USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=16 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 Single : A 5 THR OG1 : rot 18:sc= 0.674 USER MOD Single : A 7 GLN : amide:sc= -0.0828 X(o=-0.083,f=-0.35) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 82:sc= 0.653 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.879 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= -1.93 X(o=-1.9,f=-2!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -1.25 K(o=-1.3,f=-0.58) USER MOD Single : A 34 HIS : no HD1:sc= -0.902 K(o=-0.9,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -1.02 K(o=-1,f=-0.17) USER MOD Single : A 44 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.139) 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 180:sc= -0.015 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 170:sc= -1.28 (180deg=-1.8) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -171:sc= -0.503! (180deg=-0.901!) USER MOD Single : A 60 CYS SG : rot 82:sc= 0.43 USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=0.71) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.698 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : B 117 GLN : amide:sc= -1.5 K(o=-1.5,f=-8.7!) USER MOD Single : B 119 SER OG : rot 116:sc= 0.948 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 5 -9.928 -7.749 8.368 1.00 5.14 N ATOM 2 CA THR A 5 -8.709 -7.069 7.946 1.00 25.30 C ATOM 3 C THR A 5 -8.086 -7.766 6.740 1.00 71.20 C ATOM 4 O THR A 5 -7.494 -7.121 5.875 1.00 0.54 O ATOM 5 CB THR A 5 -7.703 -7.020 9.097 1.00 65.50 C ATOM 6 OG1 THR A 5 -8.368 -7.075 10.346 1.00 51.10 O ATOM 7 CG2 THR A 5 -6.844 -5.774 9.088 1.00 30.20 C ATOM 0 HA THR A 5 -8.972 -6.051 7.659 1.00 25.30 H new ATOM 0 HB THR A 5 -7.058 -7.887 8.955 1.00 65.50 H new ATOM 0 HG1 THR A 5 -9.276 -7.420 10.218 1.00 51.10 H new ATOM 0 HG21 THR A 5 -6.153 -5.803 9.930 1.00 30.20 H new ATOM 0 HG22 THR A 5 -6.280 -5.728 8.157 1.00 30.20 H new ATOM 0 HG23 THR A 5 -7.480 -4.893 9.171 1.00 30.20 H new ATOM 15 N LEU A 6 -8.225 -9.087 6.690 1.00 62.10 N ATOM 16 CA LEU A 6 -7.676 -9.872 5.591 1.00 2.42 C ATOM 17 C LEU A 6 -8.509 -9.693 4.326 1.00 50.10 C ATOM 18 O LEU A 6 -7.972 -9.440 3.247 1.00 5.21 O ATOM 19 CB LEU A 6 -7.617 -11.350 5.972 1.00 70.40 C ATOM 20 CG LEU A 6 -6.341 -11.780 6.696 1.00 64.50 C ATOM 21 CD1 LEU A 6 -5.146 -11.710 5.757 1.00 62.50 C ATOM 22 CD2 LEU A 6 -6.106 -10.910 7.924 1.00 65.50 C ATOM 0 H LEU A 6 -8.713 -9.636 7.398 1.00 62.10 H new ATOM 0 HA LEU A 6 -6.665 -9.516 5.392 1.00 2.42 H new ATOM 0 HB2 LEU A 6 -8.472 -11.580 6.607 1.00 70.40 H new ATOM 0 HB3 LEU A 6 -7.722 -11.948 5.067 1.00 70.40 H new ATOM 0 HG LEU A 6 -6.462 -12.813 7.023 1.00 64.50 H new ATOM 0 HD11 LEU A 6 -4.246 -12.019 6.289 1.00 62.50 H new ATOM 0 HD12 LEU A 6 -5.311 -12.373 4.908 1.00 62.50 H new ATOM 0 HD13 LEU A 6 -5.023 -10.687 5.400 1.00 62.50 H new ATOM 0 HD21 LEU A 6 -5.194 -11.230 8.427 1.00 65.50 H new ATOM 0 HD22 LEU A 6 -6.006 -9.869 7.618 1.00 65.50 H new ATOM 0 HD23 LEU A 6 -6.950 -11.008 8.606 1.00 65.50 H new ATOM 34 N GLN A 7 -9.824 -9.827 4.466 1.00 45.50 N ATOM 35 CA GLN A 7 -10.730 -9.681 3.334 1.00 41.40 C ATOM 36 C GLN A 7 -10.620 -8.288 2.723 1.00 24.20 C ATOM 37 O GLN A 7 -10.530 -8.139 1.504 1.00 22.50 O ATOM 38 CB GLN A 7 -12.170 -9.943 3.773 1.00 51.20 C ATOM 39 CG GLN A 7 -13.120 -10.180 2.615 1.00 53.20 C ATOM 40 CD GLN A 7 -12.650 -11.300 1.700 1.00 71.50 C ATOM 41 OE1 GLN A 7 -12.770 -12.480 2.031 1.00 62.20 O ATOM 42 NE2 GLN A 7 -12.130 -10.930 0.539 1.00 4.24 N ATOM 0 H GLN A 7 -10.285 -10.036 5.352 1.00 45.50 H new ATOM 0 HA GLN A 7 -10.447 -10.413 2.577 1.00 41.40 H new ATOM 0 HB2 GLN A 7 -12.189 -10.811 4.432 1.00 51.20 H new ATOM 0 HB3 GLN A 7 -12.525 -9.093 4.356 1.00 51.20 H new ATOM 0 HG2 GLN A 7 -14.109 -10.423 3.004 1.00 53.20 H new ATOM 0 HG3 GLN A 7 -13.221 -9.261 2.038 1.00 53.20 H new ATOM 0 HE21 GLN A 7 -12.051 -9.940 0.308 1.00 4.24 H new ATOM 0 HE22 GLN A 7 -11.809 -11.636 -0.124 1.00 4.24 H new ATOM 51 N LYS A 8 -10.610 -7.270 3.578 1.00 73.40 N ATOM 52 CA LYS A 8 -10.510 -5.889 3.122 1.00 44.30 C ATOM 53 C LYS A 8 -9.175 -5.639 2.439 1.00 63.20 C ATOM 54 O LYS A 8 -9.077 -4.823 1.523 1.00 32.10 O ATOM 55 CB LYS A 8 -10.680 -4.927 4.299 1.00 43.20 C ATOM 56 CG LYS A 8 -12.130 -4.529 4.552 1.00 32.00 C ATOM 57 CD LYS A 8 -12.380 -4.257 6.026 1.00 50.50 C ATOM 58 CE LYS A 8 -13.660 -3.468 6.234 1.00 2.04 C ATOM 59 NZ LYS A 8 -13.400 -2.012 6.406 1.00 24.20 N ATOM 0 H LYS A 8 -10.670 -7.376 4.591 1.00 73.40 H new ATOM 0 HA LYS A 8 -11.307 -5.713 2.400 1.00 44.30 H new ATOM 0 HB2 LYS A 8 -10.276 -5.391 5.199 1.00 43.20 H new ATOM 0 HB3 LYS A 8 -10.092 -4.029 4.112 1.00 43.20 H new ATOM 0 HG2 LYS A 8 -12.372 -3.640 3.970 1.00 32.00 H new ATOM 0 HG3 LYS A 8 -12.792 -5.324 4.209 1.00 32.00 H new ATOM 0 HD2 LYS A 8 -12.441 -5.202 6.567 1.00 50.50 H new ATOM 0 HD3 LYS A 8 -11.538 -3.705 6.444 1.00 50.50 H new ATOM 0 HE2 LYS A 8 -14.321 -3.619 5.381 1.00 2.04 H new ATOM 0 HE3 LYS A 8 -14.181 -3.849 7.112 1.00 2.04 H new ATOM 0 HZ1 LYS A 8 -14.301 -1.512 6.545 1.00 24.20 H new ATOM 0 HZ2 LYS A 8 -12.790 -1.864 7.236 1.00 24.20 H new ATOM 0 HZ3 LYS A 8 -12.926 -1.641 5.558 1.00 24.20 H new ATOM 73 N ALA A 9 -8.145 -6.347 2.891 1.00 71.00 N ATOM 74 CA ALA A 9 -6.811 -6.201 2.323 1.00 4.04 C ATOM 75 C ALA A 9 -6.798 -6.582 0.846 1.00 23.10 C ATOM 76 O ALA A 9 -6.410 -5.785 -0.008 1.00 75.40 O ATOM 77 CB ALA A 9 -5.813 -7.048 3.097 1.00 1.22 C ATOM 0 H ALA A 9 -8.209 -7.027 3.649 1.00 71.00 H new ATOM 0 HA ALA A 9 -6.521 -5.153 2.403 1.00 4.04 H new ATOM 0 HB1 ALA A 9 -4.821 -6.929 2.662 1.00 1.22 H new ATOM 0 HB2 ALA A 9 -5.793 -6.727 4.138 1.00 1.22 H new ATOM 0 HB3 ALA A 9 -6.109 -8.096 3.046 1.00 1.22 H new ATOM 83 N ILE A 10 -7.224 -7.806 0.553 1.00 2.35 N ATOM 84 CA ILE A 10 -7.262 -8.293 -0.821 1.00 43.20 C ATOM 85 C ILE A 10 -8.221 -7.464 -1.669 1.00 1.12 C ATOM 86 O ILE A 10 -7.948 -7.181 -2.836 1.00 5.51 O ATOM 87 CB ILE A 10 -7.687 -9.773 -0.884 1.00 43.40 C ATOM 88 CG1 ILE A 10 -6.848 -10.610 0.083 1.00 34.20 C ATOM 89 CG2 ILE A 10 -7.557 -10.300 -2.304 1.00 23.30 C ATOM 90 CD1 ILE A 10 -7.655 -11.630 0.854 1.00 71.10 C ATOM 0 H ILE A 10 -7.548 -8.479 1.248 1.00 2.35 H new ATOM 0 HA ILE A 10 -6.251 -8.198 -1.218 1.00 43.20 H new ATOM 0 HB ILE A 10 -8.732 -9.849 -0.584 1.00 43.40 H new ATOM 0 HG12 ILE A 10 -6.067 -11.124 -0.477 1.00 34.20 H new ATOM 0 HG13 ILE A 10 -6.349 -9.945 0.788 1.00 34.20 H new ATOM 0 HG21 ILE A 10 -7.861 -11.346 -2.333 1.00 23.30 H new ATOM 0 HG22 ILE A 10 -8.196 -9.718 -2.968 1.00 23.30 H new ATOM 0 HG23 ILE A 10 -6.521 -10.214 -2.631 1.00 23.30 H new ATOM 0 HD11 ILE A 10 -6.996 -12.187 1.520 1.00 71.10 H new ATOM 0 HD12 ILE A 10 -8.419 -11.121 1.442 1.00 71.10 H new ATOM 0 HD13 ILE A 10 -8.133 -12.318 0.157 1.00 71.10 H new ATOM 102 N ASP A 11 -9.345 -7.077 -1.075 1.00 52.40 N ATOM 103 CA ASP A 11 -10.340 -6.279 -1.776 1.00 43.40 C ATOM 104 C ASP A 11 -9.752 -4.955 -2.245 1.00 65.10 C ATOM 105 O ASP A 11 -9.948 -4.546 -3.390 1.00 72.40 O ATOM 106 CB ASP A 11 -11.540 -6.020 -0.869 1.00 64.20 C ATOM 107 CG ASP A 11 -12.540 -7.166 -0.882 1.00 41.50 C ATOM 108 OD1 ASP A 11 -12.100 -8.325 -1.054 1.00 73.20 O ATOM 109 OD2 ASP A 11 -13.750 -6.906 -0.721 1.00 74.20 O ATOM 0 H ASP A 11 -9.588 -7.304 -0.111 1.00 52.40 H new ATOM 0 HA ASP A 11 -10.664 -6.840 -2.653 1.00 43.40 H new ATOM 0 HB2 ASP A 11 -11.192 -5.858 0.151 1.00 64.20 H new ATOM 0 HB3 ASP A 11 -12.039 -5.104 -1.185 1.00 64.20 H new ATOM 114 N LEU A 12 -9.026 -4.288 -1.354 1.00 21.30 N ATOM 115 CA LEU A 12 -8.403 -3.010 -1.677 1.00 63.10 C ATOM 116 C LEU A 12 -7.393 -3.169 -2.808 1.00 1.31 C ATOM 117 O LEU A 12 -7.305 -2.323 -3.698 1.00 42.00 O ATOM 118 CB LEU A 12 -7.716 -2.426 -0.441 1.00 71.40 C ATOM 119 CG LEU A 12 -8.658 -1.800 0.588 1.00 32.30 C ATOM 120 CD1 LEU A 12 -7.983 -1.718 1.949 1.00 61.40 C ATOM 121 CD2 LEU A 12 -9.105 -0.420 0.129 1.00 43.20 C ATOM 0 H LEU A 12 -8.855 -4.612 -0.402 1.00 21.30 H new ATOM 0 HA LEU A 12 -9.185 -2.325 -2.006 1.00 63.10 H new ATOM 0 HB2 LEU A 12 -7.144 -3.216 0.046 1.00 71.40 H new ATOM 0 HB3 LEU A 12 -7.002 -1.669 -0.765 1.00 71.40 H new ATOM 0 HG LEU A 12 -9.539 -2.435 0.680 1.00 32.30 H new ATOM 0 HD11 LEU A 12 -8.668 -1.270 2.669 1.00 61.40 H new ATOM 0 HD12 LEU A 12 -7.712 -2.720 2.282 1.00 61.40 H new ATOM 0 HD13 LEU A 12 -7.085 -1.105 1.873 1.00 61.40 H new ATOM 0 HD21 LEU A 12 -9.775 0.012 0.873 1.00 43.20 H new ATOM 0 HD22 LEU A 12 -8.233 0.223 0.009 1.00 43.20 H new ATOM 0 HD23 LEU A 12 -9.627 -0.505 -0.824 1.00 43.20 H new ATOM 133 N VAL A 13 -6.633 -4.258 -2.767 1.00 32.10 N ATOM 134 CA VAL A 13 -5.629 -4.528 -3.790 1.00 52.10 C ATOM 135 C VAL A 13 -6.281 -4.759 -5.149 1.00 45.40 C ATOM 136 O VAL A 13 -5.818 -4.243 -6.166 1.00 24.10 O ATOM 137 CB VAL A 13 -4.771 -5.756 -3.428 1.00 71.40 C ATOM 138 CG1 VAL A 13 -3.642 -5.938 -4.431 1.00 20.10 C ATOM 139 CG2 VAL A 13 -4.221 -5.626 -2.016 1.00 65.20 C ATOM 0 H VAL A 13 -6.693 -4.968 -2.037 1.00 32.10 H new ATOM 0 HA VAL A 13 -4.985 -3.650 -3.842 1.00 52.10 H new ATOM 0 HB VAL A 13 -5.406 -6.641 -3.468 1.00 71.40 H new ATOM 0 HG11 VAL A 13 -3.049 -6.810 -4.157 1.00 20.10 H new ATOM 0 HG12 VAL A 13 -4.060 -6.082 -5.427 1.00 20.10 H new ATOM 0 HG13 VAL A 13 -3.007 -5.052 -4.429 1.00 20.10 H new ATOM 0 HG21 VAL A 13 -3.618 -6.502 -1.778 1.00 65.20 H new ATOM 0 HG22 VAL A 13 -3.603 -4.731 -1.947 1.00 65.20 H new ATOM 0 HG23 VAL A 13 -5.047 -5.552 -1.309 1.00 65.20 H new ATOM 149 N THR A 14 -7.358 -5.539 -5.158 1.00 34.40 N ATOM 150 CA THR A 14 -8.075 -5.840 -6.393 1.00 41.30 C ATOM 151 C THR A 14 -8.491 -4.560 -7.111 1.00 73.20 C ATOM 152 O THR A 14 -8.453 -4.484 -8.339 1.00 72.20 O ATOM 153 CB THR A 14 -9.308 -6.694 -6.095 1.00 52.30 C ATOM 154 OG1 THR A 14 -9.050 -7.595 -5.033 1.00 30.50 O ATOM 155 CG2 THR A 14 -9.774 -7.508 -7.283 1.00 4.04 C ATOM 0 H THR A 14 -7.753 -5.974 -4.324 1.00 34.40 H new ATOM 0 HA THR A 14 -7.403 -6.397 -7.046 1.00 41.30 H new ATOM 0 HB THR A 14 -10.092 -5.985 -5.830 1.00 52.30 H new ATOM 0 HG1 THR A 14 -9.155 -7.130 -4.177 1.00 30.50 H new ATOM 0 HG21 THR A 14 -10.652 -8.090 -7.003 1.00 4.04 H new ATOM 0 HG22 THR A 14 -10.029 -6.839 -8.105 1.00 4.04 H new ATOM 0 HG23 THR A 14 -8.977 -8.182 -7.598 1.00 4.04 H new ATOM 163 N LYS A 15 -8.887 -3.555 -6.336 1.00 21.40 N ATOM 164 CA LYS A 15 -9.309 -2.277 -6.898 1.00 21.40 C ATOM 165 C LYS A 15 -8.113 -1.498 -7.435 1.00 60.40 C ATOM 166 O LYS A 15 -8.238 -0.728 -8.387 1.00 75.20 O ATOM 167 CB LYS A 15 -10.040 -1.448 -5.840 1.00 73.40 C ATOM 168 CG LYS A 15 -11.150 -2.204 -5.139 1.00 71.10 C ATOM 169 CD LYS A 15 -12.420 -2.217 -5.972 1.00 2.41 C ATOM 170 CE LYS A 15 -13.140 -3.553 -5.871 1.00 24.40 C ATOM 171 NZ LYS A 15 -14.230 -3.524 -4.856 1.00 60.10 N ATOM 0 H LYS A 15 -8.924 -3.601 -5.318 1.00 21.40 H new ATOM 0 HA LYS A 15 -9.989 -2.478 -7.725 1.00 21.40 H new ATOM 0 HB2 LYS A 15 -9.320 -1.105 -5.097 1.00 73.40 H new ATOM 0 HB3 LYS A 15 -10.459 -0.559 -6.312 1.00 73.40 H new ATOM 0 HG2 LYS A 15 -10.829 -3.228 -4.945 1.00 71.10 H new ATOM 0 HG3 LYS A 15 -11.352 -1.744 -4.172 1.00 71.10 H new ATOM 0 HD2 LYS A 15 -13.083 -1.419 -5.638 1.00 2.41 H new ATOM 0 HD3 LYS A 15 -12.175 -2.013 -7.014 1.00 2.41 H new ATOM 0 HE2 LYS A 15 -13.557 -3.815 -6.844 1.00 24.40 H new ATOM 0 HE3 LYS A 15 -12.423 -4.332 -5.611 1.00 24.40 H new ATOM 0 HZ1 LYS A 15 -14.695 -4.454 -4.819 1.00 60.10 H new ATOM 0 HZ2 LYS A 15 -13.829 -3.300 -3.923 1.00 60.10 H new ATOM 0 HZ3 LYS A 15 -14.928 -2.798 -5.117 1.00 60.10 H new ATOM 185 N ALA A 16 -6.953 -1.705 -6.819 1.00 3.30 N ATOM 186 CA ALA A 16 -5.734 -1.022 -7.237 1.00 53.50 C ATOM 187 C ALA A 16 -5.175 -1.635 -8.516 1.00 0.33 C ATOM 188 O ALA A 16 -4.750 -0.920 -9.424 1.00 54.40 O ATOM 189 CB ALA A 16 -4.695 -1.072 -6.127 1.00 23.00 C ATOM 0 H ALA A 16 -6.832 -2.340 -6.030 1.00 3.30 H new ATOM 0 HA ALA A 16 -5.981 0.020 -7.442 1.00 53.50 H new ATOM 0 HB1 ALA A 16 -3.790 -0.559 -6.452 1.00 23.00 H new ATOM 0 HB2 ALA A 16 -5.090 -0.583 -5.237 1.00 23.00 H new ATOM 0 HB3 ALA A 16 -4.459 -2.111 -5.896 1.00 23.00 H new ATOM 195 N THR A 17 -5.179 -2.962 -8.580 1.00 12.00 N ATOM 196 CA THR A 17 -4.672 -3.672 -9.749 1.00 52.30 C ATOM 197 C THR A 17 -5.465 -3.294 -10.990 1.00 44.10 C ATOM 198 O THR A 17 -4.904 -3.159 -12.080 1.00 4.40 O ATOM 199 CB THR A 17 -4.736 -5.186 -9.525 1.00 42.40 C ATOM 200 OG1 THR A 17 -5.188 -5.483 -8.215 1.00 15.40 O ATOM 201 CG2 THR A 17 -3.403 -5.875 -9.716 1.00 32.20 C ATOM 0 H THR A 17 -5.527 -3.568 -7.837 1.00 12.00 H new ATOM 0 HA THR A 17 -3.632 -3.383 -9.899 1.00 52.30 H new ATOM 0 HB THR A 17 -5.432 -5.559 -10.276 1.00 42.40 H new ATOM 0 HG1 THR A 17 -5.223 -6.455 -8.093 1.00 15.40 H new ATOM 0 HG21 THR A 17 -3.518 -6.945 -9.543 1.00 32.20 H new ATOM 0 HG22 THR A 17 -3.050 -5.708 -10.734 1.00 32.20 H new ATOM 0 HG23 THR A 17 -2.679 -5.469 -9.010 1.00 32.20 H new ATOM 209 N GLU A 18 -6.773 -3.125 -10.830 1.00 33.30 N ATOM 210 CA GLU A 18 -7.645 -2.761 -11.940 1.00 3.34 C ATOM 211 C GLU A 18 -7.430 -1.308 -12.340 1.00 35.20 C ATOM 212 O GLU A 18 -7.554 -0.957 -13.520 1.00 22.40 O ATOM 213 CB GLU A 18 -9.110 -2.985 -11.560 1.00 34.00 C ATOM 214 CG GLU A 18 -9.542 -2.217 -10.320 1.00 15.50 C ATOM 215 CD GLU A 18 -11.030 -2.291 -10.080 1.00 74.20 C ATOM 216 OE1 GLU A 18 -11.650 -3.289 -10.500 1.00 74.10 O ATOM 217 OE2 GLU A 18 -11.580 -1.351 -9.473 1.00 24.20 O ATOM 0 H GLU A 18 -7.254 -3.235 -9.937 1.00 33.30 H new ATOM 0 HA GLU A 18 -7.397 -3.396 -12.790 1.00 3.34 H new ATOM 0 HB2 GLU A 18 -9.743 -2.692 -12.398 1.00 34.00 H new ATOM 0 HB3 GLU A 18 -9.275 -4.050 -11.394 1.00 34.00 H new ATOM 0 HG2 GLU A 18 -9.017 -2.613 -9.451 1.00 15.50 H new ATOM 0 HG3 GLU A 18 -9.246 -1.173 -10.422 1.00 15.50 H new ATOM 224 N GLU A 19 -7.106 -0.466 -11.370 1.00 50.00 N ATOM 225 CA GLU A 19 -6.872 0.950 -11.630 1.00 40.00 C ATOM 226 C GLU A 19 -5.503 1.166 -12.260 1.00 12.20 C ATOM 227 O GLU A 19 -5.379 1.861 -13.270 1.00 23.40 O ATOM 228 CB GLU A 19 -6.976 1.751 -10.330 1.00 14.30 C ATOM 229 CG GLU A 19 -8.407 1.995 -9.882 1.00 53.20 C ATOM 230 CD GLU A 19 -9.257 2.638 -10.960 1.00 21.20 C ATOM 231 OE1 GLU A 19 -9.771 1.901 -11.820 1.00 53.20 O ATOM 232 OE2 GLU A 19 -9.408 3.877 -10.930 1.00 62.50 O ATOM 0 H GLU A 19 -6.999 -0.738 -10.393 1.00 50.00 H new ATOM 0 HA GLU A 19 -7.634 1.297 -12.327 1.00 40.00 H new ATOM 0 HB2 GLU A 19 -6.442 1.220 -9.542 1.00 14.30 H new ATOM 0 HB3 GLU A 19 -6.476 2.711 -10.463 1.00 14.30 H new ATOM 0 HG2 GLU A 19 -8.857 1.047 -9.587 1.00 53.20 H new ATOM 0 HG3 GLU A 19 -8.403 2.634 -8.999 1.00 53.20 H new ATOM 239 N ASP A 20 -4.477 0.566 -11.670 1.00 14.20 N ATOM 240 CA ASP A 20 -3.116 0.692 -12.180 1.00 63.40 C ATOM 241 C ASP A 20 -3.023 0.192 -13.620 1.00 74.40 C ATOM 242 O ASP A 20 -2.208 0.677 -14.400 1.00 43.00 O ATOM 243 CB ASP A 20 -2.143 -0.087 -11.290 1.00 73.10 C ATOM 244 CG ASP A 20 -0.789 0.586 -11.190 1.00 43.00 C ATOM 245 OD1 ASP A 20 -0.352 1.198 -12.190 1.00 30.30 O ATOM 246 OD2 ASP A 20 -0.165 0.503 -10.110 1.00 24.00 O ATOM 0 H ASP A 20 -4.561 -0.014 -10.836 1.00 14.20 H new ATOM 0 HA ASP A 20 -2.845 1.748 -12.166 1.00 63.40 H new ATOM 0 HB2 ASP A 20 -2.570 -0.190 -10.292 1.00 73.10 H new ATOM 0 HB3 ASP A 20 -2.017 -1.094 -11.688 1.00 73.10 H new ATOM 251 N LYS A 21 -3.864 -0.780 -13.960 1.00 62.00 N ATOM 252 CA LYS A 21 -3.875 -1.345 -15.300 1.00 42.30 C ATOM 253 C LYS A 21 -4.805 -0.557 -16.220 1.00 52.30 C ATOM 254 O LYS A 21 -4.658 -0.591 -17.440 1.00 34.20 O ATOM 255 CB LYS A 21 -4.304 -2.814 -15.260 1.00 52.40 C ATOM 256 CG LYS A 21 -5.761 -3.015 -14.870 1.00 43.00 C ATOM 257 CD LYS A 21 -6.090 -4.487 -14.680 1.00 42.50 C ATOM 258 CE LYS A 21 -7.474 -4.821 -15.210 1.00 75.10 C ATOM 259 NZ LYS A 21 -7.420 -5.361 -16.600 1.00 24.10 N ATOM 0 H LYS A 21 -4.546 -1.191 -13.323 1.00 62.00 H new ATOM 0 HA LYS A 21 -2.862 -1.282 -15.697 1.00 42.30 H new ATOM 0 HB2 LYS A 21 -4.135 -3.260 -16.240 1.00 52.40 H new ATOM 0 HB3 LYS A 21 -3.671 -3.349 -14.553 1.00 52.40 H new ATOM 0 HG2 LYS A 21 -5.970 -2.473 -13.948 1.00 43.00 H new ATOM 0 HG3 LYS A 21 -6.406 -2.594 -15.641 1.00 43.00 H new ATOM 0 HD2 LYS A 21 -5.346 -5.096 -15.193 1.00 42.50 H new ATOM 0 HD3 LYS A 21 -6.034 -4.740 -13.621 1.00 42.50 H new ATOM 0 HE2 LYS A 21 -7.948 -5.552 -14.554 1.00 75.10 H new ATOM 0 HE3 LYS A 21 -8.096 -3.926 -15.192 1.00 75.10 H new ATOM 0 HZ1 LYS A 21 -8.384 -5.577 -16.926 1.00 24.10 H new ATOM 0 HZ2 LYS A 21 -6.991 -4.654 -17.231 1.00 24.10 H new ATOM 0 HZ3 LYS A 21 -6.848 -6.229 -16.613 1.00 24.10 H new ATOM 273 N ALA A 22 -5.764 0.151 -15.630 1.00 44.40 N ATOM 274 CA ALA A 22 -6.714 0.944 -16.400 1.00 52.30 C ATOM 275 C ALA A 22 -6.281 2.404 -16.480 1.00 32.10 C ATOM 276 O ALA A 22 -7.115 3.304 -16.580 1.00 1.23 O ATOM 277 CB ALA A 22 -8.104 0.838 -15.790 1.00 12.40 C ATOM 0 H ALA A 22 -5.903 0.191 -14.620 1.00 44.40 H new ATOM 0 HA ALA A 22 -6.740 0.546 -17.415 1.00 52.30 H new ATOM 0 HB1 ALA A 22 -8.804 1.435 -16.374 1.00 12.40 H new ATOM 0 HB2 ALA A 22 -8.424 -0.204 -15.793 1.00 12.40 H new ATOM 0 HB3 ALA A 22 -8.080 1.207 -14.765 1.00 12.40 H new ATOM 283 N LYS A 23 -4.972 2.633 -16.440 1.00 63.10 N ATOM 284 CA LYS A 23 -4.430 3.985 -16.510 1.00 32.40 C ATOM 285 C LYS A 23 -4.953 4.847 -15.360 1.00 51.40 C ATOM 286 O LYS A 23 -5.300 6.012 -15.560 1.00 23.40 O ATOM 287 CB LYS A 23 -4.786 4.629 -17.850 1.00 73.30 C ATOM 288 CG LYS A 23 -4.544 3.719 -19.050 1.00 13.30 C ATOM 289 CD LYS A 23 -4.806 4.441 -20.360 1.00 42.10 C ATOM 290 CE LYS A 23 -3.527 5.015 -20.940 1.00 53.30 C ATOM 291 NZ LYS A 23 -3.765 6.314 -21.630 1.00 11.00 N ATOM 0 H LYS A 23 -4.267 1.900 -16.360 1.00 63.10 H new ATOM 0 HA LYS A 23 -3.346 3.919 -16.422 1.00 32.40 H new ATOM 0 HB2 LYS A 23 -5.835 4.924 -17.834 1.00 73.30 H new ATOM 0 HB3 LYS A 23 -4.201 5.540 -17.972 1.00 73.30 H new ATOM 0 HG2 LYS A 23 -3.516 3.358 -19.032 1.00 13.30 H new ATOM 0 HG3 LYS A 23 -5.190 2.844 -18.980 1.00 13.30 H new ATOM 0 HD2 LYS A 23 -5.254 3.751 -21.075 1.00 42.10 H new ATOM 0 HD3 LYS A 23 -5.526 5.243 -20.198 1.00 42.10 H new ATOM 0 HE2 LYS A 23 -2.798 5.156 -20.142 1.00 53.30 H new ATOM 0 HE3 LYS A 23 -3.096 4.303 -21.644 1.00 53.30 H new ATOM 0 HZ1 LYS A 23 -2.867 6.674 -22.012 1.00 11.00 H new ATOM 0 HZ2 LYS A 23 -4.442 6.175 -22.407 1.00 11.00 H new ATOM 0 HZ3 LYS A 23 -4.152 7.001 -20.952 1.00 11.00 H new ATOM 305 N ASN A 24 -5.005 4.267 -14.170 1.00 61.30 N ATOM 306 CA ASN A 24 -5.484 4.983 -12.990 1.00 63.10 C ATOM 307 C ASN A 24 -4.481 4.877 -11.850 1.00 74.50 C ATOM 308 O ASN A 24 -4.678 4.108 -10.910 1.00 44.40 O ATOM 309 CB ASN A 24 -6.843 4.435 -12.550 1.00 43.10 C ATOM 310 CG ASN A 24 -8.000 5.225 -13.130 1.00 63.00 C ATOM 311 OD1 ASN A 24 -7.912 6.441 -13.300 1.00 75.20 O ATOM 312 ND2 ASN A 24 -9.094 4.536 -13.430 1.00 10.10 N ATOM 0 H ASN A 24 -4.722 3.303 -13.993 1.00 61.30 H new ATOM 0 HA ASN A 24 -5.597 6.035 -13.252 1.00 63.10 H new ATOM 0 HB2 ASN A 24 -6.928 3.393 -12.857 1.00 43.10 H new ATOM 0 HB3 ASN A 24 -6.904 4.453 -11.462 1.00 43.10 H new ATOM 0 HD21 ASN A 24 -9.907 5.014 -13.819 1.00 10.10 H new ATOM 0 HD22 ASN A 24 -9.122 3.529 -13.272 1.00 10.10 H new ATOM 319 N TYR A 25 -3.406 5.653 -11.940 1.00 54.10 N ATOM 320 CA TYR A 25 -2.372 5.647 -10.910 1.00 24.40 C ATOM 321 C TYR A 25 -2.856 6.349 -9.648 1.00 52.30 C ATOM 322 O TYR A 25 -2.495 5.966 -8.536 1.00 72.30 O ATOM 323 CB TYR A 25 -1.103 6.324 -11.430 1.00 54.00 C ATOM 324 CG TYR A 25 -0.599 5.748 -12.730 1.00 10.40 C ATOM 325 CD1 TYR A 25 -0.582 4.375 -12.950 1.00 74.40 C ATOM 326 CD2 TYR A 25 -0.140 6.577 -13.750 1.00 22.00 C ATOM 327 CE1 TYR A 25 -0.122 3.845 -14.140 1.00 53.30 C ATOM 328 CE2 TYR A 25 0.321 6.054 -14.940 1.00 42.50 C ATOM 329 CZ TYR A 25 0.328 4.688 -15.130 1.00 2.12 C ATOM 330 OH TYR A 25 0.787 4.164 -16.320 1.00 72.30 O ATOM 0 H TYR A 25 -3.228 6.293 -12.714 1.00 54.10 H new ATOM 0 HA TYR A 25 -2.147 4.610 -10.662 1.00 24.40 H new ATOM 0 HB2 TYR A 25 -1.298 7.388 -11.565 1.00 54.00 H new ATOM 0 HB3 TYR A 25 -0.320 6.237 -10.676 1.00 54.00 H new ATOM 0 HD1 TYR A 25 -0.935 3.710 -12.176 1.00 74.40 H new ATOM 0 HD2 TYR A 25 -0.145 7.647 -13.607 1.00 22.00 H new ATOM 0 HE1 TYR A 25 -0.116 2.776 -14.292 1.00 53.30 H new ATOM 0 HE2 TYR A 25 0.675 6.712 -15.720 1.00 42.50 H new ATOM 0 HH TYR A 25 1.067 4.893 -16.912 1.00 72.30 H new ATOM 340 N GLU A 26 -3.676 7.380 -9.827 1.00 24.40 N ATOM 341 CA GLU A 26 -4.210 8.137 -8.701 1.00 61.40 C ATOM 342 C GLU A 26 -5.177 7.286 -7.884 1.00 42.30 C ATOM 343 O GLU A 26 -5.206 7.367 -6.656 1.00 33.40 O ATOM 344 CB GLU A 26 -4.916 9.400 -9.197 1.00 42.50 C ATOM 345 CG GLU A 26 -4.735 10.598 -8.279 1.00 50.30 C ATOM 346 CD GLU A 26 -4.674 11.909 -9.037 1.00 72.40 C ATOM 347 OE1 GLU A 26 -5.682 12.271 -9.680 1.00 72.50 O ATOM 348 OE2 GLU A 26 -3.618 12.575 -8.987 1.00 53.20 O ATOM 0 H GLU A 26 -3.985 7.710 -10.741 1.00 24.40 H new ATOM 0 HA GLU A 26 -3.377 8.424 -8.060 1.00 61.40 H new ATOM 0 HB2 GLU A 26 -4.539 9.652 -10.188 1.00 42.50 H new ATOM 0 HB3 GLU A 26 -5.981 9.193 -9.305 1.00 42.50 H new ATOM 0 HG2 GLU A 26 -5.559 10.633 -7.566 1.00 50.30 H new ATOM 0 HG3 GLU A 26 -3.819 10.473 -7.702 1.00 50.30 H new ATOM 355 N GLU A 27 -5.968 6.471 -8.575 1.00 13.30 N ATOM 356 CA GLU A 27 -6.937 5.605 -7.914 1.00 0.33 C ATOM 357 C GLU A 27 -6.275 4.322 -7.422 1.00 41.30 C ATOM 358 O GLU A 27 -6.673 3.758 -6.403 1.00 22.10 O ATOM 359 CB GLU A 27 -8.085 5.268 -8.868 1.00 21.00 C ATOM 360 CG GLU A 27 -9.353 4.819 -8.159 1.00 62.10 C ATOM 361 CD GLU A 27 -10.350 5.943 -7.996 1.00 62.30 C ATOM 362 OE1 GLU A 27 -9.945 7.120 -8.047 1.00 74.40 O ATOM 363 OE2 GLU A 27 -11.550 5.645 -7.817 1.00 41.30 O ATOM 0 H GLU A 27 -5.957 6.392 -9.592 1.00 13.30 H new ATOM 0 HA GLU A 27 -7.335 6.139 -7.052 1.00 0.33 H new ATOM 0 HB2 GLU A 27 -8.310 6.144 -9.477 1.00 21.00 H new ATOM 0 HB3 GLU A 27 -7.761 4.481 -9.549 1.00 21.00 H new ATOM 0 HG2 GLU A 27 -9.813 4.007 -8.723 1.00 62.10 H new ATOM 0 HG3 GLU A 27 -9.096 4.420 -7.178 1.00 62.10 H new ATOM 370 N ALA A 28 -5.263 3.867 -8.154 1.00 42.50 N ATOM 371 CA ALA A 28 -4.546 2.650 -7.793 1.00 14.40 C ATOM 372 C ALA A 28 -3.628 2.887 -6.599 1.00 50.30 C ATOM 373 O ALA A 28 -3.432 2.000 -5.768 1.00 62.50 O ATOM 374 CB ALA A 28 -3.748 2.137 -8.981 1.00 14.10 C ATOM 0 H ALA A 28 -4.921 4.323 -9.000 1.00 42.50 H new ATOM 0 HA ALA A 28 -5.280 1.896 -7.509 1.00 14.40 H new ATOM 0 HB1 ALA A 28 -3.217 1.228 -8.698 1.00 14.10 H new ATOM 0 HB2 ALA A 28 -4.425 1.920 -9.807 1.00 14.10 H new ATOM 0 HB3 ALA A 28 -3.029 2.895 -9.291 1.00 14.10 H new ATOM 380 N LEU A 29 -3.066 4.089 -6.520 1.00 54.30 N ATOM 381 CA LEU A 29 -2.168 4.442 -5.427 1.00 30.40 C ATOM 382 C LEU A 29 -2.913 4.472 -4.097 1.00 14.40 C ATOM 383 O LEU A 29 -2.532 3.791 -3.145 1.00 30.10 O ATOM 384 CB LEU A 29 -1.517 5.803 -5.693 1.00 31.50 C ATOM 385 CG LEU A 29 -0.395 6.193 -4.726 1.00 13.10 C ATOM 386 CD1 LEU A 29 -0.969 6.616 -3.383 1.00 40.40 C ATOM 387 CD2 LEU A 29 0.586 5.043 -4.551 1.00 61.30 C ATOM 0 H LEU A 29 -3.217 4.834 -7.200 1.00 54.30 H new ATOM 0 HA LEU A 29 -1.391 3.680 -5.369 1.00 30.40 H new ATOM 0 HB2 LEU A 29 -1.117 5.804 -6.707 1.00 31.50 H new ATOM 0 HB3 LEU A 29 -2.290 6.571 -5.655 1.00 31.50 H new ATOM 0 HG LEU A 29 0.143 7.040 -5.151 1.00 13.10 H new ATOM 0 HD11 LEU A 29 -0.156 6.889 -2.710 1.00 40.40 H new ATOM 0 HD12 LEU A 29 -1.628 7.473 -3.523 1.00 40.40 H new ATOM 0 HD13 LEU A 29 -1.534 5.790 -2.952 1.00 40.40 H new ATOM 0 HD21 LEU A 29 1.375 5.340 -3.861 1.00 61.30 H new ATOM 0 HD22 LEU A 29 0.062 4.175 -4.151 1.00 61.30 H new ATOM 0 HD23 LEU A 29 1.025 4.789 -5.516 1.00 61.30 H new ATOM 399 N ARG A 30 -3.978 5.265 -4.037 1.00 64.40 N ATOM 400 CA ARG A 30 -4.777 5.383 -2.823 1.00 51.40 C ATOM 401 C ARG A 30 -5.348 4.030 -2.412 1.00 53.20 C ATOM 402 O ARG A 30 -5.505 3.745 -1.225 1.00 34.40 O ATOM 403 CB ARG A 30 -5.912 6.388 -3.029 1.00 73.00 C ATOM 404 CG ARG A 30 -6.923 5.957 -4.079 1.00 63.20 C ATOM 405 CD ARG A 30 -8.121 5.266 -3.448 1.00 72.40 C ATOM 406 NE ARG A 30 -9.223 5.108 -4.394 1.00 22.50 N ATOM 407 CZ ARG A 30 -10.460 4.802 -4.037 1.00 61.20 C ATOM 408 NH1 ARG A 30 -10.770 4.621 -2.758 1.00 43.30 N ATOM 409 NH2 ARG A 30 -11.410 4.677 -4.961 1.00 54.30 N ATOM 0 H ARG A 30 -4.308 5.836 -4.816 1.00 64.40 H new ATOM 0 HA ARG A 30 -4.126 5.739 -2.024 1.00 51.40 H new ATOM 0 HB2 ARG A 30 -6.428 6.540 -2.081 1.00 73.00 H new ATOM 0 HB3 ARG A 30 -5.487 7.349 -3.319 1.00 73.00 H new ATOM 0 HG2 ARG A 30 -7.259 6.828 -4.642 1.00 63.20 H new ATOM 0 HG3 ARG A 30 -6.446 5.283 -4.790 1.00 63.20 H new ATOM 0 HD2 ARG A 30 -7.820 4.287 -3.075 1.00 72.40 H new ATOM 0 HD3 ARG A 30 -8.461 5.843 -2.588 1.00 72.40 H new ATOM 0 HE ARG A 30 -9.028 5.241 -5.386 1.00 22.50 H new ATOM 0 HH11 ARG A 30 -10.052 4.718 -2.040 1.00 43.30 H new ATOM 0 HH12 ARG A 30 -11.727 4.385 -2.493 1.00 43.30 H new ATOM 0 HH21 ARG A 30 -11.185 4.817 -5.946 1.00 54.30 H new ATOM 0 HH22 ARG A 30 -12.363 4.441 -4.684 1.00 54.30 H new ATOM 423 N LEU A 31 -5.657 3.199 -3.402 1.00 62.30 N ATOM 424 CA LEU A 31 -6.210 1.875 -3.144 1.00 44.20 C ATOM 425 C LEU A 31 -5.127 0.916 -2.660 1.00 43.20 C ATOM 426 O LEU A 31 -5.395 0.005 -1.877 1.00 61.40 O ATOM 427 CB LEU A 31 -6.871 1.320 -4.408 1.00 15.40 C ATOM 428 CG LEU A 31 -8.203 1.972 -4.782 1.00 61.20 C ATOM 429 CD1 LEU A 31 -8.520 1.732 -6.250 1.00 23.30 C ATOM 430 CD2 LEU A 31 -9.322 1.441 -3.899 1.00 44.40 C ATOM 0 H LEU A 31 -5.534 3.419 -4.390 1.00 62.30 H new ATOM 0 HA LEU A 31 -6.962 1.970 -2.360 1.00 44.20 H new ATOM 0 HB2 LEU A 31 -6.180 1.437 -5.242 1.00 15.40 H new ATOM 0 HB3 LEU A 31 -7.032 0.250 -4.275 1.00 15.40 H new ATOM 0 HG LEU A 31 -8.119 3.047 -4.621 1.00 61.20 H new ATOM 0 HD11 LEU A 31 -9.471 2.203 -6.499 1.00 23.30 H new ATOM 0 HD12 LEU A 31 -7.731 2.161 -6.867 1.00 23.30 H new ATOM 0 HD13 LEU A 31 -8.586 0.660 -6.438 1.00 23.30 H new ATOM 0 HD21 LEU A 31 -10.263 1.916 -4.179 1.00 44.40 H new ATOM 0 HD22 LEU A 31 -9.407 0.362 -4.029 1.00 44.40 H new ATOM 0 HD23 LEU A 31 -9.099 1.664 -2.856 1.00 44.40 H new ATOM 442 N TYR A 32 -3.903 1.129 -3.131 1.00 2.23 N ATOM 443 CA TYR A 32 -2.778 0.284 -2.746 1.00 41.50 C ATOM 444 C TYR A 32 -2.336 0.583 -1.318 1.00 44.30 C ATOM 445 O TYR A 32 -2.156 -0.328 -0.509 1.00 44.30 O ATOM 446 CB TYR A 32 -1.607 0.488 -3.709 1.00 2.32 C ATOM 447 CG TYR A 32 -1.614 -0.464 -4.884 1.00 53.40 C ATOM 448 CD1 TYR A 32 -1.863 -1.819 -4.703 1.00 62.30 C ATOM 449 CD2 TYR A 32 -1.373 -0.007 -6.174 1.00 61.50 C ATOM 450 CE1 TYR A 32 -1.870 -2.692 -5.774 1.00 50.50 C ATOM 451 CE2 TYR A 32 -1.379 -0.874 -7.250 1.00 14.30 C ATOM 452 CZ TYR A 32 -1.628 -2.215 -7.045 1.00 40.20 C ATOM 453 OH TYR A 32 -1.635 -3.081 -8.114 1.00 71.30 O ATOM 0 H TYR A 32 -3.665 1.879 -3.780 1.00 2.23 H new ATOM 0 HA TYR A 32 -3.103 -0.755 -2.796 1.00 41.50 H new ATOM 0 HB2 TYR A 32 -1.629 1.512 -4.082 1.00 2.32 H new ATOM 0 HB3 TYR A 32 -0.672 0.368 -3.161 1.00 2.32 H new ATOM 0 HD1 TYR A 32 -2.054 -2.196 -3.709 1.00 62.30 H new ATOM 0 HD2 TYR A 32 -1.178 1.042 -6.338 1.00 61.50 H new ATOM 0 HE1 TYR A 32 -2.064 -3.743 -5.616 1.00 50.50 H new ATOM 0 HE2 TYR A 32 -1.190 -0.503 -8.247 1.00 14.30 H new ATOM 0 HH TYR A 32 -1.448 -2.585 -8.938 1.00 71.30 H new ATOM 463 N GLN A 33 -2.161 1.865 -1.014 1.00 1.52 N ATOM 464 CA GLN A 33 -1.740 2.285 0.318 1.00 61.30 C ATOM 465 C GLN A 33 -2.741 1.831 1.375 1.00 44.40 C ATOM 466 O GLN A 33 -2.360 1.441 2.479 1.00 15.20 O ATOM 467 CB GLN A 33 -1.580 3.805 0.369 1.00 13.40 C ATOM 468 CG GLN A 33 -2.843 4.562 -0.010 1.00 11.40 C ATOM 469 CD GLN A 33 -2.692 6.063 0.145 1.00 52.40 C ATOM 470 OE1 GLN A 33 -3.546 6.727 0.731 1.00 64.50 O ATOM 471 NE2 GLN A 33 -1.600 6.605 -0.381 1.00 4.11 N ATOM 0 H GLN A 33 -2.304 2.631 -1.672 1.00 1.52 H new ATOM 0 HA GLN A 33 -0.779 1.818 0.531 1.00 61.30 H new ATOM 0 HB2 GLN A 33 -1.279 4.097 1.375 1.00 13.40 H new ATOM 0 HB3 GLN A 33 -0.774 4.100 -0.303 1.00 13.40 H new ATOM 0 HG2 GLN A 33 -3.104 4.332 -1.043 1.00 11.40 H new ATOM 0 HG3 GLN A 33 -3.669 4.218 0.612 1.00 11.40 H new ATOM 0 HE21 GLN A 33 -0.918 6.016 -0.859 1.00 4.11 H new ATOM 0 HE22 GLN A 33 -1.443 7.610 -0.307 1.00 4.11 H new ATOM 480 N HIS A 34 -4.023 1.884 1.030 1.00 4.33 N ATOM 481 CA HIS A 34 -5.080 1.478 1.949 1.00 62.10 C ATOM 482 C HIS A 34 -4.978 -0.009 2.274 1.00 40.40 C ATOM 483 O HIS A 34 -5.122 -0.414 3.427 1.00 72.40 O ATOM 484 CB HIS A 34 -6.453 1.789 1.351 1.00 1.20 C ATOM 485 CG HIS A 34 -7.457 2.246 2.362 1.00 1.13 C ATOM 486 ND1 HIS A 34 -7.476 3.524 2.880 1.00 52.30 N ATOM 487 CD2 HIS A 34 -8.483 1.588 2.953 1.00 74.20 C ATOM 488 CE1 HIS A 34 -8.469 3.632 3.745 1.00 2.35 C ATOM 489 NE2 HIS A 34 -9.095 2.472 3.807 1.00 61.40 N ATOM 0 H HIS A 34 -4.355 2.204 0.120 1.00 4.33 H new ATOM 0 HA HIS A 34 -4.959 2.042 2.874 1.00 62.10 H new ATOM 0 HB2 HIS A 34 -6.342 2.559 0.588 1.00 1.20 H new ATOM 0 HB3 HIS A 34 -6.833 0.898 0.851 1.00 1.20 H new ATOM 0 HD2 HIS A 34 -8.767 0.560 2.784 1.00 74.20 H new ATOM 0 HE1 HIS A 34 -8.725 4.519 4.306 1.00 2.35 H new ATOM 0 HE2 HIS A 34 -9.903 2.265 4.394 1.00 61.40 H new ATOM 498 N ALA A 35 -4.729 -0.817 1.249 1.00 52.30 N ATOM 499 CA ALA A 35 -4.608 -2.259 1.425 1.00 11.10 C ATOM 500 C ALA A 35 -3.314 -2.618 2.147 1.00 22.30 C ATOM 501 O ALA A 35 -3.311 -3.439 3.064 1.00 2.12 O ATOM 502 CB ALA A 35 -4.675 -2.962 0.077 1.00 5.11 C ATOM 0 H ALA A 35 -4.607 -0.498 0.288 1.00 52.30 H new ATOM 0 HA ALA A 35 -5.442 -2.596 2.041 1.00 11.10 H new ATOM 0 HB1 ALA A 35 -4.583 -4.038 0.223 1.00 5.11 H new ATOM 0 HB2 ALA A 35 -5.629 -2.741 -0.402 1.00 5.11 H new ATOM 0 HB3 ALA A 35 -3.861 -2.611 -0.557 1.00 5.11 H new ATOM 508 N VAL A 36 -2.216 -1.998 1.728 1.00 44.00 N ATOM 509 CA VAL A 36 -0.916 -2.252 2.336 1.00 55.30 C ATOM 510 C VAL A 36 -0.920 -1.882 3.816 1.00 62.20 C ATOM 511 O VAL A 36 -0.309 -2.565 4.638 1.00 23.40 O ATOM 512 CB VAL A 36 0.202 -1.466 1.625 1.00 61.50 C ATOM 513 CG1 VAL A 36 1.566 -1.857 2.174 1.00 24.10 C ATOM 514 CG2 VAL A 36 0.142 -1.691 0.121 1.00 13.00 C ATOM 0 H VAL A 36 -2.201 -1.316 0.970 1.00 44.00 H new ATOM 0 HA VAL A 36 -0.722 -3.319 2.231 1.00 55.30 H new ATOM 0 HB VAL A 36 0.050 -0.404 1.817 1.00 61.50 H new ATOM 0 HG11 VAL A 36 2.342 -1.291 1.659 1.00 24.10 H new ATOM 0 HG12 VAL A 36 1.605 -1.638 3.241 1.00 24.10 H new ATOM 0 HG13 VAL A 36 1.730 -2.923 2.016 1.00 24.10 H new ATOM 0 HG21 VAL A 36 0.940 -1.128 -0.363 1.00 13.00 H new ATOM 0 HG22 VAL A 36 0.266 -2.753 -0.093 1.00 13.00 H new ATOM 0 HG23 VAL A 36 -0.823 -1.354 -0.259 1.00 13.00 H new ATOM 524 N GLU A 37 -1.613 -0.798 4.147 1.00 65.40 N ATOM 525 CA GLU A 37 -1.697 -0.337 5.528 1.00 5.45 C ATOM 526 C GLU A 37 -2.435 -1.351 6.396 1.00 64.10 C ATOM 527 O GLU A 37 -2.051 -1.602 7.539 1.00 71.20 O ATOM 528 CB GLU A 37 -2.403 1.018 5.594 1.00 34.30 C ATOM 529 CG GLU A 37 -2.357 1.662 6.970 1.00 61.40 C ATOM 530 CD GLU A 37 -3.635 1.448 7.757 1.00 51.20 C ATOM 531 OE1 GLU A 37 -4.047 0.279 7.913 1.00 52.30 O ATOM 532 OE2 GLU A 37 -4.224 2.449 8.216 1.00 33.20 O ATOM 0 H GLU A 37 -2.125 -0.222 3.478 1.00 65.40 H new ATOM 0 HA GLU A 37 -0.682 -0.229 5.911 1.00 5.45 H new ATOM 0 HB2 GLU A 37 -1.945 1.693 4.871 1.00 34.30 H new ATOM 0 HB3 GLU A 37 -3.444 0.891 5.296 1.00 34.30 H new ATOM 0 HG2 GLU A 37 -1.517 1.253 7.531 1.00 61.40 H new ATOM 0 HG3 GLU A 37 -2.177 2.731 6.861 1.00 61.40 H new ATOM 539 N TYR A 38 -3.497 -1.931 5.846 1.00 45.30 N ATOM 540 CA TYR A 38 -4.290 -2.918 6.570 1.00 62.10 C ATOM 541 C TYR A 38 -3.520 -4.226 6.726 1.00 60.10 C ATOM 542 O TYR A 38 -3.661 -4.925 7.730 1.00 11.20 O ATOM 543 CB TYR A 38 -5.611 -3.174 5.844 1.00 54.20 C ATOM 544 CG TYR A 38 -6.730 -2.255 6.279 1.00 34.20 C ATOM 545 CD1 TYR A 38 -6.604 -0.876 6.169 1.00 31.40 C ATOM 546 CD2 TYR A 38 -7.912 -2.767 6.800 1.00 34.20 C ATOM 547 CE1 TYR A 38 -7.625 -0.033 6.566 1.00 33.00 C ATOM 548 CE2 TYR A 38 -8.937 -1.930 7.199 1.00 11.30 C ATOM 549 CZ TYR A 38 -8.789 -0.564 7.080 1.00 55.40 C ATOM 550 OH TYR A 38 -9.807 0.272 7.476 1.00 40.20 O ATOM 0 H TYR A 38 -3.828 -1.735 4.901 1.00 45.30 H new ATOM 0 HA TYR A 38 -4.501 -2.520 7.563 1.00 62.10 H new ATOM 0 HB2 TYR A 38 -5.454 -3.059 4.771 1.00 54.20 H new ATOM 0 HB3 TYR A 38 -5.914 -4.207 6.013 1.00 54.20 H new ATOM 0 HD1 TYR A 38 -5.694 -0.456 5.767 1.00 31.40 H new ATOM 0 HD2 TYR A 38 -8.032 -3.836 6.895 1.00 34.20 H new ATOM 0 HE1 TYR A 38 -7.511 1.037 6.474 1.00 33.00 H new ATOM 0 HE2 TYR A 38 -9.850 -2.344 7.602 1.00 11.30 H new ATOM 0 HH TYR A 38 -10.556 -0.262 7.814 1.00 40.20 H new ATOM 560 N PHE A 39 -2.706 -4.550 5.727 1.00 63.00 N ATOM 561 CA PHE A 39 -1.913 -5.774 5.754 1.00 5.44 C ATOM 562 C PHE A 39 -0.964 -5.781 6.947 1.00 32.30 C ATOM 563 O PHE A 39 -0.960 -6.720 7.744 1.00 30.50 O ATOM 564 CB PHE A 39 -1.119 -5.920 4.454 1.00 51.00 C ATOM 565 CG PHE A 39 -1.843 -6.699 3.393 1.00 44.00 C ATOM 566 CD1 PHE A 39 -2.445 -7.911 3.695 1.00 53.10 C ATOM 567 CD2 PHE A 39 -1.921 -6.221 2.096 1.00 11.00 C ATOM 568 CE1 PHE A 39 -3.111 -8.630 2.721 1.00 2.14 C ATOM 569 CE2 PHE A 39 -2.586 -6.935 1.117 1.00 41.10 C ATOM 570 CZ PHE A 39 -3.182 -8.142 1.431 1.00 25.30 C ATOM 0 H PHE A 39 -2.578 -3.983 4.889 1.00 63.00 H new ATOM 0 HA PHE A 39 -2.596 -6.618 5.852 1.00 5.44 H new ATOM 0 HB2 PHE A 39 -0.884 -4.928 4.068 1.00 51.00 H new ATOM 0 HB3 PHE A 39 -0.170 -6.411 4.670 1.00 51.00 H new ATOM 0 HD1 PHE A 39 -2.393 -8.297 4.702 1.00 53.10 H new ATOM 0 HD2 PHE A 39 -1.456 -5.279 1.846 1.00 11.00 H new ATOM 0 HE1 PHE A 39 -3.576 -9.573 2.968 1.00 2.14 H new ATOM 0 HE2 PHE A 39 -2.640 -6.551 0.109 1.00 41.10 H new ATOM 0 HZ PHE A 39 -3.702 -8.703 0.669 1.00 25.30 H new ATOM 580 N LEU A 40 -0.160 -4.730 7.065 1.00 74.40 N ATOM 581 CA LEU A 40 0.794 -4.615 8.161 1.00 0.14 C ATOM 582 C LEU A 40 0.078 -4.621 9.508 1.00 31.40 C ATOM 583 O LEU A 40 0.585 -5.165 10.490 1.00 13.40 O ATOM 584 CB LEU A 40 1.621 -3.336 8.015 1.00 52.00 C ATOM 585 CG LEU A 40 2.260 -3.132 6.641 1.00 55.30 C ATOM 586 CD1 LEU A 40 3.045 -1.830 6.605 1.00 40.00 C ATOM 587 CD2 LEU A 40 3.160 -4.308 6.293 1.00 23.30 C ATOM 0 H LEU A 40 -0.150 -3.945 6.414 1.00 74.40 H new ATOM 0 HA LEU A 40 1.461 -5.476 8.120 1.00 0.14 H new ATOM 0 HB2 LEU A 40 0.981 -2.481 8.232 1.00 52.00 H new ATOM 0 HB3 LEU A 40 2.409 -3.343 8.768 1.00 52.00 H new ATOM 0 HG LEU A 40 1.466 -3.074 5.897 1.00 55.30 H new ATOM 0 HD11 LEU A 40 3.493 -1.702 5.619 1.00 40.00 H new ATOM 0 HD12 LEU A 40 2.375 -0.995 6.810 1.00 40.00 H new ATOM 0 HD13 LEU A 40 3.831 -1.858 7.359 1.00 40.00 H new ATOM 0 HD21 LEU A 40 3.607 -4.146 5.312 1.00 23.30 H new ATOM 0 HD22 LEU A 40 3.948 -4.397 7.041 1.00 23.30 H new ATOM 0 HD23 LEU A 40 2.571 -5.225 6.277 1.00 23.30 H new ATOM 599 N HIS A 41 -1.102 -4.012 9.548 1.00 43.40 N ATOM 600 CA HIS A 41 -1.888 -3.947 10.774 1.00 31.30 C ATOM 601 C HIS A 41 -2.255 -5.345 11.261 1.00 71.50 C ATOM 602 O HIS A 41 -2.383 -5.582 12.462 1.00 52.10 O ATOM 603 CB HIS A 41 -3.157 -3.123 10.548 1.00 3.25 C ATOM 604 CG HIS A 41 -3.540 -2.279 11.724 1.00 22.20 C ATOM 605 ND1 HIS A 41 -4.536 -2.630 12.611 1.00 51.10 N ATOM 606 CD2 HIS A 41 -3.053 -1.092 12.159 1.00 51.20 C ATOM 607 CE1 HIS A 41 -4.647 -1.696 13.539 1.00 61.30 C ATOM 608 NE2 HIS A 41 -3.758 -0.753 13.288 1.00 72.50 N ATOM 0 H HIS A 41 -1.535 -3.556 8.745 1.00 43.40 H new ATOM 0 HA HIS A 41 -1.281 -3.464 11.540 1.00 31.30 H new ATOM 0 HB2 HIS A 41 -3.012 -2.479 9.681 1.00 3.25 H new ATOM 0 HB3 HIS A 41 -3.980 -3.797 10.311 1.00 3.25 H new ATOM 0 HD2 HIS A 41 -2.259 -0.519 11.703 1.00 51.20 H new ATOM 0 HE1 HIS A 41 -5.346 -1.703 14.362 1.00 61.30 H new ATOM 0 HE2 HIS A 41 -3.617 0.091 13.843 1.00 72.50 H new ATOM 617 N ALA A 42 -2.424 -6.268 10.319 1.00 61.50 N ATOM 618 CA ALA A 42 -2.777 -7.643 10.652 1.00 74.40 C ATOM 619 C ALA A 42 -1.556 -8.425 11.125 1.00 10.30 C ATOM 620 O ALA A 42 -1.672 -9.347 11.932 1.00 43.40 O ATOM 621 CB ALA A 42 -3.413 -8.329 9.452 1.00 13.00 C ATOM 0 H ALA A 42 -2.322 -6.088 9.320 1.00 61.50 H new ATOM 0 HA ALA A 42 -3.499 -7.619 11.469 1.00 74.40 H new ATOM 0 HB1 ALA A 42 -3.672 -9.355 9.714 1.00 13.00 H new ATOM 0 HB2 ALA A 42 -4.315 -7.790 9.161 1.00 13.00 H new ATOM 0 HB3 ALA A 42 -2.709 -8.334 8.620 1.00 13.00 H new ATOM 627 N ILE A 43 -0.386 -8.052 10.617 1.00 23.10 N ATOM 628 CA ILE A 43 0.856 -8.720 10.987 1.00 22.10 C ATOM 629 C ILE A 43 1.292 -8.327 12.395 1.00 3.20 C ATOM 630 O ILE A 43 1.899 -9.123 13.112 1.00 14.20 O ATOM 631 CB ILE A 43 1.990 -8.388 9.999 1.00 4.44 C ATOM 632 CG1 ILE A 43 1.525 -8.612 8.559 1.00 61.30 C ATOM 633 CG2 ILE A 43 3.221 -9.231 10.300 1.00 33.20 C ATOM 634 CD1 ILE A 43 2.370 -7.891 7.531 1.00 52.50 C ATOM 0 H ILE A 43 -0.272 -7.291 9.948 1.00 23.10 H new ATOM 0 HA ILE A 43 0.660 -9.792 10.955 1.00 22.10 H new ATOM 0 HB ILE A 43 2.256 -7.337 10.116 1.00 4.44 H new ATOM 0 HG12 ILE A 43 1.539 -9.680 8.344 1.00 61.30 H new ATOM 0 HG13 ILE A 43 0.491 -8.281 8.464 1.00 61.30 H new ATOM 0 HG21 ILE A 43 4.013 -8.984 9.593 1.00 33.20 H new ATOM 0 HG22 ILE A 43 3.563 -9.026 11.314 1.00 33.20 H new ATOM 0 HG23 ILE A 43 2.970 -10.288 10.209 1.00 33.20 H new ATOM 0 HD11 ILE A 43 1.982 -8.095 6.533 1.00 52.50 H new ATOM 0 HD12 ILE A 43 2.337 -6.818 7.721 1.00 52.50 H new ATOM 0 HD13 ILE A 43 3.401 -8.240 7.598 1.00 52.50 H new ATOM 646 N LYS A 44 0.979 -7.096 12.784 1.00 14.10 N ATOM 647 CA LYS A 44 1.339 -6.598 14.107 1.00 11.20 C ATOM 648 C LYS A 44 0.363 -7.103 15.164 1.00 5.42 C ATOM 649 O LYS A 44 0.738 -7.323 16.315 1.00 20.40 O ATOM 650 CB LYS A 44 1.365 -5.068 14.109 1.00 2.51 C ATOM 651 CG LYS A 44 0.067 -4.437 13.634 1.00 72.20 C ATOM 652 CD LYS A 44 0.060 -2.935 13.866 1.00 53.10 C ATOM 653 CE LYS A 44 -0.594 -2.579 15.191 1.00 43.20 C ATOM 654 NZ LYS A 44 0.411 -2.392 16.274 1.00 25.10 N ATOM 0 H LYS A 44 0.477 -6.425 12.203 1.00 14.10 H new ATOM 0 HA LYS A 44 2.334 -6.972 14.350 1.00 11.20 H new ATOM 0 HB2 LYS A 44 1.581 -4.718 15.118 1.00 2.51 H new ATOM 0 HB3 LYS A 44 2.180 -4.726 13.471 1.00 2.51 H new ATOM 0 HG2 LYS A 44 -0.072 -4.643 12.573 1.00 72.20 H new ATOM 0 HG3 LYS A 44 -0.773 -4.891 14.159 1.00 72.20 H new ATOM 0 HD2 LYS A 44 1.083 -2.559 13.851 1.00 53.10 H new ATOM 0 HD3 LYS A 44 -0.472 -2.443 13.052 1.00 53.10 H new ATOM 0 HE2 LYS A 44 -1.176 -1.665 15.074 1.00 43.20 H new ATOM 0 HE3 LYS A 44 -1.291 -3.367 15.475 1.00 43.20 H new ATOM 0 HZ1 LYS A 44 -0.038 -1.926 17.088 1.00 25.10 H new ATOM 0 HZ2 LYS A 44 0.782 -3.318 16.567 1.00 25.10 H new ATOM 0 HZ3 LYS A 44 1.192 -1.801 15.924 1.00 25.10 H new ATOM 668 N TYR A 45 -0.892 -7.284 14.764 1.00 14.20 N ATOM 669 CA TYR A 45 -1.923 -7.764 15.678 1.00 74.30 C ATOM 670 C TYR A 45 -1.844 -9.279 15.840 1.00 5.15 C ATOM 671 O TYR A 45 -1.382 -9.780 16.865 1.00 1.13 O ATOM 672 CB TYR A 45 -3.310 -7.363 15.170 1.00 34.20 C ATOM 673 CG TYR A 45 -3.842 -6.095 15.799 1.00 71.20 C ATOM 674 CD1 TYR A 45 -3.430 -4.847 15.348 1.00 62.40 C ATOM 675 CD2 TYR A 45 -4.756 -6.146 16.844 1.00 23.50 C ATOM 676 CE1 TYR A 45 -3.914 -3.686 15.920 1.00 42.30 C ATOM 677 CE2 TYR A 45 -5.244 -4.989 17.421 1.00 34.30 C ATOM 678 CZ TYR A 45 -4.820 -3.762 16.956 1.00 44.10 C ATOM 679 OH TYR A 45 -5.305 -2.608 17.528 1.00 62.20 O ATOM 0 H TYR A 45 -1.219 -7.106 13.814 1.00 14.20 H new ATOM 0 HA TYR A 45 -1.754 -7.305 16.652 1.00 74.30 H new ATOM 0 HB2 TYR A 45 -3.268 -7.232 14.089 1.00 34.20 H new ATOM 0 HB3 TYR A 45 -4.009 -8.176 15.366 1.00 34.20 H new ATOM 0 HD1 TYR A 45 -2.720 -4.783 14.537 1.00 62.40 H new ATOM 0 HD2 TYR A 45 -5.090 -7.105 17.211 1.00 23.50 H new ATOM 0 HE1 TYR A 45 -3.584 -2.724 15.557 1.00 42.30 H new ATOM 0 HE2 TYR A 45 -5.954 -5.046 18.233 1.00 34.30 H new ATOM 0 HH TYR A 45 -5.934 -2.837 18.243 1.00 62.20 H new ATOM 689 N GLU A 46 -2.298 -10.000 14.822 1.00 74.40 N ATOM 690 CA GLU A 46 -2.279 -11.460 14.852 1.00 23.00 C ATOM 691 C GLU A 46 -1.668 -12.020 13.572 1.00 3.22 C ATOM 692 O GLU A 46 -2.136 -11.730 12.471 1.00 50.10 O ATOM 693 CB GLU A 46 -3.697 -12.000 15.037 1.00 22.20 C ATOM 694 CG GLU A 46 -3.739 -13.480 15.365 1.00 4.50 C ATOM 695 CD GLU A 46 -5.141 -13.970 15.677 1.00 45.40 C ATOM 696 OE1 GLU A 46 -6.000 -13.130 16.017 1.00 11.30 O ATOM 697 OE2 GLU A 46 -5.379 -15.190 15.582 1.00 70.30 O ATOM 0 H GLU A 46 -2.683 -9.600 13.966 1.00 74.40 H new ATOM 0 HA GLU A 46 -1.664 -11.778 15.694 1.00 23.00 H new ATOM 0 HB2 GLU A 46 -4.188 -11.444 15.836 1.00 22.20 H new ATOM 0 HB3 GLU A 46 -4.268 -11.821 14.126 1.00 22.20 H new ATOM 0 HG2 GLU A 46 -3.339 -14.046 14.524 1.00 4.50 H new ATOM 0 HG3 GLU A 46 -3.091 -13.678 16.219 1.00 4.50 H new ATOM 704 N ALA A 47 -0.621 -12.820 13.727 1.00 43.00 N ATOM 705 CA ALA A 47 0.054 -13.430 12.585 1.00 71.20 C ATOM 706 C ALA A 47 0.010 -14.950 12.663 1.00 11.40 C ATOM 707 O ALA A 47 -0.445 -15.520 13.657 1.00 4.02 O ATOM 708 CB ALA A 47 1.494 -12.940 12.507 1.00 74.10 C ATOM 0 H ALA A 47 -0.219 -13.063 14.633 1.00 43.00 H new ATOM 0 HA ALA A 47 -0.472 -13.130 11.679 1.00 71.20 H new ATOM 0 HB1 ALA A 47 1.989 -13.400 11.652 1.00 74.10 H new ATOM 0 HB2 ALA A 47 1.504 -11.856 12.392 1.00 74.10 H new ATOM 0 HB3 ALA A 47 2.021 -13.212 13.421 1.00 74.10 H new ATOM 714 N HIS A 48 0.485 -15.600 11.609 1.00 42.20 N ATOM 715 CA HIS A 48 0.500 -17.060 11.559 1.00 60.20 C ATOM 716 C HIS A 48 1.812 -17.610 12.108 1.00 41.40 C ATOM 717 O HIS A 48 1.816 -18.520 12.942 1.00 2.31 O ATOM 718 CB HIS A 48 0.291 -17.550 10.123 1.00 42.10 C ATOM 719 CG HIS A 48 -1.141 -17.530 9.688 1.00 24.10 C ATOM 720 ND1 HIS A 48 -1.728 -16.440 9.073 1.00 63.10 N ATOM 721 CD2 HIS A 48 -2.107 -18.470 9.780 1.00 22.20 C ATOM 722 CE1 HIS A 48 -2.992 -16.720 8.807 1.00 60.40 C ATOM 723 NE2 HIS A 48 -3.247 -17.940 9.225 1.00 75.40 N ATOM 0 H HIS A 48 0.864 -15.144 10.779 1.00 42.20 H new ATOM 0 HA HIS A 48 -0.317 -17.425 12.181 1.00 60.20 H new ATOM 0 HB2 HIS A 48 0.877 -16.928 9.446 1.00 42.10 H new ATOM 0 HB3 HIS A 48 0.675 -18.566 10.035 1.00 42.10 H new ATOM 0 HD2 HIS A 48 -2.003 -19.455 10.210 1.00 22.20 H new ATOM 0 HE1 HIS A 48 -3.697 -16.058 8.327 1.00 60.40 H new ATOM 0 HE2 HIS A 48 -4.146 -18.416 9.150 1.00 75.40 H new ATOM 732 N SER A 49 2.924 -17.060 11.636 1.00 4.25 N ATOM 733 CA SER A 49 4.243 -17.490 12.079 1.00 5.21 C ATOM 734 C SER A 49 5.338 -16.640 11.454 1.00 44.50 C ATOM 735 O SER A 49 5.057 -15.720 10.678 1.00 50.20 O ATOM 736 CB SER A 49 4.464 -18.960 11.722 1.00 11.10 C ATOM 737 OG SER A 49 3.739 -19.320 10.559 1.00 21.30 O ATOM 0 H SER A 49 2.937 -16.312 10.943 1.00 4.25 H new ATOM 0 HA SER A 49 4.290 -17.368 13.161 1.00 5.21 H new ATOM 0 HB2 SER A 49 5.527 -19.142 11.562 1.00 11.10 H new ATOM 0 HB3 SER A 49 4.155 -19.590 12.556 1.00 11.10 H new ATOM 0 HG SER A 49 3.900 -20.264 10.353 1.00 21.30 H new ATOM 743 N ASP A 50 6.586 -16.940 11.796 1.00 21.10 N ATOM 744 CA ASP A 50 7.724 -16.190 11.268 1.00 12.10 C ATOM 745 C ASP A 50 7.782 -16.290 9.748 1.00 55.40 C ATOM 746 O ASP A 50 7.873 -15.280 9.050 1.00 42.20 O ATOM 747 CB ASP A 50 9.027 -16.710 11.876 1.00 55.00 C ATOM 748 CG ASP A 50 10.037 -15.610 12.115 1.00 75.10 C ATOM 749 OD1 ASP A 50 9.680 -14.610 12.778 1.00 14.40 O ATOM 750 OD2 ASP A 50 11.184 -15.740 11.639 1.00 70.30 O ATOM 0 H ASP A 50 6.837 -17.695 12.435 1.00 21.10 H new ATOM 0 HA ASP A 50 7.597 -15.142 11.540 1.00 12.10 H new ATOM 0 HB2 ASP A 50 8.809 -17.210 12.820 1.00 55.00 H new ATOM 0 HB3 ASP A 50 9.460 -17.458 11.212 1.00 55.00 H new ATOM 755 N LYS A 51 7.729 -17.520 9.240 1.00 31.20 N ATOM 756 CA LYS A 51 7.776 -17.760 7.801 1.00 44.10 C ATOM 757 C LYS A 51 6.607 -17.070 7.100 1.00 11.50 C ATOM 758 O LYS A 51 6.797 -16.330 6.139 1.00 62.40 O ATOM 759 CB LYS A 51 7.753 -19.260 7.507 1.00 31.00 C ATOM 760 CG LYS A 51 8.599 -19.660 6.308 1.00 43.40 C ATOM 761 CD LYS A 51 8.453 -21.130 5.990 1.00 21.00 C ATOM 762 CE LYS A 51 9.775 -21.740 5.551 1.00 74.20 C ATOM 763 NZ LYS A 51 10.186 -21.260 4.202 1.00 73.40 N ATOM 0 H LYS A 51 7.653 -18.366 9.805 1.00 31.20 H new ATOM 0 HA LYS A 51 8.707 -17.342 7.418 1.00 44.10 H new ATOM 0 HB2 LYS A 51 8.106 -19.799 8.386 1.00 31.00 H new ATOM 0 HB3 LYS A 51 6.723 -19.572 7.334 1.00 31.00 H new ATOM 0 HG2 LYS A 51 8.305 -19.069 5.441 1.00 43.40 H new ATOM 0 HG3 LYS A 51 9.646 -19.433 6.509 1.00 43.40 H new ATOM 0 HD2 LYS A 51 8.081 -21.658 6.868 1.00 21.00 H new ATOM 0 HD3 LYS A 51 7.711 -21.261 5.202 1.00 21.00 H new ATOM 0 HE2 LYS A 51 10.549 -21.490 6.277 1.00 74.20 H new ATOM 0 HE3 LYS A 51 9.688 -22.826 5.539 1.00 74.20 H new ATOM 0 HZ1 LYS A 51 11.092 -21.698 3.939 1.00 73.40 H new ATOM 0 HZ2 LYS A 51 9.460 -21.520 3.505 1.00 73.40 H new ATOM 0 HZ3 LYS A 51 10.294 -20.226 4.220 1.00 73.40 H new ATOM 777 N ALA A 52 5.398 -17.330 7.587 1.00 31.00 N ATOM 778 CA ALA A 52 4.198 -16.740 7.008 1.00 44.20 C ATOM 779 C ALA A 52 4.251 -15.210 7.073 1.00 43.20 C ATOM 780 O ALA A 52 3.919 -14.530 6.106 1.00 5.02 O ATOM 781 CB ALA A 52 2.958 -17.260 7.720 1.00 4.34 C ATOM 0 H ALA A 52 5.224 -17.946 8.381 1.00 31.00 H new ATOM 0 HA ALA A 52 4.148 -17.031 5.959 1.00 44.20 H new ATOM 0 HB1 ALA A 52 2.069 -16.811 7.277 1.00 4.34 H new ATOM 0 HB2 ALA A 52 2.907 -18.344 7.617 1.00 4.34 H new ATOM 0 HB3 ALA A 52 3.009 -16.998 8.777 1.00 4.34 H new ATOM 787 N LYS A 53 4.670 -14.690 8.221 1.00 22.30 N ATOM 788 CA LYS A 53 4.766 -13.250 8.413 1.00 34.40 C ATOM 789 C LYS A 53 5.724 -12.630 7.402 1.00 54.20 C ATOM 790 O LYS A 53 5.445 -11.570 6.837 1.00 45.20 O ATOM 791 CB LYS A 53 5.232 -12.930 9.835 1.00 21.20 C ATOM 792 CG LYS A 53 4.097 -12.840 10.841 1.00 63.10 C ATOM 793 CD LYS A 53 4.397 -11.820 11.925 1.00 53.20 C ATOM 794 CE LYS A 53 5.169 -12.440 13.078 1.00 33.20 C ATOM 795 NZ LYS A 53 6.296 -13.280 12.599 1.00 53.10 N ATOM 0 H LYS A 53 4.948 -15.244 9.031 1.00 22.30 H new ATOM 0 HA LYS A 53 3.775 -12.823 8.260 1.00 34.40 H new ATOM 0 HB2 LYS A 53 5.934 -13.698 10.160 1.00 21.20 H new ATOM 0 HB3 LYS A 53 5.775 -11.985 9.827 1.00 21.20 H new ATOM 0 HG2 LYS A 53 3.175 -12.567 10.328 1.00 63.10 H new ATOM 0 HG3 LYS A 53 3.932 -13.817 11.295 1.00 63.10 H new ATOM 0 HD2 LYS A 53 4.973 -10.997 11.502 1.00 53.20 H new ATOM 0 HD3 LYS A 53 3.463 -11.398 12.297 1.00 53.20 H new ATOM 0 HE2 LYS A 53 5.553 -11.651 13.724 1.00 33.20 H new ATOM 0 HE3 LYS A 53 4.495 -13.047 13.682 1.00 33.20 H new ATOM 0 HZ1 LYS A 53 6.897 -13.546 13.405 1.00 53.10 H new ATOM 0 HZ2 LYS A 53 5.921 -14.139 12.148 1.00 53.10 H new ATOM 0 HZ3 LYS A 53 6.860 -12.744 11.909 1.00 53.10 H new ATOM 809 N GLU A 54 6.853 -13.290 7.178 1.00 11.10 N ATOM 810 CA GLU A 54 7.852 -12.800 6.234 1.00 52.20 C ATOM 811 C GLU A 54 7.269 -12.700 4.829 1.00 42.40 C ATOM 812 O GLU A 54 7.663 -11.840 4.044 1.00 21.30 O ATOM 813 CB GLU A 54 9.071 -13.730 6.227 1.00 64.50 C ATOM 814 CG GLU A 54 10.388 -13.000 6.027 1.00 54.10 C ATOM 815 CD GLU A 54 11.477 -13.900 5.476 1.00 63.20 C ATOM 816 OE1 GLU A 54 12.198 -14.520 6.283 1.00 5.32 O ATOM 817 OE2 GLU A 54 11.609 -13.980 4.237 1.00 43.30 O ATOM 0 H GLU A 54 7.101 -14.167 7.637 1.00 11.10 H new ATOM 0 HA GLU A 54 8.161 -11.804 6.551 1.00 52.20 H new ATOM 0 HB2 GLU A 54 9.107 -14.276 7.170 1.00 64.50 H new ATOM 0 HB3 GLU A 54 8.950 -14.469 5.435 1.00 64.50 H new ATOM 0 HG2 GLU A 54 10.235 -12.163 5.346 1.00 54.10 H new ATOM 0 HG3 GLU A 54 10.715 -12.581 6.979 1.00 54.10 H new ATOM 824 N SER A 55 6.329 -13.590 4.518 1.00 64.00 N ATOM 825 CA SER A 55 5.691 -13.600 3.207 1.00 34.10 C ATOM 826 C SER A 55 4.788 -12.380 3.032 1.00 55.20 C ATOM 827 O SER A 55 4.678 -11.830 1.937 1.00 2.02 O ATOM 828 CB SER A 55 4.879 -14.880 3.021 1.00 20.40 C ATOM 829 OG SER A 55 4.367 -14.970 1.703 1.00 61.30 O ATOM 0 H SER A 55 5.994 -14.312 5.156 1.00 64.00 H new ATOM 0 HA SER A 55 6.474 -13.563 2.450 1.00 34.10 H new ATOM 0 HB2 SER A 55 5.506 -15.746 3.231 1.00 20.40 H new ATOM 0 HB3 SER A 55 4.057 -14.900 3.736 1.00 20.40 H new ATOM 0 HG SER A 55 3.852 -15.798 1.608 1.00 61.30 H new ATOM 835 N ILE A 56 4.143 -11.970 4.118 1.00 3.33 N ATOM 836 CA ILE A 56 3.249 -10.820 4.085 1.00 14.10 C ATOM 837 C ILE A 56 4.035 -9.518 3.979 1.00 3.51 C ATOM 838 O ILE A 56 3.563 -8.542 3.396 1.00 1.54 O ATOM 839 CB ILE A 56 2.354 -10.760 5.338 1.00 52.20 C ATOM 840 CG1 ILE A 56 1.696 -12.120 5.580 1.00 71.40 C ATOM 841 CG2 ILE A 56 1.300 -9.680 5.190 1.00 1.23 C ATOM 842 CD1 ILE A 56 0.812 -12.150 6.808 1.00 62.00 C ATOM 0 H ILE A 56 4.223 -12.417 5.031 1.00 3.33 H new ATOM 0 HA ILE A 56 2.618 -10.939 3.204 1.00 14.10 H new ATOM 0 HB ILE A 56 2.976 -10.514 6.198 1.00 52.20 H new ATOM 0 HG12 ILE A 56 1.101 -12.388 4.707 1.00 71.40 H new ATOM 0 HG13 ILE A 56 2.473 -12.878 5.682 1.00 71.40 H new ATOM 0 HG21 ILE A 56 0.678 -9.653 6.085 1.00 1.23 H new ATOM 0 HG22 ILE A 56 1.786 -8.713 5.057 1.00 1.23 H new ATOM 0 HG23 ILE A 56 0.677 -9.896 4.322 1.00 1.23 H new ATOM 0 HD11 ILE A 56 0.378 -13.144 6.919 1.00 62.00 H new ATOM 0 HD12 ILE A 56 1.407 -11.913 7.690 1.00 62.00 H new ATOM 0 HD13 ILE A 56 0.014 -11.415 6.700 1.00 62.00 H new ATOM 854 N ARG A 57 5.237 -9.510 4.547 1.00 62.20 N ATOM 855 CA ARG A 57 6.088 -8.326 4.517 1.00 42.20 C ATOM 856 C ARG A 57 6.654 -8.099 3.119 1.00 51.40 C ATOM 857 O ARG A 57 6.574 -6.996 2.577 1.00 31.10 O ATOM 858 CB ARG A 57 7.228 -8.466 5.528 1.00 14.10 C ATOM 859 CG ARG A 57 6.973 -7.736 6.837 1.00 22.20 C ATOM 860 CD ARG A 57 6.644 -8.703 7.962 1.00 60.10 C ATOM 861 NE ARG A 57 7.835 -9.386 8.463 1.00 51.10 N ATOM 862 CZ ARG A 57 7.900 -9.994 9.645 1.00 61.40 C ATOM 863 NH1 ARG A 57 6.846 -10.000 10.451 1.00 71.00 N ATOM 864 NH2 ARG A 57 9.022 -10.590 10.022 1.00 33.10 N ATOM 0 H ARG A 57 5.643 -10.309 5.033 1.00 62.20 H new ATOM 0 HA ARG A 57 5.479 -7.463 4.786 1.00 42.20 H new ATOM 0 HB2 ARG A 57 7.390 -9.524 5.737 1.00 14.10 H new ATOM 0 HB3 ARG A 57 8.147 -8.085 5.082 1.00 14.10 H new ATOM 0 HG2 ARG A 57 7.853 -7.151 7.105 1.00 22.20 H new ATOM 0 HG3 ARG A 57 6.150 -7.033 6.708 1.00 22.20 H new ATOM 0 HD2 ARG A 57 6.167 -8.161 8.778 1.00 60.10 H new ATOM 0 HD3 ARG A 57 5.925 -9.441 7.607 1.00 60.10 H new ATOM 0 HE ARG A 57 8.666 -9.397 7.871 1.00 51.10 H new ATOM 0 HH11 ARG A 57 5.983 -9.538 10.165 1.00 71.00 H new ATOM 0 HH12 ARG A 57 6.899 -10.467 11.356 1.00 71.00 H new ATOM 0 HH21 ARG A 57 9.835 -10.583 9.406 1.00 33.10 H new ATOM 0 HH22 ARG A 57 9.072 -11.056 10.928 1.00 33.10 H new ATOM 878 N ALA A 58 7.228 -9.149 2.539 1.00 33.00 N ATOM 879 CA ALA A 58 7.809 -9.065 1.204 1.00 23.50 C ATOM 880 C ALA A 58 6.790 -8.551 0.192 1.00 71.30 C ATOM 881 O ALA A 58 7.096 -7.682 -0.625 1.00 63.10 O ATOM 882 CB ALA A 58 8.343 -10.420 0.775 1.00 43.10 C ATOM 0 H ALA A 58 7.303 -10.069 2.974 1.00 33.00 H new ATOM 0 HA ALA A 58 8.636 -8.356 1.239 1.00 23.50 H new ATOM 0 HB1 ALA A 58 8.774 -10.342 -0.223 1.00 43.10 H new ATOM 0 HB2 ALA A 58 9.110 -10.747 1.477 1.00 43.10 H new ATOM 0 HB3 ALA A 58 7.529 -11.145 0.763 1.00 43.10 H new ATOM 888 N LYS A 59 5.578 -9.092 0.253 1.00 41.30 N ATOM 889 CA LYS A 59 4.514 -8.687 -0.657 1.00 20.00 C ATOM 890 C LYS A 59 4.129 -7.230 -0.424 1.00 30.20 C ATOM 891 O LYS A 59 3.748 -6.520 -1.355 1.00 32.10 O ATOM 892 CB LYS A 59 3.290 -9.585 -0.477 1.00 12.30 C ATOM 893 CG LYS A 59 2.666 -9.494 0.906 1.00 34.50 C ATOM 894 CD LYS A 59 1.324 -10.200 0.960 1.00 62.20 C ATOM 895 CE LYS A 59 0.390 -9.556 1.969 1.00 55.00 C ATOM 896 NZ LYS A 59 -0.574 -10.530 2.543 1.00 11.10 N ATOM 0 H LYS A 59 5.308 -9.812 0.923 1.00 41.30 H new ATOM 0 HA LYS A 59 4.883 -8.790 -1.678 1.00 20.00 H new ATOM 0 HB2 LYS A 59 2.541 -9.318 -1.223 1.00 12.30 H new ATOM 0 HB3 LYS A 59 3.577 -10.619 -0.670 1.00 12.30 H new ATOM 0 HG2 LYS A 59 3.340 -9.936 1.640 1.00 34.50 H new ATOM 0 HG3 LYS A 59 2.538 -8.447 1.180 1.00 34.50 H new ATOM 0 HD2 LYS A 59 0.863 -10.180 -0.027 1.00 62.20 H new ATOM 0 HD3 LYS A 59 1.474 -11.248 1.220 1.00 62.20 H new ATOM 0 HE2 LYS A 59 0.977 -9.112 2.773 1.00 55.00 H new ATOM 0 HE3 LYS A 59 -0.158 -8.745 1.489 1.00 55.00 H new ATOM 0 HZ1 LYS A 59 -1.286 -10.023 3.107 1.00 11.10 H new ATOM 0 HZ2 LYS A 59 -1.046 -11.046 1.773 1.00 11.10 H new ATOM 0 HZ3 LYS A 59 -0.066 -11.204 3.151 1.00 11.10 H new ATOM 910 N CYS A 60 4.233 -6.791 0.826 1.00 1.05 N ATOM 911 CA CYS A 60 3.897 -5.418 1.185 1.00 71.30 C ATOM 912 C CYS A 60 4.966 -4.449 0.691 1.00 2.02 C ATOM 913 O CYS A 60 4.655 -3.385 0.156 1.00 52.30 O ATOM 914 CB CYS A 60 3.736 -5.289 2.700 1.00 61.40 C ATOM 915 SG CYS A 60 2.183 -5.961 3.338 1.00 13.30 S ATOM 0 H CYS A 60 4.547 -7.366 1.607 1.00 1.05 H new ATOM 0 HA CYS A 60 2.952 -5.164 0.704 1.00 71.30 H new ATOM 0 HB2 CYS A 60 4.567 -5.798 3.187 1.00 61.40 H new ATOM 0 HB3 CYS A 60 3.803 -4.236 2.973 1.00 61.40 H new ATOM 0 HG CYS A 60 2.294 -7.248 3.484 1.00 13.30 H new ATOM 921 N VAL A 61 6.228 -4.825 0.874 1.00 22.20 N ATOM 922 CA VAL A 61 7.344 -3.988 0.447 1.00 20.40 C ATOM 923 C VAL A 61 7.282 -3.712 -1.052 1.00 4.31 C ATOM 924 O VAL A 61 7.598 -2.612 -1.504 1.00 62.30 O ATOM 925 CB VAL A 61 8.698 -4.642 0.780 1.00 25.30 C ATOM 926 CG1 VAL A 61 9.839 -3.672 0.515 1.00 42.50 C ATOM 927 CG2 VAL A 61 8.720 -5.124 2.224 1.00 21.20 C ATOM 0 H VAL A 61 6.503 -5.703 1.315 1.00 22.20 H new ATOM 0 HA VAL A 61 7.259 -3.048 0.992 1.00 20.40 H new ATOM 0 HB VAL A 61 8.831 -5.508 0.132 1.00 25.30 H new ATOM 0 HG11 VAL A 61 10.788 -4.152 0.756 1.00 42.50 H new ATOM 0 HG12 VAL A 61 9.835 -3.384 -0.536 1.00 42.50 H new ATOM 0 HG13 VAL A 61 9.713 -2.784 1.135 1.00 42.50 H new ATOM 0 HG21 VAL A 61 9.685 -5.583 2.440 1.00 21.20 H new ATOM 0 HG22 VAL A 61 8.563 -4.278 2.893 1.00 21.20 H new ATOM 0 HG23 VAL A 61 7.928 -5.857 2.375 1.00 21.20 H new ATOM 937 N GLN A 62 6.872 -4.719 -1.817 1.00 43.50 N ATOM 938 CA GLN A 62 6.767 -4.585 -3.265 1.00 2.43 C ATOM 939 C GLN A 62 5.605 -3.673 -3.644 1.00 64.20 C ATOM 940 O GLN A 62 5.689 -2.911 -4.608 1.00 71.30 O ATOM 941 CB GLN A 62 6.586 -5.958 -3.914 1.00 12.30 C ATOM 942 CG GLN A 62 7.896 -6.632 -4.288 1.00 65.40 C ATOM 943 CD GLN A 62 7.789 -8.144 -4.305 1.00 51.20 C ATOM 944 OE1 GLN A 62 7.436 -8.765 -3.303 1.00 12.20 O ATOM 945 NE2 GLN A 62 8.096 -8.746 -5.449 1.00 0.53 N ATOM 0 H GLN A 62 6.607 -5.636 -1.458 1.00 43.50 H new ATOM 0 HA GLN A 62 7.691 -4.137 -3.631 1.00 2.43 H new ATOM 0 HB2 GLN A 62 6.037 -6.605 -3.229 1.00 12.30 H new ATOM 0 HB3 GLN A 62 5.974 -5.849 -4.810 1.00 12.30 H new ATOM 0 HG2 GLN A 62 8.213 -6.283 -5.271 1.00 65.40 H new ATOM 0 HG3 GLN A 62 8.669 -6.334 -3.580 1.00 65.40 H new ATOM 0 HE21 GLN A 62 8.384 -8.192 -6.256 1.00 0.53 H new ATOM 0 HE22 GLN A 62 8.044 -9.762 -5.521 1.00 0.53 H new ATOM 954 N TYR A 63 4.521 -3.755 -2.879 1.00 52.30 N ATOM 955 CA TYR A 63 3.342 -2.937 -3.134 1.00 72.30 C ATOM 956 C TYR A 63 3.637 -1.462 -2.880 1.00 70.30 C ATOM 957 O TYR A 63 3.076 -0.584 -3.536 1.00 53.20 O ATOM 958 CB TYR A 63 2.177 -3.394 -2.253 1.00 31.20 C ATOM 959 CG TYR A 63 1.352 -4.502 -2.867 1.00 1.11 C ATOM 960 CD1 TYR A 63 0.766 -4.347 -4.117 1.00 14.40 C ATOM 961 CD2 TYR A 63 1.159 -5.704 -2.197 1.00 15.10 C ATOM 962 CE1 TYR A 63 0.011 -5.357 -4.682 1.00 62.30 C ATOM 963 CE2 TYR A 63 0.405 -6.719 -2.755 1.00 2.32 C ATOM 964 CZ TYR A 63 -0.166 -6.541 -3.997 1.00 33.20 C ATOM 965 OH TYR A 63 -0.918 -7.549 -4.555 1.00 51.40 O ATOM 0 H TYR A 63 4.435 -4.380 -2.077 1.00 52.30 H new ATOM 0 HA TYR A 63 3.067 -3.059 -4.182 1.00 72.30 H new ATOM 0 HB2 TYR A 63 2.569 -3.733 -1.294 1.00 31.20 H new ATOM 0 HB3 TYR A 63 1.530 -2.541 -2.049 1.00 31.20 H new ATOM 0 HD1 TYR A 63 0.903 -3.421 -4.656 1.00 14.40 H new ATOM 0 HD2 TYR A 63 1.606 -5.847 -1.224 1.00 15.10 H new ATOM 0 HE1 TYR A 63 -0.438 -5.220 -5.655 1.00 62.30 H new ATOM 0 HE2 TYR A 63 0.264 -7.647 -2.221 1.00 2.32 H new ATOM 0 HH TYR A 63 -0.943 -8.315 -3.944 1.00 51.40 H new ATOM 975 N LEU A 64 4.523 -1.198 -1.925 1.00 62.30 N ATOM 976 CA LEU A 64 4.894 0.171 -1.585 1.00 50.20 C ATOM 977 C LEU A 64 5.772 0.782 -2.672 1.00 62.10 C ATOM 978 O LEU A 64 5.677 1.975 -2.963 1.00 4.04 O ATOM 979 CB LEU A 64 5.627 0.204 -0.242 1.00 43.40 C ATOM 980 CG LEU A 64 5.359 1.445 0.611 1.00 74.20 C ATOM 981 CD1 LEU A 64 5.426 1.099 2.091 1.00 43.50 C ATOM 982 CD2 LEU A 64 6.351 2.547 0.273 1.00 62.30 C ATOM 0 H LEU A 64 4.997 -1.913 -1.373 1.00 62.30 H new ATOM 0 HA LEU A 64 3.980 0.760 -1.507 1.00 50.20 H new ATOM 0 HB2 LEU A 64 5.345 -0.680 0.330 1.00 43.40 H new ATOM 0 HB3 LEU A 64 6.699 0.134 -0.428 1.00 43.40 H new ATOM 0 HG LEU A 64 4.355 1.807 0.389 1.00 74.20 H new ATOM 0 HD11 LEU A 64 5.233 1.994 2.683 1.00 43.50 H new ATOM 0 HD12 LEU A 64 4.676 0.342 2.322 1.00 43.50 H new ATOM 0 HD13 LEU A 64 6.417 0.713 2.330 1.00 43.50 H new ATOM 0 HD21 LEU A 64 6.146 3.423 0.889 1.00 62.30 H new ATOM 0 HD22 LEU A 64 7.365 2.196 0.467 1.00 62.30 H new ATOM 0 HD23 LEU A 64 6.254 2.813 -0.780 1.00 62.30 H new ATOM 994 N ASP A 65 6.627 -0.042 -3.268 1.00 2.24 N ATOM 995 CA ASP A 65 7.523 0.418 -4.323 1.00 44.10 C ATOM 996 C ASP A 65 6.732 0.962 -5.508 1.00 23.50 C ATOM 997 O ASP A 65 6.943 2.095 -5.940 1.00 14.40 O ATOM 998 CB ASP A 65 8.432 -0.724 -4.783 1.00 23.30 C ATOM 999 CG ASP A 65 9.593 -0.955 -3.836 1.00 54.10 C ATOM 1000 OD1 ASP A 65 9.430 -0.703 -2.624 1.00 22.10 O ATOM 1001 OD2 ASP A 65 10.666 -1.387 -4.307 1.00 0.34 O ATOM 0 H ASP A 65 6.719 -1.032 -3.039 1.00 2.24 H new ATOM 0 HA ASP A 65 8.138 1.222 -3.919 1.00 44.10 H new ATOM 0 HB2 ASP A 65 7.847 -1.640 -4.866 1.00 23.30 H new ATOM 0 HB3 ASP A 65 8.817 -0.500 -5.778 1.00 23.30 H new ATOM 1006 N ARG A 66 5.820 0.147 -6.029 1.00 72.50 N ATOM 1007 CA ARG A 66 4.997 0.548 -7.165 1.00 41.20 C ATOM 1008 C ARG A 66 4.168 1.782 -6.826 1.00 52.00 C ATOM 1009 O ARG A 66 4.062 2.710 -7.628 1.00 40.20 O ATOM 1010 CB ARG A 66 4.078 -0.601 -7.585 1.00 34.30 C ATOM 1011 CG ARG A 66 3.873 -0.698 -9.088 1.00 45.20 C ATOM 1012 CD ARG A 66 3.337 0.604 -9.662 1.00 53.30 C ATOM 1013 NE ARG A 66 2.679 0.403 -10.950 1.00 4.23 N ATOM 1014 CZ ARG A 66 3.327 0.114 -12.070 1.00 43.40 C ATOM 1015 NH1 ARG A 66 4.649 -0.010 -12.070 1.00 70.30 N ATOM 1016 NH2 ARG A 66 2.652 -0.053 -13.200 1.00 21.20 N ATOM 0 H ARG A 66 5.632 -0.794 -5.683 1.00 72.50 H new ATOM 0 HA ARG A 66 5.660 0.795 -7.995 1.00 41.20 H new ATOM 0 HB2 ARG A 66 4.496 -1.540 -7.222 1.00 34.30 H new ATOM 0 HB3 ARG A 66 3.109 -0.475 -7.102 1.00 34.30 H new ATOM 0 HG2 ARG A 66 4.818 -0.948 -9.570 1.00 45.20 H new ATOM 0 HG3 ARG A 66 3.178 -1.508 -9.310 1.00 45.20 H new ATOM 0 HD2 ARG A 66 2.631 1.047 -8.959 1.00 53.30 H new ATOM 0 HD3 ARG A 66 4.156 1.313 -9.780 1.00 53.30 H new ATOM 0 HE ARG A 66 1.664 0.490 -10.990 1.00 4.23 H new ATOM 0 HH11 ARG A 66 5.173 0.117 -11.204 1.00 70.30 H new ATOM 0 HH12 ARG A 66 5.140 -0.233 -12.936 1.00 70.30 H new ATOM 0 HH21 ARG A 66 1.636 0.041 -13.206 1.00 21.20 H new ATOM 0 HH22 ARG A 66 3.149 -0.275 -14.063 1.00 21.20 H new ATOM 1030 N ALA A 67 3.582 1.786 -5.633 1.00 55.20 N ATOM 1031 CA ALA A 67 2.762 2.906 -5.187 1.00 61.10 C ATOM 1032 C ALA A 67 3.560 4.205 -5.190 1.00 1.10 C ATOM 1033 O ALA A 67 3.085 5.236 -5.666 1.00 25.30 O ATOM 1034 CB ALA A 67 2.203 2.631 -3.799 1.00 25.40 C ATOM 0 H ALA A 67 3.660 1.026 -4.958 1.00 55.20 H new ATOM 0 HA ALA A 67 1.932 3.018 -5.885 1.00 61.10 H new ATOM 0 HB1 ALA A 67 1.593 3.475 -3.479 1.00 25.40 H new ATOM 0 HB2 ALA A 67 1.590 1.730 -3.825 1.00 25.40 H new ATOM 0 HB3 ALA A 67 3.025 2.490 -3.097 1.00 25.40 H new ATOM 1040 N GLU A 68 4.777 4.146 -4.659 1.00 0.03 N ATOM 1041 CA GLU A 68 5.646 5.316 -4.601 1.00 62.10 C ATOM 1042 C GLU A 68 5.869 5.894 -5.997 1.00 33.30 C ATOM 1043 O GLU A 68 5.974 7.108 -6.169 1.00 42.00 O ATOM 1044 CB GLU A 68 6.989 4.945 -3.964 1.00 32.20 C ATOM 1045 CG GLU A 68 8.049 6.030 -4.082 1.00 54.20 C ATOM 1046 CD GLU A 68 9.159 5.874 -3.061 1.00 54.00 C ATOM 1047 OE1 GLU A 68 9.471 4.721 -2.694 1.00 73.10 O ATOM 1048 OE2 GLU A 68 9.716 6.904 -2.628 1.00 45.30 O ATOM 0 H GLU A 68 5.184 3.299 -4.262 1.00 0.03 H new ATOM 0 HA GLU A 68 5.160 6.075 -3.988 1.00 62.10 H new ATOM 0 HB2 GLU A 68 6.830 4.720 -2.909 1.00 32.20 H new ATOM 0 HB3 GLU A 68 7.362 4.034 -4.432 1.00 32.20 H new ATOM 0 HG2 GLU A 68 8.477 6.008 -5.084 1.00 54.20 H new ATOM 0 HG3 GLU A 68 7.580 7.006 -3.957 1.00 54.20 H new ATOM 1055 N LYS A 69 5.941 5.013 -6.988 1.00 12.40 N ATOM 1056 CA LYS A 69 6.153 5.430 -8.368 1.00 20.30 C ATOM 1057 C LYS A 69 4.859 5.950 -8.988 1.00 1.22 C ATOM 1058 O LYS A 69 4.885 6.800 -9.878 1.00 32.00 O ATOM 1059 CB LYS A 69 6.697 4.263 -9.193 1.00 44.10 C ATOM 1060 CG LYS A 69 6.963 4.616 -10.640 1.00 61.10 C ATOM 1061 CD LYS A 69 7.999 3.691 -11.260 1.00 60.20 C ATOM 1062 CE LYS A 69 8.869 4.424 -12.270 1.00 14.20 C ATOM 1063 NZ LYS A 69 10.283 3.959 -12.230 1.00 65.30 N ATOM 0 H LYS A 69 5.856 4.005 -6.861 1.00 12.40 H new ATOM 0 HA LYS A 69 6.882 6.240 -8.370 1.00 20.30 H new ATOM 0 HB2 LYS A 69 7.622 3.908 -8.739 1.00 44.10 H new ATOM 0 HB3 LYS A 69 5.985 3.438 -9.154 1.00 44.10 H new ATOM 0 HG2 LYS A 69 6.034 4.555 -11.207 1.00 61.10 H new ATOM 0 HG3 LYS A 69 7.309 5.647 -10.706 1.00 61.10 H new ATOM 0 HD2 LYS A 69 8.627 3.269 -10.476 1.00 60.20 H new ATOM 0 HD3 LYS A 69 7.497 2.856 -11.749 1.00 60.20 H new ATOM 0 HE2 LYS A 69 8.466 4.274 -13.272 1.00 14.20 H new ATOM 0 HE3 LYS A 69 8.834 5.495 -12.069 1.00 14.20 H new ATOM 0 HZ1 LYS A 69 10.841 4.484 -12.933 1.00 65.30 H new ATOM 0 HZ2 LYS A 69 10.676 4.125 -11.282 1.00 65.30 H new ATOM 0 HZ3 LYS A 69 10.320 2.943 -12.447 1.00 65.30 H new ATOM 1077 N LEU A 70 3.729 5.436 -8.513 1.00 51.30 N ATOM 1078 CA LEU A 70 2.428 5.852 -9.023 1.00 74.20 C ATOM 1079 C LEU A 70 2.154 7.313 -8.682 1.00 40.30 C ATOM 1080 O LEU A 70 1.767 8.101 -9.546 1.00 34.10 O ATOM 1081 CB LEU A 70 1.322 4.965 -8.447 1.00 2.41 C ATOM 1082 CG LEU A 70 1.256 3.551 -9.028 1.00 51.40 C ATOM 1083 CD1 LEU A 70 0.064 2.797 -8.460 1.00 15.30 C ATOM 1084 CD2 LEU A 70 1.184 3.602 -10.540 1.00 63.50 C ATOM 0 H LEU A 70 3.688 4.732 -7.777 1.00 51.30 H new ATOM 0 HA LEU A 70 2.440 5.746 -10.108 1.00 74.20 H new ATOM 0 HB2 LEU A 70 1.461 4.892 -7.368 1.00 2.41 H new ATOM 0 HB3 LEU A 70 0.362 5.454 -8.612 1.00 2.41 H new ATOM 0 HG LEU A 70 2.164 3.019 -8.746 1.00 51.40 H new ATOM 0 HD11 LEU A 70 0.033 1.793 -8.884 1.00 15.30 H new ATOM 0 HD12 LEU A 70 0.159 2.730 -7.376 1.00 15.30 H new ATOM 0 HD13 LEU A 70 -0.855 3.326 -8.712 1.00 15.30 H new ATOM 0 HD21 LEU A 70 1.138 2.588 -10.936 1.00 63.50 H new ATOM 0 HD22 LEU A 70 0.293 4.151 -10.843 1.00 63.50 H new ATOM 0 HD23 LEU A 70 2.070 4.104 -10.930 1.00 63.50 H new ATOM 1096 N LYS A 71 2.357 7.669 -7.418 1.00 24.40 N ATOM 1097 CA LYS A 71 2.133 9.036 -6.963 1.00 61.40 C ATOM 1098 C LYS A 71 3.115 9.997 -7.624 1.00 15.10 C ATOM 1099 O LYS A 71 2.738 11.086 -8.057 1.00 62.30 O ATOM 1100 CB LYS A 71 2.268 9.118 -5.441 1.00 25.10 C ATOM 1101 CG LYS A 71 1.968 10.497 -4.877 1.00 20.40 C ATOM 1102 CD LYS A 71 0.474 10.776 -4.853 1.00 43.30 C ATOM 1103 CE LYS A 71 -0.119 10.517 -3.478 1.00 73.00 C ATOM 1104 NZ LYS A 71 -1.325 11.353 -3.226 1.00 20.20 N ATOM 0 H LYS A 71 2.676 7.030 -6.690 1.00 24.40 H new ATOM 0 HA LYS A 71 1.121 9.326 -7.247 1.00 61.40 H new ATOM 0 HB2 LYS A 71 1.593 8.394 -4.985 1.00 25.10 H new ATOM 0 HB3 LYS A 71 3.281 8.832 -5.159 1.00 25.10 H new ATOM 0 HG2 LYS A 71 2.370 10.573 -3.867 1.00 20.40 H new ATOM 0 HG3 LYS A 71 2.471 11.254 -5.478 1.00 20.40 H new ATOM 0 HD2 LYS A 71 0.292 11.812 -5.140 1.00 43.30 H new ATOM 0 HD3 LYS A 71 -0.026 10.148 -5.590 1.00 43.30 H new ATOM 0 HE2 LYS A 71 -0.383 9.463 -3.389 1.00 73.00 H new ATOM 0 HE3 LYS A 71 0.631 10.723 -2.715 1.00 73.00 H new ATOM 0 HZ1 LYS A 71 -1.699 11.146 -2.278 1.00 20.20 H new ATOM 0 HZ2 LYS A 71 -1.068 12.359 -3.285 1.00 20.20 H new ATOM 0 HZ3 LYS A 71 -2.051 11.138 -3.939 1.00 20.20 H new ATOM 1118 N ASP A 72 4.377 9.586 -7.700 1.00 72.30 N ATOM 1119 CA ASP A 72 5.414 10.410 -8.309 1.00 75.10 C ATOM 1120 C ASP A 72 5.103 10.678 -9.778 1.00 72.10 C ATOM 1121 O ASP A 72 5.456 11.727 -10.310 1.00 72.00 O ATOM 1122 CB ASP A 72 6.777 9.727 -8.181 1.00 32.30 C ATOM 1123 CG ASP A 72 7.475 10.069 -6.879 1.00 22.40 C ATOM 1124 OD1 ASP A 72 7.112 9.479 -5.839 1.00 52.20 O ATOM 1125 OD2 ASP A 72 8.384 10.925 -6.899 1.00 73.20 O ATOM 0 H ASP A 72 4.706 8.687 -7.347 1.00 72.30 H new ATOM 0 HA ASP A 72 5.442 11.364 -7.782 1.00 75.10 H new ATOM 0 HB2 ASP A 72 6.647 8.647 -8.247 1.00 32.30 H new ATOM 0 HB3 ASP A 72 7.409 10.024 -9.018 1.00 32.30 H new ATOM 1130 N TYR A 73 4.439 9.723 -10.420 1.00 41.10 N ATOM 1131 CA TYR A 73 4.079 9.857 -11.820 1.00 64.10 C ATOM 1132 C TYR A 73 3.092 11.002 -12.030 1.00 41.50 C ATOM 1133 O TYR A 73 3.319 11.893 -12.840 1.00 14.50 O ATOM 1134 CB TYR A 73 3.477 8.550 -12.340 1.00 13.50 C ATOM 1135 CG TYR A 73 3.107 8.595 -13.810 1.00 35.20 C ATOM 1136 CD1 TYR A 73 1.849 9.023 -14.210 1.00 74.10 C ATOM 1137 CD2 TYR A 73 4.015 8.208 -14.790 1.00 22.30 C ATOM 1138 CE1 TYR A 73 1.506 9.065 -15.550 1.00 51.00 C ATOM 1139 CE2 TYR A 73 3.680 8.248 -16.130 1.00 63.40 C ATOM 1140 CZ TYR A 73 2.425 8.677 -16.500 1.00 42.30 C ATOM 1141 OH TYR A 73 2.088 8.717 -17.840 1.00 62.50 O ATOM 0 H TYR A 73 4.140 8.848 -9.989 1.00 41.10 H new ATOM 0 HA TYR A 73 4.988 10.082 -12.378 1.00 64.10 H new ATOM 0 HB2 TYR A 73 4.190 7.742 -12.178 1.00 13.50 H new ATOM 0 HB3 TYR A 73 2.587 8.312 -11.757 1.00 13.50 H new ATOM 0 HD1 TYR A 73 1.128 9.327 -13.466 1.00 74.10 H new ATOM 0 HD2 TYR A 73 4.999 7.870 -14.499 1.00 22.30 H new ATOM 0 HE1 TYR A 73 0.524 9.400 -15.849 1.00 51.00 H new ATOM 0 HE2 TYR A 73 4.396 7.946 -16.880 1.00 63.40 H new ATOM 0 HH TYR A 73 2.848 8.412 -18.378 1.00 62.50 H new ATOM 1151 N LEU A 74 1.996 10.970 -11.280 1.00 21.10 N ATOM 1152 CA LEU A 74 0.973 12.005 -11.370 1.00 23.10 C ATOM 1153 C LEU A 74 1.507 13.345 -10.870 1.00 75.20 C ATOM 1154 O LEU A 74 1.103 14.403 -11.360 1.00 63.00 O ATOM 1155 CB LEU A 74 -0.265 11.605 -10.570 1.00 24.30 C ATOM 1156 CG LEU A 74 -1.279 10.747 -11.330 1.00 24.10 C ATOM 1157 CD1 LEU A 74 -2.036 9.843 -10.370 1.00 23.20 C ATOM 1158 CD2 LEU A 74 -2.244 11.628 -12.110 1.00 52.10 C ATOM 0 H LEU A 74 1.793 10.236 -10.601 1.00 21.10 H new ATOM 0 HA LEU A 74 0.696 12.113 -12.419 1.00 23.10 H new ATOM 0 HB2 LEU A 74 0.056 11.060 -9.682 1.00 24.30 H new ATOM 0 HB3 LEU A 74 -0.764 12.511 -10.225 1.00 24.30 H new ATOM 0 HG LEU A 74 -0.739 10.119 -12.039 1.00 24.10 H new ATOM 0 HD11 LEU A 74 -2.753 9.240 -10.927 1.00 23.20 H new ATOM 0 HD12 LEU A 74 -1.333 9.188 -9.856 1.00 23.20 H new ATOM 0 HD13 LEU A 74 -2.566 10.452 -9.638 1.00 23.20 H new ATOM 0 HD21 LEU A 74 -2.958 11.001 -12.644 1.00 52.10 H new ATOM 0 HD22 LEU A 74 -2.779 12.281 -11.420 1.00 52.10 H new ATOM 0 HD23 LEU A 74 -1.687 12.234 -12.825 1.00 52.10 H new ATOM 1170 N ARG A 75 2.416 13.291 -9.911 1.00 41.00 N ATOM 1171 CA ARG A 75 3.005 14.500 -9.347 1.00 44.20 C ATOM 1172 C ARG A 75 4.052 15.085 -10.280 1.00 31.00 C ATOM 1173 O ARG A 75 4.151 16.303 -10.440 1.00 5.20 O ATOM 1174 CB ARG A 75 3.637 14.199 -7.987 1.00 3.24 C ATOM 1175 CG ARG A 75 2.680 14.374 -6.819 1.00 33.30 C ATOM 1176 CD ARG A 75 3.428 14.627 -5.520 1.00 1.25 C ATOM 1177 NE ARG A 75 2.735 15.591 -4.669 1.00 45.40 N ATOM 1178 CZ ARG A 75 1.613 15.323 -4.005 1.00 40.40 C ATOM 1179 NH1 ARG A 75 1.054 14.123 -4.091 1.00 3.01 N ATOM 1180 NH2 ARG A 75 1.049 16.258 -3.253 1.00 32.40 N ATOM 0 H ARG A 75 2.764 12.423 -9.504 1.00 41.00 H new ATOM 0 HA ARG A 75 2.207 15.232 -9.220 1.00 44.20 H new ATOM 0 HB2 ARG A 75 4.012 13.175 -7.988 1.00 3.24 H new ATOM 0 HB3 ARG A 75 4.497 14.853 -7.843 1.00 3.24 H new ATOM 0 HG2 ARG A 75 2.006 15.207 -7.021 1.00 33.30 H new ATOM 0 HG3 ARG A 75 2.062 13.482 -6.717 1.00 33.30 H new ATOM 0 HD2 ARG A 75 3.547 13.687 -4.981 1.00 1.25 H new ATOM 0 HD3 ARG A 75 4.429 14.995 -5.744 1.00 1.25 H new ATOM 0 HE ARG A 75 3.135 16.525 -4.578 1.00 45.40 H new ATOM 0 HH11 ARG A 75 1.484 13.400 -4.668 1.00 3.01 H new ATOM 0 HH12 ARG A 75 0.194 13.923 -3.580 1.00 3.01 H new ATOM 0 HH21 ARG A 75 1.475 17.182 -3.184 1.00 32.40 H new ATOM 0 HH22 ARG A 75 0.189 16.053 -2.744 1.00 32.40 H new ATOM 1195 N GLU B 115 10.677 -3.745 8.518 1.00 35.20 N ATOM 1196 CA GLU B 115 9.247 -3.492 8.647 1.00 11.20 C ATOM 1197 C GLU B 115 8.987 -2.058 9.098 1.00 51.10 C ATOM 1198 O GLU B 115 7.973 -1.459 8.740 1.00 70.10 O ATOM 1199 CB GLU B 115 8.622 -4.473 9.641 1.00 63.30 C ATOM 1200 CG GLU B 115 7.208 -4.893 9.273 1.00 54.10 C ATOM 1201 CD GLU B 115 6.154 -4.168 10.086 1.00 34.40 C ATOM 1202 OE1 GLU B 115 6.038 -4.454 11.296 1.00 73.20 O ATOM 1203 OE2 GLU B 115 5.446 -3.314 9.513 1.00 31.20 O ATOM 0 HA GLU B 115 8.788 -3.635 7.669 1.00 11.20 H new ATOM 0 HB2 GLU B 115 9.251 -5.361 9.706 1.00 63.30 H new ATOM 0 HB3 GLU B 115 8.611 -4.017 10.631 1.00 63.30 H new ATOM 0 HG2 GLU B 115 7.040 -4.701 8.213 1.00 54.10 H new ATOM 0 HG3 GLU B 115 7.102 -5.967 9.423 1.00 54.10 H new ATOM 1210 N ASP B 116 9.908 -1.515 9.887 1.00 41.10 N ATOM 1211 CA ASP B 116 9.778 -0.151 10.387 1.00 60.30 C ATOM 1212 C ASP B 116 10.073 0.863 9.286 1.00 25.30 C ATOM 1213 O ASP B 116 9.388 1.878 9.164 1.00 3.42 O ATOM 1214 CB ASP B 116 10.723 0.073 11.569 1.00 22.30 C ATOM 1215 CG ASP B 116 10.151 -0.446 12.873 1.00 3.40 C ATOM 1216 OD1 ASP B 116 9.057 0.011 13.265 1.00 62.50 O ATOM 1217 OD2 ASP B 116 10.797 -1.311 13.502 1.00 24.10 O ATOM 0 H ASP B 116 10.752 -1.998 10.194 1.00 41.10 H new ATOM 0 HA ASP B 116 8.750 -0.009 10.720 1.00 60.30 H new ATOM 0 HB2 ASP B 116 11.673 -0.422 11.370 1.00 22.30 H new ATOM 0 HB3 ASP B 116 10.933 1.138 11.666 1.00 22.30 H new ATOM 1222 N GLN B 117 11.096 0.580 8.486 1.00 4.03 N ATOM 1223 CA GLN B 117 11.481 1.467 7.395 1.00 50.40 C ATOM 1224 C GLN B 117 10.379 1.547 6.344 1.00 63.40 C ATOM 1225 O GLN B 117 9.883 2.630 6.031 1.00 51.30 O ATOM 1226 CB GLN B 117 12.782 0.983 6.751 1.00 41.30 C ATOM 1227 CG GLN B 117 13.700 2.111 6.312 1.00 33.30 C ATOM 1228 CD GLN B 117 13.334 2.662 4.947 1.00 44.30 C ATOM 1229 OE1 GLN B 117 12.800 3.765 4.833 1.00 41.20 O ATOM 1230 NE2 GLN B 117 13.622 1.894 3.903 1.00 32.40 N ATOM 0 H GLN B 117 11.673 -0.257 8.573 1.00 4.03 H new ATOM 0 HA GLN B 117 11.637 2.464 7.808 1.00 50.40 H new ATOM 0 HB2 GLN B 117 13.314 0.348 7.459 1.00 41.30 H new ATOM 0 HB3 GLN B 117 12.541 0.364 5.886 1.00 41.30 H new ATOM 0 HG2 GLN B 117 13.659 2.915 7.047 1.00 33.30 H new ATOM 0 HG3 GLN B 117 14.728 1.750 6.291 1.00 33.30 H new ATOM 0 HE21 GLN B 117 14.065 0.986 4.044 1.00 32.40 H new ATOM 0 HE22 GLN B 117 13.400 2.212 2.959 1.00 32.40 H new ATOM 1239 N LEU B 118 9.999 0.394 5.803 1.00 44.50 N ATOM 1240 CA LEU B 118 8.955 0.334 4.787 1.00 70.10 C ATOM 1241 C LEU B 118 7.638 0.882 5.327 1.00 43.20 C ATOM 1242 O LEU B 118 6.884 1.537 4.607 1.00 0.42 O ATOM 1243 CB LEU B 118 8.764 -1.106 4.306 1.00 33.20 C ATOM 1244 CG LEU B 118 8.184 -2.064 5.348 1.00 44.20 C ATOM 1245 CD1 LEU B 118 6.668 -2.119 5.238 1.00 31.30 C ATOM 1246 CD2 LEU B 118 8.783 -3.454 5.185 1.00 54.30 C ATOM 0 H LEU B 118 10.398 -0.511 6.051 1.00 44.50 H new ATOM 0 HA LEU B 118 9.266 0.952 3.945 1.00 70.10 H new ATOM 0 HB2 LEU B 118 8.107 -1.098 3.436 1.00 33.20 H new ATOM 0 HB3 LEU B 118 9.728 -1.493 3.975 1.00 33.20 H new ATOM 0 HG LEU B 118 8.442 -1.692 6.339 1.00 44.20 H new ATOM 0 HD11 LEU B 118 6.274 -2.806 5.987 1.00 31.30 H new ATOM 0 HD12 LEU B 118 6.255 -1.124 5.404 1.00 31.30 H new ATOM 0 HD13 LEU B 118 6.388 -2.467 4.244 1.00 31.30 H new ATOM 0 HD21 LEU B 118 8.359 -4.123 5.934 1.00 54.30 H new ATOM 0 HD22 LEU B 118 8.555 -3.834 4.189 1.00 54.30 H new ATOM 0 HD23 LEU B 118 9.864 -3.402 5.315 1.00 54.30 H new ATOM 1258 N SER B 119 7.368 0.610 6.599 1.00 35.50 N ATOM 1259 CA SER B 119 6.142 1.076 7.237 1.00 21.50 C ATOM 1260 C SER B 119 6.096 2.600 7.280 1.00 61.10 C ATOM 1261 O SER B 119 5.047 3.206 7.065 1.00 41.40 O ATOM 1262 CB SER B 119 6.032 0.510 8.654 1.00 73.20 C ATOM 1263 OG SER B 119 5.565 -0.827 8.635 1.00 14.40 O ATOM 0 H SER B 119 7.981 0.069 7.209 1.00 35.50 H new ATOM 0 HA SER B 119 5.298 0.722 6.646 1.00 21.50 H new ATOM 0 HB2 SER B 119 7.006 0.551 9.142 1.00 73.20 H new ATOM 0 HB3 SER B 119 5.354 1.127 9.244 1.00 73.20 H new ATOM 0 HG SER B 119 6.263 -1.422 8.980 1.00 14.40 H new ATOM 1269 N ARG B 120 7.242 3.213 7.560 1.00 60.30 N ATOM 1270 CA ARG B 120 7.333 4.666 7.631 1.00 2.21 C ATOM 1271 C ARG B 120 6.956 5.301 6.296 1.00 42.30 C ATOM 1272 O ARG B 120 6.256 6.313 6.254 1.00 13.10 O ATOM 1273 CB ARG B 120 8.748 5.091 8.029 1.00 0.13 C ATOM 1274 CG ARG B 120 8.901 6.590 8.224 1.00 61.30 C ATOM 1275 CD ARG B 120 10.108 6.919 9.088 1.00 41.10 C ATOM 1276 NE ARG B 120 10.340 8.359 9.179 1.00 51.30 N ATOM 1277 CZ ARG B 120 10.884 9.085 8.205 1.00 42.10 C ATOM 1278 NH1 ARG B 120 11.253 8.511 7.066 1.00 43.10 N ATOM 1279 NH2 ARG B 120 11.059 10.389 8.370 1.00 32.30 N ATOM 0 H ARG B 120 8.120 2.726 7.741 1.00 60.30 H new ATOM 0 HA ARG B 120 6.630 5.012 8.389 1.00 2.21 H new ATOM 0 HB2 ARG B 120 9.025 4.583 8.953 1.00 0.13 H new ATOM 0 HB3 ARG B 120 9.447 4.760 7.261 1.00 0.13 H new ATOM 0 HG2 ARG B 120 9.004 7.076 7.254 1.00 61.30 H new ATOM 0 HG3 ARG B 120 8.000 6.992 8.688 1.00 61.30 H new ATOM 0 HD2 ARG B 120 9.960 6.512 10.088 1.00 41.10 H new ATOM 0 HD3 ARG B 120 10.993 6.435 8.675 1.00 41.10 H new ATOM 0 HE ARG B 120 10.069 8.836 10.039 1.00 51.30 H new ATOM 0 HH11 ARG B 120 11.120 7.508 6.934 1.00 43.10 H new ATOM 0 HH12 ARG B 120 11.669 9.073 6.323 1.00 43.10 H new ATOM 0 HH21 ARG B 120 10.777 10.835 9.243 1.00 32.30 H new ATOM 0 HH22 ARG B 120 11.476 10.946 7.624 1.00 32.30 H new ATOM 1293 N ARG B 121 7.425 4.699 5.207 1.00 51.40 N ATOM 1294 CA ARG B 121 7.137 5.205 3.871 1.00 54.20 C ATOM 1295 C ARG B 121 5.635 5.213 3.604 1.00 14.20 C ATOM 1296 O ARG B 121 5.105 6.151 3.007 1.00 50.30 O ATOM 1297 CB ARG B 121 7.849 4.356 2.816 1.00 54.30 C ATOM 1298 CG ARG B 121 9.294 4.764 2.581 1.00 21.30 C ATOM 1299 CD ARG B 121 10.257 3.870 3.347 1.00 64.30 C ATOM 1300 NE ARG B 121 11.487 3.622 2.597 1.00 40.00 N ATOM 1301 CZ ARG B 121 11.533 2.949 1.450 1.00 52.10 C ATOM 1302 NH1 ARG B 121 10.422 2.455 0.917 1.00 53.30 N ATOM 1303 NH2 ARG B 121 12.693 2.769 0.833 1.00 14.00 N ATOM 0 H ARG B 121 8.006 3.861 5.225 1.00 51.40 H new ATOM 0 HA ARG B 121 7.504 6.230 3.811 1.00 54.20 H new ATOM 0 HB2 ARG B 121 7.821 3.311 3.123 1.00 54.30 H new ATOM 0 HB3 ARG B 121 7.303 4.427 1.875 1.00 54.30 H new ATOM 0 HG2 ARG B 121 9.519 4.714 1.516 1.00 21.30 H new ATOM 0 HG3 ARG B 121 9.435 5.800 2.888 1.00 21.30 H new ATOM 0 HD2 ARG B 121 10.502 4.335 4.302 1.00 64.30 H new ATOM 0 HD3 ARG B 121 9.771 2.920 3.570 1.00 64.30 H new ATOM 0 HE ARG B 121 12.361 3.986 2.975 1.00 40.00 H new ATOM 0 HH11 ARG B 121 9.527 2.590 1.387 1.00 53.30 H new ATOM 0 HH12 ARG B 121 10.464 1.940 0.038 1.00 53.30 H new ATOM 0 HH21 ARG B 121 13.550 3.146 1.238 1.00 14.00 H new ATOM 0 HH22 ARG B 121 12.728 2.253 -0.046 1.00 14.00 H new ATOM 1317 N LEU B 122 4.955 4.163 4.050 1.00 73.00 N ATOM 1318 CA LEU B 122 3.513 4.049 3.860 1.00 41.10 C ATOM 1319 C LEU B 122 2.782 5.207 4.532 1.00 74.10 C ATOM 1320 O LEU B 122 1.871 5.798 3.953 1.00 23.10 O ATOM 1321 CB LEU B 122 3.008 2.718 4.421 1.00 52.40 C ATOM 1322 CG LEU B 122 1.791 2.133 3.701 1.00 75.10 C ATOM 1323 CD1 LEU B 122 1.737 0.624 3.886 1.00 24.10 C ATOM 1324 CD2 LEU B 122 0.511 2.780 4.208 1.00 55.00 C ATOM 0 H LEU B 122 5.378 3.378 4.546 1.00 73.00 H new ATOM 0 HA LEU B 122 3.309 4.086 2.790 1.00 41.10 H new ATOM 0 HB2 LEU B 122 3.820 1.992 4.379 1.00 52.40 H new ATOM 0 HB3 LEU B 122 2.758 2.856 5.473 1.00 52.40 H new ATOM 0 HG LEU B 122 1.885 2.345 2.636 1.00 75.10 H new ATOM 0 HD11 LEU B 122 0.865 0.225 3.367 1.00 24.10 H new ATOM 0 HD12 LEU B 122 2.641 0.174 3.475 1.00 24.10 H new ATOM 0 HD13 LEU B 122 1.666 0.390 4.948 1.00 24.10 H new ATOM 0 HD21 LEU B 122 -0.345 2.352 3.685 1.00 55.00 H new ATOM 0 HD22 LEU B 122 0.411 2.598 5.278 1.00 55.00 H new ATOM 0 HD23 LEU B 122 0.549 3.854 4.024 1.00 55.00 H new ATOM 1336 N ALA B 123 3.188 5.526 5.757 1.00 10.10 N ATOM 1337 CA ALA B 123 2.573 6.613 6.507 1.00 32.20 C ATOM 1338 C ALA B 123 2.716 7.939 5.769 1.00 30.00 C ATOM 1339 O ALA B 123 1.778 8.735 5.712 1.00 21.40 O ATOM 1340 CB ALA B 123 3.187 6.710 7.895 1.00 54.50 C ATOM 0 H ALA B 123 3.941 5.046 6.251 1.00 10.10 H new ATOM 0 HA ALA B 123 1.509 6.396 6.607 1.00 32.20 H new ATOM 0 HB1 ALA B 123 2.718 7.526 8.444 1.00 54.50 H new ATOM 0 HB2 ALA B 123 3.027 5.774 8.430 1.00 54.50 H new ATOM 0 HB3 ALA B 123 4.257 6.899 7.807 1.00 54.50 H new ATOM 1346 N ALA B 124 3.896 8.172 5.204 1.00 43.20 N ATOM 1347 CA ALA B 124 4.162 9.402 4.469 1.00 61.40 C ATOM 1348 C ALA B 124 3.354 9.456 3.177 1.00 23.40 C ATOM 1349 O ALA B 124 2.973 10.532 2.716 1.00 13.40 O ATOM 1350 CB ALA B 124 5.649 9.526 4.169 1.00 42.20 C ATOM 0 H ALA B 124 4.683 7.525 5.241 1.00 43.20 H new ATOM 0 HA ALA B 124 3.856 10.242 5.093 1.00 61.40 H new ATOM 0 HB1 ALA B 124 5.834 10.449 3.620 1.00 42.20 H new ATOM 0 HB2 ALA B 124 6.209 9.542 5.104 1.00 42.20 H new ATOM 0 HB3 ALA B 124 5.971 8.676 3.568 1.00 42.20 H new ATOM 1356 N LEU B 125 3.095 8.288 2.598 1.00 44.30 N ATOM 1357 CA LEU B 125 2.331 8.202 1.359 1.00 52.40 C ATOM 1358 C LEU B 125 0.932 8.783 1.541 1.00 74.50 C ATOM 1359 O LEU B 125 0.539 9.714 0.838 1.00 22.30 O ATOM 1360 CB LEU B 125 2.235 6.748 0.894 1.00 52.40 C ATOM 1361 CG LEU B 125 2.241 6.551 -0.623 1.00 3.55 C ATOM 1362 CD1 LEU B 125 3.482 7.178 -1.237 1.00 12.40 C ATOM 1363 CD2 LEU B 125 2.161 5.072 -0.968 1.00 10.50 C ATOM 0 H LEU B 125 3.403 7.388 2.967 1.00 44.30 H new ATOM 0 HA LEU B 125 2.852 8.785 0.600 1.00 52.40 H new ATOM 0 HB2 LEU B 125 3.069 6.190 1.321 1.00 52.40 H new ATOM 0 HB3 LEU B 125 1.321 6.313 1.298 1.00 52.40 H new ATOM 0 HG LEU B 125 1.365 7.048 -1.039 1.00 3.55 H new ATOM 0 HD11 LEU B 125 3.469 7.028 -2.317 1.00 12.40 H new ATOM 0 HD12 LEU B 125 3.496 8.246 -1.019 1.00 12.40 H new ATOM 0 HD13 LEU B 125 4.372 6.710 -0.816 1.00 12.40 H new ATOM 0 HD21 LEU B 125 2.166 4.950 -2.051 1.00 10.50 H new ATOM 0 HD22 LEU B 125 3.018 4.552 -0.540 1.00 10.50 H new ATOM 0 HD23 LEU B 125 1.241 4.653 -0.560 1.00 10.50 H new