USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 712 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 HIS : no HD1:sc= 0 X(o=0.35,f=-0.14) USER MOD Set 1.2: A 49 SER OG : rot -2:sc= 0.347! USER MOD Set 2.1: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 34 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-2.3) USER MOD Set 2.3: A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 20:sc= 0.427 USER MOD Single : A 7 GLN :FLIP amide:sc= -0.717 F(o=-1.2,f=-0.72) USER MOD Single : A 14 THR OG1 : rot 86:sc= 1.21 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -58:sc= 0.269 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0.0739 K(o=0.074,f=-4.2!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 30:sc= -1.33 USER MOD Single : A 33 GLN : amide:sc= -3.5 X(o=-3.5,f=-3.6!) USER MOD Single : A 41 HIS : no HD1:sc= -0.532 K(o=-0.53,f=-1.3) USER MOD Single : A 44 LYS NZ :NH3+ -151:sc= -0.284 (180deg=-1.01) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 140:sc= -1.32 USER MOD Single : A 62 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.11) USER MOD Single : A 63 TYR OH : rot 165:sc= -0.681 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : B 117 GLN : amide:sc= -0.0529 X(o=-0.053,f=0) USER MOD Single : B 119 SER OG : rot 180:sc= 0 USER MOD Single : B 127 ASN : amide:sc= -0.547 K(o=-0.55,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 5 -10.480 -8.072 7.961 1.00 72.40 N ATOM 2 CA THR A 5 -9.359 -7.249 7.543 1.00 31.10 C ATOM 3 C THR A 5 -8.643 -7.873 6.350 1.00 71.40 C ATOM 4 O THR A 5 -8.358 -7.198 5.361 1.00 63.30 O ATOM 5 CB THR A 5 -8.379 -7.065 8.702 1.00 12.20 C ATOM 6 OG1 THR A 5 -9.073 -6.914 9.927 1.00 60.40 O ATOM 7 CG2 THR A 5 -7.474 -5.862 8.536 1.00 44.10 C ATOM 0 HA THR A 5 -9.745 -6.275 7.243 1.00 31.10 H new ATOM 0 HB THR A 5 -7.764 -7.965 8.705 1.00 12.20 H new ATOM 0 HG1 THR A 5 -9.981 -7.272 9.835 1.00 60.40 H new ATOM 0 HG21 THR A 5 -6.804 -5.790 9.393 1.00 44.10 H new ATOM 0 HG22 THR A 5 -6.887 -5.971 7.624 1.00 44.10 H new ATOM 0 HG23 THR A 5 -8.079 -4.958 8.471 1.00 44.10 H new ATOM 15 N LEU A 6 -8.355 -9.167 6.450 1.00 53.20 N ATOM 16 CA LEU A 6 -7.672 -9.883 5.379 1.00 33.20 C ATOM 17 C LEU A 6 -8.489 -9.843 4.091 1.00 12.20 C ATOM 18 O LEU A 6 -7.955 -9.576 3.014 1.00 63.30 O ATOM 19 CB LEU A 6 -7.416 -11.330 5.789 1.00 32.20 C ATOM 20 CG LEU A 6 -6.111 -11.930 5.264 1.00 61.10 C ATOM 21 CD1 LEU A 6 -6.042 -11.810 3.750 1.00 53.20 C ATOM 22 CD2 LEU A 6 -4.914 -11.250 5.908 1.00 61.10 C ATOM 0 H LEU A 6 -8.584 -9.741 7.262 1.00 53.20 H new ATOM 0 HA LEU A 6 -6.717 -9.390 5.197 1.00 33.20 H new ATOM 0 HB2 LEU A 6 -7.413 -11.388 6.877 1.00 32.20 H new ATOM 0 HB3 LEU A 6 -8.247 -11.943 5.439 1.00 32.20 H new ATOM 0 HG LEU A 6 -6.088 -12.987 5.527 1.00 61.10 H new ATOM 0 HD11 LEU A 6 -5.107 -12.242 3.393 1.00 53.20 H new ATOM 0 HD12 LEU A 6 -6.882 -12.343 3.304 1.00 53.20 H new ATOM 0 HD13 LEU A 6 -6.088 -10.759 3.466 1.00 53.20 H new ATOM 0 HD21 LEU A 6 -3.994 -11.690 5.522 1.00 61.10 H new ATOM 0 HD22 LEU A 6 -4.932 -10.185 5.676 1.00 61.10 H new ATOM 0 HD23 LEU A 6 -4.956 -11.386 6.989 1.00 61.10 H new ATOM 34 N GLN A 7 -9.785 -10.110 4.210 1.00 71.30 N ATOM 35 CA GLN A 7 -10.670 -10.100 3.056 1.00 15.00 C ATOM 36 C GLN A 7 -10.680 -8.734 2.384 1.00 61.20 C ATOM 37 O GLN A 7 -10.840 -8.629 1.168 1.00 24.00 O ATOM 38 CB GLN A 7 -12.090 -10.480 3.478 1.00 22.30 C ATOM 39 CG GLN A 7 -12.930 -11.050 2.343 1.00 14.30 C ATOM 40 CD GLN A 7 -12.270 -12.220 1.648 1.00 34.40 C ATOM 41 OE1 GLN A 7 -11.470 -11.920 0.625 1.00 40.20 O flip ATOM 42 NE2 GLN A 7 -12.460 -13.370 2.026 1.00 40.10 N flip ATOM 0 H GLN A 7 -10.243 -10.335 5.093 1.00 71.30 H new ATOM 0 HA GLN A 7 -10.298 -10.832 2.340 1.00 15.00 H new ATOM 0 HB2 GLN A 7 -12.037 -11.213 4.283 1.00 22.30 H new ATOM 0 HB3 GLN A 7 -12.589 -9.599 3.881 1.00 22.30 H new ATOM 0 HG2 GLN A 7 -13.896 -11.366 2.737 1.00 14.30 H new ATOM 0 HG3 GLN A 7 -13.125 -10.264 1.613 1.00 14.30 H new ATOM 0 HE21 GLN A 7 -13.081 -13.552 2.814 1.00 40.10 H new ATOM 0 HE22 GLN A 7 -11.997 -14.146 1.552 1.00 40.10 H new ATOM 51 N LYS A 8 -10.520 -7.688 3.186 1.00 73.30 N ATOM 52 CA LYS A 8 -10.500 -6.324 2.670 1.00 4.14 C ATOM 53 C LYS A 8 -9.137 -5.965 2.110 1.00 12.30 C ATOM 54 O LYS A 8 -9.025 -5.179 1.169 1.00 70.20 O ATOM 55 CB LYS A 8 -10.890 -5.336 3.771 1.00 5.21 C ATOM 56 CG LYS A 8 -12.400 -5.173 3.940 1.00 23.50 C ATOM 57 CD LYS A 8 -12.740 -3.875 4.652 1.00 11.10 C ATOM 58 CE LYS A 8 -13.960 -4.034 5.539 1.00 35.10 C ATOM 59 NZ LYS A 8 -13.850 -3.243 6.796 1.00 60.30 N ATOM 0 H LYS A 8 -10.402 -7.758 4.197 1.00 73.30 H new ATOM 0 HA LYS A 8 -11.226 -6.263 1.859 1.00 4.14 H new ATOM 0 HB2 LYS A 8 -10.461 -5.670 4.716 1.00 5.21 H new ATOM 0 HB3 LYS A 8 -10.451 -4.364 3.547 1.00 5.21 H new ATOM 0 HG2 LYS A 8 -12.881 -5.190 2.962 1.00 23.50 H new ATOM 0 HG3 LYS A 8 -12.798 -6.015 4.506 1.00 23.50 H new ATOM 0 HD2 LYS A 8 -11.890 -3.555 5.254 1.00 11.10 H new ATOM 0 HD3 LYS A 8 -12.923 -3.092 3.916 1.00 11.10 H new ATOM 0 HE2 LYS A 8 -14.849 -3.720 4.991 1.00 35.10 H new ATOM 0 HE3 LYS A 8 -14.093 -5.087 5.785 1.00 35.10 H new ATOM 0 HZ1 LYS A 8 -14.706 -3.383 7.370 1.00 60.30 H new ATOM 0 HZ2 LYS A 8 -13.017 -3.559 7.333 1.00 60.30 H new ATOM 0 HZ3 LYS A 8 -13.750 -2.234 6.564 1.00 60.30 H new ATOM 73 N ALA A 9 -8.094 -6.546 2.695 1.00 61.40 N ATOM 74 CA ALA A 9 -6.729 -6.287 2.255 1.00 55.40 C ATOM 75 C ALA A 9 -6.511 -6.776 0.827 1.00 54.40 C ATOM 76 O ALA A 9 -5.901 -6.087 0.010 1.00 42.40 O ATOM 77 CB ALA A 9 -5.736 -6.949 3.198 1.00 41.30 C ATOM 0 H ALA A 9 -8.169 -7.199 3.475 1.00 61.40 H new ATOM 0 HA ALA A 9 -6.566 -5.209 2.272 1.00 55.40 H new ATOM 0 HB1 ALA A 9 -4.721 -6.747 2.857 1.00 41.30 H new ATOM 0 HB2 ALA A 9 -5.867 -6.550 4.204 1.00 41.30 H new ATOM 0 HB3 ALA A 9 -5.908 -8.025 3.210 1.00 41.30 H new ATOM 83 N ILE A 10 -7.016 -7.970 0.533 1.00 14.40 N ATOM 84 CA ILE A 10 -6.877 -8.551 -0.797 1.00 10.30 C ATOM 85 C ILE A 10 -7.821 -7.880 -1.790 1.00 12.10 C ATOM 86 O ILE A 10 -7.467 -7.665 -2.949 1.00 51.10 O ATOM 87 CB ILE A 10 -7.158 -10.060 -0.782 1.00 64.40 C ATOM 88 CG1 ILE A 10 -6.356 -10.740 0.330 1.00 64.10 C ATOM 89 CG2 ILE A 10 -6.826 -10.680 -2.133 1.00 32.50 C ATOM 90 CD1 ILE A 10 -6.877 -12.110 0.700 1.00 33.30 C ATOM 0 H ILE A 10 -7.525 -8.553 1.197 1.00 14.40 H new ATOM 0 HA ILE A 10 -5.846 -8.385 -1.109 1.00 10.30 H new ATOM 0 HB ILE A 10 -8.220 -10.211 -0.587 1.00 64.40 H new ATOM 0 HG12 ILE A 10 -5.316 -10.829 0.015 1.00 64.10 H new ATOM 0 HG13 ILE A 10 -6.367 -10.105 1.216 1.00 64.10 H new ATOM 0 HG21 ILE A 10 -7.032 -11.750 -2.103 1.00 32.50 H new ATOM 0 HG22 ILE A 10 -7.437 -10.215 -2.907 1.00 32.50 H new ATOM 0 HG23 ILE A 10 -5.772 -10.519 -2.358 1.00 32.50 H new ATOM 0 HD11 ILE A 10 -6.260 -12.532 1.494 1.00 33.30 H new ATOM 0 HD12 ILE A 10 -7.907 -12.026 1.046 1.00 33.30 H new ATOM 0 HD13 ILE A 10 -6.840 -12.761 -0.173 1.00 33.30 H new ATOM 102 N ASP A 11 -9.022 -7.552 -1.327 1.00 72.10 N ATOM 103 CA ASP A 11 -10.010 -6.905 -2.174 1.00 21.10 C ATOM 104 C ASP A 11 -9.500 -5.568 -2.695 1.00 0.24 C ATOM 105 O ASP A 11 -9.690 -5.230 -3.863 1.00 22.10 O ATOM 106 CB ASP A 11 -11.310 -6.695 -1.399 1.00 34.30 C ATOM 107 CG ASP A 11 -12.230 -7.904 -1.465 1.00 31.20 C ATOM 108 OD1 ASP A 11 -11.710 -9.033 -1.588 1.00 41.30 O ATOM 109 OD2 ASP A 11 -13.460 -7.721 -1.392 1.00 74.30 O ATOM 0 H ASP A 11 -9.332 -7.724 -0.371 1.00 72.10 H new ATOM 0 HA ASP A 11 -10.197 -7.556 -3.028 1.00 21.10 H new ATOM 0 HB2 ASP A 11 -11.077 -6.477 -0.357 1.00 34.30 H new ATOM 0 HB3 ASP A 11 -11.830 -5.824 -1.798 1.00 34.30 H new ATOM 114 N LEU A 12 -8.846 -4.811 -1.820 1.00 63.10 N ATOM 115 CA LEU A 12 -8.301 -3.511 -2.191 1.00 35.50 C ATOM 116 C LEU A 12 -7.166 -3.665 -3.198 1.00 71.20 C ATOM 117 O LEU A 12 -7.082 -2.919 -4.173 1.00 12.20 O ATOM 118 CB LEU A 12 -7.799 -2.771 -0.949 1.00 63.20 C ATOM 119 CG LEU A 12 -8.892 -2.326 0.025 1.00 34.10 C ATOM 120 CD1 LEU A 12 -8.318 -2.136 1.420 1.00 51.40 C ATOM 121 CD2 LEU A 12 -9.548 -1.043 -0.463 1.00 35.40 C ATOM 0 H LEU A 12 -8.681 -5.076 -0.849 1.00 63.10 H new ATOM 0 HA LEU A 12 -9.098 -2.930 -2.654 1.00 35.50 H new ATOM 0 HB2 LEU A 12 -7.101 -3.417 -0.417 1.00 63.20 H new ATOM 0 HB3 LEU A 12 -7.239 -1.892 -1.270 1.00 63.20 H new ATOM 0 HG LEU A 12 -9.652 -3.106 0.071 1.00 34.10 H new ATOM 0 HD11 LEU A 12 -9.110 -1.820 2.099 1.00 51.40 H new ATOM 0 HD12 LEU A 12 -7.894 -3.077 1.770 1.00 51.40 H new ATOM 0 HD13 LEU A 12 -7.538 -1.375 1.392 1.00 51.40 H new ATOM 0 HD21 LEU A 12 -10.323 -0.740 0.241 1.00 35.40 H new ATOM 0 HD22 LEU A 12 -8.797 -0.256 -0.537 1.00 35.40 H new ATOM 0 HD23 LEU A 12 -9.994 -1.212 -1.443 1.00 35.40 H new ATOM 133 N VAL A 13 -6.294 -4.639 -2.955 1.00 4.23 N ATOM 134 CA VAL A 13 -5.165 -4.891 -3.841 1.00 40.30 C ATOM 135 C VAL A 13 -5.639 -5.273 -5.239 1.00 72.20 C ATOM 136 O VAL A 13 -5.107 -4.791 -6.239 1.00 65.00 O ATOM 137 CB VAL A 13 -4.260 -6.013 -3.294 1.00 53.30 C ATOM 138 CG1 VAL A 13 -3.012 -6.162 -4.151 1.00 14.50 C ATOM 139 CG2 VAL A 13 -3.888 -5.741 -1.843 1.00 54.10 C ATOM 0 H VAL A 13 -6.348 -5.266 -2.152 1.00 4.23 H new ATOM 0 HA VAL A 13 -4.592 -3.965 -3.894 1.00 40.30 H new ATOM 0 HB VAL A 13 -4.814 -6.951 -3.335 1.00 53.30 H new ATOM 0 HG11 VAL A 13 -2.387 -6.959 -3.748 1.00 14.50 H new ATOM 0 HG12 VAL A 13 -3.300 -6.408 -5.173 1.00 14.50 H new ATOM 0 HG13 VAL A 13 -2.454 -5.226 -4.147 1.00 14.50 H new ATOM 0 HG21 VAL A 13 -3.249 -6.544 -1.475 1.00 54.10 H new ATOM 0 HG22 VAL A 13 -3.355 -4.793 -1.776 1.00 54.10 H new ATOM 0 HG23 VAL A 13 -4.794 -5.692 -1.238 1.00 54.10 H new ATOM 149 N THR A 14 -6.644 -6.141 -5.301 1.00 34.40 N ATOM 150 CA THR A 14 -7.192 -6.588 -6.578 1.00 15.30 C ATOM 151 C THR A 14 -7.677 -5.404 -7.409 1.00 13.10 C ATOM 152 O THR A 14 -7.489 -5.368 -8.625 1.00 12.30 O ATOM 153 CB THR A 14 -8.342 -7.569 -6.347 1.00 35.10 C ATOM 154 OG1 THR A 14 -7.994 -8.528 -5.364 1.00 23.50 O ATOM 155 CG2 THR A 14 -8.750 -8.319 -7.596 1.00 4.24 C ATOM 0 H THR A 14 -7.096 -6.549 -4.482 1.00 34.40 H new ATOM 0 HA THR A 14 -6.398 -7.092 -7.128 1.00 15.30 H new ATOM 0 HB THR A 14 -9.182 -6.956 -6.021 1.00 35.10 H new ATOM 0 HG1 THR A 14 -8.192 -8.170 -4.473 1.00 23.50 H new ATOM 0 HG21 THR A 14 -9.570 -8.998 -7.361 1.00 4.24 H new ATOM 0 HG22 THR A 14 -9.073 -7.609 -8.358 1.00 4.24 H new ATOM 0 HG23 THR A 14 -7.901 -8.891 -7.970 1.00 4.24 H new ATOM 163 N LYS A 15 -8.301 -4.438 -6.744 1.00 62.40 N ATOM 164 CA LYS A 15 -8.813 -3.252 -7.420 1.00 63.40 C ATOM 165 C LYS A 15 -7.672 -2.349 -7.879 1.00 3.15 C ATOM 166 O LYS A 15 -7.801 -1.621 -8.863 1.00 15.40 O ATOM 167 CB LYS A 15 -9.751 -2.476 -6.494 1.00 62.30 C ATOM 168 CG LYS A 15 -11.030 -3.217 -6.172 1.00 23.00 C ATOM 169 CD LYS A 15 -12.180 -2.253 -5.916 1.00 45.30 C ATOM 170 CE LYS A 15 -13.340 -2.939 -5.205 1.00 4.33 C ATOM 171 NZ LYS A 15 -14.660 -2.446 -5.686 1.00 32.50 N ATOM 0 H LYS A 15 -8.464 -4.453 -5.737 1.00 62.40 H new ATOM 0 HA LYS A 15 -9.369 -3.579 -8.299 1.00 63.40 H new ATOM 0 HB2 LYS A 15 -9.227 -2.251 -5.565 1.00 62.30 H new ATOM 0 HB3 LYS A 15 -10.000 -1.522 -6.959 1.00 62.30 H new ATOM 0 HG2 LYS A 15 -11.286 -3.880 -6.998 1.00 23.00 H new ATOM 0 HG3 LYS A 15 -10.877 -3.845 -5.294 1.00 23.00 H new ATOM 0 HD2 LYS A 15 -11.827 -1.416 -5.313 1.00 45.30 H new ATOM 0 HD3 LYS A 15 -12.526 -1.840 -6.863 1.00 45.30 H new ATOM 0 HE2 LYS A 15 -13.276 -4.016 -5.363 1.00 4.33 H new ATOM 0 HE3 LYS A 15 -13.259 -2.769 -4.131 1.00 4.33 H new ATOM 0 HZ1 LYS A 15 -15.421 -2.939 -5.177 1.00 32.50 H new ATOM 0 HZ2 LYS A 15 -14.733 -1.423 -5.513 1.00 32.50 H new ATOM 0 HZ3 LYS A 15 -14.749 -2.631 -6.705 1.00 32.50 H new ATOM 185 N ALA A 16 -6.555 -2.402 -7.160 1.00 51.20 N ATOM 186 CA ALA A 16 -5.392 -1.589 -7.495 1.00 14.10 C ATOM 187 C ALA A 16 -4.625 -2.186 -8.669 1.00 21.40 C ATOM 188 O ALA A 16 -4.123 -1.462 -9.529 1.00 64.40 O ATOM 189 CB ALA A 16 -4.482 -1.447 -6.285 1.00 63.40 C ATOM 0 H ALA A 16 -6.431 -2.999 -6.342 1.00 51.20 H new ATOM 0 HA ALA A 16 -5.743 -0.600 -7.790 1.00 14.10 H new ATOM 0 HB1 ALA A 16 -3.618 -0.838 -6.549 1.00 63.40 H new ATOM 0 HB2 ALA A 16 -5.029 -0.968 -5.473 1.00 63.40 H new ATOM 0 HB3 ALA A 16 -4.146 -2.433 -5.964 1.00 63.40 H new ATOM 195 N THR A 17 -4.539 -3.512 -8.699 1.00 60.50 N ATOM 196 CA THR A 17 -3.833 -4.208 -9.769 1.00 21.10 C ATOM 197 C THR A 17 -4.460 -3.896 -11.120 1.00 74.40 C ATOM 198 O THR A 17 -3.763 -3.540 -12.070 1.00 62.00 O ATOM 199 CB THR A 17 -3.845 -5.720 -9.521 1.00 30.10 C ATOM 200 OG1 THR A 17 -4.503 -6.027 -8.304 1.00 10.40 O ATOM 201 CG2 THR A 17 -2.459 -6.325 -9.456 1.00 43.20 C ATOM 0 H THR A 17 -4.949 -4.126 -7.995 1.00 60.50 H new ATOM 0 HA THR A 17 -2.800 -3.860 -9.778 1.00 21.10 H new ATOM 0 HB THR A 17 -4.374 -6.147 -10.373 1.00 30.10 H new ATOM 0 HG1 THR A 17 -4.051 -5.571 -7.564 1.00 10.40 H new ATOM 0 HG21 THR A 17 -2.538 -7.398 -9.278 1.00 43.20 H new ATOM 0 HG22 THR A 17 -1.941 -6.151 -10.399 1.00 43.20 H new ATOM 0 HG23 THR A 17 -1.898 -5.863 -8.644 1.00 43.20 H new ATOM 209 N GLU A 18 -5.780 -4.031 -11.200 1.00 33.40 N ATOM 210 CA GLU A 18 -6.501 -3.763 -12.440 1.00 30.40 C ATOM 211 C GLU A 18 -6.473 -2.275 -12.770 1.00 44.40 C ATOM 212 O GLU A 18 -6.476 -1.892 -13.940 1.00 54.40 O ATOM 213 CB GLU A 18 -7.948 -4.245 -12.330 1.00 71.10 C ATOM 214 CG GLU A 18 -8.746 -3.526 -11.250 1.00 64.40 C ATOM 215 CD GLU A 18 -10.110 -4.139 -11.030 1.00 63.50 C ATOM 216 OE1 GLU A 18 -11.070 -3.710 -11.720 1.00 30.20 O ATOM 217 OE2 GLU A 18 -10.230 -5.047 -10.190 1.00 34.20 O ATOM 0 H GLU A 18 -6.372 -4.324 -10.422 1.00 33.40 H new ATOM 0 HA GLU A 18 -6.006 -4.307 -13.244 1.00 30.40 H new ATOM 0 HB2 GLU A 18 -8.443 -4.105 -13.291 1.00 71.10 H new ATOM 0 HB3 GLU A 18 -7.952 -5.315 -12.122 1.00 71.10 H new ATOM 0 HG2 GLU A 18 -8.187 -3.548 -10.315 1.00 64.40 H new ATOM 0 HG3 GLU A 18 -8.863 -2.478 -11.527 1.00 64.40 H new ATOM 224 N GLU A 19 -6.445 -1.442 -11.740 1.00 43.30 N ATOM 225 CA GLU A 19 -6.416 0.004 -11.920 1.00 71.40 C ATOM 226 C GLU A 19 -5.183 0.427 -12.720 1.00 14.30 C ATOM 227 O GLU A 19 -5.297 0.999 -13.800 1.00 22.40 O ATOM 228 CB GLU A 19 -6.432 0.713 -10.570 1.00 64.00 C ATOM 229 CG GLU A 19 -7.831 1.034 -10.070 1.00 41.30 C ATOM 230 CD GLU A 19 -8.514 2.106 -10.890 1.00 44.10 C ATOM 231 OE1 GLU A 19 -8.071 2.348 -12.040 1.00 1.02 O ATOM 232 OE2 GLU A 19 -9.493 2.704 -10.400 1.00 34.10 O ATOM 0 H GLU A 19 -6.442 -1.744 -10.766 1.00 43.30 H new ATOM 0 HA GLU A 19 -7.307 0.292 -12.478 1.00 71.40 H new ATOM 0 HB2 GLU A 19 -5.926 0.088 -9.834 1.00 64.00 H new ATOM 0 HB3 GLU A 19 -5.861 1.638 -10.648 1.00 64.00 H new ATOM 0 HG2 GLU A 19 -8.436 0.127 -10.089 1.00 41.30 H new ATOM 0 HG3 GLU A 19 -7.775 1.358 -9.031 1.00 41.30 H new ATOM 239 N ASP A 20 -4.006 0.142 -12.170 1.00 50.10 N ATOM 240 CA ASP A 20 -2.752 0.492 -12.830 1.00 33.10 C ATOM 241 C ASP A 20 -2.666 -0.141 -14.210 1.00 52.40 C ATOM 242 O ASP A 20 -2.046 0.412 -15.120 1.00 61.30 O ATOM 243 CB ASP A 20 -1.563 0.044 -11.970 1.00 75.40 C ATOM 244 CG ASP A 20 -0.282 0.767 -12.340 1.00 74.30 C ATOM 245 OD1 ASP A 20 0.010 0.880 -13.550 1.00 71.10 O ATOM 246 OD2 ASP A 20 0.429 1.221 -11.420 1.00 11.50 O ATOM 0 H ASP A 20 -3.894 -0.329 -11.272 1.00 50.10 H new ATOM 0 HA ASP A 20 -2.720 1.575 -12.950 1.00 33.10 H new ATOM 0 HB2 ASP A 20 -1.789 0.224 -10.919 1.00 75.40 H new ATOM 0 HB3 ASP A 20 -1.418 -1.030 -12.085 1.00 75.40 H new ATOM 251 N LYS A 21 -3.292 -1.303 -14.370 1.00 15.20 N ATOM 252 CA LYS A 21 -3.287 -2.011 -15.640 1.00 34.50 C ATOM 253 C LYS A 21 -4.101 -1.256 -16.690 1.00 62.00 C ATOM 254 O LYS A 21 -3.818 -1.333 -17.880 1.00 73.00 O ATOM 255 CB LYS A 21 -3.846 -3.424 -15.460 1.00 61.30 C ATOM 256 CG LYS A 21 -3.134 -4.469 -16.310 1.00 54.00 C ATOM 257 CD LYS A 21 -2.070 -5.201 -15.500 1.00 42.20 C ATOM 258 CE LYS A 21 -1.676 -6.511 -16.170 1.00 50.40 C ATOM 259 NZ LYS A 21 -1.265 -7.537 -15.170 1.00 54.20 N ATOM 0 H LYS A 21 -3.811 -1.774 -13.629 1.00 15.20 H new ATOM 0 HA LYS A 21 -2.256 -2.077 -15.988 1.00 34.50 H new ATOM 0 HB2 LYS A 21 -3.769 -3.706 -14.410 1.00 61.30 H new ATOM 0 HB3 LYS A 21 -4.906 -3.422 -15.712 1.00 61.30 H new ATOM 0 HG2 LYS A 21 -3.860 -5.185 -16.695 1.00 54.00 H new ATOM 0 HG3 LYS A 21 -2.672 -3.988 -17.172 1.00 54.00 H new ATOM 0 HD2 LYS A 21 -1.191 -4.566 -15.391 1.00 42.20 H new ATOM 0 HD3 LYS A 21 -2.446 -5.401 -14.497 1.00 42.20 H new ATOM 0 HE2 LYS A 21 -2.515 -6.888 -16.755 1.00 50.40 H new ATOM 0 HE3 LYS A 21 -0.857 -6.332 -16.866 1.00 50.40 H new ATOM 0 HZ1 LYS A 21 -1.004 -8.416 -15.661 1.00 54.20 H new ATOM 0 HZ2 LYS A 21 -0.449 -7.187 -14.629 1.00 54.20 H new ATOM 0 HZ3 LYS A 21 -2.056 -7.725 -14.521 1.00 54.20 H new ATOM 273 N ALA A 22 -5.114 -0.526 -16.230 1.00 73.00 N ATOM 274 CA ALA A 22 -5.969 0.242 -17.130 1.00 51.30 C ATOM 275 C ALA A 22 -5.539 1.704 -17.180 1.00 64.20 C ATOM 276 O ALA A 22 -6.362 2.597 -17.380 1.00 44.00 O ATOM 277 CB ALA A 22 -7.422 0.133 -16.690 1.00 2.24 C ATOM 0 H ALA A 22 -5.362 -0.450 -15.243 1.00 73.00 H new ATOM 0 HA ALA A 22 -5.869 -0.173 -18.133 1.00 51.30 H new ATOM 0 HB1 ALA A 22 -8.052 0.709 -17.368 1.00 2.24 H new ATOM 0 HB2 ALA A 22 -7.730 -0.912 -16.709 1.00 2.24 H new ATOM 0 HB3 ALA A 22 -7.526 0.524 -15.678 1.00 2.24 H new ATOM 283 N LYS A 23 -4.244 1.943 -17.000 1.00 62.20 N ATOM 284 CA LYS A 23 -3.704 3.297 -17.030 1.00 35.50 C ATOM 285 C LYS A 23 -4.355 4.167 -15.960 1.00 1.15 C ATOM 286 O LYS A 23 -5.135 5.069 -16.260 1.00 74.50 O ATOM 287 CB LYS A 23 -3.914 3.923 -18.410 1.00 70.10 C ATOM 288 CG LYS A 23 -3.460 3.033 -19.550 1.00 65.40 C ATOM 289 CD LYS A 23 -4.176 3.385 -20.850 1.00 21.40 C ATOM 290 CE LYS A 23 -3.747 2.473 -21.990 1.00 14.40 C ATOM 291 NZ LYS A 23 -2.704 3.105 -22.840 1.00 72.50 N ATOM 0 H LYS A 23 -3.549 1.216 -16.832 1.00 62.20 H new ATOM 0 HA LYS A 23 -2.635 3.239 -16.824 1.00 35.50 H new ATOM 0 HB2 LYS A 23 -4.971 4.155 -18.539 1.00 70.10 H new ATOM 0 HB3 LYS A 23 -3.372 4.868 -18.459 1.00 70.10 H new ATOM 0 HG2 LYS A 23 -2.383 3.135 -19.687 1.00 65.40 H new ATOM 0 HG3 LYS A 23 -3.652 1.990 -19.298 1.00 65.40 H new ATOM 0 HD2 LYS A 23 -5.253 3.306 -20.706 1.00 21.40 H new ATOM 0 HD3 LYS A 23 -3.965 4.421 -21.113 1.00 21.40 H new ATOM 0 HE2 LYS A 23 -3.366 1.537 -21.583 1.00 14.40 H new ATOM 0 HE3 LYS A 23 -4.614 2.225 -22.603 1.00 14.40 H new ATOM 0 HZ1 LYS A 23 -2.438 2.453 -23.605 1.00 72.50 H new ATOM 0 HZ2 LYS A 23 -3.076 3.986 -23.249 1.00 72.50 H new ATOM 0 HZ3 LYS A 23 -1.867 3.319 -22.261 1.00 72.50 H new ATOM 305 N ASN A 24 -4.029 3.889 -14.700 1.00 30.40 N ATOM 306 CA ASN A 24 -4.581 4.646 -13.580 1.00 4.12 C ATOM 307 C ASN A 24 -3.664 4.564 -12.360 1.00 75.40 C ATOM 308 O ASN A 24 -3.966 3.873 -11.390 1.00 25.20 O ATOM 309 CB ASN A 24 -5.974 4.125 -13.220 1.00 2.42 C ATOM 310 CG ASN A 24 -7.077 4.893 -13.920 1.00 75.30 C ATOM 311 OD1 ASN A 24 -6.821 5.885 -14.610 1.00 44.40 O ATOM 312 ND2 ASN A 24 -8.313 4.436 -13.760 1.00 32.40 N ATOM 0 H ASN A 24 -3.386 3.145 -14.429 1.00 30.40 H new ATOM 0 HA ASN A 24 -4.658 5.690 -13.885 1.00 4.12 H new ATOM 0 HB2 ASN A 24 -6.044 3.070 -13.486 1.00 2.42 H new ATOM 0 HB3 ASN A 24 -6.116 4.192 -12.141 1.00 2.42 H new ATOM 0 HD21 ASN A 24 -9.094 4.908 -14.216 1.00 32.40 H new ATOM 0 HD22 ASN A 24 -8.482 3.613 -13.181 1.00 32.40 H new ATOM 319 N TYR A 25 -2.542 5.273 -12.430 1.00 3.52 N ATOM 320 CA TYR A 25 -1.579 5.281 -11.330 1.00 55.10 C ATOM 321 C TYR A 25 -2.143 6.009 -10.120 1.00 63.20 C ATOM 322 O TYR A 25 -1.818 5.677 -8.981 1.00 74.20 O ATOM 323 CB TYR A 25 -0.275 5.944 -11.780 1.00 25.50 C ATOM 324 CG TYR A 25 0.217 5.467 -13.130 1.00 63.10 C ATOM 325 CD1 TYR A 25 0.284 4.111 -13.420 1.00 41.20 C ATOM 326 CD2 TYR A 25 0.615 6.372 -14.100 1.00 54.30 C ATOM 327 CE1 TYR A 25 0.733 3.671 -14.650 1.00 51.50 C ATOM 328 CE2 TYR A 25 1.064 5.940 -15.340 1.00 51.20 C ATOM 329 CZ TYR A 25 1.122 4.589 -15.610 1.00 22.50 C ATOM 330 OH TYR A 25 1.569 4.155 -16.830 1.00 64.40 O ATOM 0 H TYR A 25 -2.276 5.847 -13.231 1.00 3.52 H new ATOM 0 HA TYR A 25 -1.377 4.249 -11.045 1.00 55.10 H new ATOM 0 HB2 TYR A 25 -0.421 7.024 -11.817 1.00 25.50 H new ATOM 0 HB3 TYR A 25 0.496 5.752 -11.034 1.00 25.50 H new ATOM 0 HD1 TYR A 25 -0.019 3.391 -12.674 1.00 41.20 H new ATOM 0 HD2 TYR A 25 0.575 7.430 -13.888 1.00 54.30 H new ATOM 0 HE1 TYR A 25 0.780 2.613 -14.862 1.00 51.50 H new ATOM 0 HE2 TYR A 25 1.366 6.657 -16.089 1.00 51.20 H new ATOM 0 HH TYR A 25 1.801 4.927 -17.387 1.00 64.40 H new ATOM 340 N GLU A 26 -2.990 7.002 -10.370 1.00 13.50 N ATOM 341 CA GLU A 26 -3.599 7.777 -9.297 1.00 63.30 C ATOM 342 C GLU A 26 -4.568 6.919 -8.489 1.00 62.30 C ATOM 343 O GLU A 26 -4.422 6.775 -7.275 1.00 65.20 O ATOM 344 CB GLU A 26 -4.331 8.993 -9.868 1.00 14.10 C ATOM 345 CG GLU A 26 -4.240 10.227 -8.985 1.00 42.40 C ATOM 346 CD GLU A 26 -4.733 9.971 -7.574 1.00 35.20 C ATOM 347 OE1 GLU A 26 -4.032 9.265 -6.820 1.00 13.40 O ATOM 348 OE2 GLU A 26 -5.820 10.478 -7.224 1.00 72.20 O ATOM 0 H GLU A 26 -3.270 7.289 -11.308 1.00 13.50 H new ATOM 0 HA GLU A 26 -2.804 8.119 -8.634 1.00 63.30 H new ATOM 0 HB2 GLU A 26 -3.919 9.227 -10.849 1.00 14.10 H new ATOM 0 HB3 GLU A 26 -5.381 8.739 -10.016 1.00 14.10 H new ATOM 0 HG2 GLU A 26 -3.205 10.568 -8.948 1.00 42.40 H new ATOM 0 HG3 GLU A 26 -4.825 11.032 -9.430 1.00 42.40 H new ATOM 355 N GLU A 27 -5.557 6.351 -9.171 1.00 52.30 N ATOM 356 CA GLU A 27 -6.550 5.507 -8.517 1.00 1.40 C ATOM 357 C GLU A 27 -5.892 4.289 -7.875 1.00 42.50 C ATOM 358 O GLU A 27 -6.250 3.890 -6.767 1.00 54.40 O ATOM 359 CB GLU A 27 -7.611 5.057 -9.523 1.00 35.10 C ATOM 360 CG GLU A 27 -9.013 4.993 -8.941 1.00 13.50 C ATOM 361 CD GLU A 27 -10.080 5.348 -9.956 1.00 24.50 C ATOM 362 OE1 GLU A 27 -9.824 6.224 -10.800 1.00 11.20 O ATOM 363 OE2 GLU A 27 -11.170 4.751 -9.898 1.00 43.10 O ATOM 0 H GLU A 27 -5.692 6.460 -10.176 1.00 52.30 H new ATOM 0 HA GLU A 27 -7.029 6.094 -7.733 1.00 1.40 H new ATOM 0 HB2 GLU A 27 -7.610 5.742 -10.371 1.00 35.10 H new ATOM 0 HB3 GLU A 27 -7.341 4.073 -9.908 1.00 35.10 H new ATOM 0 HG2 GLU A 27 -9.199 3.989 -8.560 1.00 13.50 H new ATOM 0 HG3 GLU A 27 -9.082 5.674 -8.093 1.00 13.50 H new ATOM 370 N ALA A 28 -4.929 3.703 -8.579 1.00 75.40 N ATOM 371 CA ALA A 28 -4.222 2.530 -8.078 1.00 4.01 C ATOM 372 C ALA A 28 -3.535 2.829 -6.750 1.00 55.10 C ATOM 373 O ALA A 28 -3.615 2.041 -5.807 1.00 71.50 O ATOM 374 CB ALA A 28 -3.206 2.050 -9.103 1.00 71.30 C ATOM 0 H ALA A 28 -4.620 4.021 -9.498 1.00 75.40 H new ATOM 0 HA ALA A 28 -4.953 1.740 -7.909 1.00 4.01 H new ATOM 0 HB1 ALA A 28 -2.685 1.174 -8.716 1.00 71.30 H new ATOM 0 HB2 ALA A 28 -3.719 1.788 -10.029 1.00 71.30 H new ATOM 0 HB3 ALA A 28 -2.485 2.843 -9.300 1.00 71.30 H new ATOM 380 N LEU A 29 -2.861 3.972 -6.681 1.00 54.40 N ATOM 381 CA LEU A 29 -2.160 4.375 -5.468 1.00 4.40 C ATOM 382 C LEU A 29 -3.131 4.513 -4.300 1.00 42.30 C ATOM 383 O LEU A 29 -2.782 4.233 -3.153 1.00 4.43 O ATOM 384 CB LEU A 29 -1.424 5.697 -5.694 1.00 71.20 C ATOM 385 CG LEU A 29 -0.365 6.040 -4.644 1.00 43.40 C ATOM 386 CD1 LEU A 29 -1.021 6.390 -3.317 1.00 41.40 C ATOM 387 CD2 LEU A 29 0.608 4.883 -4.470 1.00 43.10 C ATOM 0 H LEU A 29 -2.785 4.636 -7.452 1.00 54.40 H new ATOM 0 HA LEU A 29 -1.433 3.600 -5.224 1.00 4.40 H new ATOM 0 HB2 LEU A 29 -0.945 5.665 -6.673 1.00 71.20 H new ATOM 0 HB3 LEU A 29 -2.158 6.503 -5.724 1.00 71.20 H new ATOM 0 HG LEU A 29 0.193 6.910 -4.991 1.00 43.40 H new ATOM 0 HD11 LEU A 29 -0.252 6.631 -2.583 1.00 41.40 H new ATOM 0 HD12 LEU A 29 -1.677 7.250 -3.451 1.00 41.40 H new ATOM 0 HD13 LEU A 29 -1.605 5.540 -2.965 1.00 41.40 H new ATOM 0 HD21 LEU A 29 1.354 5.145 -3.720 1.00 43.10 H new ATOM 0 HD22 LEU A 29 0.064 3.996 -4.147 1.00 43.10 H new ATOM 0 HD23 LEU A 29 1.104 4.679 -5.419 1.00 43.10 H new ATOM 399 N ARG A 30 -4.352 4.945 -4.599 1.00 72.00 N ATOM 400 CA ARG A 30 -5.374 5.120 -3.574 1.00 61.20 C ATOM 401 C ARG A 30 -5.754 3.781 -2.951 1.00 54.10 C ATOM 402 O ARG A 30 -5.626 3.589 -1.741 1.00 3.31 O ATOM 403 CB ARG A 30 -6.614 5.789 -4.169 1.00 70.20 C ATOM 404 CG ARG A 30 -6.339 7.157 -4.770 1.00 61.10 C ATOM 405 CD ARG A 30 -7.537 8.081 -4.626 1.00 41.40 C ATOM 406 NE ARG A 30 -7.137 9.460 -4.357 1.00 60.10 N ATOM 407 CZ ARG A 30 -6.756 9.902 -3.161 1.00 40.20 C ATOM 408 NH1 ARG A 30 -6.722 9.077 -2.121 1.00 73.20 N ATOM 409 NH2 ARG A 30 -6.408 11.171 -3.003 1.00 31.40 N ATOM 0 H ARG A 30 -4.658 5.180 -5.543 1.00 72.00 H new ATOM 0 HA ARG A 30 -4.964 5.761 -2.793 1.00 61.20 H new ATOM 0 HB2 ARG A 30 -7.032 5.141 -4.939 1.00 70.20 H new ATOM 0 HB3 ARG A 30 -7.371 5.889 -3.391 1.00 70.20 H new ATOM 0 HG2 ARG A 30 -5.473 7.603 -4.280 1.00 61.10 H new ATOM 0 HG3 ARG A 30 -6.087 7.048 -5.825 1.00 61.10 H new ATOM 0 HD2 ARG A 30 -8.132 8.048 -5.539 1.00 41.40 H new ATOM 0 HD3 ARG A 30 -8.174 7.724 -3.817 1.00 41.40 H new ATOM 0 HE ARG A 30 -7.151 10.123 -5.132 1.00 60.10 H new ATOM 0 HH11 ARG A 30 -6.989 8.099 -2.237 1.00 73.20 H new ATOM 0 HH12 ARG A 30 -6.429 9.421 -1.207 1.00 73.20 H new ATOM 0 HH21 ARG A 30 -6.432 11.809 -3.798 1.00 31.40 H new ATOM 0 HH22 ARG A 30 -6.116 11.509 -2.086 1.00 31.40 H new ATOM 423 N LEU A 31 -6.222 2.857 -3.784 1.00 72.30 N ATOM 424 CA LEU A 31 -6.621 1.536 -3.315 1.00 13.50 C ATOM 425 C LEU A 31 -5.431 0.786 -2.724 1.00 64.30 C ATOM 426 O LEU A 31 -5.581 0.006 -1.783 1.00 32.20 O ATOM 427 CB LEU A 31 -7.230 0.727 -4.462 1.00 10.10 C ATOM 428 CG LEU A 31 -8.725 0.953 -4.691 1.00 22.20 C ATOM 429 CD1 LEU A 31 -9.081 0.724 -6.151 1.00 43.50 C ATOM 430 CD2 LEU A 31 -9.545 0.041 -3.791 1.00 13.20 C ATOM 0 H LEU A 31 -6.334 2.999 -4.788 1.00 72.30 H new ATOM 0 HA LEU A 31 -7.370 1.666 -2.534 1.00 13.50 H new ATOM 0 HB2 LEU A 31 -6.696 0.970 -5.381 1.00 10.10 H new ATOM 0 HB3 LEU A 31 -7.064 -0.333 -4.267 1.00 10.10 H new ATOM 0 HG LEU A 31 -8.960 1.987 -4.439 1.00 22.20 H new ATOM 0 HD11 LEU A 31 -10.149 0.889 -6.295 1.00 43.50 H new ATOM 0 HD12 LEU A 31 -8.519 1.418 -6.776 1.00 43.50 H new ATOM 0 HD13 LEU A 31 -8.831 -0.300 -6.430 1.00 43.50 H new ATOM 0 HD21 LEU A 31 -10.607 0.215 -3.967 1.00 13.20 H new ATOM 0 HD22 LEU A 31 -9.306 -0.999 -4.012 1.00 13.20 H new ATOM 0 HD23 LEU A 31 -9.311 0.253 -2.748 1.00 13.20 H new ATOM 442 N TYR A 32 -4.250 1.027 -3.282 1.00 24.40 N ATOM 443 CA TYR A 32 -3.034 0.375 -2.810 1.00 25.40 C ATOM 444 C TYR A 32 -2.717 0.786 -1.376 1.00 72.30 C ATOM 445 O TYR A 32 -2.321 -0.042 -0.555 1.00 22.10 O ATOM 446 CB TYR A 32 -1.857 0.720 -3.724 1.00 31.00 C ATOM 447 CG TYR A 32 -1.652 -0.269 -4.849 1.00 62.20 C ATOM 448 CD1 TYR A 32 -1.657 -1.637 -4.606 1.00 15.20 C ATOM 449 CD2 TYR A 32 -1.454 0.164 -6.154 1.00 4.04 C ATOM 450 CE1 TYR A 32 -1.470 -2.545 -5.631 1.00 4.33 C ATOM 451 CE2 TYR A 32 -1.266 -0.737 -7.185 1.00 21.40 C ATOM 452 CZ TYR A 32 -1.275 -2.090 -6.918 1.00 74.20 C ATOM 453 OH TYR A 32 -1.089 -2.990 -7.942 1.00 64.10 O ATOM 0 H TYR A 32 -4.109 1.669 -4.062 1.00 24.40 H new ATOM 0 HA TYR A 32 -3.198 -0.702 -2.832 1.00 25.40 H new ATOM 0 HB2 TYR A 32 -2.016 1.712 -4.148 1.00 31.00 H new ATOM 0 HB3 TYR A 32 -0.947 0.771 -3.126 1.00 31.00 H new ATOM 0 HD1 TYR A 32 -1.810 -1.997 -3.599 1.00 15.20 H new ATOM 0 HD2 TYR A 32 -1.447 1.223 -6.367 1.00 4.04 H new ATOM 0 HE1 TYR A 32 -1.477 -3.605 -5.425 1.00 4.33 H new ATOM 0 HE2 TYR A 32 -1.113 -0.384 -8.194 1.00 21.40 H new ATOM 0 HH TYR A 32 -1.568 -3.820 -7.739 1.00 64.10 H new ATOM 463 N GLN A 33 -2.893 2.069 -1.081 1.00 13.10 N ATOM 464 CA GLN A 33 -2.625 2.590 0.255 1.00 23.50 C ATOM 465 C GLN A 33 -3.502 1.900 1.295 1.00 53.30 C ATOM 466 O GLN A 33 -3.007 1.401 2.305 1.00 63.40 O ATOM 467 CB GLN A 33 -2.864 4.101 0.293 1.00 62.20 C ATOM 468 CG GLN A 33 -1.631 4.920 -0.055 1.00 34.10 C ATOM 469 CD GLN A 33 -1.951 6.384 -0.287 1.00 14.50 C ATOM 470 OE1 GLN A 33 -1.357 7.267 0.332 1.00 63.30 O ATOM 471 NE2 GLN A 33 -2.894 6.649 -1.184 1.00 14.20 N ATOM 0 H GLN A 33 -3.220 2.768 -1.748 1.00 13.10 H new ATOM 0 HA GLN A 33 -1.581 2.387 0.494 1.00 23.50 H new ATOM 0 HB2 GLN A 33 -3.665 4.352 -0.403 1.00 62.20 H new ATOM 0 HB3 GLN A 33 -3.207 4.381 1.289 1.00 62.20 H new ATOM 0 HG2 GLN A 33 -0.903 4.834 0.751 1.00 34.10 H new ATOM 0 HG3 GLN A 33 -1.166 4.507 -0.950 1.00 34.10 H new ATOM 0 HE21 GLN A 33 -3.361 5.886 -1.674 1.00 14.20 H new ATOM 0 HE22 GLN A 33 -3.151 7.616 -1.383 1.00 14.20 H new ATOM 480 N HIS A 34 -4.806 1.875 1.040 1.00 35.50 N ATOM 481 CA HIS A 34 -5.752 1.245 1.954 1.00 73.30 C ATOM 482 C HIS A 34 -5.432 -0.236 2.133 1.00 70.40 C ATOM 483 O HIS A 34 -5.556 -0.779 3.231 1.00 55.10 O ATOM 484 CB HIS A 34 -7.181 1.411 1.436 1.00 22.30 C ATOM 485 CG HIS A 34 -8.188 1.642 2.520 1.00 44.00 C ATOM 486 ND1 HIS A 34 -8.064 2.642 3.462 1.00 32.40 N ATOM 487 CD2 HIS A 34 -9.342 0.996 2.809 1.00 72.00 C ATOM 488 CE1 HIS A 34 -9.097 2.600 4.284 1.00 51.20 C ATOM 489 NE2 HIS A 34 -9.888 1.611 3.909 1.00 43.00 N ATOM 0 H HIS A 34 -5.232 2.284 0.208 1.00 35.50 H new ATOM 0 HA HIS A 34 -5.665 1.736 2.923 1.00 73.30 H new ATOM 0 HB2 HIS A 34 -7.211 2.249 0.739 1.00 22.30 H new ATOM 0 HB3 HIS A 34 -7.461 0.519 0.875 1.00 22.30 H new ATOM 0 HD2 HIS A 34 -9.756 0.154 2.274 1.00 72.00 H new ATOM 0 HE1 HIS A 34 -9.266 3.262 5.121 1.00 51.20 H new ATOM 0 HE2 HIS A 34 -10.762 1.347 4.363 1.00 43.00 H new ATOM 498 N ALA A 35 -5.021 -0.883 1.048 1.00 31.40 N ATOM 499 CA ALA A 35 -4.684 -2.301 1.085 1.00 75.40 C ATOM 500 C ALA A 35 -3.550 -2.570 2.068 1.00 71.20 C ATOM 501 O ALA A 35 -3.710 -3.330 3.023 1.00 2.34 O ATOM 502 CB ALA A 35 -4.308 -2.790 -0.305 1.00 12.40 C ATOM 0 H ALA A 35 -4.913 -0.448 0.132 1.00 31.40 H new ATOM 0 HA ALA A 35 -5.562 -2.850 1.426 1.00 75.40 H new ATOM 0 HB1 ALA A 35 -4.059 -3.850 -0.263 1.00 12.40 H new ATOM 0 HB2 ALA A 35 -5.149 -2.642 -0.983 1.00 12.40 H new ATOM 0 HB3 ALA A 35 -3.447 -2.229 -0.667 1.00 12.40 H new ATOM 508 N VAL A 36 -2.404 -1.942 1.827 1.00 31.40 N ATOM 509 CA VAL A 36 -1.242 -2.115 2.691 1.00 34.50 C ATOM 510 C VAL A 36 -1.551 -1.687 4.121 1.00 10.50 C ATOM 511 O VAL A 36 -1.088 -2.306 5.079 1.00 54.10 O ATOM 512 CB VAL A 36 -0.035 -1.308 2.177 1.00 31.30 C ATOM 513 CG1 VAL A 36 1.217 -1.654 2.969 1.00 24.30 C ATOM 514 CG2 VAL A 36 0.180 -1.556 0.691 1.00 65.00 C ATOM 0 H VAL A 36 -2.255 -1.309 1.041 1.00 31.40 H new ATOM 0 HA VAL A 36 -0.994 -3.176 2.677 1.00 34.50 H new ATOM 0 HB VAL A 36 -0.244 -0.248 2.319 1.00 31.30 H new ATOM 0 HG11 VAL A 36 2.059 -1.074 2.591 1.00 24.30 H new ATOM 0 HG12 VAL A 36 1.058 -1.419 4.022 1.00 24.30 H new ATOM 0 HG13 VAL A 36 1.432 -2.717 2.863 1.00 24.30 H new ATOM 0 HG21 VAL A 36 1.037 -0.977 0.346 1.00 65.00 H new ATOM 0 HG22 VAL A 36 0.367 -2.617 0.522 1.00 65.00 H new ATOM 0 HG23 VAL A 36 -0.709 -1.252 0.139 1.00 65.00 H new ATOM 524 N GLU A 37 -2.338 -0.625 4.259 1.00 12.00 N ATOM 525 CA GLU A 37 -2.709 -0.114 5.574 1.00 63.50 C ATOM 526 C GLU A 37 -3.458 -1.172 6.377 1.00 54.40 C ATOM 527 O GLU A 37 -3.267 -1.299 7.586 1.00 11.40 O ATOM 528 CB GLU A 37 -3.573 1.141 5.431 1.00 35.00 C ATOM 529 CG GLU A 37 -3.417 2.120 6.584 1.00 43.30 C ATOM 530 CD GLU A 37 -4.588 2.079 7.546 1.00 34.40 C ATOM 531 OE1 GLU A 37 -5.716 1.785 7.096 1.00 53.30 O ATOM 532 OE2 GLU A 37 -4.378 2.341 8.749 1.00 2.53 O ATOM 0 H GLU A 37 -2.731 -0.102 3.477 1.00 12.00 H new ATOM 0 HA GLU A 37 -1.794 0.142 6.109 1.00 63.50 H new ATOM 0 HB2 GLU A 37 -3.316 1.645 4.499 1.00 35.00 H new ATOM 0 HB3 GLU A 37 -4.619 0.845 5.355 1.00 35.00 H new ATOM 0 HG2 GLU A 37 -2.498 1.894 7.126 1.00 43.30 H new ATOM 0 HG3 GLU A 37 -3.313 3.130 6.187 1.00 43.30 H new ATOM 539 N TYR A 38 -4.311 -1.931 5.696 1.00 40.10 N ATOM 540 CA TYR A 38 -5.089 -2.979 6.347 1.00 42.30 C ATOM 541 C TYR A 38 -4.219 -4.194 6.649 1.00 2.12 C ATOM 542 O TYR A 38 -4.445 -4.903 7.630 1.00 54.30 O ATOM 543 CB TYR A 38 -6.270 -3.388 5.465 1.00 12.20 C ATOM 544 CG TYR A 38 -7.536 -2.610 5.746 1.00 21.10 C ATOM 545 CD1 TYR A 38 -7.581 -1.233 5.566 1.00 63.20 C ATOM 546 CD2 TYR A 38 -8.685 -3.251 6.191 1.00 43.50 C ATOM 547 CE1 TYR A 38 -8.735 -0.517 5.822 1.00 55.20 C ATOM 548 CE2 TYR A 38 -9.843 -2.543 6.449 1.00 23.30 C ATOM 549 CZ TYR A 38 -9.863 -1.177 6.263 1.00 4.45 C ATOM 550 OH TYR A 38 -11.010 -0.468 6.519 1.00 51.20 O ATOM 0 H TYR A 38 -4.481 -1.840 4.694 1.00 40.10 H new ATOM 0 HA TYR A 38 -5.468 -2.584 7.289 1.00 42.30 H new ATOM 0 HB2 TYR A 38 -5.995 -3.252 4.419 1.00 12.20 H new ATOM 0 HB3 TYR A 38 -6.468 -4.450 5.607 1.00 12.20 H new ATOM 0 HD1 TYR A 38 -6.699 -0.714 5.220 1.00 63.20 H new ATOM 0 HD2 TYR A 38 -8.673 -4.321 6.338 1.00 43.50 H new ATOM 0 HE1 TYR A 38 -8.753 0.553 5.678 1.00 55.20 H new ATOM 0 HE2 TYR A 38 -10.728 -3.057 6.795 1.00 23.30 H new ATOM 0 HH TYR A 38 -11.713 -1.081 6.821 1.00 51.20 H new ATOM 560 N PHE A 39 -3.224 -4.429 5.800 1.00 22.00 N ATOM 561 CA PHE A 39 -2.320 -5.560 5.976 1.00 5.22 C ATOM 562 C PHE A 39 -1.499 -5.405 7.252 1.00 15.40 C ATOM 563 O PHE A 39 -1.413 -6.328 8.063 1.00 45.10 O ATOM 564 CB PHE A 39 -1.389 -5.688 4.769 1.00 51.50 C ATOM 565 CG PHE A 39 -1.940 -6.560 3.677 1.00 31.20 C ATOM 566 CD1 PHE A 39 -2.392 -7.840 3.955 1.00 23.40 C ATOM 567 CD2 PHE A 39 -2.006 -6.099 2.372 1.00 41.30 C ATOM 568 CE1 PHE A 39 -2.899 -8.644 2.953 1.00 13.20 C ATOM 569 CE2 PHE A 39 -2.512 -6.899 1.365 1.00 22.30 C ATOM 570 CZ PHE A 39 -2.959 -8.173 1.655 1.00 73.40 C ATOM 0 H PHE A 39 -3.023 -3.852 4.983 1.00 22.00 H new ATOM 0 HA PHE A 39 -2.921 -6.465 6.059 1.00 5.22 H new ATOM 0 HB2 PHE A 39 -1.192 -4.695 4.365 1.00 51.50 H new ATOM 0 HB3 PHE A 39 -0.433 -6.094 5.099 1.00 51.50 H new ATOM 0 HD1 PHE A 39 -2.347 -8.213 4.967 1.00 23.40 H new ATOM 0 HD2 PHE A 39 -1.658 -5.103 2.139 1.00 41.30 H new ATOM 0 HE1 PHE A 39 -3.248 -9.640 3.183 1.00 13.20 H new ATOM 0 HE2 PHE A 39 -2.558 -6.528 0.352 1.00 22.30 H new ATOM 0 HZ PHE A 39 -3.355 -8.800 0.869 1.00 73.40 H new ATOM 580 N LEU A 40 -0.895 -4.234 7.424 1.00 5.53 N ATOM 581 CA LEU A 40 -0.080 -3.958 8.601 1.00 54.30 C ATOM 582 C LEU A 40 -0.910 -4.074 9.876 1.00 34.20 C ATOM 583 O LEU A 40 -0.499 -4.720 10.840 1.00 64.40 O ATOM 584 CB LEU A 40 0.537 -2.562 8.505 1.00 14.00 C ATOM 585 CG LEU A 40 1.378 -2.310 7.252 1.00 24.50 C ATOM 586 CD1 LEU A 40 1.996 -0.922 7.295 1.00 23.20 C ATOM 587 CD2 LEU A 40 2.457 -3.373 7.113 1.00 24.40 C ATOM 0 H LEU A 40 -0.955 -3.460 6.762 1.00 5.53 H new ATOM 0 HA LEU A 40 0.719 -4.698 8.640 1.00 54.30 H new ATOM 0 HB2 LEU A 40 -0.264 -1.824 8.540 1.00 14.00 H new ATOM 0 HB3 LEU A 40 1.162 -2.396 9.383 1.00 14.00 H new ATOM 0 HG LEU A 40 0.725 -2.367 6.381 1.00 24.50 H new ATOM 0 HD11 LEU A 40 2.591 -0.760 6.396 1.00 23.20 H new ATOM 0 HD12 LEU A 40 1.206 -0.173 7.347 1.00 23.20 H new ATOM 0 HD13 LEU A 40 2.636 -0.836 8.173 1.00 23.20 H new ATOM 0 HD21 LEU A 40 3.046 -3.179 6.217 1.00 24.40 H new ATOM 0 HD22 LEU A 40 3.108 -3.348 7.987 1.00 24.40 H new ATOM 0 HD23 LEU A 40 1.992 -4.356 7.035 1.00 24.40 H new ATOM 599 N HIS A 41 -2.079 -3.442 9.874 1.00 31.20 N ATOM 600 CA HIS A 41 -2.967 -3.474 11.031 1.00 43.30 C ATOM 601 C HIS A 41 -3.380 -4.905 11.361 1.00 52.20 C ATOM 602 O HIS A 41 -3.606 -5.243 12.523 1.00 61.40 O ATOM 603 CB HIS A 41 -4.209 -2.620 10.770 1.00 32.40 C ATOM 604 CG HIS A 41 -4.020 -1.172 11.101 1.00 13.10 C ATOM 605 ND1 HIS A 41 -3.332 -0.738 12.214 1.00 52.20 N ATOM 606 CD2 HIS A 41 -4.432 -0.054 10.457 1.00 42.20 C ATOM 607 CE1 HIS A 41 -3.331 0.583 12.241 1.00 11.20 C ATOM 608 NE2 HIS A 41 -3.991 1.022 11.186 1.00 13.00 N ATOM 0 H HIS A 41 -2.434 -2.902 9.085 1.00 31.20 H new ATOM 0 HA HIS A 41 -2.426 -3.065 11.884 1.00 43.30 H new ATOM 0 HB2 HIS A 41 -4.488 -2.711 9.720 1.00 32.40 H new ATOM 0 HB3 HIS A 41 -5.040 -3.013 11.356 1.00 32.40 H new ATOM 0 HD2 HIS A 41 -5.002 -0.016 9.540 1.00 42.20 H new ATOM 0 HE1 HIS A 41 -2.869 1.199 12.998 1.00 11.20 H new ATOM 0 HE2 HIS A 41 -4.148 2.002 10.951 1.00 13.00 H new ATOM 617 N ALA A 42 -3.475 -5.740 10.332 1.00 33.40 N ATOM 618 CA ALA A 42 -3.860 -7.135 10.513 1.00 42.40 C ATOM 619 C ALA A 42 -2.702 -7.956 11.068 1.00 33.30 C ATOM 620 O ALA A 42 -2.841 -8.638 12.083 1.00 72.40 O ATOM 621 CB ALA A 42 -4.345 -7.723 9.197 1.00 34.40 C ATOM 0 H ALA A 42 -3.291 -5.475 9.364 1.00 33.40 H new ATOM 0 HA ALA A 42 -4.675 -7.171 11.236 1.00 42.40 H new ATOM 0 HB1 ALA A 42 -4.629 -8.765 9.347 1.00 34.40 H new ATOM 0 HB2 ALA A 42 -5.208 -7.159 8.842 1.00 34.40 H new ATOM 0 HB3 ALA A 42 -3.546 -7.667 8.457 1.00 34.40 H new ATOM 627 N ILE A 43 -1.558 -7.887 10.394 1.00 61.40 N ATOM 628 CA ILE A 43 -0.375 -8.625 10.820 1.00 23.20 C ATOM 629 C ILE A 43 0.120 -8.132 12.175 1.00 61.30 C ATOM 630 O ILE A 43 0.632 -8.910 12.981 1.00 23.10 O ATOM 631 CB ILE A 43 0.767 -8.500 9.791 1.00 51.00 C ATOM 632 CG1 ILE A 43 0.261 -8.840 8.387 1.00 52.10 C ATOM 633 CG2 ILE A 43 1.928 -9.405 10.175 1.00 33.40 C ATOM 634 CD1 ILE A 43 0.810 -7.930 7.311 1.00 64.30 C ATOM 0 H ILE A 43 -1.426 -7.328 9.551 1.00 61.40 H new ATOM 0 HA ILE A 43 -0.667 -9.672 10.901 1.00 23.20 H new ATOM 0 HB ILE A 43 1.120 -7.469 9.788 1.00 51.00 H new ATOM 0 HG12 ILE A 43 0.529 -9.870 8.152 1.00 52.10 H new ATOM 0 HG13 ILE A 43 -0.828 -8.784 8.378 1.00 52.10 H new ATOM 0 HG21 ILE A 43 2.726 -9.305 9.439 1.00 33.40 H new ATOM 0 HG22 ILE A 43 2.303 -9.119 11.158 1.00 33.40 H new ATOM 0 HG23 ILE A 43 1.588 -10.440 10.204 1.00 33.40 H new ATOM 0 HD11 ILE A 43 0.409 -8.229 6.342 1.00 64.30 H new ATOM 0 HD12 ILE A 43 0.520 -6.901 7.522 1.00 64.30 H new ATOM 0 HD13 ILE A 43 1.897 -8.003 7.292 1.00 64.30 H new ATOM 646 N LYS A 44 -0.035 -6.835 12.420 1.00 13.50 N ATOM 647 CA LYS A 44 0.397 -6.239 13.679 1.00 1.54 C ATOM 648 C LYS A 44 -0.529 -6.646 14.820 1.00 11.20 C ATOM 649 O LYS A 44 -0.084 -6.858 15.948 1.00 35.10 O ATOM 650 CB LYS A 44 0.437 -4.714 13.558 1.00 50.10 C ATOM 651 CG LYS A 44 0.969 -4.019 14.800 1.00 32.50 C ATOM 652 CD LYS A 44 0.428 -2.603 14.920 1.00 10.10 C ATOM 653 CE LYS A 44 0.732 -2.005 16.285 1.00 31.20 C ATOM 654 NZ LYS A 44 0.406 -2.948 17.390 1.00 72.40 N ATOM 0 H LYS A 44 -0.456 -6.177 11.764 1.00 13.50 H new ATOM 0 HA LYS A 44 1.399 -6.606 13.901 1.00 1.54 H new ATOM 0 HB2 LYS A 44 1.059 -4.442 12.705 1.00 50.10 H new ATOM 0 HB3 LYS A 44 -0.568 -4.348 13.349 1.00 50.10 H new ATOM 0 HG2 LYS A 44 0.693 -4.592 15.685 1.00 32.50 H new ATOM 0 HG3 LYS A 44 2.058 -3.992 14.765 1.00 32.50 H new ATOM 0 HD2 LYS A 44 0.866 -1.978 14.142 1.00 10.10 H new ATOM 0 HD3 LYS A 44 -0.650 -2.609 14.756 1.00 10.10 H new ATOM 0 HE2 LYS A 44 1.787 -1.736 16.337 1.00 31.20 H new ATOM 0 HE3 LYS A 44 0.162 -1.085 16.413 1.00 31.20 H new ATOM 0 HZ1 LYS A 44 0.149 -2.409 18.242 1.00 72.40 H new ATOM 0 HZ2 LYS A 44 -0.393 -3.551 17.108 1.00 72.40 H new ATOM 0 HZ3 LYS A 44 1.234 -3.544 17.594 1.00 72.40 H new ATOM 668 N TYR A 45 -1.819 -6.752 14.519 1.00 62.20 N ATOM 669 CA TYR A 45 -2.809 -7.134 15.520 1.00 33.20 C ATOM 670 C TYR A 45 -2.842 -8.648 15.703 1.00 12.10 C ATOM 671 O TYR A 45 -3.115 -9.145 16.796 1.00 32.10 O ATOM 672 CB TYR A 45 -4.194 -6.627 15.117 1.00 72.10 C ATOM 673 CG TYR A 45 -4.435 -5.176 15.470 1.00 2.04 C ATOM 674 CD1 TYR A 45 -3.527 -4.192 15.102 1.00 71.40 C ATOM 675 CD2 TYR A 45 -5.571 -4.791 16.171 1.00 64.40 C ATOM 676 CE1 TYR A 45 -3.744 -2.865 15.423 1.00 4.44 C ATOM 677 CE2 TYR A 45 -5.795 -3.467 16.495 1.00 3.21 C ATOM 678 CZ TYR A 45 -4.879 -2.508 16.119 1.00 31.10 C ATOM 679 OH TYR A 45 -5.098 -1.188 16.440 1.00 42.20 O ATOM 0 H TYR A 45 -2.203 -6.579 13.590 1.00 62.20 H new ATOM 0 HA TYR A 45 -2.525 -6.678 16.468 1.00 33.20 H new ATOM 0 HB2 TYR A 45 -4.320 -6.756 14.042 1.00 72.10 H new ATOM 0 HB3 TYR A 45 -4.952 -7.241 15.603 1.00 72.10 H new ATOM 0 HD1 TYR A 45 -2.637 -4.468 14.556 1.00 71.40 H new ATOM 0 HD2 TYR A 45 -6.291 -5.539 16.468 1.00 64.40 H new ATOM 0 HE1 TYR A 45 -3.028 -2.112 15.130 1.00 4.44 H new ATOM 0 HE2 TYR A 45 -6.683 -3.185 17.040 1.00 3.21 H new ATOM 0 HH TYR A 45 -5.943 -1.106 16.929 1.00 42.20 H new ATOM 689 N GLU A 46 -2.563 -9.375 14.627 1.00 62.10 N ATOM 690 CA GLU A 46 -2.560 -10.830 14.669 1.00 21.30 C ATOM 691 C GLU A 46 -1.764 -11.400 13.503 1.00 32.20 C ATOM 692 O GLU A 46 -1.811 -10.880 12.388 1.00 65.20 O ATOM 693 CB GLU A 46 -3.994 -11.360 14.636 1.00 53.20 C ATOM 694 CG GLU A 46 -4.089 -12.860 14.867 1.00 70.40 C ATOM 695 CD GLU A 46 -5.210 -13.500 14.072 1.00 3.43 C ATOM 696 OE1 GLU A 46 -5.309 -13.230 12.857 1.00 23.40 O ATOM 697 OE2 GLU A 46 -5.990 -14.280 14.664 1.00 2.52 O ATOM 0 H GLU A 46 -2.336 -8.979 13.715 1.00 62.10 H new ATOM 0 HA GLU A 46 -2.086 -11.147 15.598 1.00 21.30 H new ATOM 0 HB2 GLU A 46 -4.581 -10.845 15.396 1.00 53.20 H new ATOM 0 HB3 GLU A 46 -4.440 -11.119 13.671 1.00 53.20 H new ATOM 0 HG2 GLU A 46 -3.142 -13.327 14.595 1.00 70.40 H new ATOM 0 HG3 GLU A 46 -4.245 -13.052 15.929 1.00 70.40 H new ATOM 704 N ALA A 47 -1.033 -12.480 13.768 1.00 34.10 N ATOM 705 CA ALA A 47 -0.227 -13.130 12.741 1.00 35.10 C ATOM 706 C ALA A 47 -0.156 -14.640 12.968 1.00 75.10 C ATOM 707 O ALA A 47 -0.249 -15.110 14.101 1.00 54.10 O ATOM 708 CB ALA A 47 1.171 -12.530 12.713 1.00 71.20 C ATOM 0 H ALA A 47 -0.983 -12.923 14.686 1.00 34.10 H new ATOM 0 HA ALA A 47 -0.704 -12.959 11.776 1.00 35.10 H new ATOM 0 HB1 ALA A 47 1.763 -13.023 11.942 1.00 71.20 H new ATOM 0 HB2 ALA A 47 1.105 -11.464 12.493 1.00 71.20 H new ATOM 0 HB3 ALA A 47 1.647 -12.672 13.683 1.00 71.20 H new ATOM 714 N HIS A 48 0.011 -15.390 11.883 1.00 64.40 N ATOM 715 CA HIS A 48 0.095 -16.840 11.964 1.00 21.40 C ATOM 716 C HIS A 48 1.402 -17.270 12.619 1.00 25.20 C ATOM 717 O HIS A 48 1.399 -17.920 13.668 1.00 60.30 O ATOM 718 CB HIS A 48 -0.020 -17.460 10.569 1.00 31.50 C ATOM 719 CG HIS A 48 -0.566 -18.850 10.574 1.00 54.30 C ATOM 720 ND1 HIS A 48 -1.668 -19.230 9.837 1.00 34.20 N ATOM 721 CD2 HIS A 48 -0.155 -19.960 11.232 1.00 11.00 C ATOM 722 CE1 HIS A 48 -1.912 -20.510 10.042 1.00 70.20 C ATOM 723 NE2 HIS A 48 -1.008 -20.980 10.884 1.00 54.30 N ATOM 0 H HIS A 48 0.091 -15.015 10.938 1.00 64.40 H new ATOM 0 HA HIS A 48 -0.733 -17.194 12.578 1.00 21.40 H new ATOM 0 HB2 HIS A 48 -0.661 -16.830 9.952 1.00 31.50 H new ATOM 0 HB3 HIS A 48 0.965 -17.467 10.102 1.00 31.50 H new ATOM 0 HD2 HIS A 48 0.687 -20.031 11.905 1.00 11.00 H new ATOM 0 HE1 HIS A 48 -2.715 -21.078 9.597 1.00 70.20 H new ATOM 0 HE2 HIS A 48 -0.953 -21.941 11.220 1.00 54.30 H new ATOM 732 N SER A 49 2.519 -16.920 11.992 1.00 15.30 N ATOM 733 CA SER A 49 3.834 -17.270 12.514 1.00 33.50 C ATOM 734 C SER A 49 4.901 -16.310 11.993 1.00 13.30 C ATOM 735 O SER A 49 4.607 -15.400 11.217 1.00 22.40 O ATOM 736 CB SER A 49 4.190 -18.710 12.129 1.00 22.40 C ATOM 737 OG SER A 49 3.255 -19.630 12.666 1.00 13.40 O ATOM 0 H SER A 49 2.540 -16.393 11.119 1.00 15.30 H new ATOM 0 HA SER A 49 3.801 -17.189 13.600 1.00 33.50 H new ATOM 0 HB2 SER A 49 4.214 -18.804 11.043 1.00 22.40 H new ATOM 0 HB3 SER A 49 5.190 -18.950 12.492 1.00 22.40 H new ATOM 0 HG SER A 49 2.588 -19.146 13.196 1.00 13.40 H new ATOM 743 N ASP A 50 6.140 -16.520 12.425 1.00 31.00 N ATOM 744 CA ASP A 50 7.250 -15.680 12.002 1.00 40.10 C ATOM 745 C ASP A 50 7.435 -15.740 10.489 1.00 24.30 C ATOM 746 O ASP A 50 7.549 -14.710 9.825 1.00 73.10 O ATOM 747 CB ASP A 50 8.540 -16.110 12.703 1.00 22.40 C ATOM 748 CG ASP A 50 8.752 -15.380 14.018 1.00 42.10 C ATOM 749 OD1 ASP A 50 7.940 -15.590 14.945 1.00 30.30 O ATOM 750 OD2 ASP A 50 9.730 -14.610 14.121 1.00 30.30 O ATOM 0 H ASP A 50 6.399 -17.267 13.069 1.00 31.00 H new ATOM 0 HA ASP A 50 7.019 -14.652 12.280 1.00 40.10 H new ATOM 0 HB2 ASP A 50 8.510 -17.184 12.887 1.00 22.40 H new ATOM 0 HB3 ASP A 50 9.388 -15.922 12.045 1.00 22.40 H new ATOM 755 N LYS A 51 7.465 -16.950 9.951 1.00 32.20 N ATOM 756 CA LYS A 51 7.636 -17.150 8.516 1.00 24.20 C ATOM 757 C LYS A 51 6.503 -16.490 7.738 1.00 22.30 C ATOM 758 O LYS A 51 6.741 -15.760 6.778 1.00 52.50 O ATOM 759 CB LYS A 51 7.693 -18.640 8.188 1.00 31.20 C ATOM 760 CG LYS A 51 8.477 -18.960 6.924 1.00 45.10 C ATOM 761 CD LYS A 51 9.960 -18.680 7.104 1.00 1.52 C ATOM 762 CE LYS A 51 10.746 -19.010 5.845 1.00 4.42 C ATOM 763 NZ LYS A 51 11.874 -18.060 5.631 1.00 22.40 N ATOM 0 H LYS A 51 7.373 -17.813 10.487 1.00 32.20 H new ATOM 0 HA LYS A 51 8.577 -16.686 8.220 1.00 24.20 H new ATOM 0 HB2 LYS A 51 8.142 -19.171 9.027 1.00 31.20 H new ATOM 0 HB3 LYS A 51 6.676 -19.018 8.080 1.00 31.20 H new ATOM 0 HG2 LYS A 51 8.333 -20.008 6.660 1.00 45.10 H new ATOM 0 HG3 LYS A 51 8.091 -18.367 6.095 1.00 45.10 H new ATOM 0 HD2 LYS A 51 10.105 -17.630 7.360 1.00 1.52 H new ATOM 0 HD3 LYS A 51 10.344 -19.267 7.938 1.00 1.52 H new ATOM 0 HE2 LYS A 51 11.135 -20.026 5.915 1.00 4.42 H new ATOM 0 HE3 LYS A 51 10.079 -18.983 4.983 1.00 4.42 H new ATOM 0 HZ1 LYS A 51 12.385 -18.318 4.763 1.00 22.40 H new ATOM 0 HZ2 LYS A 51 11.501 -17.094 5.539 1.00 22.40 H new ATOM 0 HZ3 LYS A 51 12.524 -18.104 6.442 1.00 22.40 H new ATOM 777 N ALA A 52 5.271 -16.750 8.158 1.00 43.20 N ATOM 778 CA ALA A 52 4.101 -16.190 7.500 1.00 5.11 C ATOM 779 C ALA A 52 4.123 -14.660 7.561 1.00 32.10 C ATOM 780 O ALA A 52 3.682 -13.990 6.632 1.00 4.01 O ATOM 781 CB ALA A 52 2.826 -16.720 8.134 1.00 13.10 C ATOM 0 H ALA A 52 5.058 -17.349 8.956 1.00 43.20 H new ATOM 0 HA ALA A 52 4.124 -16.495 6.454 1.00 5.11 H new ATOM 0 HB1 ALA A 52 1.962 -16.289 7.628 1.00 13.10 H new ATOM 0 HB2 ALA A 52 2.797 -17.806 8.041 1.00 13.10 H new ATOM 0 HB3 ALA A 52 2.803 -16.446 9.189 1.00 13.10 H new ATOM 787 N LYS A 53 4.641 -14.130 8.662 1.00 4.14 N ATOM 788 CA LYS A 53 4.721 -12.680 8.845 1.00 51.30 C ATOM 789 C LYS A 53 5.671 -12.060 7.828 1.00 11.40 C ATOM 790 O LYS A 53 5.478 -10.920 7.401 1.00 54.40 O ATOM 791 CB LYS A 53 5.186 -12.350 10.265 1.00 2.10 C ATOM 792 CG LYS A 53 4.048 -12.240 11.266 1.00 4.50 C ATOM 793 CD LYS A 53 4.347 -11.200 12.333 1.00 71.30 C ATOM 794 CE LYS A 53 4.934 -11.830 13.583 1.00 23.50 C ATOM 795 NZ LYS A 53 4.783 -10.960 14.776 1.00 74.20 N ATOM 0 H LYS A 53 5.011 -14.676 9.440 1.00 4.14 H new ATOM 0 HA LYS A 53 3.727 -12.261 8.691 1.00 51.30 H new ATOM 0 HB2 LYS A 53 5.880 -13.121 10.600 1.00 2.10 H new ATOM 0 HB3 LYS A 53 5.737 -11.410 10.249 1.00 2.10 H new ATOM 0 HG2 LYS A 53 3.128 -11.975 10.745 1.00 4.50 H new ATOM 0 HG3 LYS A 53 3.880 -13.209 11.737 1.00 4.50 H new ATOM 0 HD2 LYS A 53 5.044 -10.462 11.936 1.00 71.30 H new ATOM 0 HD3 LYS A 53 3.431 -10.668 12.590 1.00 71.30 H new ATOM 0 HE2 LYS A 53 4.445 -12.786 13.769 1.00 23.50 H new ATOM 0 HE3 LYS A 53 5.991 -12.039 13.420 1.00 23.50 H new ATOM 0 HZ1 LYS A 53 5.198 -11.432 15.605 1.00 74.20 H new ATOM 0 HZ2 LYS A 53 5.271 -10.057 14.611 1.00 74.20 H new ATOM 0 HZ3 LYS A 53 3.773 -10.781 14.950 1.00 74.20 H new ATOM 809 N GLU A 54 6.697 -12.810 7.445 1.00 75.20 N ATOM 810 CA GLU A 54 7.678 -12.330 6.478 1.00 22.40 C ATOM 811 C GLU A 54 7.084 -12.290 5.073 1.00 42.20 C ATOM 812 O GLU A 54 7.287 -11.340 4.327 1.00 41.10 O ATOM 813 CB GLU A 54 8.922 -13.220 6.496 1.00 74.40 C ATOM 814 CG GLU A 54 9.950 -12.810 7.536 1.00 63.10 C ATOM 815 CD GLU A 54 10.946 -11.800 7.001 1.00 3.22 C ATOM 816 OE1 GLU A 54 10.547 -10.950 6.174 1.00 2.24 O ATOM 817 OE2 GLU A 54 12.125 -11.850 7.409 1.00 4.34 O ATOM 0 H GLU A 54 6.872 -13.754 7.789 1.00 75.20 H new ATOM 0 HA GLU A 54 7.963 -11.316 6.760 1.00 22.40 H new ATOM 0 HB2 GLU A 54 8.619 -14.250 6.684 1.00 74.40 H new ATOM 0 HB3 GLU A 54 9.387 -13.200 5.510 1.00 74.40 H new ATOM 0 HG2 GLU A 54 9.439 -12.388 8.401 1.00 63.10 H new ATOM 0 HG3 GLU A 54 10.485 -13.695 7.882 1.00 63.10 H new ATOM 824 N SER A 55 6.351 -13.340 4.720 1.00 10.10 N ATOM 825 CA SER A 55 5.728 -13.430 3.404 1.00 33.20 C ATOM 826 C SER A 55 4.754 -12.280 3.185 1.00 54.20 C ATOM 827 O SER A 55 4.829 -11.570 2.179 1.00 71.50 O ATOM 828 CB SER A 55 4.998 -14.770 3.252 1.00 43.40 C ATOM 829 OG SER A 55 5.915 -15.850 3.172 1.00 40.10 O ATOM 0 H SER A 55 6.173 -14.141 5.326 1.00 10.10 H new ATOM 0 HA SER A 55 6.514 -13.365 2.652 1.00 33.20 H new ATOM 0 HB2 SER A 55 4.329 -14.920 4.099 1.00 43.40 H new ATOM 0 HB3 SER A 55 4.378 -14.749 2.356 1.00 43.40 H new ATOM 0 HG SER A 55 5.422 -16.692 3.077 1.00 40.10 H new ATOM 835 N ILE A 56 3.840 -12.100 4.132 1.00 30.40 N ATOM 836 CA ILE A 56 2.851 -11.030 4.041 1.00 34.10 C ATOM 837 C ILE A 56 3.522 -9.664 4.033 1.00 22.50 C ATOM 838 O ILE A 56 3.230 -8.823 3.183 1.00 33.30 O ATOM 839 CB ILE A 56 1.848 -11.090 5.210 1.00 41.00 C ATOM 840 CG1 ILE A 56 1.264 -12.500 5.340 1.00 45.10 C ATOM 841 CG2 ILE A 56 0.738 -10.070 5.011 1.00 5.45 C ATOM 842 CD1 ILE A 56 1.135 -12.970 6.772 1.00 62.00 C ATOM 0 H ILE A 56 3.763 -12.678 4.969 1.00 30.40 H new ATOM 0 HA ILE A 56 2.314 -11.174 3.104 1.00 34.10 H new ATOM 0 HB ILE A 56 2.376 -10.848 6.132 1.00 41.00 H new ATOM 0 HG12 ILE A 56 0.281 -12.523 4.869 1.00 45.10 H new ATOM 0 HG13 ILE A 56 1.896 -13.199 4.792 1.00 45.10 H new ATOM 0 HG21 ILE A 56 0.039 -10.126 5.845 1.00 5.45 H new ATOM 0 HG22 ILE A 56 1.168 -9.069 4.964 1.00 5.45 H new ATOM 0 HG23 ILE A 56 0.211 -10.283 4.081 1.00 5.45 H new ATOM 0 HD11 ILE A 56 0.715 -13.976 6.788 1.00 62.00 H new ATOM 0 HD12 ILE A 56 2.119 -12.980 7.242 1.00 62.00 H new ATOM 0 HD13 ILE A 56 0.478 -12.294 7.319 1.00 62.00 H new ATOM 854 N ARG A 57 4.424 -9.447 4.985 1.00 4.24 N ATOM 855 CA ARG A 57 5.138 -8.180 5.087 1.00 52.10 C ATOM 856 C ARG A 57 5.944 -7.907 3.821 1.00 75.50 C ATOM 857 O ARG A 57 5.982 -6.779 3.329 1.00 54.30 O ATOM 858 CB ARG A 57 6.064 -8.188 6.304 1.00 32.30 C ATOM 859 CG ARG A 57 6.822 -6.885 6.501 1.00 45.00 C ATOM 860 CD ARG A 57 8.206 -7.129 7.080 1.00 0.12 C ATOM 861 NE ARG A 57 9.240 -7.131 6.048 1.00 12.10 N ATOM 862 CZ ARG A 57 10.536 -7.299 6.297 1.00 11.30 C ATOM 863 NH1 ARG A 57 10.962 -7.478 7.541 1.00 74.20 N ATOM 864 NH2 ARG A 57 11.410 -7.287 5.300 1.00 40.20 N ATOM 0 H ARG A 57 4.678 -10.132 5.697 1.00 4.24 H new ATOM 0 HA ARG A 57 4.402 -7.385 5.206 1.00 52.10 H new ATOM 0 HB2 ARG A 57 5.474 -8.394 7.197 1.00 32.30 H new ATOM 0 HB3 ARG A 57 6.780 -9.003 6.200 1.00 32.30 H new ATOM 0 HG2 ARG A 57 6.912 -6.367 5.546 1.00 45.00 H new ATOM 0 HG3 ARG A 57 6.258 -6.231 7.166 1.00 45.00 H new ATOM 0 HD2 ARG A 57 8.431 -6.358 7.817 1.00 0.12 H new ATOM 0 HD3 ARG A 57 8.216 -8.084 7.605 1.00 0.12 H new ATOM 0 HE ARG A 57 8.951 -6.996 5.079 1.00 12.10 H new ATOM 0 HH11 ARG A 57 10.295 -7.487 8.312 1.00 74.20 H new ATOM 0 HH12 ARG A 57 11.957 -7.606 7.726 1.00 74.20 H new ATOM 0 HH21 ARG A 57 11.089 -7.149 4.342 1.00 40.20 H new ATOM 0 HH22 ARG A 57 12.404 -7.416 5.491 1.00 40.20 H new ATOM 878 N ALA A 58 6.587 -8.946 3.298 1.00 71.10 N ATOM 879 CA ALA A 58 7.391 -8.818 2.088 1.00 74.30 C ATOM 880 C ALA A 58 6.560 -8.265 0.935 1.00 22.00 C ATOM 881 O ALA A 58 7.059 -7.505 0.106 1.00 34.10 O ATOM 882 CB ALA A 58 7.994 -10.160 1.711 1.00 1.33 C ATOM 0 H ALA A 58 6.567 -9.886 3.693 1.00 71.10 H new ATOM 0 HA ALA A 58 8.199 -8.115 2.290 1.00 74.30 H new ATOM 0 HB1 ALA A 58 8.591 -10.049 0.806 1.00 1.33 H new ATOM 0 HB2 ALA A 58 8.628 -10.515 2.523 1.00 1.33 H new ATOM 0 HB3 ALA A 58 7.196 -10.880 1.533 1.00 1.33 H new ATOM 888 N LYS A 59 5.289 -8.651 0.893 1.00 10.10 N ATOM 889 CA LYS A 59 4.387 -8.192 -0.156 1.00 33.20 C ATOM 890 C LYS A 59 4.019 -6.726 0.051 1.00 10.20 C ATOM 891 O LYS A 59 3.783 -5.993 -0.910 1.00 72.30 O ATOM 892 CB LYS A 59 3.120 -9.050 -0.181 1.00 40.30 C ATOM 893 CG LYS A 59 3.325 -10.410 -0.809 1.00 21.20 C ATOM 894 CD LYS A 59 2.010 -11.010 -1.281 1.00 11.20 C ATOM 895 CE LYS A 59 2.178 -11.770 -2.591 1.00 74.30 C ATOM 896 NZ LYS A 59 1.224 -12.900 -2.705 1.00 4.35 N ATOM 0 H LYS A 59 4.861 -9.280 1.573 1.00 10.10 H new ATOM 0 HA LYS A 59 4.900 -8.289 -1.113 1.00 33.20 H new ATOM 0 HB2 LYS A 59 2.759 -9.180 0.839 1.00 40.30 H new ATOM 0 HB3 LYS A 59 2.342 -8.519 -0.729 1.00 40.30 H new ATOM 0 HG2 LYS A 59 4.010 -10.323 -1.652 1.00 21.20 H new ATOM 0 HG3 LYS A 59 3.793 -11.079 -0.086 1.00 21.20 H new ATOM 0 HD2 LYS A 59 1.621 -11.683 -0.517 1.00 11.20 H new ATOM 0 HD3 LYS A 59 1.274 -10.217 -1.412 1.00 11.20 H new ATOM 0 HE2 LYS A 59 2.032 -11.087 -3.428 1.00 74.30 H new ATOM 0 HE3 LYS A 59 3.198 -12.148 -2.662 1.00 74.30 H new ATOM 0 HZ1 LYS A 59 1.372 -13.390 -3.610 1.00 4.35 H new ATOM 0 HZ2 LYS A 59 1.380 -13.566 -1.922 1.00 4.35 H new ATOM 0 HZ3 LYS A 59 0.250 -12.538 -2.663 1.00 4.35 H new ATOM 910 N CYS A 60 3.972 -6.306 1.311 1.00 4.20 N ATOM 911 CA CYS A 60 3.635 -4.927 1.644 1.00 13.40 C ATOM 912 C CYS A 60 4.793 -3.991 1.318 1.00 73.50 C ATOM 913 O CYS A 60 4.587 -2.867 0.861 1.00 70.40 O ATOM 914 CB CYS A 60 3.273 -4.812 3.126 1.00 54.30 C ATOM 915 SG CYS A 60 1.659 -5.510 3.548 1.00 51.00 S ATOM 0 H CYS A 60 4.163 -6.900 2.118 1.00 4.20 H new ATOM 0 HA CYS A 60 2.774 -4.634 1.043 1.00 13.40 H new ATOM 0 HB2 CYS A 60 4.040 -5.314 3.716 1.00 54.30 H new ATOM 0 HB3 CYS A 60 3.288 -3.760 3.412 1.00 54.30 H new ATOM 0 HG CYS A 60 1.741 -6.138 4.683 1.00 51.00 H new ATOM 921 N VAL A 61 6.013 -4.462 1.556 1.00 42.30 N ATOM 922 CA VAL A 61 7.205 -3.668 1.287 1.00 62.50 C ATOM 923 C VAL A 61 7.310 -3.321 -0.194 1.00 1.33 C ATOM 924 O VAL A 61 7.492 -2.160 -0.559 1.00 63.30 O ATOM 925 CB VAL A 61 8.485 -4.408 1.720 1.00 41.30 C ATOM 926 CG1 VAL A 61 9.689 -3.482 1.642 1.00 42.10 C ATOM 927 CG2 VAL A 61 8.327 -4.973 3.124 1.00 23.20 C ATOM 0 H VAL A 61 6.201 -5.390 1.935 1.00 42.30 H new ATOM 0 HA VAL A 61 7.111 -2.751 1.868 1.00 62.50 H new ATOM 0 HB VAL A 61 8.651 -5.240 1.036 1.00 41.30 H new ATOM 0 HG11 VAL A 61 10.584 -4.022 1.951 1.00 42.10 H new ATOM 0 HG12 VAL A 61 9.813 -3.132 0.617 1.00 42.10 H new ATOM 0 HG13 VAL A 61 9.534 -2.628 2.301 1.00 42.10 H new ATOM 0 HG21 VAL A 61 9.241 -5.492 3.412 1.00 23.20 H new ATOM 0 HG22 VAL A 61 8.135 -4.160 3.824 1.00 23.20 H new ATOM 0 HG23 VAL A 61 7.491 -5.672 3.143 1.00 23.20 H new ATOM 937 N GLN A 62 7.192 -4.337 -1.044 1.00 22.40 N ATOM 938 CA GLN A 62 7.273 -4.140 -2.486 1.00 13.50 C ATOM 939 C GLN A 62 6.122 -3.270 -2.981 1.00 64.20 C ATOM 940 O GLN A 62 6.266 -2.526 -3.951 1.00 21.10 O ATOM 941 CB GLN A 62 7.255 -5.489 -3.208 1.00 45.10 C ATOM 942 CG GLN A 62 8.134 -5.527 -4.447 1.00 62.40 C ATOM 943 CD GLN A 62 9.611 -5.443 -4.117 1.00 0.33 C ATOM 944 OE1 GLN A 62 10.292 -4.493 -4.502 1.00 15.00 O ATOM 945 NE2 GLN A 62 10.115 -6.441 -3.400 1.00 31.50 N ATOM 0 H GLN A 62 7.040 -5.304 -0.758 1.00 22.40 H new ATOM 0 HA GLN A 62 8.211 -3.630 -2.706 1.00 13.50 H new ATOM 0 HB2 GLN A 62 7.582 -6.266 -2.517 1.00 45.10 H new ATOM 0 HB3 GLN A 62 6.230 -5.726 -3.493 1.00 45.10 H new ATOM 0 HG2 GLN A 62 7.940 -6.448 -4.997 1.00 62.40 H new ATOM 0 HG3 GLN A 62 7.865 -4.700 -5.104 1.00 62.40 H new ATOM 0 HE21 GLN A 62 9.514 -7.209 -3.102 1.00 31.50 H new ATOM 0 HE22 GLN A 62 11.103 -6.439 -3.148 1.00 31.50 H new ATOM 954 N TYR A 63 4.980 -3.369 -2.308 1.00 3.54 N ATOM 955 CA TYR A 63 3.805 -2.590 -2.679 1.00 45.50 C ATOM 956 C TYR A 63 4.018 -1.109 -2.384 1.00 75.20 C ATOM 957 O TYR A 63 3.490 -0.244 -3.083 1.00 14.20 O ATOM 958 CB TYR A 63 2.572 -3.100 -1.930 1.00 62.50 C ATOM 959 CG TYR A 63 1.810 -4.173 -2.675 1.00 0.12 C ATOM 960 CD1 TYR A 63 1.536 -4.043 -4.031 1.00 10.00 C ATOM 961 CD2 TYR A 63 1.366 -5.316 -2.022 1.00 45.30 C ATOM 962 CE1 TYR A 63 0.841 -5.021 -4.715 1.00 30.20 C ATOM 963 CE2 TYR A 63 0.670 -6.299 -2.700 1.00 25.40 C ATOM 964 CZ TYR A 63 0.410 -6.147 -4.045 1.00 1.32 C ATOM 965 OH TYR A 63 -0.283 -7.124 -4.723 1.00 62.00 O ATOM 0 H TYR A 63 4.844 -3.981 -1.503 1.00 3.54 H new ATOM 0 HA TYR A 63 3.645 -2.708 -3.751 1.00 45.50 H new ATOM 0 HB2 TYR A 63 2.882 -3.493 -0.962 1.00 62.50 H new ATOM 0 HB3 TYR A 63 1.904 -2.261 -1.734 1.00 62.50 H new ATOM 0 HD1 TYR A 63 1.872 -3.163 -4.559 1.00 10.00 H new ATOM 0 HD2 TYR A 63 1.568 -5.438 -0.968 1.00 45.30 H new ATOM 0 HE1 TYR A 63 0.636 -4.905 -5.769 1.00 30.20 H new ATOM 0 HE2 TYR A 63 0.331 -7.182 -2.178 1.00 25.40 H new ATOM 0 HH TYR A 63 -0.305 -7.943 -4.185 1.00 62.00 H new ATOM 975 N LEU A 64 4.794 -0.825 -1.343 1.00 31.20 N ATOM 976 CA LEU A 64 5.078 0.552 -0.955 1.00 55.00 C ATOM 977 C LEU A 64 5.976 1.233 -1.983 1.00 63.40 C ATOM 978 O LEU A 64 5.776 2.400 -2.320 1.00 5.31 O ATOM 979 CB LEU A 64 5.741 0.589 0.423 1.00 40.00 C ATOM 980 CG LEU A 64 4.772 0.627 1.607 1.00 53.20 C ATOM 981 CD1 LEU A 64 5.532 0.525 2.920 1.00 42.10 C ATOM 982 CD2 LEU A 64 3.935 1.896 1.569 1.00 72.40 C ATOM 0 H LEU A 64 5.237 -1.529 -0.753 1.00 31.20 H new ATOM 0 HA LEU A 64 4.133 1.093 -0.910 1.00 55.00 H new ATOM 0 HB2 LEU A 64 6.381 -0.287 0.525 1.00 40.00 H new ATOM 0 HB3 LEU A 64 6.388 1.464 0.475 1.00 40.00 H new ATOM 0 HG LEU A 64 4.101 -0.229 1.532 1.00 53.20 H new ATOM 0 HD11 LEU A 64 4.828 0.554 3.751 1.00 42.10 H new ATOM 0 HD12 LEU A 64 6.087 -0.413 2.947 1.00 42.10 H new ATOM 0 HD13 LEU A 64 6.227 1.361 3.004 1.00 42.10 H new ATOM 0 HD21 LEU A 64 3.251 1.907 2.418 1.00 72.40 H new ATOM 0 HD22 LEU A 64 4.590 2.766 1.620 1.00 72.40 H new ATOM 0 HD23 LEU A 64 3.363 1.927 0.642 1.00 72.40 H new ATOM 994 N ASP A 65 6.966 0.496 -2.476 1.00 14.50 N ATOM 995 CA ASP A 65 7.895 1.029 -3.466 1.00 14.00 C ATOM 996 C ASP A 65 7.157 1.459 -4.730 1.00 12.10 C ATOM 997 O ASP A 65 7.347 2.570 -5.224 1.00 64.10 O ATOM 998 CB ASP A 65 8.958 -0.015 -3.812 1.00 15.50 C ATOM 999 CG ASP A 65 10.290 0.613 -4.172 1.00 42.40 C ATOM 1000 OD1 ASP A 65 10.297 1.577 -4.966 1.00 44.20 O ATOM 1001 OD2 ASP A 65 11.327 0.141 -3.659 1.00 34.20 O ATOM 0 H ASP A 65 7.146 -0.471 -2.206 1.00 14.50 H new ATOM 0 HA ASP A 65 8.382 1.905 -3.036 1.00 14.00 H new ATOM 0 HB2 ASP A 65 9.093 -0.686 -2.964 1.00 15.50 H new ATOM 0 HB3 ASP A 65 8.608 -0.622 -4.647 1.00 15.50 H new ATOM 1006 N ARG A 66 6.314 0.571 -5.247 1.00 74.20 N ATOM 1007 CA ARG A 66 5.547 0.859 -6.454 1.00 32.20 C ATOM 1008 C ARG A 66 4.559 1.996 -6.212 1.00 11.40 C ATOM 1009 O ARG A 66 4.290 2.798 -7.106 1.00 1.03 O ATOM 1010 CB ARG A 66 4.799 -0.392 -6.918 1.00 4.45 C ATOM 1011 CG ARG A 66 4.727 -0.531 -8.430 1.00 41.00 C ATOM 1012 CD ARG A 66 4.018 -1.812 -8.839 1.00 3.21 C ATOM 1013 NE ARG A 66 2.621 -1.575 -9.194 1.00 74.10 N ATOM 1014 CZ ARG A 66 1.768 -2.540 -9.531 1.00 14.40 C ATOM 1015 NH1 ARG A 66 2.165 -3.806 -9.559 1.00 22.00 N ATOM 1016 NH2 ARG A 66 0.514 -2.238 -9.840 1.00 30.20 N ATOM 0 H ARG A 66 6.145 -0.353 -4.850 1.00 74.20 H new ATOM 0 HA ARG A 66 6.244 1.167 -7.233 1.00 32.20 H new ATOM 0 HB2 ARG A 66 5.289 -1.273 -6.503 1.00 4.45 H new ATOM 0 HB3 ARG A 66 3.787 -0.371 -6.515 1.00 4.45 H new ATOM 0 HG2 ARG A 66 4.202 0.327 -8.851 1.00 41.00 H new ATOM 0 HG3 ARG A 66 5.735 -0.523 -8.845 1.00 41.00 H new ATOM 0 HD2 ARG A 66 4.537 -2.259 -9.687 1.00 3.21 H new ATOM 0 HD3 ARG A 66 4.067 -2.531 -8.021 1.00 3.21 H new ATOM 0 HE ARG A 66 2.279 -0.614 -9.183 1.00 74.10 H new ATOM 0 HH11 ARG A 66 3.128 -4.044 -9.322 1.00 22.00 H new ATOM 0 HH12 ARG A 66 1.507 -4.541 -9.818 1.00 22.00 H new ATOM 0 HH21 ARG A 66 0.203 -1.267 -9.819 1.00 30.20 H new ATOM 0 HH22 ARG A 66 -0.140 -2.977 -10.098 1.00 30.20 H new ATOM 1030 N ALA A 67 4.022 2.058 -4.998 1.00 43.30 N ATOM 1031 CA ALA A 67 3.065 3.097 -4.638 1.00 50.30 C ATOM 1032 C ALA A 67 3.683 4.484 -4.770 1.00 73.50 C ATOM 1033 O ALA A 67 3.132 5.359 -5.438 1.00 60.30 O ATOM 1034 CB ALA A 67 2.556 2.877 -3.221 1.00 41.20 C ATOM 0 H ALA A 67 4.233 1.401 -4.247 1.00 43.30 H new ATOM 0 HA ALA A 67 2.224 3.036 -5.329 1.00 50.30 H new ATOM 0 HB1 ALA A 67 1.842 3.660 -2.965 1.00 41.20 H new ATOM 0 HB2 ALA A 67 2.067 1.905 -3.157 1.00 41.20 H new ATOM 0 HB3 ALA A 67 3.394 2.908 -2.524 1.00 41.20 H new ATOM 1040 N GLU A 68 4.832 4.678 -4.130 1.00 32.10 N ATOM 1041 CA GLU A 68 5.526 5.960 -4.177 1.00 71.00 C ATOM 1042 C GLU A 68 5.881 6.335 -5.612 1.00 44.50 C ATOM 1043 O GLU A 68 5.928 7.515 -5.962 1.00 71.20 O ATOM 1044 CB GLU A 68 6.795 5.908 -3.323 1.00 31.10 C ATOM 1045 CG GLU A 68 7.799 4.866 -3.788 1.00 33.30 C ATOM 1046 CD GLU A 68 9.204 5.149 -3.292 1.00 32.20 C ATOM 1047 OE1 GLU A 68 9.449 4.987 -2.078 1.00 0.02 O ATOM 1048 OE2 GLU A 68 10.058 5.533 -4.118 1.00 31.30 O ATOM 0 H GLU A 68 5.302 3.964 -3.573 1.00 32.10 H new ATOM 0 HA GLU A 68 4.857 6.722 -3.777 1.00 71.00 H new ATOM 0 HB2 GLU A 68 7.271 6.889 -3.334 1.00 31.10 H new ATOM 0 HB3 GLU A 68 6.519 5.699 -2.289 1.00 31.10 H new ATOM 0 HG2 GLU A 68 7.485 3.883 -3.438 1.00 33.30 H new ATOM 0 HG3 GLU A 68 7.802 4.831 -4.877 1.00 33.30 H new ATOM 1055 N LYS A 69 6.129 5.325 -6.439 1.00 10.50 N ATOM 1056 CA LYS A 69 6.478 5.550 -7.837 1.00 14.30 C ATOM 1057 C LYS A 69 5.277 6.065 -8.622 1.00 53.20 C ATOM 1058 O LYS A 69 5.427 6.830 -9.575 1.00 10.10 O ATOM 1059 CB LYS A 69 6.999 4.257 -8.469 1.00 23.20 C ATOM 1060 CG LYS A 69 7.777 4.479 -9.755 1.00 33.30 C ATOM 1061 CD LYS A 69 8.904 3.470 -9.906 1.00 35.20 C ATOM 1062 CE LYS A 69 10.238 4.056 -9.471 1.00 60.00 C ATOM 1063 NZ LYS A 69 10.850 4.895 -10.530 1.00 20.10 N ATOM 0 H LYS A 69 6.095 4.343 -6.166 1.00 10.50 H new ATOM 0 HA LYS A 69 7.263 6.306 -7.872 1.00 14.30 H new ATOM 0 HB2 LYS A 69 7.639 3.744 -7.751 1.00 23.20 H new ATOM 0 HB3 LYS A 69 6.156 3.597 -8.674 1.00 23.20 H new ATOM 0 HG2 LYS A 69 7.102 4.402 -10.608 1.00 33.30 H new ATOM 0 HG3 LYS A 69 8.188 5.489 -9.763 1.00 33.30 H new ATOM 0 HD2 LYS A 69 8.683 2.584 -9.311 1.00 35.20 H new ATOM 0 HD3 LYS A 69 8.968 3.148 -10.945 1.00 35.20 H new ATOM 0 HE2 LYS A 69 10.094 4.655 -8.572 1.00 60.00 H new ATOM 0 HE3 LYS A 69 10.921 3.248 -9.210 1.00 60.00 H new ATOM 0 HZ1 LYS A 69 11.757 5.274 -10.191 1.00 20.10 H new ATOM 0 HZ2 LYS A 69 11.011 4.318 -11.380 1.00 20.10 H new ATOM 0 HZ3 LYS A 69 10.211 5.682 -10.762 1.00 20.10 H new ATOM 1077 N LEU A 70 4.085 5.640 -8.217 1.00 24.30 N ATOM 1078 CA LEU A 70 2.857 6.059 -8.883 1.00 72.30 C ATOM 1079 C LEU A 70 2.526 7.510 -8.551 1.00 51.40 C ATOM 1080 O LEU A 70 2.354 8.338 -9.446 1.00 14.00 O ATOM 1081 CB LEU A 70 1.694 5.152 -8.472 1.00 45.50 C ATOM 1082 CG LEU A 70 1.822 3.694 -8.917 1.00 32.10 C ATOM 1083 CD1 LEU A 70 0.860 2.812 -8.137 1.00 21.10 C ATOM 1084 CD2 LEU A 70 1.569 3.570 -10.410 1.00 1.11 C ATOM 0 H LEU A 70 3.943 5.006 -7.431 1.00 24.30 H new ATOM 0 HA LEU A 70 3.011 5.977 -9.959 1.00 72.30 H new ATOM 0 HB2 LEU A 70 1.599 5.178 -7.386 1.00 45.50 H new ATOM 0 HB3 LEU A 70 0.771 5.562 -8.882 1.00 45.50 H new ATOM 0 HG LEU A 70 2.838 3.359 -8.711 1.00 32.10 H new ATOM 0 HD11 LEU A 70 0.965 1.778 -8.467 1.00 21.10 H new ATOM 0 HD12 LEU A 70 1.087 2.878 -7.073 1.00 21.10 H new ATOM 0 HD13 LEU A 70 -0.163 3.146 -8.311 1.00 21.10 H new ATOM 0 HD21 LEU A 70 1.664 2.526 -10.710 1.00 1.11 H new ATOM 0 HD22 LEU A 70 0.564 3.923 -10.639 1.00 1.11 H new ATOM 0 HD23 LEU A 70 2.298 4.171 -10.954 1.00 1.11 H new ATOM 1096 N LYS A 71 2.438 7.812 -7.260 1.00 44.30 N ATOM 1097 CA LYS A 71 2.128 9.164 -6.809 1.00 41.40 C ATOM 1098 C LYS A 71 3.152 10.163 -7.339 1.00 34.40 C ATOM 1099 O LYS A 71 2.829 11.323 -7.593 1.00 63.30 O ATOM 1100 CB LYS A 71 2.089 9.219 -5.281 1.00 25.30 C ATOM 1101 CG LYS A 71 1.124 10.257 -4.734 1.00 23.50 C ATOM 1102 CD LYS A 71 1.470 10.641 -3.304 1.00 62.30 C ATOM 1103 CE LYS A 71 0.756 11.914 -2.881 1.00 3.33 C ATOM 1104 NZ LYS A 71 1.613 13.118 -3.061 1.00 63.40 N ATOM 0 H LYS A 71 2.577 7.138 -6.507 1.00 44.30 H new ATOM 0 HA LYS A 71 1.147 9.434 -7.200 1.00 41.40 H new ATOM 0 HB2 LYS A 71 1.810 8.238 -4.898 1.00 25.30 H new ATOM 0 HB3 LYS A 71 3.090 9.434 -4.908 1.00 25.30 H new ATOM 0 HG2 LYS A 71 1.147 11.145 -5.366 1.00 23.50 H new ATOM 0 HG3 LYS A 71 0.107 9.865 -4.771 1.00 23.50 H new ATOM 0 HD2 LYS A 71 1.196 9.828 -2.631 1.00 62.30 H new ATOM 0 HD3 LYS A 71 2.547 10.780 -3.214 1.00 62.30 H new ATOM 0 HE2 LYS A 71 -0.158 12.028 -3.464 1.00 3.33 H new ATOM 0 HE3 LYS A 71 0.459 11.833 -1.835 1.00 3.33 H new ATOM 0 HZ1 LYS A 71 1.089 13.965 -2.761 1.00 63.40 H new ATOM 0 HZ2 LYS A 71 2.473 13.021 -2.485 1.00 63.40 H new ATOM 0 HZ3 LYS A 71 1.876 13.210 -4.063 1.00 63.40 H new ATOM 1118 N ASP A 72 4.388 9.704 -7.504 1.00 4.21 N ATOM 1119 CA ASP A 72 5.460 10.556 -8.005 1.00 64.40 C ATOM 1120 C ASP A 72 5.316 10.784 -9.506 1.00 51.20 C ATOM 1121 O ASP A 72 5.706 11.831 -10.020 1.00 75.10 O ATOM 1122 CB ASP A 72 6.822 9.931 -7.701 1.00 34.10 C ATOM 1123 CG ASP A 72 7.945 10.950 -7.725 1.00 12.40 C ATOM 1124 OD1 ASP A 72 8.023 11.768 -6.785 1.00 42.40 O ATOM 1125 OD2 ASP A 72 8.745 10.928 -8.683 1.00 34.20 O ATOM 0 H ASP A 72 4.672 8.746 -7.298 1.00 4.21 H new ATOM 0 HA ASP A 72 5.390 11.520 -7.500 1.00 64.40 H new ATOM 0 HB2 ASP A 72 6.789 9.454 -6.722 1.00 34.10 H new ATOM 0 HB3 ASP A 72 7.030 9.148 -8.430 1.00 34.10 H new ATOM 1130 N TYR A 73 4.754 9.799 -10.190 1.00 50.40 N ATOM 1131 CA TYR A 73 4.559 9.893 -11.640 1.00 54.20 C ATOM 1132 C TYR A 73 3.634 11.054 -11.990 1.00 1.21 C ATOM 1133 O TYR A 73 4.006 11.951 -12.740 1.00 74.20 O ATOM 1134 CB TYR A 73 3.983 8.584 -12.180 1.00 11.30 C ATOM 1135 CG TYR A 73 3.792 8.584 -13.680 1.00 32.20 C ATOM 1136 CD1 TYR A 73 4.844 8.271 -14.530 1.00 3.25 C ATOM 1137 CD2 TYR A 73 2.561 8.895 -14.240 1.00 62.20 C ATOM 1138 CE1 TYR A 73 4.674 8.270 -15.900 1.00 22.30 C ATOM 1139 CE2 TYR A 73 2.383 8.895 -15.610 1.00 1.33 C ATOM 1140 CZ TYR A 73 3.442 8.582 -16.440 1.00 43.20 C ATOM 1141 OH TYR A 73 3.269 8.582 -17.800 1.00 4.01 O ATOM 0 H TYR A 73 4.425 8.928 -9.773 1.00 50.40 H new ATOM 0 HA TYR A 73 5.529 10.075 -12.103 1.00 54.20 H new ATOM 0 HB2 TYR A 73 4.646 7.764 -11.906 1.00 11.30 H new ATOM 0 HB3 TYR A 73 3.024 8.392 -11.699 1.00 11.30 H new ATOM 0 HD1 TYR A 73 5.810 8.025 -14.113 1.00 3.25 H new ATOM 0 HD2 TYR A 73 1.730 9.141 -13.595 1.00 62.20 H new ATOM 0 HE1 TYR A 73 5.503 8.026 -16.548 1.00 22.30 H new ATOM 0 HE2 TYR A 73 1.419 9.139 -16.031 1.00 1.33 H new ATOM 0 HH TYR A 73 2.343 8.822 -18.012 1.00 4.01 H new ATOM 1151 N LEU A 74 2.426 11.030 -11.430 1.00 53.10 N ATOM 1152 CA LEU A 74 1.448 12.082 -11.690 1.00 52.20 C ATOM 1153 C LEU A 74 1.895 13.401 -11.060 1.00 44.50 C ATOM 1154 O LEU A 74 1.591 14.476 -11.580 1.00 72.20 O ATOM 1155 CB LEU A 74 0.080 11.681 -11.130 1.00 23.10 C ATOM 1156 CG LEU A 74 -0.346 10.242 -11.430 1.00 12.40 C ATOM 1157 CD1 LEU A 74 -0.070 9.340 -10.240 1.00 70.00 C ATOM 1158 CD2 LEU A 74 -1.819 10.190 -11.810 1.00 23.30 C ATOM 0 H LEU A 74 2.103 10.298 -10.797 1.00 53.10 H new ATOM 0 HA LEU A 74 1.370 12.217 -12.769 1.00 52.20 H new ATOM 0 HB2 LEU A 74 0.091 11.823 -10.049 1.00 23.10 H new ATOM 0 HB3 LEU A 74 -0.673 12.358 -11.533 1.00 23.10 H new ATOM 0 HG LEU A 74 0.241 9.881 -12.274 1.00 12.40 H new ATOM 0 HD11 LEU A 74 -0.380 8.322 -10.475 1.00 70.00 H new ATOM 0 HD12 LEU A 74 0.996 9.351 -10.015 1.00 70.00 H new ATOM 0 HD13 LEU A 74 -0.628 9.698 -9.375 1.00 70.00 H new ATOM 0 HD21 LEU A 74 -2.104 9.159 -12.020 1.00 23.30 H new ATOM 0 HD22 LEU A 74 -2.421 10.573 -10.986 1.00 23.30 H new ATOM 0 HD23 LEU A 74 -1.988 10.801 -12.697 1.00 23.30 H new ATOM 1170 N ARG A 75 2.617 13.312 -9.956 1.00 34.00 N ATOM 1171 CA ARG A 75 3.105 14.500 -9.265 1.00 30.20 C ATOM 1172 C ARG A 75 4.016 15.321 -10.170 1.00 73.30 C ATOM 1173 O ARG A 75 3.929 16.549 -10.200 1.00 22.50 O ATOM 1174 CB ARG A 75 3.856 14.102 -7.993 1.00 53.40 C ATOM 1175 CG ARG A 75 4.366 15.289 -7.192 1.00 75.00 C ATOM 1176 CD ARG A 75 5.694 14.978 -6.520 1.00 25.40 C ATOM 1177 NE ARG A 75 5.985 15.904 -5.428 1.00 24.10 N ATOM 1178 CZ ARG A 75 5.387 15.859 -4.240 1.00 63.30 C ATOM 1179 NH1 ARG A 75 4.466 14.938 -3.986 1.00 43.20 N ATOM 1180 NH2 ARG A 75 5.711 16.738 -3.302 1.00 22.20 N ATOM 0 H ARG A 75 2.880 12.430 -9.516 1.00 34.00 H new ATOM 0 HA ARG A 75 2.244 15.112 -8.995 1.00 30.20 H new ATOM 0 HB2 ARG A 75 3.196 13.505 -7.363 1.00 53.40 H new ATOM 0 HB3 ARG A 75 4.700 13.467 -8.263 1.00 53.40 H new ATOM 0 HG2 ARG A 75 4.483 16.150 -7.850 1.00 75.00 H new ATOM 0 HG3 ARG A 75 3.630 15.563 -6.436 1.00 75.00 H new ATOM 0 HD2 ARG A 75 5.676 13.958 -6.135 1.00 25.40 H new ATOM 0 HD3 ARG A 75 6.494 15.026 -7.259 1.00 25.40 H new ATOM 0 HE ARG A 75 6.687 16.627 -5.585 1.00 24.10 H new ATOM 0 HH11 ARG A 75 4.212 14.259 -4.704 1.00 43.20 H new ATOM 0 HH12 ARG A 75 4.012 14.909 -3.073 1.00 43.20 H new ATOM 0 HH21 ARG A 75 6.418 17.448 -3.491 1.00 22.20 H new ATOM 0 HH22 ARG A 75 5.253 16.704 -2.391 1.00 22.20 H new TER 1194 ARG A 75 ATOM 1195 N GLU B 115 9.938 -4.035 9.869 1.00 55.30 N ATOM 1196 CA GLU B 115 8.525 -3.675 9.876 1.00 63.40 C ATOM 1197 C GLU B 115 8.340 -2.199 10.212 1.00 62.20 C ATOM 1198 O GLU B 115 7.400 -1.558 9.744 1.00 53.00 O ATOM 1199 CB GLU B 115 7.763 -4.539 10.882 1.00 4.44 C ATOM 1200 CG GLU B 115 6.304 -4.757 10.515 1.00 51.40 C ATOM 1201 CD GLU B 115 5.400 -4.824 11.730 1.00 61.00 C ATOM 1202 OE1 GLU B 115 5.380 -3.848 12.509 1.00 25.20 O ATOM 1203 OE2 GLU B 115 4.712 -5.852 11.903 1.00 24.20 O ATOM 0 HA GLU B 115 8.125 -3.853 8.878 1.00 63.40 H new ATOM 0 HB2 GLU B 115 8.257 -5.507 10.964 1.00 4.44 H new ATOM 0 HB3 GLU B 115 7.816 -4.070 11.864 1.00 4.44 H new ATOM 0 HG2 GLU B 115 5.972 -3.948 9.864 1.00 51.40 H new ATOM 0 HG3 GLU B 115 6.211 -5.682 9.946 1.00 51.40 H new ATOM 1210 N ASP B 116 9.245 -1.666 11.027 1.00 70.00 N ATOM 1211 CA ASP B 116 9.181 -0.265 11.427 1.00 42.30 C ATOM 1212 C ASP B 116 9.662 0.644 10.300 1.00 4.32 C ATOM 1213 O ASP B 116 9.054 1.678 10.021 1.00 43.00 O ATOM 1214 CB ASP B 116 10.026 -0.032 12.681 1.00 42.30 C ATOM 1215 CG ASP B 116 11.479 -0.414 12.479 1.00 35.50 C ATOM 1216 OD1 ASP B 116 12.209 0.356 11.820 1.00 51.20 O ATOM 1217 OD2 ASP B 116 11.886 -1.483 12.979 1.00 41.30 O ATOM 0 H ASP B 116 10.030 -2.183 11.423 1.00 70.00 H new ATOM 0 HA ASP B 116 8.141 -0.023 11.648 1.00 42.30 H new ATOM 0 HB2 ASP B 116 9.966 1.018 12.966 1.00 42.30 H new ATOM 0 HB3 ASP B 116 9.613 -0.611 13.507 1.00 42.30 H new ATOM 1222 N GLN B 117 10.757 0.252 9.656 1.00 1.23 N ATOM 1223 CA GLN B 117 11.319 1.032 8.560 1.00 55.40 C ATOM 1224 C GLN B 117 10.315 1.170 7.420 1.00 44.20 C ATOM 1225 O GLN B 117 9.965 2.281 7.019 1.00 50.30 O ATOM 1226 CB GLN B 117 12.603 0.378 8.047 1.00 21.10 C ATOM 1227 CG GLN B 117 13.568 1.357 7.399 1.00 2.51 C ATOM 1228 CD GLN B 117 14.730 1.716 8.303 1.00 13.10 C ATOM 1229 OE1 GLN B 117 14.880 2.867 8.714 1.00 40.40 O ATOM 1230 NE2 GLN B 117 15.561 0.729 8.619 1.00 53.10 N ATOM 0 H GLN B 117 11.272 -0.601 9.874 1.00 1.23 H new ATOM 0 HA GLN B 117 11.552 2.027 8.938 1.00 55.40 H new ATOM 0 HB2 GLN B 117 13.105 -0.118 8.878 1.00 21.10 H new ATOM 0 HB3 GLN B 117 12.343 -0.395 7.324 1.00 21.10 H new ATOM 0 HG2 GLN B 117 13.952 0.925 6.475 1.00 2.51 H new ATOM 0 HG3 GLN B 117 13.030 2.265 7.127 1.00 2.51 H new ATOM 0 HE21 GLN B 117 15.399 -0.210 8.256 1.00 53.10 H new ATOM 0 HE22 GLN B 117 16.361 0.910 9.225 1.00 53.10 H new ATOM 1239 N LEU B 118 9.856 0.036 6.901 1.00 3.11 N ATOM 1240 CA LEU B 118 8.892 0.031 5.807 1.00 43.10 C ATOM 1241 C LEU B 118 7.604 0.742 6.213 1.00 41.40 C ATOM 1242 O LEU B 118 6.987 1.437 5.407 1.00 41.40 O ATOM 1243 CB LEU B 118 8.583 -1.405 5.378 1.00 60.50 C ATOM 1244 CG LEU B 118 7.814 -2.238 6.405 1.00 43.40 C ATOM 1245 CD1 LEU B 118 6.316 -2.115 6.176 1.00 62.30 C ATOM 1246 CD2 LEU B 118 8.248 -3.695 6.342 1.00 73.50 C ATOM 0 H LEU B 118 10.136 -0.891 7.220 1.00 3.11 H new ATOM 0 HA LEU B 118 9.332 0.567 4.966 1.00 43.10 H new ATOM 0 HB2 LEU B 118 8.007 -1.375 4.453 1.00 60.50 H new ATOM 0 HB3 LEU B 118 9.522 -1.911 5.153 1.00 60.50 H new ATOM 0 HG LEU B 118 8.041 -1.855 7.400 1.00 43.40 H new ATOM 0 HD11 LEU B 118 5.784 -2.714 6.915 1.00 62.30 H new ATOM 0 HD12 LEU B 118 6.018 -1.071 6.272 1.00 62.30 H new ATOM 0 HD13 LEU B 118 6.070 -2.472 5.176 1.00 62.30 H new ATOM 0 HD21 LEU B 118 7.691 -4.273 7.079 1.00 73.50 H new ATOM 0 HD22 LEU B 118 8.050 -4.091 5.346 1.00 73.50 H new ATOM 0 HD23 LEU B 118 9.314 -3.767 6.556 1.00 73.50 H new ATOM 1258 N SER B 119 7.206 0.562 7.468 1.00 55.00 N ATOM 1259 CA SER B 119 5.992 1.186 7.981 1.00 43.10 C ATOM 1260 C SER B 119 6.125 2.705 7.994 1.00 24.10 C ATOM 1261 O SER B 119 5.168 3.425 7.711 1.00 32.30 O ATOM 1262 CB SER B 119 5.689 0.677 9.392 1.00 65.30 C ATOM 1263 OG SER B 119 4.736 1.503 10.038 1.00 25.30 O ATOM 0 H SER B 119 7.706 -0.010 8.148 1.00 55.00 H new ATOM 0 HA SER B 119 5.168 0.917 7.320 1.00 43.10 H new ATOM 0 HB2 SER B 119 5.314 -0.345 9.341 1.00 65.30 H new ATOM 0 HB3 SER B 119 6.608 0.650 9.978 1.00 65.30 H new ATOM 0 HG SER B 119 4.558 1.156 10.937 1.00 25.30 H new ATOM 1269 N ARG B 120 7.320 3.186 8.323 1.00 33.50 N ATOM 1270 CA ARG B 120 7.579 4.621 8.372 1.00 51.20 C ATOM 1271 C ARG B 120 7.350 5.261 7.007 1.00 11.20 C ATOM 1272 O ARG B 120 6.749 6.331 6.905 1.00 53.30 O ATOM 1273 CB ARG B 120 9.011 4.886 8.839 1.00 3.04 C ATOM 1274 CG ARG B 120 9.153 6.141 9.685 1.00 60.10 C ATOM 1275 CD ARG B 120 9.126 5.817 11.170 1.00 22.50 C ATOM 1276 NE ARG B 120 9.155 7.024 11.993 1.00 12.20 N ATOM 1277 CZ ARG B 120 8.096 7.803 12.203 1.00 41.40 C ATOM 1278 NH1 ARG B 120 6.926 7.507 11.652 1.00 61.40 N ATOM 1279 NH2 ARG B 120 8.208 8.882 12.966 1.00 72.30 N ATOM 0 H ARG B 120 8.123 2.604 8.559 1.00 33.50 H new ATOM 0 HA ARG B 120 6.884 5.067 9.084 1.00 51.20 H new ATOM 0 HB2 ARG B 120 9.361 4.029 9.414 1.00 3.04 H new ATOM 0 HB3 ARG B 120 9.659 4.971 7.967 1.00 3.04 H new ATOM 0 HG2 ARG B 120 10.088 6.644 9.438 1.00 60.10 H new ATOM 0 HG3 ARG B 120 8.346 6.834 9.448 1.00 60.10 H new ATOM 0 HD2 ARG B 120 8.228 5.243 11.400 1.00 22.50 H new ATOM 0 HD3 ARG B 120 9.980 5.187 11.419 1.00 22.50 H new ATOM 0 HE ARG B 120 10.038 7.285 12.432 1.00 12.20 H new ATOM 0 HH11 ARG B 120 6.834 6.679 11.064 1.00 61.40 H new ATOM 0 HH12 ARG B 120 6.118 8.108 11.817 1.00 61.40 H new ATOM 0 HH21 ARG B 120 9.105 9.115 13.392 1.00 72.30 H new ATOM 0 HH22 ARG B 120 7.397 9.479 13.127 1.00 72.30 H new ATOM 1293 N ARG B 121 7.833 4.600 5.960 1.00 61.20 N ATOM 1294 CA ARG B 121 7.681 5.105 4.601 1.00 34.40 C ATOM 1295 C ARG B 121 6.208 5.178 4.209 1.00 15.00 C ATOM 1296 O ARG B 121 5.792 6.082 3.485 1.00 44.40 O ATOM 1297 CB ARG B 121 8.438 4.213 3.615 1.00 71.30 C ATOM 1298 CG ARG B 121 9.896 3.996 3.987 1.00 24.00 C ATOM 1299 CD ARG B 121 10.409 2.660 3.475 1.00 53.40 C ATOM 1300 NE ARG B 121 10.851 2.740 2.085 1.00 54.50 N ATOM 1301 CZ ARG B 121 11.588 1.806 1.487 1.00 33.30 C ATOM 1302 NH1 ARG B 121 11.967 0.722 2.153 1.00 35.10 N ATOM 1303 NH2 ARG B 121 11.947 1.957 0.220 1.00 23.20 N ATOM 0 H ARG B 121 8.333 3.713 6.027 1.00 61.20 H new ATOM 0 HA ARG B 121 8.099 6.111 4.566 1.00 34.40 H new ATOM 0 HB2 ARG B 121 7.939 3.246 3.556 1.00 71.30 H new ATOM 0 HB3 ARG B 121 8.388 4.659 2.622 1.00 71.30 H new ATOM 0 HG2 ARG B 121 10.502 4.802 3.573 1.00 24.00 H new ATOM 0 HG3 ARG B 121 10.006 4.038 5.071 1.00 24.00 H new ATOM 0 HD2 ARG B 121 11.237 2.326 4.100 1.00 53.40 H new ATOM 0 HD3 ARG B 121 9.621 1.912 3.563 1.00 53.40 H new ATOM 0 HE ARG B 121 10.579 3.559 1.541 1.00 54.50 H new ATOM 0 HH11 ARG B 121 11.694 0.601 3.128 1.00 35.10 H new ATOM 0 HH12 ARG B 121 12.531 0.010 1.689 1.00 35.10 H new ATOM 0 HH21 ARG B 121 11.659 2.788 -0.296 1.00 23.20 H new ATOM 0 HH22 ARG B 121 12.512 1.242 -0.239 1.00 23.20 H new ATOM 1317 N LEU B 122 5.424 4.221 4.694 1.00 20.30 N ATOM 1318 CA LEU B 122 3.998 4.177 4.395 1.00 52.20 C ATOM 1319 C LEU B 122 3.288 5.408 4.948 1.00 1.23 C ATOM 1320 O LEU B 122 2.486 6.037 4.258 1.00 54.30 O ATOM 1321 CB LEU B 122 3.372 2.908 4.978 1.00 3.13 C ATOM 1322 CG LEU B 122 1.950 2.610 4.501 1.00 52.00 C ATOM 1323 CD1 LEU B 122 1.669 1.116 4.562 1.00 42.30 C ATOM 1324 CD2 LEU B 122 0.937 3.379 5.336 1.00 71.10 C ATOM 0 H LEU B 122 5.752 3.466 5.296 1.00 20.30 H new ATOM 0 HA LEU B 122 3.880 4.168 3.311 1.00 52.20 H new ATOM 0 HB2 LEU B 122 4.008 2.059 4.728 1.00 3.13 H new ATOM 0 HB3 LEU B 122 3.364 2.991 6.065 1.00 3.13 H new ATOM 0 HG LEU B 122 1.859 2.934 3.464 1.00 52.00 H new ATOM 0 HD11 LEU B 122 0.653 0.923 4.219 1.00 42.30 H new ATOM 0 HD12 LEU B 122 2.375 0.587 3.922 1.00 42.30 H new ATOM 0 HD13 LEU B 122 1.778 0.767 5.589 1.00 42.30 H new ATOM 0 HD21 LEU B 122 -0.070 3.156 4.983 1.00 71.10 H new ATOM 0 HD22 LEU B 122 1.029 3.085 6.381 1.00 71.10 H new ATOM 0 HD23 LEU B 122 1.125 4.449 5.242 1.00 71.10 H new ATOM 1336 N ALA B 123 3.588 5.747 6.198 1.00 32.20 N ATOM 1337 CA ALA B 123 2.979 6.903 6.843 1.00 34.20 C ATOM 1338 C ALA B 123 3.294 8.186 6.082 1.00 34.10 C ATOM 1339 O ALA B 123 2.401 8.983 5.792 1.00 34.50 O ATOM 1340 CB ALA B 123 3.454 7.013 8.285 1.00 4.15 C ATOM 0 H ALA B 123 4.249 5.237 6.784 1.00 32.20 H new ATOM 0 HA ALA B 123 1.898 6.764 6.837 1.00 34.20 H new ATOM 0 HB1 ALA B 123 2.991 7.881 8.755 1.00 4.15 H new ATOM 0 HB2 ALA B 123 3.173 6.112 8.830 1.00 4.15 H new ATOM 0 HB3 ALA B 123 4.538 7.125 8.303 1.00 4.15 H new ATOM 1346 N ALA B 124 4.569 8.380 5.760 1.00 62.20 N ATOM 1347 CA ALA B 124 5.002 9.566 5.032 1.00 44.00 C ATOM 1348 C ALA B 124 4.320 9.654 3.671 1.00 22.10 C ATOM 1349 O ALA B 124 4.071 10.745 3.160 1.00 41.10 O ATOM 1350 CB ALA B 124 6.514 9.562 4.868 1.00 42.10 C ATOM 0 H ALA B 124 5.320 7.730 5.992 1.00 62.20 H new ATOM 0 HA ALA B 124 4.713 10.443 5.611 1.00 44.00 H new ATOM 0 HB1 ALA B 124 6.823 10.454 4.322 1.00 42.10 H new ATOM 0 HB2 ALA B 124 6.987 9.556 5.850 1.00 42.10 H new ATOM 0 HB3 ALA B 124 6.817 8.674 4.314 1.00 42.10 H new ATOM 1356 N LEU B 125 4.021 8.497 3.090 1.00 44.00 N ATOM 1357 CA LEU B 125 3.368 8.443 1.787 1.00 52.10 C ATOM 1358 C LEU B 125 1.958 9.021 1.860 1.00 53.20 C ATOM 1359 O LEU B 125 1.550 9.797 0.997 1.00 70.30 O ATOM 1360 CB LEU B 125 3.314 7.000 1.280 1.00 40.40 C ATOM 1361 CG LEU B 125 2.670 6.822 -0.096 1.00 33.30 C ATOM 1362 CD1 LEU B 125 3.711 6.969 -1.195 1.00 61.40 C ATOM 1363 CD2 LEU B 125 1.982 5.468 -0.190 1.00 21.10 C ATOM 0 H LEU B 125 4.220 7.585 3.500 1.00 44.00 H new ATOM 0 HA LEU B 125 3.952 9.045 1.091 1.00 52.10 H new ATOM 0 HB2 LEU B 125 4.329 6.606 1.243 1.00 40.40 H new ATOM 0 HB3 LEU B 125 2.764 6.397 2.003 1.00 40.40 H new ATOM 0 HG LEU B 125 1.919 7.600 -0.228 1.00 33.30 H new ATOM 0 HD11 LEU B 125 3.235 6.839 -2.167 1.00 61.40 H new ATOM 0 HD12 LEU B 125 4.160 7.961 -1.140 1.00 61.40 H new ATOM 0 HD13 LEU B 125 4.485 6.213 -1.066 1.00 61.40 H new ATOM 0 HD21 LEU B 125 1.529 5.358 -1.175 1.00 21.10 H new ATOM 0 HD22 LEU B 125 2.715 4.676 -0.037 1.00 21.10 H new ATOM 0 HD23 LEU B 125 1.208 5.399 0.575 1.00 21.10 H new ATOM 1375 N ARG B 126 1.220 8.638 2.897 1.00 34.20 N ATOM 1376 CA ARG B 126 -0.144 9.119 3.083 1.00 44.20 C ATOM 1377 C ARG B 126 -0.150 10.507 3.715 1.00 23.20 C ATOM 1378 O ARG B 126 0.281 10.683 4.855 1.00 24.50 O ATOM 1379 CB ARG B 126 -0.935 8.145 3.957 1.00 51.30 C ATOM 1380 CG ARG B 126 -0.772 6.690 3.548 1.00 10.40 C ATOM 1381 CD ARG B 126 -1.502 5.754 4.499 1.00 73.50 C ATOM 1382 NE ARG B 126 -1.263 6.096 5.900 1.00 61.20 N ATOM 1383 CZ ARG B 126 -1.999 6.963 6.592 1.00 22.30 C ATOM 1384 NH1 ARG B 126 -3.021 7.588 6.019 1.00 24.40 N ATOM 1385 NH2 ARG B 126 -1.711 7.209 7.863 1.00 24.40 N ATOM 0 H ARG B 126 1.544 7.996 3.621 1.00 34.20 H new ATOM 0 HA ARG B 126 -0.617 9.184 2.103 1.00 44.20 H new ATOM 0 HB2 ARG B 126 -0.618 8.260 4.993 1.00 51.30 H new ATOM 0 HB3 ARG B 126 -1.992 8.409 3.916 1.00 51.30 H new ATOM 0 HG2 ARG B 126 -1.153 6.551 2.536 1.00 10.40 H new ATOM 0 HG3 ARG B 126 0.287 6.434 3.527 1.00 10.40 H new ATOM 0 HD2 ARG B 126 -2.572 5.793 4.294 1.00 73.50 H new ATOM 0 HD3 ARG B 126 -1.179 4.729 4.317 1.00 73.50 H new ATOM 0 HE ARG B 126 -0.484 5.642 6.377 1.00 61.20 H new ATOM 0 HH11 ARG B 126 -3.247 7.405 5.041 1.00 24.40 H new ATOM 0 HH12 ARG B 126 -3.580 8.251 6.557 1.00 24.40 H new ATOM 0 HH21 ARG B 126 -0.926 6.734 8.309 1.00 24.40 H new ATOM 0 HH22 ARG B 126 -2.274 7.873 8.394 1.00 24.40 H new ATOM 1399 N ASN B 127 -0.640 11.490 2.968 1.00 51.10 N ATOM 1400 CA ASN B 127 -0.703 12.863 3.455 1.00 44.30 C ATOM 1401 C ASN B 127 -2.109 13.207 3.934 1.00 12.50 C ATOM 1402 O ASN B 127 -2.276 14.276 4.559 1.00 44.40 O ATOM 1403 CB ASN B 127 -0.273 13.836 2.356 1.00 44.00 C ATOM 1404 CG ASN B 127 -0.186 15.267 2.852 1.00 51.10 C ATOM 1405 OD1 ASN B 127 -0.049 15.513 4.050 1.00 30.30 O ATOM 1406 ND2 ASN B 127 -0.267 16.219 1.929 1.00 32.40 N ATOM 1407 OXT ASN B 127 -3.033 12.406 3.680 1.00 38.30 O ATOM 0 H ASN B 127 -1.000 11.361 2.022 1.00 51.10 H new ATOM 0 HA ASN B 127 -0.019 12.954 4.299 1.00 44.30 H new ATOM 0 HB2 ASN B 127 0.697 13.531 1.963 1.00 44.00 H new ATOM 0 HB3 ASN B 127 -0.982 13.783 1.530 1.00 44.00 H new ATOM 0 HD21 ASN B 127 -0.216 17.200 2.203 1.00 32.40 H new ATOM 0 HD22 ASN B 127 -0.380 15.969 0.947 1.00 32.40 H new TER 1414 ASN B 127