USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 693 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 25 TYR OH : rot 73:sc= 1.86 USER MOD Set 1.2: A 73 TYR OH : rot 180:sc= 0.756 USER MOD Single : A 5 THR OG1 : rot -31:sc= 0.573 USER MOD Single : A 7 GLN : amide:sc= -0.505 X(o=-0.51,f=-0.041) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0215 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -56:sc= 0.15 USER MOD Single : A 21 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.377) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -1.82 X(o=-1.8,f=-1.9!) USER MOD Single : A 32 TYR OH : rot 150:sc= -0.658 USER MOD Single : A 33 GLN : amide:sc= -1.71! C(o=-1.7!,f=-1.9!) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -2.43! K(o=-2.4!,f=-1) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.367 X(o=-0.37,f=-0.14) USER MOD Single : A 49 SER OG : rot 180:sc= -0.724 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 84:sc= 0.318 USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 63 TYR OH : rot 180:sc= -1.45! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0209) USER MOD Single : B 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 5 -10.240 -7.850 7.677 1.00 74.20 N ATOM 2 CA THR A 5 -9.132 -7.071 7.148 1.00 53.20 C ATOM 3 C THR A 5 -8.384 -7.851 6.073 1.00 73.30 C ATOM 4 O THR A 5 -7.880 -7.273 5.109 1.00 54.20 O ATOM 5 CB THR A 5 -8.173 -6.684 8.275 1.00 53.10 C ATOM 6 OG1 THR A 5 -8.165 -7.674 9.289 1.00 30.00 O ATOM 7 CG2 THR A 5 -8.517 -5.362 8.927 1.00 72.30 C ATOM 0 HA THR A 5 -9.538 -6.165 6.697 1.00 53.20 H new ATOM 0 HB THR A 5 -7.195 -6.594 7.803 1.00 53.10 H new ATOM 0 HG1 THR A 5 -9.046 -8.100 9.337 1.00 30.00 H new ATOM 0 HG21 THR A 5 -7.798 -5.148 9.717 1.00 72.30 H new ATOM 0 HG22 THR A 5 -8.483 -4.568 8.181 1.00 72.30 H new ATOM 0 HG23 THR A 5 -9.519 -5.416 9.353 1.00 72.30 H new ATOM 15 N LEU A 6 -8.314 -9.167 6.244 1.00 24.20 N ATOM 16 CA LEU A 6 -7.627 -10.020 5.288 1.00 1.40 C ATOM 17 C LEU A 6 -8.268 -9.927 3.907 1.00 2.34 C ATOM 18 O LEU A 6 -7.603 -9.591 2.927 1.00 34.30 O ATOM 19 CB LEU A 6 -7.649 -11.480 5.768 1.00 60.30 C ATOM 20 CG LEU A 6 -6.506 -11.860 6.707 1.00 34.30 C ATOM 21 CD1 LEU A 6 -5.178 -11.850 5.966 1.00 52.10 C ATOM 22 CD2 LEU A 6 -6.462 -10.930 7.907 1.00 73.10 C ATOM 0 H LEU A 6 -8.725 -9.663 7.035 1.00 24.20 H new ATOM 0 HA LEU A 6 -6.595 -9.676 5.215 1.00 1.40 H new ATOM 0 HB2 LEU A 6 -8.595 -11.667 6.275 1.00 60.30 H new ATOM 0 HB3 LEU A 6 -7.619 -12.135 4.897 1.00 60.30 H new ATOM 0 HG LEU A 6 -6.685 -12.872 7.071 1.00 34.30 H new ATOM 0 HD11 LEU A 6 -4.376 -12.123 6.652 1.00 52.10 H new ATOM 0 HD12 LEU A 6 -5.214 -12.567 5.146 1.00 52.10 H new ATOM 0 HD13 LEU A 6 -4.991 -10.853 5.568 1.00 52.10 H new ATOM 0 HD21 LEU A 6 -5.640 -11.220 8.562 1.00 73.10 H new ATOM 0 HD22 LEU A 6 -6.312 -9.905 7.568 1.00 73.10 H new ATOM 0 HD23 LEU A 6 -7.403 -10.997 8.454 1.00 73.10 H new ATOM 34 N GLN A 7 -9.562 -10.220 3.838 1.00 43.30 N ATOM 35 CA GLN A 7 -10.290 -10.160 2.577 1.00 42.40 C ATOM 36 C GLN A 7 -10.280 -8.747 2.008 1.00 45.30 C ATOM 37 O GLN A 7 -10.030 -8.547 0.819 1.00 41.20 O ATOM 38 CB GLN A 7 -11.730 -10.630 2.777 1.00 74.30 C ATOM 39 CG GLN A 7 -12.540 -10.680 1.490 1.00 40.30 C ATOM 40 CD GLN A 7 -12.160 -11.850 0.609 1.00 22.10 C ATOM 41 OE1 GLN A 7 -12.870 -12.860 0.567 1.00 12.10 O ATOM 42 NE2 GLN A 7 -11.050 -11.730 -0.100 1.00 71.30 N ATOM 0 H GLN A 7 -10.127 -10.501 4.639 1.00 43.30 H new ATOM 0 HA GLN A 7 -9.792 -10.820 1.867 1.00 42.40 H new ATOM 0 HB2 GLN A 7 -11.720 -11.622 3.229 1.00 74.30 H new ATOM 0 HB3 GLN A 7 -12.226 -9.964 3.483 1.00 74.30 H new ATOM 0 HG2 GLN A 7 -13.600 -10.743 1.735 1.00 40.30 H new ATOM 0 HG3 GLN A 7 -12.395 -9.752 0.937 1.00 40.30 H new ATOM 0 HE21 GLN A 7 -10.493 -10.878 -0.035 1.00 71.30 H new ATOM 0 HE22 GLN A 7 -10.751 -12.490 -0.712 1.00 71.30 H new ATOM 51 N LYS A 8 -10.550 -7.768 2.864 1.00 74.20 N ATOM 52 CA LYS A 8 -10.580 -6.372 2.446 1.00 53.40 C ATOM 53 C LYS A 8 -9.193 -5.908 2.019 1.00 74.40 C ATOM 54 O LYS A 8 -9.054 -5.063 1.135 1.00 31.30 O ATOM 55 CB LYS A 8 -11.100 -5.486 3.580 1.00 54.40 C ATOM 56 CG LYS A 8 -12.610 -5.341 3.594 1.00 60.00 C ATOM 57 CD LYS A 8 -13.050 -4.073 2.883 1.00 1.32 C ATOM 58 CE LYS A 8 -14.510 -3.747 3.182 1.00 73.40 C ATOM 59 NZ LYS A 8 -14.640 -2.792 4.317 1.00 43.40 N ATOM 0 H LYS A 8 -10.751 -7.916 3.853 1.00 74.20 H new ATOM 0 HA LYS A 8 -11.254 -6.287 1.594 1.00 53.40 H new ATOM 0 HB2 LYS A 8 -10.775 -5.902 4.533 1.00 54.40 H new ATOM 0 HB3 LYS A 8 -10.649 -4.497 3.493 1.00 54.40 H new ATOM 0 HG2 LYS A 8 -13.065 -6.207 3.113 1.00 60.00 H new ATOM 0 HG3 LYS A 8 -12.966 -5.325 4.624 1.00 60.00 H new ATOM 0 HD2 LYS A 8 -12.418 -3.241 3.195 1.00 1.32 H new ATOM 0 HD3 LYS A 8 -12.914 -4.191 1.808 1.00 1.32 H new ATOM 0 HE2 LYS A 8 -14.977 -3.322 2.294 1.00 73.40 H new ATOM 0 HE3 LYS A 8 -15.047 -4.666 3.416 1.00 73.40 H new ATOM 0 HZ1 LYS A 8 -15.646 -2.594 4.491 1.00 43.40 H new ATOM 0 HZ2 LYS A 8 -14.216 -3.208 5.171 1.00 43.40 H new ATOM 0 HZ3 LYS A 8 -14.148 -1.906 4.083 1.00 43.40 H new ATOM 73 N ALA A 9 -8.167 -6.467 2.653 1.00 64.10 N ATOM 74 CA ALA A 9 -6.789 -6.112 2.339 1.00 73.10 C ATOM 75 C ALA A 9 -6.427 -6.522 0.916 1.00 32.30 C ATOM 76 O ALA A 9 -6.021 -5.690 0.104 1.00 31.40 O ATOM 77 CB ALA A 9 -5.838 -6.759 3.334 1.00 23.20 C ATOM 0 H ALA A 9 -8.265 -7.168 3.388 1.00 64.10 H new ATOM 0 HA ALA A 9 -6.693 -5.029 2.413 1.00 73.10 H new ATOM 0 HB1 ALA A 9 -4.812 -6.485 3.088 1.00 23.20 H new ATOM 0 HB2 ALA A 9 -6.074 -6.413 4.340 1.00 23.20 H new ATOM 0 HB3 ALA A 9 -5.945 -7.843 3.288 1.00 23.20 H new ATOM 83 N ILE A 10 -6.578 -7.808 0.620 1.00 2.01 N ATOM 84 CA ILE A 10 -6.267 -8.329 -0.706 1.00 34.30 C ATOM 85 C ILE A 10 -7.149 -7.682 -1.769 1.00 21.40 C ATOM 86 O ILE A 10 -6.719 -7.472 -2.903 1.00 53.10 O ATOM 87 CB ILE A 10 -6.445 -9.859 -0.767 1.00 12.40 C ATOM 88 CG1 ILE A 10 -5.695 -10.530 0.386 1.00 74.30 C ATOM 89 CG2 ILE A 10 -5.962 -10.390 -2.106 1.00 31.50 C ATOM 90 CD1 ILE A 10 -6.480 -11.630 1.053 1.00 5.35 C ATOM 0 H ILE A 10 -6.914 -8.509 1.280 1.00 2.01 H new ATOM 0 HA ILE A 10 -5.223 -8.086 -0.905 1.00 34.30 H new ATOM 0 HB ILE A 10 -7.505 -10.094 -0.666 1.00 12.40 H new ATOM 0 HG12 ILE A 10 -4.758 -10.940 0.010 1.00 74.30 H new ATOM 0 HG13 ILE A 10 -5.437 -9.776 1.130 1.00 74.30 H new ATOM 0 HG21 ILE A 10 -6.093 -11.472 -2.137 1.00 31.50 H new ATOM 0 HG22 ILE A 10 -6.539 -9.931 -2.909 1.00 31.50 H new ATOM 0 HG23 ILE A 10 -4.907 -10.148 -2.234 1.00 31.50 H new ATOM 0 HD11 ILE A 10 -5.888 -12.061 1.860 1.00 5.35 H new ATOM 0 HD12 ILE A 10 -7.405 -11.222 1.459 1.00 5.35 H new ATOM 0 HD13 ILE A 10 -6.715 -12.404 0.322 1.00 5.35 H new ATOM 102 N ASP A 11 -8.385 -7.368 -1.394 1.00 63.10 N ATOM 103 CA ASP A 11 -9.328 -6.745 -2.315 1.00 54.00 C ATOM 104 C ASP A 11 -8.798 -5.404 -2.812 1.00 45.50 C ATOM 105 O ASP A 11 -8.955 -5.058 -3.983 1.00 4.20 O ATOM 106 CB ASP A 11 -10.680 -6.550 -1.635 1.00 71.10 C ATOM 107 CG ASP A 11 -11.830 -6.601 -2.619 1.00 43.20 C ATOM 108 OD1 ASP A 11 -11.660 -6.128 -3.762 1.00 45.20 O ATOM 109 OD2 ASP A 11 -12.910 -7.115 -2.247 1.00 3.11 O ATOM 0 H ASP A 11 -8.757 -7.535 -0.459 1.00 63.10 H new ATOM 0 HA ASP A 11 -9.452 -7.406 -3.172 1.00 54.00 H new ATOM 0 HB2 ASP A 11 -10.818 -7.322 -0.878 1.00 71.10 H new ATOM 0 HB3 ASP A 11 -10.689 -5.591 -1.118 1.00 71.10 H new ATOM 114 N LEU A 12 -8.169 -4.653 -1.913 1.00 71.40 N ATOM 115 CA LEU A 12 -7.615 -3.350 -2.260 1.00 41.30 C ATOM 116 C LEU A 12 -6.420 -3.498 -3.197 1.00 51.10 C ATOM 117 O LEU A 12 -6.230 -2.693 -4.108 1.00 52.40 O ATOM 118 CB LEU A 12 -7.196 -2.598 -0.995 1.00 63.00 C ATOM 119 CG LEU A 12 -8.339 -1.924 -0.234 1.00 3.13 C ATOM 120 CD1 LEU A 12 -8.053 -1.915 1.259 1.00 30.30 C ATOM 121 CD2 LEU A 12 -8.557 -0.509 -0.746 1.00 35.40 C ATOM 0 H LEU A 12 -8.031 -4.925 -0.940 1.00 71.40 H new ATOM 0 HA LEU A 12 -8.388 -2.780 -2.775 1.00 41.30 H new ATOM 0 HB2 LEU A 12 -6.696 -3.297 -0.324 1.00 63.00 H new ATOM 0 HB3 LEU A 12 -6.464 -1.838 -1.268 1.00 63.00 H new ATOM 0 HG LEU A 12 -9.251 -2.495 -0.404 1.00 3.13 H new ATOM 0 HD11 LEU A 12 -8.877 -1.432 1.784 1.00 30.30 H new ATOM 0 HD12 LEU A 12 -7.947 -2.940 1.615 1.00 30.30 H new ATOM 0 HD13 LEU A 12 -7.130 -1.367 1.449 1.00 30.30 H new ATOM 0 HD21 LEU A 12 -9.374 -0.044 -0.194 1.00 35.40 H new ATOM 0 HD22 LEU A 12 -7.646 0.073 -0.605 1.00 35.40 H new ATOM 0 HD23 LEU A 12 -8.808 -0.540 -1.806 1.00 35.40 H new ATOM 133 N VAL A 13 -5.619 -4.533 -2.966 1.00 74.00 N ATOM 134 CA VAL A 13 -4.443 -4.787 -3.789 1.00 75.30 C ATOM 135 C VAL A 13 -4.837 -5.101 -5.228 1.00 53.40 C ATOM 136 O VAL A 13 -4.305 -4.515 -6.170 1.00 45.30 O ATOM 137 CB VAL A 13 -3.607 -5.954 -3.232 1.00 4.44 C ATOM 138 CG1 VAL A 13 -2.296 -6.085 -3.990 1.00 60.10 C ATOM 139 CG2 VAL A 13 -3.354 -5.767 -1.744 1.00 2.23 C ATOM 0 H VAL A 13 -5.763 -5.209 -2.216 1.00 74.00 H new ATOM 0 HA VAL A 13 -3.842 -3.878 -3.769 1.00 75.30 H new ATOM 0 HB VAL A 13 -4.171 -6.877 -3.369 1.00 4.44 H new ATOM 0 HG11 VAL A 13 -1.720 -6.915 -3.581 1.00 60.10 H new ATOM 0 HG12 VAL A 13 -2.502 -6.271 -5.044 1.00 60.10 H new ATOM 0 HG13 VAL A 13 -1.724 -5.163 -3.890 1.00 60.10 H new ATOM 0 HG21 VAL A 13 -2.762 -6.601 -1.368 1.00 2.23 H new ATOM 0 HG22 VAL A 13 -2.812 -4.835 -1.581 1.00 2.23 H new ATOM 0 HG23 VAL A 13 -4.306 -5.730 -1.215 1.00 2.23 H new ATOM 149 N THR A 14 -5.774 -6.030 -5.390 1.00 32.00 N ATOM 150 CA THR A 14 -6.241 -6.424 -6.716 1.00 71.30 C ATOM 151 C THR A 14 -6.788 -5.222 -7.480 1.00 73.00 C ATOM 152 O THR A 14 -6.641 -5.131 -8.699 1.00 64.00 O ATOM 153 CB THR A 14 -7.319 -7.502 -6.599 1.00 71.40 C ATOM 154 OG1 THR A 14 -6.967 -8.459 -5.616 1.00 11.30 O ATOM 155 CG2 THR A 14 -7.565 -8.245 -7.895 1.00 23.30 C ATOM 0 H THR A 14 -6.225 -6.524 -4.620 1.00 32.00 H new ATOM 0 HA THR A 14 -5.392 -6.827 -7.268 1.00 71.30 H new ATOM 0 HB THR A 14 -8.230 -6.971 -6.324 1.00 71.40 H new ATOM 0 HG1 THR A 14 -7.670 -9.139 -5.555 1.00 11.30 H new ATOM 0 HG21 THR A 14 -8.341 -8.995 -7.743 1.00 23.30 H new ATOM 0 HG22 THR A 14 -7.887 -7.541 -8.663 1.00 23.30 H new ATOM 0 HG23 THR A 14 -6.645 -8.734 -8.214 1.00 23.30 H new ATOM 163 N LYS A 15 -7.418 -4.304 -6.756 1.00 60.10 N ATOM 164 CA LYS A 15 -7.987 -3.107 -7.365 1.00 35.40 C ATOM 165 C LYS A 15 -6.893 -2.119 -7.757 1.00 20.40 C ATOM 166 O LYS A 15 -7.062 -1.328 -8.685 1.00 73.10 O ATOM 167 CB LYS A 15 -8.972 -2.440 -6.404 1.00 34.50 C ATOM 168 CG LYS A 15 -10.320 -3.135 -6.336 1.00 40.30 C ATOM 169 CD LYS A 15 -11.270 -2.605 -7.395 1.00 13.10 C ATOM 170 CE LYS A 15 -12.220 -1.571 -6.819 1.00 71.30 C ATOM 171 NZ LYS A 15 -12.810 -0.706 -7.879 1.00 55.00 N ATOM 0 H LYS A 15 -7.548 -4.366 -5.746 1.00 60.10 H new ATOM 0 HA LYS A 15 -8.517 -3.408 -8.268 1.00 35.40 H new ATOM 0 HB2 LYS A 15 -8.534 -2.417 -5.406 1.00 34.50 H new ATOM 0 HB3 LYS A 15 -9.121 -1.405 -6.711 1.00 34.50 H new ATOM 0 HG2 LYS A 15 -10.185 -4.208 -6.470 1.00 40.30 H new ATOM 0 HG3 LYS A 15 -10.757 -2.990 -5.348 1.00 40.30 H new ATOM 0 HD2 LYS A 15 -10.698 -2.162 -8.210 1.00 13.10 H new ATOM 0 HD3 LYS A 15 -11.842 -3.430 -7.819 1.00 13.10 H new ATOM 0 HE2 LYS A 15 -13.019 -2.075 -6.276 1.00 71.30 H new ATOM 0 HE3 LYS A 15 -11.687 -0.950 -6.099 1.00 71.30 H new ATOM 0 HZ1 LYS A 15 -13.453 -0.014 -7.444 1.00 55.00 H new ATOM 0 HZ2 LYS A 15 -12.050 -0.205 -8.381 1.00 55.00 H new ATOM 0 HZ3 LYS A 15 -13.340 -1.295 -8.553 1.00 55.00 H new ATOM 185 N ALA A 16 -5.771 -2.169 -7.046 1.00 0.21 N ATOM 186 CA ALA A 16 -4.651 -1.277 -7.321 1.00 42.30 C ATOM 187 C ALA A 16 -3.821 -1.786 -8.494 1.00 43.00 C ATOM 188 O ALA A 16 -3.380 -1.008 -9.340 1.00 34.40 O ATOM 189 CB ALA A 16 -3.782 -1.125 -6.083 1.00 63.00 C ATOM 0 H ALA A 16 -5.614 -2.818 -6.275 1.00 0.21 H new ATOM 0 HA ALA A 16 -5.053 -0.300 -7.591 1.00 42.30 H new ATOM 0 HB1 ALA A 16 -2.950 -0.456 -6.303 1.00 63.00 H new ATOM 0 HB2 ALA A 16 -4.377 -0.709 -5.270 1.00 63.00 H new ATOM 0 HB3 ALA A 16 -3.396 -2.100 -5.788 1.00 63.00 H new ATOM 195 N THR A 17 -3.611 -3.097 -8.538 1.00 32.10 N ATOM 196 CA THR A 17 -2.833 -3.712 -9.607 1.00 44.40 C ATOM 197 C THR A 17 -3.472 -3.443 -10.960 1.00 5.30 C ATOM 198 O THR A 17 -2.787 -3.094 -11.920 1.00 34.20 O ATOM 199 CB THR A 17 -2.707 -5.221 -9.376 1.00 43.10 C ATOM 200 OG1 THR A 17 -3.411 -5.614 -8.211 1.00 62.40 O ATOM 201 CG2 THR A 17 -1.274 -5.684 -9.223 1.00 70.10 C ATOM 0 H THR A 17 -3.969 -3.755 -7.845 1.00 32.10 H new ATOM 0 HA THR A 17 -1.837 -3.270 -9.600 1.00 44.40 H new ATOM 0 HB THR A 17 -3.131 -5.684 -10.267 1.00 43.10 H new ATOM 0 HG1 THR A 17 -3.086 -5.099 -7.443 1.00 62.40 H new ATOM 0 HG21 THR A 17 -1.255 -6.762 -9.062 1.00 70.10 H new ATOM 0 HG22 THR A 17 -0.715 -5.442 -10.127 1.00 70.10 H new ATOM 0 HG23 THR A 17 -0.819 -5.182 -8.370 1.00 70.10 H new ATOM 209 N GLU A 18 -4.789 -3.608 -11.030 1.00 45.00 N ATOM 210 CA GLU A 18 -5.521 -3.382 -12.280 1.00 31.10 C ATOM 211 C GLU A 18 -5.538 -1.900 -12.640 1.00 21.20 C ATOM 212 O GLU A 18 -5.411 -1.534 -13.800 1.00 31.10 O ATOM 213 CB GLU A 18 -6.953 -3.905 -12.150 1.00 61.30 C ATOM 214 CG GLU A 18 -7.758 -3.217 -11.060 1.00 43.20 C ATOM 215 CD GLU A 18 -9.204 -3.672 -11.030 1.00 3.15 C ATOM 216 OE1 GLU A 18 -9.443 -4.895 -11.110 1.00 63.20 O ATOM 217 OE2 GLU A 18 -10.090 -2.805 -10.920 1.00 51.30 O ATOM 0 H GLU A 18 -5.372 -3.895 -10.244 1.00 45.00 H new ATOM 0 HA GLU A 18 -5.012 -3.923 -13.078 1.00 31.10 H new ATOM 0 HB2 GLU A 18 -7.465 -3.777 -13.104 1.00 61.30 H new ATOM 0 HB3 GLU A 18 -6.922 -4.975 -11.946 1.00 61.30 H new ATOM 0 HG2 GLU A 18 -7.298 -3.417 -10.092 1.00 43.20 H new ATOM 0 HG3 GLU A 18 -7.723 -2.138 -11.213 1.00 43.20 H new ATOM 224 N GLU A 19 -5.695 -1.052 -11.620 1.00 52.10 N ATOM 225 CA GLU A 19 -5.729 0.390 -11.840 1.00 55.20 C ATOM 226 C GLU A 19 -4.426 0.880 -12.460 1.00 61.20 C ATOM 227 O GLU A 19 -4.431 1.502 -13.520 1.00 41.10 O ATOM 228 CB GLU A 19 -5.977 1.115 -10.510 1.00 51.10 C ATOM 229 CG GLU A 19 -7.449 1.256 -10.160 1.00 23.20 C ATOM 230 CD GLU A 19 -8.237 1.981 -11.230 1.00 51.20 C ATOM 231 OE1 GLU A 19 -8.649 1.325 -12.210 1.00 44.30 O ATOM 232 OE2 GLU A 19 -8.442 3.205 -11.090 1.00 42.40 O ATOM 0 H GLU A 19 -5.799 -1.337 -10.646 1.00 52.10 H new ATOM 0 HA GLU A 19 -6.542 0.610 -12.532 1.00 55.20 H new ATOM 0 HB2 GLU A 19 -5.472 0.573 -9.710 1.00 51.10 H new ATOM 0 HB3 GLU A 19 -5.526 2.106 -10.557 1.00 51.10 H new ATOM 0 HG2 GLU A 19 -7.878 0.266 -10.007 1.00 23.20 H new ATOM 0 HG3 GLU A 19 -7.544 1.794 -9.217 1.00 23.20 H new ATOM 239 N ASP A 20 -3.312 0.593 -11.800 1.00 74.40 N ATOM 240 CA ASP A 20 -2.000 1.004 -12.290 1.00 43.40 C ATOM 241 C ASP A 20 -1.747 0.460 -13.690 1.00 53.00 C ATOM 242 O ASP A 20 -1.036 1.074 -14.480 1.00 12.40 O ATOM 243 CB ASP A 20 -0.904 0.522 -11.330 1.00 31.20 C ATOM 244 CG ASP A 20 0.309 1.433 -11.340 1.00 11.40 C ATOM 245 OD1 ASP A 20 0.590 2.038 -12.400 1.00 44.20 O ATOM 246 OD2 ASP A 20 0.977 1.540 -10.290 1.00 2.11 O ATOM 0 H ASP A 20 -3.289 0.076 -10.921 1.00 74.40 H new ATOM 0 HA ASP A 20 -1.979 2.093 -12.338 1.00 43.40 H new ATOM 0 HB2 ASP A 20 -1.307 0.468 -10.319 1.00 31.20 H new ATOM 0 HB3 ASP A 20 -0.600 -0.488 -11.606 1.00 31.20 H new ATOM 251 N LYS A 21 -2.334 -0.695 -13.980 1.00 64.30 N ATOM 252 CA LYS A 21 -2.172 -1.321 -15.290 1.00 0.31 C ATOM 253 C LYS A 21 -3.162 -0.745 -16.300 1.00 45.10 C ATOM 254 O LYS A 21 -2.901 -0.732 -17.500 1.00 14.30 O ATOM 255 CB LYS A 21 -2.362 -2.835 -15.180 1.00 62.20 C ATOM 256 CG LYS A 21 -1.082 -3.587 -14.860 1.00 44.40 C ATOM 257 CD LYS A 21 -1.372 -4.905 -14.160 1.00 32.30 C ATOM 258 CE LYS A 21 -0.089 -5.623 -13.770 1.00 14.20 C ATOM 259 NZ LYS A 21 -0.333 -6.683 -12.750 1.00 60.20 N ATOM 0 H LYS A 21 -2.924 -1.216 -13.331 1.00 64.30 H new ATOM 0 HA LYS A 21 -1.162 -1.111 -15.641 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -3.100 -3.045 -14.406 1.00 62.20 H new ATOM 0 HB3 LYS A 21 -2.769 -3.211 -16.119 1.00 62.20 H new ATOM 0 HG2 LYS A 21 -0.530 -3.776 -15.781 1.00 44.40 H new ATOM 0 HG3 LYS A 21 -0.444 -2.970 -14.227 1.00 44.40 H new ATOM 0 HD2 LYS A 21 -1.972 -4.721 -13.269 1.00 32.30 H new ATOM 0 HD3 LYS A 21 -1.963 -5.544 -14.816 1.00 32.30 H new ATOM 0 HE2 LYS A 21 0.361 -6.069 -14.657 1.00 14.20 H new ATOM 0 HE3 LYS A 21 0.627 -4.900 -13.378 1.00 14.20 H new ATOM 0 HZ1 LYS A 21 0.556 -6.899 -12.255 1.00 60.20 H new ATOM 0 HZ2 LYS A 21 -1.039 -6.348 -12.064 1.00 60.20 H new ATOM 0 HZ3 LYS A 21 -0.686 -7.541 -13.219 1.00 60.20 H new ATOM 273 N ALA A 22 -4.300 -0.270 -15.800 1.00 45.00 N ATOM 274 CA ALA A 22 -5.328 0.306 -16.660 1.00 53.20 C ATOM 275 C ALA A 22 -5.229 1.827 -16.700 1.00 64.00 C ATOM 276 O ALA A 22 -6.238 2.522 -16.820 1.00 33.10 O ATOM 277 CB ALA A 22 -6.709 -0.124 -16.190 1.00 22.10 C ATOM 0 H ALA A 22 -4.532 -0.273 -14.807 1.00 45.00 H new ATOM 0 HA ALA A 22 -5.167 -0.065 -17.672 1.00 53.20 H new ATOM 0 HB1 ALA A 22 -7.467 0.313 -16.840 1.00 22.10 H new ATOM 0 HB2 ALA A 22 -6.783 -1.211 -16.225 1.00 22.10 H new ATOM 0 HB3 ALA A 22 -6.868 0.218 -15.167 1.00 22.10 H new ATOM 283 N LYS A 23 -4.006 2.339 -16.600 1.00 42.50 N ATOM 284 CA LYS A 23 -3.775 3.779 -16.620 1.00 31.10 C ATOM 285 C LYS A 23 -4.527 4.470 -15.480 1.00 42.10 C ATOM 286 O LYS A 23 -5.510 5.174 -15.710 1.00 62.30 O ATOM 287 CB LYS A 23 -4.206 4.364 -17.960 1.00 43.40 C ATOM 288 CG LYS A 23 -3.720 3.562 -19.160 1.00 73.10 C ATOM 289 CD LYS A 23 -3.558 4.439 -20.390 1.00 31.40 C ATOM 290 CE LYS A 23 -2.122 4.910 -20.550 1.00 13.20 C ATOM 291 NZ LYS A 23 -1.364 4.058 -21.510 1.00 2.32 N ATOM 0 H LYS A 23 -3.160 1.778 -16.504 1.00 42.50 H new ATOM 0 HA LYS A 23 -2.708 3.953 -16.482 1.00 31.10 H new ATOM 0 HB2 LYS A 23 -5.294 4.422 -17.989 1.00 43.40 H new ATOM 0 HB3 LYS A 23 -3.831 5.384 -18.039 1.00 43.40 H new ATOM 0 HG2 LYS A 23 -2.767 3.090 -18.921 1.00 73.10 H new ATOM 0 HG3 LYS A 23 -4.428 2.761 -19.374 1.00 73.10 H new ATOM 0 HD2 LYS A 23 -3.861 3.883 -21.277 1.00 31.40 H new ATOM 0 HD3 LYS A 23 -4.219 5.302 -20.313 1.00 31.40 H new ATOM 0 HE2 LYS A 23 -2.115 5.943 -20.897 1.00 13.20 H new ATOM 0 HE3 LYS A 23 -1.625 4.896 -19.580 1.00 13.20 H new ATOM 0 HZ1 LYS A 23 -0.389 4.411 -21.592 1.00 2.32 H new ATOM 0 HZ2 LYS A 23 -1.349 3.077 -21.166 1.00 2.32 H new ATOM 0 HZ3 LYS A 23 -1.824 4.091 -22.442 1.00 2.32 H new ATOM 305 N ASN A 24 -4.057 4.264 -14.260 1.00 21.30 N ATOM 306 CA ASN A 24 -4.684 4.868 -13.090 1.00 73.30 C ATOM 307 C ASN A 24 -3.721 4.887 -11.900 1.00 24.30 C ATOM 308 O ASN A 24 -3.816 4.059 -11.000 1.00 13.20 O ATOM 309 CB ASN A 24 -5.958 4.106 -12.710 1.00 53.10 C ATOM 310 CG ASN A 24 -7.213 4.811 -13.190 1.00 61.30 C ATOM 311 OD1 ASN A 24 -7.269 6.040 -13.230 1.00 71.30 O ATOM 312 ND2 ASN A 24 -8.230 4.035 -13.550 1.00 31.30 N ATOM 0 H ASN A 24 -3.244 3.684 -14.052 1.00 21.30 H new ATOM 0 HA ASN A 24 -4.944 5.895 -13.345 1.00 73.30 H new ATOM 0 HB2 ASN A 24 -5.921 3.104 -13.137 1.00 53.10 H new ATOM 0 HB3 ASN A 24 -6.000 3.990 -11.627 1.00 53.10 H new ATOM 0 HD21 ASN A 24 -9.101 4.454 -13.876 1.00 31.30 H new ATOM 0 HD22 ASN A 24 -8.140 3.020 -13.501 1.00 31.30 H new ATOM 319 N TYR A 25 -2.793 5.839 -11.920 1.00 31.10 N ATOM 320 CA TYR A 25 -1.813 5.967 -10.850 1.00 75.20 C ATOM 321 C TYR A 25 -2.447 6.570 -9.603 1.00 11.40 C ATOM 322 O TYR A 25 -2.046 6.263 -8.481 1.00 71.30 O ATOM 323 CB TYR A 25 -0.637 6.832 -11.310 1.00 30.20 C ATOM 324 CG TYR A 25 0.007 6.351 -12.590 1.00 0.24 C ATOM 325 CD1 TYR A 25 -0.522 6.694 -13.820 1.00 10.40 C ATOM 326 CD2 TYR A 25 1.144 5.553 -12.560 1.00 61.40 C ATOM 327 CE1 TYR A 25 0.064 6.256 -15.000 1.00 43.20 C ATOM 328 CE2 TYR A 25 1.736 5.111 -13.730 1.00 1.15 C ATOM 329 CZ TYR A 25 1.192 5.465 -14.940 1.00 2.32 C ATOM 330 OH TYR A 25 1.778 5.027 -16.110 1.00 2.43 O ATOM 0 H TYR A 25 -2.700 6.531 -12.664 1.00 31.10 H new ATOM 0 HA TYR A 25 -1.447 4.970 -10.603 1.00 75.20 H new ATOM 0 HB2 TYR A 25 -0.984 7.856 -11.451 1.00 30.20 H new ATOM 0 HB3 TYR A 25 0.115 6.856 -10.522 1.00 30.20 H new ATOM 0 HD1 TYR A 25 -1.406 7.313 -13.864 1.00 10.40 H new ATOM 0 HD2 TYR A 25 1.572 5.273 -11.609 1.00 61.40 H new ATOM 0 HE1 TYR A 25 -0.359 6.532 -15.955 1.00 43.20 H new ATOM 0 HE2 TYR A 25 2.620 4.492 -13.692 1.00 1.15 H new ATOM 0 HH TYR A 25 2.234 5.776 -16.548 1.00 2.43 H new ATOM 340 N GLU A 26 -3.441 7.429 -9.806 1.00 53.40 N ATOM 341 CA GLU A 26 -4.131 8.075 -8.696 1.00 62.30 C ATOM 342 C GLU A 26 -4.913 7.055 -7.875 1.00 14.40 C ATOM 343 O GLU A 26 -4.824 7.032 -6.647 1.00 14.00 O ATOM 344 CB GLU A 26 -5.076 9.160 -9.218 1.00 62.10 C ATOM 345 CG GLU A 26 -4.433 10.534 -9.308 1.00 75.20 C ATOM 346 CD GLU A 26 -5.404 11.654 -8.988 1.00 31.30 C ATOM 347 OE1 GLU A 26 -6.347 11.416 -8.204 1.00 62.40 O ATOM 348 OE2 GLU A 26 -5.222 12.768 -9.521 1.00 12.30 O ATOM 0 H GLU A 26 -3.786 7.693 -10.729 1.00 53.40 H new ATOM 0 HA GLU A 26 -3.381 8.535 -8.052 1.00 62.30 H new ATOM 0 HB2 GLU A 26 -5.437 8.872 -10.205 1.00 62.10 H new ATOM 0 HB3 GLU A 26 -5.946 9.217 -8.564 1.00 62.10 H new ATOM 0 HG2 GLU A 26 -3.589 10.582 -8.620 1.00 75.20 H new ATOM 0 HG3 GLU A 26 -4.034 10.679 -10.312 1.00 75.20 H new ATOM 355 N GLU A 27 -5.680 6.214 -8.561 1.00 34.40 N ATOM 356 CA GLU A 27 -6.478 5.191 -7.895 1.00 31.10 C ATOM 357 C GLU A 27 -5.589 4.083 -7.339 1.00 54.10 C ATOM 358 O GLU A 27 -5.782 3.624 -6.214 1.00 62.00 O ATOM 359 CB GLU A 27 -7.502 4.600 -8.867 1.00 21.10 C ATOM 360 CG GLU A 27 -8.601 3.805 -8.182 1.00 53.20 C ATOM 361 CD GLU A 27 -9.712 4.688 -7.648 1.00 64.00 C ATOM 362 OE1 GLU A 27 -10.150 5.597 -8.382 1.00 42.40 O ATOM 363 OE2 GLU A 27 -10.140 4.469 -6.495 1.00 24.10 O ATOM 0 H GLU A 27 -5.766 6.221 -9.577 1.00 34.40 H new ATOM 0 HA GLU A 27 -7.005 5.661 -7.064 1.00 31.10 H new ATOM 0 HB2 GLU A 27 -7.954 5.408 -9.442 1.00 21.10 H new ATOM 0 HB3 GLU A 27 -6.986 3.954 -9.577 1.00 21.10 H new ATOM 0 HG2 GLU A 27 -9.019 3.088 -8.888 1.00 53.20 H new ATOM 0 HG3 GLU A 27 -8.172 3.231 -7.361 1.00 53.20 H new ATOM 370 N ALA A 28 -4.614 3.658 -8.136 1.00 72.20 N ATOM 371 CA ALA A 28 -3.695 2.604 -7.723 1.00 3.30 C ATOM 372 C ALA A 28 -2.932 3.002 -6.464 1.00 61.10 C ATOM 373 O ALA A 28 -2.782 2.204 -5.539 1.00 34.40 O ATOM 374 CB ALA A 28 -2.725 2.280 -8.849 1.00 1.22 C ATOM 0 H ALA A 28 -4.440 4.027 -9.071 1.00 72.20 H new ATOM 0 HA ALA A 28 -4.281 1.714 -7.494 1.00 3.30 H new ATOM 0 HB1 ALA A 28 -2.044 1.492 -8.527 1.00 1.22 H new ATOM 0 HB2 ALA A 28 -3.282 1.944 -9.724 1.00 1.22 H new ATOM 0 HB3 ALA A 28 -2.152 3.172 -9.104 1.00 1.22 H new ATOM 380 N LEU A 29 -2.453 4.241 -6.436 1.00 42.20 N ATOM 381 CA LEU A 29 -1.706 4.746 -5.290 1.00 74.20 C ATOM 382 C LEU A 29 -2.558 4.707 -4.025 1.00 73.30 C ATOM 383 O LEU A 29 -2.119 4.218 -2.984 1.00 70.30 O ATOM 384 CB LEU A 29 -1.230 6.176 -5.555 1.00 41.00 C ATOM 385 CG LEU A 29 -0.122 6.674 -4.625 1.00 65.50 C ATOM 386 CD1 LEU A 29 0.483 7.963 -5.159 1.00 22.30 C ATOM 387 CD2 LEU A 29 -0.660 6.879 -3.217 1.00 11.40 C ATOM 0 H LEU A 29 -2.569 4.914 -7.194 1.00 42.20 H new ATOM 0 HA LEU A 29 -0.838 4.103 -5.142 1.00 74.20 H new ATOM 0 HB2 LEU A 29 -0.875 6.240 -6.584 1.00 41.00 H new ATOM 0 HB3 LEU A 29 -2.084 6.848 -5.470 1.00 41.00 H new ATOM 0 HG LEU A 29 0.662 5.917 -4.586 1.00 65.50 H new ATOM 0 HD11 LEU A 29 1.269 8.303 -4.485 1.00 22.30 H new ATOM 0 HD12 LEU A 29 0.905 7.784 -6.148 1.00 22.30 H new ATOM 0 HD13 LEU A 29 -0.291 8.727 -5.228 1.00 22.30 H new ATOM 0 HD21 LEU A 29 0.142 7.233 -2.569 1.00 11.40 H new ATOM 0 HD22 LEU A 29 -1.462 7.616 -3.238 1.00 11.40 H new ATOM 0 HD23 LEU A 29 -1.045 5.934 -2.834 1.00 11.40 H new ATOM 399 N ARG A 30 -3.777 5.226 -4.123 1.00 14.50 N ATOM 400 CA ARG A 30 -4.691 5.251 -2.987 1.00 63.10 C ATOM 401 C ARG A 30 -5.019 3.836 -2.521 1.00 64.40 C ATOM 402 O ARG A 30 -4.914 3.521 -1.336 1.00 62.40 O ATOM 403 CB ARG A 30 -5.979 5.990 -3.357 1.00 63.10 C ATOM 404 CG ARG A 30 -5.739 7.363 -3.963 1.00 31.40 C ATOM 405 CD ARG A 30 -5.853 8.461 -2.918 1.00 34.40 C ATOM 406 NE ARG A 30 -5.325 9.734 -3.402 1.00 30.10 N ATOM 407 CZ ARG A 30 -4.988 10.747 -2.607 1.00 61.10 C ATOM 408 NH1 ARG A 30 -5.123 10.640 -1.290 1.00 2.11 N ATOM 409 NH2 ARG A 30 -4.515 11.870 -3.129 1.00 65.50 N ATOM 0 H ARG A 30 -4.155 5.635 -4.977 1.00 14.50 H new ATOM 0 HA ARG A 30 -4.200 5.779 -2.170 1.00 63.10 H new ATOM 0 HB2 ARG A 30 -6.546 5.384 -4.064 1.00 63.10 H new ATOM 0 HB3 ARG A 30 -6.595 6.098 -2.464 1.00 63.10 H new ATOM 0 HG2 ARG A 30 -4.749 7.393 -4.417 1.00 31.40 H new ATOM 0 HG3 ARG A 30 -6.461 7.541 -4.760 1.00 31.40 H new ATOM 0 HD2 ARG A 30 -6.898 8.586 -2.636 1.00 34.40 H new ATOM 0 HD3 ARG A 30 -5.314 8.163 -2.019 1.00 34.40 H new ATOM 0 HE ARG A 30 -5.208 9.854 -4.408 1.00 30.10 H new ATOM 0 HH11 ARG A 30 -5.487 9.778 -0.883 1.00 2.11 H new ATOM 0 HH12 ARG A 30 -4.863 11.420 -0.686 1.00 2.11 H new ATOM 0 HH21 ARG A 30 -4.409 11.958 -4.140 1.00 65.50 H new ATOM 0 HH22 ARG A 30 -4.257 12.646 -2.520 1.00 65.50 H new ATOM 423 N LEU A 31 -5.417 2.986 -3.463 1.00 3.43 N ATOM 424 CA LEU A 31 -5.761 1.604 -3.149 1.00 10.10 C ATOM 425 C LEU A 31 -4.569 0.871 -2.541 1.00 24.20 C ATOM 426 O LEU A 31 -4.735 -0.026 -1.715 1.00 50.10 O ATOM 427 CB LEU A 31 -6.234 0.875 -4.408 1.00 11.40 C ATOM 428 CG LEU A 31 -7.646 1.235 -4.873 1.00 71.20 C ATOM 429 CD1 LEU A 31 -7.794 0.992 -6.366 1.00 4.23 C ATOM 430 CD2 LEU A 31 -8.681 0.437 -4.095 1.00 63.10 C ATOM 0 H LEU A 31 -5.509 3.230 -4.449 1.00 3.43 H new ATOM 0 HA LEU A 31 -6.570 1.615 -2.418 1.00 10.10 H new ATOM 0 HB2 LEU A 31 -5.536 1.089 -5.217 1.00 11.40 H new ATOM 0 HB3 LEU A 31 -6.191 -0.199 -4.225 1.00 11.40 H new ATOM 0 HG LEU A 31 -7.813 2.295 -4.681 1.00 71.20 H new ATOM 0 HD11 LEU A 31 -8.805 1.254 -6.679 1.00 4.23 H new ATOM 0 HD12 LEU A 31 -7.076 1.607 -6.908 1.00 4.23 H new ATOM 0 HD13 LEU A 31 -7.608 -0.060 -6.584 1.00 4.23 H new ATOM 0 HD21 LEU A 31 -9.680 0.705 -4.438 1.00 63.10 H new ATOM 0 HD22 LEU A 31 -8.516 -0.628 -4.256 1.00 63.10 H new ATOM 0 HD23 LEU A 31 -8.590 0.661 -3.032 1.00 63.10 H new ATOM 442 N TYR A 32 -3.368 1.259 -2.956 1.00 53.10 N ATOM 443 CA TYR A 32 -2.148 0.639 -2.452 1.00 74.40 C ATOM 444 C TYR A 32 -1.924 0.992 -0.985 1.00 41.30 C ATOM 445 O TYR A 32 -1.363 0.202 -0.225 1.00 22.20 O ATOM 446 CB TYR A 32 -0.944 1.082 -3.285 1.00 43.40 C ATOM 447 CG TYR A 32 -0.694 0.214 -4.498 1.00 30.30 C ATOM 448 CD1 TYR A 32 -0.731 -1.172 -4.403 1.00 54.00 C ATOM 449 CD2 TYR A 32 -0.421 0.780 -5.736 1.00 25.30 C ATOM 450 CE1 TYR A 32 -0.502 -1.968 -5.509 1.00 25.40 C ATOM 451 CE2 TYR A 32 -0.192 -0.010 -6.847 1.00 14.10 C ATOM 452 CZ TYR A 32 -0.233 -1.383 -6.728 1.00 22.10 C ATOM 453 OH TYR A 32 -0.006 -2.173 -7.832 1.00 54.40 O ATOM 0 H TYR A 32 -3.213 2.000 -3.640 1.00 53.10 H new ATOM 0 HA TYR A 32 -2.259 -0.442 -2.534 1.00 74.40 H new ATOM 0 HB2 TYR A 32 -1.097 2.111 -3.610 1.00 43.40 H new ATOM 0 HB3 TYR A 32 -0.055 1.076 -2.655 1.00 43.40 H new ATOM 0 HD1 TYR A 32 -0.942 -1.634 -3.450 1.00 54.00 H new ATOM 0 HD2 TYR A 32 -0.387 1.855 -5.833 1.00 25.30 H new ATOM 0 HE1 TYR A 32 -0.534 -3.044 -5.419 1.00 25.40 H new ATOM 0 HE2 TYR A 32 0.018 0.446 -7.803 1.00 14.10 H new ATOM 0 HH TYR A 32 -0.300 -1.700 -8.638 1.00 54.40 H new ATOM 463 N GLN A 33 -2.364 2.183 -0.594 1.00 41.00 N ATOM 464 CA GLN A 33 -2.211 2.640 0.783 1.00 72.00 C ATOM 465 C GLN A 33 -3.194 1.927 1.706 1.00 12.40 C ATOM 466 O GLN A 33 -2.811 1.409 2.755 1.00 23.30 O ATOM 467 CB GLN A 33 -2.422 4.153 0.866 1.00 20.20 C ATOM 468 CG GLN A 33 -1.282 4.960 0.267 1.00 2.04 C ATOM 469 CD GLN A 33 -1.378 6.437 0.595 1.00 73.10 C ATOM 470 OE1 GLN A 33 -0.922 6.882 1.648 1.00 1.20 O ATOM 471 NE2 GLN A 33 -1.975 7.206 -0.309 1.00 44.20 N ATOM 0 H GLN A 33 -2.829 2.849 -1.210 1.00 41.00 H new ATOM 0 HA GLN A 33 -1.198 2.402 1.108 1.00 72.00 H new ATOM 0 HB2 GLN A 33 -3.348 4.411 0.352 1.00 20.20 H new ATOM 0 HB3 GLN A 33 -2.547 4.437 1.911 1.00 20.20 H new ATOM 0 HG2 GLN A 33 -0.333 4.571 0.636 1.00 2.04 H new ATOM 0 HG3 GLN A 33 -1.280 4.831 -0.815 1.00 2.04 H new ATOM 0 HE21 GLN A 33 -2.339 6.794 -1.169 1.00 44.20 H new ATOM 0 HE22 GLN A 33 -2.070 8.208 -0.144 1.00 44.20 H new ATOM 480 N HIS A 34 -4.461 1.903 1.308 1.00 61.20 N ATOM 481 CA HIS A 34 -5.499 1.253 2.099 1.00 35.40 C ATOM 482 C HIS A 34 -5.199 -0.232 2.275 1.00 14.20 C ATOM 483 O HIS A 34 -5.370 -0.786 3.362 1.00 41.10 O ATOM 484 CB HIS A 34 -6.865 1.434 1.435 1.00 22.10 C ATOM 485 CG HIS A 34 -7.593 2.662 1.888 1.00 23.30 C ATOM 486 ND1 HIS A 34 -8.662 2.625 2.759 1.00 25.10 N ATOM 487 CD2 HIS A 34 -7.399 3.968 1.588 1.00 22.20 C ATOM 488 CE1 HIS A 34 -9.095 3.855 2.973 1.00 3.14 C ATOM 489 NE2 HIS A 34 -8.346 4.688 2.275 1.00 23.40 N ATOM 0 H HIS A 34 -4.794 2.326 0.442 1.00 61.20 H new ATOM 0 HA HIS A 34 -5.517 1.721 3.083 1.00 35.40 H new ATOM 0 HB2 HIS A 34 -6.731 1.479 0.354 1.00 22.10 H new ATOM 0 HB3 HIS A 34 -7.480 0.559 1.644 1.00 22.10 H new ATOM 0 HD2 HIS A 34 -6.641 4.369 0.931 1.00 22.20 H new ATOM 0 HE1 HIS A 34 -9.921 4.132 3.611 1.00 3.14 H new ATOM 0 HE2 HIS A 34 -8.453 5.702 2.250 1.00 23.40 H new ATOM 498 N ALA A 35 -4.751 -0.872 1.200 1.00 51.10 N ATOM 499 CA ALA A 35 -4.428 -2.293 1.236 1.00 51.10 C ATOM 500 C ALA A 35 -3.333 -2.581 2.257 1.00 21.50 C ATOM 501 O ALA A 35 -3.484 -3.451 3.115 1.00 53.40 O ATOM 502 CB ALA A 35 -4.004 -2.772 -0.145 1.00 52.30 C ATOM 0 H ALA A 35 -4.603 -0.429 0.293 1.00 51.10 H new ATOM 0 HA ALA A 35 -5.323 -2.837 1.539 1.00 51.10 H new ATOM 0 HB1 ALA A 35 -3.766 -3.835 -0.104 1.00 52.30 H new ATOM 0 HB2 ALA A 35 -4.817 -2.610 -0.852 1.00 52.30 H new ATOM 0 HB3 ALA A 35 -3.125 -2.215 -0.469 1.00 52.30 H new ATOM 508 N VAL A 36 -2.231 -1.845 2.159 1.00 14.30 N ATOM 509 CA VAL A 36 -1.110 -2.022 3.074 1.00 55.20 C ATOM 510 C VAL A 36 -1.515 -1.692 4.507 1.00 73.10 C ATOM 511 O VAL A 36 -1.099 -2.364 5.451 1.00 72.40 O ATOM 512 CB VAL A 36 0.088 -1.139 2.674 1.00 62.10 C ATOM 513 CG1 VAL A 36 1.298 -1.452 3.543 1.00 15.50 C ATOM 514 CG2 VAL A 36 0.421 -1.323 1.200 1.00 50.40 C ATOM 0 H VAL A 36 -2.090 -1.120 1.455 1.00 14.30 H new ATOM 0 HA VAL A 36 -0.814 -3.069 3.014 1.00 55.20 H new ATOM 0 HB VAL A 36 -0.186 -0.096 2.834 1.00 62.10 H new ATOM 0 HG11 VAL A 36 2.133 -0.818 3.245 1.00 15.50 H new ATOM 0 HG12 VAL A 36 1.054 -1.263 4.588 1.00 15.50 H new ATOM 0 HG13 VAL A 36 1.574 -2.499 3.419 1.00 15.50 H new ATOM 0 HG21 VAL A 36 1.269 -0.691 0.937 1.00 50.40 H new ATOM 0 HG22 VAL A 36 0.673 -2.366 1.012 1.00 50.40 H new ATOM 0 HG23 VAL A 36 -0.441 -1.043 0.595 1.00 50.40 H new ATOM 524 N GLU A 37 -2.329 -0.653 4.662 1.00 72.10 N ATOM 525 CA GLU A 37 -2.790 -0.234 5.980 1.00 2.14 C ATOM 526 C GLU A 37 -3.577 -1.349 6.661 1.00 72.20 C ATOM 527 O GLU A 37 -3.477 -1.542 7.873 1.00 45.10 O ATOM 528 CB GLU A 37 -3.658 1.021 5.865 1.00 24.30 C ATOM 529 CG GLU A 37 -2.868 2.317 5.950 1.00 35.40 C ATOM 530 CD GLU A 37 -3.574 3.377 6.772 1.00 33.30 C ATOM 531 OE1 GLU A 37 -3.381 3.398 8.006 1.00 4.03 O ATOM 532 OE2 GLU A 37 -4.320 4.187 6.182 1.00 42.20 O ATOM 0 H GLU A 37 -2.683 -0.086 3.891 1.00 72.10 H new ATOM 0 HA GLU A 37 -1.914 -0.008 6.588 1.00 2.14 H new ATOM 0 HB2 GLU A 37 -4.196 0.995 4.918 1.00 24.30 H new ATOM 0 HB3 GLU A 37 -4.407 1.009 6.657 1.00 24.30 H new ATOM 0 HG2 GLU A 37 -1.891 2.114 6.388 1.00 35.40 H new ATOM 0 HG3 GLU A 37 -2.694 2.699 4.944 1.00 35.40 H new ATOM 539 N TYR A 38 -4.359 -2.081 5.874 1.00 0.33 N ATOM 540 CA TYR A 38 -5.163 -3.177 6.402 1.00 70.00 C ATOM 541 C TYR A 38 -4.286 -4.376 6.750 1.00 33.30 C ATOM 542 O TYR A 38 -4.582 -5.124 7.681 1.00 73.20 O ATOM 543 CB TYR A 38 -6.230 -3.589 5.386 1.00 65.30 C ATOM 544 CG TYR A 38 -7.534 -2.839 5.539 1.00 60.50 C ATOM 545 CD1 TYR A 38 -7.566 -1.450 5.509 1.00 21.40 C ATOM 546 CD2 TYR A 38 -8.732 -3.519 5.714 1.00 34.00 C ATOM 547 CE1 TYR A 38 -8.755 -0.761 5.649 1.00 40.40 C ATOM 548 CE2 TYR A 38 -9.926 -2.837 5.853 1.00 12.30 C ATOM 549 CZ TYR A 38 -9.932 -1.458 5.820 1.00 12.30 C ATOM 550 OH TYR A 38 -11.110 -0.775 5.960 1.00 73.30 O ATOM 0 H TYR A 38 -4.453 -1.935 4.869 1.00 0.33 H new ATOM 0 HA TYR A 38 -5.652 -2.831 7.312 1.00 70.00 H new ATOM 0 HB2 TYR A 38 -5.843 -3.427 4.380 1.00 65.30 H new ATOM 0 HB3 TYR A 38 -6.421 -4.657 5.486 1.00 65.30 H new ATOM 0 HD1 TYR A 38 -6.646 -0.900 5.374 1.00 21.40 H new ATOM 0 HD2 TYR A 38 -8.731 -4.599 5.742 1.00 34.00 H new ATOM 0 HE1 TYR A 38 -8.762 0.319 5.625 1.00 40.40 H new ATOM 0 HE2 TYR A 38 -10.849 -3.381 5.987 1.00 12.30 H new ATOM 0 HH TYR A 38 -11.846 -1.412 6.070 1.00 73.30 H new ATOM 560 N PHE A 39 -3.206 -4.551 5.996 1.00 33.10 N ATOM 561 CA PHE A 39 -2.286 -5.659 6.225 1.00 23.20 C ATOM 562 C PHE A 39 -1.501 -5.457 7.517 1.00 34.30 C ATOM 563 O PHE A 39 -1.378 -6.372 8.330 1.00 64.20 O ATOM 564 CB PHE A 39 -1.322 -5.801 5.046 1.00 23.10 C ATOM 565 CG PHE A 39 -1.817 -6.728 3.973 1.00 10.20 C ATOM 566 CD1 PHE A 39 -2.129 -8.045 4.267 1.00 15.40 C ATOM 567 CD2 PHE A 39 -1.971 -6.281 2.670 1.00 71.30 C ATOM 568 CE1 PHE A 39 -2.585 -8.901 3.282 1.00 14.30 C ATOM 569 CE2 PHE A 39 -2.427 -7.131 1.681 1.00 23.00 C ATOM 570 CZ PHE A 39 -2.734 -8.443 1.987 1.00 74.40 C ATOM 0 H PHE A 39 -2.946 -3.940 5.221 1.00 33.10 H new ATOM 0 HA PHE A 39 -2.873 -6.573 6.317 1.00 23.20 H new ATOM 0 HB2 PHE A 39 -1.145 -4.817 4.611 1.00 23.10 H new ATOM 0 HB3 PHE A 39 -0.362 -6.164 5.414 1.00 23.10 H new ATOM 0 HD1 PHE A 39 -2.015 -8.408 5.278 1.00 15.40 H new ATOM 0 HD2 PHE A 39 -1.732 -5.257 2.425 1.00 71.30 H new ATOM 0 HE1 PHE A 39 -2.824 -9.926 3.524 1.00 14.30 H new ATOM 0 HE2 PHE A 39 -2.543 -6.770 0.670 1.00 23.00 H new ATOM 0 HZ PHE A 39 -3.090 -9.109 1.215 1.00 74.40 H new ATOM 580 N LEU A 40 -0.972 -4.251 7.699 1.00 4.12 N ATOM 581 CA LEU A 40 -0.199 -3.928 8.893 1.00 73.30 C ATOM 582 C LEU A 40 -1.046 -4.096 10.151 1.00 14.30 C ATOM 583 O LEU A 40 -0.558 -4.559 11.182 1.00 34.20 O ATOM 584 CB LEU A 40 0.333 -2.497 8.809 1.00 40.40 C ATOM 585 CG LEU A 40 1.290 -2.228 7.646 1.00 14.50 C ATOM 586 CD1 LEU A 40 1.805 -0.799 7.698 1.00 42.50 C ATOM 587 CD2 LEU A 40 2.447 -3.215 7.671 1.00 42.20 C ATOM 0 H LEU A 40 -1.064 -3.482 7.035 1.00 4.12 H new ATOM 0 HA LEU A 40 0.643 -4.618 8.949 1.00 73.30 H new ATOM 0 HB2 LEU A 40 -0.514 -1.815 8.728 1.00 40.40 H new ATOM 0 HB3 LEU A 40 0.844 -2.261 9.742 1.00 40.40 H new ATOM 0 HG LEU A 40 0.744 -2.361 6.712 1.00 14.50 H new ATOM 0 HD11 LEU A 40 2.484 -0.626 6.863 1.00 42.50 H new ATOM 0 HD12 LEU A 40 0.965 -0.107 7.632 1.00 42.50 H new ATOM 0 HD13 LEU A 40 2.335 -0.637 8.636 1.00 42.50 H new ATOM 0 HD21 LEU A 40 3.118 -3.010 6.837 1.00 42.20 H new ATOM 0 HD22 LEU A 40 2.992 -3.113 8.609 1.00 42.20 H new ATOM 0 HD23 LEU A 40 2.061 -4.231 7.584 1.00 42.20 H new ATOM 599 N HIS A 41 -2.316 -3.715 10.058 1.00 41.40 N ATOM 600 CA HIS A 41 -3.230 -3.823 11.189 1.00 54.20 C ATOM 601 C HIS A 41 -3.615 -5.278 11.441 1.00 61.40 C ATOM 602 O HIS A 41 -3.863 -5.677 12.578 1.00 74.10 O ATOM 603 CB HIS A 41 -4.487 -2.988 10.937 1.00 24.10 C ATOM 604 CG HIS A 41 -5.021 -2.325 12.168 1.00 43.40 C ATOM 605 ND1 HIS A 41 -5.984 -2.898 12.974 1.00 64.30 N ATOM 606 CD2 HIS A 41 -4.723 -1.131 12.733 1.00 64.30 C ATOM 607 CE1 HIS A 41 -6.255 -2.084 13.979 1.00 5.22 C ATOM 608 NE2 HIS A 41 -5.503 -1.006 13.856 1.00 31.30 N ATOM 0 H HIS A 41 -2.735 -3.329 9.212 1.00 41.40 H new ATOM 0 HA HIS A 41 -2.720 -3.442 12.074 1.00 54.20 H new ATOM 0 HB2 HIS A 41 -4.263 -2.225 10.191 1.00 24.10 H new ATOM 0 HB3 HIS A 41 -5.261 -3.629 10.515 1.00 24.10 H new ATOM 0 HD2 HIS A 41 -4.005 -0.411 12.368 1.00 64.30 H new ATOM 0 HE1 HIS A 41 -6.970 -2.269 14.767 1.00 5.22 H new ATOM 0 HE2 HIS A 41 -5.502 -0.209 14.492 1.00 31.30 H new ATOM 617 N ALA A 42 -3.662 -6.066 10.371 1.00 4.01 N ATOM 618 CA ALA A 42 -4.016 -7.476 10.476 1.00 13.00 C ATOM 619 C ALA A 42 -2.893 -8.277 11.126 1.00 74.10 C ATOM 620 O ALA A 42 -3.138 -9.119 11.990 1.00 61.20 O ATOM 621 CB ALA A 42 -4.343 -8.041 9.103 1.00 3.25 C ATOM 0 H ALA A 42 -3.459 -5.751 9.422 1.00 4.01 H new ATOM 0 HA ALA A 42 -4.899 -7.557 11.110 1.00 13.00 H new ATOM 0 HB1 ALA A 42 -4.606 -9.095 9.196 1.00 3.25 H new ATOM 0 HB2 ALA A 42 -5.183 -7.494 8.675 1.00 3.25 H new ATOM 0 HB3 ALA A 42 -3.475 -7.940 8.452 1.00 3.25 H new ATOM 627 N ILE A 43 -1.662 -8.008 10.705 1.00 45.00 N ATOM 628 CA ILE A 43 -0.501 -8.704 11.247 1.00 64.40 C ATOM 629 C ILE A 43 -0.127 -8.162 12.622 1.00 41.20 C ATOM 630 O ILE A 43 0.384 -8.893 13.471 1.00 73.50 O ATOM 631 CB ILE A 43 0.717 -8.579 10.311 1.00 33.30 C ATOM 632 CG1 ILE A 43 0.322 -8.930 8.875 1.00 0.23 C ATOM 633 CG2 ILE A 43 1.848 -9.477 10.790 1.00 22.40 C ATOM 634 CD1 ILE A 43 1.327 -8.466 7.842 1.00 61.10 C ATOM 0 H ILE A 43 -1.443 -7.314 9.991 1.00 45.00 H new ATOM 0 HA ILE A 43 -0.776 -9.755 11.336 1.00 64.40 H new ATOM 0 HB ILE A 43 1.067 -7.547 10.330 1.00 33.30 H new ATOM 0 HG12 ILE A 43 0.201 -10.010 8.793 1.00 0.23 H new ATOM 0 HG13 ILE A 43 -0.647 -8.483 8.654 1.00 0.23 H new ATOM 0 HG21 ILE A 43 2.701 -9.377 10.119 1.00 22.40 H new ATOM 0 HG22 ILE A 43 2.143 -9.184 11.798 1.00 22.40 H new ATOM 0 HG23 ILE A 43 1.511 -10.514 10.797 1.00 22.40 H new ATOM 0 HD11 ILE A 43 0.983 -8.748 6.847 1.00 61.10 H new ATOM 0 HD12 ILE A 43 1.430 -7.382 7.896 1.00 61.10 H new ATOM 0 HD13 ILE A 43 2.292 -8.933 8.038 1.00 61.10 H new ATOM 646 N LYS A 44 -0.385 -6.876 12.836 1.00 11.10 N ATOM 647 CA LYS A 44 -0.076 -6.235 14.109 1.00 45.00 C ATOM 648 C LYS A 44 -0.964 -6.782 15.222 1.00 4.14 C ATOM 649 O LYS A 44 -0.498 -7.030 16.335 1.00 34.10 O ATOM 650 CB LYS A 44 -0.253 -4.720 13.997 1.00 54.20 C ATOM 651 CG LYS A 44 0.087 -3.972 15.276 1.00 72.10 C ATOM 652 CD LYS A 44 0.258 -2.483 15.022 1.00 21.10 C ATOM 653 CE LYS A 44 1.148 -1.837 16.071 1.00 54.10 C ATOM 654 NZ LYS A 44 1.871 -0.652 15.533 1.00 11.40 N ATOM 0 H LYS A 44 -0.807 -6.257 12.144 1.00 11.10 H new ATOM 0 HA LYS A 44 0.963 -6.455 14.356 1.00 45.00 H new ATOM 0 HB2 LYS A 44 0.377 -4.348 13.190 1.00 54.20 H new ATOM 0 HB3 LYS A 44 -1.285 -4.502 13.722 1.00 54.20 H new ATOM 0 HG2 LYS A 44 -0.703 -4.128 16.011 1.00 72.10 H new ATOM 0 HG3 LYS A 44 1.005 -4.377 15.703 1.00 72.10 H new ATOM 0 HD2 LYS A 44 0.689 -2.329 14.033 1.00 21.10 H new ATOM 0 HD3 LYS A 44 -0.718 -1.998 15.023 1.00 21.10 H new ATOM 0 HE2 LYS A 44 0.542 -1.535 16.925 1.00 54.10 H new ATOM 0 HE3 LYS A 44 1.870 -2.568 16.435 1.00 54.10 H new ATOM 0 HZ1 LYS A 44 2.467 -0.240 16.279 1.00 11.40 H new ATOM 0 HZ2 LYS A 44 2.469 -0.944 14.734 1.00 11.40 H new ATOM 0 HZ3 LYS A 44 1.183 0.057 15.209 1.00 11.40 H new ATOM 668 N TYR A 45 -2.243 -6.966 14.916 1.00 41.30 N ATOM 669 CA TYR A 45 -3.196 -7.484 15.891 1.00 71.20 C ATOM 670 C TYR A 45 -3.071 -8.998 16.024 1.00 42.50 C ATOM 671 O TYR A 45 -3.202 -9.548 17.117 1.00 20.40 O ATOM 672 CB TYR A 45 -4.624 -7.112 15.487 1.00 23.30 C ATOM 673 CG TYR A 45 -5.092 -5.793 16.060 1.00 22.10 C ATOM 674 CD1 TYR A 45 -4.428 -4.610 15.762 1.00 21.10 C ATOM 675 CD2 TYR A 45 -6.198 -5.732 16.899 1.00 12.30 C ATOM 676 CE1 TYR A 45 -4.853 -3.403 16.285 1.00 63.00 C ATOM 677 CE2 TYR A 45 -6.629 -4.529 17.424 1.00 41.20 C ATOM 678 CZ TYR A 45 -5.954 -3.368 17.115 1.00 45.10 C ATOM 679 OH TYR A 45 -6.380 -2.168 17.636 1.00 33.40 O ATOM 0 H TYR A 45 -2.644 -6.764 14.000 1.00 41.30 H new ATOM 0 HA TYR A 45 -2.970 -7.033 16.857 1.00 71.20 H new ATOM 0 HB2 TYR A 45 -4.685 -7.068 14.400 1.00 23.30 H new ATOM 0 HB3 TYR A 45 -5.302 -7.901 15.813 1.00 23.30 H new ATOM 0 HD1 TYR A 45 -3.566 -4.633 15.112 1.00 21.10 H new ATOM 0 HD2 TYR A 45 -6.729 -6.640 17.145 1.00 12.30 H new ATOM 0 HE1 TYR A 45 -4.325 -2.492 16.045 1.00 63.00 H new ATOM 0 HE2 TYR A 45 -7.491 -4.499 18.074 1.00 41.20 H new ATOM 0 HH TYR A 45 -7.168 -2.317 18.199 1.00 33.40 H new ATOM 689 N GLU A 46 -2.817 -9.666 14.904 1.00 64.10 N ATOM 690 CA GLU A 46 -2.674 -11.110 14.895 1.00 55.00 C ATOM 691 C GLU A 46 -1.733 -11.560 13.782 1.00 63.40 C ATOM 692 O GLU A 46 -1.904 -11.180 12.622 1.00 64.30 O ATOM 693 CB GLU A 46 -4.040 -11.780 14.723 1.00 14.50 C ATOM 694 CG GLU A 46 -4.752 -12.060 16.037 1.00 41.10 C ATOM 695 CD GLU A 46 -6.221 -12.380 15.847 1.00 44.40 C ATOM 696 OE1 GLU A 46 -6.593 -12.820 14.737 1.00 43.30 O ATOM 697 OE2 GLU A 46 -6.999 -12.200 16.807 1.00 61.40 O ATOM 0 H GLU A 46 -2.706 -9.226 13.991 1.00 64.10 H new ATOM 0 HA GLU A 46 -2.246 -11.410 15.851 1.00 55.00 H new ATOM 0 HB2 GLU A 46 -4.673 -11.142 14.106 1.00 14.50 H new ATOM 0 HB3 GLU A 46 -3.910 -12.718 14.183 1.00 14.50 H new ATOM 0 HG2 GLU A 46 -4.264 -12.895 16.540 1.00 41.10 H new ATOM 0 HG3 GLU A 46 -4.654 -11.193 16.691 1.00 41.10 H new ATOM 704 N ALA A 47 -0.739 -12.370 14.142 1.00 13.00 N ATOM 705 CA ALA A 47 0.230 -12.870 13.174 1.00 23.20 C ATOM 706 C ALA A 47 0.369 -14.380 13.268 1.00 70.10 C ATOM 707 O ALA A 47 0.318 -14.950 14.358 1.00 53.30 O ATOM 708 CB ALA A 47 1.579 -12.200 13.385 1.00 51.30 C ATOM 0 H ALA A 47 -0.585 -12.693 15.097 1.00 13.00 H new ATOM 0 HA ALA A 47 -0.133 -12.627 12.175 1.00 23.20 H new ATOM 0 HB1 ALA A 47 2.293 -12.582 12.656 1.00 51.30 H new ATOM 0 HB2 ALA A 47 1.474 -11.122 13.259 1.00 51.30 H new ATOM 0 HB3 ALA A 47 1.938 -12.414 14.392 1.00 51.30 H new ATOM 714 N HIS A 48 0.546 -15.030 12.120 1.00 31.40 N ATOM 715 CA HIS A 48 0.692 -16.480 12.074 1.00 62.30 C ATOM 716 C HIS A 48 2.007 -16.910 12.713 1.00 41.20 C ATOM 717 O HIS A 48 2.016 -17.550 13.768 1.00 43.40 O ATOM 718 CB HIS A 48 0.628 -16.970 10.627 1.00 53.40 C ATOM 719 CG HIS A 48 -0.074 -18.280 10.474 1.00 40.30 C ATOM 720 ND1 HIS A 48 0.041 -19.070 9.349 1.00 13.40 N ATOM 721 CD2 HIS A 48 -0.903 -18.950 11.314 1.00 32.40 C ATOM 722 CE1 HIS A 48 -0.687 -20.160 9.502 1.00 12.10 C ATOM 723 NE2 HIS A 48 -1.269 -20.110 10.686 1.00 31.40 N ATOM 0 H HIS A 48 0.592 -14.573 11.209 1.00 31.40 H new ATOM 0 HA HIS A 48 -0.128 -16.926 12.637 1.00 62.30 H new ATOM 0 HB2 HIS A 48 0.120 -16.221 10.020 1.00 53.40 H new ATOM 0 HB3 HIS A 48 1.642 -17.062 10.237 1.00 53.40 H new ATOM 0 HD2 HIS A 48 -1.216 -18.628 12.296 1.00 32.40 H new ATOM 0 HE1 HIS A 48 -0.789 -20.958 8.781 1.00 12.10 H new ATOM 0 HE2 HIS A 48 -1.891 -20.821 11.071 1.00 31.40 H new ATOM 732 N SER A 49 3.116 -16.560 12.068 1.00 34.50 N ATOM 733 CA SER A 49 4.437 -16.920 12.574 1.00 11.30 C ATOM 734 C SER A 49 5.516 -16.050 11.933 1.00 52.10 C ATOM 735 O SER A 49 5.219 -15.160 11.136 1.00 25.40 O ATOM 736 CB SER A 49 4.728 -18.400 12.308 1.00 64.30 C ATOM 737 OG SER A 49 3.528 -19.130 12.142 1.00 2.51 O ATOM 0 H SER A 49 3.127 -16.029 11.197 1.00 34.50 H new ATOM 0 HA SER A 49 4.447 -16.748 13.650 1.00 11.30 H new ATOM 0 HB2 SER A 49 5.344 -18.498 11.414 1.00 64.30 H new ATOM 0 HB3 SER A 49 5.300 -18.817 13.137 1.00 64.30 H new ATOM 0 HG SER A 49 3.739 -20.072 11.972 1.00 2.51 H new ATOM 743 N ASP A 50 6.769 -16.320 12.285 1.00 34.00 N ATOM 744 CA ASP A 50 7.893 -15.560 11.744 1.00 64.30 C ATOM 745 C ASP A 50 7.957 -15.700 10.226 1.00 22.40 C ATOM 746 O ASP A 50 8.114 -14.710 9.513 1.00 4.05 O ATOM 747 CB ASP A 50 9.205 -16.050 12.365 1.00 45.20 C ATOM 748 CG ASP A 50 9.430 -15.480 13.754 1.00 14.10 C ATOM 749 OD1 ASP A 50 8.686 -15.870 14.679 1.00 63.40 O ATOM 750 OD2 ASP A 50 10.349 -14.650 13.917 1.00 23.10 O ATOM 0 H ASP A 50 7.032 -17.056 12.940 1.00 34.00 H new ATOM 0 HA ASP A 50 7.748 -14.508 11.991 1.00 64.30 H new ATOM 0 HB2 ASP A 50 9.196 -17.139 12.418 1.00 45.20 H new ATOM 0 HB3 ASP A 50 10.037 -15.769 11.720 1.00 45.20 H new ATOM 755 N LYS A 51 7.834 -16.930 9.738 1.00 31.20 N ATOM 756 CA LYS A 51 7.877 -17.190 8.304 1.00 45.20 C ATOM 757 C LYS A 51 6.754 -16.450 7.582 1.00 51.20 C ATOM 758 O LYS A 51 6.994 -15.720 6.619 1.00 44.00 O ATOM 759 CB LYS A 51 7.771 -18.690 8.035 1.00 62.20 C ATOM 760 CG LYS A 51 8.073 -19.070 6.596 1.00 34.30 C ATOM 761 CD LYS A 51 7.221 -20.250 6.142 1.00 42.50 C ATOM 762 CE LYS A 51 7.414 -20.540 4.662 1.00 23.20 C ATOM 763 NZ LYS A 51 8.635 -21.350 4.410 1.00 41.20 N ATOM 0 H LYS A 51 7.704 -17.762 10.314 1.00 31.20 H new ATOM 0 HA LYS A 51 8.831 -16.826 7.922 1.00 45.20 H new ATOM 0 HB2 LYS A 51 8.459 -19.219 8.694 1.00 62.20 H new ATOM 0 HB3 LYS A 51 6.766 -19.026 8.288 1.00 62.20 H new ATOM 0 HG2 LYS A 51 7.889 -18.215 5.946 1.00 34.30 H new ATOM 0 HG3 LYS A 51 9.129 -19.323 6.499 1.00 34.30 H new ATOM 0 HD2 LYS A 51 7.482 -21.134 6.724 1.00 42.50 H new ATOM 0 HD3 LYS A 51 6.170 -20.038 6.338 1.00 42.50 H new ATOM 0 HE2 LYS A 51 6.542 -21.070 4.279 1.00 23.20 H new ATOM 0 HE3 LYS A 51 7.482 -19.600 4.114 1.00 23.20 H new ATOM 0 HZ1 LYS A 51 8.730 -21.526 3.389 1.00 41.20 H new ATOM 0 HZ2 LYS A 51 9.471 -20.834 4.752 1.00 41.20 H new ATOM 0 HZ3 LYS A 51 8.559 -22.258 4.912 1.00 41.20 H new ATOM 777 N ALA A 52 5.527 -16.640 8.054 1.00 24.30 N ATOM 778 CA ALA A 52 4.366 -16.000 7.454 1.00 34.00 C ATOM 779 C ALA A 52 4.494 -14.480 7.509 1.00 43.40 C ATOM 780 O ALA A 52 4.198 -13.790 6.537 1.00 54.10 O ATOM 781 CB ALA A 52 3.092 -16.450 8.152 1.00 0.53 C ATOM 0 H ALA A 52 5.312 -17.235 8.854 1.00 24.30 H new ATOM 0 HA ALA A 52 4.315 -16.300 6.407 1.00 34.00 H new ATOM 0 HB1 ALA A 52 2.233 -15.962 7.691 1.00 0.53 H new ATOM 0 HB2 ALA A 52 2.989 -17.531 8.059 1.00 0.53 H new ATOM 0 HB3 ALA A 52 3.140 -16.180 9.207 1.00 0.53 H new ATOM 787 N LYS A 53 4.937 -13.970 8.654 1.00 75.40 N ATOM 788 CA LYS A 53 5.105 -12.530 8.837 1.00 12.20 C ATOM 789 C LYS A 53 6.098 -11.970 7.826 1.00 23.30 C ATOM 790 O LYS A 53 5.819 -10.970 7.157 1.00 33.20 O ATOM 791 CB LYS A 53 5.580 -12.230 10.259 1.00 0.14 C ATOM 792 CG LYS A 53 4.454 -12.190 11.280 1.00 21.10 C ATOM 793 CD LYS A 53 4.792 -11.270 12.444 1.00 14.20 C ATOM 794 CE LYS A 53 5.302 -12.050 13.642 1.00 64.30 C ATOM 795 NZ LYS A 53 6.133 -11.210 14.545 1.00 14.40 N ATOM 0 H LYS A 53 5.186 -14.531 9.469 1.00 75.40 H new ATOM 0 HA LYS A 53 4.140 -12.050 8.676 1.00 12.20 H new ATOM 0 HB2 LYS A 53 6.304 -12.987 10.559 1.00 0.14 H new ATOM 0 HB3 LYS A 53 6.099 -11.272 10.265 1.00 0.14 H new ATOM 0 HG2 LYS A 53 3.537 -11.849 10.799 1.00 21.10 H new ATOM 0 HG3 LYS A 53 4.263 -13.196 11.653 1.00 21.10 H new ATOM 0 HD2 LYS A 53 5.546 -10.548 12.131 1.00 14.20 H new ATOM 0 HD3 LYS A 53 3.906 -10.702 12.729 1.00 14.20 H new ATOM 0 HE2 LYS A 53 4.456 -12.452 14.199 1.00 64.30 H new ATOM 0 HE3 LYS A 53 5.890 -12.901 13.297 1.00 64.30 H new ATOM 0 HZ1 LYS A 53 6.460 -11.783 15.349 1.00 14.40 H new ATOM 0 HZ2 LYS A 53 6.955 -10.847 14.022 1.00 14.40 H new ATOM 0 HZ3 LYS A 53 5.566 -10.412 14.896 1.00 14.40 H new ATOM 809 N GLU A 54 7.257 -12.610 7.720 1.00 33.30 N ATOM 810 CA GLU A 54 8.292 -12.170 6.791 1.00 20.00 C ATOM 811 C GLU A 54 7.775 -12.170 5.355 1.00 20.30 C ATOM 812 O GLU A 54 8.220 -11.380 4.524 1.00 4.22 O ATOM 813 CB GLU A 54 9.520 -13.080 6.901 1.00 71.50 C ATOM 814 CG GLU A 54 10.838 -12.340 6.721 1.00 61.10 C ATOM 815 CD GLU A 54 11.431 -12.540 5.340 1.00 11.30 C ATOM 816 OE1 GLU A 54 11.869 -13.660 5.036 1.00 72.30 O ATOM 817 OE2 GLU A 54 11.457 -11.560 4.561 1.00 31.30 O ATOM 0 H GLU A 54 7.504 -13.436 8.266 1.00 33.30 H new ATOM 0 HA GLU A 54 8.573 -11.151 7.055 1.00 20.00 H new ATOM 0 HB2 GLU A 54 9.516 -13.568 7.876 1.00 71.50 H new ATOM 0 HB3 GLU A 54 9.448 -13.867 6.151 1.00 71.50 H new ATOM 0 HG2 GLU A 54 10.680 -11.276 6.895 1.00 61.10 H new ATOM 0 HG3 GLU A 54 11.550 -12.683 7.472 1.00 61.10 H new ATOM 824 N SER A 55 6.831 -13.060 5.072 1.00 4.11 N ATOM 825 CA SER A 55 6.253 -13.170 3.738 1.00 31.30 C ATOM 826 C SER A 55 5.180 -12.110 3.525 1.00 44.10 C ATOM 827 O SER A 55 5.185 -11.400 2.520 1.00 42.50 O ATOM 828 CB SER A 55 5.659 -14.560 3.524 1.00 3.32 C ATOM 829 OG SER A 55 5.691 -14.920 2.155 1.00 44.50 O ATOM 0 H SER A 55 6.449 -13.718 5.751 1.00 4.11 H new ATOM 0 HA SER A 55 7.050 -13.011 3.012 1.00 31.30 H new ATOM 0 HB2 SER A 55 6.216 -15.292 4.109 1.00 3.32 H new ATOM 0 HB3 SER A 55 4.631 -14.580 3.885 1.00 3.32 H new ATOM 0 HG SER A 55 5.307 -15.815 2.043 1.00 44.50 H new ATOM 835 N ILE A 56 4.261 -12.000 4.479 1.00 62.50 N ATOM 836 CA ILE A 56 3.182 -11.030 4.396 1.00 4.32 C ATOM 837 C ILE A 56 3.733 -9.610 4.336 1.00 55.00 C ATOM 838 O ILE A 56 3.204 -8.759 3.621 1.00 44.40 O ATOM 839 CB ILE A 56 2.220 -11.140 5.595 1.00 51.10 C ATOM 840 CG1 ILE A 56 1.744 -12.590 5.756 1.00 11.30 C ATOM 841 CG2 ILE A 56 1.034 -10.210 5.421 1.00 34.30 C ATOM 842 CD1 ILE A 56 1.641 -13.040 7.199 1.00 53.40 C ATOM 0 H ILE A 56 4.245 -12.575 5.321 1.00 62.50 H new ATOM 0 HA ILE A 56 2.631 -11.251 3.482 1.00 4.32 H new ATOM 0 HB ILE A 56 2.755 -10.842 6.497 1.00 51.10 H new ATOM 0 HG12 ILE A 56 0.769 -12.698 5.280 1.00 11.30 H new ATOM 0 HG13 ILE A 56 2.432 -13.250 5.227 1.00 11.30 H new ATOM 0 HG21 ILE A 56 0.369 -10.305 6.279 1.00 34.30 H new ATOM 0 HG22 ILE A 56 1.386 -9.181 5.347 1.00 34.30 H new ATOM 0 HG23 ILE A 56 0.494 -10.475 4.512 1.00 34.30 H new ATOM 0 HD11 ILE A 56 1.299 -14.074 7.234 1.00 53.40 H new ATOM 0 HD12 ILE A 56 2.619 -12.965 7.674 1.00 53.40 H new ATOM 0 HD13 ILE A 56 0.931 -12.405 7.728 1.00 53.40 H new ATOM 854 N ARG A 57 4.798 -9.360 5.090 1.00 3.11 N ATOM 855 CA ARG A 57 5.417 -8.041 5.120 1.00 13.20 C ATOM 856 C ARG A 57 6.155 -7.758 3.815 1.00 14.20 C ATOM 857 O ARG A 57 6.148 -6.631 3.320 1.00 50.30 O ATOM 858 CB ARG A 57 6.372 -7.925 6.312 1.00 51.10 C ATOM 859 CG ARG A 57 7.670 -8.703 6.150 1.00 52.40 C ATOM 860 CD ARG A 57 8.704 -8.281 7.183 1.00 72.50 C ATOM 861 NE ARG A 57 8.753 -9.198 8.321 1.00 1.23 N ATOM 862 CZ ARG A 57 7.936 -9.126 9.370 1.00 22.30 C ATOM 863 NH1 ARG A 57 7.007 -8.181 9.437 1.00 61.10 N ATOM 864 NH2 ARG A 57 8.051 -10.000 10.358 1.00 2.35 N ATOM 0 H ARG A 57 5.250 -10.052 5.687 1.00 3.11 H new ATOM 0 HA ARG A 57 4.628 -7.297 5.233 1.00 13.20 H new ATOM 0 HB2 ARG A 57 6.610 -6.873 6.472 1.00 51.10 H new ATOM 0 HB3 ARG A 57 5.861 -8.276 7.208 1.00 51.10 H new ATOM 0 HG2 ARG A 57 7.471 -9.770 6.248 1.00 52.40 H new ATOM 0 HG3 ARG A 57 8.069 -8.544 5.148 1.00 52.40 H new ATOM 0 HD2 ARG A 57 9.687 -8.235 6.713 1.00 72.50 H new ATOM 0 HD3 ARG A 57 8.472 -7.277 7.537 1.00 72.50 H new ATOM 0 HE ARG A 57 9.455 -9.937 8.311 1.00 1.23 H new ATOM 0 HH11 ARG A 57 6.914 -7.502 8.681 1.00 61.10 H new ATOM 0 HH12 ARG A 57 6.385 -8.133 10.244 1.00 61.10 H new ATOM 0 HH21 ARG A 57 8.765 -10.727 10.315 1.00 2.35 H new ATOM 0 HH22 ARG A 57 7.426 -9.946 11.162 1.00 2.35 H new ATOM 878 N ALA A 58 6.786 -8.788 3.259 1.00 30.40 N ATOM 879 CA ALA A 58 7.522 -8.647 2.009 1.00 74.00 C ATOM 880 C ALA A 58 6.614 -8.120 0.904 1.00 3.31 C ATOM 881 O ALA A 58 7.012 -7.268 0.110 1.00 53.00 O ATOM 882 CB ALA A 58 8.137 -9.978 1.603 1.00 64.00 C ATOM 0 H ALA A 58 6.802 -9.728 3.655 1.00 30.40 H new ATOM 0 HA ALA A 58 8.325 -7.926 2.164 1.00 74.00 H new ATOM 0 HB1 ALA A 58 8.683 -9.856 0.668 1.00 64.00 H new ATOM 0 HB2 ALA A 58 8.821 -10.315 2.382 1.00 64.00 H new ATOM 0 HB3 ALA A 58 7.348 -10.718 1.468 1.00 64.00 H new ATOM 888 N LYS A 59 5.387 -8.630 0.866 1.00 24.30 N ATOM 889 CA LYS A 59 4.416 -8.208 -0.135 1.00 50.40 C ATOM 890 C LYS A 59 3.946 -6.785 0.144 1.00 21.30 C ATOM 891 O LYS A 59 3.680 -6.015 -0.779 1.00 43.20 O ATOM 892 CB LYS A 59 3.219 -9.161 -0.152 1.00 13.20 C ATOM 893 CG LYS A 59 2.641 -9.387 -1.539 1.00 12.20 C ATOM 894 CD LYS A 59 2.016 -10.760 -1.663 1.00 51.10 C ATOM 895 CE LYS A 59 1.785 -11.140 -3.117 1.00 14.40 C ATOM 896 NZ LYS A 59 0.522 -11.910 -3.298 1.00 35.30 N ATOM 0 H LYS A 59 5.043 -9.336 1.517 1.00 24.30 H new ATOM 0 HA LYS A 59 4.899 -8.232 -1.112 1.00 50.40 H new ATOM 0 HB2 LYS A 59 3.523 -10.120 0.266 1.00 13.20 H new ATOM 0 HB3 LYS A 59 2.439 -8.763 0.497 1.00 13.20 H new ATOM 0 HG2 LYS A 59 1.891 -8.624 -1.750 1.00 12.20 H new ATOM 0 HG3 LYS A 59 3.428 -9.276 -2.285 1.00 12.20 H new ATOM 0 HD2 LYS A 59 2.664 -11.499 -1.192 1.00 51.10 H new ATOM 0 HD3 LYS A 59 1.067 -10.779 -1.126 1.00 51.10 H new ATOM 0 HE2 LYS A 59 1.750 -10.237 -3.727 1.00 14.40 H new ATOM 0 HE3 LYS A 59 2.626 -11.734 -3.475 1.00 14.40 H new ATOM 0 HZ1 LYS A 59 0.402 -12.149 -4.303 1.00 35.30 H new ATOM 0 HZ2 LYS A 59 0.565 -12.784 -2.737 1.00 35.30 H new ATOM 0 HZ3 LYS A 59 -0.284 -11.334 -2.981 1.00 35.30 H new ATOM 910 N CYS A 60 3.850 -6.441 1.425 1.00 34.10 N ATOM 911 CA CYS A 60 3.417 -5.108 1.827 1.00 21.40 C ATOM 912 C CYS A 60 4.480 -4.070 1.486 1.00 61.10 C ATOM 913 O CYS A 60 4.163 -2.950 1.085 1.00 22.20 O ATOM 914 CB CYS A 60 3.119 -5.076 3.327 1.00 22.50 C ATOM 915 SG CYS A 60 1.800 -6.200 3.842 1.00 72.30 S ATOM 0 H CYS A 60 4.066 -7.067 2.201 1.00 34.10 H new ATOM 0 HA CYS A 60 2.506 -4.866 1.279 1.00 21.40 H new ATOM 0 HB2 CYS A 60 4.029 -5.327 3.873 1.00 22.50 H new ATOM 0 HB3 CYS A 60 2.847 -4.059 3.611 1.00 22.50 H new ATOM 0 HG CYS A 60 2.292 -7.388 4.034 1.00 72.30 H new ATOM 921 N VAL A 61 5.744 -4.452 1.644 1.00 51.50 N ATOM 922 CA VAL A 61 6.855 -3.556 1.350 1.00 14.50 C ATOM 923 C VAL A 61 6.853 -3.148 -0.118 1.00 41.00 C ATOM 924 O VAL A 61 7.016 -1.973 -0.448 1.00 1.15 O ATOM 925 CB VAL A 61 8.209 -4.207 1.689 1.00 63.00 C ATOM 926 CG1 VAL A 61 9.338 -3.196 1.552 1.00 20.10 C ATOM 927 CG2 VAL A 61 8.182 -4.804 3.090 1.00 51.20 C ATOM 0 H VAL A 61 6.023 -5.376 1.974 1.00 51.50 H new ATOM 0 HA VAL A 61 6.722 -2.671 1.973 1.00 14.50 H new ATOM 0 HB VAL A 61 8.389 -5.015 0.980 1.00 63.00 H new ATOM 0 HG11 VAL A 61 10.287 -3.675 1.796 1.00 20.10 H new ATOM 0 HG12 VAL A 61 9.371 -2.825 0.528 1.00 20.10 H new ATOM 0 HG13 VAL A 61 9.166 -2.364 2.234 1.00 20.10 H new ATOM 0 HG21 VAL A 61 9.148 -5.259 3.310 1.00 51.20 H new ATOM 0 HG22 VAL A 61 7.977 -4.018 3.817 1.00 51.20 H new ATOM 0 HG23 VAL A 61 7.402 -5.563 3.147 1.00 51.20 H new ATOM 937 N GLN A 62 6.666 -4.127 -0.998 1.00 11.30 N ATOM 938 CA GLN A 62 6.641 -3.870 -2.433 1.00 15.10 C ATOM 939 C GLN A 62 5.483 -2.947 -2.799 1.00 11.30 C ATOM 940 O GLN A 62 5.603 -2.110 -3.694 1.00 71.10 O ATOM 941 CB GLN A 62 6.524 -5.186 -3.205 1.00 41.20 C ATOM 942 CG GLN A 62 7.298 -5.193 -4.513 1.00 43.40 C ATOM 943 CD GLN A 62 8.730 -5.661 -4.340 1.00 13.40 C ATOM 944 OE1 GLN A 62 9.469 -5.140 -3.506 1.00 34.30 O ATOM 945 NE2 GLN A 62 9.129 -6.651 -5.131 1.00 61.40 N ATOM 0 H GLN A 62 6.530 -5.105 -0.742 1.00 11.30 H new ATOM 0 HA GLN A 62 7.575 -3.378 -2.706 1.00 15.10 H new ATOM 0 HB2 GLN A 62 6.883 -6.000 -2.575 1.00 41.20 H new ATOM 0 HB3 GLN A 62 5.472 -5.384 -3.413 1.00 41.20 H new ATOM 0 HG2 GLN A 62 6.791 -5.842 -5.227 1.00 43.40 H new ATOM 0 HG3 GLN A 62 7.296 -4.189 -4.937 1.00 43.40 H new ATOM 0 HE21 GLN A 62 8.482 -7.054 -5.809 1.00 61.40 H new ATOM 0 HE22 GLN A 62 10.082 -7.008 -5.060 1.00 61.40 H new ATOM 954 N TYR A 63 4.363 -3.105 -2.100 1.00 2.03 N ATOM 955 CA TYR A 63 3.185 -2.284 -2.352 1.00 12.10 C ATOM 956 C TYR A 63 3.434 -0.836 -1.943 1.00 15.50 C ATOM 957 O TYR A 63 2.910 0.092 -2.559 1.00 74.20 O ATOM 958 CB TYR A 63 1.977 -2.840 -1.594 1.00 0.45 C ATOM 959 CG TYR A 63 1.489 -4.171 -2.122 1.00 60.30 C ATOM 960 CD1 TYR A 63 1.407 -4.411 -3.488 1.00 21.30 C ATOM 961 CD2 TYR A 63 1.110 -5.187 -1.253 1.00 43.40 C ATOM 962 CE1 TYR A 63 0.960 -5.625 -3.973 1.00 63.40 C ATOM 963 CE2 TYR A 63 0.664 -6.405 -1.731 1.00 45.30 C ATOM 964 CZ TYR A 63 0.591 -6.619 -3.091 1.00 43.30 C ATOM 965 OH TYR A 63 0.146 -7.829 -3.571 1.00 34.30 O ATOM 0 H TYR A 63 4.247 -3.793 -1.356 1.00 2.03 H new ATOM 0 HA TYR A 63 2.977 -2.310 -3.422 1.00 12.10 H new ATOM 0 HB2 TYR A 63 2.239 -2.950 -0.542 1.00 0.45 H new ATOM 0 HB3 TYR A 63 1.162 -2.118 -1.646 1.00 0.45 H new ATOM 0 HD1 TYR A 63 1.697 -3.636 -4.182 1.00 21.30 H new ATOM 0 HD2 TYR A 63 1.165 -5.022 -0.187 1.00 43.40 H new ATOM 0 HE1 TYR A 63 0.900 -5.795 -5.038 1.00 63.40 H new ATOM 0 HE2 TYR A 63 0.374 -7.185 -1.043 1.00 45.30 H new ATOM 0 HH TYR A 63 -0.072 -8.419 -2.819 1.00 34.30 H new ATOM 975 N LEU A 64 4.237 -0.652 -0.900 1.00 21.20 N ATOM 976 CA LEU A 64 4.556 0.684 -0.409 1.00 64.40 C ATOM 977 C LEU A 64 5.403 1.447 -1.422 1.00 53.30 C ATOM 978 O LEU A 64 5.270 2.662 -1.568 1.00 21.30 O ATOM 979 CB LEU A 64 5.296 0.595 0.927 1.00 31.00 C ATOM 980 CG LEU A 64 5.309 1.885 1.748 1.00 22.30 C ATOM 981 CD1 LEU A 64 6.158 2.945 1.063 1.00 44.20 C ATOM 982 CD2 LEU A 64 3.891 2.393 1.963 1.00 41.40 C ATOM 0 H LEU A 64 4.678 -1.410 -0.379 1.00 21.20 H new ATOM 0 HA LEU A 64 3.621 1.224 -0.264 1.00 64.40 H new ATOM 0 HB2 LEU A 64 4.840 -0.194 1.525 1.00 31.00 H new ATOM 0 HB3 LEU A 64 6.326 0.294 0.735 1.00 31.00 H new ATOM 0 HG LEU A 64 5.749 1.670 2.722 1.00 22.30 H new ATOM 0 HD11 LEU A 64 6.156 3.856 1.662 1.00 44.20 H new ATOM 0 HD12 LEU A 64 7.180 2.581 0.960 1.00 44.20 H new ATOM 0 HD13 LEU A 64 5.747 3.158 0.076 1.00 44.20 H new ATOM 0 HD21 LEU A 64 3.919 3.312 2.549 1.00 41.40 H new ATOM 0 HD22 LEU A 64 3.426 2.592 0.998 1.00 41.40 H new ATOM 0 HD23 LEU A 64 3.312 1.640 2.497 1.00 41.40 H new ATOM 994 N ASP A 65 6.273 0.725 -2.122 1.00 54.30 N ATOM 995 CA ASP A 65 7.141 1.334 -3.123 1.00 65.30 C ATOM 996 C ASP A 65 6.329 1.836 -4.312 1.00 24.00 C ATOM 997 O ASP A 65 6.581 2.922 -4.834 1.00 73.20 O ATOM 998 CB ASP A 65 8.192 0.329 -3.595 1.00 5.21 C ATOM 999 CG ASP A 65 9.447 0.362 -2.745 1.00 20.50 C ATOM 1000 OD1 ASP A 65 9.322 0.341 -1.502 1.00 11.20 O ATOM 1001 OD2 ASP A 65 10.554 0.408 -3.321 1.00 41.50 O ATOM 0 H ASP A 65 6.395 -0.282 -2.014 1.00 54.30 H new ATOM 0 HA ASP A 65 7.644 2.185 -2.664 1.00 65.30 H new ATOM 0 HB2 ASP A 65 7.767 -0.675 -3.572 1.00 5.21 H new ATOM 0 HB3 ASP A 65 8.453 0.541 -4.632 1.00 5.21 H new ATOM 1006 N ARG A 66 5.354 1.038 -4.736 1.00 65.40 N ATOM 1007 CA ARG A 66 4.505 1.402 -5.865 1.00 12.30 C ATOM 1008 C ARG A 66 3.757 2.702 -5.585 1.00 64.30 C ATOM 1009 O ARG A 66 3.657 3.570 -6.452 1.00 61.30 O ATOM 1010 CB ARG A 66 3.508 0.280 -6.162 1.00 33.40 C ATOM 1011 CG ARG A 66 3.199 0.118 -7.641 1.00 23.00 C ATOM 1012 CD ARG A 66 2.963 -1.339 -8.005 1.00 11.30 C ATOM 1013 NE ARG A 66 2.197 -1.478 -9.241 1.00 24.50 N ATOM 1014 CZ ARG A 66 2.150 -2.596 -9.962 1.00 54.20 C ATOM 1015 NH1 ARG A 66 2.822 -3.673 -9.574 1.00 72.30 N ATOM 1016 NH2 ARG A 66 1.428 -2.638 -11.070 1.00 65.50 N ATOM 0 H ARG A 66 5.132 0.136 -4.315 1.00 65.40 H new ATOM 0 HA ARG A 66 5.144 1.551 -6.736 1.00 12.30 H new ATOM 0 HB2 ARG A 66 3.905 -0.659 -5.777 1.00 33.40 H new ATOM 0 HB3 ARG A 66 2.580 0.478 -5.625 1.00 33.40 H new ATOM 0 HG2 ARG A 66 2.317 0.705 -7.896 1.00 23.00 H new ATOM 0 HG3 ARG A 66 4.026 0.512 -8.232 1.00 23.00 H new ATOM 0 HD2 ARG A 66 3.922 -1.845 -8.114 1.00 11.30 H new ATOM 0 HD3 ARG A 66 2.432 -1.834 -7.192 1.00 11.30 H new ATOM 0 HE ARG A 66 1.667 -0.671 -9.571 1.00 24.50 H new ATOM 0 HH11 ARG A 66 3.378 -3.647 -8.719 1.00 72.30 H new ATOM 0 HH12 ARG A 66 2.782 -4.527 -10.131 1.00 72.30 H new ATOM 0 HH21 ARG A 66 0.908 -1.814 -11.371 1.00 65.50 H new ATOM 0 HH22 ARG A 66 1.392 -3.494 -11.623 1.00 65.50 H new ATOM 1030 N ALA A 67 3.235 2.828 -4.370 1.00 73.30 N ATOM 1031 CA ALA A 67 2.497 4.023 -3.976 1.00 64.20 C ATOM 1032 C ALA A 67 3.372 5.266 -4.082 1.00 13.40 C ATOM 1033 O ALA A 67 2.981 6.264 -4.688 1.00 1.03 O ATOM 1034 CB ALA A 67 1.963 3.869 -2.560 1.00 22.10 C ATOM 0 H ALA A 67 3.309 2.118 -3.641 1.00 73.30 H new ATOM 0 HA ALA A 67 1.656 4.144 -4.658 1.00 64.20 H new ATOM 0 HB1 ALA A 67 1.414 4.768 -2.278 1.00 22.10 H new ATOM 0 HB2 ALA A 67 1.297 3.008 -2.514 1.00 22.10 H new ATOM 0 HB3 ALA A 67 2.795 3.721 -1.871 1.00 22.10 H new ATOM 1040 N GLU A 68 4.560 5.198 -3.489 1.00 53.10 N ATOM 1041 CA GLU A 68 5.495 6.318 -3.518 1.00 75.50 C ATOM 1042 C GLU A 68 5.845 6.694 -4.954 1.00 20.30 C ATOM 1043 O GLU A 68 5.739 7.856 -5.347 1.00 24.10 O ATOM 1044 CB GLU A 68 6.767 5.963 -2.742 1.00 3.43 C ATOM 1045 CG GLU A 68 7.860 7.017 -2.840 1.00 42.40 C ATOM 1046 CD GLU A 68 7.372 8.400 -2.458 1.00 52.20 C ATOM 1047 OE1 GLU A 68 6.558 8.504 -1.516 1.00 60.10 O ATOM 1048 OE2 GLU A 68 7.803 9.380 -3.101 1.00 32.50 O ATOM 0 H GLU A 68 4.898 4.380 -2.983 1.00 53.10 H new ATOM 0 HA GLU A 68 5.017 7.176 -3.045 1.00 75.50 H new ATOM 0 HB2 GLU A 68 6.512 5.814 -1.693 1.00 3.43 H new ATOM 0 HB3 GLU A 68 7.155 5.015 -3.113 1.00 3.43 H new ATOM 0 HG2 GLU A 68 8.689 6.736 -2.191 1.00 42.40 H new ATOM 0 HG3 GLU A 68 8.246 7.041 -3.859 1.00 42.40 H new ATOM 1055 N LYS A 69 6.264 5.702 -5.733 1.00 45.00 N ATOM 1056 CA LYS A 69 6.631 5.925 -7.125 1.00 74.00 C ATOM 1057 C LYS A 69 5.440 6.439 -7.928 1.00 55.20 C ATOM 1058 O LYS A 69 5.604 7.195 -8.885 1.00 32.00 O ATOM 1059 CB LYS A 69 7.162 4.632 -7.745 1.00 21.30 C ATOM 1060 CG LYS A 69 7.582 4.779 -9.198 1.00 23.50 C ATOM 1061 CD LYS A 69 7.615 3.436 -9.908 1.00 35.50 C ATOM 1062 CE LYS A 69 7.163 3.559 -11.350 1.00 63.20 C ATOM 1063 NZ LYS A 69 8.279 3.967 -12.250 1.00 1.44 N ATOM 0 H LYS A 69 6.358 4.735 -5.422 1.00 45.00 H new ATOM 0 HA LYS A 69 7.415 6.682 -7.152 1.00 74.00 H new ATOM 0 HB2 LYS A 69 8.015 4.284 -7.163 1.00 21.30 H new ATOM 0 HB3 LYS A 69 6.393 3.863 -7.674 1.00 21.30 H new ATOM 0 HG2 LYS A 69 6.890 5.446 -9.712 1.00 23.50 H new ATOM 0 HG3 LYS A 69 8.567 5.242 -9.248 1.00 23.50 H new ATOM 0 HD2 LYS A 69 8.626 3.031 -9.876 1.00 35.50 H new ATOM 0 HD3 LYS A 69 6.972 2.730 -9.383 1.00 35.50 H new ATOM 0 HE2 LYS A 69 6.756 2.605 -11.686 1.00 63.20 H new ATOM 0 HE3 LYS A 69 6.357 4.290 -11.417 1.00 63.20 H new ATOM 0 HZ1 LYS A 69 7.929 4.040 -13.226 1.00 1.44 H new ATOM 0 HZ2 LYS A 69 8.651 4.889 -11.946 1.00 1.44 H new ATOM 0 HZ3 LYS A 69 9.037 3.257 -12.206 1.00 1.44 H new ATOM 1077 N LEU A 70 4.241 6.024 -7.531 1.00 74.40 N ATOM 1078 CA LEU A 70 3.023 6.445 -8.214 1.00 32.20 C ATOM 1079 C LEU A 70 2.726 7.915 -7.937 1.00 21.30 C ATOM 1080 O LEU A 70 2.215 8.629 -8.801 1.00 53.30 O ATOM 1081 CB LEU A 70 1.841 5.578 -7.772 1.00 63.40 C ATOM 1082 CG LEU A 70 1.459 4.460 -8.745 1.00 53.30 C ATOM 1083 CD1 LEU A 70 2.647 3.547 -9.002 1.00 73.30 C ATOM 1084 CD2 LEU A 70 0.281 3.665 -8.204 1.00 54.30 C ATOM 0 H LEU A 70 4.087 5.397 -6.741 1.00 74.40 H new ATOM 0 HA LEU A 70 3.173 6.321 -9.286 1.00 32.20 H new ATOM 0 HB2 LEU A 70 2.078 5.133 -6.806 1.00 63.40 H new ATOM 0 HB3 LEU A 70 0.974 6.221 -7.623 1.00 63.40 H new ATOM 0 HG LEU A 70 1.164 4.912 -9.692 1.00 53.30 H new ATOM 0 HD11 LEU A 70 2.356 2.758 -9.696 1.00 73.30 H new ATOM 0 HD12 LEU A 70 3.464 4.126 -9.432 1.00 73.30 H new ATOM 0 HD13 LEU A 70 2.973 3.101 -8.062 1.00 73.30 H new ATOM 0 HD21 LEU A 70 0.022 2.874 -8.908 1.00 54.30 H new ATOM 0 HD22 LEU A 70 0.550 3.223 -7.245 1.00 54.30 H new ATOM 0 HD23 LEU A 70 -0.575 4.327 -8.071 1.00 54.30 H new ATOM 1096 N LYS A 71 3.050 8.361 -6.728 1.00 73.20 N ATOM 1097 CA LYS A 71 2.818 9.747 -6.337 1.00 54.00 C ATOM 1098 C LYS A 71 3.638 10.700 -7.201 1.00 3.22 C ATOM 1099 O LYS A 71 3.126 11.707 -7.690 1.00 53.00 O ATOM 1100 CB LYS A 71 3.168 9.948 -4.861 1.00 22.30 C ATOM 1101 CG LYS A 71 2.215 10.880 -4.132 1.00 13.30 C ATOM 1102 CD LYS A 71 2.028 10.462 -2.682 1.00 52.20 C ATOM 1103 CE LYS A 71 2.902 11.282 -1.748 1.00 31.30 C ATOM 1104 NZ LYS A 71 2.373 12.661 -1.560 1.00 41.10 N ATOM 0 H LYS A 71 3.474 7.783 -6.002 1.00 73.20 H new ATOM 0 HA LYS A 71 1.761 9.969 -6.486 1.00 54.00 H new ATOM 0 HB2 LYS A 71 3.169 8.979 -4.361 1.00 22.30 H new ATOM 0 HB3 LYS A 71 4.180 10.346 -4.787 1.00 22.30 H new ATOM 0 HG2 LYS A 71 2.600 11.899 -4.171 1.00 13.30 H new ATOM 0 HG3 LYS A 71 1.250 10.884 -4.638 1.00 13.30 H new ATOM 0 HD2 LYS A 71 0.982 10.581 -2.400 1.00 52.20 H new ATOM 0 HD3 LYS A 71 2.270 9.405 -2.573 1.00 52.20 H new ATOM 0 HE2 LYS A 71 2.967 10.783 -0.781 1.00 31.30 H new ATOM 0 HE3 LYS A 71 3.914 11.333 -2.149 1.00 31.30 H new ATOM 0 HZ1 LYS A 71 3.156 13.305 -1.329 1.00 41.10 H new ATOM 0 HZ2 LYS A 71 1.911 12.978 -2.436 1.00 41.10 H new ATOM 0 HZ3 LYS A 71 1.682 12.665 -0.783 1.00 41.10 H new ATOM 1118 N ASP A 72 4.913 10.374 -7.386 1.00 54.20 N ATOM 1119 CA ASP A 72 5.804 11.201 -8.191 1.00 34.40 C ATOM 1120 C ASP A 72 5.384 11.189 -9.657 1.00 33.10 C ATOM 1121 O ASP A 72 5.580 12.167 -10.370 1.00 15.10 O ATOM 1122 CB ASP A 72 7.247 10.710 -8.058 1.00 64.10 C ATOM 1123 CG ASP A 72 7.717 10.678 -6.617 1.00 62.40 C ATOM 1124 OD1 ASP A 72 7.037 10.044 -5.785 1.00 1.23 O ATOM 1125 OD2 ASP A 72 8.766 11.288 -6.322 1.00 41.40 O ATOM 0 H ASP A 72 5.352 9.543 -6.989 1.00 54.20 H new ATOM 0 HA ASP A 72 5.739 12.225 -7.823 1.00 34.40 H new ATOM 0 HB2 ASP A 72 7.329 9.711 -8.486 1.00 64.10 H new ATOM 0 HB3 ASP A 72 7.904 11.359 -8.637 1.00 64.10 H new ATOM 1130 N TYR A 73 4.804 10.074 -10.090 1.00 54.00 N ATOM 1131 CA TYR A 73 4.356 9.936 -11.470 1.00 31.10 C ATOM 1132 C TYR A 73 3.312 10.994 -11.810 1.00 72.40 C ATOM 1133 O TYR A 73 3.378 11.626 -12.860 1.00 74.30 O ATOM 1134 CB TYR A 73 3.779 8.539 -11.700 1.00 54.50 C ATOM 1135 CG TYR A 73 3.518 8.226 -13.160 1.00 53.10 C ATOM 1136 CD1 TYR A 73 2.381 8.704 -13.800 1.00 34.10 C ATOM 1137 CD2 TYR A 73 4.408 7.454 -13.890 1.00 73.40 C ATOM 1138 CE1 TYR A 73 2.139 8.420 -15.130 1.00 34.30 C ATOM 1139 CE2 TYR A 73 4.174 7.166 -15.220 1.00 43.20 C ATOM 1140 CZ TYR A 73 3.038 7.652 -15.840 1.00 42.00 C ATOM 1141 OH TYR A 73 2.801 7.367 -17.160 1.00 30.50 O ATOM 0 H TYR A 73 4.634 9.255 -9.506 1.00 54.00 H new ATOM 0 HA TYR A 73 5.216 10.079 -12.124 1.00 31.10 H new ATOM 0 HB2 TYR A 73 4.469 7.798 -11.295 1.00 54.50 H new ATOM 0 HB3 TYR A 73 2.847 8.443 -11.144 1.00 54.50 H new ATOM 0 HD1 TYR A 73 1.675 9.307 -13.249 1.00 34.10 H new ATOM 0 HD2 TYR A 73 5.298 7.072 -13.411 1.00 73.40 H new ATOM 0 HE1 TYR A 73 1.249 8.798 -15.612 1.00 34.30 H new ATOM 0 HE2 TYR A 73 4.877 6.562 -15.775 1.00 43.20 H new ATOM 0 HH TYR A 73 3.531 6.816 -17.512 1.00 30.50 H new ATOM 1151 N LEU A 74 2.350 11.181 -10.910 1.00 62.50 N ATOM 1152 CA LEU A 74 1.292 12.162 -11.120 1.00 40.50 C ATOM 1153 C LEU A 74 1.742 13.551 -10.680 1.00 13.30 C ATOM 1154 O LEU A 74 1.319 14.560 -11.240 1.00 10.30 O ATOM 1155 CB LEU A 74 0.032 11.754 -10.360 1.00 74.00 C ATOM 1156 CG LEU A 74 -0.838 10.706 -11.050 1.00 74.40 C ATOM 1157 CD1 LEU A 74 -1.523 9.814 -10.030 1.00 14.00 C ATOM 1158 CD2 LEU A 74 -1.866 11.379 -11.950 1.00 23.40 C ATOM 0 H LEU A 74 2.282 10.667 -10.031 1.00 62.50 H new ATOM 0 HA LEU A 74 1.068 12.195 -12.186 1.00 40.50 H new ATOM 0 HB2 LEU A 74 0.326 11.372 -9.382 1.00 74.00 H new ATOM 0 HB3 LEU A 74 -0.571 12.645 -10.186 1.00 74.00 H new ATOM 0 HG LEU A 74 -0.194 10.080 -11.667 1.00 74.40 H new ATOM 0 HD11 LEU A 74 -2.137 9.076 -10.546 1.00 14.00 H new ATOM 0 HD12 LEU A 74 -0.770 9.304 -9.429 1.00 14.00 H new ATOM 0 HD13 LEU A 74 -2.154 10.421 -9.381 1.00 14.00 H new ATOM 0 HD21 LEU A 74 -2.478 10.619 -12.435 1.00 23.40 H new ATOM 0 HD22 LEU A 74 -2.503 12.030 -11.351 1.00 23.40 H new ATOM 0 HD23 LEU A 74 -1.354 11.970 -12.709 1.00 23.40 H new ATOM 1170 N ARG A 75 2.603 13.593 -9.671 1.00 54.50 N ATOM 1171 CA ARG A 75 3.111 14.858 -9.153 1.00 74.00 C ATOM 1172 C ARG A 75 4.123 15.473 -10.110 1.00 4.33 C ATOM 1173 O ARG A 75 4.240 16.695 -10.200 1.00 0.00 O ATOM 1174 CB ARG A 75 3.756 14.649 -7.781 1.00 33.50 C ATOM 1175 CG ARG A 75 3.815 15.912 -6.938 1.00 24.30 C ATOM 1176 CD ARG A 75 4.379 15.633 -5.554 1.00 74.40 C ATOM 1177 NE ARG A 75 3.708 16.417 -4.520 1.00 43.40 N ATOM 1178 CZ ARG A 75 2.518 16.106 -4.010 1.00 70.20 C ATOM 1179 NH1 ARG A 75 1.867 15.030 -4.434 1.00 0.03 N ATOM 1180 NH2 ARG A 75 1.979 16.873 -3.072 1.00 23.20 N ATOM 0 H ARG A 75 2.964 12.766 -9.195 1.00 54.50 H new ATOM 0 HA ARG A 75 2.269 15.543 -9.053 1.00 74.00 H new ATOM 0 HB2 ARG A 75 3.198 13.886 -7.239 1.00 33.50 H new ATOM 0 HB3 ARG A 75 4.767 14.266 -7.919 1.00 33.50 H new ATOM 0 HG2 ARG A 75 4.432 16.657 -7.440 1.00 24.30 H new ATOM 0 HG3 ARG A 75 2.815 16.336 -6.846 1.00 24.30 H new ATOM 0 HD2 ARG A 75 4.276 14.572 -5.328 1.00 74.40 H new ATOM 0 HD3 ARG A 75 5.445 15.859 -5.545 1.00 74.40 H new ATOM 0 HE ARG A 75 4.178 17.251 -4.168 1.00 43.40 H new ATOM 0 HH11 ARG A 75 2.278 14.436 -5.154 1.00 0.03 H new ATOM 0 HH12 ARG A 75 0.956 14.797 -4.040 1.00 0.03 H new ATOM 0 HH21 ARG A 75 2.476 17.700 -2.742 1.00 23.20 H new ATOM 0 HH22 ARG A 75 1.067 16.636 -2.681 1.00 23.20 H new ATOM 1195 N GLU B 115 10.157 -4.286 9.623 1.00 4.20 N ATOM 1196 CA GLU B 115 8.746 -3.974 9.815 1.00 21.30 C ATOM 1197 C GLU B 115 8.546 -2.481 10.058 1.00 63.20 C ATOM 1198 O GLU B 115 7.514 -1.916 9.697 1.00 61.10 O ATOM 1199 CB GLU B 115 8.181 -4.773 10.991 1.00 4.41 C ATOM 1200 CG GLU B 115 6.710 -5.125 10.836 1.00 72.30 C ATOM 1201 CD GLU B 115 5.794 -3.978 11.215 1.00 43.10 C ATOM 1202 OE1 GLU B 115 5.874 -3.511 12.371 1.00 14.10 O ATOM 1203 OE2 GLU B 115 4.996 -3.547 10.357 1.00 42.10 O ATOM 0 HA GLU B 115 8.212 -4.251 8.906 1.00 21.30 H new ATOM 0 HB2 GLU B 115 8.756 -5.692 11.105 1.00 4.41 H new ATOM 0 HB3 GLU B 115 8.314 -4.198 11.907 1.00 4.41 H new ATOM 0 HG2 GLU B 115 6.516 -5.414 9.803 1.00 72.30 H new ATOM 0 HG3 GLU B 115 6.480 -5.990 11.458 1.00 72.30 H new ATOM 1210 N ASP B 116 9.541 -1.849 10.671 1.00 1.35 N ATOM 1211 CA ASP B 116 9.476 -0.421 10.963 1.00 64.20 C ATOM 1212 C ASP B 116 9.823 0.408 9.730 1.00 43.00 C ATOM 1213 O ASP B 116 9.400 1.558 9.606 1.00 43.10 O ATOM 1214 CB ASP B 116 10.425 -0.071 12.111 1.00 72.30 C ATOM 1215 CG ASP B 116 9.857 0.996 13.026 1.00 44.00 C ATOM 1216 OD1 ASP B 116 9.181 1.916 12.518 1.00 44.20 O ATOM 1217 OD2 ASP B 116 10.087 0.912 14.250 1.00 53.10 O ATOM 0 H ASP B 116 10.402 -2.303 10.975 1.00 1.35 H new ATOM 0 HA ASP B 116 8.454 -0.184 11.259 1.00 64.20 H new ATOM 0 HB2 ASP B 116 10.635 -0.969 12.692 1.00 72.30 H new ATOM 0 HB3 ASP B 116 11.375 0.273 11.702 1.00 72.30 H new ATOM 1222 N GLN B 117 10.597 -0.180 8.822 1.00 44.10 N ATOM 1223 CA GLN B 117 11.000 0.509 7.600 1.00 23.10 C ATOM 1224 C GLN B 117 9.784 0.971 6.804 1.00 23.00 C ATOM 1225 O GLN B 117 9.604 2.165 6.564 1.00 44.50 O ATOM 1226 CB GLN B 117 11.870 -0.407 6.738 1.00 61.20 C ATOM 1227 CG GLN B 117 12.906 0.338 5.912 1.00 3.14 C ATOM 1228 CD GLN B 117 13.423 -0.483 4.747 1.00 20.30 C ATOM 1229 OE1 GLN B 117 14.242 -1.385 4.923 1.00 62.20 O ATOM 1230 NE2 GLN B 117 12.946 -0.174 3.547 1.00 31.40 N ATOM 0 H GLN B 117 10.957 -1.130 8.909 1.00 44.10 H new ATOM 0 HA GLN B 117 11.578 1.388 7.884 1.00 23.10 H new ATOM 0 HB2 GLN B 117 12.379 -1.123 7.383 1.00 61.20 H new ATOM 0 HB3 GLN B 117 11.228 -0.980 6.069 1.00 61.20 H new ATOM 0 HG2 GLN B 117 12.468 1.262 5.535 1.00 3.14 H new ATOM 0 HG3 GLN B 117 13.742 0.620 6.552 1.00 3.14 H new ATOM 0 HE21 GLN B 117 12.268 0.582 3.447 1.00 31.40 H new ATOM 0 HE22 GLN B 117 13.257 -0.692 2.725 1.00 31.40 H new ATOM 1239 N LEU B 118 8.952 0.018 6.396 1.00 61.20 N ATOM 1240 CA LEU B 118 7.753 0.329 5.626 1.00 41.20 C ATOM 1241 C LEU B 118 6.696 0.987 6.507 1.00 51.50 C ATOM 1242 O LEU B 118 5.906 1.807 6.038 1.00 4.11 O ATOM 1243 CB LEU B 118 7.186 -0.941 4.989 1.00 1.43 C ATOM 1244 CG LEU B 118 6.740 -2.020 5.979 1.00 11.30 C ATOM 1245 CD1 LEU B 118 5.421 -2.638 5.540 1.00 33.20 C ATOM 1246 CD2 LEU B 118 7.811 -3.091 6.119 1.00 5.41 C ATOM 0 H LEU B 118 9.086 -0.975 6.586 1.00 61.20 H new ATOM 0 HA LEU B 118 8.029 1.029 4.838 1.00 41.20 H new ATOM 0 HB2 LEU B 118 6.335 -0.667 4.366 1.00 1.43 H new ATOM 0 HB3 LEU B 118 7.941 -1.366 4.328 1.00 1.43 H new ATOM 0 HG LEU B 118 6.592 -1.552 6.952 1.00 11.30 H new ATOM 0 HD11 LEU B 118 5.121 -3.403 6.257 1.00 33.20 H new ATOM 0 HD12 LEU B 118 4.655 -1.864 5.493 1.00 33.20 H new ATOM 0 HD13 LEU B 118 5.541 -3.091 4.556 1.00 33.20 H new ATOM 0 HD21 LEU B 118 7.477 -3.850 6.827 1.00 5.41 H new ATOM 0 HD22 LEU B 118 7.991 -3.554 5.149 1.00 5.41 H new ATOM 0 HD23 LEU B 118 8.734 -2.638 6.482 1.00 5.41 H new ATOM 1258 N SER B 119 6.686 0.623 7.785 1.00 44.30 N ATOM 1259 CA SER B 119 5.725 1.179 8.730 1.00 42.20 C ATOM 1260 C SER B 119 5.880 2.692 8.836 1.00 22.10 C ATOM 1261 O SER B 119 4.900 3.434 8.764 1.00 61.00 O ATOM 1262 CB SER B 119 5.903 0.538 10.108 1.00 60.20 C ATOM 1263 OG SER B 119 4.949 1.037 11.030 1.00 70.40 O ATOM 0 H SER B 119 7.332 -0.054 8.190 1.00 44.30 H new ATOM 0 HA SER B 119 4.723 0.959 8.362 1.00 42.20 H new ATOM 0 HB2 SER B 119 5.802 -0.544 10.025 1.00 60.20 H new ATOM 0 HB3 SER B 119 6.909 0.737 10.478 1.00 60.20 H new ATOM 0 HG SER B 119 5.083 0.611 11.902 1.00 70.40 H new ATOM 1269 N ARG B 120 7.118 3.144 9.008 1.00 50.40 N ATOM 1270 CA ARG B 120 7.403 4.569 9.123 1.00 3.21 C ATOM 1271 C ARG B 120 7.042 5.302 7.835 1.00 11.40 C ATOM 1272 O ARG B 120 6.415 6.360 7.865 1.00 3.11 O ATOM 1273 CB ARG B 120 8.880 4.791 9.454 1.00 51.00 C ATOM 1274 CG ARG B 120 9.248 4.410 10.878 1.00 64.10 C ATOM 1275 CD ARG B 120 10.319 5.329 11.442 1.00 32.20 C ATOM 1276 NE ARG B 120 10.390 5.258 12.900 1.00 34.10 N ATOM 1277 CZ ARG B 120 11.308 5.889 13.629 1.00 41.20 C ATOM 1278 NH1 ARG B 120 12.233 6.638 13.041 1.00 50.40 N ATOM 1279 NH2 ARG B 120 11.300 5.771 14.950 1.00 10.20 N ATOM 0 H ARG B 120 7.940 2.543 9.071 1.00 50.40 H new ATOM 0 HA ARG B 120 6.793 4.971 9.932 1.00 3.21 H new ATOM 0 HB2 ARG B 120 9.490 4.210 8.762 1.00 51.00 H new ATOM 0 HB3 ARG B 120 9.126 5.840 9.292 1.00 51.00 H new ATOM 0 HG2 ARG B 120 8.360 4.455 11.509 1.00 64.10 H new ATOM 0 HG3 ARG B 120 9.603 3.380 10.900 1.00 64.10 H new ATOM 0 HD2 ARG B 120 11.287 5.060 11.019 1.00 32.20 H new ATOM 0 HD3 ARG B 120 10.112 6.355 11.139 1.00 32.20 H new ATOM 0 HE ARG B 120 9.696 4.692 13.388 1.00 34.10 H new ATOM 0 HH11 ARG B 120 12.243 6.732 12.025 1.00 50.40 H new ATOM 0 HH12 ARG B 120 12.934 7.119 13.605 1.00 50.40 H new ATOM 0 HH21 ARG B 120 10.591 5.197 15.406 1.00 10.20 H new ATOM 0 HH22 ARG B 120 12.003 6.254 15.509 1.00 10.20 H new ATOM 1293 N ARG B 121 7.443 4.730 6.704 1.00 75.00 N ATOM 1294 CA ARG B 121 7.162 5.328 5.404 1.00 24.10 C ATOM 1295 C ARG B 121 5.661 5.377 5.141 1.00 3.44 C ATOM 1296 O ARG B 121 5.168 6.281 4.466 1.00 25.30 O ATOM 1297 CB ARG B 121 7.861 4.540 4.294 1.00 4.15 C ATOM 1298 CG ARG B 121 9.375 4.514 4.427 1.00 63.10 C ATOM 1299 CD ARG B 121 9.971 3.287 3.757 1.00 4.22 C ATOM 1300 NE ARG B 121 11.428 3.360 3.678 1.00 24.30 N ATOM 1301 CZ ARG B 121 12.086 4.078 2.771 1.00 51.00 C ATOM 1302 NH1 ARG B 121 11.422 4.785 1.865 1.00 72.40 N ATOM 1303 NH2 ARG B 121 13.412 4.089 2.770 1.00 14.00 N ATOM 0 H ARG B 121 7.963 3.854 6.662 1.00 75.00 H new ATOM 0 HA ARG B 121 7.545 6.349 5.411 1.00 24.10 H new ATOM 0 HB2 ARG B 121 7.487 3.516 4.296 1.00 4.15 H new ATOM 0 HB3 ARG B 121 7.597 4.974 3.330 1.00 4.15 H new ATOM 0 HG2 ARG B 121 9.796 5.415 3.980 1.00 63.10 H new ATOM 0 HG3 ARG B 121 9.649 4.523 5.482 1.00 63.10 H new ATOM 0 HD2 ARG B 121 9.682 2.395 4.312 1.00 4.22 H new ATOM 0 HD3 ARG B 121 9.558 3.185 2.753 1.00 4.22 H new ATOM 0 HE ARG B 121 11.973 2.830 4.358 1.00 24.30 H new ATOM 0 HH11 ARG B 121 10.402 4.780 1.861 1.00 72.40 H new ATOM 0 HH12 ARG B 121 11.932 5.333 1.172 1.00 72.40 H new ATOM 0 HH21 ARG B 121 13.927 3.547 3.464 1.00 14.00 H new ATOM 0 HH22 ARG B 121 13.917 4.639 2.075 1.00 14.00 H new ATOM 1317 N LEU B 122 4.939 4.399 5.679 1.00 72.50 N ATOM 1318 CA LEU B 122 3.493 4.331 5.503 1.00 73.20 C ATOM 1319 C LEU B 122 2.816 5.576 6.066 1.00 41.40 C ATOM 1320 O LEU B 122 2.057 6.250 5.371 1.00 74.50 O ATOM 1321 CB LEU B 122 2.934 3.080 6.184 1.00 61.20 C ATOM 1322 CG LEU B 122 1.634 2.542 5.584 1.00 23.20 C ATOM 1323 CD1 LEU B 122 0.577 3.633 5.535 1.00 20.40 C ATOM 1324 CD2 LEU B 122 1.884 1.976 4.194 1.00 24.10 C ATOM 0 H LEU B 122 5.332 3.643 6.240 1.00 72.50 H new ATOM 0 HA LEU B 122 3.285 4.279 4.434 1.00 73.20 H new ATOM 0 HB2 LEU B 122 3.688 2.294 6.142 1.00 61.20 H new ATOM 0 HB3 LEU B 122 2.765 3.303 7.237 1.00 61.20 H new ATOM 0 HG LEU B 122 1.267 1.738 6.222 1.00 23.20 H new ATOM 0 HD11 LEU B 122 -0.341 3.231 5.105 1.00 20.40 H new ATOM 0 HD12 LEU B 122 0.378 3.992 6.545 1.00 20.40 H new ATOM 0 HD13 LEU B 122 0.935 4.459 4.920 1.00 20.40 H new ATOM 0 HD21 LEU B 122 0.949 1.597 3.782 1.00 24.10 H new ATOM 0 HD22 LEU B 122 2.275 2.761 3.546 1.00 24.10 H new ATOM 0 HD23 LEU B 122 2.608 1.164 4.257 1.00 24.10 H new ATOM 1336 N ALA B 123 3.097 5.875 7.330 1.00 31.00 N ATOM 1337 CA ALA B 123 2.516 7.039 7.988 1.00 1.32 C ATOM 1338 C ALA B 123 2.907 8.326 7.270 1.00 43.40 C ATOM 1339 O ALA B 123 2.106 9.255 7.162 1.00 54.10 O ATOM 1340 CB ALA B 123 2.949 7.092 9.445 1.00 51.00 C ATOM 0 H ALA B 123 3.724 5.327 7.919 1.00 31.00 H new ATOM 0 HA ALA B 123 1.431 6.946 7.947 1.00 1.32 H new ATOM 0 HB1 ALA B 123 2.508 7.966 9.924 1.00 51.00 H new ATOM 0 HB2 ALA B 123 2.614 6.190 9.957 1.00 51.00 H new ATOM 0 HB3 ALA B 123 4.036 7.158 9.499 1.00 51.00 H new ATOM 1346 N ALA B 124 4.142 8.374 6.782 1.00 61.20 N ATOM 1347 CA ALA B 124 4.638 9.548 6.074 1.00 64.30 C ATOM 1348 C ALA B 124 3.953 9.704 4.721 1.00 20.40 C ATOM 1349 O ALA B 124 3.714 10.820 4.260 1.00 14.30 O ATOM 1350 CB ALA B 124 6.147 9.457 5.897 1.00 23.40 C ATOM 0 H ALA B 124 4.817 7.614 6.864 1.00 61.20 H new ATOM 0 HA ALA B 124 4.405 10.429 6.672 1.00 64.30 H new ATOM 0 HB1 ALA B 124 6.505 10.340 5.367 1.00 23.40 H new ATOM 0 HB2 ALA B 124 6.625 9.402 6.875 1.00 23.40 H new ATOM 0 HB3 ALA B 124 6.393 8.564 5.322 1.00 23.40 H new ATOM 1356 N LEU B 125 3.640 8.577 4.089 1.00 64.40 N ATOM 1357 CA LEU B 125 2.982 8.589 2.787 1.00 1.03 C ATOM 1358 C LEU B 125 1.629 9.288 2.869 1.00 42.30 C ATOM 1359 O LEU B 125 1.275 10.081 1.996 1.00 50.40 O ATOM 1360 CB LEU B 125 2.801 7.160 2.271 1.00 50.40 C ATOM 1361 CG LEU B 125 2.885 7.006 0.752 1.00 13.40 C ATOM 1362 CD1 LEU B 125 4.330 6.826 0.313 1.00 52.50 C ATOM 1363 CD2 LEU B 125 2.036 5.832 0.289 1.00 1.24 C ATOM 0 H LEU B 125 3.831 7.645 4.457 1.00 64.40 H new ATOM 0 HA LEU B 125 3.615 9.141 2.092 1.00 1.03 H new ATOM 0 HB2 LEU B 125 3.561 6.526 2.728 1.00 50.40 H new ATOM 0 HB3 LEU B 125 1.832 6.789 2.606 1.00 50.40 H new ATOM 0 HG LEU B 125 2.497 7.915 0.291 1.00 13.40 H new ATOM 0 HD11 LEU B 125 4.370 6.718 -0.771 1.00 52.50 H new ATOM 0 HD12 LEU B 125 4.913 7.697 0.613 1.00 52.50 H new ATOM 0 HD13 LEU B 125 4.744 5.934 0.782 1.00 52.50 H new ATOM 0 HD21 LEU B 125 2.107 5.737 -0.794 1.00 1.24 H new ATOM 0 HD22 LEU B 125 2.395 4.916 0.758 1.00 1.24 H new ATOM 0 HD23 LEU B 125 0.997 6.001 0.571 1.00 1.24 H new