 -5.347 -5.663 1.00 0.00 H new ATOM 35 N LYS A 3 31.103 -1.726 -9.066 1.00 0.00 N ATOM 36 CA LYS A 3 31.018 -0.268 -9.160 1.00 0.00 C ATOM 37 C LYS A 3 29.879 0.355 -8.342 1.00 0.00 C ATOM 38 O LYS A 3 29.918 1.534 -8.021 1.00 0.00 O ATOM 39 CB LYS A 3 30.982 0.157 -10.628 1.00 0.00 C ATOM 40 CG LYS A 3 29.877 -0.501 -11.474 1.00 0.00 C ATOM 41 CD LYS A 3 28.655 0.405 -11.670 1.00 0.00 C ATOM 42 CE LYS A 3 27.799 -0.032 -12.865 1.00 0.00 C ATOM 43 NZ LYS A 3 27.024 1.071 -13.422 1.00 0.00 N ATOM 0 H LYS A 3 31.116 -2.186 -9.976 1.00 0.00 H new ATOM 0 HA LYS A 3 31.921 0.130 -8.697 1.00 0.00 H new ATOM 0 HB2 LYS A 3 30.857 1.239 -10.673 1.00 0.00 H new ATOM 0 HB3 LYS A 3 31.947 -0.071 -11.079 1.00 0.00 H new ATOM 0 HG2 LYS A 3 30.284 -0.769 -12.449 1.00 0.00 H new ATOM 0 HG3 LYS A 3 29.562 -1.428 -10.994 1.00 0.00 H new ATOM 0 HD2 LYS A 3 28.047 0.394 -10.765 1.00 0.00 H new ATOM 0 HD3 LYS A 3 28.986 1.433 -11.818 1.00 0.00 H new ATOM 0 HE2 LYS A 3 28.444 -0.447 -13.639 1.00 0.00 H new ATOM 0 HE3 LYS A 3 27.122 -0.828 -12.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 26.461 0.728 -14.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 26.388 1.452 -12.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 27.669 1.820 -13.745 1.00 0.00 H new ATOM 57 N GLU A 4 28.895 -0.502 -8.005 1.00 0.00 N ATOM 58 CA GLU A 4 27.778 -0.087 -7.169 1.00 0.00 C ATOM 59 C GLU A 4 28.223 0.249 -5.738 1.00 0.00 C ATOM 60 O GLU A 4 27.819 1.240 -5.151 1.00 0.00 O ATOM 61 CB GLU A 4 26.753 -1.237 -7.116 1.00 0.00 C ATOM 62 CG GLU A 4 25.480 -0.905 -7.894 1.00 0.00 C ATOM 63 CD GLU A 4 24.642 0.237 -7.263 1.00 0.00 C ATOM 64 OE1 GLU A 4 25.159 1.012 -6.455 1.00 0.00 O ATOM 65 OE2 GLU A 4 23.461 0.338 -7.590 1.00 0.00 O ATOM 0 H GLU A 4 28.861 -1.477 -8.302 1.00 0.00 H new ATOM 0 HA GLU A 4 27.343 0.813 -7.603 1.00 0.00 H new ATOM 0 HB2 GLU A 4 27.202 -2.142 -7.525 1.00 0.00 H new ATOM 0 HB3 GLU A 4 26.499 -1.448 -6.077 1.00 0.00 H new ATOM 0 HG2 GLU A 4 25.750 -0.625 -8.912 1.00 0.00 H new ATOM 0 HG3 GLU A 4 24.863 -1.801 -7.963 1.00 0.00 H new ATOM 72 N ALA A 5 29.082 -0.653 -5.222 1.00 0.00 N ATOM 73 CA ALA A 5 29.632 -0.400 -3.906 1.00 0.00 C ATOM 74 C ALA A 5 30.727 0.668 -3.965 1.00 0.00 C ATOM 75 O ALA A 5 31.089 1.199 -2.929 1.00 0.00 O ATOM 76 CB ALA A 5 30.111 -1.700 -3.260 1.00 0.00 C ATOM 0 H ALA A 5 29.388 -1.513 -5.678 1.00 0.00 H new ATOM 0 HA ALA A 5 28.843 -0.002 -3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 5 30.520 -1.486 -2.273 1.00 0.00 H new ATOM 0 HB2 ALA A 5 29.272 -2.389 -3.164 1.00 0.00 H new ATOM 0 HB3 ALA A 5 30.883 -2.153 -3.882 1.00 0.00 H new ATOM 82 N ILE A 6 31.239 1.003 -5.167 1.00 0.00 N ATOM 83 CA ILE A 6 32.351 1.961 -5.205 1.00 0.00 C ATOM 84 C ILE A 6 31.873 3.395 -4.950 1.00 0.00 C ATOM 85 O ILE A 6 32.619 4.211 -4.439 1.00 0.00 O ATOM 86 CB ILE A 6 33.191 1.852 -6.489 1.00 0.00 C ATOM 87 CG1 ILE A 6 33.564 0.392 -6.768 1.00 0.00 C ATOM 88 CG2 ILE A 6 34.473 2.710 -6.448 1.00 0.00 C ATOM 89 CD1 ILE A 6 34.348 0.226 -8.079 1.00 0.00 C ATOM 0 H ILE A 6 30.922 0.648 -6.069 1.00 0.00 H new ATOM 0 HA ILE A 6 33.018 1.691 -4.386 1.00 0.00 H new ATOM 0 HB ILE A 6 32.565 2.238 -7.294 1.00 0.00 H new ATOM 0 HG12 ILE A 6 34.161 0.008 -5.940 1.00 0.00 H new ATOM 0 HG13 ILE A 6 32.656 -0.210 -6.812 1.00 0.00 H new ATOM 0 HG21 ILE A 6 35.021 2.590 -7.382 1.00 0.00 H new ATOM 0 HG22 ILE A 6 34.205 3.758 -6.317 1.00 0.00 H new ATOM 0 HG23 ILE A 6 35.099 2.389 -5.616 1.00 0.00 H new ATOM 0 HD11 ILE A 6 34.587 -0.827 -8.229 1.00 0.00 H new ATOM 0 HD12 ILE A 6 33.743 0.583 -8.912 1.00 0.00 H new ATOM 0 HD13 ILE A 6 35.271 0.804 -8.027 1.00 0.00 H new ATOM 101 N GLU A 7 30.597 3.650 -5.296 1.00 0.00 N ATOM 102 CA GLU A 7 30.014 4.956 -4.999 1.00 0.00 C ATOM 103 C GLU A 7 29.480 5.014 -3.557 1.00 0.00 C ATOM 104 O GLU A 7 29.229 6.084 -3.027 1.00 0.00 O ATOM 105 CB GLU A 7 28.909 5.260 -6.018 1.00 0.00 C ATOM 106 CG GLU A 7 27.809 4.185 -6.060 1.00 0.00 C ATOM 107 CD GLU A 7 26.662 4.561 -7.015 1.00 0.00 C ATOM 108 OE1 GLU A 7 26.937 4.930 -8.157 1.00 0.00 O ATOM 109 OE2 GLU A 7 25.501 4.480 -6.610 1.00 0.00 O ATOM 0 H GLU A 7 29.975 2.991 -5.764 1.00 0.00 H new ATOM 0 HA GLU A 7 30.789 5.719 -5.079 1.00 0.00 H new ATOM 0 HB2 GLU A 7 28.458 6.223 -5.778 1.00 0.00 H new ATOM 0 HB3 GLU A 7 29.354 5.354 -7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 7 28.243 3.236 -6.373 1.00 0.00 H new ATOM 0 HG3 GLU A 7 27.410 4.037 -5.057 1.00 0.00 H new ATOM 116 N ARG A 8 29.327 3.805 -2.966 1.00 0.00 N ATOM 117 CA ARG A 8 28.783 3.675 -1.621 1.00 0.00 C ATOM 118 C ARG A 8 29.890 3.841 -0.587 1.00 0.00 C ATOM 119 O ARG A 8 29.807 4.693 0.278 1.00 0.00 O ATOM 120 CB ARG A 8 28.095 2.305 -1.494 1.00 0.00 C ATOM 121 CG ARG A 8 26.682 2.404 -0.899 1.00 0.00 C ATOM 122 CD ARG A 8 25.675 1.487 -1.603 1.00 0.00 C ATOM 123 NE ARG A 8 25.250 0.398 -0.733 1.00 0.00 N ATOM 124 CZ ARG A 8 24.510 -0.630 -1.204 1.00 0.00 C ATOM 125 NH1 ARG A 8 24.192 -0.706 -2.496 1.00 0.00 N ATOM 126 NH2 ARG A 8 24.097 -1.574 -0.365 1.00 0.00 N ATOM 0 H ARG A 8 29.575 2.920 -3.408 1.00 0.00 H new ATOM 0 HA ARG A 8 28.046 4.457 -1.438 1.00 0.00 H new ATOM 0 HB2 ARG A 8 28.039 1.839 -2.478 1.00 0.00 H new ATOM 0 HB3 ARG A 8 28.704 1.654 -0.867 1.00 0.00 H new ATOM 0 HG2 ARG A 8 26.720 2.149 0.160 1.00 0.00 H new ATOM 0 HG3 ARG A 8 26.336 3.435 -0.966 1.00 0.00 H new ATOM 0 HD2 ARG A 8 24.806 2.068 -1.913 1.00 0.00 H new ATOM 0 HD3 ARG A 8 26.124 1.078 -2.508 1.00 0.00 H new ATOM 0 HE ARG A 8 25.516 0.412 0.251 1.00 0.00 H new ATOM 0 HH11 ARG A 8 24.508 0.017 -3.142 1.00 0.00 H new ATOM 0 HH12 ARG A 8 23.633 -1.487 -2.838 1.00 0.00 H new ATOM 0 HH21 ARG A 8 24.339 -1.518 0.624 1.00 0.00 H new ATOM 0 HH22 ARG A 8 23.538 -2.354 -0.710 1.00 0.00 H new ATOM 140 N LEU A 9 30.922 2.987 -0.779 1.00 0.00 N ATOM 141 CA LEU A 9 32.190 2.993 -0.063 1.00 0.00 C ATOM 142 C LEU A 9 32.789 4.421 -0.114 1.00 0.00 C ATOM 143 O LEU A 9 33.122 5.008 0.901 1.00 0.00 O ATOM 144 CB LEU A 9 33.127 1.950 -0.682 1.00 0.00 C ATOM 145 CG LEU A 9 32.592 0.505 -0.678 1.00 0.00 C ATOM 146 CD1 LEU A 9 33.240 -0.263 -1.835 1.00 0.00 C ATOM 147 CD2 LEU A 9 32.818 -0.213 0.646 1.00 0.00 C ATOM 0 H LEU A 9 30.876 2.243 -1.475 1.00 0.00 H new ATOM 0 HA LEU A 9 32.047 2.726 0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 9 33.338 2.240 -1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 9 34.075 1.971 -0.144 1.00 0.00 H new ATOM 0 HG LEU A 9 31.511 0.546 -0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 9 32.870 -1.288 -1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 9 32.989 0.221 -2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 9 34.322 -0.269 -1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 9 32.419 -1.225 0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 9 33.886 -0.256 0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 9 32.311 0.328 1.445 1.00 0.00 H new ATOM 159 N LYS A 10 32.837 4.973 -1.347 1.00 0.00 N ATOM 160 CA LYS A 10 33.266 6.366 -1.506 1.00 0.00 C ATOM 161 C LYS A 10 32.366 7.374 -0.751 1.00 0.00 C ATOM 162 O LYS A 10 32.850 8.359 -0.216 1.00 0.00 O ATOM 163 CB LYS A 10 33.243 6.760 -2.987 1.00 0.00 C ATOM 164 CG LYS A 10 34.491 6.329 -3.755 1.00 0.00 C ATOM 165 CD LYS A 10 34.517 6.808 -5.214 1.00 0.00 C ATOM 166 CE LYS A 10 33.890 8.185 -5.421 1.00 0.00 C ATOM 167 NZ LYS A 10 34.537 9.200 -4.589 1.00 0.00 N ATOM 0 H LYS A 10 32.593 4.491 -2.212 1.00 0.00 H new ATOM 0 HA LYS A 10 34.271 6.413 -1.087 1.00 0.00 H new ATOM 0 HB2 LYS A 10 32.366 6.317 -3.458 1.00 0.00 H new ATOM 0 HB3 LYS A 10 33.135 7.842 -3.065 1.00 0.00 H new ATOM 0 HG2 LYS A 10 35.373 6.712 -3.241 1.00 0.00 H new ATOM 0 HG3 LYS A 10 34.559 5.241 -3.738 1.00 0.00 H new ATOM 0 HD2 LYS A 10 35.550 6.834 -5.560 1.00 0.00 H new ATOM 0 HD3 LYS A 10 33.991 6.082 -5.834 1.00 0.00 H new ATOM 0 HE2 LYS A 10 33.970 8.468 -6.470 1.00 0.00 H new ATOM 0 HE3 LYS A 10 32.827 8.141 -5.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 33.847 9.587 -3.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 35.327 8.769 -4.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 34.898 9.966 -5.193 1.00 0.00 H new ATOM 181 N ALA A 11 31.044 7.087 -0.770 1.00 0.00 N ATOM 182 CA ALA A 11 30.068 8.006 -0.180 1.00 0.00 C ATOM 183 C ALA A 11 30.214 8.140 1.349 1.00 0.00 C ATOM 184 O ALA A 11 29.754 9.114 1.928 1.00 0.00 O ATOM 185 CB ALA A 11 28.637 7.575 -0.523 1.00 0.00 C ATOM 0 H ALA A 11 30.644 6.243 -1.180 1.00 0.00 H new ATOM 0 HA ALA A 11 30.273 8.984 -0.615 1.00 0.00 H new ATOM 0 HB1 ALA A 11 27.930 8.272 -0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 11 28.507 7.573 -1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 11 28.456 6.573 -0.134 1.00 0.00 H new ATOM 191 N LEU A 12 30.890 7.140 1.962 1.00 0.00 N ATOM 192 CA LEU A 12 31.166 7.202 3.394 1.00 0.00 C ATOM 193 C LEU A 12 32.339 8.176 3.721 1.00 0.00 C ATOM 194 O LEU A 12 32.734 8.290 4.872 1.00 0.00 O ATOM 195 CB LEU A 12 31.517 5.792 3.893 1.00 0.00 C ATOM 196 CG LEU A 12 30.379 4.746 3.949 1.00 0.00 C ATOM 197 CD1 LEU A 12 30.515 3.726 2.819 1.00 0.00 C ATOM 198 CD2 LEU A 12 30.397 3.972 5.269 1.00 0.00 C ATOM 0 H LEU A 12 31.241 6.306 1.492 1.00 0.00 H new ATOM 0 HA LEU A 12 30.275 7.580 3.896 1.00 0.00 H new ATOM 0 HB2 LEU A 12 32.305 5.396 3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 12 31.937 5.885 4.895 1.00 0.00 H new ATOM 0 HG LEU A 12 29.446 5.300 3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 12 29.702 3.002 2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 12 30.470 4.239 1.858 1.00 0.00 H new ATOM 0 HD13 LEU A 12 31.470 3.208 2.909 1.00 0.00 H new ATOM 0 HD21 LEU A 12 29.585 3.245 5.276 1.00 0.00 H new ATOM 0 HD22 LEU A 12 31.350 3.452 5.373 1.00 0.00 H new ATOM 0 HD23 LEU A 12 30.270 4.666 6.100 1.00 0.00 H new ATOM 210 N GLY A 13 32.857 8.866 2.671 1.00 0.00 N ATOM 211 CA GLY A 13 33.910 9.871 2.826 1.00 0.00 C ATOM 212 C GLY A 13 35.300 9.337 2.453 1.00 0.00 C ATOM 213 O GLY A 13 36.312 9.834 2.934 1.00 0.00 O ATOM 0 H GLY A 13 32.551 8.734 1.707 1.00 0.00 H new ATOM 0 HA2 GLY A 13 33.677 10.734 2.202 1.00 0.00 H new ATOM 0 HA3 GLY A 13 33.925 10.219 3.859 1.00 0.00 H new ATOM 217 N PHE A 14 35.277 8.287 1.593 1.00 0.00 N ATOM 218 CA PHE A 14 36.490 7.561 1.222 1.00 0.00 C ATOM 219 C PHE A 14 36.872 7.939 -0.224 1.00 0.00 C ATOM 220 O PHE A 14 36.688 9.080 -0.636 1.00 0.00 O ATOM 221 CB PHE A 14 36.254 6.042 1.419 1.00 0.00 C ATOM 222 CG PHE A 14 35.699 5.684 2.778 1.00 0.00 C ATOM 223 CD1 PHE A 14 35.893 6.501 3.895 1.00 0.00 C ATOM 224 CD2 PHE A 14 34.936 4.529 2.925 1.00 0.00 C ATOM 225 CE1 PHE A 14 35.247 6.230 5.085 1.00 0.00 C ATOM 226 CE2 PHE A 14 34.292 4.252 4.121 1.00 0.00 C ATOM 227 CZ PHE A 14 34.426 5.129 5.191 1.00 0.00 C ATOM 0 H PHE A 14 34.427 7.935 1.152 1.00 0.00 H new ATOM 0 HA PHE A 14 37.331 7.834 1.859 1.00 0.00 H new ATOM 0 HB2 PHE A 14 35.567 5.688 0.651 1.00 0.00 H new ATOM 0 HB3 PHE A 14 37.196 5.515 1.271 1.00 0.00 H new ATOM 0 HD1 PHE A 14 36.554 7.352 3.827 1.00 0.00 H new ATOM 0 HD2 PHE A 14 34.845 3.841 2.098 1.00 0.00 H new ATOM 0 HE1 PHE A 14 35.386 6.883 5.934 1.00 0.00 H new ATOM 0 HE2 PHE A 14 33.690 3.361 4.221 1.00 0.00 H new ATOM 0 HZ PHE A 14 33.885 4.947 6.108 1.00 0.00 H new ATOM 237 N GLU A 15 37.414 6.945 -0.963 1.00 0.00 N ATOM 238 CA GLU A 15 37.902 7.178 -2.320 1.00 0.00 C ATOM 239 C GLU A 15 38.031 5.828 -3.013 1.00 0.00 C ATOM 240 O GLU A 15 38.462 4.862 -2.397 1.00 0.00 O ATOM 241 CB GLU A 15 39.266 7.895 -2.287 1.00 0.00 C ATOM 242 CG GLU A 15 39.598 8.641 -3.591 1.00 0.00 C ATOM 243 CD GLU A 15 40.310 9.993 -3.368 1.00 0.00 C ATOM 244 OE1 GLU A 15 41.052 10.135 -2.395 1.00 0.00 O ATOM 245 OE2 GLU A 15 40.111 10.900 -4.179 1.00 0.00 O ATOM 0 H GLU A 15 37.519 5.985 -0.636 1.00 0.00 H new ATOM 0 HA GLU A 15 37.205 7.815 -2.864 1.00 0.00 H new ATOM 0 HB2 GLU A 15 39.275 8.604 -1.459 1.00 0.00 H new ATOM 0 HB3 GLU A 15 40.048 7.162 -2.087 1.00 0.00 H new ATOM 0 HG2 GLU A 15 40.230 8.006 -4.212 1.00 0.00 H new ATOM 0 HG3 GLU A 15 38.676 8.813 -4.146 1.00 0.00 H new ATOM 252 N GLU A 16 37.634 5.824 -4.304 1.00 0.00 N ATOM 253 CA GLU A 16 37.528 4.643 -5.163 1.00 0.00 C ATOM 254 C GLU A 16 38.775 3.714 -5.117 1.00 0.00 C ATOM 255 O GLU A 16 38.682 2.535 -5.424 1.00 0.00 O ATOM 256 CB GLU A 16 37.207 5.106 -6.593 1.00 0.00 C ATOM 257 CG GLU A 16 37.607 4.150 -7.729 1.00 0.00 C ATOM 258 CD GLU A 16 37.309 4.765 -9.105 1.00 0.00 C ATOM 259 OE1 GLU A 16 37.769 5.879 -9.353 1.00 0.00 O ATOM 260 OE2 GLU A 16 36.635 4.130 -9.918 1.00 0.00 O ATOM 0 H GLU A 16 37.370 6.682 -4.788 1.00 0.00 H new ATOM 0 HA GLU A 16 36.718 4.021 -4.781 1.00 0.00 H new ATOM 0 HB2 GLU A 16 36.134 5.286 -6.661 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.702 6.062 -6.761 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.669 3.917 -7.654 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.066 3.210 -7.623 1.00 0.00 H new ATOM 267 N SER A 17 39.927 4.288 -4.724 1.00 0.00 N ATOM 268 CA SER A 17 41.149 3.509 -4.626 1.00 0.00 C ATOM 269 C SER A 17 41.202 2.729 -3.304 1.00 0.00 C ATOM 270 O SER A 17 41.415 1.528 -3.311 1.00 0.00 O ATOM 271 CB SER A 17 42.338 4.472 -4.715 1.00 0.00 C ATOM 272 OG SER A 17 42.854 4.582 -6.026 1.00 0.00 O ATOM 0 H SER A 17 40.025 5.272 -4.476 1.00 0.00 H new ATOM 0 HA SER A 17 41.183 2.783 -5.438 1.00 0.00 H new ATOM 0 HB2 SER A 17 42.029 5.458 -4.367 1.00 0.00 H new ATOM 0 HB3 SER A 17 43.128 4.131 -4.046 1.00 0.00 H new ATOM 0 HG SER A 17 43.608 5.208 -6.029 1.00 0.00 H new ATOM 278 N LEU A 18 40.998 3.466 -2.181 1.00 0.00 N ATOM 279 CA LEU A 18 40.990 2.777 -0.883 1.00 0.00 C ATOM 280 C LEU A 18 39.785 1.855 -0.763 1.00 0.00 C ATOM 281 O LEU A 18 39.790 0.939 0.063 1.00 0.00 O ATOM 282 CB LEU A 18 41.113 3.749 0.306 1.00 0.00 C ATOM 283 CG LEU A 18 39.839 4.425 0.865 1.00 0.00 C ATOM 284 CD1 LEU A 18 39.623 4.107 2.353 1.00 0.00 C ATOM 285 CD2 LEU A 18 39.903 5.942 0.701 1.00 0.00 C ATOM 0 H LEU A 18 40.846 4.474 -2.152 1.00 0.00 H new ATOM 0 HA LEU A 18 41.883 2.153 -0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 18 41.583 3.206 1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 18 41.802 4.541 0.012 1.00 0.00 H new ATOM 0 HG LEU A 18 39.005 4.023 0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 18 38.717 4.602 2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 18 39.521 3.030 2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 18 40.477 4.463 2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 18 38.994 6.390 1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 18 40.768 6.330 1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 18 39.993 6.190 -0.357 1.00 0.00 H new ATOM 297 N VAL A 19 38.796 2.131 -1.614 1.00 0.00 N ATOM 298 CA VAL A 19 37.523 1.442 -1.744 1.00 0.00 C ATOM 299 C VAL A 19 37.712 0.093 -2.445 1.00 0.00 C ATOM 300 O VAL A 19 37.385 -0.945 -1.906 1.00 0.00 O ATOM 301 CB VAL A 19 36.641 2.392 -2.555 1.00 0.00 C ATOM 302 CG1 VAL A 19 35.571 1.712 -3.399 1.00 0.00 C ATOM 303 CG2 VAL A 19 36.086 3.545 -1.702 1.00 0.00 C ATOM 0 H VAL A 19 38.876 2.901 -2.278 1.00 0.00 H new ATOM 0 HA VAL A 19 37.070 1.212 -0.780 1.00 0.00 H new ATOM 0 HB VAL A 19 37.315 2.832 -3.290 1.00 0.00 H new ATOM 0 HG11 VAL A 19 34.997 2.467 -3.937 1.00 0.00 H new ATOM 0 HG12 VAL A 19 36.045 1.039 -4.114 1.00 0.00 H new ATOM 0 HG13 VAL A 19 34.904 1.143 -2.751 1.00 0.00 H new ATOM 0 HG21 VAL A 19 35.466 4.192 -2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 19 35.485 3.139 -0.888 1.00 0.00 H new ATOM 0 HG23 VAL A 19 36.913 4.123 -1.289 1.00 0.00 H new ATOM 313 N ILE A 20 38.239 0.196 -3.685 1.00 0.00 N ATOM 314 CA ILE A 20 38.464 -0.972 -4.528 1.00 0.00 C ATOM 315 C ILE A 20 39.383 -1.979 -3.847 1.00 0.00 C ATOM 316 O ILE A 20 39.088 -3.160 -3.824 1.00 0.00 O ATOM 317 CB ILE A 20 39.025 -0.525 -5.896 1.00 0.00 C ATOM 318 CG1 ILE A 20 37.897 -0.053 -6.817 1.00 0.00 C ATOM 319 CG2 ILE A 20 39.885 -1.573 -6.629 1.00 0.00 C ATOM 320 CD1 ILE A 20 36.931 -1.186 -7.183 1.00 0.00 C ATOM 0 H ILE A 20 38.512 1.080 -4.113 1.00 0.00 H new ATOM 0 HA ILE A 20 37.512 -1.476 -4.692 1.00 0.00 H new ATOM 0 HB ILE A 20 39.699 0.297 -5.658 1.00 0.00 H new ATOM 0 HG12 ILE A 20 37.344 0.749 -6.328 1.00 0.00 H new ATOM 0 HG13 ILE A 20 38.326 0.364 -7.728 1.00 0.00 H new ATOM 0 HG21 ILE A 20 40.230 -1.162 -7.578 1.00 0.00 H new ATOM 0 HG22 ILE A 20 40.745 -1.834 -6.012 1.00 0.00 H new ATOM 0 HG23 ILE A 20 39.289 -2.466 -6.816 1.00 0.00 H new ATOM 0 HD11 ILE A 20 36.149 -0.800 -7.837 1.00 0.00 H new ATOM 0 HD12 ILE A 20 37.477 -1.978 -7.697 1.00 0.00 H new ATOM 0 HD13 ILE A 20 36.480 -1.587 -6.275 1.00 0.00 H new ATOM 332 N GLN A 21 40.490 -1.441 -3.304 1.00 0.00 N ATOM 333 CA GLN A 21 41.461 -2.285 -2.622 1.00 0.00 C ATOM 334 C GLN A 21 40.915 -2.808 -1.272 1.00 0.00 C ATOM 335 O GLN A 21 41.300 -3.874 -0.823 1.00 0.00 O ATOM 336 CB GLN A 21 42.751 -1.486 -2.405 1.00 0.00 C ATOM 337 CG GLN A 21 43.976 -2.383 -2.158 1.00 0.00 C ATOM 338 CD GLN A 21 45.216 -1.504 -1.918 1.00 0.00 C ATOM 339 OE1 GLN A 21 46.116 -1.414 -2.738 1.00 0.00 O ATOM 340 NE2 GLN A 21 45.121 -0.776 -0.786 1.00 0.00 N ATOM 0 H GLN A 21 40.723 -0.448 -3.327 1.00 0.00 H new ATOM 0 HA GLN A 21 41.664 -3.156 -3.245 1.00 0.00 H new ATOM 0 HB2 GLN A 21 42.936 -0.860 -3.278 1.00 0.00 H new ATOM 0 HB3 GLN A 21 42.619 -0.817 -1.555 1.00 0.00 H new ATOM 0 HG2 GLN A 21 43.801 -3.026 -1.296 1.00 0.00 H new ATOM 0 HG3 GLN A 21 44.140 -3.036 -3.015 1.00 0.00 H new ATOM 0 HE21 GLN A 21 44.332 -0.916 -0.154 1.00 0.00 H new ATOM 0 HE22 GLN A 21 45.838 -0.086 -0.562 1.00 0.00 H new ATOM 349 N ALA A 22 39.995 -2.006 -0.675 1.00 0.00 N ATOM 350 CA ALA A 22 39.314 -2.407 0.558 1.00 0.00 C ATOM 351 C ALA A 22 38.215 -3.434 0.312 1.00 0.00 C ATOM 352 O ALA A 22 37.778 -4.088 1.244 1.00 0.00 O ATOM 353 CB ALA A 22 38.572 -1.232 1.208 1.00 0.00 C ATOM 0 H ALA A 22 39.719 -1.091 -1.032 1.00 0.00 H new ATOM 0 HA ALA A 22 40.114 -2.802 1.184 1.00 0.00 H new ATOM 0 HB1 ALA A 22 38.080 -1.572 2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 22 39.283 -0.443 1.452 1.00 0.00 H new ATOM 0 HB3 ALA A 22 37.825 -0.846 0.515 1.00 0.00 H new ATOM 359 N TYR A 23 37.771 -3.500 -0.961 1.00 0.00 N ATOM 360 CA TYR A 23 36.676 -4.387 -1.336 1.00 0.00 C ATOM 361 C TYR A 23 37.261 -5.676 -1.915 1.00 0.00 C ATOM 362 O TYR A 23 36.655 -6.724 -1.802 1.00 0.00 O ATOM 363 CB TYR A 23 35.742 -3.684 -2.339 1.00 0.00 C ATOM 364 CG TYR A 23 34.271 -3.962 -2.101 1.00 0.00 C ATOM 365 CD1 TYR A 23 33.571 -3.230 -1.157 1.00 0.00 C ATOM 366 CD2 TYR A 23 33.597 -4.932 -2.817 1.00 0.00 C ATOM 367 CE1 TYR A 23 32.215 -3.443 -0.938 1.00 0.00 C ATOM 368 CE2 TYR A 23 32.245 -5.165 -2.616 1.00 0.00 C ATOM 369 CZ TYR A 23 31.547 -4.403 -1.681 1.00 0.00 C ATOM 370 OH TYR A 23 30.203 -4.571 -1.467 1.00 0.00 O ATOM 0 H TYR A 23 38.156 -2.952 -1.731 1.00 0.00 H new ATOM 0 HA TYR A 23 36.078 -4.639 -0.460 1.00 0.00 H new ATOM 0 HB2 TYR A 23 35.912 -2.609 -2.288 1.00 0.00 H new ATOM 0 HB3 TYR A 23 36.004 -4.001 -3.349 1.00 0.00 H new ATOM 0 HD1 TYR A 23 34.089 -2.479 -0.579 1.00 0.00 H new ATOM 0 HD2 TYR A 23 34.133 -5.520 -3.547 1.00 0.00 H new ATOM 0 HE1 TYR A 23 31.686 -2.865 -0.195 1.00 0.00 H new ATOM 0 HE2 TYR A 23 31.736 -5.932 -3.181 1.00 0.00 H new ATOM 0 HH TYR A 23 30.049 -5.424 -1.011 1.00 0.00 H new ATOM 380 N PHE A 24 38.459 -5.557 -2.526 1.00 0.00 N ATOM 381 CA PHE A 24 39.089 -6.695 -3.195 1.00 0.00 C ATOM 382 C PHE A 24 39.924 -7.503 -2.192 1.00 0.00 C ATOM 383 O PHE A 24 39.965 -8.722 -2.241 1.00 0.00 O ATOM 384 CB PHE A 24 40.012 -6.198 -4.329 1.00 0.00 C ATOM 385 CG PHE A 24 39.485 -6.504 -5.706 1.00 0.00 C ATOM 386 CD1 PHE A 24 39.329 -7.821 -6.123 1.00 0.00 C ATOM 387 CD2 PHE A 24 39.160 -5.477 -6.579 1.00 0.00 C ATOM 388 CE1 PHE A 24 38.862 -8.104 -7.401 1.00 0.00 C ATOM 389 CE2 PHE A 24 38.704 -5.749 -7.863 1.00 0.00 C ATOM 390 CZ PHE A 24 38.556 -7.067 -8.275 1.00 0.00 C ATOM 0 H PHE A 24 38.997 -4.691 -2.565 1.00 0.00 H new ATOM 0 HA PHE A 24 38.305 -7.328 -3.610 1.00 0.00 H new ATOM 0 HB2 PHE A 24 40.148 -5.121 -4.231 1.00 0.00 H new ATOM 0 HB3 PHE A 24 40.995 -6.655 -4.214 1.00 0.00 H new ATOM 0 HD1 PHE A 24 39.572 -8.629 -5.449 1.00 0.00 H new ATOM 0 HD2 PHE A 24 39.263 -4.451 -6.256 1.00 0.00 H new ATOM 0 HE1 PHE A 24 38.737 -9.130 -7.715 1.00 0.00 H new ATOM 0 HE2 PHE A 24 38.466 -4.940 -8.537 1.00 0.00 H new ATOM 0 HZ PHE A 24 38.204 -7.286 -9.272 1.00 0.00 H new ATOM 400 N ALA A 25 40.583 -6.741 -1.285 1.00 0.00 N ATOM 401 CA ALA A 25 41.363 -7.354 -0.215 1.00 0.00 C ATOM 402 C ALA A 25 40.437 -8.053 0.798 1.00 0.00 C ATOM 403 O ALA A 25 40.822 -9.007 1.456 1.00 0.00 O ATOM 404 CB ALA A 25 42.215 -6.288 0.482 1.00 0.00 C ATOM 0 H ALA A 25 40.583 -5.721 -1.283 1.00 0.00 H new ATOM 0 HA ALA A 25 42.023 -8.107 -0.646 1.00 0.00 H new ATOM 0 HB1 ALA A 25 42.795 -6.751 1.280 1.00 0.00 H new ATOM 0 HB2 ALA A 25 42.891 -5.833 -0.241 1.00 0.00 H new ATOM 0 HB3 ALA A 25 41.565 -5.521 0.904 1.00 0.00 H new ATOM 410 N CYS A 26 39.190 -7.528 0.845 1.00 0.00 N ATOM 411 CA CYS A 26 38.134 -8.123 1.655 1.00 0.00 C ATOM 412 C CYS A 26 37.379 -9.252 0.920 1.00 0.00 C ATOM 413 O CYS A 26 36.339 -9.693 1.387 1.00 0.00 O ATOM 414 CB CYS A 26 37.130 -7.027 2.034 1.00 0.00 C ATOM 415 SG CYS A 26 37.569 -6.280 3.627 1.00 0.00 S ATOM 0 H CYS A 26 38.904 -6.696 0.329 1.00 0.00 H new ATOM 0 HA CYS A 26 38.604 -8.562 2.535 1.00 0.00 H new ATOM 0 HB2 CYS A 26 37.112 -6.260 1.260 1.00 0.00 H new ATOM 0 HB3 CYS A 26 36.127 -7.449 2.089 1.00 0.00 H new ATOM 0 HG CYS A 26 38.186 -7.157 4.362 1.00 0.00 H new ATOM 421 N GLU A 27 37.907 -9.693 -0.248 1.00 0.00 N ATOM 422 CA GLU A 27 37.209 -10.733 -1.014 1.00 0.00 C ATOM 423 C GLU A 27 35.750 -10.322 -1.328 1.00 0.00 C ATOM 424 O GLU A 27 34.792 -10.984 -0.966 1.00 0.00 O ATOM 425 CB GLU A 27 37.340 -12.082 -0.275 1.00 0.00 C ATOM 426 CG GLU A 27 36.455 -13.237 -0.806 1.00 0.00 C ATOM 427 CD GLU A 27 35.348 -13.637 0.213 1.00 0.00 C ATOM 428 OE1 GLU A 27 35.683 -14.180 1.267 1.00 0.00 O ATOM 429 OE2 GLU A 27 34.166 -13.408 -0.049 1.00 0.00 O ATOM 0 H GLU A 27 38.777 -9.357 -0.660 1.00 0.00 H new ATOM 0 HA GLU A 27 37.677 -10.855 -1.991 1.00 0.00 H new ATOM 0 HB2 GLU A 27 38.382 -12.399 -0.321 1.00 0.00 H new ATOM 0 HB3 GLU A 27 37.101 -11.922 0.776 1.00 0.00 H new ATOM 0 HG2 GLU A 27 35.992 -12.937 -1.746 1.00 0.00 H new ATOM 0 HG3 GLU A 27 37.080 -14.104 -1.021 1.00 0.00 H new ATOM 436 N LYS A 28 35.678 -9.168 -2.015 1.00 0.00 N ATOM 437 CA LYS A 28 34.456 -8.562 -2.543 1.00 0.00 C ATOM 438 C LYS A 28 33.196 -8.845 -1.681 1.00 0.00 C ATOM 439 O LYS A 28 32.248 -9.467 -2.141 1.00 0.00 O ATOM 440 CB LYS A 28 34.302 -9.062 -3.990 1.00 0.00 C ATOM 441 CG LYS A 28 35.554 -8.855 -4.867 1.00 0.00 C ATOM 442 CD LYS A 28 35.770 -7.395 -5.285 1.00 0.00 C ATOM 443 CE LYS A 28 35.355 -7.114 -6.730 1.00 0.00 C ATOM 444 NZ LYS A 28 35.489 -5.701 -7.075 1.00 0.00 N ATOM 0 H LYS A 28 36.509 -8.614 -2.223 1.00 0.00 H new ATOM 0 HA LYS A 28 34.546 -7.476 -2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 28 34.057 -10.124 -3.971 1.00 0.00 H new ATOM 0 HB3 LYS A 28 33.459 -8.548 -4.452 1.00 0.00 H new ATOM 0 HG2 LYS A 28 36.432 -9.203 -4.322 1.00 0.00 H new ATOM 0 HG3 LYS A 28 35.468 -9.472 -5.761 1.00 0.00 H new ATOM 0 HD2 LYS A 28 35.203 -6.745 -4.618 1.00 0.00 H new ATOM 0 HD3 LYS A 28 36.822 -7.140 -5.160 1.00 0.00 H new ATOM 0 HE2 LYS A 28 35.968 -7.711 -7.405 1.00 0.00 H new ATOM 0 HE3 LYS A 28 34.321 -7.426 -6.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 34.876 -5.482 -7.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 35.209 -5.117 -6.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 36.478 -5.497 -7.324 1.00 0.00 H new ATOM 458 N ASN A 29 33.270 -8.385 -0.402 1.00 0.00 N ATOM 459 CA ASN A 29 32.237 -8.715 0.589 1.00 0.00 C ATOM 460 C ASN A 29 31.368 -7.467 0.830 1.00 0.00 C ATOM 461 O ASN A 29 31.184 -6.688 -0.095 1.00 0.00 O ATOM 462 CB ASN A 29 32.914 -9.278 1.861 1.00 0.00 C ATOM 463 CG ASN A 29 32.052 -10.348 2.558 1.00 0.00 C ATOM 464 OD1 ASN A 29 30.964 -10.698 2.127 1.00 0.00 O ATOM 465 ND2 ASN A 29 32.641 -10.868 3.655 1.00 0.00 N ATOM 0 H ASN A 29 34.024 -7.796 -0.049 1.00 0.00 H new ATOM 0 HA ASN A 29 31.565 -9.497 0.235 1.00 0.00 H new ATOM 0 HB2 ASN A 29 33.879 -9.709 1.596 1.00 0.00 H new ATOM 0 HB3 ASN A 29 33.110 -8.462 2.557 1.00 0.00 H new ATOM 0 HD21 ASN A 29 32.174 -11.605 4.184 1.00 0.00 H new ATOM 0 HD22 ASN A 29 33.553 -10.524 3.955 1.00 0.00 H new ATOM 472 N GLU A 30 30.847 -7.291 2.068 1.00 0.00 N ATOM 473 CA GLU A 30 30.017 -6.121 2.371 1.00 0.00 C ATOM 474 C GLU A 30 30.436 -5.492 3.697 1.00 0.00 C ATOM 475 O GLU A 30 31.087 -4.461 3.735 1.00 0.00 O ATOM 476 CB GLU A 30 28.522 -6.475 2.387 1.00 0.00 C ATOM 477 CG GLU A 30 27.922 -6.673 0.986 1.00 0.00 C ATOM 478 CD GLU A 30 26.529 -6.021 0.878 1.00 0.00 C ATOM 479 OE1 GLU A 30 26.471 -4.834 0.572 1.00 0.00 O ATOM 480 OE2 GLU A 30 25.521 -6.701 1.105 1.00 0.00 O ATOM 0 H GLU A 30 30.987 -7.932 2.849 1.00 0.00 H new ATOM 0 HA GLU A 30 30.174 -5.392 1.576 1.00 0.00 H new ATOM 0 HB2 GLU A 30 28.379 -7.387 2.967 1.00 0.00 H new ATOM 0 HB3 GLU A 30 27.975 -5.683 2.899 1.00 0.00 H new ATOM 0 HG2 GLU A 30 28.587 -6.241 0.238 1.00 0.00 H new ATOM 0 HG3 GLU A 30 27.846 -7.738 0.768 1.00 0.00 H new ATOM 487 N ASN A 31 30.009 -6.184 4.773 1.00 0.00 N ATOM 488 CA ASN A 31 30.329 -5.752 6.125 1.00 0.00 C ATOM 489 C ASN A 31 31.840 -5.745 6.358 1.00 0.00 C ATOM 490 O ASN A 31 32.306 -5.069 7.258 1.00 0.00 O ATOM 491 CB ASN A 31 29.657 -6.716 7.132 1.00 0.00 C ATOM 492 CG ASN A 31 28.614 -6.020 8.020 1.00 0.00 C ATOM 493 OD1 ASN A 31 28.141 -4.927 7.753 1.00 0.00 O ATOM 494 ND2 ASN A 31 28.296 -6.749 9.110 1.00 0.00 N ATOM 0 H ASN A 31 29.448 -7.034 4.721 1.00 0.00 H new ATOM 0 HA ASN A 31 29.958 -4.737 6.265 1.00 0.00 H new ATOM 0 HB2 ASN A 31 29.178 -7.528 6.585 1.00 0.00 H new ATOM 0 HB3 ASN A 31 30.423 -7.165 7.764 1.00 0.00 H new ATOM 0 HD21 ASN A 31 27.615 -6.393 9.781 1.00 0.00 H new ATOM 0 HD22 ASN A 31 28.736 -7.656 9.263 1.00 0.00 H new ATOM 501 N LEU A 32 32.558 -6.527 5.514 1.00 0.00 N ATOM 502 CA LEU A 32 34.002 -6.651 5.662 1.00 0.00 C ATOM 503 C LEU A 32 34.700 -5.400 5.083 1.00 0.00 C ATOM 504 O LEU A 32 35.581 -4.819 5.693 1.00 0.00 O ATOM 505 CB LEU A 32 34.484 -7.917 4.922 1.00 0.00 C ATOM 506 CG LEU A 32 35.638 -8.704 5.592 1.00 0.00 C ATOM 507 CD1 LEU A 32 36.484 -9.434 4.543 1.00 0.00 C ATOM 508 CD2 LEU A 32 36.522 -7.869 6.527 1.00 0.00 C ATOM 0 H LEU A 32 32.158 -7.064 4.745 1.00 0.00 H new ATOM 0 HA LEU A 32 34.253 -6.734 6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 32 33.634 -8.589 4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 32 34.803 -7.628 3.921 1.00 0.00 H new ATOM 0 HG LEU A 32 35.151 -9.436 6.237 1.00 0.00 H new ATOM 0 HD11 LEU A 32 37.287 -9.979 5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 32 35.856 -10.135 3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 32 36.911 -8.708 3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 32 37.302 -8.501 6.951 1.00 0.00 H new ATOM 0 HD22 LEU A 32 36.980 -7.055 5.964 1.00 0.00 H new ATOM 0 HD23 LEU A 32 35.913 -7.456 7.331 1.00 0.00 H new ATOM 520 N ALA A 33 34.230 -5.036 3.863 1.00 0.00 N ATOM 521 CA ALA A 33 34.767 -3.875 3.164 1.00 0.00 C ATOM 522 C ALA A 33 34.555 -2.589 3.960 1.00 0.00 C ATOM 523 O ALA A 33 35.468 -1.802 4.134 1.00 0.00 O ATOM 524 CB ALA A 33 34.094 -3.714 1.812 1.00 0.00 C ATOM 0 H ALA A 33 33.492 -5.530 3.362 1.00 0.00 H new ATOM 0 HA ALA A 33 35.836 -4.046 3.040 1.00 0.00 H new ATOM 0 HB1 ALA A 33 34.506 -2.843 1.302 1.00 0.00 H new ATOM 0 HB2 ALA A 33 34.271 -4.605 1.209 1.00 0.00 H new ATOM 0 HB3 ALA A 33 33.022 -3.579 1.953 1.00 0.00 H new ATOM 530 N ALA A 34 33.307 -2.444 4.452 1.00 0.00 N ATOM 531 CA ALA A 34 33.006 -1.326 5.337 1.00 0.00 C ATOM 532 C ALA A 34 33.939 -1.346 6.559 1.00 0.00 C ATOM 533 O ALA A 34 34.561 -0.353 6.888 1.00 0.00 O ATOM 534 CB ALA A 34 31.538 -1.375 5.765 1.00 0.00 C ATOM 0 H ALA A 34 32.525 -3.068 4.255 1.00 0.00 H new ATOM 0 HA ALA A 34 33.174 -0.392 4.800 1.00 0.00 H new ATOM 0 HB1 ALA A 34 31.324 -0.535 6.426 1.00 0.00 H new ATOM 0 HB2 ALA A 34 30.900 -1.315 4.883 1.00 0.00 H new ATOM 0 HB3 ALA A 34 31.343 -2.310 6.291 1.00 0.00 H new ATOM 540 N ASN A 35 34.061 -2.531 7.185 1.00 0.00 N ATOM 541 CA ASN A 35 34.952 -2.626 8.344 1.00 0.00 C ATOM 542 C ASN A 35 36.401 -2.202 8.021 1.00 0.00 C ATOM 543 O ASN A 35 37.069 -1.635 8.868 1.00 0.00 O ATOM 544 CB ASN A 35 34.955 -4.067 8.890 1.00 0.00 C ATOM 545 CG ASN A 35 34.887 -4.111 10.423 1.00 0.00 C ATOM 546 OD1 ASN A 35 35.753 -4.652 11.093 1.00 0.00 O ATOM 547 ND2 ASN A 35 33.767 -3.534 10.916 1.00 0.00 N ATOM 0 H ASN A 35 33.580 -3.391 6.923 1.00 0.00 H new ATOM 0 HA ASN A 35 34.566 -1.935 9.094 1.00 0.00 H new ATOM 0 HB2 ASN A 35 34.107 -4.612 8.475 1.00 0.00 H new ATOM 0 HB3 ASN A 35 35.857 -4.578 8.554 1.00 0.00 H new ATOM 0 HD21 ASN A 35 33.596 -3.530 11.922 1.00 0.00 H new ATOM 0 HD22 ASN A 35 33.094 -3.103 10.282 1.00 0.00 H new ATOM 554 N PHE A 36 36.832 -2.486 6.770 1.00 0.00 N ATOM 555 CA PHE A 36 38.186 -2.145 6.317 1.00 0.00 C ATOM 556 C PHE A 36 38.383 -0.607 6.274 1.00 0.00 C ATOM 557 O PHE A 36 39.356 -0.068 6.783 1.00 0.00 O ATOM 558 CB PHE A 36 38.408 -2.774 4.925 1.00 0.00 C ATOM 559 CG PHE A 36 39.771 -2.535 4.313 1.00 0.00 C ATOM 560 CD1 PHE A 36 40.128 -1.275 3.838 1.00 0.00 C ATOM 561 CD2 PHE A 36 40.678 -3.580 4.155 1.00 0.00 C ATOM 562 CE1 PHE A 36 41.336 -1.066 3.196 1.00 0.00 C ATOM 563 CE2 PHE A 36 41.898 -3.371 3.519 1.00 0.00 C ATOM 564 CZ PHE A 36 42.228 -2.113 3.034 1.00 0.00 C ATOM 0 H PHE A 36 36.259 -2.949 6.065 1.00 0.00 H new ATOM 0 HA PHE A 36 38.921 -2.542 7.017 1.00 0.00 H new ATOM 0 HB2 PHE A 36 38.247 -3.849 5.001 1.00 0.00 H new ATOM 0 HB3 PHE A 36 37.650 -2.385 4.245 1.00 0.00 H new ATOM 0 HD1 PHE A 36 39.449 -0.446 3.973 1.00 0.00 H new ATOM 0 HD2 PHE A 36 40.432 -4.563 4.530 1.00 0.00 H new ATOM 0 HE1 PHE A 36 41.584 -0.084 2.820 1.00 0.00 H new ATOM 0 HE2 PHE A 36 42.591 -4.191 3.402 1.00 0.00 H new ATOM 0 HZ PHE A 36 43.172 -1.952 2.535 1.00 0.00 H new ATOM 574 N LEU A 37 37.409 0.046 5.597 1.00 0.00 N ATOM 575 CA LEU A 37 37.528 1.468 5.310 1.00 0.00 C ATOM 576 C LEU A 37 37.311 2.328 6.578 1.00 0.00 C ATOM 577 O LEU A 37 37.861 3.417 6.705 1.00 0.00 O ATOM 578 CB LEU A 37 36.525 1.867 4.223 1.00 0.00 C ATOM 579 CG LEU A 37 36.723 1.226 2.829 1.00 0.00 C ATOM 580 CD1 LEU A 37 35.493 0.423 2.410 1.00 0.00 C ATOM 581 CD2 LEU A 37 37.044 2.257 1.728 1.00 0.00 C ATOM 0 H LEU A 37 36.554 -0.391 5.252 1.00 0.00 H new ATOM 0 HA LEU A 37 38.542 1.654 4.955 1.00 0.00 H new ATOM 0 HB2 LEU A 37 35.524 1.616 4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 37 36.560 2.950 4.108 1.00 0.00 H new ATOM 0 HG LEU A 37 37.583 0.565 2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.662 -0.015 1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 37 35.313 -0.371 3.135 1.00 0.00 H new ATOM 0 HD13 LEU A 37 34.625 1.081 2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 37 37.171 1.744 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 37 36.225 2.972 1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 37 37.963 2.785 1.981 1.00 0.00 H new ATOM 593 N LEU A 38 36.484 1.767 7.496 1.00 0.00 N ATOM 594 CA LEU A 38 36.096 2.475 8.715 1.00 0.00 C ATOM 595 C LEU A 38 37.158 2.266 9.825 1.00 0.00 C ATOM 596 O LEU A 38 37.333 3.089 10.713 1.00 0.00 O ATOM 597 CB LEU A 38 34.692 2.055 9.228 1.00 0.00 C ATOM 598 CG LEU A 38 33.502 2.013 8.226 1.00 0.00 C ATOM 599 CD1 LEU A 38 32.276 2.783 8.722 1.00 0.00 C ATOM 600 CD2 LEU A 38 33.846 2.497 6.821 1.00 0.00 C ATOM 0 H LEU A 38 36.083 0.834 7.405 1.00 0.00 H new ATOM 0 HA LEU A 38 36.041 3.534 8.462 1.00 0.00 H new ATOM 0 HB2 LEU A 38 34.786 1.062 9.668 1.00 0.00 H new ATOM 0 HB3 LEU A 38 34.419 2.736 10.034 1.00 0.00 H new ATOM 0 HG LEU A 38 33.265 0.951 8.167 1.00 0.00 H new ATOM 0 HD11 LEU A 38 31.480 2.717 7.980 1.00 0.00 H new ATOM 0 HD12 LEU A 38 31.932 2.353 9.663 1.00 0.00 H new ATOM 0 HD13 LEU A 38 32.541 3.829 8.877 1.00 0.00 H new ATOM 0 HD21 LEU A 38 32.961 2.435 6.188 1.00 0.00 H new ATOM 0 HD22 LEU A 38 34.188 3.531 6.866 1.00 0.00 H new ATOM 0 HD23 LEU A 38 34.635 1.872 6.404 1.00 0.00 H new ATOM 612 N SER A 39 37.856 1.113 9.686 1.00 0.00 N ATOM 613 CA SER A 39 38.956 0.725 10.568 1.00 0.00 C ATOM 614 C SER A 39 40.159 1.652 10.380 1.00 0.00 C ATOM 615 O SER A 39 40.867 1.964 11.327 1.00 0.00 O ATOM 616 CB SER A 39 39.362 -0.731 10.271 1.00 0.00 C ATOM 617 OG SER A 39 40.620 -1.127 10.796 1.00 0.00 O ATOM 0 H SER A 39 37.662 0.431 8.953 1.00 0.00 H new ATOM 0 HA SER A 39 38.621 0.808 11.602 1.00 0.00 H new ATOM 0 HB2 SER A 39 38.595 -1.394 10.671 1.00 0.00 H new ATOM 0 HB3 SER A 39 39.376 -0.874 9.191 1.00 0.00 H new ATOM 0 HG SER A 39 40.793 -2.062 10.561 1.00 0.00 H new ATOM 623 N GLN A 40 40.334 2.070 9.108 1.00 0.00 N ATOM 624 CA GLN A 40 41.406 3.004 8.800 1.00 0.00 C ATOM 625 C GLN A 40 40.884 4.441 8.907 1.00 0.00 C ATOM 626 O GLN A 40 40.251 4.975 8.005 1.00 0.00 O ATOM 627 CB GLN A 40 41.948 2.729 7.400 1.00 0.00 C ATOM 628 CG GLN A 40 42.768 1.435 7.318 1.00 0.00 C ATOM 629 CD GLN A 40 43.442 1.402 5.944 1.00 0.00 C ATOM 630 OE1 GLN A 40 44.388 2.128 5.670 1.00 0.00 O ATOM 631 NE2 GLN A 40 42.825 0.582 5.080 1.00 0.00 N ATOM 0 H GLN A 40 39.764 1.781 8.313 1.00 0.00 H new ATOM 0 HA GLN A 40 42.218 2.874 9.515 1.00 0.00 H new ATOM 0 HB2 GLN A 40 41.115 2.670 6.699 1.00 0.00 H new ATOM 0 HB3 GLN A 40 42.570 3.567 7.086 1.00 0.00 H new ATOM 0 HG2 GLN A 40 43.514 1.403 8.112 1.00 0.00 H new ATOM 0 HG3 GLN A 40 42.125 0.565 7.450 1.00 0.00 H new ATOM 0 HE21 GLN A 40 42.041 0.009 5.392 1.00 0.00 H new ATOM 0 HE22 GLN A 40 43.140 0.532 4.111 1.00 0.00 H new ATOM 640 N ASN A 41 41.245 5.012 10.080 1.00 0.00 N ATOM 641 CA ASN A 41 40.924 6.391 10.428 1.00 0.00 C ATOM 642 C ASN A 41 41.381 7.347 9.304 1.00 0.00 C ATOM 643 O ASN A 41 42.494 7.240 8.806 1.00 0.00 O ATOM 644 CB ASN A 41 41.652 6.812 11.719 1.00 0.00 C ATOM 645 CG ASN A 41 41.689 5.788 12.871 1.00 0.00 C ATOM 646 OD1 ASN A 41 42.688 5.655 13.560 1.00 0.00 O ATOM 647 ND2 ASN A 41 40.515 5.171 13.111 1.00 0.00 N ATOM 0 H ASN A 41 41.767 4.518 10.804 1.00 0.00 H new ATOM 0 HA ASN A 41 39.845 6.450 10.568 1.00 0.00 H new ATOM 0 HB2 ASN A 41 42.680 7.067 11.460 1.00 0.00 H new ATOM 0 HB3 ASN A 41 41.182 7.722 12.091 1.00 0.00 H new ATOM 0 HD21 ASN A 41 40.422 4.546 13.912 1.00 0.00 H new ATOM 0 HD22 ASN A 41 39.720 5.329 12.492 1.00 0.00 H new ATOM 654 N PHE A 42 40.446 8.259 8.943 1.00 0.00 N ATOM 655 CA PHE A 42 40.678 9.215 7.860 1.00 0.00 C ATOM 656 C PHE A 42 39.463 10.174 7.746 1.00 0.00 C ATOM 657 O PHE A 42 38.902 10.378 6.678 1.00 0.00 O ATOM 658 CB PHE A 42 40.920 8.458 6.526 1.00 0.00 C ATOM 659 CG PHE A 42 41.180 9.321 5.312 1.00 0.00 C ATOM 660 CD1 PHE A 42 41.605 10.646 5.419 1.00 0.00 C ATOM 661 CD2 PHE A 42 40.978 8.784 4.043 1.00 0.00 C ATOM 662 CE1 PHE A 42 41.793 11.421 4.287 1.00 0.00 C ATOM 663 CE2 PHE A 42 41.165 9.560 2.907 1.00 0.00 C ATOM 664 CZ PHE A 42 41.568 10.881 3.030 1.00 0.00 C ATOM 0 H PHE A 42 39.533 8.344 9.390 1.00 0.00 H new ATOM 0 HA PHE A 42 41.567 9.807 8.078 1.00 0.00 H new ATOM 0 HB2 PHE A 42 41.770 7.789 6.660 1.00 0.00 H new ATOM 0 HB3 PHE A 42 40.051 7.833 6.323 1.00 0.00 H new ATOM 0 HD1 PHE A 42 41.789 11.071 6.395 1.00 0.00 H new ATOM 0 HD2 PHE A 42 40.673 7.753 3.942 1.00 0.00 H new ATOM 0 HE1 PHE A 42 42.115 12.447 4.383 1.00 0.00 H new ATOM 0 HE2 PHE A 42 40.997 9.135 1.928 1.00 0.00 H new ATOM 0 HZ PHE A 42 41.706 11.488 2.148 1.00 0.00 H new ATOM 674 N ASP A 43 39.099 10.755 8.908 1.00 0.00 N ATOM 675 CA ASP A 43 38.020 11.740 8.928 1.00 0.00 C ATOM 676 C ASP A 43 37.984 12.392 10.323 1.00 0.00 C ATOM 677 O ASP A 43 38.387 13.532 10.500 1.00 0.00 O ATOM 678 CB ASP A 43 36.663 11.090 8.548 1.00 0.00 C ATOM 679 CG ASP A 43 35.536 12.129 8.365 1.00 0.00 C ATOM 680 OD1 ASP A 43 35.171 12.789 9.337 1.00 0.00 O ATOM 681 OD2 ASP A 43 35.027 12.265 7.251 1.00 0.00 O ATOM 0 H ASP A 43 39.526 10.562 9.814 1.00 0.00 H new ATOM 0 HA ASP A 43 38.204 12.513 8.181 1.00 0.00 H new ATOM 0 HB2 ASP A 43 36.782 10.523 7.625 1.00 0.00 H new ATOM 0 HB3 ASP A 43 36.375 10.380 9.323 1.00 0.00 H new ATOM 686 N ASP A 44 37.455 11.594 11.284 1.00 0.00 N ATOM 687 CA ASP A 44 37.238 12.066 12.645 1.00 0.00 C ATOM 688 C ASP A 44 37.554 10.906 13.601 1.00 0.00 C ATOM 689 O ASP A 44 38.572 10.906 14.276 1.00 0.00 O ATOM 690 CB ASP A 44 35.793 12.602 12.780 1.00 0.00 C ATOM 691 CG ASP A 44 35.433 13.178 14.171 1.00 0.00 C ATOM 692 OD1 ASP A 44 36.308 13.305 15.029 1.00 0.00 O ATOM 693 OD2 ASP A 44 34.262 13.502 14.381 1.00 0.00 O ATOM 0 H ASP A 44 37.176 10.625 11.127 1.00 0.00 H new ATOM 0 HA ASP A 44 37.895 12.897 12.900 1.00 0.00 H new ATOM 0 HB2 ASP A 44 35.639 13.379 12.031 1.00 0.00 H new ATOM 0 HB3 ASP A 44 35.099 11.794 12.548 1.00 0.00 H new ATOM 698 N GLU A 45 36.618 9.925 13.613 1.00 0.00 N ATOM 699 CA GLU A 45 36.730 8.790 14.524 1.00 0.00 C ATOM 700 C GLU A 45 37.575 7.645 13.910 1.00 0.00 C ATOM 701 O GLU A 45 37.603 6.559 14.490 1.00 0.00 O ATOM 702 CB GLU A 45 35.312 8.351 14.939 1.00 0.00 C ATOM 703 CG GLU A 45 34.589 7.446 13.923 1.00 0.00 C ATOM 704 CD GLU A 45 33.067 7.440 14.153 1.00 0.00 C ATOM 705 OE1 GLU A 45 32.640 7.320 15.303 1.00 0.00 O ATOM 706 OE2 GLU A 45 32.324 7.560 13.179 1.00 0.00 O ATOM 707 OXT GLU A 45 38.196 7.845 12.864 1.00 0.00 O ATOM 0 H GLU A 45 35.796 9.908 13.009 1.00 0.00 H new ATOM 0 HA GLU A 45 37.271 9.085 15.423 1.00 0.00 H new ATOM 0 HB2 GLU A 45 35.375 7.825 15.892 1.00 0.00 H new ATOM 0 HB3 GLU A 45 34.706 9.242 15.106 1.00 0.00 H new ATOM 0 HG2 GLU A 45 34.803 7.790 12.911 1.00 0.00 H new ATOM 0 HG3 GLU A 45 34.974 6.429 14.002 1.00 0.00 H new TER 714 GLU A 45