USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=16 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 34 HIS : no HD1:sc= -0.956 K(o=-0.96,f=-2.2) USER MOD Set 1.2: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 25 TYR OH : rot 55:sc= 0.78 USER MOD Set 2.2: A 73 TYR OH : rot 165:sc= 0.379 USER MOD Single : A 5 THR OG1 : rot 29:sc= 0.402 USER MOD Single : A 7 GLN : amide:sc= -0.835 X(o=-0.83,f=-0.83) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 96:sc= 1.25 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.186 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= -0.372 K(o=-0.37,f=-3!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.842 K(o=-0.84,f=-2.2) USER MOD Single : A 41 HIS : no HE2:sc= 1.05 K(o=1,f=-5.2!) USER MOD Single : A 44 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0283) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 38:sc= 0.786 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 -55:sc= 1.19 USER MOD Single : A 59 LYS NZ :NH3+ 167:sc= -0.01 (180deg=-0.153) USER MOD Single : A 60 CYS SG : rot 67:sc= -1.22 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 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 : B 117 GLN : amide:sc= -0.165 X(o=-0.16,f=-0.0024) USER MOD Single : B 119 SER OG : rot 63:sc= 1.17 USER MOD Single : B 127 ASN : amide:sc= -1.08 K(o=-1.1,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 5 -10.270 -8.601 7.929 1.00 34.10 N ATOM 2 CA THR A 5 -9.249 -7.624 7.568 1.00 0.04 C ATOM 3 C THR A 5 -8.407 -8.124 6.398 1.00 53.40 C ATOM 4 O THR A 5 -7.968 -7.339 5.557 1.00 62.20 O ATOM 5 CB THR A 5 -8.349 -7.329 8.769 1.00 52.50 C ATOM 6 OG1 THR A 5 -9.109 -7.270 9.963 1.00 42.30 O ATOM 7 CG2 THR A 5 -7.590 -6.026 8.643 1.00 63.40 C ATOM 0 HA THR A 5 -9.751 -6.706 7.265 1.00 0.04 H new ATOM 0 HB THR A 5 -7.630 -8.148 8.799 1.00 52.50 H new ATOM 0 HG1 THR A 5 -9.897 -7.846 9.878 1.00 42.30 H new ATOM 0 HG21 THR A 5 -6.971 -5.878 9.528 1.00 63.40 H new ATOM 0 HG22 THR A 5 -6.955 -6.059 7.758 1.00 63.40 H new ATOM 0 HG23 THR A 5 -8.296 -5.201 8.552 1.00 63.40 H new ATOM 15 N LEU A 6 -8.187 -9.433 6.351 1.00 1.21 N ATOM 16 CA LEU A 6 -7.398 -10.030 5.283 1.00 40.50 C ATOM 17 C LEU A 6 -8.114 -9.917 3.942 1.00 33.20 C ATOM 18 O LEU A 6 -7.506 -9.563 2.932 1.00 3.32 O ATOM 19 CB LEU A 6 -7.120 -11.500 5.596 1.00 13.30 C ATOM 20 CG LEU A 6 -5.867 -11.760 6.434 1.00 20.30 C ATOM 21 CD1 LEU A 6 -4.615 -11.440 5.636 1.00 3.32 C ATOM 22 CD2 LEU A 6 -5.910 -10.950 7.720 1.00 64.40 C ATOM 0 H LEU A 6 -8.543 -10.098 7.038 1.00 1.21 H new ATOM 0 HA LEU A 6 -6.455 -9.487 5.216 1.00 40.50 H new ATOM 0 HB2 LEU A 6 -7.981 -11.913 6.121 1.00 13.30 H new ATOM 0 HB3 LEU A 6 -7.029 -12.044 4.656 1.00 13.30 H new ATOM 0 HG LEU A 6 -5.840 -12.817 6.697 1.00 20.30 H new ATOM 0 HD11 LEU A 6 -3.734 -11.631 6.249 1.00 3.32 H new ATOM 0 HD12 LEU A 6 -4.581 -12.068 4.746 1.00 3.32 H new ATOM 0 HD13 LEU A 6 -4.630 -10.391 5.340 1.00 3.32 H new ATOM 0 HD21 LEU A 6 -5.011 -11.147 8.304 1.00 64.40 H new ATOM 0 HD22 LEU A 6 -5.961 -9.888 7.480 1.00 64.40 H new ATOM 0 HD23 LEU A 6 -6.789 -11.234 8.299 1.00 64.40 H new ATOM 34 N GLN A 7 -9.410 -10.210 3.940 1.00 23.40 N ATOM 35 CA GLN A 7 -10.200 -10.130 2.723 1.00 12.20 C ATOM 36 C GLN A 7 -10.200 -8.722 2.157 1.00 51.10 C ATOM 37 O GLN A 7 -10.280 -8.528 0.944 1.00 54.50 O ATOM 38 CB GLN A 7 -11.640 -10.580 3.002 1.00 11.40 C ATOM 39 CG GLN A 7 -12.270 -11.350 1.853 1.00 75.50 C ATOM 40 CD GLN A 7 -12.230 -10.580 0.545 1.00 24.10 C ATOM 41 OE1 GLN A 7 -12.990 -9.647 0.334 1.00 4.11 O ATOM 42 NE2 GLN A 7 -11.320 -10.980 -0.342 1.00 72.20 N ATOM 0 H GLN A 7 -9.932 -10.504 4.766 1.00 23.40 H new ATOM 0 HA GLN A 7 -9.749 -10.792 1.984 1.00 12.20 H new ATOM 0 HB2 GLN A 7 -11.650 -11.204 3.895 1.00 11.40 H new ATOM 0 HB3 GLN A 7 -12.250 -9.703 3.219 1.00 11.40 H new ATOM 0 HG2 GLN A 7 -11.750 -12.300 1.728 1.00 75.50 H new ATOM 0 HG3 GLN A 7 -13.305 -11.584 2.101 1.00 75.50 H new ATOM 0 HE21 GLN A 7 -10.705 -11.764 -0.124 1.00 72.20 H new ATOM 0 HE22 GLN A 7 -11.238 -10.502 -1.239 1.00 72.20 H new ATOM 51 N LYS A 8 -10.110 -7.736 3.043 1.00 34.20 N ATOM 52 CA LYS A 8 -10.100 -6.337 2.632 1.00 4.25 C ATOM 53 C LYS A 8 -8.715 -5.924 2.152 1.00 31.20 C ATOM 54 O LYS A 8 -8.579 -5.074 1.272 1.00 45.10 O ATOM 55 CB LYS A 8 -10.540 -5.439 3.789 1.00 1.21 C ATOM 56 CG LYS A 8 -12.050 -5.308 3.917 1.00 12.20 C ATOM 57 CD LYS A 8 -12.620 -4.366 2.869 1.00 73.50 C ATOM 58 CE LYS A 8 -13.990 -3.859 3.265 1.00 4.30 C ATOM 59 NZ LYS A 8 -14.900 -3.731 2.088 1.00 44.50 N ATOM 0 H LYS A 8 -10.043 -7.880 4.051 1.00 34.20 H new ATOM 0 HA LYS A 8 -10.802 -6.222 1.806 1.00 4.25 H new ATOM 0 HB2 LYS A 8 -10.138 -5.837 4.721 1.00 1.21 H new ATOM 0 HB3 LYS A 8 -10.108 -4.448 3.653 1.00 1.21 H new ATOM 0 HG2 LYS A 8 -12.511 -6.290 3.814 1.00 12.20 H new ATOM 0 HG3 LYS A 8 -12.301 -4.941 4.912 1.00 12.20 H new ATOM 0 HD2 LYS A 8 -11.944 -3.522 2.731 1.00 73.50 H new ATOM 0 HD3 LYS A 8 -12.685 -4.882 1.911 1.00 73.50 H new ATOM 0 HE2 LYS A 8 -14.432 -4.539 3.993 1.00 4.30 H new ATOM 0 HE3 LYS A 8 -13.891 -2.890 3.754 1.00 4.30 H new ATOM 0 HZ1 LYS A 8 -15.827 -3.381 2.403 1.00 44.50 H new ATOM 0 HZ2 LYS A 8 -14.491 -3.062 1.404 1.00 44.50 H new ATOM 0 HZ3 LYS A 8 -15.016 -4.660 1.636 1.00 44.50 H new ATOM 73 N ALA A 9 -7.688 -6.531 2.736 1.00 13.20 N ATOM 74 CA ALA A 9 -6.310 -6.227 2.368 1.00 32.50 C ATOM 75 C ALA A 9 -5.995 -6.723 0.961 1.00 11.20 C ATOM 76 O ALA A 9 -5.298 -6.054 0.198 1.00 24.10 O ATOM 77 CB ALA A 9 -5.348 -6.840 3.374 1.00 44.10 C ATOM 0 H ALA A 9 -7.784 -7.237 3.466 1.00 13.20 H new ATOM 0 HA ALA A 9 -6.188 -5.144 2.378 1.00 32.50 H new ATOM 0 HB1 ALA A 9 -4.323 -6.605 3.087 1.00 44.10 H new ATOM 0 HB2 ALA A 9 -5.550 -6.433 4.365 1.00 44.10 H new ATOM 0 HB3 ALA A 9 -5.481 -7.922 3.392 1.00 44.10 H new ATOM 83 N ILE A 10 -6.513 -7.899 0.624 1.00 65.30 N ATOM 84 CA ILE A 10 -6.287 -8.485 -0.692 1.00 14.10 C ATOM 85 C ILE A 10 -7.171 -7.826 -1.745 1.00 53.40 C ATOM 86 O ILE A 10 -6.693 -7.422 -2.806 1.00 1.13 O ATOM 87 CB ILE A 10 -6.559 -10.000 -0.687 1.00 55.00 C ATOM 88 CG1 ILE A 10 -5.842 -10.660 0.489 1.00 43.30 C ATOM 89 CG2 ILE A 10 -6.118 -10.620 -2.004 1.00 25.00 C ATOM 90 CD1 ILE A 10 -6.356 -12.050 0.802 1.00 63.30 C ATOM 0 H ILE A 10 -7.092 -8.465 1.244 1.00 65.30 H new ATOM 0 HA ILE A 10 -5.240 -8.312 -0.939 1.00 14.10 H new ATOM 0 HB ILE A 10 -7.630 -10.165 -0.574 1.00 55.00 H new ATOM 0 HG12 ILE A 10 -4.776 -10.715 0.270 1.00 43.30 H new ATOM 0 HG13 ILE A 10 -5.954 -10.032 1.373 1.00 43.30 H new ATOM 0 HG21 ILE A 10 -6.316 -11.692 -1.986 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -6.670 -10.162 -2.825 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -5.051 -10.451 -2.146 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -5.804 -12.460 1.647 1.00 63.30 H new ATOM 0 HD12 ILE A 10 -7.416 -11.998 1.052 1.00 63.30 H new ATOM 0 HD13 ILE A 10 -6.219 -12.693 -0.068 1.00 63.30 H new ATOM 102 N ASP A 11 -8.462 -7.722 -1.447 1.00 20.40 N ATOM 103 CA ASP A 11 -9.413 -7.112 -2.369 1.00 75.40 C ATOM 104 C ASP A 11 -9.024 -5.670 -2.678 1.00 52.40 C ATOM 105 O ASP A 11 -9.280 -5.168 -3.773 1.00 72.20 O ATOM 106 CB ASP A 11 -10.820 -7.156 -1.782 1.00 70.10 C ATOM 107 CG ASP A 11 -11.890 -7.206 -2.854 1.00 72.50 C ATOM 108 OD1 ASP A 11 -11.970 -6.257 -3.662 1.00 32.20 O ATOM 109 OD2 ASP A 11 -12.650 -8.194 -2.885 1.00 54.00 O ATOM 0 H ASP A 11 -8.874 -8.052 -0.574 1.00 20.40 H new ATOM 0 HA ASP A 11 -9.396 -7.681 -3.299 1.00 75.40 H new ATOM 0 HB2 ASP A 11 -10.915 -8.029 -1.137 1.00 70.10 H new ATOM 0 HB3 ASP A 11 -10.977 -6.278 -1.156 1.00 70.10 H new ATOM 114 N LEU A 12 -8.403 -5.008 -1.707 1.00 22.10 N ATOM 115 CA LEU A 12 -7.978 -3.624 -1.876 1.00 1.22 C ATOM 116 C LEU A 12 -6.789 -3.532 -2.828 1.00 54.40 C ATOM 117 O LEU A 12 -6.816 -2.776 -3.800 1.00 74.50 O ATOM 118 CB LEU A 12 -7.611 -3.012 -0.523 1.00 63.40 C ATOM 119 CG LEU A 12 -8.796 -2.505 0.301 1.00 60.10 C ATOM 120 CD1 LEU A 12 -8.360 -2.192 1.724 1.00 44.50 C ATOM 121 CD2 LEU A 12 -9.412 -1.278 -0.352 1.00 12.50 C ATOM 0 H LEU A 12 -8.183 -5.408 -0.795 1.00 22.10 H new ATOM 0 HA LEU A 12 -8.809 -3.065 -2.306 1.00 1.22 H new ATOM 0 HB2 LEU A 12 -7.074 -3.758 0.062 1.00 63.40 H new ATOM 0 HB3 LEU A 12 -6.924 -2.183 -0.691 1.00 63.40 H new ATOM 0 HG LEU A 12 -9.552 -3.290 0.338 1.00 60.10 H new ATOM 0 HD11 LEU A 12 -9.215 -1.833 2.296 1.00 44.50 H new ATOM 0 HD12 LEU A 12 -7.965 -3.095 2.190 1.00 44.50 H new ATOM 0 HD13 LEU A 12 -7.587 -1.424 1.707 1.00 44.50 H new ATOM 0 HD21 LEU A 12 -10.254 -0.931 0.247 1.00 12.50 H new ATOM 0 HD22 LEU A 12 -8.664 -0.488 -0.420 1.00 12.50 H new ATOM 0 HD23 LEU A 12 -9.761 -1.535 -1.352 1.00 12.50 H new ATOM 133 N VAL A 13 -5.748 -4.306 -2.542 1.00 74.30 N ATOM 134 CA VAL A 13 -4.550 -4.312 -3.372 1.00 32.00 C ATOM 135 C VAL A 13 -4.856 -4.827 -4.775 1.00 73.40 C ATOM 136 O VAL A 13 -4.278 -4.363 -5.758 1.00 35.40 O ATOM 137 CB VAL A 13 -3.439 -5.177 -2.745 1.00 13.10 C ATOM 138 CG1 VAL A 13 -3.888 -6.626 -2.624 1.00 33.50 C ATOM 139 CG2 VAL A 13 -2.157 -5.074 -3.557 1.00 55.40 C ATOM 0 H VAL A 13 -5.710 -4.937 -1.742 1.00 74.30 H new ATOM 0 HA VAL A 13 -4.202 -3.281 -3.437 1.00 32.00 H new ATOM 0 HB VAL A 13 -3.238 -4.801 -1.742 1.00 13.10 H new ATOM 0 HG11 VAL A 13 -3.089 -7.219 -2.179 1.00 33.50 H new ATOM 0 HG12 VAL A 13 -4.775 -6.681 -1.993 1.00 33.50 H new ATOM 0 HG13 VAL A 13 -4.123 -7.018 -3.614 1.00 33.50 H new ATOM 0 HG21 VAL A 13 -1.385 -5.692 -3.098 1.00 55.40 H new ATOM 0 HG22 VAL A 13 -2.342 -5.420 -4.574 1.00 55.40 H new ATOM 0 HG23 VAL A 13 -1.824 -4.036 -3.582 1.00 55.40 H new ATOM 149 N THR A 14 -5.770 -5.790 -4.861 1.00 70.20 N ATOM 150 CA THR A 14 -6.153 -6.368 -6.144 1.00 13.10 C ATOM 151 C THR A 14 -6.705 -5.297 -7.080 1.00 41.50 C ATOM 152 O THR A 14 -6.294 -5.197 -8.236 1.00 52.50 O ATOM 153 CB THR A 14 -7.193 -7.470 -5.940 1.00 11.40 C ATOM 154 OG1 THR A 14 -6.701 -8.468 -5.064 1.00 53.10 O ATOM 155 CG2 THR A 14 -7.604 -8.151 -7.228 1.00 24.40 C ATOM 0 H THR A 14 -6.258 -6.186 -4.058 1.00 70.20 H new ATOM 0 HA THR A 14 -5.262 -6.799 -6.601 1.00 13.10 H new ATOM 0 HB THR A 14 -8.065 -6.970 -5.518 1.00 11.40 H new ATOM 0 HG1 THR A 14 -7.015 -8.287 -4.153 1.00 53.10 H new ATOM 0 HG21 THR A 14 -8.344 -8.922 -7.012 1.00 24.40 H new ATOM 0 HG22 THR A 14 -8.035 -7.415 -7.907 1.00 24.40 H new ATOM 0 HG23 THR A 14 -6.730 -8.607 -7.693 1.00 24.40 H new ATOM 163 N LYS A 15 -7.638 -4.499 -6.572 1.00 31.20 N ATOM 164 CA LYS A 15 -8.247 -3.435 -7.362 1.00 4.34 C ATOM 165 C LYS A 15 -7.202 -2.408 -7.786 1.00 0.10 C ATOM 166 O LYS A 15 -7.308 -1.802 -8.852 1.00 52.30 O ATOM 167 CB LYS A 15 -9.358 -2.750 -6.564 1.00 21.30 C ATOM 168 CG LYS A 15 -10.700 -3.449 -6.672 1.00 62.00 C ATOM 169 CD LYS A 15 -11.410 -3.092 -7.968 1.00 71.30 C ATOM 170 CE LYS A 15 -12.750 -3.794 -8.077 1.00 2.42 C ATOM 171 NZ LYS A 15 -13.570 -3.251 -9.194 1.00 2.13 N ATOM 0 H LYS A 15 -7.989 -4.569 -5.617 1.00 31.20 H new ATOM 0 HA LYS A 15 -8.677 -3.882 -8.258 1.00 4.34 H new ATOM 0 HB2 LYS A 15 -9.065 -2.703 -5.515 1.00 21.30 H new ATOM 0 HB3 LYS A 15 -9.464 -1.722 -6.912 1.00 21.30 H new ATOM 0 HG2 LYS A 15 -10.555 -4.528 -6.620 1.00 62.00 H new ATOM 0 HG3 LYS A 15 -11.326 -3.171 -5.824 1.00 62.00 H new ATOM 0 HD2 LYS A 15 -11.558 -2.013 -8.018 1.00 71.30 H new ATOM 0 HD3 LYS A 15 -10.783 -3.368 -8.816 1.00 71.30 H new ATOM 0 HE2 LYS A 15 -12.590 -4.861 -8.229 1.00 2.42 H new ATOM 0 HE3 LYS A 15 -13.295 -3.684 -7.139 1.00 2.42 H new ATOM 0 HZ1 LYS A 15 -14.478 -3.756 -9.236 1.00 2.13 H new ATOM 0 HZ2 LYS A 15 -13.745 -2.238 -9.036 1.00 2.13 H new ATOM 0 HZ3 LYS A 15 -13.061 -3.379 -10.092 1.00 2.13 H new ATOM 185 N ALA A 16 -6.192 -2.217 -6.943 1.00 65.30 N ATOM 186 CA ALA A 16 -5.127 -1.264 -7.230 1.00 52.00 C ATOM 187 C ALA A 16 -4.267 -1.737 -8.397 1.00 61.50 C ATOM 188 O ALA A 16 -3.852 -0.941 -9.239 1.00 72.50 O ATOM 189 CB ALA A 16 -4.268 -1.046 -5.994 1.00 72.30 C ATOM 0 H ALA A 16 -6.089 -2.710 -6.056 1.00 65.30 H new ATOM 0 HA ALA A 16 -5.587 -0.317 -7.512 1.00 52.00 H new ATOM 0 HB1 ALA A 16 -3.477 -0.332 -6.222 1.00 72.30 H new ATOM 0 HB2 ALA A 16 -4.886 -0.656 -5.185 1.00 72.30 H new ATOM 0 HB3 ALA A 16 -3.825 -1.993 -5.687 1.00 72.30 H new ATOM 195 N THR A 17 -4.003 -3.039 -8.440 1.00 14.30 N ATOM 196 CA THR A 17 -3.192 -3.619 -9.505 1.00 53.20 C ATOM 197 C THR A 17 -3.833 -3.381 -10.860 1.00 21.10 C ATOM 198 O THR A 17 -3.160 -2.994 -11.820 1.00 52.20 O ATOM 199 CB THR A 17 -3.004 -5.119 -9.271 1.00 62.10 C ATOM 200 OG1 THR A 17 -3.190 -5.441 -7.904 1.00 52.10 O ATOM 201 CG2 THR A 17 -1.636 -5.621 -9.679 1.00 12.50 C ATOM 0 H THR A 17 -4.338 -3.712 -7.751 1.00 14.30 H new ATOM 0 HA THR A 17 -2.216 -3.133 -9.494 1.00 53.20 H new ATOM 0 HB THR A 17 -3.753 -5.605 -9.896 1.00 62.10 H new ATOM 0 HG1 THR A 17 -3.067 -6.405 -7.775 1.00 52.10 H new ATOM 0 HG21 THR A 17 -1.569 -6.692 -9.487 1.00 12.50 H new ATOM 0 HG22 THR A 17 -1.481 -5.433 -10.741 1.00 12.50 H new ATOM 0 HG23 THR A 17 -0.871 -5.101 -9.103 1.00 12.50 H new ATOM 209 N GLU A 18 -5.139 -3.615 -10.950 1.00 12.10 N ATOM 210 CA GLU A 18 -5.872 -3.425 -12.190 1.00 63.40 C ATOM 211 C GLU A 18 -5.810 -1.969 -12.640 1.00 11.50 C ATOM 212 O GLU A 18 -5.656 -1.682 -13.830 1.00 50.00 O ATOM 213 CB GLU A 18 -7.331 -3.856 -12.020 1.00 34.40 C ATOM 214 CG GLU A 18 -7.498 -5.151 -11.250 1.00 23.30 C ATOM 215 CD GLU A 18 -8.866 -5.774 -11.440 1.00 62.40 C ATOM 216 OE1 GLU A 18 -9.220 -6.083 -12.600 1.00 3.31 O ATOM 217 OE2 GLU A 18 -9.584 -5.954 -10.430 1.00 51.50 O ATOM 0 H GLU A 18 -5.712 -3.939 -10.171 1.00 12.10 H new ATOM 0 HA GLU A 18 -5.406 -4.045 -12.956 1.00 63.40 H new ATOM 0 HB2 GLU A 18 -7.877 -3.065 -11.506 1.00 34.40 H new ATOM 0 HB3 GLU A 18 -7.785 -3.968 -13.005 1.00 34.40 H new ATOM 0 HG2 GLU A 18 -6.734 -5.859 -11.569 1.00 23.30 H new ATOM 0 HG3 GLU A 18 -7.334 -4.962 -10.189 1.00 23.30 H new ATOM 224 N GLU A 19 -5.931 -1.055 -11.690 1.00 72.20 N ATOM 225 CA GLU A 19 -5.889 0.372 -11.980 1.00 74.20 C ATOM 226 C GLU A 19 -4.567 0.753 -12.640 1.00 72.40 C ATOM 227 O GLU A 19 -4.547 1.413 -13.680 1.00 50.40 O ATOM 228 CB GLU A 19 -6.087 1.186 -10.700 1.00 72.50 C ATOM 229 CG GLU A 19 -7.519 1.178 -10.190 1.00 44.10 C ATOM 230 CD GLU A 19 -8.516 1.616 -11.250 1.00 44.20 C ATOM 231 OE1 GLU A 19 -8.720 2.839 -11.400 1.00 74.20 O ATOM 232 OE2 GLU A 19 -9.093 0.737 -11.920 1.00 64.40 O ATOM 0 H GLU A 19 -6.060 -1.278 -10.703 1.00 72.20 H new ATOM 0 HA GLU A 19 -6.701 0.599 -12.671 1.00 74.20 H new ATOM 0 HB2 GLU A 19 -5.431 0.792 -9.924 1.00 72.50 H new ATOM 0 HB3 GLU A 19 -5.781 2.216 -10.883 1.00 72.50 H new ATOM 0 HG2 GLU A 19 -7.774 0.175 -9.848 1.00 44.10 H new ATOM 0 HG3 GLU A 19 -7.598 1.839 -9.327 1.00 44.10 H new ATOM 239 N ASP A 20 -3.464 0.332 -12.030 1.00 75.40 N ATOM 240 CA ASP A 20 -2.137 0.628 -12.560 1.00 53.10 C ATOM 241 C ASP A 20 -1.986 0.101 -13.980 1.00 14.30 C ATOM 242 O ASP A 20 -1.246 0.665 -14.790 1.00 35.50 O ATOM 243 CB ASP A 20 -1.060 0.018 -11.660 1.00 5.32 C ATOM 244 CG ASP A 20 0.168 0.900 -11.550 1.00 30.00 C ATOM 245 OD1 ASP A 20 0.405 1.708 -12.470 1.00 62.40 O ATOM 246 OD2 ASP A 20 0.894 0.782 -10.540 1.00 2.32 O ATOM 0 H ASP A 20 -3.462 -0.215 -11.169 1.00 75.40 H new ATOM 0 HA ASP A 20 -2.015 1.711 -12.581 1.00 53.10 H new ATOM 0 HB2 ASP A 20 -1.474 -0.150 -10.666 1.00 5.32 H new ATOM 0 HB3 ASP A 20 -0.770 -0.956 -12.054 1.00 5.32 H new ATOM 251 N LYS A 21 -2.693 -0.983 -14.280 1.00 12.40 N ATOM 252 CA LYS A 21 -2.639 -1.586 -15.610 1.00 3.34 C ATOM 253 C LYS A 21 -3.527 -0.828 -16.590 1.00 75.30 C ATOM 254 O LYS A 21 -3.279 -0.835 -17.800 1.00 11.10 O ATOM 255 CB LYS A 21 -3.069 -3.053 -15.540 1.00 3.22 C ATOM 256 CG LYS A 21 -1.920 -4.012 -15.280 1.00 65.20 C ATOM 257 CD LYS A 21 -1.749 -4.279 -13.790 1.00 3.02 C ATOM 258 CE LYS A 21 -0.661 -5.309 -13.530 1.00 41.20 C ATOM 259 NZ LYS A 21 -1.132 -6.695 -13.810 1.00 35.10 N ATOM 0 H LYS A 21 -3.309 -1.462 -13.623 1.00 12.40 H new ATOM 0 HA LYS A 21 -1.611 -1.530 -15.967 1.00 3.34 H new ATOM 0 HB2 LYS A 21 -3.812 -3.168 -14.751 1.00 3.22 H new ATOM 0 HB3 LYS A 21 -3.554 -3.326 -16.477 1.00 3.22 H new ATOM 0 HG2 LYS A 21 -2.102 -4.952 -15.802 1.00 65.20 H new ATOM 0 HG3 LYS A 21 -0.998 -3.596 -15.685 1.00 65.20 H new ATOM 0 HD2 LYS A 21 -1.501 -3.349 -13.279 1.00 3.02 H new ATOM 0 HD3 LYS A 21 -2.692 -4.631 -13.372 1.00 3.02 H new ATOM 0 HE2 LYS A 21 0.206 -5.087 -14.153 1.00 41.20 H new ATOM 0 HE3 LYS A 21 -0.335 -5.239 -12.492 1.00 41.20 H new ATOM 0 HZ1 LYS A 21 -0.362 -7.368 -13.621 1.00 35.10 H new ATOM 0 HZ2 LYS A 21 -1.943 -6.916 -13.198 1.00 35.10 H new ATOM 0 HZ3 LYS A 21 -1.420 -6.769 -14.807 1.00 35.10 H new ATOM 273 N ALA A 22 -4.561 -0.176 -16.070 1.00 74.20 N ATOM 274 CA ALA A 22 -5.484 0.585 -16.910 1.00 42.20 C ATOM 275 C ALA A 22 -5.122 2.067 -16.920 1.00 31.00 C ATOM 276 O ALA A 22 -5.990 2.925 -17.080 1.00 4.42 O ATOM 277 CB ALA A 22 -6.913 0.394 -16.420 1.00 74.20 C ATOM 0 H ALA A 22 -4.782 -0.158 -15.074 1.00 74.20 H new ATOM 0 HA ALA A 22 -5.404 0.212 -17.931 1.00 42.20 H new ATOM 0 HB1 ALA A 22 -7.594 0.965 -17.052 1.00 74.20 H new ATOM 0 HB2 ALA A 22 -7.175 -0.663 -16.466 1.00 74.20 H new ATOM 0 HB3 ALA A 22 -6.994 0.743 -15.391 1.00 74.20 H new ATOM 283 N LYS A 23 -3.836 2.361 -16.760 1.00 25.20 N ATOM 284 CA LYS A 23 -3.361 3.740 -16.750 1.00 32.30 C ATOM 285 C LYS A 23 -4.042 4.551 -15.650 1.00 1.05 C ATOM 286 O LYS A 23 -4.347 5.729 -15.840 1.00 72.30 O ATOM 287 CB LYS A 23 -3.614 4.390 -18.110 1.00 20.30 C ATOM 288 CG LYS A 23 -3.162 3.538 -19.290 1.00 52.50 C ATOM 289 CD LYS A 23 -1.649 3.540 -19.430 1.00 3.32 C ATOM 290 CE LYS A 23 -1.213 2.978 -20.770 1.00 12.30 C ATOM 291 NZ LYS A 23 -0.031 3.699 -21.320 1.00 65.10 N ATOM 0 H LYS A 23 -3.103 1.662 -16.635 1.00 25.20 H new ATOM 0 HA LYS A 23 -2.290 3.727 -16.549 1.00 32.30 H new ATOM 0 HB2 LYS A 23 -4.679 4.598 -18.211 1.00 20.30 H new ATOM 0 HB3 LYS A 23 -3.097 5.349 -18.146 1.00 20.30 H new ATOM 0 HG2 LYS A 23 -3.515 2.515 -19.158 1.00 52.50 H new ATOM 0 HG3 LYS A 23 -3.614 3.916 -20.207 1.00 52.50 H new ATOM 0 HD2 LYS A 23 -1.274 4.558 -19.322 1.00 3.32 H new ATOM 0 HD3 LYS A 23 -1.208 2.951 -18.626 1.00 3.32 H new ATOM 0 HE2 LYS A 23 -0.973 1.921 -20.659 1.00 12.30 H new ATOM 0 HE3 LYS A 23 -2.040 3.045 -21.477 1.00 12.30 H new ATOM 0 HZ1 LYS A 23 0.234 3.283 -22.236 1.00 65.10 H new ATOM 0 HZ2 LYS A 23 -0.267 4.703 -21.451 1.00 65.10 H new ATOM 0 HZ3 LYS A 23 0.766 3.614 -20.658 1.00 65.10 H new ATOM 305 N ASN A 24 -4.276 3.913 -14.510 1.00 3.23 N ATOM 306 CA ASN A 24 -4.919 4.577 -13.380 1.00 41.50 C ATOM 307 C ASN A 24 -4.017 4.558 -12.150 1.00 1.34 C ATOM 308 O ASN A 24 -4.204 3.747 -11.250 1.00 63.40 O ATOM 309 CB ASN A 24 -6.255 3.904 -13.060 1.00 31.10 C ATOM 310 CG ASN A 24 -7.421 4.568 -13.770 1.00 61.40 C ATOM 311 OD1 ASN A 24 -7.289 5.662 -14.320 1.00 1.52 O ATOM 312 ND2 ASN A 24 -8.573 3.906 -13.760 1.00 71.40 N ATOM 0 H ASN A 24 -4.031 2.937 -14.342 1.00 3.23 H new ATOM 0 HA ASN A 24 -5.100 5.616 -13.656 1.00 41.50 H new ATOM 0 HB2 ASN A 24 -6.208 2.854 -13.348 1.00 31.10 H new ATOM 0 HB3 ASN A 24 -6.425 3.932 -11.984 1.00 31.10 H new ATOM 0 HD21 ASN A 24 -9.393 4.302 -14.220 1.00 71.40 H new ATOM 0 HD22 ASN A 24 -8.638 3.002 -13.292 1.00 71.40 H new ATOM 319 N TYR A 25 -3.037 5.455 -12.130 1.00 53.20 N ATOM 320 CA TYR A 25 -2.105 5.542 -11.010 1.00 62.50 C ATOM 321 C TYR A 25 -2.769 6.182 -9.804 1.00 21.10 C ATOM 322 O TYR A 25 -2.470 5.831 -8.663 1.00 41.30 O ATOM 323 CB TYR A 25 -0.867 6.345 -11.420 1.00 10.20 C ATOM 324 CG TYR A 25 -0.272 5.921 -12.740 1.00 34.00 C ATOM 325 CD1 TYR A 25 -0.707 6.486 -13.930 1.00 1.34 C ATOM 326 CD2 TYR A 25 0.726 4.956 -12.800 1.00 13.30 C ATOM 327 CE1 TYR A 25 -0.166 6.100 -15.140 1.00 54.40 C ATOM 328 CE2 TYR A 25 1.272 4.565 -14.000 1.00 62.30 C ATOM 329 CZ TYR A 25 0.823 5.140 -15.170 1.00 71.20 C ATOM 330 OH TYR A 25 1.365 4.754 -16.380 1.00 23.40 O ATOM 0 H TYR A 25 -2.867 6.131 -12.875 1.00 53.20 H new ATOM 0 HA TYR A 25 -1.800 4.532 -10.736 1.00 62.50 H new ATOM 0 HB2 TYR A 25 -1.133 7.401 -11.475 1.00 10.20 H new ATOM 0 HB3 TYR A 25 -0.109 6.247 -10.643 1.00 10.20 H new ATOM 0 HD1 TYR A 25 -1.481 7.239 -13.909 1.00 1.34 H new ATOM 0 HD2 TYR A 25 1.080 4.504 -11.885 1.00 13.30 H new ATOM 0 HE1 TYR A 25 -0.516 6.548 -16.058 1.00 54.40 H new ATOM 0 HE2 TYR A 25 2.047 3.813 -14.026 1.00 62.30 H new ATOM 0 HH TYR A 25 1.700 5.543 -16.855 1.00 23.40 H new ATOM 340 N GLU A 26 -3.672 7.124 -10.050 1.00 21.10 N ATOM 341 CA GLU A 26 -4.379 7.814 -8.986 1.00 0.11 C ATOM 342 C GLU A 26 -5.235 6.839 -8.183 1.00 3.21 C ATOM 343 O GLU A 26 -5.187 6.823 -6.953 1.00 42.10 O ATOM 344 CB GLU A 26 -5.256 8.928 -9.559 1.00 63.00 C ATOM 345 CG GLU A 26 -5.342 10.155 -8.666 1.00 63.20 C ATOM 346 CD GLU A 26 -6.551 11.017 -8.974 1.00 12.30 C ATOM 347 OE1 GLU A 26 -6.909 11.133 -10.160 1.00 14.20 O ATOM 348 OE2 GLU A 26 -7.139 11.576 -8.025 1.00 20.40 O ATOM 0 H GLU A 26 -3.931 7.427 -10.989 1.00 21.10 H new ATOM 0 HA GLU A 26 -3.637 8.256 -8.320 1.00 0.11 H new ATOM 0 HB2 GLU A 26 -4.864 9.224 -10.532 1.00 63.00 H new ATOM 0 HB3 GLU A 26 -6.261 8.539 -9.725 1.00 63.00 H new ATOM 0 HG2 GLU A 26 -5.382 9.839 -7.624 1.00 63.20 H new ATOM 0 HG3 GLU A 26 -4.436 10.750 -8.784 1.00 63.20 H new ATOM 355 N GLU A 27 -6.017 6.027 -8.888 1.00 52.30 N ATOM 356 CA GLU A 27 -6.883 5.049 -8.241 1.00 41.20 C ATOM 357 C GLU A 27 -6.063 3.930 -7.609 1.00 44.50 C ATOM 358 O GLU A 27 -6.344 3.496 -6.492 1.00 31.30 O ATOM 359 CB GLU A 27 -7.871 4.464 -9.252 1.00 14.40 C ATOM 360 CG GLU A 27 -9.046 3.746 -8.609 1.00 52.40 C ATOM 361 CD GLU A 27 -9.973 4.691 -7.871 1.00 12.00 C ATOM 362 OE1 GLU A 27 -10.750 5.404 -8.540 1.00 51.00 O ATOM 363 OE2 GLU A 27 -9.923 4.718 -6.623 1.00 44.20 O ATOM 0 H GLU A 27 -6.068 6.027 -9.907 1.00 52.30 H new ATOM 0 HA GLU A 27 -7.438 5.558 -7.453 1.00 41.20 H new ATOM 0 HB2 GLU A 27 -8.249 5.267 -9.885 1.00 14.40 H new ATOM 0 HB3 GLU A 27 -7.342 3.767 -9.903 1.00 14.40 H new ATOM 0 HG2 GLU A 27 -9.609 3.217 -9.378 1.00 52.40 H new ATOM 0 HG3 GLU A 27 -8.672 2.994 -7.914 1.00 52.40 H new ATOM 370 N ALA A 28 -5.047 3.466 -8.330 1.00 44.30 N ATOM 371 CA ALA A 28 -4.186 2.398 -7.840 1.00 23.50 C ATOM 372 C ALA A 28 -3.501 2.798 -6.538 1.00 3.31 C ATOM 373 O ALA A 28 -3.454 2.021 -5.584 1.00 34.10 O ATOM 374 CB ALA A 28 -3.150 2.031 -8.892 1.00 53.20 C ATOM 0 H ALA A 28 -4.801 3.814 -9.257 1.00 44.30 H new ATOM 0 HA ALA A 28 -4.809 1.526 -7.639 1.00 23.50 H new ATOM 0 HB1 ALA A 28 -2.513 1.232 -8.512 1.00 53.20 H new ATOM 0 HB2 ALA A 28 -3.655 1.694 -9.798 1.00 53.20 H new ATOM 0 HB3 ALA A 28 -2.539 2.904 -9.121 1.00 53.20 H new ATOM 380 N LEU A 29 -2.971 4.017 -6.505 1.00 64.20 N ATOM 381 CA LEU A 29 -2.289 4.522 -5.319 1.00 11.30 C ATOM 382 C LEU A 29 -3.233 4.557 -4.121 1.00 52.30 C ATOM 383 O LEU A 29 -2.857 4.184 -3.010 1.00 10.50 O ATOM 384 CB LEU A 29 -1.730 5.921 -5.584 1.00 70.20 C ATOM 385 CG LEU A 29 -0.521 6.308 -4.730 1.00 50.10 C ATOM 386 CD1 LEU A 29 -0.096 7.739 -5.024 1.00 64.50 C ATOM 387 CD2 LEU A 29 -0.838 6.138 -3.252 1.00 52.10 C ATOM 0 H LEU A 29 -3.001 4.673 -7.286 1.00 64.20 H new ATOM 0 HA LEU A 29 -1.465 3.846 -5.089 1.00 11.30 H new ATOM 0 HB2 LEU A 29 -1.450 5.991 -6.635 1.00 70.20 H new ATOM 0 HB3 LEU A 29 -2.523 6.650 -5.416 1.00 70.20 H new ATOM 0 HG LEU A 29 0.307 5.645 -4.983 1.00 50.10 H new ATOM 0 HD11 LEU A 29 0.765 7.997 -4.407 1.00 64.50 H new ATOM 0 HD12 LEU A 29 0.171 7.830 -6.077 1.00 64.50 H new ATOM 0 HD13 LEU A 29 -0.919 8.417 -4.799 1.00 64.50 H new ATOM 0 HD21 LEU A 29 0.033 6.418 -2.659 1.00 52.10 H new ATOM 0 HD22 LEU A 29 -1.680 6.777 -2.985 1.00 52.10 H new ATOM 0 HD23 LEU A 29 -1.094 5.098 -3.052 1.00 52.10 H new ATOM 399 N ARG A 30 -4.461 5.009 -4.356 1.00 51.30 N ATOM 400 CA ARG A 30 -5.459 5.093 -3.296 1.00 11.10 C ATOM 401 C ARG A 30 -5.736 3.717 -2.698 1.00 51.50 C ATOM 402 O ARG A 30 -5.572 3.508 -1.496 1.00 10.30 O ATOM 403 CB ARG A 30 -6.757 5.697 -3.837 1.00 42.30 C ATOM 404 CG ARG A 30 -6.580 7.084 -4.432 1.00 63.20 C ATOM 405 CD ARG A 30 -6.894 8.170 -3.417 1.00 74.40 C ATOM 406 NE ARG A 30 -6.122 9.387 -3.660 1.00 15.40 N ATOM 407 CZ ARG A 30 -6.273 10.512 -2.965 1.00 2.14 C ATOM 408 NH1 ARG A 30 -7.165 10.580 -1.984 1.00 74.40 N ATOM 409 NH2 ARG A 30 -5.530 11.572 -3.251 1.00 33.00 N ATOM 0 H ARG A 30 -4.788 5.322 -5.270 1.00 51.30 H new ATOM 0 HA ARG A 30 -5.065 5.738 -2.510 1.00 11.10 H new ATOM 0 HB2 ARG A 30 -7.167 5.034 -4.598 1.00 42.30 H new ATOM 0 HB3 ARG A 30 -7.489 5.747 -3.031 1.00 42.30 H new ATOM 0 HG2 ARG A 30 -5.556 7.201 -4.786 1.00 63.20 H new ATOM 0 HG3 ARG A 30 -7.232 7.195 -5.299 1.00 63.20 H new ATOM 0 HD2 ARG A 30 -7.958 8.403 -3.453 1.00 74.40 H new ATOM 0 HD3 ARG A 30 -6.682 7.801 -2.414 1.00 74.40 H new ATOM 0 HE ARG A 30 -5.427 9.373 -4.406 1.00 15.40 H new ATOM 0 HH11 ARG A 30 -7.739 9.767 -1.759 1.00 74.40 H new ATOM 0 HH12 ARG A 30 -7.276 11.445 -1.455 1.00 74.40 H new ATOM 0 HH21 ARG A 30 -4.843 11.525 -4.003 1.00 33.00 H new ATOM 0 HH22 ARG A 30 -5.645 12.434 -2.719 1.00 33.00 H new ATOM 423 N LEU A 31 -6.155 2.783 -3.545 1.00 64.50 N ATOM 424 CA LEU A 31 -6.454 1.427 -3.100 1.00 65.20 C ATOM 425 C LEU A 31 -5.219 0.768 -2.494 1.00 63.20 C ATOM 426 O LEU A 31 -5.325 -0.057 -1.586 1.00 54.20 O ATOM 427 CB LEU A 31 -6.973 0.586 -4.269 1.00 25.40 C ATOM 428 CG LEU A 31 -8.410 0.889 -4.697 1.00 65.40 C ATOM 429 CD1 LEU A 31 -8.631 0.484 -6.145 1.00 13.30 C ATOM 430 CD2 LEU A 31 -9.397 0.177 -3.784 1.00 51.40 C ATOM 0 H LEU A 31 -6.295 2.940 -4.543 1.00 64.50 H new ATOM 0 HA LEU A 31 -7.226 1.486 -2.333 1.00 65.20 H new ATOM 0 HB2 LEU A 31 -6.316 0.737 -5.125 1.00 25.40 H new ATOM 0 HB3 LEU A 31 -6.906 -0.467 -3.997 1.00 25.40 H new ATOM 0 HG LEU A 31 -8.577 1.963 -4.613 1.00 65.40 H new ATOM 0 HD11 LEU A 31 -9.659 0.707 -6.432 1.00 13.30 H new ATOM 0 HD12 LEU A 31 -7.946 1.039 -6.787 1.00 13.30 H new ATOM 0 HD13 LEU A 31 -8.447 -0.585 -6.256 1.00 13.30 H new ATOM 0 HD21 LEU A 31 -10.415 0.403 -4.102 1.00 51.40 H new ATOM 0 HD22 LEU A 31 -9.231 -0.899 -3.837 1.00 51.40 H new ATOM 0 HD23 LEU A 31 -9.254 0.516 -2.758 1.00 51.40 H new ATOM 442 N TYR A 32 -4.048 1.138 -3.002 1.00 53.10 N ATOM 443 CA TYR A 32 -2.792 0.583 -2.511 1.00 51.30 C ATOM 444 C TYR A 32 -2.560 0.968 -1.053 1.00 52.30 C ATOM 445 O TYR A 32 -2.135 0.145 -0.243 1.00 12.40 O ATOM 446 CB TYR A 32 -1.624 1.070 -3.370 1.00 52.20 C ATOM 447 CG TYR A 32 -1.305 0.157 -4.533 1.00 70.10 C ATOM 448 CD1 TYR A 32 -1.236 -1.219 -4.361 1.00 41.20 C ATOM 449 CD2 TYR A 32 -1.072 0.673 -5.802 1.00 3.22 C ATOM 450 CE1 TYR A 32 -0.945 -2.057 -5.421 1.00 41.00 C ATOM 451 CE2 TYR A 32 -0.781 -0.158 -6.867 1.00 12.30 C ATOM 452 CZ TYR A 32 -0.718 -1.522 -6.671 1.00 51.40 C ATOM 453 OH TYR A 32 -0.427 -2.352 -7.729 1.00 74.10 O ATOM 0 H TYR A 32 -3.943 1.820 -3.753 1.00 53.10 H new ATOM 0 HA TYR A 32 -2.854 -0.503 -2.576 1.00 51.30 H new ATOM 0 HB2 TYR A 32 -1.855 2.064 -3.752 1.00 52.20 H new ATOM 0 HB3 TYR A 32 -0.738 1.168 -2.742 1.00 52.20 H new ATOM 0 HD1 TYR A 32 -1.413 -1.642 -3.383 1.00 41.20 H new ATOM 0 HD2 TYR A 32 -1.119 1.741 -5.958 1.00 3.22 H new ATOM 0 HE1 TYR A 32 -0.896 -3.125 -5.271 1.00 41.00 H new ATOM 0 HE2 TYR A 32 -0.604 0.258 -7.848 1.00 12.30 H new ATOM 0 HH TYR A 32 -0.296 -1.816 -8.539 1.00 74.10 H new ATOM 463 N GLN A 33 -2.842 2.225 -0.726 1.00 53.20 N ATOM 464 CA GLN A 33 -2.665 2.720 0.634 1.00 72.20 C ATOM 465 C GLN A 33 -3.528 1.934 1.616 1.00 3.14 C ATOM 466 O GLN A 33 -3.020 1.349 2.573 1.00 33.30 O ATOM 467 CB GLN A 33 -3.013 4.208 0.708 1.00 55.20 C ATOM 468 CG GLN A 33 -1.832 5.124 0.434 1.00 33.40 C ATOM 469 CD GLN A 33 -2.237 6.580 0.320 1.00 33.10 C ATOM 470 OE1 GLN A 33 -1.894 7.401 1.171 1.00 52.10 O ATOM 471 NE2 GLN A 33 -2.973 6.909 -0.735 1.00 22.30 N ATOM 0 H GLN A 33 -3.194 2.920 -1.385 1.00 53.20 H new ATOM 0 HA GLN A 33 -1.619 2.585 0.909 1.00 72.20 H new ATOM 0 HB2 GLN A 33 -3.804 4.424 -0.011 1.00 55.20 H new ATOM 0 HB3 GLN A 33 -3.412 4.430 1.698 1.00 55.20 H new ATOM 0 HG2 GLN A 33 -1.100 5.016 1.234 1.00 33.40 H new ATOM 0 HG3 GLN A 33 -1.343 4.814 -0.489 1.00 33.40 H new ATOM 0 HE21 GLN A 33 -3.235 6.197 -1.416 1.00 22.30 H new ATOM 0 HE22 GLN A 33 -3.276 7.874 -0.864 1.00 22.30 H new ATOM 480 N HIS A 34 -4.834 1.927 1.373 1.00 5.33 N ATOM 481 CA HIS A 34 -5.768 1.213 2.237 1.00 35.10 C ATOM 482 C HIS A 34 -5.442 -0.276 2.277 1.00 74.10 C ATOM 483 O HIS A 34 -5.633 -0.936 3.299 1.00 74.10 O ATOM 484 CB HIS A 34 -7.204 1.420 1.752 1.00 32.40 C ATOM 485 CG HIS A 34 -8.200 1.534 2.863 1.00 41.10 C ATOM 486 ND1 HIS A 34 -8.021 2.360 3.953 1.00 20.30 N ATOM 487 CD2 HIS A 34 -9.393 0.921 3.050 1.00 63.30 C ATOM 488 CE1 HIS A 34 -9.060 2.250 4.762 1.00 75.00 C ATOM 489 NE2 HIS A 34 -9.906 1.384 4.237 1.00 13.30 N ATOM 0 H HIS A 34 -5.270 2.407 0.586 1.00 5.33 H new ATOM 0 HA HIS A 34 -5.671 1.615 3.246 1.00 35.10 H new ATOM 0 HB2 HIS A 34 -7.246 2.323 1.143 1.00 32.40 H new ATOM 0 HB3 HIS A 34 -7.485 0.587 1.107 1.00 32.40 H new ATOM 0 HD2 HIS A 34 -9.855 0.202 2.389 1.00 63.30 H new ATOM 0 HE1 HIS A 34 -9.194 2.779 5.694 1.00 75.00 H new ATOM 0 HE2 HIS A 34 -10.797 1.104 4.647 1.00 13.30 H new ATOM 498 N ALA A 35 -4.950 -0.800 1.159 1.00 75.40 N ATOM 499 CA ALA A 35 -4.598 -2.212 1.067 1.00 51.10 C ATOM 500 C ALA A 35 -3.514 -2.574 2.076 1.00 60.40 C ATOM 501 O ALA A 35 -3.729 -3.399 2.964 1.00 62.30 O ATOM 502 CB ALA A 35 -4.142 -2.550 -0.344 1.00 73.10 C ATOM 0 H ALA A 35 -4.786 -0.268 0.304 1.00 75.40 H new ATOM 0 HA ALA A 35 -5.486 -2.799 1.301 1.00 51.10 H new ATOM 0 HB1 ALA A 35 -3.882 -3.607 -0.399 1.00 73.10 H new ATOM 0 HB2 ALA A 35 -4.947 -2.337 -1.047 1.00 73.10 H new ATOM 0 HB3 ALA A 35 -3.269 -1.948 -0.598 1.00 73.10 H new ATOM 508 N VAL A 36 -2.348 -1.951 1.934 1.00 70.20 N ATOM 509 CA VAL A 36 -1.230 -2.208 2.833 1.00 22.50 C ATOM 510 C VAL A 36 -1.597 -1.875 4.275 1.00 74.50 C ATOM 511 O VAL A 36 -1.135 -2.529 5.210 1.00 52.20 O ATOM 512 CB VAL A 36 0.013 -1.393 2.431 1.00 52.00 C ATOM 513 CG1 VAL A 36 1.221 -1.820 3.251 1.00 42.40 C ATOM 514 CG2 VAL A 36 0.291 -1.541 0.943 1.00 52.50 C ATOM 0 H VAL A 36 -2.154 -1.265 1.205 1.00 70.20 H new ATOM 0 HA VAL A 36 -0.999 -3.270 2.755 1.00 22.50 H new ATOM 0 HB VAL A 36 -0.184 -0.341 2.638 1.00 52.00 H new ATOM 0 HG11 VAL A 36 2.089 -1.233 2.952 1.00 42.40 H new ATOM 0 HG12 VAL A 36 1.019 -1.656 4.309 1.00 42.40 H new ATOM 0 HG13 VAL A 36 1.422 -2.878 3.080 1.00 42.40 H new ATOM 0 HG21 VAL A 36 1.173 -0.958 0.678 1.00 52.50 H new ATOM 0 HG22 VAL A 36 0.466 -2.591 0.708 1.00 52.50 H new ATOM 0 HG23 VAL A 36 -0.567 -1.180 0.375 1.00 52.50 H new ATOM 524 N GLU A 37 -2.430 -0.855 4.448 1.00 64.40 N ATOM 525 CA GLU A 37 -2.860 -0.435 5.777 1.00 44.20 C ATOM 526 C GLU A 37 -3.592 -1.565 6.494 1.00 25.20 C ATOM 527 O GLU A 37 -3.429 -1.756 7.699 1.00 62.30 O ATOM 528 CB GLU A 37 -3.766 0.794 5.678 1.00 20.00 C ATOM 529 CG GLU A 37 -3.005 2.109 5.640 1.00 52.20 C ATOM 530 CD GLU A 37 -3.851 3.285 6.086 1.00 31.40 C ATOM 531 OE1 GLU A 37 -4.291 3.290 7.255 1.00 70.40 O ATOM 532 OE2 GLU A 37 -4.073 4.201 5.267 1.00 31.10 O ATOM 0 H GLU A 37 -2.821 -0.303 3.684 1.00 64.40 H new ATOM 0 HA GLU A 37 -1.972 -0.177 6.355 1.00 44.20 H new ATOM 0 HB2 GLU A 37 -4.379 0.712 4.780 1.00 20.00 H new ATOM 0 HB3 GLU A 37 -4.447 0.802 6.529 1.00 20.00 H new ATOM 0 HG2 GLU A 37 -2.126 2.035 6.281 1.00 52.20 H new ATOM 0 HG3 GLU A 37 -2.646 2.288 4.626 1.00 52.20 H new ATOM 539 N TYR A 38 -4.398 -2.310 5.745 1.00 51.50 N ATOM 540 CA TYR A 38 -5.155 -3.421 6.310 1.00 24.10 C ATOM 541 C TYR A 38 -4.242 -4.605 6.610 1.00 62.00 C ATOM 542 O TYR A 38 -4.477 -5.359 7.554 1.00 42.40 O ATOM 543 CB TYR A 38 -6.266 -3.849 5.349 1.00 53.40 C ATOM 544 CG TYR A 38 -7.577 -3.132 5.580 1.00 45.00 C ATOM 545 CD1 TYR A 38 -7.637 -1.744 5.602 1.00 73.50 C ATOM 546 CD2 TYR A 38 -8.754 -3.843 5.775 1.00 14.20 C ATOM 547 CE1 TYR A 38 -8.834 -1.085 5.813 1.00 31.20 C ATOM 548 CE2 TYR A 38 -9.955 -3.191 5.986 1.00 1.20 C ATOM 549 CZ TYR A 38 -9.989 -1.813 6.004 1.00 43.00 C ATOM 550 OH TYR A 38 -11.180 -1.161 6.214 1.00 33.30 O ATOM 0 H TYR A 38 -4.544 -2.165 4.746 1.00 51.50 H new ATOM 0 HA TYR A 38 -5.602 -3.085 7.245 1.00 24.10 H new ATOM 0 HB2 TYR A 38 -5.939 -3.669 4.325 1.00 53.40 H new ATOM 0 HB3 TYR A 38 -6.427 -4.923 5.448 1.00 53.40 H new ATOM 0 HD1 TYR A 38 -6.734 -1.171 5.452 1.00 73.50 H new ATOM 0 HD2 TYR A 38 -8.731 -4.923 5.762 1.00 14.20 H new ATOM 0 HE1 TYR A 38 -8.864 -0.006 5.828 1.00 31.20 H new ATOM 0 HE2 TYR A 38 -10.862 -3.758 6.136 1.00 1.20 H new ATOM 0 HH TYR A 38 -11.897 -1.819 6.330 1.00 33.30 H new ATOM 560 N PHE A 39 -3.200 -4.762 5.800 1.00 4.44 N ATOM 561 CA PHE A 39 -2.251 -5.855 5.979 1.00 61.40 C ATOM 562 C PHE A 39 -1.504 -5.715 7.301 1.00 54.20 C ATOM 563 O PHE A 39 -1.467 -6.646 8.106 1.00 50.00 O ATOM 564 CB PHE A 39 -1.256 -5.889 4.818 1.00 2.41 C ATOM 565 CG PHE A 39 -1.704 -6.745 3.668 1.00 15.00 C ATOM 566 CD1 PHE A 39 -2.174 -8.030 3.887 1.00 20.00 C ATOM 567 CD2 PHE A 39 -1.656 -6.265 2.369 1.00 10.20 C ATOM 568 CE1 PHE A 39 -2.587 -8.821 2.831 1.00 1.34 C ATOM 569 CE2 PHE A 39 -2.068 -7.050 1.310 1.00 54.50 C ATOM 570 CZ PHE A 39 -2.533 -8.330 1.541 1.00 23.10 C ATOM 0 H PHE A 39 -2.991 -4.147 5.014 1.00 4.44 H new ATOM 0 HA PHE A 39 -2.810 -6.790 5.996 1.00 61.40 H new ATOM 0 HB2 PHE A 39 -1.092 -4.872 4.461 1.00 2.41 H new ATOM 0 HB3 PHE A 39 -0.297 -6.258 5.183 1.00 2.41 H new ATOM 0 HD1 PHE A 39 -2.218 -8.418 4.894 1.00 20.00 H new ATOM 0 HD2 PHE A 39 -1.292 -5.265 2.183 1.00 10.20 H new ATOM 0 HE1 PHE A 39 -2.951 -9.821 3.014 1.00 1.34 H new ATOM 0 HE2 PHE A 39 -2.027 -6.663 0.302 1.00 54.50 H new ATOM 0 HZ PHE A 39 -2.854 -8.946 0.714 1.00 23.10 H new ATOM 580 N LEU A 40 -0.908 -4.547 7.518 1.00 64.30 N ATOM 581 CA LEU A 40 -0.161 -4.285 8.743 1.00 2.41 C ATOM 582 C LEU A 40 -1.060 -4.419 9.968 1.00 31.10 C ATOM 583 O LEU A 40 -0.645 -4.944 11.001 1.00 12.20 O ATOM 584 CB LEU A 40 0.457 -2.887 8.700 1.00 0.21 C ATOM 585 CG LEU A 40 1.287 -2.584 7.451 1.00 4.00 C ATOM 586 CD1 LEU A 40 1.905 -1.197 7.545 1.00 41.30 C ATOM 587 CD2 LEU A 40 2.366 -3.639 7.262 1.00 62.30 C ATOM 0 H LEU A 40 -0.928 -3.767 6.861 1.00 64.30 H new ATOM 0 HA LEU A 40 0.636 -5.024 8.817 1.00 2.41 H new ATOM 0 HB2 LEU A 40 -0.343 -2.150 8.774 1.00 0.21 H new ATOM 0 HB3 LEU A 40 1.090 -2.759 9.578 1.00 0.21 H new ATOM 0 HG LEU A 40 0.627 -2.607 6.584 1.00 4.00 H new ATOM 0 HD11 LEU A 40 2.492 -0.999 6.648 1.00 41.30 H new ATOM 0 HD12 LEU A 40 1.115 -0.452 7.634 1.00 41.30 H new ATOM 0 HD13 LEU A 40 2.552 -1.146 8.421 1.00 41.30 H new ATOM 0 HD21 LEU A 40 2.947 -3.409 6.369 1.00 62.30 H new ATOM 0 HD22 LEU A 40 3.024 -3.647 8.131 1.00 62.30 H new ATOM 0 HD23 LEU A 40 1.901 -4.619 7.150 1.00 62.30 H new ATOM 599 N HIS A 41 -2.294 -3.941 9.845 1.00 60.40 N ATOM 600 CA HIS A 41 -3.252 -4.007 10.942 1.00 3.42 C ATOM 601 C HIS A 41 -3.514 -5.453 11.349 1.00 51.40 C ATOM 602 O HIS A 41 -3.781 -5.741 12.516 1.00 64.30 O ATOM 603 CB HIS A 41 -4.566 -3.332 10.541 1.00 54.30 C ATOM 604 CG HIS A 41 -4.618 -1.875 10.882 1.00 64.30 C ATOM 605 ND1 HIS A 41 -4.400 -0.877 9.955 1.00 75.40 N ATOM 606 CD2 HIS A 41 -4.866 -1.248 12.056 1.00 64.00 C ATOM 607 CE1 HIS A 41 -4.511 0.300 10.545 1.00 65.40 C ATOM 608 NE2 HIS A 41 -4.794 0.103 11.819 1.00 12.20 N ATOM 0 H HIS A 41 -2.654 -3.504 8.997 1.00 60.40 H new ATOM 0 HA HIS A 41 -2.826 -3.479 11.795 1.00 3.42 H new ATOM 0 HB2 HIS A 41 -4.714 -3.451 9.468 1.00 54.30 H new ATOM 0 HB3 HIS A 41 -5.393 -3.842 11.035 1.00 54.30 H new ATOM 0 HD1 HIS A 41 -4.187 -1.025 8.969 1.00 75.40 H new ATOM 0 HD2 HIS A 41 -5.080 -1.722 13.003 1.00 64.00 H new ATOM 0 HE1 HIS A 41 -4.391 1.260 10.066 1.00 65.40 H new ATOM 617 N ALA A 42 -3.436 -6.359 10.380 1.00 44.40 N ATOM 618 CA ALA A 42 -3.664 -7.775 10.638 1.00 1.23 C ATOM 619 C ALA A 42 -2.473 -8.402 11.354 1.00 3.42 C ATOM 620 O ALA A 42 -2.630 -9.337 12.139 1.00 24.30 O ATOM 621 CB ALA A 42 -3.945 -8.509 9.335 1.00 32.00 C ATOM 0 H ALA A 42 -3.217 -6.137 9.409 1.00 44.40 H new ATOM 0 HA ALA A 42 -4.534 -7.865 11.289 1.00 1.23 H new ATOM 0 HB1 ALA A 42 -4.114 -9.566 9.542 1.00 32.00 H new ATOM 0 HB2 ALA A 42 -4.832 -8.086 8.863 1.00 32.00 H new ATOM 0 HB3 ALA A 42 -3.091 -8.402 8.666 1.00 32.00 H new ATOM 627 N ILE A 43 -1.282 -7.882 11.078 1.00 72.40 N ATOM 628 CA ILE A 43 -0.064 -8.391 11.696 1.00 22.20 C ATOM 629 C ILE A 43 0.056 -7.921 13.142 1.00 63.50 C ATOM 630 O ILE A 43 0.277 -8.723 14.049 1.00 63.20 O ATOM 631 CB ILE A 43 1.190 -7.947 10.918 1.00 13.50 C ATOM 632 CG1 ILE A 43 1.023 -8.240 9.426 1.00 12.30 C ATOM 633 CG2 ILE A 43 2.428 -8.643 11.465 1.00 70.10 C ATOM 634 CD1 ILE A 43 1.983 -7.468 8.547 1.00 23.20 C ATOM 0 H ILE A 43 -1.134 -7.108 10.430 1.00 72.40 H new ATOM 0 HA ILE A 43 -0.129 -9.479 11.674 1.00 22.20 H new ATOM 0 HB ILE A 43 1.316 -6.872 11.046 1.00 13.50 H new ATOM 0 HG12 ILE A 43 1.165 -9.307 9.255 1.00 12.30 H new ATOM 0 HG13 ILE A 43 0.001 -8.003 9.130 1.00 12.30 H new ATOM 0 HG21 ILE A 43 3.305 -8.319 10.905 1.00 70.10 H new ATOM 0 HG22 ILE A 43 2.554 -8.387 12.517 1.00 70.10 H new ATOM 0 HG23 ILE A 43 2.313 -9.722 11.365 1.00 70.10 H new ATOM 0 HD11 ILE A 43 1.807 -7.726 7.503 1.00 23.20 H new ATOM 0 HD12 ILE A 43 1.826 -6.399 8.688 1.00 23.20 H new ATOM 0 HD13 ILE A 43 3.008 -7.723 8.816 1.00 23.20 H new ATOM 646 N LYS A 44 -0.091 -6.616 13.349 1.00 35.00 N ATOM 647 CA LYS A 44 0.001 -6.039 14.685 1.00 33.30 C ATOM 648 C LYS A 44 -1.064 -6.626 15.605 1.00 41.30 C ATOM 649 O LYS A 44 -0.853 -6.758 16.811 1.00 21.40 O ATOM 650 CB LYS A 44 -0.148 -4.518 14.618 1.00 60.40 C ATOM 651 CG LYS A 44 -1.424 -4.062 13.929 1.00 61.30 C ATOM 652 CD LYS A 44 -1.977 -2.796 14.562 1.00 41.00 C ATOM 653 CE LYS A 44 -1.579 -1.559 13.775 1.00 41.10 C ATOM 654 NZ LYS A 44 -0.119 -1.281 13.877 1.00 2.32 N ATOM 0 H LYS A 44 -0.274 -5.939 12.609 1.00 35.00 H new ATOM 0 HA LYS A 44 0.982 -6.283 15.092 1.00 33.30 H new ATOM 0 HB2 LYS A 44 -0.127 -4.114 15.630 1.00 60.40 H new ATOM 0 HB3 LYS A 44 0.709 -4.100 14.090 1.00 60.40 H new ATOM 0 HG2 LYS A 44 -1.225 -3.884 12.872 1.00 61.30 H new ATOM 0 HG3 LYS A 44 -2.171 -4.854 13.984 1.00 61.30 H new ATOM 0 HD2 LYS A 44 -3.064 -2.860 14.616 1.00 41.00 H new ATOM 0 HD3 LYS A 44 -1.612 -2.710 15.585 1.00 41.00 H new ATOM 0 HE2 LYS A 44 -1.851 -1.692 12.728 1.00 41.10 H new ATOM 0 HE3 LYS A 44 -2.139 -0.699 14.143 1.00 41.10 H new ATOM 0 HZ1 LYS A 44 0.101 -0.393 13.383 1.00 2.32 H new ATOM 0 HZ2 LYS A 44 0.149 -1.196 14.878 1.00 2.32 H new ATOM 0 HZ3 LYS A 44 0.414 -2.060 13.441 1.00 2.32 H new ATOM 668 N TYR A 45 -2.209 -6.977 15.029 1.00 72.40 N ATOM 669 CA TYR A 45 -3.308 -7.551 15.798 1.00 61.00 C ATOM 670 C TYR A 45 -3.102 -9.047 16.009 1.00 22.20 C ATOM 671 O TYR A 45 -2.756 -9.488 17.105 1.00 54.30 O ATOM 672 CB TYR A 45 -4.639 -7.303 15.087 1.00 22.30 C ATOM 673 CG TYR A 45 -5.317 -6.016 15.500 1.00 71.10 C ATOM 674 CD1 TYR A 45 -4.588 -4.842 15.652 1.00 65.20 C ATOM 675 CD2 TYR A 45 -6.685 -5.974 15.738 1.00 12.20 C ATOM 676 CE1 TYR A 45 -5.204 -3.664 16.030 1.00 64.10 C ATOM 677 CE2 TYR A 45 -7.308 -4.799 16.116 1.00 1.34 C ATOM 678 CZ TYR A 45 -6.563 -3.648 16.260 1.00 0.35 C ATOM 679 OH TYR A 45 -7.180 -2.477 16.636 1.00 24.30 O ATOM 0 H TYR A 45 -2.400 -6.874 14.032 1.00 72.40 H new ATOM 0 HA TYR A 45 -3.329 -7.065 16.773 1.00 61.00 H new ATOM 0 HB2 TYR A 45 -4.468 -7.284 14.011 1.00 22.30 H new ATOM 0 HB3 TYR A 45 -5.310 -8.138 15.289 1.00 22.30 H new ATOM 0 HD1 TYR A 45 -3.523 -4.851 15.472 1.00 65.20 H new ATOM 0 HD2 TYR A 45 -7.272 -6.874 15.626 1.00 12.20 H new ATOM 0 HE1 TYR A 45 -4.624 -2.761 16.145 1.00 64.10 H new ATOM 0 HE2 TYR A 45 -8.373 -4.783 16.297 1.00 1.34 H new ATOM 0 HH TYR A 45 -8.139 -2.637 16.757 1.00 24.30 H new ATOM 689 N GLU A 46 -3.316 -9.823 14.952 1.00 10.50 N ATOM 690 CA GLU A 46 -3.154 -11.270 15.021 1.00 5.02 C ATOM 691 C GLU A 46 -2.380 -11.790 13.814 1.00 10.30 C ATOM 692 O GLU A 46 -2.875 -11.760 12.687 1.00 13.10 O ATOM 693 CB GLU A 46 -4.520 -11.950 15.099 1.00 40.10 C ATOM 694 CG GLU A 46 -5.330 -11.550 16.322 1.00 70.40 C ATOM 695 CD GLU A 46 -4.666 -11.970 17.620 1.00 30.00 C ATOM 696 OE1 GLU A 46 -4.597 -13.190 17.890 1.00 2.11 O ATOM 697 OE2 GLU A 46 -4.214 -11.070 18.367 1.00 53.10 O ATOM 0 H GLU A 46 -3.602 -9.474 14.037 1.00 10.50 H new ATOM 0 HA GLU A 46 -2.586 -11.506 15.921 1.00 5.02 H new ATOM 0 HB2 GLU A 46 -5.089 -11.708 14.201 1.00 40.10 H new ATOM 0 HB3 GLU A 46 -4.379 -13.031 15.105 1.00 40.10 H new ATOM 0 HG2 GLU A 46 -5.471 -10.469 16.323 1.00 70.40 H new ATOM 0 HG3 GLU A 46 -6.320 -12.001 16.262 1.00 70.40 H new ATOM 704 N ALA A 47 -1.162 -12.260 14.057 1.00 21.20 N ATOM 705 CA ALA A 47 -0.320 -12.790 12.989 1.00 60.20 C ATOM 706 C ALA A 47 -0.211 -14.300 13.074 1.00 1.41 C ATOM 707 O ALA A 47 -0.341 -14.890 14.150 1.00 53.20 O ATOM 708 CB ALA A 47 1.062 -12.150 13.048 1.00 51.00 C ATOM 0 H ALA A 47 -0.735 -12.285 14.983 1.00 21.20 H new ATOM 0 HA ALA A 47 -0.784 -12.544 12.034 1.00 60.20 H new ATOM 0 HB1 ALA A 47 1.683 -12.551 12.247 1.00 51.00 H new ATOM 0 HB2 ALA A 47 0.969 -11.071 12.928 1.00 51.00 H new ATOM 0 HB3 ALA A 47 1.524 -12.370 14.011 1.00 51.00 H new ATOM 714 N HIS A 48 0.028 -14.940 11.931 1.00 62.40 N ATOM 715 CA HIS A 48 0.154 -16.390 11.875 1.00 43.50 C ATOM 716 C HIS A 48 1.404 -16.860 12.613 1.00 3.21 C ATOM 717 O HIS A 48 1.317 -17.530 13.639 1.00 23.10 O ATOM 718 CB HIS A 48 0.199 -16.860 10.422 1.00 50.50 C ATOM 719 CG HIS A 48 -0.118 -18.320 10.256 1.00 62.00 C ATOM 720 ND1 HIS A 48 -1.378 -18.780 9.943 1.00 2.34 N ATOM 721 CD2 HIS A 48 0.670 -19.410 10.360 1.00 45.10 C ATOM 722 CE1 HIS A 48 -1.351 -20.100 9.863 1.00 13.30 C ATOM 723 NE2 HIS A 48 -0.120 -20.510 10.111 1.00 52.00 N ATOM 0 H HIS A 48 0.138 -14.473 11.031 1.00 62.40 H new ATOM 0 HA HIS A 48 -0.717 -16.824 12.365 1.00 43.50 H new ATOM 0 HB2 HIS A 48 -0.509 -16.273 9.836 1.00 50.50 H new ATOM 0 HB3 HIS A 48 1.191 -16.663 10.015 1.00 50.50 H new ATOM 0 HD2 HIS A 48 1.724 -19.418 10.595 1.00 45.10 H new ATOM 0 HE1 HIS A 48 -2.194 -20.736 9.634 1.00 13.30 H new ATOM 0 HE2 HIS A 48 0.193 -21.481 10.117 1.00 52.00 H new ATOM 732 N SER A 49 2.568 -16.490 12.085 1.00 1.20 N ATOM 733 CA SER A 49 3.837 -16.870 12.693 1.00 52.00 C ATOM 734 C SER A 49 4.978 -16.020 12.155 1.00 53.40 C ATOM 735 O SER A 49 4.759 -15.100 11.359 1.00 41.50 O ATOM 736 CB SER A 49 4.128 -18.350 12.433 1.00 61.50 C ATOM 737 OG SER A 49 3.600 -19.170 13.465 1.00 14.30 O ATOM 0 H SER A 49 2.657 -15.928 11.238 1.00 1.20 H new ATOM 0 HA SER A 49 3.758 -16.702 13.767 1.00 52.00 H new ATOM 0 HB2 SER A 49 3.698 -18.644 11.476 1.00 61.50 H new ATOM 0 HB3 SER A 49 5.205 -18.503 12.359 1.00 61.50 H new ATOM 0 HG SER A 49 2.734 -18.815 13.754 1.00 14.30 H new ATOM 743 N ASP A 50 6.195 -16.320 12.595 1.00 72.40 N ATOM 744 CA ASP A 50 7.371 -15.570 12.156 1.00 43.10 C ATOM 745 C ASP A 50 7.574 -15.710 10.652 1.00 54.10 C ATOM 746 O ASP A 50 7.753 -14.720 9.943 1.00 74.30 O ATOM 747 CB ASP A 50 8.615 -16.060 12.900 1.00 74.30 C ATOM 748 CG ASP A 50 9.661 -14.970 13.053 1.00 44.50 C ATOM 749 OD1 ASP A 50 9.692 -14.060 12.207 1.00 42.10 O ATOM 750 OD2 ASP A 50 10.450 -15.040 14.019 1.00 53.50 O ATOM 0 H ASP A 50 6.395 -17.074 13.253 1.00 72.40 H new ATOM 0 HA ASP A 50 7.209 -14.516 12.384 1.00 43.10 H new ATOM 0 HB2 ASP A 50 8.326 -16.424 13.886 1.00 74.30 H new ATOM 0 HB3 ASP A 50 9.048 -16.904 12.363 1.00 74.30 H new ATOM 755 N LYS A 51 7.546 -16.950 10.170 1.00 70.40 N ATOM 756 CA LYS A 51 7.727 -17.220 8.748 1.00 32.30 C ATOM 757 C LYS A 51 6.646 -16.540 7.921 1.00 11.20 C ATOM 758 O LYS A 51 6.941 -15.840 6.947 1.00 41.10 O ATOM 759 CB LYS A 51 7.704 -18.730 8.489 1.00 51.30 C ATOM 760 CG LYS A 51 8.643 -19.170 7.377 1.00 33.00 C ATOM 761 CD LYS A 51 8.069 -20.340 6.593 1.00 13.10 C ATOM 762 CE LYS A 51 7.405 -19.880 5.307 1.00 63.20 C ATOM 763 NZ LYS A 51 5.933 -19.720 5.466 1.00 2.52 N ATOM 0 H LYS A 51 7.400 -17.781 10.743 1.00 70.40 H new ATOM 0 HA LYS A 51 8.695 -16.817 8.449 1.00 32.30 H new ATOM 0 HB2 LYS A 51 7.972 -19.252 9.408 1.00 51.30 H new ATOM 0 HB3 LYS A 51 6.688 -19.032 8.236 1.00 51.30 H new ATOM 0 HG2 LYS A 51 8.827 -18.334 6.702 1.00 33.00 H new ATOM 0 HG3 LYS A 51 9.605 -19.453 7.803 1.00 33.00 H new ATOM 0 HD2 LYS A 51 8.865 -21.047 6.359 1.00 13.10 H new ATOM 0 HD3 LYS A 51 7.342 -20.870 7.209 1.00 13.10 H new ATOM 0 HE2 LYS A 51 7.841 -18.932 4.993 1.00 63.20 H new ATOM 0 HE3 LYS A 51 7.608 -20.602 4.516 1.00 63.20 H new ATOM 0 HZ1 LYS A 51 5.519 -19.405 4.566 1.00 2.52 H new ATOM 0 HZ2 LYS A 51 5.512 -20.631 5.741 1.00 2.52 H new ATOM 0 HZ3 LYS A 51 5.738 -19.012 6.203 1.00 2.52 H new ATOM 777 N ALA A 52 5.392 -16.730 8.315 1.00 21.00 N ATOM 778 CA ALA A 52 4.266 -16.130 7.610 1.00 54.30 C ATOM 779 C ALA A 52 4.367 -14.610 7.610 1.00 31.10 C ATOM 780 O ALA A 52 4.101 -13.960 6.599 1.00 71.20 O ATOM 781 CB ALA A 52 2.953 -16.580 8.237 1.00 42.00 C ATOM 0 H ALA A 52 5.129 -17.297 9.121 1.00 21.00 H new ATOM 0 HA ALA A 52 4.293 -16.467 6.574 1.00 54.30 H new ATOM 0 HB1 ALA A 52 2.119 -16.125 7.702 1.00 42.00 H new ATOM 0 HB2 ALA A 52 2.874 -17.665 8.177 1.00 42.00 H new ATOM 0 HB3 ALA A 52 2.924 -16.272 9.282 1.00 42.00 H new ATOM 787 N LYS A 53 4.754 -14.050 8.751 1.00 14.20 N ATOM 788 CA LYS A 53 4.890 -12.600 8.883 1.00 11.30 C ATOM 789 C LYS A 53 5.920 -12.060 7.897 1.00 61.00 C ATOM 790 O LYS A 53 5.806 -10.930 7.422 1.00 3.15 O ATOM 791 CB LYS A 53 5.293 -12.240 10.312 1.00 75.20 C ATOM 792 CG LYS A 53 4.110 -12.010 11.238 1.00 3.23 C ATOM 793 CD LYS A 53 4.453 -12.360 12.677 1.00 71.30 C ATOM 794 CE LYS A 53 5.352 -11.300 13.305 1.00 62.30 C ATOM 795 NZ LYS A 53 4.580 -10.330 14.130 1.00 12.40 N ATOM 0 H LYS A 53 4.979 -14.574 9.597 1.00 14.20 H new ATOM 0 HA LYS A 53 3.927 -12.143 8.657 1.00 11.30 H new ATOM 0 HB2 LYS A 53 5.912 -13.040 10.719 1.00 75.20 H new ATOM 0 HB3 LYS A 53 5.908 -11.340 10.291 1.00 75.20 H new ATOM 0 HG2 LYS A 53 3.799 -10.967 11.180 1.00 3.23 H new ATOM 0 HG3 LYS A 53 3.265 -12.614 10.907 1.00 3.23 H new ATOM 0 HD2 LYS A 53 3.536 -12.454 13.259 1.00 71.30 H new ATOM 0 HD3 LYS A 53 4.952 -13.329 12.709 1.00 71.30 H new ATOM 0 HE2 LYS A 53 6.105 -11.785 13.926 1.00 62.30 H new ATOM 0 HE3 LYS A 53 5.884 -10.764 12.519 1.00 62.30 H new ATOM 0 HZ1 LYS A 53 5.229 -9.627 14.538 1.00 12.40 H new ATOM 0 HZ2 LYS A 53 3.878 -9.848 13.533 1.00 12.40 H new ATOM 0 HZ3 LYS A 53 4.092 -10.837 14.896 1.00 12.40 H new ATOM 809 N GLU A 54 6.926 -12.880 7.593 1.00 5.25 N ATOM 810 CA GLU A 54 7.977 -12.480 6.663 1.00 40.10 C ATOM 811 C GLU A 54 7.429 -12.350 5.246 1.00 54.20 C ATOM 812 O GLU A 54 7.747 -11.400 4.531 1.00 60.20 O ATOM 813 CB GLU A 54 9.121 -13.500 6.689 1.00 62.50 C ATOM 814 CG GLU A 54 9.981 -13.410 7.939 1.00 74.20 C ATOM 815 CD GLU A 54 10.529 -12.020 8.176 1.00 22.10 C ATOM 816 OE1 GLU A 54 11.125 -11.450 7.239 1.00 72.10 O ATOM 817 OE2 GLU A 54 10.362 -11.500 9.299 1.00 63.40 O ATOM 0 H GLU A 54 7.034 -13.819 7.976 1.00 5.25 H new ATOM 0 HA GLU A 54 8.357 -11.507 6.976 1.00 40.10 H new ATOM 0 HB2 GLU A 54 8.704 -14.504 6.615 1.00 62.50 H new ATOM 0 HB3 GLU A 54 9.751 -13.351 5.812 1.00 62.50 H new ATOM 0 HG2 GLU A 54 9.391 -13.715 8.803 1.00 74.20 H new ATOM 0 HG3 GLU A 54 10.810 -14.113 7.855 1.00 74.20 H new ATOM 824 N SER A 55 6.602 -13.310 4.846 1.00 51.50 N ATOM 825 CA SER A 55 6.009 -13.300 3.514 1.00 74.30 C ATOM 826 C SER A 55 5.162 -12.050 3.302 1.00 14.50 C ATOM 827 O SER A 55 5.170 -11.460 2.222 1.00 33.40 O ATOM 828 CB SER A 55 5.153 -14.550 3.308 1.00 30.40 C ATOM 829 OG SER A 55 3.920 -14.450 3.999 1.00 40.30 O ATOM 0 H SER A 55 6.327 -14.104 5.425 1.00 51.50 H new ATOM 0 HA SER A 55 6.818 -13.295 2.784 1.00 74.30 H new ATOM 0 HB2 SER A 55 4.965 -14.693 2.244 1.00 30.40 H new ATOM 0 HB3 SER A 55 5.697 -15.428 3.657 1.00 30.40 H new ATOM 0 HG SER A 55 4.090 -14.270 4.947 1.00 40.30 H new ATOM 835 N ILE A 56 4.433 -11.660 4.339 1.00 15.00 N ATOM 836 CA ILE A 56 3.581 -10.480 4.267 1.00 1.20 C ATOM 837 C ILE A 56 4.413 -9.202 4.253 1.00 53.30 C ATOM 838 O ILE A 56 4.097 -8.251 3.539 1.00 12.20 O ATOM 839 CB ILE A 56 2.594 -10.420 5.449 1.00 40.30 C ATOM 840 CG1 ILE A 56 1.865 -11.760 5.596 1.00 70.40 C ATOM 841 CG2 ILE A 56 1.599 -9.290 5.256 1.00 64.10 C ATOM 842 CD1 ILE A 56 0.909 -11.800 6.769 1.00 45.20 C ATOM 0 H ILE A 56 4.414 -12.142 5.238 1.00 15.00 H new ATOM 0 HA ILE A 56 3.017 -10.557 3.337 1.00 1.20 H new ATOM 0 HB ILE A 56 3.156 -10.227 6.363 1.00 40.30 H new ATOM 0 HG12 ILE A 56 1.312 -11.967 4.679 1.00 70.40 H new ATOM 0 HG13 ILE A 56 2.602 -12.555 5.710 1.00 70.40 H new ATOM 0 HG21 ILE A 56 0.910 -9.263 6.100 1.00 64.10 H new ATOM 0 HG22 ILE A 56 2.133 -8.342 5.193 1.00 64.10 H new ATOM 0 HG23 ILE A 56 1.038 -9.452 4.336 1.00 64.10 H new ATOM 0 HD11 ILE A 56 0.428 -12.777 6.813 1.00 45.20 H new ATOM 0 HD12 ILE A 56 1.460 -11.625 7.693 1.00 45.20 H new ATOM 0 HD13 ILE A 56 0.150 -11.027 6.646 1.00 45.20 H new ATOM 854 N ARG A 57 5.478 -9.188 5.048 1.00 42.00 N ATOM 855 CA ARG A 57 6.357 -8.026 5.128 1.00 22.30 C ATOM 856 C ARG A 57 6.956 -7.703 3.763 1.00 73.30 C ATOM 857 O ARG A 57 6.811 -6.590 3.259 1.00 3.12 O ATOM 858 CB ARG A 57 7.474 -8.275 6.143 1.00 33.40 C ATOM 859 CG ARG A 57 7.825 -7.052 6.973 1.00 55.40 C ATOM 860 CD ARG A 57 8.908 -7.363 7.994 1.00 33.30 C ATOM 861 NE ARG A 57 8.355 -7.919 9.226 1.00 61.10 N ATOM 862 CZ ARG A 57 9.011 -7.955 10.383 1.00 25.50 C ATOM 863 NH1 ARG A 57 10.243 -7.469 10.471 1.00 51.30 N ATOM 864 NH2 ARG A 57 8.434 -8.479 11.456 1.00 73.20 N ATOM 0 H ARG A 57 5.753 -9.967 5.646 1.00 42.00 H new ATOM 0 HA ARG A 57 5.763 -7.173 5.455 1.00 22.30 H new ATOM 0 HB2 ARG A 57 7.174 -9.083 6.810 1.00 33.40 H new ATOM 0 HB3 ARG A 57 8.365 -8.613 5.614 1.00 33.40 H new ATOM 0 HG2 ARG A 57 8.162 -6.250 6.316 1.00 55.40 H new ATOM 0 HG3 ARG A 57 6.933 -6.691 7.485 1.00 55.40 H new ATOM 0 HD2 ARG A 57 9.619 -8.069 7.565 1.00 33.30 H new ATOM 0 HD3 ARG A 57 9.462 -6.453 8.224 1.00 33.30 H new ATOM 0 HE ARG A 57 7.410 -8.302 9.198 1.00 61.10 H new ATOM 0 HH11 ARG A 57 10.692 -7.065 9.649 1.00 51.30 H new ATOM 0 HH12 ARG A 57 10.741 -7.499 11.361 1.00 51.30 H new ATOM 0 HH21 ARG A 57 7.488 -8.854 11.394 1.00 73.20 H new ATOM 0 HH22 ARG A 57 8.937 -8.507 12.343 1.00 73.20 H new ATOM 878 N ALA A 58 7.628 -8.684 3.169 1.00 62.40 N ATOM 879 CA ALA A 58 8.247 -8.504 1.861 1.00 30.30 C ATOM 880 C ALA A 58 7.216 -8.075 0.824 1.00 44.40 C ATOM 881 O ALA A 58 7.512 -7.285 -0.072 1.00 63.10 O ATOM 882 CB ALA A 58 8.938 -9.786 1.423 1.00 1.04 C ATOM 0 H ALA A 58 7.758 -9.612 3.573 1.00 62.40 H new ATOM 0 HA ALA A 58 8.993 -7.714 1.944 1.00 30.30 H new ATOM 0 HB1 ALA A 58 9.396 -9.637 0.445 1.00 1.04 H new ATOM 0 HB2 ALA A 58 9.708 -10.050 2.148 1.00 1.04 H new ATOM 0 HB3 ALA A 58 8.206 -10.591 1.362 1.00 1.04 H new ATOM 888 N LYS A 59 6.001 -8.597 0.957 1.00 1.44 N ATOM 889 CA LYS A 59 4.922 -8.266 0.035 1.00 15.10 C ATOM 890 C LYS A 59 4.393 -6.862 0.305 1.00 74.30 C ATOM 891 O LYS A 59 3.930 -6.176 -0.607 1.00 63.40 O ATOM 892 CB LYS A 59 3.787 -9.285 0.157 1.00 74.10 C ATOM 893 CG LYS A 59 3.943 -10.480 -0.765 1.00 24.20 C ATOM 894 CD LYS A 59 3.301 -10.230 -2.119 1.00 64.20 C ATOM 895 CE LYS A 59 3.364 -11.460 -3.004 1.00 21.30 C ATOM 896 NZ LYS A 59 2.502 -12.560 -2.488 1.00 4.42 N ATOM 0 H LYS A 59 5.740 -9.251 1.695 1.00 1.44 H new ATOM 0 HA LYS A 59 5.319 -8.298 -0.980 1.00 15.10 H new ATOM 0 HB2 LYS A 59 3.734 -9.636 1.188 1.00 74.10 H new ATOM 0 HB3 LYS A 59 2.840 -8.790 -0.060 1.00 74.10 H new ATOM 0 HG2 LYS A 59 5.002 -10.701 -0.899 1.00 24.20 H new ATOM 0 HG3 LYS A 59 3.490 -11.358 -0.304 1.00 24.20 H new ATOM 0 HD2 LYS A 59 2.261 -9.934 -1.980 1.00 64.20 H new ATOM 0 HD3 LYS A 59 3.805 -9.400 -2.613 1.00 64.20 H new ATOM 0 HE2 LYS A 59 3.051 -11.197 -4.014 1.00 21.30 H new ATOM 0 HE3 LYS A 59 4.395 -11.807 -3.070 1.00 21.30 H new ATOM 0 HZ1 LYS A 59 2.397 -13.291 -3.220 1.00 4.42 H new ATOM 0 HZ2 LYS A 59 2.941 -12.977 -1.642 1.00 4.42 H new ATOM 0 HZ3 LYS A 59 1.566 -12.181 -2.241 1.00 4.42 H new ATOM 910 N CYS A 60 4.466 -6.439 1.563 1.00 33.30 N ATOM 911 CA CYS A 60 3.996 -5.115 1.953 1.00 40.30 C ATOM 912 C CYS A 60 5.020 -4.046 1.587 1.00 1.34 C ATOM 913 O CYS A 60 4.663 -2.961 1.128 1.00 54.20 O ATOM 914 CB CYS A 60 3.712 -5.073 3.455 1.00 20.30 C ATOM 915 SG CYS A 60 2.253 -6.016 3.958 1.00 42.20 S ATOM 0 H CYS A 60 4.846 -6.994 2.330 1.00 33.30 H new ATOM 0 HA CYS A 60 3.073 -4.910 1.411 1.00 40.30 H new ATOM 0 HB2 CYS A 60 4.581 -5.457 3.989 1.00 20.30 H new ATOM 0 HB3 CYS A 60 3.583 -4.035 3.761 1.00 20.30 H new ATOM 0 HG CYS A 60 2.470 -7.284 3.769 1.00 42.20 H new ATOM 921 N VAL A 61 6.295 -4.361 1.793 1.00 20.20 N ATOM 922 CA VAL A 61 7.372 -3.429 1.483 1.00 20.10 C ATOM 923 C VAL A 61 7.382 -3.078 -0.001 1.00 32.20 C ATOM 924 O VAL A 61 7.594 -1.924 -0.374 1.00 3.53 O ATOM 925 CB VAL A 61 8.746 -4.007 1.874 1.00 75.40 C ATOM 926 CG1 VAL A 61 9.838 -2.963 1.690 1.00 21.30 C ATOM 927 CG2 VAL A 61 8.724 -4.520 3.307 1.00 53.10 C ATOM 0 H VAL A 61 6.607 -5.255 2.173 1.00 20.20 H new ATOM 0 HA VAL A 61 7.189 -2.527 2.066 1.00 20.10 H new ATOM 0 HB VAL A 61 8.965 -4.848 1.216 1.00 75.40 H new ATOM 0 HG11 VAL A 61 10.801 -3.390 1.971 1.00 21.30 H new ATOM 0 HG12 VAL A 61 9.871 -2.651 0.646 1.00 21.30 H new ATOM 0 HG13 VAL A 61 9.626 -2.100 2.321 1.00 21.30 H new ATOM 0 HG21 VAL A 61 9.703 -4.924 3.564 1.00 53.10 H new ATOM 0 HG22 VAL A 61 8.481 -3.700 3.983 1.00 53.10 H new ATOM 0 HG23 VAL A 61 7.972 -5.303 3.401 1.00 53.10 H new ATOM 937 N GLN A 62 7.152 -4.080 -0.842 1.00 41.30 N ATOM 938 CA GLN A 62 7.135 -3.877 -2.286 1.00 1.43 C ATOM 939 C GLN A 62 5.882 -3.119 -2.713 1.00 63.30 C ATOM 940 O GLN A 62 5.924 -2.295 -3.627 1.00 70.50 O ATOM 941 CB GLN A 62 7.204 -5.222 -3.012 1.00 73.40 C ATOM 942 CG GLN A 62 7.701 -5.115 -4.444 1.00 54.20 C ATOM 943 CD GLN A 62 7.517 -6.403 -5.223 1.00 23.30 C ATOM 944 OE1 GLN A 62 6.689 -6.480 -6.131 1.00 31.40 O ATOM 945 NE2 GLN A 62 8.290 -7.424 -4.870 1.00 71.30 N ATOM 0 H GLN A 62 6.975 -5.041 -0.549 1.00 41.30 H new ATOM 0 HA GLN A 62 8.008 -3.282 -2.555 1.00 1.43 H new ATOM 0 HB2 GLN A 62 7.861 -5.892 -2.457 1.00 73.40 H new ATOM 0 HB3 GLN A 62 6.213 -5.676 -3.013 1.00 73.40 H new ATOM 0 HG2 GLN A 62 7.169 -4.309 -4.950 1.00 54.20 H new ATOM 0 HG3 GLN A 62 8.757 -4.846 -4.439 1.00 54.20 H new ATOM 0 HE21 GLN A 62 8.963 -7.316 -4.111 1.00 71.30 H new ATOM 0 HE22 GLN A 62 8.211 -8.316 -5.358 1.00 71.30 H new ATOM 954 N TYR A 63 4.768 -3.404 -2.046 1.00 61.00 N ATOM 955 CA TYR A 63 3.503 -2.748 -2.357 1.00 75.10 C ATOM 956 C TYR A 63 3.580 -1.253 -2.065 1.00 71.10 C ATOM 957 O TYR A 63 2.963 -0.443 -2.757 1.00 75.10 O ATOM 958 CB TYR A 63 2.366 -3.379 -1.551 1.00 4.13 C ATOM 959 CG TYR A 63 1.695 -4.537 -2.255 1.00 5.23 C ATOM 960 CD1 TYR A 63 1.351 -4.453 -3.599 1.00 4.24 C ATOM 961 CD2 TYR A 63 1.404 -5.713 -1.576 1.00 72.40 C ATOM 962 CE1 TYR A 63 0.737 -5.509 -4.246 1.00 22.30 C ATOM 963 CE2 TYR A 63 0.791 -6.774 -2.216 1.00 63.30 C ATOM 964 CZ TYR A 63 0.460 -6.667 -3.550 1.00 10.10 C ATOM 965 OH TYR A 63 -0.151 -7.720 -4.190 1.00 14.20 O ATOM 0 H TYR A 63 4.716 -4.084 -1.288 1.00 61.00 H new ATOM 0 HA TYR A 63 3.304 -2.883 -3.420 1.00 75.10 H new ATOM 0 HB2 TYR A 63 2.758 -3.724 -0.594 1.00 4.13 H new ATOM 0 HB3 TYR A 63 1.619 -2.615 -1.333 1.00 4.13 H new ATOM 0 HD1 TYR A 63 1.567 -3.548 -4.147 1.00 4.24 H new ATOM 0 HD2 TYR A 63 1.661 -5.800 -0.531 1.00 72.40 H new ATOM 0 HE1 TYR A 63 0.476 -5.428 -5.291 1.00 22.30 H new ATOM 0 HE2 TYR A 63 0.573 -7.682 -1.674 1.00 63.30 H new ATOM 0 HH TYR A 63 -0.274 -8.460 -3.559 1.00 14.20 H new ATOM 975 N LEU A 64 4.342 -0.894 -1.037 1.00 11.10 N ATOM 976 CA LEU A 64 4.500 0.504 -0.654 1.00 11.40 C ATOM 977 C LEU A 64 5.372 1.248 -1.661 1.00 24.20 C ATOM 978 O LEU A 64 5.114 2.408 -1.982 1.00 15.40 O ATOM 979 CB LEU A 64 5.114 0.606 0.744 1.00 24.20 C ATOM 980 CG LEU A 64 4.107 0.593 1.895 1.00 62.10 C ATOM 981 CD1 LEU A 64 4.712 -0.065 3.125 1.00 33.10 C ATOM 982 CD2 LEU A 64 3.648 2.007 2.216 1.00 3.11 C ATOM 0 H LEU A 64 4.860 -1.552 -0.454 1.00 11.10 H new ATOM 0 HA LEU A 64 3.513 0.966 -0.644 1.00 11.40 H new ATOM 0 HB2 LEU A 64 5.809 -0.222 0.880 1.00 24.20 H new ATOM 0 HB3 LEU A 64 5.697 1.525 0.802 1.00 24.20 H new ATOM 0 HG LEU A 64 3.238 0.011 1.587 1.00 62.10 H new ATOM 0 HD11 LEU A 64 3.981 -0.065 3.934 1.00 33.10 H new ATOM 0 HD12 LEU A 64 4.992 -1.092 2.888 1.00 33.10 H new ATOM 0 HD13 LEU A 64 5.597 0.490 3.436 1.00 33.10 H new ATOM 0 HD21 LEU A 64 2.932 1.979 3.037 1.00 3.11 H new ATOM 0 HD22 LEU A 64 4.508 2.612 2.504 1.00 3.11 H new ATOM 0 HD23 LEU A 64 3.175 2.444 1.337 1.00 3.11 H new ATOM 994 N ASP A 65 6.403 0.572 -2.155 1.00 71.30 N ATOM 995 CA ASP A 65 7.313 1.168 -3.126 1.00 34.40 C ATOM 996 C ASP A 65 6.567 1.569 -4.395 1.00 2.03 C ATOM 997 O ASP A 65 6.875 2.589 -5.012 1.00 21.40 O ATOM 998 CB ASP A 65 8.438 0.190 -3.470 1.00 2.54 C ATOM 999 CG ASP A 65 9.466 0.797 -4.404 1.00 20.10 C ATOM 1000 OD1 ASP A 65 9.195 0.864 -5.622 1.00 35.10 O ATOM 1001 OD2 ASP A 65 10.542 1.206 -3.919 1.00 14.30 O ATOM 0 H ASP A 65 6.630 -0.389 -1.899 1.00 71.30 H new ATOM 0 HA ASP A 65 7.744 2.064 -2.680 1.00 34.40 H new ATOM 0 HB2 ASP A 65 8.930 -0.131 -2.552 1.00 2.54 H new ATOM 0 HB3 ASP A 65 8.013 -0.701 -3.932 1.00 2.54 H new ATOM 1006 N ARG A 66 5.585 0.760 -4.778 1.00 2.22 N ATOM 1007 CA ARG A 66 4.795 1.031 -5.973 1.00 52.20 C ATOM 1008 C ARG A 66 3.865 2.220 -5.753 1.00 3.44 C ATOM 1009 O ARG A 66 3.677 3.047 -6.645 1.00 72.20 O ATOM 1010 CB ARG A 66 3.979 -0.203 -6.361 1.00 30.10 C ATOM 1011 CG ARG A 66 4.712 -1.146 -7.301 1.00 15.10 C ATOM 1012 CD ARG A 66 4.617 -0.679 -8.744 1.00 75.30 C ATOM 1013 NE ARG A 66 3.356 -1.076 -9.366 1.00 11.50 N ATOM 1014 CZ ARG A 66 3.109 -2.300 -9.828 1.00 3.24 C ATOM 1015 NH1 ARG A 66 4.034 -3.249 -9.740 1.00 25.10 N ATOM 1016 NH2 ARG A 66 1.935 -2.577 -10.370 1.00 71.30 N ATOM 0 H ARG A 66 5.317 -0.088 -4.278 1.00 2.22 H new ATOM 0 HA ARG A 66 5.482 1.275 -6.784 1.00 52.20 H new ATOM 0 HB2 ARG A 66 3.704 -0.746 -5.457 1.00 30.10 H new ATOM 0 HB3 ARG A 66 3.051 0.119 -6.834 1.00 30.10 H new ATOM 0 HG2 ARG A 66 5.760 -1.213 -7.007 1.00 15.10 H new ATOM 0 HG3 ARG A 66 4.292 -2.148 -7.213 1.00 15.10 H new ATOM 0 HD2 ARG A 66 4.714 0.406 -8.781 1.00 75.30 H new ATOM 0 HD3 ARG A 66 5.449 -1.093 -9.314 1.00 75.30 H new ATOM 0 HE ARG A 66 2.621 -0.374 -9.451 1.00 11.50 H new ATOM 0 HH11 ARG A 66 4.939 -3.042 -9.317 1.00 25.10 H new ATOM 0 HH12 ARG A 66 3.840 -4.185 -10.095 1.00 25.10 H new ATOM 0 HH21 ARG A 66 1.219 -1.853 -10.434 1.00 71.30 H new ATOM 0 HH22 ARG A 66 1.745 -3.515 -10.724 1.00 71.30 H new ATOM 1030 N ALA A 67 3.288 2.300 -4.558 1.00 70.40 N ATOM 1031 CA ALA A 67 2.378 3.388 -4.220 1.00 22.10 C ATOM 1032 C ALA A 67 3.073 4.740 -4.336 1.00 30.20 C ATOM 1033 O ALA A 67 2.552 5.666 -4.959 1.00 34.40 O ATOM 1034 CB ALA A 67 1.825 3.196 -2.816 1.00 12.10 C ATOM 0 H ALA A 67 3.435 1.624 -3.808 1.00 70.40 H new ATOM 0 HA ALA A 67 1.551 3.371 -4.930 1.00 22.10 H new ATOM 0 HB1 ALA A 67 1.147 4.015 -2.577 1.00 12.10 H new ATOM 0 HB2 ALA A 67 1.284 2.251 -2.764 1.00 12.10 H new ATOM 0 HB3 ALA A 67 2.647 3.184 -2.100 1.00 12.10 H new ATOM 1040 N GLU A 68 4.252 4.848 -3.733 1.00 52.20 N ATOM 1041 CA GLU A 68 5.019 6.088 -3.769 1.00 42.50 C ATOM 1042 C GLU A 68 5.358 6.476 -5.205 1.00 64.30 C ATOM 1043 O GLU A 68 5.332 7.653 -5.563 1.00 41.20 O ATOM 1044 CB GLU A 68 6.303 5.943 -2.951 1.00 73.40 C ATOM 1045 CG GLU A 68 7.186 4.792 -3.404 1.00 2.04 C ATOM 1046 CD GLU A 68 8.544 4.799 -2.729 1.00 20.40 C ATOM 1047 OE1 GLU A 68 9.443 5.519 -3.212 1.00 11.10 O ATOM 1048 OE2 GLU A 68 8.709 4.084 -1.718 1.00 30.10 O ATOM 0 H GLU A 68 4.697 4.092 -3.213 1.00 52.20 H new ATOM 0 HA GLU A 68 4.407 6.877 -3.333 1.00 42.50 H new ATOM 0 HB2 GLU A 68 6.870 6.872 -3.013 1.00 73.40 H new ATOM 0 HB3 GLU A 68 6.042 5.799 -1.903 1.00 73.40 H new ATOM 0 HG2 GLU A 68 6.684 3.848 -3.192 1.00 2.04 H new ATOM 0 HG3 GLU A 68 7.321 4.846 -4.484 1.00 2.04 H new ATOM 1055 N LYS A 69 5.676 5.477 -6.023 1.00 1.43 N ATOM 1056 CA LYS A 69 6.020 5.714 -7.420 1.00 62.30 C ATOM 1057 C LYS A 69 4.828 6.282 -8.184 1.00 41.10 C ATOM 1058 O LYS A 69 4.992 7.093 -9.095 1.00 21.20 O ATOM 1059 CB LYS A 69 6.490 4.416 -8.078 1.00 51.10 C ATOM 1060 CG LYS A 69 6.988 4.602 -9.502 1.00 42.00 C ATOM 1061 CD LYS A 69 6.666 3.393 -10.360 1.00 63.40 C ATOM 1062 CE LYS A 69 7.864 2.468 -10.490 1.00 61.10 C ATOM 1063 NZ LYS A 69 7.857 1.399 -9.462 1.00 4.14 N ATOM 0 H LYS A 69 5.702 4.497 -5.742 1.00 1.43 H new ATOM 0 HA LYS A 69 6.830 6.443 -7.451 1.00 62.30 H new ATOM 0 HB2 LYS A 69 7.289 3.982 -7.476 1.00 51.10 H new ATOM 0 HB3 LYS A 69 5.667 3.701 -8.080 1.00 51.10 H new ATOM 0 HG2 LYS A 69 6.531 5.491 -9.936 1.00 42.00 H new ATOM 0 HG3 LYS A 69 8.065 4.769 -9.494 1.00 42.00 H new ATOM 0 HD2 LYS A 69 5.830 2.848 -9.923 1.00 63.40 H new ATOM 0 HD3 LYS A 69 6.350 3.722 -11.350 1.00 63.40 H new ATOM 0 HE2 LYS A 69 7.867 2.016 -11.482 1.00 61.10 H new ATOM 0 HE3 LYS A 69 8.782 3.049 -10.402 1.00 61.10 H new ATOM 0 HZ1 LYS A 69 8.692 0.791 -9.588 1.00 4.14 H new ATOM 0 HZ2 LYS A 69 7.880 1.828 -8.515 1.00 4.14 H new ATOM 0 HZ3 LYS A 69 6.994 0.827 -9.562 1.00 4.14 H new ATOM 1077 N LEU A 70 3.629 5.851 -7.805 1.00 45.50 N ATOM 1078 CA LEU A 70 2.409 6.317 -8.454 1.00 34.20 C ATOM 1079 C LEU A 70 2.157 7.789 -8.143 1.00 14.20 C ATOM 1080 O LEU A 70 1.649 8.533 -8.982 1.00 54.20 O ATOM 1081 CB LEU A 70 1.214 5.474 -8.005 1.00 51.40 C ATOM 1082 CG LEU A 70 0.907 4.263 -8.887 1.00 64.10 C ATOM 1083 CD1 LEU A 70 2.059 3.272 -8.852 1.00 72.30 C ATOM 1084 CD2 LEU A 70 -0.387 3.596 -8.444 1.00 24.40 C ATOM 0 H LEU A 70 3.476 5.180 -7.052 1.00 45.50 H new ATOM 0 HA LEU A 70 2.535 6.209 -9.531 1.00 34.20 H new ATOM 0 HB2 LEU A 70 1.396 5.127 -6.988 1.00 51.40 H new ATOM 0 HB3 LEU A 70 0.331 6.112 -7.971 1.00 51.40 H new ATOM 0 HG LEU A 70 0.782 4.607 -9.914 1.00 64.10 H new ATOM 0 HD11 LEU A 70 1.823 2.417 -9.485 1.00 72.30 H new ATOM 0 HD12 LEU A 70 2.965 3.755 -9.217 1.00 72.30 H new ATOM 0 HD13 LEU A 70 2.216 2.933 -7.828 1.00 72.30 H new ATOM 0 HD21 LEU A 70 -0.590 2.736 -9.082 1.00 24.40 H new ATOM 0 HD22 LEU A 70 -0.290 3.265 -7.410 1.00 24.40 H new ATOM 0 HD23 LEU A 70 -1.209 4.308 -8.522 1.00 24.40 H new ATOM 1096 N LYS A 71 2.515 8.202 -6.931 1.00 60.40 N ATOM 1097 CA LYS A 71 2.327 9.585 -6.509 1.00 54.50 C ATOM 1098 C LYS A 71 3.152 10.534 -7.372 1.00 64.00 C ATOM 1099 O LYS A 71 2.642 11.535 -7.874 1.00 20.40 O ATOM 1100 CB LYS A 71 2.713 9.748 -5.037 1.00 45.20 C ATOM 1101 CG LYS A 71 1.817 10.711 -4.276 1.00 72.20 C ATOM 1102 CD LYS A 71 2.426 12.102 -4.209 1.00 24.20 C ATOM 1103 CE LYS A 71 3.120 12.342 -2.878 1.00 73.40 C ATOM 1104 NZ LYS A 71 3.404 13.786 -2.652 1.00 42.40 N ATOM 0 H LYS A 71 2.937 7.599 -6.225 1.00 60.40 H new ATOM 0 HA LYS A 71 1.273 9.836 -6.631 1.00 54.50 H new ATOM 0 HB2 LYS A 71 2.680 8.773 -4.551 1.00 45.20 H new ATOM 0 HB3 LYS A 71 3.743 10.099 -4.977 1.00 45.20 H new ATOM 0 HG2 LYS A 71 0.842 10.762 -4.760 1.00 72.20 H new ATOM 0 HG3 LYS A 71 1.652 10.336 -3.266 1.00 72.20 H new ATOM 0 HD2 LYS A 71 3.142 12.227 -5.022 1.00 24.20 H new ATOM 0 HD3 LYS A 71 1.646 12.849 -4.354 1.00 24.20 H new ATOM 0 HE2 LYS A 71 2.495 11.964 -2.069 1.00 73.40 H new ATOM 0 HE3 LYS A 71 4.053 11.780 -2.849 1.00 73.40 H new ATOM 0 HZ1 LYS A 71 3.877 13.907 -1.734 1.00 42.40 H new ATOM 0 HZ2 LYS A 71 4.022 14.141 -3.410 1.00 42.40 H new ATOM 0 HZ3 LYS A 71 2.511 14.320 -2.654 1.00 42.40 H new ATOM 1118 N ASP A 72 4.431 10.212 -7.539 1.00 50.00 N ATOM 1119 CA ASP A 72 5.328 11.035 -8.342 1.00 52.40 C ATOM 1120 C ASP A 72 4.891 11.051 -9.803 1.00 41.10 C ATOM 1121 O ASP A 72 5.091 12.039 -10.510 1.00 43.40 O ATOM 1122 CB ASP A 72 6.763 10.519 -8.232 1.00 11.20 C ATOM 1123 CG ASP A 72 7.783 11.641 -8.223 1.00 60.10 C ATOM 1124 OD1 ASP A 72 7.629 12.576 -7.410 1.00 34.20 O ATOM 1125 OD2 ASP A 72 8.734 11.585 -9.031 1.00 60.30 O ATOM 0 H ASP A 72 4.869 9.387 -7.129 1.00 50.00 H new ATOM 0 HA ASP A 72 5.286 12.054 -7.958 1.00 52.40 H new ATOM 0 HB2 ASP A 72 6.866 9.931 -7.320 1.00 11.20 H new ATOM 0 HB3 ASP A 72 6.970 9.850 -9.067 1.00 11.20 H new ATOM 1130 N TYR A 73 4.293 9.951 -10.240 1.00 12.30 N ATOM 1131 CA TYR A 73 3.828 9.839 -11.620 1.00 1.25 C ATOM 1132 C TYR A 73 2.789 10.911 -11.930 1.00 12.10 C ATOM 1133 O TYR A 73 2.820 11.529 -13.000 1.00 12.00 O ATOM 1134 CB TYR A 73 3.237 8.451 -11.870 1.00 2.14 C ATOM 1135 CG TYR A 73 2.876 8.197 -13.320 1.00 11.30 C ATOM 1136 CD1 TYR A 73 1.799 8.846 -13.910 1.00 13.10 C ATOM 1137 CD2 TYR A 73 3.612 7.308 -14.090 1.00 34.40 C ATOM 1138 CE1 TYR A 73 1.466 8.616 -15.230 1.00 54.20 C ATOM 1139 CE2 TYR A 73 3.285 7.073 -15.410 1.00 51.20 C ATOM 1140 CZ TYR A 73 2.211 7.730 -15.980 1.00 33.40 C ATOM 1141 OH TYR A 73 1.883 7.498 -17.290 1.00 51.10 O ATOM 0 H TYR A 73 4.118 9.127 -9.665 1.00 12.30 H new ATOM 0 HA TYR A 73 4.683 9.985 -12.280 1.00 1.25 H new ATOM 0 HB2 TYR A 73 3.953 7.696 -11.545 1.00 2.14 H new ATOM 0 HB3 TYR A 73 2.345 8.329 -11.256 1.00 2.14 H new ATOM 0 HD1 TYR A 73 1.213 9.541 -13.327 1.00 13.10 H new ATOM 0 HD2 TYR A 73 4.453 6.792 -13.650 1.00 34.40 H new ATOM 0 HE1 TYR A 73 0.625 9.128 -15.674 1.00 54.20 H new ATOM 0 HE2 TYR A 73 3.867 6.377 -15.996 1.00 51.20 H new ATOM 0 HH TYR A 73 2.627 7.044 -17.738 1.00 51.10 H new ATOM 1151 N LEU A 74 1.868 11.125 -11.000 1.00 53.40 N ATOM 1152 CA LEU A 74 0.818 12.122 -11.170 1.00 11.30 C ATOM 1153 C LEU A 74 1.306 13.505 -10.760 1.00 15.30 C ATOM 1154 O LEU A 74 0.884 14.518 -11.310 1.00 0.24 O ATOM 1155 CB LEU A 74 -0.420 11.737 -10.360 1.00 24.20 C ATOM 1156 CG LEU A 74 -1.355 10.736 -11.040 1.00 53.10 C ATOM 1157 CD1 LEU A 74 -2.029 9.848 -10.010 1.00 63.30 C ATOM 1158 CD2 LEU A 74 -2.394 11.464 -11.880 1.00 35.50 C ATOM 0 H LEU A 74 1.826 10.619 -10.115 1.00 53.40 H new ATOM 0 HA LEU A 74 0.552 12.154 -12.226 1.00 11.30 H new ATOM 0 HB2 LEU A 74 -0.096 11.318 -9.407 1.00 24.20 H new ATOM 0 HB3 LEU A 74 -0.984 12.642 -10.135 1.00 24.20 H new ATOM 0 HG LEU A 74 -0.760 10.104 -11.699 1.00 53.10 H new ATOM 0 HD11 LEU A 74 -2.690 9.143 -10.514 1.00 63.30 H new ATOM 0 HD12 LEU A 74 -1.271 9.299 -9.451 1.00 63.30 H new ATOM 0 HD13 LEU A 74 -2.611 10.464 -9.324 1.00 63.30 H new ATOM 0 HD21 LEU A 74 -3.051 10.737 -12.357 1.00 35.50 H new ATOM 0 HD22 LEU A 74 -2.983 12.121 -11.241 1.00 35.50 H new ATOM 0 HD23 LEU A 74 -1.893 12.057 -12.645 1.00 35.50 H new ATOM 1170 N ARG A 75 2.197 13.540 -9.775 1.00 32.20 N ATOM 1171 CA ARG A 75 2.742 14.799 -9.282 1.00 34.30 C ATOM 1172 C ARG A 75 3.729 15.393 -10.280 1.00 20.30 C ATOM 1173 O ARG A 75 3.802 16.611 -10.440 1.00 41.00 O ATOM 1174 CB ARG A 75 3.430 14.587 -7.932 1.00 20.20 C ATOM 1175 CG ARG A 75 3.275 15.761 -6.979 1.00 45.30 C ATOM 1176 CD ARG A 75 2.121 15.546 -6.013 1.00 33.00 C ATOM 1177 NE ARG A 75 1.663 16.801 -5.420 1.00 55.30 N ATOM 1178 CZ ARG A 75 0.860 16.870 -4.361 1.00 45.10 C ATOM 1179 NH1 ARG A 75 0.425 15.761 -3.775 1.00 73.20 N ATOM 1180 NH2 ARG A 75 0.491 18.051 -3.885 1.00 32.00 N ATOM 0 H ARG A 75 2.557 12.711 -9.302 1.00 32.20 H new ATOM 0 HA ARG A 75 1.916 15.499 -9.156 1.00 34.30 H new ATOM 0 HB2 ARG A 75 3.022 13.692 -7.462 1.00 20.20 H new ATOM 0 HB3 ARG A 75 4.491 14.403 -8.099 1.00 20.20 H new ATOM 0 HG2 ARG A 75 4.199 15.900 -6.418 1.00 45.30 H new ATOM 0 HG3 ARG A 75 3.108 16.675 -7.550 1.00 45.30 H new ATOM 0 HD2 ARG A 75 1.293 15.069 -6.538 1.00 33.00 H new ATOM 0 HD3 ARG A 75 2.432 14.864 -5.222 1.00 33.00 H new ATOM 0 HE ARG A 75 1.977 17.675 -5.842 1.00 55.30 H new ATOM 0 HH11 ARG A 75 0.706 14.849 -4.136 1.00 73.20 H new ATOM 0 HH12 ARG A 75 -0.190 15.821 -2.964 1.00 73.20 H new ATOM 0 HH21 ARG A 75 0.823 18.907 -4.330 1.00 32.00 H new ATOM 0 HH22 ARG A 75 -0.124 18.104 -3.073 1.00 32.00 H new TER 1194 ARG A 75 ATOM 1195 N GLU B 115 10.227 -3.954 9.893 1.00 40.10 N ATOM 1196 CA GLU B 115 8.814 -3.594 9.852 1.00 25.20 C ATOM 1197 C GLU B 115 8.633 -2.086 9.985 1.00 74.30 C ATOM 1198 O GLU B 115 7.692 -1.512 9.436 1.00 53.50 O ATOM 1199 CB GLU B 115 8.051 -4.312 10.966 1.00 51.40 C ATOM 1200 CG GLU B 115 6.645 -4.731 10.568 1.00 54.10 C ATOM 1201 CD GLU B 115 5.715 -4.856 11.759 1.00 45.00 C ATOM 1202 OE1 GLU B 115 6.124 -5.464 12.770 1.00 24.10 O ATOM 1203 OE2 GLU B 115 4.578 -4.345 11.680 1.00 61.30 O ATOM 0 HA GLU B 115 8.413 -3.906 8.888 1.00 25.20 H new ATOM 0 HB2 GLU B 115 8.613 -5.196 11.268 1.00 51.40 H new ATOM 0 HB3 GLU B 115 7.994 -3.658 11.836 1.00 51.40 H new ATOM 0 HG2 GLU B 115 6.237 -4.002 9.868 1.00 54.10 H new ATOM 0 HG3 GLU B 115 6.689 -5.686 10.044 1.00 54.10 H new ATOM 1210 N ASP B 116 9.539 -1.449 10.719 1.00 12.10 N ATOM 1211 CA ASP B 116 9.479 -0.006 10.925 1.00 21.20 C ATOM 1212 C ASP B 116 9.840 0.744 9.646 1.00 64.40 C ATOM 1213 O ASP B 116 9.366 1.856 9.413 1.00 50.30 O ATOM 1214 CB ASP B 116 10.423 0.408 12.056 1.00 44.50 C ATOM 1215 CG ASP B 116 9.968 -0.108 13.407 1.00 32.40 C ATOM 1216 OD1 ASP B 116 8.786 0.097 13.753 1.00 74.20 O ATOM 1217 OD2 ASP B 116 10.794 -0.717 14.119 1.00 52.00 O ATOM 0 H ASP B 116 10.323 -1.909 11.181 1.00 12.10 H new ATOM 0 HA ASP B 116 8.457 0.254 11.200 1.00 21.20 H new ATOM 0 HB2 ASP B 116 11.424 0.033 11.845 1.00 44.50 H new ATOM 0 HB3 ASP B 116 10.491 1.495 12.089 1.00 44.50 H new ATOM 1222 N GLN B 117 10.682 0.129 8.822 1.00 52.20 N ATOM 1223 CA GLN B 117 11.107 0.740 7.567 1.00 42.30 C ATOM 1224 C GLN B 117 9.908 1.041 6.673 1.00 12.30 C ATOM 1225 O GLN B 117 9.658 2.194 6.320 1.00 5.51 O ATOM 1226 CB GLN B 117 12.086 -0.179 6.834 1.00 50.10 C ATOM 1227 CG GLN B 117 12.924 0.536 5.787 1.00 3.54 C ATOM 1228 CD GLN B 117 14.120 -0.282 5.339 1.00 51.00 C ATOM 1229 OE1 GLN B 117 14.300 -0.537 4.149 1.00 34.20 O ATOM 1230 NE2 GLN B 117 14.943 -0.697 6.294 1.00 61.40 N ATOM 0 H GLN B 117 11.084 -0.792 9.000 1.00 52.20 H new ATOM 0 HA GLN B 117 11.607 1.680 7.801 1.00 42.30 H new ATOM 0 HB2 GLN B 117 12.750 -0.644 7.563 1.00 50.10 H new ATOM 0 HB3 GLN B 117 11.527 -0.982 6.354 1.00 50.10 H new ATOM 0 HG2 GLN B 117 12.301 0.765 4.923 1.00 3.54 H new ATOM 0 HG3 GLN B 117 13.270 1.487 6.191 1.00 3.54 H new ATOM 0 HE21 GLN B 117 14.754 -0.461 7.268 1.00 61.40 H new ATOM 0 HE22 GLN B 117 15.765 -1.251 6.054 1.00 61.40 H new ATOM 1239 N LEU B 118 9.169 -0.002 6.309 1.00 30.40 N ATOM 1240 CA LEU B 118 7.997 0.152 5.456 1.00 23.20 C ATOM 1241 C LEU B 118 6.878 0.881 6.193 1.00 43.40 C ATOM 1242 O LEU B 118 6.075 1.586 5.581 1.00 33.20 O ATOM 1243 CB LEU B 118 7.503 -1.216 4.979 1.00 25.40 C ATOM 1244 CG LEU B 118 7.010 -2.150 6.086 1.00 41.30 C ATOM 1245 CD1 LEU B 118 5.840 -2.988 5.595 1.00 54.20 C ATOM 1246 CD2 LEU B 118 8.142 -3.042 6.571 1.00 33.10 C ATOM 0 H LEU B 118 9.361 -0.963 6.592 1.00 30.40 H new ATOM 0 HA LEU B 118 8.286 0.748 4.591 1.00 23.20 H new ATOM 0 HB2 LEU B 118 6.693 -1.064 4.266 1.00 25.40 H new ATOM 0 HB3 LEU B 118 8.312 -1.710 4.442 1.00 25.40 H new ATOM 0 HG LEU B 118 6.668 -1.543 6.924 1.00 41.30 H new ATOM 0 HD11 LEU B 118 5.503 -3.646 6.396 1.00 54.20 H new ATOM 0 HD12 LEU B 118 5.023 -2.332 5.296 1.00 54.20 H new ATOM 0 HD13 LEU B 118 6.155 -3.588 4.741 1.00 54.20 H new ATOM 0 HD21 LEU B 118 7.775 -3.700 7.358 1.00 33.10 H new ATOM 0 HD22 LEU B 118 8.514 -3.642 5.740 1.00 33.10 H new ATOM 0 HD23 LEU B 118 8.950 -2.424 6.962 1.00 33.10 H new ATOM 1258 N SER B 119 6.830 0.706 7.510 1.00 30.10 N ATOM 1259 CA SER B 119 5.809 1.349 8.329 1.00 15.30 C ATOM 1260 C SER B 119 5.895 2.867 8.214 1.00 31.50 C ATOM 1261 O SER B 119 4.882 3.544 8.036 1.00 11.40 O ATOM 1262 CB SER B 119 5.959 0.927 9.792 1.00 65.40 C ATOM 1263 OG SER B 119 5.527 -0.409 9.985 1.00 52.20 O ATOM 0 H SER B 119 7.486 0.125 8.032 1.00 30.10 H new ATOM 0 HA SER B 119 4.832 1.030 7.964 1.00 15.30 H new ATOM 0 HB2 SER B 119 7.001 1.023 10.096 1.00 65.40 H new ATOM 0 HB3 SER B 119 5.379 1.596 10.428 1.00 65.40 H new ATOM 0 HG SER B 119 6.096 -1.015 9.465 1.00 52.20 H new ATOM 1269 N ARG B 120 7.110 3.395 8.316 1.00 52.30 N ATOM 1270 CA ARG B 120 7.328 4.834 8.223 1.00 24.20 C ATOM 1271 C ARG B 120 7.005 5.344 6.822 1.00 63.10 C ATOM 1272 O ARG B 120 6.431 6.421 6.660 1.00 53.10 O ATOM 1273 CB ARG B 120 8.776 5.176 8.581 1.00 23.00 C ATOM 1274 CG ARG B 120 9.079 5.060 10.066 1.00 1.11 C ATOM 1275 CD ARG B 120 10.166 6.034 10.493 1.00 44.50 C ATOM 1276 NE ARG B 120 11.413 5.351 10.828 1.00 62.10 N ATOM 1277 CZ ARG B 120 12.291 4.923 9.923 1.00 63.10 C ATOM 1278 NH1 ARG B 120 12.062 5.105 8.628 1.00 71.40 N ATOM 1279 NH2 ARG B 120 13.400 4.311 10.314 1.00 60.30 N ATOM 0 H ARG B 120 7.959 2.848 8.463 1.00 52.30 H new ATOM 0 HA ARG B 120 6.660 5.324 8.932 1.00 24.20 H new ATOM 0 HB2 ARG B 120 9.444 4.514 8.030 1.00 23.00 H new ATOM 0 HB3 ARG B 120 8.992 6.193 8.253 1.00 23.00 H new ATOM 0 HG2 ARG B 120 8.172 5.252 10.639 1.00 1.11 H new ATOM 0 HG3 ARG B 120 9.392 4.041 10.296 1.00 1.11 H new ATOM 0 HD2 ARG B 120 10.348 6.748 9.690 1.00 44.50 H new ATOM 0 HD3 ARG B 120 9.823 6.605 11.356 1.00 44.50 H new ATOM 0 HE ARG B 120 11.624 5.193 11.813 1.00 62.10 H new ATOM 0 HH11 ARG B 120 11.210 5.575 8.322 1.00 71.40 H new ATOM 0 HH12 ARG B 120 12.738 4.775 7.939 1.00 71.40 H new ATOM 0 HH21 ARG B 120 13.580 4.168 11.308 1.00 60.30 H new ATOM 0 HH22 ARG B 120 14.073 3.983 9.621 1.00 60.30 H new ATOM 1293 N ARG B 121 7.376 4.563 5.813 1.00 73.40 N ATOM 1294 CA ARG B 121 7.125 4.935 4.426 1.00 2.33 C ATOM 1295 C ARG B 121 5.629 5.071 4.161 1.00 24.50 C ATOM 1296 O ARG B 121 5.206 5.879 3.334 1.00 43.20 O ATOM 1297 CB ARG B 121 7.730 3.897 3.480 1.00 4.23 C ATOM 1298 CG ARG B 121 9.200 4.134 3.176 1.00 73.10 C ATOM 1299 CD ARG B 121 9.953 2.824 3.006 1.00 23.30 C ATOM 1300 NE ARG B 121 11.199 3.000 2.264 1.00 45.20 N ATOM 1301 CZ ARG B 121 11.973 1.993 1.866 1.00 52.30 C ATOM 1302 NH1 ARG B 121 11.633 0.738 2.136 1.00 24.50 N ATOM 1303 NH2 ARG B 121 13.090 2.241 1.196 1.00 72.20 N ATOM 0 H ARG B 121 7.852 3.668 5.930 1.00 73.40 H new ATOM 0 HA ARG B 121 7.597 5.901 4.244 1.00 2.33 H new ATOM 0 HB2 ARG B 121 7.614 2.906 3.919 1.00 4.23 H new ATOM 0 HB3 ARG B 121 7.169 3.899 2.545 1.00 4.23 H new ATOM 0 HG2 ARG B 121 9.293 4.729 2.267 1.00 73.10 H new ATOM 0 HG3 ARG B 121 9.651 4.712 3.983 1.00 73.10 H new ATOM 0 HD2 ARG B 121 10.172 2.402 3.987 1.00 23.30 H new ATOM 0 HD3 ARG B 121 9.319 2.107 2.485 1.00 23.30 H new ATOM 0 HE ARG B 121 11.493 3.950 2.038 1.00 45.20 H new ATOM 0 HH11 ARG B 121 10.775 0.542 2.651 1.00 24.50 H new ATOM 0 HH12 ARG B 121 12.230 -0.030 1.828 1.00 24.50 H new ATOM 0 HH21 ARG B 121 13.356 3.203 0.986 1.00 72.20 H new ATOM 0 HH22 ARG B 121 13.684 1.470 0.891 1.00 72.20 H new ATOM 1317 N LEU B 122 4.834 4.276 4.869 1.00 14.50 N ATOM 1318 CA LEU B 122 3.385 4.307 4.710 1.00 70.40 C ATOM 1319 C LEU B 122 2.808 5.619 5.234 1.00 22.10 C ATOM 1320 O LEU B 122 2.053 6.298 4.538 1.00 42.20 O ATOM 1321 CB LEU B 122 2.744 3.126 5.443 1.00 24.10 C ATOM 1322 CG LEU B 122 1.504 2.541 4.767 1.00 21.30 C ATOM 1323 CD1 LEU B 122 1.409 1.046 5.029 1.00 24.00 C ATOM 1324 CD2 LEU B 122 0.249 3.250 5.254 1.00 34.50 C ATOM 0 H LEU B 122 5.169 3.603 5.558 1.00 14.50 H new ATOM 0 HA LEU B 122 3.160 4.231 3.646 1.00 70.40 H new ATOM 0 HB2 LEU B 122 3.488 2.337 5.549 1.00 24.10 H new ATOM 0 HB3 LEU B 122 2.474 3.446 6.449 1.00 24.10 H new ATOM 0 HG LEU B 122 1.592 2.696 3.692 1.00 21.30 H new ATOM 0 HD11 LEU B 122 0.520 0.647 4.540 1.00 24.00 H new ATOM 0 HD12 LEU B 122 2.295 0.550 4.632 1.00 24.00 H new ATOM 0 HD13 LEU B 122 1.344 0.868 6.102 1.00 24.00 H new ATOM 0 HD21 LEU B 122 -0.625 2.822 4.763 1.00 34.50 H new ATOM 0 HD22 LEU B 122 0.156 3.126 6.333 1.00 34.50 H new ATOM 0 HD23 LEU B 122 0.315 4.312 5.015 1.00 34.50 H new ATOM 1336 N ALA B 123 3.170 5.969 6.464 1.00 4.01 N ATOM 1337 CA ALA B 123 2.689 7.199 7.081 1.00 50.50 C ATOM 1338 C ALA B 123 3.156 8.423 6.301 1.00 1.42 C ATOM 1339 O ALA B 123 2.388 9.357 6.074 1.00 25.30 O ATOM 1340 CB ALA B 123 3.157 7.281 8.526 1.00 34.30 C ATOM 0 H ALA B 123 3.795 5.418 7.053 1.00 4.01 H new ATOM 0 HA ALA B 123 1.599 7.184 7.064 1.00 50.50 H new ATOM 0 HB1 ALA B 123 2.791 8.204 8.975 1.00 34.30 H new ATOM 0 HB2 ALA B 123 2.769 6.428 9.083 1.00 34.30 H new ATOM 0 HB3 ALA B 123 4.247 7.270 8.557 1.00 34.30 H new ATOM 1346 N ALA B 124 4.421 8.411 5.893 1.00 53.10 N ATOM 1347 CA ALA B 124 4.991 9.520 5.138 1.00 13.40 C ATOM 1348 C ALA B 124 4.306 9.673 3.785 1.00 23.00 C ATOM 1349 O ALA B 124 4.103 10.787 3.302 1.00 51.20 O ATOM 1350 CB ALA B 124 6.488 9.320 4.955 1.00 1.33 C ATOM 0 H ALA B 124 5.070 7.645 6.073 1.00 53.10 H new ATOM 0 HA ALA B 124 4.825 10.436 5.705 1.00 13.40 H new ATOM 0 HB1 ALA B 124 6.900 10.156 4.389 1.00 1.33 H new ATOM 0 HB2 ALA B 124 6.970 9.269 5.931 1.00 1.33 H new ATOM 0 HB3 ALA B 124 6.667 8.391 4.413 1.00 1.33 H new ATOM 1356 N LEU B 125 3.951 8.545 3.177 1.00 0.53 N ATOM 1357 CA LEU B 125 3.288 8.553 1.878 1.00 72.40 C ATOM 1358 C LEU B 125 1.940 9.260 1.960 1.00 25.30 C ATOM 1359 O LEU B 125 1.585 10.047 1.082 1.00 2.24 O ATOM 1360 CB LEU B 125 3.097 7.123 1.370 1.00 53.50 C ATOM 1361 CG LEU B 125 2.421 7.005 0.004 1.00 51.40 C ATOM 1362 CD1 LEU B 125 2.940 5.788 -0.746 1.00 10.20 C ATOM 1363 CD2 LEU B 125 0.910 6.932 0.163 1.00 33.30 C ATOM 0 H LEU B 125 4.111 7.615 3.563 1.00 0.53 H new ATOM 0 HA LEU B 125 3.922 9.098 1.178 1.00 72.40 H new ATOM 0 HB2 LEU B 125 4.072 6.639 1.318 1.00 53.50 H new ATOM 0 HB3 LEU B 125 2.505 6.571 2.100 1.00 53.50 H new ATOM 0 HG LEU B 125 2.663 7.894 -0.578 1.00 51.40 H new ATOM 0 HD11 LEU B 125 2.447 5.721 -1.716 1.00 10.20 H new ATOM 0 HD12 LEU B 125 4.016 5.882 -0.892 1.00 10.20 H new ATOM 0 HD13 LEU B 125 2.729 4.888 -0.169 1.00 10.20 H new ATOM 0 HD21 LEU B 125 0.444 6.848 -0.819 1.00 33.30 H new ATOM 0 HD22 LEU B 125 0.649 6.061 0.764 1.00 33.30 H new ATOM 0 HD23 LEU B 125 0.552 7.835 0.658 1.00 33.30 H new ATOM 1375 N ARG B 126 1.191 8.975 3.021 1.00 44.10 N ATOM 1376 CA ARG B 126 -0.119 9.584 3.217 1.00 11.20 C ATOM 1377 C ARG B 126 0.015 10.983 3.809 1.00 21.20 C ATOM 1378 O ARG B 126 0.870 11.229 4.659 1.00 22.20 O ATOM 1379 CB ARG B 126 -0.978 8.710 4.133 1.00 23.40 C ATOM 1380 CG ARG B 126 -0.389 8.520 5.521 1.00 11.20 C ATOM 1381 CD ARG B 126 -1.471 8.253 6.554 1.00 74.10 C ATOM 1382 NE ARG B 126 -1.049 8.631 7.901 1.00 72.20 N ATOM 1383 CZ ARG B 126 -1.645 8.205 9.012 1.00 62.20 C ATOM 1384 NH1 ARG B 126 -2.688 7.387 8.942 1.00 52.20 N ATOM 1385 NH2 ARG B 126 -1.197 8.597 10.197 1.00 52.20 N ATOM 0 H ARG B 126 1.469 8.326 3.757 1.00 44.10 H new ATOM 0 HA ARG B 126 -0.604 9.666 2.244 1.00 11.20 H new ATOM 0 HB2 ARG B 126 -1.967 9.158 4.226 1.00 23.40 H new ATOM 0 HB3 ARG B 126 -1.113 7.733 3.668 1.00 23.40 H new ATOM 0 HG2 ARG B 126 0.316 7.688 5.508 1.00 11.20 H new ATOM 0 HG3 ARG B 126 0.173 9.410 5.804 1.00 11.20 H new ATOM 0 HD2 ARG B 126 -2.371 8.807 6.287 1.00 74.10 H new ATOM 0 HD3 ARG B 126 -1.732 7.195 6.540 1.00 74.10 H new ATOM 0 HE ARG B 126 -0.250 9.258 7.995 1.00 72.20 H new ATOM 0 HH11 ARG B 126 -3.037 7.082 8.033 1.00 52.20 H new ATOM 0 HH12 ARG B 126 -3.141 7.064 9.797 1.00 52.20 H new ATOM 0 HH21 ARG B 126 -0.396 9.225 10.257 1.00 52.20 H new ATOM 0 HH22 ARG B 126 -1.654 8.270 11.048 1.00 52.20 H new ATOM 1399 N ASN B 127 -0.837 11.896 3.354 1.00 55.50 N ATOM 1400 CA ASN B 127 -0.814 13.272 3.839 1.00 41.10 C ATOM 1401 C ASN B 127 -1.947 14.085 3.222 1.00 24.50 C ATOM 1402 O ASN B 127 -1.928 14.283 1.988 1.00 40.40 O ATOM 1403 CB ASN B 127 0.532 13.925 3.519 1.00 53.40 C ATOM 1404 CG ASN B 127 0.841 13.914 2.035 1.00 32.10 C ATOM 1405 OD1 ASN B 127 0.417 14.801 1.294 1.00 2.15 O ATOM 1406 ND2 ASN B 127 1.585 12.907 1.593 1.00 11.10 N ATOM 1407 OXT ASN B 127 -2.843 14.518 3.976 1.00 38.50 O ATOM 0 H ASN B 127 -1.552 11.708 2.651 1.00 55.50 H new ATOM 0 HA ASN B 127 -0.952 13.253 4.920 1.00 41.10 H new ATOM 0 HB2 ASN B 127 0.528 14.954 3.879 1.00 53.40 H new ATOM 0 HB3 ASN B 127 1.323 13.402 4.056 1.00 53.40 H new ATOM 0 HD21 ASN B 127 1.826 12.847 0.604 1.00 11.10 H new ATOM 0 HD22 ASN B 127 1.915 12.193 2.243 1.00 11.10 H new TER 1414 ASN B 127