USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 963 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 114 HIS : no HD1:sc= -0.199 X(o=-0.25,f=0.14) USER MOD Set 1.2: A 117 HIS : no HE2:sc= -0.0534 K(o=-0.25,f=-0.92) USER MOD Set 2.1: A 82 ASN : amide:sc= 0.801 K(o=0.73,f=-2.9) USER MOD Set 2.2: A 92 GLN :FLIP amide:sc= -0.066 F(o=-0.88,f=0.73) USER MOD Set 3.1: A 23 TYR OH : rot 180:sc= 0.911 USER MOD Set 3.2: A 47 LYS NZ :NH3+ 134:sc= 0.772 (180deg=-0.129) USER MOD Set 4.1: A 14 CYS SG : rot 180:sc= -0.137 USER MOD Set 4.2: A 16 ASN : amide:sc= -0.384 K(o=-1,f=-7.3!) USER MOD Set 4.3: A 21 THR OG1 : rot 180:sc= -0.524 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -132:sc= 0.135 (180deg=-0.129) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -175:sc= -0.277 (180deg=-0.389) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 38:sc= 0.00578 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -114:sc= 0.335 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.325 X(o=-0.32,f=-0.31) USER MOD Single : A 53 CYS SG : rot -160:sc= -4.06! USER MOD Single : A 54 LYS NZ :NH3+ -144:sc= 0.637 (180deg=0.152) USER MOD Single : A 57 LYS NZ :NH3+ -173:sc= 0.652 (180deg=0.567) USER MOD Single : A 62 LYS NZ :NH3+ -101:sc= 1.65 (180deg=-2.82!) USER MOD Single : A 63 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 72 LYS NZ :NH3+ -133:sc= 0.22 (180deg=-0.349) USER MOD Single : A 74 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0297) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -132:sc= 0.0723 (180deg=-0.307) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -152:sc= 1.01 (180deg=0.517) USER MOD Single : A 93 SER OG : rot 180:sc= 0.00248 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 62:sc= 0.407 USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HD1:sc=-0.00222 X(o=-0.0022,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.450 -15.733 -12.869 1.00 34.34 N ATOM 2 CA MET A 1 10.151 -17.161 -12.611 1.00 13.25 C ATOM 3 C MET A 1 8.665 -17.328 -12.220 1.00 25.42 C ATOM 4 O MET A 1 7.867 -16.399 -12.410 1.00 74.34 O ATOM 5 CB MET A 1 11.107 -17.706 -11.516 1.00 54.14 C ATOM 6 CG MET A 1 12.599 -17.549 -11.849 1.00 40.52 C ATOM 7 SD MET A 1 13.039 -18.291 -13.437 1.00 4.11 S ATOM 8 CE MET A 1 14.802 -17.961 -13.513 1.00 31.33 C ATOM 0 H1 MET A 1 10.969 -15.643 -13.766 1.00 34.34 H new ATOM 0 H2 MET A 1 9.561 -15.197 -12.928 1.00 34.34 H new ATOM 0 H3 MET A 1 11.031 -15.354 -12.094 1.00 34.34 H new ATOM 0 HA MET A 1 10.317 -17.744 -13.517 1.00 13.25 H new ATOM 0 HB2 MET A 1 10.899 -17.191 -10.578 1.00 54.14 H new ATOM 0 HB3 MET A 1 10.891 -18.762 -11.354 1.00 54.14 H new ATOM 0 HG2 MET A 1 12.854 -16.489 -11.864 1.00 40.52 H new ATOM 0 HG3 MET A 1 13.194 -18.009 -11.060 1.00 40.52 H new ATOM 0 HE1 MET A 1 15.208 -18.363 -14.441 1.00 31.33 H new ATOM 0 HE2 MET A 1 14.973 -16.885 -13.479 1.00 31.33 H new ATOM 0 HE3 MET A 1 15.298 -18.434 -12.665 1.00 31.33 H new ATOM 20 N ALA A 2 8.300 -18.519 -11.696 1.00 45.41 N ATOM 21 CA ALA A 2 6.905 -18.867 -11.341 1.00 52.45 C ATOM 22 C ALA A 2 6.319 -17.916 -10.278 1.00 63.20 C ATOM 23 O ALA A 2 7.009 -17.555 -9.317 1.00 31.14 O ATOM 24 CB ALA A 2 6.839 -20.323 -10.843 1.00 41.51 C ATOM 0 H ALA A 2 8.966 -19.268 -11.507 1.00 45.41 H new ATOM 0 HA ALA A 2 6.300 -18.758 -12.241 1.00 52.45 H new ATOM 0 HB1 ALA A 2 5.810 -20.573 -10.584 1.00 41.51 H new ATOM 0 HB2 ALA A 2 7.188 -20.993 -11.629 1.00 41.51 H new ATOM 0 HB3 ALA A 2 7.473 -20.436 -9.963 1.00 41.51 H new ATOM 30 N GLY A 3 5.035 -17.542 -10.455 1.00 15.45 N ATOM 31 CA GLY A 3 4.319 -16.658 -9.526 1.00 14.51 C ATOM 32 C GLY A 3 3.683 -17.410 -8.364 1.00 4.42 C ATOM 33 O GLY A 3 2.509 -17.190 -8.040 1.00 44.35 O ATOM 0 H GLY A 3 4.470 -17.847 -11.247 1.00 15.45 H new ATOM 0 HA2 GLY A 3 5.012 -15.913 -9.134 1.00 14.51 H new ATOM 0 HA3 GLY A 3 3.544 -16.118 -10.070 1.00 14.51 H new ATOM 37 N LYS A 4 4.469 -18.306 -7.738 1.00 32.25 N ATOM 38 CA LYS A 4 4.028 -19.105 -6.577 1.00 23.32 C ATOM 39 C LYS A 4 3.916 -18.208 -5.335 1.00 34.23 C ATOM 40 O LYS A 4 2.939 -18.282 -4.577 1.00 33.04 O ATOM 41 CB LYS A 4 5.025 -20.274 -6.340 1.00 72.22 C ATOM 42 CG LYS A 4 4.724 -21.160 -5.113 1.00 73.13 C ATOM 43 CD LYS A 4 3.354 -21.876 -5.208 1.00 23.11 C ATOM 44 CE LYS A 4 3.068 -22.765 -3.993 1.00 3.21 C ATOM 45 NZ LYS A 4 1.782 -23.487 -4.131 1.00 62.42 N ATOM 0 H LYS A 4 5.430 -18.497 -8.023 1.00 32.25 H new ATOM 0 HA LYS A 4 3.043 -19.529 -6.775 1.00 23.32 H new ATOM 0 HB2 LYS A 4 5.037 -20.905 -7.229 1.00 72.22 H new ATOM 0 HB3 LYS A 4 6.027 -19.859 -6.230 1.00 72.22 H new ATOM 0 HG2 LYS A 4 5.512 -21.906 -5.008 1.00 73.13 H new ATOM 0 HG3 LYS A 4 4.745 -20.545 -4.213 1.00 73.13 H new ATOM 0 HD2 LYS A 4 2.564 -21.130 -5.302 1.00 23.11 H new ATOM 0 HD3 LYS A 4 3.328 -22.484 -6.112 1.00 23.11 H new ATOM 0 HE2 LYS A 4 3.878 -23.484 -3.870 1.00 3.21 H new ATOM 0 HE3 LYS A 4 3.046 -22.153 -3.091 1.00 3.21 H new ATOM 0 HZ1 LYS A 4 1.624 -24.078 -3.290 1.00 62.42 H new ATOM 0 HZ2 LYS A 4 1.006 -22.800 -4.223 1.00 62.42 H new ATOM 0 HZ3 LYS A 4 1.812 -24.091 -4.977 1.00 62.42 H new ATOM 59 N GLU A 5 4.937 -17.379 -5.135 1.00 71.24 N ATOM 60 CA GLU A 5 4.922 -16.311 -4.128 1.00 13.42 C ATOM 61 C GLU A 5 4.130 -15.097 -4.662 1.00 62.01 C ATOM 62 O GLU A 5 3.991 -14.920 -5.880 1.00 50.11 O ATOM 63 CB GLU A 5 6.375 -15.917 -3.774 1.00 4.11 C ATOM 64 CG GLU A 5 7.240 -17.059 -3.210 1.00 3.52 C ATOM 65 CD GLU A 5 6.704 -17.636 -1.888 1.00 11.32 C ATOM 66 OE1 GLU A 5 7.025 -17.085 -0.815 1.00 60.45 O ATOM 67 OE2 GLU A 5 5.962 -18.640 -1.918 1.00 11.00 O ATOM 0 H GLU A 5 5.805 -17.426 -5.668 1.00 71.24 H new ATOM 0 HA GLU A 5 4.429 -16.664 -3.222 1.00 13.42 H new ATOM 0 HB2 GLU A 5 6.857 -15.524 -4.669 1.00 4.11 H new ATOM 0 HB3 GLU A 5 6.349 -15.107 -3.045 1.00 4.11 H new ATOM 0 HG2 GLU A 5 7.300 -17.858 -3.949 1.00 3.52 H new ATOM 0 HG3 GLU A 5 8.255 -16.693 -3.053 1.00 3.52 H new ATOM 74 N LEU A 6 3.631 -14.259 -3.742 1.00 50.13 N ATOM 75 CA LEU A 6 2.743 -13.134 -4.080 1.00 14.14 C ATOM 76 C LEU A 6 3.580 -11.876 -4.380 1.00 22.21 C ATOM 77 O LEU A 6 4.077 -11.221 -3.454 1.00 61.44 O ATOM 78 CB LEU A 6 1.739 -12.891 -2.915 1.00 5.32 C ATOM 79 CG LEU A 6 0.900 -14.135 -2.463 1.00 32.12 C ATOM 80 CD1 LEU A 6 -0.131 -13.756 -1.382 1.00 31.22 C ATOM 81 CD2 LEU A 6 0.221 -14.835 -3.660 1.00 30.33 C ATOM 0 H LEU A 6 3.830 -14.340 -2.745 1.00 50.13 H new ATOM 0 HA LEU A 6 2.169 -13.373 -4.976 1.00 14.14 H new ATOM 0 HB2 LEU A 6 2.295 -12.520 -2.054 1.00 5.32 H new ATOM 0 HB3 LEU A 6 1.050 -12.101 -3.214 1.00 5.32 H new ATOM 0 HG LEU A 6 1.597 -14.848 -2.023 1.00 32.12 H new ATOM 0 HD11 LEU A 6 -0.696 -14.642 -1.091 1.00 31.22 H new ATOM 0 HD12 LEU A 6 0.386 -13.353 -0.511 1.00 31.22 H new ATOM 0 HD13 LEU A 6 -0.814 -13.004 -1.778 1.00 31.22 H new ATOM 0 HD21 LEU A 6 -0.351 -15.692 -3.304 1.00 30.33 H new ATOM 0 HD22 LEU A 6 -0.448 -14.134 -4.159 1.00 30.33 H new ATOM 0 HD23 LEU A 6 0.982 -15.173 -4.363 1.00 30.33 H new ATOM 93 N ARG A 7 3.744 -11.559 -5.685 1.00 74.00 N ATOM 94 CA ARG A 7 4.527 -10.391 -6.127 1.00 44.21 C ATOM 95 C ARG A 7 3.709 -9.110 -5.936 1.00 31.34 C ATOM 96 O ARG A 7 2.591 -8.985 -6.457 1.00 45.33 O ATOM 97 CB ARG A 7 4.995 -10.511 -7.618 1.00 20.23 C ATOM 98 CG ARG A 7 6.253 -11.379 -7.852 1.00 73.14 C ATOM 99 CD ARG A 7 6.042 -12.872 -7.564 1.00 43.22 C ATOM 100 NE ARG A 7 7.304 -13.610 -7.664 1.00 3.31 N ATOM 101 CZ ARG A 7 7.456 -14.921 -7.469 1.00 23.51 C ATOM 102 NH1 ARG A 7 6.425 -15.691 -7.156 1.00 12.54 N ATOM 103 NH2 ARG A 7 8.662 -15.455 -7.568 1.00 71.30 N ATOM 0 H ARG A 7 3.341 -12.101 -6.450 1.00 74.00 H new ATOM 0 HA ARG A 7 5.425 -10.353 -5.510 1.00 44.21 H new ATOM 0 HB2 ARG A 7 4.175 -10.924 -8.206 1.00 20.23 H new ATOM 0 HB3 ARG A 7 5.189 -9.509 -8.001 1.00 20.23 H new ATOM 0 HG2 ARG A 7 6.576 -11.261 -8.886 1.00 73.14 H new ATOM 0 HG3 ARG A 7 7.061 -11.008 -7.221 1.00 73.14 H new ATOM 0 HD2 ARG A 7 5.621 -12.998 -6.566 1.00 43.22 H new ATOM 0 HD3 ARG A 7 5.319 -13.283 -8.269 1.00 43.22 H new ATOM 0 HE ARG A 7 8.139 -13.075 -7.903 1.00 3.31 H new ATOM 0 HH11 ARG A 7 5.495 -15.284 -7.060 1.00 12.54 H new ATOM 0 HH12 ARG A 7 6.561 -16.691 -7.011 1.00 12.54 H new ATOM 0 HH21 ARG A 7 9.464 -14.866 -7.791 1.00 71.30 H new ATOM 0 HH22 ARG A 7 8.790 -16.456 -7.421 1.00 71.30 H new ATOM 117 N VAL A 8 4.277 -8.175 -5.159 1.00 44.24 N ATOM 118 CA VAL A 8 3.707 -6.845 -4.942 1.00 71.43 C ATOM 119 C VAL A 8 4.570 -5.812 -5.703 1.00 75.33 C ATOM 120 O VAL A 8 5.807 -5.885 -5.692 1.00 24.32 O ATOM 121 CB VAL A 8 3.624 -6.473 -3.397 1.00 12.13 C ATOM 122 CG1 VAL A 8 3.031 -7.631 -2.561 1.00 32.12 C ATOM 123 CG2 VAL A 8 4.983 -6.043 -2.813 1.00 72.15 C ATOM 0 H VAL A 8 5.154 -8.327 -4.661 1.00 44.24 H new ATOM 0 HA VAL A 8 2.684 -6.837 -5.319 1.00 71.43 H new ATOM 0 HB VAL A 8 2.953 -5.616 -3.335 1.00 12.13 H new ATOM 0 HG11 VAL A 8 2.991 -7.339 -1.512 1.00 32.12 H new ATOM 0 HG12 VAL A 8 2.025 -7.856 -2.914 1.00 32.12 H new ATOM 0 HG13 VAL A 8 3.659 -8.515 -2.667 1.00 32.12 H new ATOM 0 HG21 VAL A 8 4.865 -5.801 -1.757 1.00 72.15 H new ATOM 0 HG22 VAL A 8 5.700 -6.857 -2.921 1.00 72.15 H new ATOM 0 HG23 VAL A 8 5.347 -5.166 -3.347 1.00 72.15 H new ATOM 133 N GLU A 9 3.927 -4.898 -6.422 1.00 73.24 N ATOM 134 CA GLU A 9 4.591 -3.704 -6.960 1.00 13.23 C ATOM 135 C GLU A 9 3.964 -2.489 -6.296 1.00 63.14 C ATOM 136 O GLU A 9 2.913 -1.998 -6.735 1.00 53.21 O ATOM 137 CB GLU A 9 4.466 -3.623 -8.508 1.00 42.11 C ATOM 138 CG GLU A 9 5.278 -4.693 -9.268 1.00 61.44 C ATOM 139 CD GLU A 9 5.156 -4.563 -10.793 1.00 20.01 C ATOM 140 OE1 GLU A 9 5.886 -3.739 -11.389 1.00 14.52 O ATOM 141 OE2 GLU A 9 4.301 -5.254 -11.398 1.00 60.13 O ATOM 0 H GLU A 9 2.935 -4.958 -6.651 1.00 73.24 H new ATOM 0 HA GLU A 9 5.658 -3.747 -6.743 1.00 13.23 H new ATOM 0 HB2 GLU A 9 3.415 -3.719 -8.781 1.00 42.11 H new ATOM 0 HB3 GLU A 9 4.792 -2.636 -8.836 1.00 42.11 H new ATOM 0 HG2 GLU A 9 6.328 -4.615 -8.984 1.00 61.44 H new ATOM 0 HG3 GLU A 9 4.939 -5.683 -8.964 1.00 61.44 H new ATOM 148 N ILE A 10 4.607 -2.011 -5.221 1.00 4.15 N ATOM 149 CA ILE A 10 4.162 -0.812 -4.525 1.00 43.30 C ATOM 150 C ILE A 10 4.923 0.369 -5.147 1.00 23.52 C ATOM 151 O ILE A 10 6.143 0.478 -4.990 1.00 52.03 O ATOM 152 CB ILE A 10 4.465 -0.884 -2.980 1.00 34.25 C ATOM 153 CG1 ILE A 10 3.863 -2.168 -2.317 1.00 24.03 C ATOM 154 CG2 ILE A 10 3.963 0.399 -2.272 1.00 63.34 C ATOM 155 CD1 ILE A 10 2.349 -2.288 -2.356 1.00 4.34 C ATOM 0 H ILE A 10 5.439 -2.444 -4.819 1.00 4.15 H new ATOM 0 HA ILE A 10 3.083 -0.703 -4.631 1.00 43.30 H new ATOM 0 HB ILE A 10 5.546 -0.949 -2.860 1.00 34.25 H new ATOM 0 HG12 ILE A 10 4.290 -3.042 -2.809 1.00 24.03 H new ATOM 0 HG13 ILE A 10 4.184 -2.200 -1.276 1.00 24.03 H new ATOM 0 HG21 ILE A 10 4.179 0.334 -1.206 1.00 63.34 H new ATOM 0 HG22 ILE A 10 4.468 1.268 -2.693 1.00 63.34 H new ATOM 0 HG23 ILE A 10 2.887 0.498 -2.419 1.00 63.34 H new ATOM 0 HD11 ILE A 10 2.045 -3.214 -1.869 1.00 4.34 H new ATOM 0 HD12 ILE A 10 1.903 -1.441 -1.835 1.00 4.34 H new ATOM 0 HD13 ILE A 10 2.011 -2.295 -3.392 1.00 4.34 H new ATOM 167 N LYS A 11 4.199 1.234 -5.860 1.00 44.40 N ATOM 168 CA LYS A 11 4.778 2.389 -6.567 1.00 22.11 C ATOM 169 C LYS A 11 4.389 3.681 -5.855 1.00 44.34 C ATOM 170 O LYS A 11 3.211 4.040 -5.798 1.00 4.23 O ATOM 171 CB LYS A 11 4.315 2.425 -8.058 1.00 53.42 C ATOM 172 CG LYS A 11 4.920 1.312 -8.947 1.00 52.31 C ATOM 173 CD LYS A 11 4.462 1.397 -10.426 1.00 22.42 C ATOM 174 CE LYS A 11 5.275 0.473 -11.355 1.00 12.21 C ATOM 175 NZ LYS A 11 5.252 -0.949 -10.913 1.00 13.54 N ATOM 0 H LYS A 11 3.188 1.156 -5.967 1.00 44.40 H new ATOM 0 HA LYS A 11 5.864 2.291 -6.558 1.00 22.11 H new ATOM 0 HB2 LYS A 11 3.228 2.346 -8.089 1.00 53.42 H new ATOM 0 HB3 LYS A 11 4.577 3.394 -8.483 1.00 53.42 H new ATOM 0 HG2 LYS A 11 6.007 1.374 -8.906 1.00 52.31 H new ATOM 0 HG3 LYS A 11 4.640 0.340 -8.542 1.00 52.31 H new ATOM 0 HD2 LYS A 11 3.406 1.133 -10.491 1.00 22.42 H new ATOM 0 HD3 LYS A 11 4.555 2.426 -10.772 1.00 22.42 H new ATOM 0 HE2 LYS A 11 4.877 0.541 -12.368 1.00 12.21 H new ATOM 0 HE3 LYS A 11 6.307 0.821 -11.394 1.00 12.21 H new ATOM 0 HZ1 LYS A 11 5.881 -1.512 -11.521 1.00 13.54 H new ATOM 0 HZ2 LYS A 11 5.577 -1.011 -9.927 1.00 13.54 H new ATOM 0 HZ3 LYS A 11 4.282 -1.318 -10.982 1.00 13.54 H new ATOM 189 N ILE A 12 5.388 4.359 -5.275 1.00 33.41 N ATOM 190 CA ILE A 12 5.211 5.698 -4.706 1.00 75.31 C ATOM 191 C ILE A 12 5.683 6.705 -5.760 1.00 63.31 C ATOM 192 O ILE A 12 6.881 6.769 -6.069 1.00 70.51 O ATOM 193 CB ILE A 12 6.009 5.868 -3.352 1.00 35.52 C ATOM 194 CG1 ILE A 12 5.703 4.678 -2.376 1.00 3.12 C ATOM 195 CG2 ILE A 12 5.691 7.233 -2.684 1.00 2.45 C ATOM 196 CD1 ILE A 12 4.230 4.457 -2.070 1.00 73.42 C ATOM 0 H ILE A 12 6.337 3.995 -5.188 1.00 33.41 H new ATOM 0 HA ILE A 12 4.163 5.865 -4.459 1.00 75.31 H new ATOM 0 HB ILE A 12 7.074 5.852 -3.582 1.00 35.52 H new ATOM 0 HG12 ILE A 12 6.110 3.763 -2.805 1.00 3.12 H new ATOM 0 HG13 ILE A 12 6.231 4.853 -1.438 1.00 3.12 H new ATOM 0 HG21 ILE A 12 6.253 7.323 -1.755 1.00 2.45 H new ATOM 0 HG22 ILE A 12 5.972 8.042 -3.358 1.00 2.45 H new ATOM 0 HG23 ILE A 12 4.624 7.293 -2.470 1.00 2.45 H new ATOM 0 HD11 ILE A 12 4.123 3.614 -1.388 1.00 73.42 H new ATOM 0 HD12 ILE A 12 3.816 5.353 -1.607 1.00 73.42 H new ATOM 0 HD13 ILE A 12 3.694 4.246 -2.995 1.00 73.42 H new ATOM 208 N ASP A 13 4.739 7.482 -6.320 1.00 15.53 N ATOM 209 CA ASP A 13 5.040 8.383 -7.437 1.00 43.02 C ATOM 210 C ASP A 13 5.470 9.736 -6.859 1.00 2.31 C ATOM 211 O ASP A 13 4.632 10.556 -6.467 1.00 23.24 O ATOM 212 CB ASP A 13 3.805 8.524 -8.376 1.00 71.22 C ATOM 213 CG ASP A 13 4.118 9.224 -9.725 1.00 12.05 C ATOM 214 OD1 ASP A 13 4.514 10.411 -9.730 1.00 4.24 O ATOM 215 OD2 ASP A 13 3.939 8.600 -10.794 1.00 51.41 O ATOM 0 H ASP A 13 3.766 7.501 -6.016 1.00 15.53 H new ATOM 0 HA ASP A 13 5.851 7.978 -8.043 1.00 43.02 H new ATOM 0 HB2 ASP A 13 3.399 7.533 -8.578 1.00 71.22 H new ATOM 0 HB3 ASP A 13 3.029 9.087 -7.857 1.00 71.22 H new ATOM 220 N CYS A 14 6.792 9.952 -6.813 1.00 45.14 N ATOM 221 CA CYS A 14 7.402 11.206 -6.344 1.00 64.50 C ATOM 222 C CYS A 14 7.705 12.116 -7.554 1.00 3.00 C ATOM 223 O CYS A 14 8.723 12.822 -7.588 1.00 22.33 O ATOM 224 CB CYS A 14 8.681 10.869 -5.535 1.00 64.24 C ATOM 225 SG CYS A 14 10.008 10.126 -6.512 1.00 64.44 S ATOM 0 H CYS A 14 7.476 9.254 -7.103 1.00 45.14 H new ATOM 0 HA CYS A 14 6.719 11.747 -5.690 1.00 64.50 H new ATOM 0 HB2 CYS A 14 9.055 11.782 -5.072 1.00 64.24 H new ATOM 0 HB3 CYS A 14 8.416 10.187 -4.727 1.00 64.24 H new ATOM 0 HG CYS A 14 11.029 9.885 -5.745 1.00 64.44 H new ATOM 231 N GLY A 15 6.768 12.122 -8.533 1.00 60.42 N ATOM 232 CA GLY A 15 6.956 12.823 -9.807 1.00 63.44 C ATOM 233 C GLY A 15 7.938 12.101 -10.726 1.00 64.43 C ATOM 234 O GLY A 15 8.363 12.653 -11.752 1.00 64.34 O ATOM 0 H GLY A 15 5.871 11.643 -8.454 1.00 60.42 H new ATOM 0 HA2 GLY A 15 5.994 12.920 -10.311 1.00 63.44 H new ATOM 0 HA3 GLY A 15 7.318 13.833 -9.614 1.00 63.44 H new ATOM 238 N ASN A 16 8.276 10.849 -10.361 1.00 73.34 N ATOM 239 CA ASN A 16 9.322 10.059 -11.030 1.00 1.24 C ATOM 240 C ASN A 16 8.741 9.310 -12.248 1.00 22.21 C ATOM 241 O ASN A 16 8.219 8.196 -12.137 1.00 62.24 O ATOM 242 CB ASN A 16 10.027 9.091 -10.019 1.00 10.51 C ATOM 243 CG ASN A 16 9.088 8.119 -9.294 1.00 4.22 C ATOM 244 OD1 ASN A 16 7.968 8.460 -8.938 1.00 41.30 O ATOM 245 ND2 ASN A 16 9.534 6.901 -9.077 1.00 24.42 N ATOM 0 H ASN A 16 7.827 10.357 -9.589 1.00 73.34 H new ATOM 0 HA ASN A 16 10.088 10.739 -11.403 1.00 1.24 H new ATOM 0 HB2 ASN A 16 10.780 8.514 -10.556 1.00 10.51 H new ATOM 0 HB3 ASN A 16 10.554 9.688 -9.274 1.00 10.51 H new ATOM 0 HD21 ASN A 16 8.943 6.218 -8.603 1.00 24.42 H new ATOM 0 HD22 ASN A 16 10.471 6.639 -9.383 1.00 24.42 H new ATOM 252 N ASP A 17 8.771 9.980 -13.405 1.00 44.20 N ATOM 253 CA ASP A 17 8.364 9.386 -14.692 1.00 65.33 C ATOM 254 C ASP A 17 9.482 8.467 -15.221 1.00 45.13 C ATOM 255 O ASP A 17 9.226 7.370 -15.735 1.00 24.05 O ATOM 256 CB ASP A 17 8.047 10.515 -15.705 1.00 55.04 C ATOM 257 CG ASP A 17 7.515 9.997 -17.059 1.00 2.33 C ATOM 258 OD1 ASP A 17 6.353 9.540 -17.110 1.00 71.03 O ATOM 259 OD2 ASP A 17 8.247 10.050 -18.074 1.00 42.23 O ATOM 0 H ASP A 17 9.078 10.950 -13.480 1.00 44.20 H new ATOM 0 HA ASP A 17 7.466 8.784 -14.552 1.00 65.33 H new ATOM 0 HB2 ASP A 17 7.310 11.188 -15.268 1.00 55.04 H new ATOM 0 HB3 ASP A 17 8.950 11.101 -15.878 1.00 55.04 H new ATOM 264 N ASP A 18 10.728 8.932 -15.039 1.00 11.15 N ATOM 265 CA ASP A 18 11.950 8.255 -15.520 1.00 2.32 C ATOM 266 C ASP A 18 12.676 7.526 -14.351 1.00 52.02 C ATOM 267 O ASP A 18 13.914 7.494 -14.274 1.00 25.13 O ATOM 268 CB ASP A 18 12.870 9.311 -16.216 1.00 1.01 C ATOM 269 CG ASP A 18 14.034 8.688 -17.019 1.00 13.12 C ATOM 270 OD1 ASP A 18 13.779 8.093 -18.085 1.00 4.04 O ATOM 271 OD2 ASP A 18 15.205 8.793 -16.591 1.00 54.32 O ATOM 0 H ASP A 18 10.921 9.803 -14.546 1.00 11.15 H new ATOM 0 HA ASP A 18 11.688 7.487 -16.248 1.00 2.32 H new ATOM 0 HB2 ASP A 18 12.265 9.922 -16.886 1.00 1.01 H new ATOM 0 HB3 ASP A 18 13.280 9.979 -15.458 1.00 1.01 H new ATOM 276 N LYS A 19 11.888 6.923 -13.439 1.00 12.14 N ATOM 277 CA LYS A 19 12.419 6.077 -12.353 1.00 0.35 C ATOM 278 C LYS A 19 11.340 5.097 -11.889 1.00 62.22 C ATOM 279 O LYS A 19 10.219 5.510 -11.556 1.00 73.24 O ATOM 280 CB LYS A 19 12.940 6.920 -11.149 1.00 62.45 C ATOM 281 CG LYS A 19 13.568 6.092 -9.996 1.00 62.23 C ATOM 282 CD LYS A 19 14.823 5.300 -10.435 1.00 63.43 C ATOM 283 CE LYS A 19 15.320 4.311 -9.364 1.00 15.21 C ATOM 284 NZ LYS A 19 15.795 4.983 -8.119 1.00 51.40 N ATOM 0 H LYS A 19 10.872 7.008 -13.434 1.00 12.14 H new ATOM 0 HA LYS A 19 13.272 5.525 -12.749 1.00 0.35 H new ATOM 0 HB2 LYS A 19 13.683 7.629 -11.515 1.00 62.45 H new ATOM 0 HB3 LYS A 19 12.112 7.505 -10.748 1.00 62.45 H new ATOM 0 HG2 LYS A 19 13.835 6.762 -9.179 1.00 62.23 H new ATOM 0 HG3 LYS A 19 12.824 5.397 -9.608 1.00 62.23 H new ATOM 0 HD2 LYS A 19 14.598 4.752 -11.350 1.00 63.43 H new ATOM 0 HD3 LYS A 19 15.623 6.001 -10.672 1.00 63.43 H new ATOM 0 HE2 LYS A 19 14.514 3.622 -9.112 1.00 15.21 H new ATOM 0 HE3 LYS A 19 16.132 3.713 -9.779 1.00 15.21 H new ATOM 0 HZ1 LYS A 19 16.116 4.265 -7.438 1.00 51.40 H new ATOM 0 HZ2 LYS A 19 16.584 5.621 -8.348 1.00 51.40 H new ATOM 0 HZ3 LYS A 19 15.016 5.532 -7.702 1.00 51.40 H new ATOM 298 N GLU A 20 11.680 3.800 -11.894 1.00 73.41 N ATOM 299 CA GLU A 20 10.821 2.747 -11.342 1.00 71.31 C ATOM 300 C GLU A 20 11.057 2.642 -9.816 1.00 22.31 C ATOM 301 O GLU A 20 12.182 2.423 -9.347 1.00 53.03 O ATOM 302 CB GLU A 20 11.029 1.370 -12.073 1.00 50.25 C ATOM 303 CG GLU A 20 12.401 0.659 -11.904 1.00 54.24 C ATOM 304 CD GLU A 20 13.600 1.427 -12.488 1.00 34.04 C ATOM 305 OE1 GLU A 20 13.772 1.432 -13.725 1.00 34.55 O ATOM 306 OE2 GLU A 20 14.362 2.052 -11.721 1.00 1.41 O ATOM 0 H GLU A 20 12.558 3.454 -12.281 1.00 73.41 H new ATOM 0 HA GLU A 20 9.779 3.017 -11.515 1.00 71.31 H new ATOM 0 HB2 GLU A 20 10.253 0.687 -11.727 1.00 50.25 H new ATOM 0 HB3 GLU A 20 10.863 1.528 -13.139 1.00 50.25 H new ATOM 0 HG2 GLU A 20 12.578 0.489 -10.842 1.00 54.24 H new ATOM 0 HG3 GLU A 20 12.348 -0.321 -12.379 1.00 54.24 H new ATOM 313 N THR A 21 9.987 2.873 -9.050 1.00 41.52 N ATOM 314 CA THR A 21 9.965 2.727 -7.594 1.00 13.01 C ATOM 315 C THR A 21 8.992 1.601 -7.253 1.00 4.12 C ATOM 316 O THR A 21 7.783 1.762 -7.399 1.00 13.42 O ATOM 317 CB THR A 21 9.520 4.059 -6.896 1.00 14.35 C ATOM 318 OG1 THR A 21 10.441 5.110 -7.234 1.00 45.31 O ATOM 319 CG2 THR A 21 9.447 3.926 -5.358 1.00 54.20 C ATOM 0 H THR A 21 9.092 3.174 -9.435 1.00 41.52 H new ATOM 0 HA THR A 21 10.967 2.493 -7.233 1.00 13.01 H new ATOM 0 HB THR A 21 8.518 4.293 -7.256 1.00 14.35 H new ATOM 0 HG1 THR A 21 10.161 5.942 -6.799 1.00 45.31 H new ATOM 0 HG21 THR A 21 9.134 4.876 -4.925 1.00 54.20 H new ATOM 0 HG22 THR A 21 8.726 3.152 -5.094 1.00 54.20 H new ATOM 0 HG23 THR A 21 10.429 3.656 -4.969 1.00 54.20 H new ATOM 327 N THR A 22 9.532 0.454 -6.852 1.00 61.15 N ATOM 328 CA THR A 22 8.750 -0.714 -6.444 1.00 50.11 C ATOM 329 C THR A 22 9.338 -1.273 -5.155 1.00 61.11 C ATOM 330 O THR A 22 10.561 -1.430 -5.042 1.00 1.15 O ATOM 331 CB THR A 22 8.739 -1.820 -7.552 1.00 73.21 C ATOM 332 OG1 THR A 22 10.072 -2.030 -8.036 1.00 41.34 O ATOM 333 CG2 THR A 22 7.818 -1.462 -8.729 1.00 44.04 C ATOM 0 H THR A 22 10.540 0.305 -6.800 1.00 61.15 H new ATOM 0 HA THR A 22 7.718 -0.403 -6.286 1.00 50.11 H new ATOM 0 HB THR A 22 8.351 -2.731 -7.097 1.00 73.21 H new ATOM 0 HG1 THR A 22 10.704 -1.969 -7.290 1.00 41.34 H new ATOM 0 HG21 THR A 22 7.846 -2.261 -9.469 1.00 44.04 H new ATOM 0 HG22 THR A 22 6.797 -1.338 -8.368 1.00 44.04 H new ATOM 0 HG23 THR A 22 8.156 -0.532 -9.186 1.00 44.04 H new ATOM 341 N TYR A 23 8.463 -1.562 -4.193 1.00 45.53 N ATOM 342 CA TYR A 23 8.844 -2.209 -2.942 1.00 15.30 C ATOM 343 C TYR A 23 8.413 -3.664 -3.053 1.00 41.42 C ATOM 344 O TYR A 23 7.249 -3.942 -3.353 1.00 63.02 O ATOM 345 CB TYR A 23 8.147 -1.511 -1.744 1.00 53.40 C ATOM 346 CG TYR A 23 8.580 -0.048 -1.551 1.00 1.55 C ATOM 347 CD1 TYR A 23 7.965 0.995 -2.258 1.00 10.11 C ATOM 348 CD2 TYR A 23 9.621 0.287 -0.684 1.00 60.22 C ATOM 349 CE1 TYR A 23 8.378 2.303 -2.105 1.00 33.01 C ATOM 350 CE2 TYR A 23 10.028 1.595 -0.528 1.00 14.44 C ATOM 351 CZ TYR A 23 9.406 2.600 -1.241 1.00 31.25 C ATOM 352 OH TYR A 23 9.815 3.910 -1.081 1.00 51.43 O ATOM 0 H TYR A 23 7.467 -1.353 -4.261 1.00 45.53 H new ATOM 0 HA TYR A 23 9.918 -2.141 -2.771 1.00 15.30 H new ATOM 0 HB2 TYR A 23 7.068 -1.546 -1.891 1.00 53.40 H new ATOM 0 HB3 TYR A 23 8.363 -2.069 -0.833 1.00 53.40 H new ATOM 0 HD1 TYR A 23 7.154 0.771 -2.934 1.00 10.11 H new ATOM 0 HD2 TYR A 23 10.117 -0.493 -0.125 1.00 60.22 H new ATOM 0 HE1 TYR A 23 7.895 3.092 -2.663 1.00 33.01 H new ATOM 0 HE2 TYR A 23 10.833 1.833 0.152 1.00 14.44 H new ATOM 0 HH TYR A 23 10.550 3.946 -0.434 1.00 51.43 H new ATOM 362 N ASP A 24 9.368 -4.579 -2.844 1.00 13.30 N ATOM 363 CA ASP A 24 9.158 -6.024 -3.003 1.00 64.33 C ATOM 364 C ASP A 24 9.062 -6.672 -1.621 1.00 24.55 C ATOM 365 O ASP A 24 9.999 -6.588 -0.818 1.00 1.31 O ATOM 366 CB ASP A 24 10.312 -6.661 -3.815 1.00 73.05 C ATOM 367 CG ASP A 24 10.441 -6.090 -5.240 1.00 55.25 C ATOM 368 OD1 ASP A 24 9.778 -6.609 -6.165 1.00 4.11 O ATOM 369 OD2 ASP A 24 11.210 -5.120 -5.439 1.00 43.14 O ATOM 0 H ASP A 24 10.316 -4.335 -2.557 1.00 13.30 H new ATOM 0 HA ASP A 24 8.230 -6.191 -3.551 1.00 64.33 H new ATOM 0 HB2 ASP A 24 11.250 -6.506 -3.283 1.00 73.05 H new ATOM 0 HB3 ASP A 24 10.154 -7.738 -3.875 1.00 73.05 H new ATOM 374 N LEU A 25 7.915 -7.292 -1.359 1.00 62.43 N ATOM 375 CA LEU A 25 7.648 -8.050 -0.135 1.00 53.13 C ATOM 376 C LEU A 25 6.721 -9.210 -0.486 1.00 54.41 C ATOM 377 O LEU A 25 6.142 -9.242 -1.583 1.00 12.10 O ATOM 378 CB LEU A 25 7.041 -7.123 0.965 1.00 73.55 C ATOM 379 CG LEU A 25 5.646 -6.453 0.658 1.00 41.22 C ATOM 380 CD1 LEU A 25 4.442 -7.318 1.101 1.00 45.42 C ATOM 381 CD2 LEU A 25 5.545 -5.047 1.258 1.00 15.41 C ATOM 0 H LEU A 25 7.126 -7.283 -2.005 1.00 62.43 H new ATOM 0 HA LEU A 25 8.575 -8.450 0.277 1.00 53.13 H new ATOM 0 HB2 LEU A 25 6.941 -7.707 1.880 1.00 73.55 H new ATOM 0 HB3 LEU A 25 7.759 -6.329 1.170 1.00 73.55 H new ATOM 0 HG LEU A 25 5.596 -6.371 -0.428 1.00 41.22 H new ATOM 0 HD11 LEU A 25 3.514 -6.800 0.861 1.00 45.42 H new ATOM 0 HD12 LEU A 25 4.469 -8.274 0.578 1.00 45.42 H new ATOM 0 HD13 LEU A 25 4.494 -7.490 2.176 1.00 45.42 H new ATOM 0 HD21 LEU A 25 4.569 -4.621 1.024 1.00 15.41 H new ATOM 0 HD22 LEU A 25 5.666 -5.103 2.340 1.00 15.41 H new ATOM 0 HD23 LEU A 25 6.327 -4.415 0.838 1.00 15.41 H new ATOM 393 N TYR A 26 6.571 -10.156 0.444 1.00 62.22 N ATOM 394 CA TYR A 26 5.779 -11.367 0.223 1.00 15.14 C ATOM 395 C TYR A 26 4.881 -11.624 1.428 1.00 70.52 C ATOM 396 O TYR A 26 5.362 -11.705 2.564 1.00 4.55 O ATOM 397 CB TYR A 26 6.714 -12.572 -0.038 1.00 53.12 C ATOM 398 CG TYR A 26 7.517 -12.441 -1.344 1.00 34.54 C ATOM 399 CD1 TYR A 26 6.888 -12.586 -2.581 1.00 31.21 C ATOM 400 CD2 TYR A 26 8.884 -12.138 -1.339 1.00 24.15 C ATOM 401 CE1 TYR A 26 7.587 -12.446 -3.763 1.00 11.44 C ATOM 402 CE2 TYR A 26 9.587 -12.001 -2.522 1.00 33.24 C ATOM 403 CZ TYR A 26 8.934 -12.153 -3.730 1.00 13.24 C ATOM 404 OH TYR A 26 9.633 -12.009 -4.910 1.00 45.20 O ATOM 0 H TYR A 26 6.995 -10.104 1.370 1.00 62.22 H new ATOM 0 HA TYR A 26 5.147 -11.231 -0.655 1.00 15.14 H new ATOM 0 HB2 TYR A 26 7.406 -12.675 0.798 1.00 53.12 H new ATOM 0 HB3 TYR A 26 6.119 -13.485 -0.074 1.00 53.12 H new ATOM 0 HD1 TYR A 26 5.833 -12.812 -2.614 1.00 31.21 H new ATOM 0 HD2 TYR A 26 9.397 -12.009 -0.397 1.00 24.15 H new ATOM 0 HE1 TYR A 26 7.081 -12.565 -4.710 1.00 11.44 H new ATOM 0 HE2 TYR A 26 10.643 -11.776 -2.502 1.00 33.24 H new ATOM 0 HH TYR A 26 10.570 -11.803 -4.712 1.00 45.20 H new ATOM 414 N PHE A 27 3.569 -11.696 1.160 1.00 40.44 N ATOM 415 CA PHE A 27 2.574 -12.126 2.134 1.00 3.44 C ATOM 416 C PHE A 27 2.714 -13.645 2.333 1.00 14.23 C ATOM 417 O PHE A 27 2.273 -14.442 1.495 1.00 32.11 O ATOM 418 CB PHE A 27 1.152 -11.716 1.649 1.00 3.04 C ATOM 419 CG PHE A 27 -0.024 -12.167 2.539 1.00 45.25 C ATOM 420 CD1 PHE A 27 -0.557 -13.461 2.453 1.00 70.25 C ATOM 421 CD2 PHE A 27 -0.583 -11.301 3.473 1.00 13.55 C ATOM 422 CE1 PHE A 27 -1.593 -13.861 3.271 1.00 51.53 C ATOM 423 CE2 PHE A 27 -1.627 -11.706 4.284 1.00 54.42 C ATOM 424 CZ PHE A 27 -2.123 -12.987 4.186 1.00 32.25 C ATOM 0 H PHE A 27 3.173 -11.454 0.252 1.00 40.44 H new ATOM 0 HA PHE A 27 2.732 -11.640 3.097 1.00 3.44 H new ATOM 0 HB2 PHE A 27 1.119 -10.630 1.561 1.00 3.04 H new ATOM 0 HB3 PHE A 27 1.000 -12.121 0.649 1.00 3.04 H new ATOM 0 HD1 PHE A 27 -0.149 -14.156 1.734 1.00 70.25 H new ATOM 0 HD2 PHE A 27 -0.196 -10.297 3.566 1.00 13.55 H new ATOM 0 HE1 PHE A 27 -1.987 -14.863 3.191 1.00 51.53 H new ATOM 0 HE2 PHE A 27 -2.055 -11.016 4.996 1.00 54.42 H new ATOM 0 HZ PHE A 27 -2.930 -13.304 4.830 1.00 32.25 H new ATOM 434 N SER A 28 3.425 -14.013 3.394 1.00 62.42 N ATOM 435 CA SER A 28 3.517 -15.397 3.871 1.00 3.20 C ATOM 436 C SER A 28 2.365 -15.689 4.847 1.00 62.32 C ATOM 437 O SER A 28 1.843 -16.810 4.910 1.00 11.12 O ATOM 438 CB SER A 28 4.871 -15.594 4.576 1.00 34.53 C ATOM 439 OG SER A 28 5.941 -15.163 3.762 1.00 32.31 O ATOM 0 H SER A 28 3.962 -13.353 3.957 1.00 62.42 H new ATOM 0 HA SER A 28 3.442 -16.084 3.028 1.00 3.20 H new ATOM 0 HB2 SER A 28 4.879 -15.039 5.514 1.00 34.53 H new ATOM 0 HB3 SER A 28 5.003 -16.647 4.827 1.00 34.53 H new ATOM 0 HG SER A 28 6.788 -15.299 4.236 1.00 32.31 H new ATOM 445 N LYS A 29 1.990 -14.645 5.603 1.00 63.24 N ATOM 446 CA LYS A 29 0.979 -14.711 6.671 1.00 3.20 C ATOM 447 C LYS A 29 0.555 -13.271 7.031 1.00 53.42 C ATOM 448 O LYS A 29 1.330 -12.334 6.803 1.00 34.51 O ATOM 449 CB LYS A 29 1.576 -15.462 7.900 1.00 14.52 C ATOM 450 CG LYS A 29 0.593 -15.764 9.044 1.00 11.01 C ATOM 451 CD LYS A 29 1.229 -16.629 10.159 1.00 54.21 C ATOM 452 CE LYS A 29 0.246 -16.969 11.289 1.00 50.33 C ATOM 453 NZ LYS A 29 0.878 -17.825 12.330 1.00 5.34 N ATOM 0 H LYS A 29 2.389 -13.713 5.487 1.00 63.24 H new ATOM 0 HA LYS A 29 0.097 -15.261 6.343 1.00 3.20 H new ATOM 0 HB2 LYS A 29 2.002 -16.404 7.554 1.00 14.52 H new ATOM 0 HB3 LYS A 29 2.398 -14.868 8.300 1.00 14.52 H new ATOM 0 HG2 LYS A 29 0.240 -14.826 9.473 1.00 11.01 H new ATOM 0 HG3 LYS A 29 -0.280 -16.279 8.642 1.00 11.01 H new ATOM 0 HD2 LYS A 29 1.607 -17.554 9.723 1.00 54.21 H new ATOM 0 HD3 LYS A 29 2.086 -16.101 10.577 1.00 54.21 H new ATOM 0 HE2 LYS A 29 -0.116 -16.048 11.746 1.00 50.33 H new ATOM 0 HE3 LYS A 29 -0.622 -17.482 10.874 1.00 50.33 H new ATOM 0 HZ1 LYS A 29 0.184 -18.034 13.076 1.00 5.34 H new ATOM 0 HZ2 LYS A 29 1.201 -18.715 11.899 1.00 5.34 H new ATOM 0 HZ3 LYS A 29 1.691 -17.326 12.743 1.00 5.34 H new ATOM 467 N ALA A 30 -0.667 -13.103 7.581 1.00 11.30 N ATOM 468 CA ALA A 30 -1.239 -11.777 7.908 1.00 4.45 C ATOM 469 C ALA A 30 -0.451 -11.063 9.021 1.00 53.40 C ATOM 470 O ALA A 30 -0.302 -9.835 8.989 1.00 21.34 O ATOM 471 CB ALA A 30 -2.720 -11.919 8.288 1.00 10.52 C ATOM 0 H ALA A 30 -1.285 -13.881 7.811 1.00 11.30 H new ATOM 0 HA ALA A 30 -1.160 -11.154 7.017 1.00 4.45 H new ATOM 0 HB1 ALA A 30 -3.130 -10.938 8.526 1.00 10.52 H new ATOM 0 HB2 ALA A 30 -3.271 -12.349 7.451 1.00 10.52 H new ATOM 0 HB3 ALA A 30 -2.812 -12.571 9.156 1.00 10.52 H new ATOM 477 N GLU A 31 0.046 -11.848 9.994 1.00 4.52 N ATOM 478 CA GLU A 31 0.886 -11.342 11.107 1.00 14.24 C ATOM 479 C GLU A 31 2.181 -10.717 10.565 1.00 23.33 C ATOM 480 O GLU A 31 2.582 -9.623 10.971 1.00 44.11 O ATOM 481 CB GLU A 31 1.201 -12.489 12.115 1.00 23.40 C ATOM 482 CG GLU A 31 0.045 -12.846 13.085 1.00 74.24 C ATOM 483 CD GLU A 31 -1.310 -13.098 12.393 1.00 64.14 C ATOM 484 OE1 GLU A 31 -1.513 -14.195 11.832 1.00 65.21 O ATOM 485 OE2 GLU A 31 -2.163 -12.180 12.375 1.00 45.55 O ATOM 0 H GLU A 31 -0.121 -12.853 10.035 1.00 4.52 H new ATOM 0 HA GLU A 31 0.332 -10.566 11.636 1.00 14.24 H new ATOM 0 HB2 GLU A 31 1.472 -13.382 11.552 1.00 23.40 H new ATOM 0 HB3 GLU A 31 2.074 -12.206 12.703 1.00 23.40 H new ATOM 0 HG2 GLU A 31 0.322 -13.736 13.650 1.00 74.24 H new ATOM 0 HG3 GLU A 31 -0.073 -12.036 13.805 1.00 74.24 H new ATOM 492 N GLU A 32 2.791 -11.427 9.609 1.00 51.11 N ATOM 493 CA GLU A 32 4.021 -11.002 8.925 1.00 43.30 C ATOM 494 C GLU A 32 3.758 -9.772 8.040 1.00 42.54 C ATOM 495 O GLU A 32 4.554 -8.829 8.021 1.00 34.41 O ATOM 496 CB GLU A 32 4.556 -12.193 8.096 1.00 2.41 C ATOM 497 CG GLU A 32 4.957 -13.406 8.976 1.00 31.11 C ATOM 498 CD GLU A 32 5.447 -14.624 8.186 1.00 32.42 C ATOM 499 OE1 GLU A 32 6.369 -14.468 7.360 1.00 13.11 O ATOM 500 OE2 GLU A 32 4.920 -15.740 8.381 1.00 22.52 O ATOM 0 H GLU A 32 2.440 -12.327 9.283 1.00 51.11 H new ATOM 0 HA GLU A 32 4.772 -10.708 9.658 1.00 43.30 H new ATOM 0 HB2 GLU A 32 3.794 -12.504 7.382 1.00 2.41 H new ATOM 0 HB3 GLU A 32 5.421 -11.868 7.518 1.00 2.41 H new ATOM 0 HG2 GLU A 32 5.742 -13.096 9.666 1.00 31.11 H new ATOM 0 HG3 GLU A 32 4.099 -13.701 9.580 1.00 31.11 H new ATOM 507 N ALA A 33 2.587 -9.786 7.378 1.00 10.43 N ATOM 508 CA ALA A 33 2.146 -8.732 6.456 1.00 33.31 C ATOM 509 C ALA A 33 2.033 -7.369 7.158 1.00 72.50 C ATOM 510 O ALA A 33 2.334 -6.353 6.550 1.00 12.23 O ATOM 511 CB ALA A 33 0.809 -9.123 5.829 1.00 42.32 C ATOM 0 H ALA A 33 1.912 -10.544 7.473 1.00 10.43 H new ATOM 0 HA ALA A 33 2.898 -8.631 5.674 1.00 33.31 H new ATOM 0 HB1 ALA A 33 0.485 -8.339 5.145 1.00 42.32 H new ATOM 0 HB2 ALA A 33 0.924 -10.058 5.280 1.00 42.32 H new ATOM 0 HB3 ALA A 33 0.063 -9.252 6.613 1.00 42.32 H new ATOM 517 N LYS A 34 1.618 -7.382 8.450 1.00 30.05 N ATOM 518 CA LYS A 34 1.459 -6.158 9.274 1.00 64.42 C ATOM 519 C LYS A 34 2.794 -5.379 9.407 1.00 73.01 C ATOM 520 O LYS A 34 2.805 -4.142 9.408 1.00 22.11 O ATOM 521 CB LYS A 34 0.901 -6.527 10.684 1.00 62.03 C ATOM 522 CG LYS A 34 0.729 -5.322 11.649 1.00 44.23 C ATOM 523 CD LYS A 34 0.257 -5.730 13.068 1.00 11.43 C ATOM 524 CE LYS A 34 0.263 -4.547 14.058 1.00 23.30 C ATOM 525 NZ LYS A 34 -0.250 -4.934 15.403 1.00 2.41 N ATOM 0 H LYS A 34 1.385 -8.241 8.949 1.00 30.05 H new ATOM 0 HA LYS A 34 0.747 -5.506 8.768 1.00 64.42 H new ATOM 0 HB2 LYS A 34 -0.065 -7.017 10.561 1.00 62.03 H new ATOM 0 HB3 LYS A 34 1.570 -7.253 11.146 1.00 62.03 H new ATOM 0 HG2 LYS A 34 1.678 -4.792 11.729 1.00 44.23 H new ATOM 0 HG3 LYS A 34 0.009 -4.624 11.222 1.00 44.23 H new ATOM 0 HD2 LYS A 34 -0.750 -6.143 13.007 1.00 11.43 H new ATOM 0 HD3 LYS A 34 0.903 -6.521 13.449 1.00 11.43 H new ATOM 0 HE2 LYS A 34 1.278 -4.162 14.155 1.00 23.30 H new ATOM 0 HE3 LYS A 34 -0.347 -3.738 13.658 1.00 23.30 H new ATOM 0 HZ1 LYS A 34 -0.227 -4.108 16.034 1.00 2.41 H new ATOM 0 HZ2 LYS A 34 -1.228 -5.277 15.316 1.00 2.41 H new ATOM 0 HZ3 LYS A 34 0.347 -5.688 15.798 1.00 2.41 H new ATOM 539 N GLU A 35 3.914 -6.124 9.505 1.00 43.20 N ATOM 540 CA GLU A 35 5.266 -5.541 9.611 1.00 60.11 C ATOM 541 C GLU A 35 5.662 -4.865 8.282 1.00 4.22 C ATOM 542 O GLU A 35 6.093 -3.709 8.268 1.00 41.11 O ATOM 543 CB GLU A 35 6.305 -6.629 9.980 1.00 14.22 C ATOM 544 CG GLU A 35 7.743 -6.096 10.173 1.00 75.51 C ATOM 545 CD GLU A 35 8.802 -7.202 10.269 1.00 5.01 C ATOM 546 OE1 GLU A 35 9.251 -7.695 9.208 1.00 54.33 O ATOM 547 OE2 GLU A 35 9.189 -7.586 11.395 1.00 20.02 O ATOM 0 H GLU A 35 3.906 -7.144 9.513 1.00 43.20 H new ATOM 0 HA GLU A 35 5.253 -4.791 10.402 1.00 60.11 H new ATOM 0 HB2 GLU A 35 5.987 -7.122 10.898 1.00 14.22 H new ATOM 0 HB3 GLU A 35 6.313 -7.387 9.197 1.00 14.22 H new ATOM 0 HG2 GLU A 35 7.992 -5.438 9.341 1.00 75.51 H new ATOM 0 HG3 GLU A 35 7.779 -5.491 11.079 1.00 75.51 H new ATOM 554 N LEU A 36 5.480 -5.611 7.172 1.00 3.15 N ATOM 555 CA LEU A 36 5.768 -5.133 5.801 1.00 52.30 C ATOM 556 C LEU A 36 4.879 -3.924 5.423 1.00 43.11 C ATOM 557 O LEU A 36 5.295 -3.044 4.667 1.00 70.20 O ATOM 558 CB LEU A 36 5.588 -6.291 4.771 1.00 24.23 C ATOM 559 CG LEU A 36 6.738 -7.359 4.676 1.00 73.21 C ATOM 560 CD1 LEU A 36 8.124 -6.692 4.520 1.00 75.15 C ATOM 561 CD2 LEU A 36 6.724 -8.372 5.841 1.00 31.14 C ATOM 0 H LEU A 36 5.127 -6.568 7.201 1.00 3.15 H new ATOM 0 HA LEU A 36 6.806 -4.800 5.775 1.00 52.30 H new ATOM 0 HB2 LEU A 36 4.662 -6.814 5.010 1.00 24.23 H new ATOM 0 HB3 LEU A 36 5.458 -5.847 3.784 1.00 24.23 H new ATOM 0 HG LEU A 36 6.540 -7.935 3.772 1.00 73.21 H new ATOM 0 HD11 LEU A 36 8.893 -7.462 4.458 1.00 75.15 H new ATOM 0 HD12 LEU A 36 8.138 -6.090 3.611 1.00 75.15 H new ATOM 0 HD13 LEU A 36 8.319 -6.053 5.381 1.00 75.15 H new ATOM 0 HD21 LEU A 36 7.542 -9.081 5.716 1.00 31.14 H new ATOM 0 HD22 LEU A 36 6.844 -7.842 6.786 1.00 31.14 H new ATOM 0 HD23 LEU A 36 5.776 -8.909 5.845 1.00 31.14 H new ATOM 573 N LEU A 37 3.658 -3.924 5.973 1.00 73.11 N ATOM 574 CA LEU A 37 2.657 -2.849 5.821 1.00 42.42 C ATOM 575 C LEU A 37 3.181 -1.538 6.419 1.00 30.11 C ATOM 576 O LEU A 37 3.096 -0.477 5.788 1.00 32.12 O ATOM 577 CB LEU A 37 1.338 -3.328 6.503 1.00 42.54 C ATOM 578 CG LEU A 37 0.151 -2.314 6.711 1.00 11.34 C ATOM 579 CD1 LEU A 37 -1.203 -3.053 6.678 1.00 64.11 C ATOM 580 CD2 LEU A 37 0.286 -1.539 8.049 1.00 61.33 C ATOM 0 H LEU A 37 3.325 -4.693 6.554 1.00 73.11 H new ATOM 0 HA LEU A 37 2.460 -2.645 4.768 1.00 42.42 H new ATOM 0 HB2 LEU A 37 0.954 -4.163 5.917 1.00 42.54 H new ATOM 0 HB3 LEU A 37 1.604 -3.723 7.484 1.00 42.54 H new ATOM 0 HG LEU A 37 0.194 -1.595 5.893 1.00 11.34 H new ATOM 0 HD11 LEU A 37 -2.012 -2.337 6.823 1.00 64.11 H new ATOM 0 HD12 LEU A 37 -1.324 -3.547 5.714 1.00 64.11 H new ATOM 0 HD13 LEU A 37 -1.230 -3.798 7.473 1.00 64.11 H new ATOM 0 HD21 LEU A 37 -0.551 -0.849 8.156 1.00 61.33 H new ATOM 0 HD22 LEU A 37 0.284 -2.244 8.880 1.00 61.33 H new ATOM 0 HD23 LEU A 37 1.221 -0.978 8.052 1.00 61.33 H new ATOM 592 N LYS A 38 3.720 -1.648 7.650 1.00 2.10 N ATOM 593 CA LYS A 38 4.308 -0.526 8.393 1.00 12.11 C ATOM 594 C LYS A 38 5.506 0.055 7.631 1.00 34.14 C ATOM 595 O LYS A 38 5.604 1.271 7.462 1.00 44.12 O ATOM 596 CB LYS A 38 4.757 -1.014 9.794 1.00 33.20 C ATOM 597 CG LYS A 38 5.408 0.074 10.686 1.00 31.31 C ATOM 598 CD LYS A 38 6.058 -0.501 11.965 1.00 4.32 C ATOM 599 CE LYS A 38 5.070 -1.274 12.851 1.00 62.34 C ATOM 600 NZ LYS A 38 5.741 -1.869 14.038 1.00 43.13 N ATOM 0 H LYS A 38 3.757 -2.532 8.158 1.00 2.10 H new ATOM 0 HA LYS A 38 3.558 0.257 8.504 1.00 12.11 H new ATOM 0 HB2 LYS A 38 3.891 -1.421 10.316 1.00 33.20 H new ATOM 0 HB3 LYS A 38 5.466 -1.832 9.668 1.00 33.20 H new ATOM 0 HG2 LYS A 38 6.165 0.605 10.108 1.00 31.31 H new ATOM 0 HG3 LYS A 38 4.651 0.806 10.968 1.00 31.31 H new ATOM 0 HD2 LYS A 38 6.877 -1.163 11.683 1.00 4.32 H new ATOM 0 HD3 LYS A 38 6.492 0.315 12.543 1.00 4.32 H new ATOM 0 HE2 LYS A 38 4.276 -0.604 13.180 1.00 62.34 H new ATOM 0 HE3 LYS A 38 4.598 -2.064 12.266 1.00 62.34 H new ATOM 0 HZ1 LYS A 38 5.041 -2.382 14.611 1.00 43.13 H new ATOM 0 HZ2 LYS A 38 6.482 -2.528 13.724 1.00 43.13 H new ATOM 0 HZ3 LYS A 38 6.169 -1.113 14.610 1.00 43.13 H new ATOM 614 N LYS A 39 6.391 -0.849 7.153 1.00 42.31 N ATOM 615 CA LYS A 39 7.619 -0.480 6.430 1.00 1.43 C ATOM 616 C LYS A 39 7.295 0.335 5.172 1.00 21.54 C ATOM 617 O LYS A 39 7.801 1.439 5.018 1.00 3.05 O ATOM 618 CB LYS A 39 8.438 -1.747 6.064 1.00 21.02 C ATOM 619 CG LYS A 39 9.008 -2.501 7.283 1.00 71.35 C ATOM 620 CD LYS A 39 9.779 -3.781 6.884 1.00 2.21 C ATOM 621 CE LYS A 39 10.407 -4.477 8.094 1.00 51.33 C ATOM 622 NZ LYS A 39 11.121 -5.728 7.734 1.00 31.24 N ATOM 0 H LYS A 39 6.269 -1.856 7.261 1.00 42.31 H new ATOM 0 HA LYS A 39 8.223 0.144 7.089 1.00 1.43 H new ATOM 0 HB2 LYS A 39 7.803 -2.426 5.495 1.00 21.02 H new ATOM 0 HB3 LYS A 39 9.262 -1.458 5.411 1.00 21.02 H new ATOM 0 HG2 LYS A 39 9.673 -1.838 7.837 1.00 71.35 H new ATOM 0 HG3 LYS A 39 8.192 -2.767 7.955 1.00 71.35 H new ATOM 0 HD2 LYS A 39 9.100 -4.470 6.382 1.00 2.21 H new ATOM 0 HD3 LYS A 39 10.560 -3.525 6.168 1.00 2.21 H new ATOM 0 HE2 LYS A 39 11.104 -3.793 8.579 1.00 51.33 H new ATOM 0 HE3 LYS A 39 9.627 -4.706 8.821 1.00 51.33 H new ATOM 0 HZ1 LYS A 39 10.630 -6.542 8.156 1.00 31.24 H new ATOM 0 HZ2 LYS A 39 11.138 -5.833 6.699 1.00 31.24 H new ATOM 0 HZ3 LYS A 39 12.096 -5.687 8.094 1.00 31.24 H new ATOM 636 N VAL A 40 6.395 -0.201 4.319 1.00 71.42 N ATOM 637 CA VAL A 40 5.938 0.474 3.086 1.00 64.40 C ATOM 638 C VAL A 40 5.356 1.861 3.396 1.00 74.12 C ATOM 639 O VAL A 40 5.664 2.832 2.702 1.00 62.34 O ATOM 640 CB VAL A 40 4.871 -0.409 2.328 1.00 73.03 C ATOM 641 CG1 VAL A 40 4.045 0.395 1.297 1.00 61.22 C ATOM 642 CG2 VAL A 40 5.560 -1.606 1.644 1.00 35.53 C ATOM 0 H VAL A 40 5.965 -1.114 4.467 1.00 71.42 H new ATOM 0 HA VAL A 40 6.805 0.605 2.439 1.00 64.40 H new ATOM 0 HB VAL A 40 4.169 -0.770 3.080 1.00 73.03 H new ATOM 0 HG11 VAL A 40 3.329 -0.266 0.809 1.00 61.22 H new ATOM 0 HG12 VAL A 40 3.510 1.197 1.805 1.00 61.22 H new ATOM 0 HG13 VAL A 40 4.713 0.822 0.549 1.00 61.22 H new ATOM 0 HG21 VAL A 40 4.814 -2.207 1.125 1.00 35.53 H new ATOM 0 HG22 VAL A 40 6.295 -1.241 0.927 1.00 35.53 H new ATOM 0 HG23 VAL A 40 6.059 -2.217 2.396 1.00 35.53 H new ATOM 652 N ALA A 41 4.540 1.927 4.456 1.00 31.52 N ATOM 653 CA ALA A 41 3.869 3.160 4.869 1.00 32.21 C ATOM 654 C ALA A 41 4.873 4.256 5.273 1.00 71.13 C ATOM 655 O ALA A 41 4.663 5.428 4.959 1.00 23.44 O ATOM 656 CB ALA A 41 2.900 2.865 6.013 1.00 41.21 C ATOM 0 H ALA A 41 4.328 1.125 5.050 1.00 31.52 H new ATOM 0 HA ALA A 41 3.310 3.540 4.014 1.00 32.21 H new ATOM 0 HB1 ALA A 41 2.404 3.787 6.316 1.00 41.21 H new ATOM 0 HB2 ALA A 41 2.154 2.143 5.681 1.00 41.21 H new ATOM 0 HB3 ALA A 41 3.451 2.454 6.859 1.00 41.21 H new ATOM 662 N GLU A 42 5.951 3.854 5.978 1.00 13.05 N ATOM 663 CA GLU A 42 7.008 4.776 6.451 1.00 3.23 C ATOM 664 C GLU A 42 7.939 5.205 5.304 1.00 62.21 C ATOM 665 O GLU A 42 8.324 6.375 5.221 1.00 20.20 O ATOM 666 CB GLU A 42 7.808 4.134 7.616 1.00 42.25 C ATOM 667 CG GLU A 42 6.936 3.813 8.855 1.00 45.54 C ATOM 668 CD GLU A 42 7.718 3.235 10.043 1.00 11.15 C ATOM 669 OE1 GLU A 42 8.287 2.129 9.907 1.00 2.32 O ATOM 670 OE2 GLU A 42 7.775 3.887 11.117 1.00 32.44 O ATOM 0 H GLU A 42 6.114 2.881 6.236 1.00 13.05 H new ATOM 0 HA GLU A 42 6.524 5.678 6.826 1.00 3.23 H new ATOM 0 HB2 GLU A 42 8.277 3.216 7.263 1.00 42.25 H new ATOM 0 HB3 GLU A 42 8.611 4.809 7.911 1.00 42.25 H new ATOM 0 HG2 GLU A 42 6.431 4.724 9.176 1.00 45.54 H new ATOM 0 HG3 GLU A 42 6.160 3.104 8.566 1.00 45.54 H new ATOM 677 N LYS A 43 8.259 4.252 4.407 1.00 55.23 N ATOM 678 CA LYS A 43 9.134 4.499 3.240 1.00 61.22 C ATOM 679 C LYS A 43 8.419 5.394 2.212 1.00 11.31 C ATOM 680 O LYS A 43 9.059 6.164 1.493 1.00 10.34 O ATOM 681 CB LYS A 43 9.599 3.165 2.588 1.00 32.40 C ATOM 682 CG LYS A 43 10.403 2.220 3.518 1.00 1.24 C ATOM 683 CD LYS A 43 11.608 2.905 4.202 1.00 55.11 C ATOM 684 CE LYS A 43 12.340 1.972 5.174 1.00 24.33 C ATOM 685 NZ LYS A 43 13.450 2.667 5.868 1.00 72.44 N ATOM 0 H LYS A 43 7.920 3.292 4.469 1.00 55.23 H new ATOM 0 HA LYS A 43 10.025 5.020 3.591 1.00 61.22 H new ATOM 0 HB2 LYS A 43 8.721 2.631 2.226 1.00 32.40 H new ATOM 0 HB3 LYS A 43 10.211 3.399 1.717 1.00 32.40 H new ATOM 0 HG2 LYS A 43 9.737 1.825 4.285 1.00 1.24 H new ATOM 0 HG3 LYS A 43 10.760 1.370 2.937 1.00 1.24 H new ATOM 0 HD2 LYS A 43 12.306 3.250 3.440 1.00 55.11 H new ATOM 0 HD3 LYS A 43 11.262 3.787 4.741 1.00 55.11 H new ATOM 0 HE2 LYS A 43 11.634 1.587 5.910 1.00 24.33 H new ATOM 0 HE3 LYS A 43 12.732 1.113 4.629 1.00 24.33 H new ATOM 0 HZ1 LYS A 43 13.922 2.005 6.517 1.00 72.44 H new ATOM 0 HZ2 LYS A 43 14.136 3.013 5.167 1.00 72.44 H new ATOM 0 HZ3 LYS A 43 13.072 3.471 6.408 1.00 72.44 H new ATOM 699 N ALA A 44 7.080 5.277 2.170 1.00 21.15 N ATOM 700 CA ALA A 44 6.208 6.142 1.368 1.00 40.21 C ATOM 701 C ALA A 44 6.120 7.527 2.001 1.00 43.13 C ATOM 702 O ALA A 44 6.238 8.541 1.305 1.00 63.13 O ATOM 703 CB ALA A 44 4.809 5.529 1.263 1.00 21.02 C ATOM 0 H ALA A 44 6.571 4.570 2.700 1.00 21.15 H new ATOM 0 HA ALA A 44 6.630 6.234 0.367 1.00 40.21 H new ATOM 0 HB1 ALA A 44 4.171 6.180 0.666 1.00 21.02 H new ATOM 0 HB2 ALA A 44 4.875 4.550 0.788 1.00 21.02 H new ATOM 0 HB3 ALA A 44 4.384 5.420 2.261 1.00 21.02 H new ATOM 709 N ALA A 45 5.946 7.532 3.345 1.00 34.05 N ATOM 710 CA ALA A 45 5.804 8.752 4.157 1.00 45.54 C ATOM 711 C ALA A 45 7.009 9.690 3.990 1.00 52.33 C ATOM 712 O ALA A 45 6.875 10.899 4.159 1.00 31.15 O ATOM 713 CB ALA A 45 5.591 8.402 5.637 1.00 45.10 C ATOM 0 H ALA A 45 5.901 6.675 3.897 1.00 34.05 H new ATOM 0 HA ALA A 45 4.922 9.282 3.796 1.00 45.54 H new ATOM 0 HB1 ALA A 45 5.489 9.319 6.217 1.00 45.10 H new ATOM 0 HB2 ALA A 45 4.686 7.803 5.743 1.00 45.10 H new ATOM 0 HB3 ALA A 45 6.446 7.835 6.003 1.00 45.10 H new ATOM 719 N ASP A 46 8.189 9.108 3.685 1.00 65.42 N ATOM 720 CA ASP A 46 9.418 9.872 3.387 1.00 61.40 C ATOM 721 C ASP A 46 9.241 10.757 2.136 1.00 54.54 C ATOM 722 O ASP A 46 9.589 11.934 2.152 1.00 54.35 O ATOM 723 CB ASP A 46 10.626 8.913 3.191 1.00 31.23 C ATOM 724 CG ASP A 46 10.972 8.092 4.450 1.00 12.42 C ATOM 725 OD1 ASP A 46 11.031 8.674 5.552 1.00 71.21 O ATOM 726 OD2 ASP A 46 11.212 6.875 4.343 1.00 54.31 O ATOM 0 H ASP A 46 8.315 8.097 3.639 1.00 65.42 H new ATOM 0 HA ASP A 46 9.615 10.522 4.240 1.00 61.40 H new ATOM 0 HB2 ASP A 46 10.408 8.230 2.370 1.00 31.23 H new ATOM 0 HB3 ASP A 46 11.498 9.496 2.896 1.00 31.23 H new ATOM 731 N LYS A 47 8.669 10.177 1.063 1.00 74.25 N ATOM 732 CA LYS A 47 8.407 10.899 -0.208 1.00 12.14 C ATOM 733 C LYS A 47 7.293 11.945 -0.006 1.00 34.15 C ATOM 734 O LYS A 47 7.330 13.027 -0.606 1.00 33.41 O ATOM 735 CB LYS A 47 8.021 9.923 -1.366 1.00 22.03 C ATOM 736 CG LYS A 47 9.173 9.056 -1.944 1.00 13.45 C ATOM 737 CD LYS A 47 9.740 8.032 -0.941 1.00 5.41 C ATOM 738 CE LYS A 47 10.785 7.101 -1.564 1.00 50.12 C ATOM 739 NZ LYS A 47 10.206 6.236 -2.630 1.00 61.24 N ATOM 0 H LYS A 47 8.375 9.200 1.047 1.00 74.25 H new ATOM 0 HA LYS A 47 9.331 11.402 -0.494 1.00 12.14 H new ATOM 0 HB2 LYS A 47 7.238 9.256 -1.005 1.00 22.03 H new ATOM 0 HB3 LYS A 47 7.592 10.509 -2.179 1.00 22.03 H new ATOM 0 HG2 LYS A 47 8.811 8.526 -2.825 1.00 13.45 H new ATOM 0 HG3 LYS A 47 9.978 9.712 -2.275 1.00 13.45 H new ATOM 0 HD2 LYS A 47 10.189 8.564 -0.102 1.00 5.41 H new ATOM 0 HD3 LYS A 47 8.922 7.434 -0.539 1.00 5.41 H new ATOM 0 HE2 LYS A 47 11.596 7.697 -1.983 1.00 50.12 H new ATOM 0 HE3 LYS A 47 11.220 6.474 -0.786 1.00 50.12 H new ATOM 0 HZ1 LYS A 47 10.833 6.241 -3.460 1.00 61.24 H new ATOM 0 HZ2 LYS A 47 10.111 5.263 -2.274 1.00 61.24 H new ATOM 0 HZ3 LYS A 47 9.270 6.599 -2.901 1.00 61.24 H new ATOM 753 N ILE A 48 6.313 11.612 0.867 1.00 42.03 N ATOM 754 CA ILE A 48 5.223 12.538 1.223 1.00 64.35 C ATOM 755 C ILE A 48 5.797 13.732 2.028 1.00 31.14 C ATOM 756 O ILE A 48 5.353 14.871 1.880 1.00 45.43 O ATOM 757 CB ILE A 48 4.067 11.858 2.060 1.00 21.44 C ATOM 758 CG1 ILE A 48 3.658 10.461 1.489 1.00 61.42 C ATOM 759 CG2 ILE A 48 2.832 12.790 2.124 1.00 54.13 C ATOM 760 CD1 ILE A 48 3.070 10.466 0.096 1.00 20.24 C ATOM 0 H ILE A 48 6.259 10.708 1.335 1.00 42.03 H new ATOM 0 HA ILE A 48 4.783 12.873 0.284 1.00 64.35 H new ATOM 0 HB ILE A 48 4.454 11.695 3.066 1.00 21.44 H new ATOM 0 HG12 ILE A 48 4.538 9.818 1.489 1.00 61.42 H new ATOM 0 HG13 ILE A 48 2.933 10.010 2.167 1.00 61.42 H new ATOM 0 HG21 ILE A 48 2.043 12.310 2.703 1.00 54.13 H new ATOM 0 HG22 ILE A 48 3.110 13.730 2.600 1.00 54.13 H new ATOM 0 HG23 ILE A 48 2.472 12.987 1.114 1.00 54.13 H new ATOM 0 HD11 ILE A 48 2.823 9.446 -0.198 1.00 20.24 H new ATOM 0 HD12 ILE A 48 2.167 11.076 0.085 1.00 20.24 H new ATOM 0 HD13 ILE A 48 3.796 10.880 -0.604 1.00 20.24 H new ATOM 772 N LYS A 49 6.816 13.434 2.855 1.00 35.30 N ATOM 773 CA LYS A 49 7.512 14.426 3.695 1.00 62.32 C ATOM 774 C LYS A 49 8.270 15.442 2.821 1.00 31.23 C ATOM 775 O LYS A 49 8.155 16.654 3.025 1.00 10.14 O ATOM 776 CB LYS A 49 8.483 13.690 4.666 1.00 45.22 C ATOM 777 CG LYS A 49 9.300 14.595 5.616 1.00 1.41 C ATOM 778 CD LYS A 49 10.181 13.780 6.598 1.00 24.14 C ATOM 779 CE LYS A 49 11.040 14.670 7.510 1.00 74.33 C ATOM 780 NZ LYS A 49 11.835 13.884 8.495 1.00 21.43 N ATOM 0 H LYS A 49 7.183 12.488 2.960 1.00 35.30 H new ATOM 0 HA LYS A 49 6.778 14.979 4.281 1.00 62.32 H new ATOM 0 HB2 LYS A 49 7.903 12.992 5.270 1.00 45.22 H new ATOM 0 HB3 LYS A 49 9.179 13.096 4.073 1.00 45.22 H new ATOM 0 HG2 LYS A 49 9.935 15.257 5.026 1.00 1.41 H new ATOM 0 HG3 LYS A 49 8.619 15.229 6.184 1.00 1.41 H new ATOM 0 HD2 LYS A 49 9.541 13.148 7.214 1.00 24.14 H new ATOM 0 HD3 LYS A 49 10.832 13.116 6.029 1.00 24.14 H new ATOM 0 HE2 LYS A 49 11.716 15.267 6.897 1.00 74.33 H new ATOM 0 HE3 LYS A 49 10.394 15.367 8.044 1.00 74.33 H new ATOM 0 HZ1 LYS A 49 12.396 14.532 9.084 1.00 21.43 H new ATOM 0 HZ2 LYS A 49 11.192 13.334 9.100 1.00 21.43 H new ATOM 0 HZ3 LYS A 49 12.473 13.237 7.989 1.00 21.43 H new ATOM 794 N LYS A 50 9.004 14.923 1.821 1.00 45.22 N ATOM 795 CA LYS A 50 9.900 15.726 0.967 1.00 2.04 C ATOM 796 C LYS A 50 9.123 16.665 0.024 1.00 14.33 C ATOM 797 O LYS A 50 9.521 17.822 -0.164 1.00 15.23 O ATOM 798 CB LYS A 50 10.827 14.792 0.147 1.00 23.42 C ATOM 799 CG LYS A 50 11.755 13.915 1.011 1.00 14.24 C ATOM 800 CD LYS A 50 12.675 12.993 0.178 1.00 51.11 C ATOM 801 CE LYS A 50 13.708 13.766 -0.655 1.00 40.43 C ATOM 802 NZ LYS A 50 14.699 12.854 -1.288 1.00 13.43 N ATOM 0 H LYS A 50 8.993 13.932 1.581 1.00 45.22 H new ATOM 0 HA LYS A 50 10.501 16.354 1.624 1.00 2.04 H new ATOM 0 HB2 LYS A 50 10.212 14.146 -0.479 1.00 23.42 H new ATOM 0 HB3 LYS A 50 11.437 15.399 -0.523 1.00 23.42 H new ATOM 0 HG2 LYS A 50 12.370 14.559 1.640 1.00 14.24 H new ATOM 0 HG3 LYS A 50 11.148 13.304 1.679 1.00 14.24 H new ATOM 0 HD2 LYS A 50 13.196 12.309 0.848 1.00 51.11 H new ATOM 0 HD3 LYS A 50 12.063 12.384 -0.487 1.00 51.11 H new ATOM 0 HE2 LYS A 50 13.196 14.340 -1.428 1.00 40.43 H new ATOM 0 HE3 LYS A 50 14.227 14.482 -0.018 1.00 40.43 H new ATOM 0 HZ1 LYS A 50 15.380 13.412 -1.842 1.00 13.43 H new ATOM 0 HZ2 LYS A 50 15.205 12.325 -0.549 1.00 13.43 H new ATOM 0 HZ3 LYS A 50 14.206 12.187 -1.916 1.00 13.43 H new ATOM 816 N GLN A 51 8.013 16.173 -0.558 1.00 31.04 N ATOM 817 CA GLN A 51 7.255 16.932 -1.583 1.00 40.40 C ATOM 818 C GLN A 51 5.730 16.798 -1.401 1.00 61.11 C ATOM 819 O GLN A 51 4.987 17.768 -1.615 1.00 65.45 O ATOM 820 CB GLN A 51 7.679 16.477 -3.008 1.00 15.20 C ATOM 821 CG GLN A 51 7.455 14.981 -3.317 1.00 2.11 C ATOM 822 CD GLN A 51 7.811 14.617 -4.755 1.00 75.21 C ATOM 823 OE1 GLN A 51 6.963 14.666 -5.649 1.00 10.01 O ATOM 824 NE2 GLN A 51 9.065 14.255 -4.997 1.00 63.02 N ATOM 0 H GLN A 51 7.619 15.258 -0.340 1.00 31.04 H new ATOM 0 HA GLN A 51 7.498 17.987 -1.456 1.00 40.40 H new ATOM 0 HB2 GLN A 51 7.128 17.069 -3.739 1.00 15.20 H new ATOM 0 HB3 GLN A 51 8.736 16.705 -3.145 1.00 15.20 H new ATOM 0 HG2 GLN A 51 8.056 14.379 -2.635 1.00 2.11 H new ATOM 0 HG3 GLN A 51 6.411 14.728 -3.130 1.00 2.11 H new ATOM 0 HE21 GLN A 51 9.743 14.224 -4.236 1.00 63.02 H new ATOM 0 HE22 GLN A 51 9.351 14.007 -5.944 1.00 63.02 H new ATOM 833 N GLY A 52 5.274 15.603 -0.993 1.00 34.23 N ATOM 834 CA GLY A 52 3.846 15.301 -0.907 1.00 41.43 C ATOM 835 C GLY A 52 3.348 14.612 -2.161 1.00 64.23 C ATOM 836 O GLY A 52 2.796 15.264 -3.054 1.00 22.30 O ATOM 0 H GLY A 52 5.881 14.831 -0.718 1.00 34.23 H new ATOM 0 HA2 GLY A 52 3.659 14.664 -0.042 1.00 41.43 H new ATOM 0 HA3 GLY A 52 3.287 16.223 -0.751 1.00 41.43 H new ATOM 840 N CYS A 53 3.588 13.292 -2.245 1.00 51.15 N ATOM 841 CA CYS A 53 3.110 12.471 -3.361 1.00 22.44 C ATOM 842 C CYS A 53 1.582 12.291 -3.252 1.00 24.33 C ATOM 843 O CYS A 53 1.088 11.474 -2.464 1.00 30.33 O ATOM 844 CB CYS A 53 3.843 11.118 -3.369 1.00 15.51 C ATOM 845 SG CYS A 53 5.642 11.279 -3.352 1.00 5.24 S ATOM 0 H CYS A 53 4.115 12.771 -1.544 1.00 51.15 H new ATOM 0 HA CYS A 53 3.325 12.969 -4.306 1.00 22.44 H new ATOM 0 HB2 CYS A 53 3.529 10.538 -2.501 1.00 15.51 H new ATOM 0 HB3 CYS A 53 3.544 10.556 -4.254 1.00 15.51 H new ATOM 0 HG CYS A 53 6.181 10.174 -3.776 1.00 5.24 H new ATOM 851 N LYS A 54 0.850 13.101 -4.036 1.00 23.44 N ATOM 852 CA LYS A 54 -0.626 13.144 -4.029 1.00 21.31 C ATOM 853 C LYS A 54 -1.252 11.933 -4.745 1.00 3.31 C ATOM 854 O LYS A 54 -2.476 11.806 -4.797 1.00 51.34 O ATOM 855 CB LYS A 54 -1.115 14.460 -4.689 1.00 54.23 C ATOM 856 CG LYS A 54 -0.541 15.757 -4.060 1.00 41.01 C ATOM 857 CD LYS A 54 -1.060 17.034 -4.761 1.00 71.24 C ATOM 858 CE LYS A 54 -0.723 17.075 -6.267 1.00 24.14 C ATOM 859 NZ LYS A 54 -1.460 18.155 -6.973 1.00 74.12 N ATOM 0 H LYS A 54 1.269 13.752 -4.700 1.00 23.44 H new ATOM 0 HA LYS A 54 -0.949 13.106 -2.989 1.00 21.31 H new ATOM 0 HB2 LYS A 54 -0.852 14.439 -5.747 1.00 54.23 H new ATOM 0 HB3 LYS A 54 -2.203 14.496 -4.632 1.00 54.23 H new ATOM 0 HG2 LYS A 54 -0.806 15.793 -3.003 1.00 41.01 H new ATOM 0 HG3 LYS A 54 0.547 15.733 -4.115 1.00 41.01 H new ATOM 0 HD2 LYS A 54 -2.141 17.098 -4.634 1.00 71.24 H new ATOM 0 HD3 LYS A 54 -0.630 17.909 -4.274 1.00 71.24 H new ATOM 0 HE2 LYS A 54 0.349 17.224 -6.395 1.00 24.14 H new ATOM 0 HE3 LYS A 54 -0.967 16.114 -6.719 1.00 24.14 H new ATOM 0 HZ1 LYS A 54 -1.719 17.832 -7.927 1.00 74.12 H new ATOM 0 HZ2 LYS A 54 -2.322 18.392 -6.441 1.00 74.12 H new ATOM 0 HZ3 LYS A 54 -0.855 18.998 -7.046 1.00 74.12 H new ATOM 873 N ARG A 55 -0.399 11.053 -5.287 1.00 54.02 N ATOM 874 CA ARG A 55 -0.815 9.856 -6.012 1.00 3.24 C ATOM 875 C ARG A 55 0.153 8.698 -5.681 1.00 1.11 C ATOM 876 O ARG A 55 1.380 8.841 -5.757 1.00 74.30 O ATOM 877 CB ARG A 55 -0.869 10.154 -7.539 1.00 53.32 C ATOM 878 CG ARG A 55 0.457 10.680 -8.128 1.00 42.41 C ATOM 879 CD ARG A 55 0.365 11.098 -9.602 1.00 72.04 C ATOM 880 NE ARG A 55 1.698 11.467 -10.105 1.00 22.41 N ATOM 881 CZ ARG A 55 1.982 12.413 -11.008 1.00 53.10 C ATOM 882 NH1 ARG A 55 1.026 13.158 -11.564 1.00 64.35 N ATOM 883 NH2 ARG A 55 3.244 12.591 -11.361 1.00 65.11 N ATOM 0 H ARG A 55 0.614 11.159 -5.230 1.00 54.02 H new ATOM 0 HA ARG A 55 -1.817 9.557 -5.703 1.00 3.24 H new ATOM 0 HB2 ARG A 55 -1.151 9.243 -8.066 1.00 53.32 H new ATOM 0 HB3 ARG A 55 -1.653 10.887 -7.727 1.00 53.32 H new ATOM 0 HG2 ARG A 55 0.790 11.535 -7.539 1.00 42.41 H new ATOM 0 HG3 ARG A 55 1.219 9.907 -8.027 1.00 42.41 H new ATOM 0 HD2 ARG A 55 -0.043 10.280 -10.196 1.00 72.04 H new ATOM 0 HD3 ARG A 55 -0.319 11.940 -9.708 1.00 72.04 H new ATOM 0 HE ARG A 55 2.489 10.947 -9.725 1.00 22.41 H new ATOM 0 HH11 ARG A 55 0.050 13.013 -11.303 1.00 64.35 H new ATOM 0 HH12 ARG A 55 1.270 13.872 -12.250 1.00 64.35 H new ATOM 0 HH21 ARG A 55 3.976 12.013 -10.947 1.00 65.11 H new ATOM 0 HH22 ARG A 55 3.486 13.306 -12.047 1.00 65.11 H new ATOM 897 N VAL A 56 -0.425 7.581 -5.253 1.00 50.00 N ATOM 898 CA VAL A 56 0.276 6.317 -4.983 1.00 51.34 C ATOM 899 C VAL A 56 -0.423 5.233 -5.815 1.00 53.40 C ATOM 900 O VAL A 56 -1.634 5.304 -6.009 1.00 5.21 O ATOM 901 CB VAL A 56 0.223 5.958 -3.445 1.00 41.44 C ATOM 902 CG1 VAL A 56 0.742 4.529 -3.150 1.00 73.45 C ATOM 903 CG2 VAL A 56 0.981 7.011 -2.591 1.00 23.12 C ATOM 0 H VAL A 56 -1.428 7.522 -5.077 1.00 50.00 H new ATOM 0 HA VAL A 56 1.329 6.397 -5.253 1.00 51.34 H new ATOM 0 HB VAL A 56 -0.829 5.980 -3.159 1.00 41.44 H new ATOM 0 HG11 VAL A 56 0.684 4.335 -2.079 1.00 73.45 H new ATOM 0 HG12 VAL A 56 0.130 3.802 -3.685 1.00 73.45 H new ATOM 0 HG13 VAL A 56 1.778 4.443 -3.478 1.00 73.45 H new ATOM 0 HG21 VAL A 56 0.925 6.734 -1.538 1.00 23.12 H new ATOM 0 HG22 VAL A 56 2.025 7.048 -2.902 1.00 23.12 H new ATOM 0 HG23 VAL A 56 0.525 7.991 -2.733 1.00 23.12 H new ATOM 913 N LYS A 57 0.335 4.261 -6.340 1.00 45.32 N ATOM 914 CA LYS A 57 -0.218 3.156 -7.143 1.00 32.25 C ATOM 915 C LYS A 57 0.231 1.820 -6.529 1.00 42.20 C ATOM 916 O LYS A 57 1.413 1.487 -6.555 1.00 21.45 O ATOM 917 CB LYS A 57 0.282 3.274 -8.615 1.00 14.14 C ATOM 918 CG LYS A 57 -0.120 4.589 -9.332 1.00 61.43 C ATOM 919 CD LYS A 57 0.625 4.799 -10.673 1.00 51.10 C ATOM 920 CE LYS A 57 0.140 6.045 -11.441 1.00 45.01 C ATOM 921 NZ LYS A 57 -1.288 5.928 -11.846 1.00 64.22 N ATOM 0 H LYS A 57 1.347 4.216 -6.222 1.00 45.32 H new ATOM 0 HA LYS A 57 -1.307 3.204 -7.143 1.00 32.25 H new ATOM 0 HB2 LYS A 57 1.369 3.189 -8.623 1.00 14.14 H new ATOM 0 HB3 LYS A 57 -0.108 2.431 -9.186 1.00 14.14 H new ATOM 0 HG2 LYS A 57 -1.194 4.582 -9.517 1.00 61.43 H new ATOM 0 HG3 LYS A 57 0.085 5.433 -8.673 1.00 61.43 H new ATOM 0 HD2 LYS A 57 1.693 4.892 -10.478 1.00 51.10 H new ATOM 0 HD3 LYS A 57 0.490 3.917 -11.299 1.00 51.10 H new ATOM 0 HE2 LYS A 57 0.269 6.929 -10.816 1.00 45.01 H new ATOM 0 HE3 LYS A 57 0.758 6.188 -12.327 1.00 45.01 H new ATOM 0 HZ1 LYS A 57 -1.542 6.729 -12.459 1.00 64.22 H new ATOM 0 HZ2 LYS A 57 -1.430 5.037 -12.363 1.00 64.22 H new ATOM 0 HZ3 LYS A 57 -1.891 5.937 -10.999 1.00 64.22 H new ATOM 935 N ILE A 58 -0.725 1.067 -5.981 1.00 0.33 N ATOM 936 CA ILE A 58 -0.493 -0.274 -5.418 1.00 24.02 C ATOM 937 C ILE A 58 -1.007 -1.302 -6.439 1.00 3.42 C ATOM 938 O ILE A 58 -2.189 -1.308 -6.758 1.00 11.32 O ATOM 939 CB ILE A 58 -1.245 -0.448 -4.034 1.00 62.11 C ATOM 940 CG1 ILE A 58 -0.693 0.561 -2.967 1.00 24.33 C ATOM 941 CG2 ILE A 58 -1.186 -1.911 -3.516 1.00 2.02 C ATOM 942 CD1 ILE A 58 -1.422 0.546 -1.625 1.00 3.11 C ATOM 0 H ILE A 58 -1.696 1.371 -5.913 1.00 0.33 H new ATOM 0 HA ILE A 58 0.570 -0.419 -5.228 1.00 24.02 H new ATOM 0 HB ILE A 58 -2.297 -0.218 -4.205 1.00 62.11 H new ATOM 0 HG12 ILE A 58 0.361 0.342 -2.793 1.00 24.33 H new ATOM 0 HG13 ILE A 58 -0.745 1.568 -3.380 1.00 24.33 H new ATOM 0 HG21 ILE A 58 -1.714 -1.982 -2.565 1.00 2.02 H new ATOM 0 HG22 ILE A 58 -1.656 -2.574 -4.243 1.00 2.02 H new ATOM 0 HG23 ILE A 58 -0.146 -2.206 -3.376 1.00 2.02 H new ATOM 0 HD11 ILE A 58 -0.967 1.277 -0.956 1.00 3.11 H new ATOM 0 HD12 ILE A 58 -2.471 0.798 -1.778 1.00 3.11 H new ATOM 0 HD13 ILE A 58 -1.348 -0.447 -1.182 1.00 3.11 H new ATOM 954 N ARG A 59 -0.109 -2.121 -6.994 1.00 21.31 N ATOM 955 CA ARG A 59 -0.470 -3.217 -7.919 1.00 62.11 C ATOM 956 C ARG A 59 -0.051 -4.543 -7.279 1.00 10.12 C ATOM 957 O ARG A 59 1.036 -4.634 -6.698 1.00 41.33 O ATOM 958 CB ARG A 59 0.203 -3.015 -9.305 1.00 14.41 C ATOM 959 CG ARG A 59 -0.258 -1.736 -10.041 1.00 74.34 C ATOM 960 CD ARG A 59 0.395 -1.557 -11.424 1.00 34.15 C ATOM 961 NE ARG A 59 -0.050 -0.302 -12.062 1.00 70.10 N ATOM 962 CZ ARG A 59 0.685 0.469 -12.881 1.00 63.21 C ATOM 963 NH1 ARG A 59 1.944 0.150 -13.185 1.00 41.43 N ATOM 964 NH2 ARG A 59 0.161 1.574 -13.383 1.00 72.12 N ATOM 0 H ARG A 59 0.893 -2.048 -6.819 1.00 21.31 H new ATOM 0 HA ARG A 59 -1.546 -3.223 -8.091 1.00 62.11 H new ATOM 0 HB2 ARG A 59 1.284 -2.977 -9.172 1.00 14.41 H new ATOM 0 HB3 ARG A 59 -0.010 -3.881 -9.932 1.00 14.41 H new ATOM 0 HG2 ARG A 59 -1.341 -1.765 -10.160 1.00 74.34 H new ATOM 0 HG3 ARG A 59 -0.028 -0.868 -9.424 1.00 74.34 H new ATOM 0 HD2 ARG A 59 1.480 -1.551 -11.320 1.00 34.15 H new ATOM 0 HD3 ARG A 59 0.141 -2.403 -12.062 1.00 34.15 H new ATOM 0 HE ARG A 59 -1.001 0.008 -11.863 1.00 70.10 H new ATOM 0 HH11 ARG A 59 2.365 -0.692 -12.794 1.00 41.43 H new ATOM 0 HH12 ARG A 59 2.485 0.749 -13.809 1.00 41.43 H new ATOM 0 HH21 ARG A 59 -0.796 1.837 -13.148 1.00 72.12 H new ATOM 0 HH22 ARG A 59 0.714 2.164 -14.005 1.00 72.12 H new ATOM 978 N PHE A 60 -0.918 -5.559 -7.384 1.00 62.32 N ATOM 979 CA PHE A 60 -0.746 -6.825 -6.661 1.00 60.33 C ATOM 980 C PHE A 60 -1.444 -7.982 -7.407 1.00 61.40 C ATOM 981 O PHE A 60 -2.494 -7.782 -8.035 1.00 72.10 O ATOM 982 CB PHE A 60 -1.312 -6.652 -5.223 1.00 14.43 C ATOM 983 CG PHE A 60 -1.272 -7.917 -4.376 1.00 0.33 C ATOM 984 CD1 PHE A 60 -0.057 -8.499 -4.035 1.00 0.24 C ATOM 985 CD2 PHE A 60 -2.443 -8.537 -3.949 1.00 24.44 C ATOM 986 CE1 PHE A 60 -0.010 -9.652 -3.281 1.00 61.34 C ATOM 987 CE2 PHE A 60 -2.391 -9.690 -3.201 1.00 62.15 C ATOM 988 CZ PHE A 60 -1.177 -10.250 -2.866 1.00 53.14 C ATOM 0 H PHE A 60 -1.753 -5.527 -7.969 1.00 62.32 H new ATOM 0 HA PHE A 60 0.312 -7.079 -6.603 1.00 60.33 H new ATOM 0 HB2 PHE A 60 -0.747 -5.871 -4.715 1.00 14.43 H new ATOM 0 HB3 PHE A 60 -2.344 -6.307 -5.291 1.00 14.43 H new ATOM 0 HD1 PHE A 60 0.864 -8.041 -4.366 1.00 0.24 H new ATOM 0 HD2 PHE A 60 -3.400 -8.109 -4.207 1.00 24.44 H new ATOM 0 HE1 PHE A 60 0.943 -10.086 -3.016 1.00 61.34 H new ATOM 0 HE2 PHE A 60 -3.307 -10.159 -2.874 1.00 62.15 H new ATOM 0 HZ PHE A 60 -1.142 -11.156 -2.279 1.00 53.14 H new ATOM 998 N GLU A 61 -0.841 -9.188 -7.323 1.00 70.00 N ATOM 999 CA GLU A 61 -1.396 -10.419 -7.911 1.00 21.21 C ATOM 1000 C GLU A 61 -2.459 -11.018 -6.966 1.00 63.22 C ATOM 1001 O GLU A 61 -2.122 -11.487 -5.875 1.00 2.30 O ATOM 1002 CB GLU A 61 -0.266 -11.458 -8.170 1.00 11.41 C ATOM 1003 CG GLU A 61 0.907 -10.944 -9.035 1.00 74.11 C ATOM 1004 CD GLU A 61 1.878 -12.057 -9.466 1.00 30.51 C ATOM 1005 OE1 GLU A 61 2.550 -12.650 -8.589 1.00 11.41 O ATOM 1006 OE2 GLU A 61 1.962 -12.361 -10.680 1.00 2.42 O ATOM 0 H GLU A 61 0.047 -9.332 -6.843 1.00 70.00 H new ATOM 0 HA GLU A 61 -1.863 -10.171 -8.864 1.00 21.21 H new ATOM 0 HB2 GLU A 61 0.129 -11.790 -7.210 1.00 11.41 H new ATOM 0 HB3 GLU A 61 -0.701 -12.332 -8.656 1.00 11.41 H new ATOM 0 HG2 GLU A 61 0.507 -10.456 -9.924 1.00 74.11 H new ATOM 0 HG3 GLU A 61 1.457 -10.187 -8.476 1.00 74.11 H new ATOM 1013 N LYS A 62 -3.735 -11.008 -7.392 1.00 75.30 N ATOM 1014 CA LYS A 62 -4.856 -11.493 -6.565 1.00 60.33 C ATOM 1015 C LYS A 62 -5.795 -12.353 -7.434 1.00 42.14 C ATOM 1016 O LYS A 62 -6.629 -11.815 -8.162 1.00 12.11 O ATOM 1017 CB LYS A 62 -5.595 -10.282 -5.889 1.00 64.00 C ATOM 1018 CG LYS A 62 -6.600 -10.613 -4.733 1.00 74.33 C ATOM 1019 CD LYS A 62 -7.998 -11.139 -5.179 1.00 12.20 C ATOM 1020 CE LYS A 62 -8.854 -10.092 -5.937 1.00 11.24 C ATOM 1021 NZ LYS A 62 -8.400 -9.863 -7.341 1.00 25.04 N ATOM 0 H LYS A 62 -4.017 -10.667 -8.311 1.00 75.30 H new ATOM 0 HA LYS A 62 -4.484 -12.123 -5.757 1.00 60.33 H new ATOM 0 HB2 LYS A 62 -4.840 -9.602 -5.496 1.00 64.00 H new ATOM 0 HB3 LYS A 62 -6.138 -9.742 -6.665 1.00 64.00 H new ATOM 0 HG2 LYS A 62 -6.143 -11.358 -4.082 1.00 74.33 H new ATOM 0 HG3 LYS A 62 -6.745 -9.714 -4.135 1.00 74.33 H new ATOM 0 HD2 LYS A 62 -7.860 -12.011 -5.818 1.00 12.20 H new ATOM 0 HD3 LYS A 62 -8.547 -11.473 -4.298 1.00 12.20 H new ATOM 0 HE2 LYS A 62 -9.893 -10.421 -5.948 1.00 11.24 H new ATOM 0 HE3 LYS A 62 -8.825 -9.147 -5.394 1.00 11.24 H new ATOM 0 HZ1 LYS A 62 -7.845 -8.985 -7.387 1.00 25.04 H new ATOM 0 HZ2 LYS A 62 -7.811 -10.662 -7.650 1.00 25.04 H new ATOM 0 HZ3 LYS A 62 -9.228 -9.782 -7.965 1.00 25.04 H new ATOM 1035 N LYS A 63 -5.585 -13.683 -7.384 1.00 60.30 N ATOM 1036 CA LYS A 63 -6.528 -14.697 -7.908 1.00 21.14 C ATOM 1037 C LYS A 63 -6.084 -16.077 -7.411 1.00 3.25 C ATOM 1038 O LYS A 63 -6.763 -16.714 -6.597 1.00 65.24 O ATOM 1039 CB LYS A 63 -6.614 -14.685 -9.463 1.00 51.23 C ATOM 1040 CG LYS A 63 -7.620 -15.691 -10.070 1.00 54.43 C ATOM 1041 CD LYS A 63 -9.054 -15.464 -9.549 1.00 15.31 C ATOM 1042 CE LYS A 63 -10.073 -16.456 -10.111 1.00 12.43 C ATOM 1043 NZ LYS A 63 -11.431 -16.187 -9.574 1.00 43.42 N ATOM 0 H LYS A 63 -4.745 -14.091 -6.974 1.00 60.30 H new ATOM 0 HA LYS A 63 -7.526 -14.459 -7.541 1.00 21.14 H new ATOM 0 HB2 LYS A 63 -6.886 -13.681 -9.789 1.00 51.23 H new ATOM 0 HB3 LYS A 63 -5.624 -14.895 -9.868 1.00 51.23 H new ATOM 0 HG2 LYS A 63 -7.611 -15.601 -11.156 1.00 54.43 H new ATOM 0 HG3 LYS A 63 -7.305 -16.707 -9.832 1.00 54.43 H new ATOM 0 HD2 LYS A 63 -9.052 -15.535 -8.461 1.00 15.31 H new ATOM 0 HD3 LYS A 63 -9.368 -14.451 -9.802 1.00 15.31 H new ATOM 0 HE2 LYS A 63 -10.089 -16.389 -11.199 1.00 12.43 H new ATOM 0 HE3 LYS A 63 -9.773 -17.473 -9.858 1.00 12.43 H new ATOM 0 HZ1 LYS A 63 -12.104 -16.874 -9.971 1.00 43.42 H new ATOM 0 HZ2 LYS A 63 -11.418 -16.274 -8.538 1.00 43.42 H new ATOM 0 HZ3 LYS A 63 -11.724 -15.224 -9.837 1.00 43.42 H new ATOM 1057 N GLY A 64 -4.908 -16.508 -7.892 1.00 32.30 N ATOM 1058 CA GLY A 64 -4.317 -17.778 -7.497 1.00 63.32 C ATOM 1059 C GLY A 64 -3.347 -17.612 -6.342 1.00 63.50 C ATOM 1060 O GLY A 64 -2.183 -18.002 -6.444 1.00 45.44 O ATOM 0 H GLY A 64 -4.348 -15.982 -8.563 1.00 32.30 H new ATOM 0 HA2 GLY A 64 -5.106 -18.473 -7.212 1.00 63.32 H new ATOM 0 HA3 GLY A 64 -3.797 -18.218 -8.348 1.00 63.32 H new ATOM 1064 N LEU A 65 -3.832 -17.017 -5.238 1.00 73.12 N ATOM 1065 CA LEU A 65 -3.046 -16.889 -3.997 1.00 34.41 C ATOM 1066 C LEU A 65 -3.375 -18.097 -3.109 1.00 35.24 C ATOM 1067 O LEU A 65 -2.594 -19.043 -2.987 1.00 31.11 O ATOM 1068 CB LEU A 65 -3.328 -15.553 -3.185 1.00 12.25 C ATOM 1069 CG LEU A 65 -3.955 -14.324 -3.927 1.00 32.24 C ATOM 1070 CD1 LEU A 65 -5.464 -14.525 -4.177 1.00 34.43 C ATOM 1071 CD2 LEU A 65 -3.712 -13.021 -3.133 1.00 73.45 C ATOM 0 H LEU A 65 -4.768 -16.616 -5.180 1.00 73.12 H new ATOM 0 HA LEU A 65 -1.994 -16.852 -4.279 1.00 34.41 H new ATOM 0 HB2 LEU A 65 -3.988 -15.807 -2.355 1.00 12.25 H new ATOM 0 HB3 LEU A 65 -2.382 -15.227 -2.752 1.00 12.25 H new ATOM 0 HG LEU A 65 -3.462 -14.240 -4.895 1.00 32.24 H new ATOM 0 HD11 LEU A 65 -5.866 -13.654 -4.693 1.00 34.43 H new ATOM 0 HD12 LEU A 65 -5.616 -15.413 -4.791 1.00 34.43 H new ATOM 0 HD13 LEU A 65 -5.977 -14.651 -3.224 1.00 34.43 H new ATOM 0 HD21 LEU A 65 -4.156 -12.181 -3.667 1.00 73.45 H new ATOM 0 HD22 LEU A 65 -4.168 -13.106 -2.147 1.00 73.45 H new ATOM 0 HD23 LEU A 65 -2.640 -12.856 -3.024 1.00 73.45 H new ATOM 1083 N ASP A 66 -4.609 -18.040 -2.586 1.00 1.12 N ATOM 1084 CA ASP A 66 -5.129 -18.880 -1.498 1.00 42.12 C ATOM 1085 C ASP A 66 -6.461 -18.254 -1.040 1.00 63.10 C ATOM 1086 O ASP A 66 -6.690 -17.059 -1.277 1.00 62.13 O ATOM 1087 CB ASP A 66 -4.107 -18.968 -0.312 1.00 13.20 C ATOM 1088 CG ASP A 66 -4.665 -19.606 0.973 1.00 35.42 C ATOM 1089 OD1 ASP A 66 -4.994 -20.804 0.959 1.00 64.02 O ATOM 1090 OD2 ASP A 66 -4.804 -18.895 1.990 1.00 44.13 O ATOM 0 H ASP A 66 -5.304 -17.375 -2.927 1.00 1.12 H new ATOM 0 HA ASP A 66 -5.286 -19.901 -1.845 1.00 42.12 H new ATOM 0 HB2 ASP A 66 -3.240 -19.542 -0.639 1.00 13.20 H new ATOM 0 HB3 ASP A 66 -3.755 -17.963 -0.079 1.00 13.20 H new ATOM 1095 N ASP A 67 -7.318 -19.061 -0.390 1.00 22.53 N ATOM 1096 CA ASP A 67 -8.638 -18.627 0.126 1.00 44.43 C ATOM 1097 C ASP A 67 -8.475 -17.457 1.117 1.00 54.11 C ATOM 1098 O ASP A 67 -9.056 -16.378 0.941 1.00 61.33 O ATOM 1099 CB ASP A 67 -9.344 -19.814 0.843 1.00 21.22 C ATOM 1100 CG ASP A 67 -9.441 -21.081 -0.021 1.00 44.43 C ATOM 1101 OD1 ASP A 67 -8.455 -21.854 -0.071 1.00 23.24 O ATOM 1102 OD2 ASP A 67 -10.491 -21.308 -0.664 1.00 65.13 O ATOM 0 H ASP A 67 -7.116 -20.043 -0.204 1.00 22.53 H new ATOM 0 HA ASP A 67 -9.244 -18.296 -0.717 1.00 44.43 H new ATOM 0 HB2 ASP A 67 -8.802 -20.049 1.759 1.00 21.22 H new ATOM 0 HB3 ASP A 67 -10.348 -19.506 1.136 1.00 21.22 H new ATOM 1107 N ASP A 68 -7.633 -17.701 2.134 1.00 41.15 N ATOM 1108 CA ASP A 68 -7.392 -16.770 3.241 1.00 62.01 C ATOM 1109 C ASP A 68 -6.561 -15.570 2.763 1.00 1.02 C ATOM 1110 O ASP A 68 -6.863 -14.429 3.130 1.00 73.14 O ATOM 1111 CB ASP A 68 -6.682 -17.513 4.405 1.00 52.43 C ATOM 1112 CG ASP A 68 -6.483 -16.649 5.671 1.00 64.44 C ATOM 1113 OD1 ASP A 68 -7.380 -16.647 6.541 1.00 42.42 O ATOM 1114 OD2 ASP A 68 -5.438 -15.974 5.812 1.00 73.05 O ATOM 0 H ASP A 68 -7.094 -18.564 2.209 1.00 41.15 H new ATOM 0 HA ASP A 68 -8.347 -16.390 3.603 1.00 62.01 H new ATOM 0 HB2 ASP A 68 -7.264 -18.396 4.668 1.00 52.43 H new ATOM 0 HB3 ASP A 68 -5.709 -17.863 4.060 1.00 52.43 H new ATOM 1119 N ALA A 69 -5.537 -15.838 1.915 1.00 52.43 N ATOM 1120 CA ALA A 69 -4.627 -14.802 1.402 1.00 22.44 C ATOM 1121 C ALA A 69 -5.367 -13.758 0.554 1.00 41.43 C ATOM 1122 O ALA A 69 -5.013 -12.590 0.580 1.00 31.53 O ATOM 1123 CB ALA A 69 -3.492 -15.438 0.598 1.00 72.42 C ATOM 0 H ALA A 69 -5.326 -16.776 1.573 1.00 52.43 H new ATOM 0 HA ALA A 69 -4.204 -14.283 2.262 1.00 22.44 H new ATOM 0 HB1 ALA A 69 -2.828 -14.658 0.226 1.00 72.42 H new ATOM 0 HB2 ALA A 69 -2.930 -16.118 1.238 1.00 72.42 H new ATOM 0 HB3 ALA A 69 -3.908 -15.992 -0.243 1.00 72.42 H new ATOM 1129 N ARG A 70 -6.399 -14.208 -0.188 1.00 12.43 N ATOM 1130 CA ARG A 70 -7.288 -13.331 -0.986 1.00 3.32 C ATOM 1131 C ARG A 70 -8.005 -12.297 -0.091 1.00 53.25 C ATOM 1132 O ARG A 70 -8.057 -11.103 -0.417 1.00 65.33 O ATOM 1133 CB ARG A 70 -8.299 -14.227 -1.792 1.00 21.01 C ATOM 1134 CG ARG A 70 -9.572 -13.530 -2.385 1.00 31.42 C ATOM 1135 CD ARG A 70 -10.790 -13.587 -1.431 1.00 20.33 C ATOM 1136 NE ARG A 70 -11.973 -12.887 -1.946 1.00 14.01 N ATOM 1137 CZ ARG A 70 -13.094 -12.662 -1.241 1.00 45.30 C ATOM 1138 NH1 ARG A 70 -13.204 -13.068 0.025 1.00 53.22 N ATOM 1139 NH2 ARG A 70 -14.113 -12.037 -1.813 1.00 42.35 N ATOM 0 H ARG A 70 -6.643 -15.196 -0.253 1.00 12.43 H new ATOM 0 HA ARG A 70 -6.694 -12.755 -1.696 1.00 3.32 H new ATOM 0 HB2 ARG A 70 -7.755 -14.690 -2.615 1.00 21.01 H new ATOM 0 HB3 ARG A 70 -8.631 -15.032 -1.136 1.00 21.01 H new ATOM 0 HG2 ARG A 70 -9.339 -12.489 -2.607 1.00 31.42 H new ATOM 0 HG3 ARG A 70 -9.834 -14.007 -3.330 1.00 31.42 H new ATOM 0 HD2 ARG A 70 -11.047 -14.630 -1.246 1.00 20.33 H new ATOM 0 HD3 ARG A 70 -10.510 -13.152 -0.471 1.00 20.33 H new ATOM 0 HE ARG A 70 -11.942 -12.547 -2.907 1.00 14.01 H new ATOM 0 HH11 ARG A 70 -12.429 -13.558 0.473 1.00 53.22 H new ATOM 0 HH12 ARG A 70 -14.063 -12.889 0.545 1.00 53.22 H new ATOM 0 HH21 ARG A 70 -14.043 -11.730 -2.783 1.00 42.35 H new ATOM 0 HH22 ARG A 70 -14.967 -11.863 -1.283 1.00 42.35 H new ATOM 1153 N LYS A 71 -8.539 -12.786 1.041 1.00 32.02 N ATOM 1154 CA LYS A 71 -9.352 -11.986 1.977 1.00 63.25 C ATOM 1155 C LYS A 71 -8.475 -10.967 2.722 1.00 60.30 C ATOM 1156 O LYS A 71 -8.847 -9.797 2.871 1.00 24.42 O ATOM 1157 CB LYS A 71 -10.056 -12.938 2.981 1.00 2.35 C ATOM 1158 CG LYS A 71 -11.134 -12.287 3.878 1.00 74.24 C ATOM 1159 CD LYS A 71 -12.380 -11.824 3.082 1.00 24.43 C ATOM 1160 CE LYS A 71 -13.472 -11.225 3.984 1.00 3.10 C ATOM 1161 NZ LYS A 71 -14.711 -10.903 3.227 1.00 65.44 N ATOM 0 H LYS A 71 -8.418 -13.755 1.336 1.00 32.02 H new ATOM 0 HA LYS A 71 -10.105 -11.431 1.417 1.00 63.25 H new ATOM 0 HB2 LYS A 71 -10.518 -13.750 2.420 1.00 2.35 H new ATOM 0 HB3 LYS A 71 -9.297 -13.385 3.623 1.00 2.35 H new ATOM 0 HG2 LYS A 71 -11.442 -13.000 4.643 1.00 74.24 H new ATOM 0 HG3 LYS A 71 -10.701 -11.431 4.395 1.00 74.24 H new ATOM 0 HD2 LYS A 71 -12.078 -11.082 2.342 1.00 24.43 H new ATOM 0 HD3 LYS A 71 -12.792 -12.672 2.534 1.00 24.43 H new ATOM 0 HE2 LYS A 71 -13.708 -11.929 4.782 1.00 3.10 H new ATOM 0 HE3 LYS A 71 -13.093 -10.320 4.459 1.00 3.10 H new ATOM 0 HZ1 LYS A 71 -15.419 -10.502 3.875 1.00 65.44 H new ATOM 0 HZ2 LYS A 71 -14.493 -10.211 2.482 1.00 65.44 H new ATOM 0 HZ3 LYS A 71 -15.089 -11.770 2.795 1.00 65.44 H new ATOM 1175 N LYS A 72 -7.298 -11.441 3.165 1.00 42.42 N ATOM 1176 CA LYS A 72 -6.323 -10.634 3.907 1.00 61.42 C ATOM 1177 C LYS A 72 -5.644 -9.600 2.987 1.00 75.23 C ATOM 1178 O LYS A 72 -5.254 -8.542 3.457 1.00 51.40 O ATOM 1179 CB LYS A 72 -5.245 -11.544 4.543 1.00 34.13 C ATOM 1180 CG LYS A 72 -5.736 -12.552 5.603 1.00 64.20 C ATOM 1181 CD LYS A 72 -6.322 -11.879 6.865 1.00 25.00 C ATOM 1182 CE LYS A 72 -6.549 -12.880 8.015 1.00 43.02 C ATOM 1183 NZ LYS A 72 -7.422 -14.013 7.618 1.00 51.10 N ATOM 0 H LYS A 72 -6.997 -12.404 3.015 1.00 42.42 H new ATOM 0 HA LYS A 72 -6.860 -10.103 4.693 1.00 61.42 H new ATOM 0 HB2 LYS A 72 -4.753 -12.100 3.745 1.00 34.13 H new ATOM 0 HB3 LYS A 72 -4.488 -10.908 5.001 1.00 34.13 H new ATOM 0 HG2 LYS A 72 -6.495 -13.195 5.158 1.00 64.20 H new ATOM 0 HG3 LYS A 72 -4.905 -13.194 5.895 1.00 64.20 H new ATOM 0 HD2 LYS A 72 -5.646 -11.092 7.200 1.00 25.00 H new ATOM 0 HD3 LYS A 72 -7.268 -11.400 6.612 1.00 25.00 H new ATOM 0 HE2 LYS A 72 -5.587 -13.267 8.351 1.00 43.02 H new ATOM 0 HE3 LYS A 72 -6.997 -12.360 8.862 1.00 43.02 H new ATOM 0 HZ1 LYS A 72 -8.147 -14.165 8.348 1.00 51.10 H new ATOM 0 HZ2 LYS A 72 -7.884 -13.795 6.712 1.00 51.10 H new ATOM 0 HZ3 LYS A 72 -6.848 -14.874 7.515 1.00 51.10 H new ATOM 1197 N ALA A 73 -5.494 -9.945 1.687 1.00 74.42 N ATOM 1198 CA ALA A 73 -4.871 -9.064 0.670 1.00 52.30 C ATOM 1199 C ALA A 73 -5.730 -7.826 0.414 1.00 11.43 C ATOM 1200 O ALA A 73 -5.215 -6.710 0.285 1.00 71.14 O ATOM 1201 CB ALA A 73 -4.675 -9.825 -0.643 1.00 3.30 C ATOM 0 H ALA A 73 -5.802 -10.843 1.313 1.00 74.42 H new ATOM 0 HA ALA A 73 -3.903 -8.745 1.055 1.00 52.30 H new ATOM 0 HB1 ALA A 73 -4.217 -9.166 -1.381 1.00 3.30 H new ATOM 0 HB2 ALA A 73 -4.027 -10.685 -0.472 1.00 3.30 H new ATOM 0 HB3 ALA A 73 -5.642 -10.167 -1.013 1.00 3.30 H new ATOM 1207 N LYS A 74 -7.050 -8.071 0.324 1.00 11.30 N ATOM 1208 CA LYS A 74 -8.073 -7.018 0.196 1.00 12.44 C ATOM 1209 C LYS A 74 -7.954 -6.014 1.357 1.00 75.14 C ATOM 1210 O LYS A 74 -7.899 -4.800 1.142 1.00 3.22 O ATOM 1211 CB LYS A 74 -9.483 -7.661 0.199 1.00 71.32 C ATOM 1212 CG LYS A 74 -10.654 -6.651 0.223 1.00 62.00 C ATOM 1213 CD LYS A 74 -12.016 -7.334 0.444 1.00 10.21 C ATOM 1214 CE LYS A 74 -13.177 -6.332 0.558 1.00 12.51 C ATOM 1215 NZ LYS A 74 -13.333 -5.515 -0.671 1.00 21.21 N ATOM 0 H LYS A 74 -7.439 -9.014 0.338 1.00 11.30 H new ATOM 0 HA LYS A 74 -7.919 -6.486 -0.743 1.00 12.44 H new ATOM 0 HB2 LYS A 74 -9.582 -8.291 -0.685 1.00 71.32 H new ATOM 0 HB3 LYS A 74 -9.567 -8.315 1.067 1.00 71.32 H new ATOM 0 HG2 LYS A 74 -10.484 -5.921 1.015 1.00 62.00 H new ATOM 0 HG3 LYS A 74 -10.675 -6.101 -0.718 1.00 62.00 H new ATOM 0 HD2 LYS A 74 -12.212 -8.017 -0.382 1.00 10.21 H new ATOM 0 HD3 LYS A 74 -11.972 -7.936 1.352 1.00 10.21 H new ATOM 0 HE2 LYS A 74 -14.103 -6.872 0.754 1.00 12.51 H new ATOM 0 HE3 LYS A 74 -13.005 -5.675 1.410 1.00 12.51 H new ATOM 0 HZ1 LYS A 74 -14.177 -4.914 -0.583 1.00 21.21 H new ATOM 0 HZ2 LYS A 74 -12.493 -4.915 -0.798 1.00 21.21 H new ATOM 0 HZ3 LYS A 74 -13.438 -6.142 -1.494 1.00 21.21 H new ATOM 1229 N LYS A 75 -7.895 -6.567 2.585 1.00 34.20 N ATOM 1230 CA LYS A 75 -7.771 -5.786 3.822 1.00 72.53 C ATOM 1231 C LYS A 75 -6.424 -5.040 3.870 1.00 63.24 C ATOM 1232 O LYS A 75 -6.387 -3.859 4.188 1.00 33.12 O ATOM 1233 CB LYS A 75 -7.913 -6.708 5.062 1.00 11.01 C ATOM 1234 CG LYS A 75 -9.271 -7.440 5.164 1.00 23.13 C ATOM 1235 CD LYS A 75 -9.409 -8.259 6.470 1.00 71.14 C ATOM 1236 CE LYS A 75 -10.792 -8.906 6.634 1.00 55.11 C ATOM 1237 NZ LYS A 75 -10.946 -9.547 7.968 1.00 34.15 N ATOM 0 H LYS A 75 -7.933 -7.574 2.742 1.00 34.20 H new ATOM 0 HA LYS A 75 -8.573 -5.048 3.836 1.00 72.53 H new ATOM 0 HB2 LYS A 75 -7.115 -7.450 5.040 1.00 11.01 H new ATOM 0 HB3 LYS A 75 -7.768 -6.110 5.962 1.00 11.01 H new ATOM 0 HG2 LYS A 75 -10.078 -6.709 5.111 1.00 23.13 H new ATOM 0 HG3 LYS A 75 -9.386 -8.105 4.308 1.00 23.13 H new ATOM 0 HD2 LYS A 75 -8.646 -9.038 6.485 1.00 71.14 H new ATOM 0 HD3 LYS A 75 -9.216 -7.607 7.322 1.00 71.14 H new ATOM 0 HE2 LYS A 75 -11.565 -8.149 6.503 1.00 55.11 H new ATOM 0 HE3 LYS A 75 -10.940 -9.652 5.853 1.00 55.11 H new ATOM 0 HZ1 LYS A 75 -11.892 -9.973 8.041 1.00 34.15 H new ATOM 0 HZ2 LYS A 75 -10.224 -10.286 8.083 1.00 34.15 H new ATOM 0 HZ3 LYS A 75 -10.830 -8.831 8.713 1.00 34.15 H new ATOM 1251 N TRP A 76 -5.346 -5.751 3.482 1.00 2.30 N ATOM 1252 CA TRP A 76 -3.954 -5.281 3.620 1.00 4.14 C ATOM 1253 C TRP A 76 -3.713 -4.027 2.776 1.00 13.23 C ATOM 1254 O TRP A 76 -3.196 -3.039 3.280 1.00 23.52 O ATOM 1255 CB TRP A 76 -2.971 -6.412 3.210 1.00 34.23 C ATOM 1256 CG TRP A 76 -1.507 -6.071 3.386 1.00 41.44 C ATOM 1257 CD1 TRP A 76 -0.793 -6.103 4.552 1.00 24.13 C ATOM 1258 CD2 TRP A 76 -0.584 -5.645 2.366 1.00 42.21 C ATOM 1259 NE1 TRP A 76 0.501 -5.724 4.319 1.00 24.41 N ATOM 1260 CE2 TRP A 76 0.655 -5.436 2.994 1.00 43.21 C ATOM 1261 CE3 TRP A 76 -0.691 -5.420 0.987 1.00 21.04 C ATOM 1262 CZ2 TRP A 76 1.780 -5.017 2.299 1.00 12.11 C ATOM 1263 CZ3 TRP A 76 0.430 -5.000 0.293 1.00 5.21 C ATOM 1264 CH2 TRP A 76 1.653 -4.801 0.951 1.00 13.14 C ATOM 0 H TRP A 76 -5.419 -6.677 3.060 1.00 2.30 H new ATOM 0 HA TRP A 76 -3.778 -5.020 4.664 1.00 4.14 H new ATOM 0 HB2 TRP A 76 -3.196 -7.302 3.798 1.00 34.23 H new ATOM 0 HB3 TRP A 76 -3.148 -6.667 2.165 1.00 34.23 H new ATOM 0 HD1 TRP A 76 -1.192 -6.386 5.515 1.00 24.13 H new ATOM 0 HE1 TRP A 76 1.235 -5.666 5.025 1.00 24.41 H new ATOM 0 HE3 TRP A 76 -1.630 -5.571 0.476 1.00 21.04 H new ATOM 0 HZ2 TRP A 76 2.724 -4.866 2.802 1.00 12.11 H new ATOM 0 HZ3 TRP A 76 0.363 -4.823 -0.770 1.00 5.21 H new ATOM 0 HH2 TRP A 76 2.511 -4.471 0.385 1.00 13.14 H new ATOM 1275 N ALA A 77 -4.119 -4.093 1.498 1.00 52.11 N ATOM 1276 CA ALA A 77 -3.963 -2.991 0.534 1.00 71.41 C ATOM 1277 C ALA A 77 -4.699 -1.710 0.996 1.00 41.12 C ATOM 1278 O ALA A 77 -4.259 -0.589 0.706 1.00 42.43 O ATOM 1279 CB ALA A 77 -4.461 -3.446 -0.841 1.00 23.14 C ATOM 0 H ALA A 77 -4.568 -4.918 1.101 1.00 52.11 H new ATOM 0 HA ALA A 77 -2.905 -2.737 0.469 1.00 71.41 H new ATOM 0 HB1 ALA A 77 -4.347 -2.632 -1.557 1.00 23.14 H new ATOM 0 HB2 ALA A 77 -3.879 -4.306 -1.173 1.00 23.14 H new ATOM 0 HB3 ALA A 77 -5.513 -3.725 -0.773 1.00 23.14 H new ATOM 1285 N LEU A 78 -5.820 -1.905 1.723 1.00 54.34 N ATOM 1286 CA LEU A 78 -6.592 -0.812 2.335 1.00 31.32 C ATOM 1287 C LEU A 78 -5.871 -0.271 3.574 1.00 31.12 C ATOM 1288 O LEU A 78 -5.770 0.930 3.742 1.00 2.22 O ATOM 1289 CB LEU A 78 -8.016 -1.290 2.726 1.00 34.14 C ATOM 1290 CG LEU A 78 -8.955 -1.692 1.549 1.00 2.23 C ATOM 1291 CD1 LEU A 78 -10.315 -2.202 2.071 1.00 64.11 C ATOM 1292 CD2 LEU A 78 -9.140 -0.516 0.571 1.00 21.21 C ATOM 0 H LEU A 78 -6.213 -2.829 1.900 1.00 54.34 H new ATOM 0 HA LEU A 78 -6.681 -0.014 1.598 1.00 31.32 H new ATOM 0 HB2 LEU A 78 -7.919 -2.146 3.394 1.00 34.14 H new ATOM 0 HB3 LEU A 78 -8.500 -0.496 3.294 1.00 34.14 H new ATOM 0 HG LEU A 78 -8.483 -2.510 1.006 1.00 2.23 H new ATOM 0 HD11 LEU A 78 -10.949 -2.475 1.228 1.00 64.11 H new ATOM 0 HD12 LEU A 78 -10.157 -3.075 2.704 1.00 64.11 H new ATOM 0 HD13 LEU A 78 -10.800 -1.416 2.650 1.00 64.11 H new ATOM 0 HD21 LEU A 78 -9.799 -0.819 -0.242 1.00 21.21 H new ATOM 0 HD22 LEU A 78 -9.581 0.330 1.098 1.00 21.21 H new ATOM 0 HD23 LEU A 78 -8.171 -0.225 0.164 1.00 21.21 H new ATOM 1304 N GLU A 79 -5.369 -1.177 4.429 1.00 15.32 N ATOM 1305 CA GLU A 79 -4.738 -0.814 5.713 1.00 4.10 C ATOM 1306 C GLU A 79 -3.381 -0.104 5.507 1.00 42.34 C ATOM 1307 O GLU A 79 -2.982 0.695 6.348 1.00 24.43 O ATOM 1308 CB GLU A 79 -4.593 -2.065 6.625 1.00 53.42 C ATOM 1309 CG GLU A 79 -5.923 -2.702 7.088 1.00 31.20 C ATOM 1310 CD GLU A 79 -6.756 -1.794 8.013 1.00 12.41 C ATOM 1311 OE1 GLU A 79 -7.580 -0.995 7.508 1.00 51.03 O ATOM 1312 OE2 GLU A 79 -6.588 -1.872 9.251 1.00 24.03 O ATOM 0 H GLU A 79 -5.388 -2.181 4.252 1.00 15.32 H new ATOM 0 HA GLU A 79 -5.393 -0.102 6.215 1.00 4.10 H new ATOM 0 HB2 GLU A 79 -4.015 -2.819 6.091 1.00 53.42 H new ATOM 0 HB3 GLU A 79 -4.016 -1.787 7.507 1.00 53.42 H new ATOM 0 HG2 GLU A 79 -6.518 -2.956 6.211 1.00 31.20 H new ATOM 0 HG3 GLU A 79 -5.707 -3.635 7.608 1.00 31.20 H new ATOM 1319 N VAL A 80 -2.685 -0.416 4.391 1.00 74.41 N ATOM 1320 CA VAL A 80 -1.468 0.310 3.952 1.00 43.11 C ATOM 1321 C VAL A 80 -1.843 1.759 3.579 1.00 32.53 C ATOM 1322 O VAL A 80 -1.198 2.721 4.022 1.00 24.12 O ATOM 1323 CB VAL A 80 -0.794 -0.402 2.708 1.00 55.14 C ATOM 1324 CG1 VAL A 80 0.361 0.433 2.099 1.00 4.24 C ATOM 1325 CG2 VAL A 80 -0.291 -1.816 3.069 1.00 53.30 C ATOM 0 H VAL A 80 -2.950 -1.179 3.768 1.00 74.41 H new ATOM 0 HA VAL A 80 -0.751 0.309 4.773 1.00 43.11 H new ATOM 0 HB VAL A 80 -1.574 -0.489 1.951 1.00 55.14 H new ATOM 0 HG11 VAL A 80 0.788 -0.101 1.250 1.00 4.24 H new ATOM 0 HG12 VAL A 80 -0.023 1.397 1.765 1.00 4.24 H new ATOM 0 HG13 VAL A 80 1.132 0.591 2.853 1.00 4.24 H new ATOM 0 HG21 VAL A 80 0.166 -2.275 2.192 1.00 53.30 H new ATOM 0 HG22 VAL A 80 0.447 -1.747 3.868 1.00 53.30 H new ATOM 0 HG23 VAL A 80 -1.130 -2.427 3.402 1.00 53.30 H new ATOM 1335 N ALA A 81 -2.919 1.875 2.783 1.00 74.13 N ATOM 1336 CA ALA A 81 -3.464 3.159 2.326 1.00 4.42 C ATOM 1337 C ALA A 81 -3.944 4.014 3.512 1.00 1.21 C ATOM 1338 O ALA A 81 -3.686 5.216 3.558 1.00 11.25 O ATOM 1339 CB ALA A 81 -4.612 2.902 1.348 1.00 64.52 C ATOM 0 H ALA A 81 -3.439 1.069 2.436 1.00 74.13 H new ATOM 0 HA ALA A 81 -2.675 3.715 1.820 1.00 4.42 H new ATOM 0 HB1 ALA A 81 -5.019 3.854 1.007 1.00 64.52 H new ATOM 0 HB2 ALA A 81 -4.241 2.338 0.492 1.00 64.52 H new ATOM 0 HB3 ALA A 81 -5.395 2.331 1.848 1.00 64.52 H new ATOM 1345 N ASN A 82 -4.601 3.348 4.482 1.00 65.53 N ATOM 1346 CA ASN A 82 -5.133 3.981 5.697 1.00 5.41 C ATOM 1347 C ASN A 82 -4.007 4.339 6.666 1.00 72.42 C ATOM 1348 O ASN A 82 -4.169 5.253 7.465 1.00 52.04 O ATOM 1349 CB ASN A 82 -6.173 3.070 6.428 1.00 13.44 C ATOM 1350 CG ASN A 82 -7.579 3.105 5.812 1.00 64.23 C ATOM 1351 OD1 ASN A 82 -8.346 4.039 6.054 1.00 62.21 O ATOM 1352 ND2 ASN A 82 -7.959 2.071 5.078 1.00 14.45 N ATOM 0 H ASN A 82 -4.777 2.344 4.440 1.00 65.53 H new ATOM 0 HA ASN A 82 -5.640 4.891 5.376 1.00 5.41 H new ATOM 0 HB2 ASN A 82 -5.810 2.042 6.419 1.00 13.44 H new ATOM 0 HB3 ASN A 82 -6.238 3.376 7.472 1.00 13.44 H new ATOM 0 HD21 ASN A 82 -8.905 2.035 4.699 1.00 14.45 H new ATOM 0 HD22 ASN A 82 -7.306 1.310 4.892 1.00 14.45 H new ATOM 1359 N LYS A 83 -2.883 3.588 6.612 1.00 55.12 N ATOM 1360 CA LYS A 83 -1.733 3.818 7.505 1.00 72.54 C ATOM 1361 C LYS A 83 -1.087 5.180 7.149 1.00 42.20 C ATOM 1362 O LYS A 83 -0.975 6.051 8.010 1.00 55.03 O ATOM 1363 CB LYS A 83 -0.708 2.628 7.396 1.00 53.13 C ATOM 1364 CG LYS A 83 0.137 2.335 8.672 1.00 64.12 C ATOM 1365 CD LYS A 83 1.054 3.504 9.081 1.00 15.02 C ATOM 1366 CE LYS A 83 1.889 3.237 10.332 1.00 73.11 C ATOM 1367 NZ LYS A 83 2.691 4.434 10.692 1.00 54.41 N ATOM 0 H LYS A 83 -2.752 2.817 5.957 1.00 55.12 H new ATOM 0 HA LYS A 83 -2.063 3.855 8.543 1.00 72.54 H new ATOM 0 HB2 LYS A 83 -1.258 1.724 7.133 1.00 53.13 H new ATOM 0 HB3 LYS A 83 -0.025 2.837 6.572 1.00 53.13 H new ATOM 0 HG2 LYS A 83 -0.535 2.104 9.498 1.00 64.12 H new ATOM 0 HG3 LYS A 83 0.747 1.448 8.499 1.00 64.12 H new ATOM 0 HD2 LYS A 83 1.724 3.732 8.252 1.00 15.02 H new ATOM 0 HD3 LYS A 83 0.442 4.390 9.249 1.00 15.02 H new ATOM 0 HE2 LYS A 83 1.235 2.968 11.161 1.00 73.11 H new ATOM 0 HE3 LYS A 83 2.551 2.388 10.160 1.00 73.11 H new ATOM 0 HZ1 LYS A 83 3.675 4.151 10.874 1.00 54.41 H new ATOM 0 HZ2 LYS A 83 2.666 5.117 9.908 1.00 54.41 H new ATOM 0 HZ3 LYS A 83 2.294 4.874 11.547 1.00 54.41 H new ATOM 1381 N ILE A 84 -0.753 5.374 5.855 1.00 11.31 N ATOM 1382 CA ILE A 84 -0.162 6.643 5.355 1.00 23.13 C ATOM 1383 C ILE A 84 -1.172 7.799 5.551 1.00 14.03 C ATOM 1384 O ILE A 84 -0.816 8.897 5.988 1.00 44.32 O ATOM 1385 CB ILE A 84 0.240 6.541 3.830 1.00 51.24 C ATOM 1386 CG1 ILE A 84 1.102 5.267 3.554 1.00 73.11 C ATOM 1387 CG2 ILE A 84 1.000 7.813 3.362 1.00 20.00 C ATOM 1388 CD1 ILE A 84 1.270 4.915 2.081 1.00 2.11 C ATOM 0 H ILE A 84 -0.882 4.667 5.131 1.00 11.31 H new ATOM 0 HA ILE A 84 0.745 6.838 5.927 1.00 23.13 H new ATOM 0 HB ILE A 84 -0.684 6.461 3.257 1.00 51.24 H new ATOM 0 HG12 ILE A 84 2.089 5.411 3.993 1.00 73.11 H new ATOM 0 HG13 ILE A 84 0.646 4.419 4.066 1.00 73.11 H new ATOM 0 HG21 ILE A 84 1.263 7.713 2.309 1.00 20.00 H new ATOM 0 HG22 ILE A 84 0.363 8.687 3.495 1.00 20.00 H new ATOM 0 HG23 ILE A 84 1.908 7.932 3.953 1.00 20.00 H new ATOM 0 HD11 ILE A 84 1.882 4.018 1.989 1.00 2.11 H new ATOM 0 HD12 ILE A 84 0.291 4.734 1.636 1.00 2.11 H new ATOM 0 HD13 ILE A 84 1.757 5.741 1.563 1.00 2.11 H new ATOM 1400 N ALA A 85 -2.451 7.492 5.268 1.00 1.25 N ATOM 1401 CA ALA A 85 -3.579 8.417 5.455 1.00 32.41 C ATOM 1402 C ALA A 85 -3.790 8.787 6.947 1.00 74.21 C ATOM 1403 O ALA A 85 -4.332 9.851 7.245 1.00 41.44 O ATOM 1404 CB ALA A 85 -4.854 7.819 4.841 1.00 3.44 C ATOM 0 H ALA A 85 -2.731 6.583 4.899 1.00 1.25 H new ATOM 0 HA ALA A 85 -3.342 9.346 4.937 1.00 32.41 H new ATOM 0 HB1 ALA A 85 -5.685 8.510 4.983 1.00 3.44 H new ATOM 0 HB2 ALA A 85 -4.700 7.651 3.775 1.00 3.44 H new ATOM 0 HB3 ALA A 85 -5.083 6.871 5.328 1.00 3.44 H new ATOM 1410 N ASN A 86 -3.392 7.884 7.865 1.00 60.22 N ATOM 1411 CA ASN A 86 -3.538 8.088 9.328 1.00 61.11 C ATOM 1412 C ASN A 86 -2.586 9.195 9.823 1.00 72.03 C ATOM 1413 O ASN A 86 -2.984 10.036 10.638 1.00 2.33 O ATOM 1414 CB ASN A 86 -3.283 6.761 10.095 1.00 33.14 C ATOM 1415 CG ASN A 86 -3.632 6.826 11.590 1.00 31.10 C ATOM 1416 OD1 ASN A 86 -2.788 7.137 12.433 1.00 33.41 O ATOM 1417 ND2 ASN A 86 -4.876 6.530 11.937 1.00 33.53 N ATOM 0 H ASN A 86 -2.961 6.993 7.618 1.00 60.22 H new ATOM 0 HA ASN A 86 -4.561 8.406 9.527 1.00 61.11 H new ATOM 0 HB2 ASN A 86 -3.867 5.967 9.630 1.00 33.14 H new ATOM 0 HB3 ASN A 86 -2.233 6.488 9.989 1.00 33.14 H new ATOM 0 HD21 ASN A 86 -5.152 6.557 12.919 1.00 33.53 H new ATOM 0 HD22 ASN A 86 -5.558 6.275 11.222 1.00 33.53 H new ATOM 1424 N GLU A 87 -1.329 9.186 9.324 1.00 71.20 N ATOM 1425 CA GLU A 87 -0.336 10.235 9.650 1.00 1.42 C ATOM 1426 C GLU A 87 -0.716 11.578 8.991 1.00 35.21 C ATOM 1427 O GLU A 87 -0.760 12.617 9.653 1.00 2.40 O ATOM 1428 CB GLU A 87 1.105 9.840 9.195 1.00 43.22 C ATOM 1429 CG GLU A 87 1.823 8.768 10.043 1.00 11.22 C ATOM 1430 CD GLU A 87 1.302 7.344 9.832 1.00 54.25 C ATOM 1431 OE1 GLU A 87 1.651 6.742 8.799 1.00 24.54 O ATOM 1432 OE2 GLU A 87 0.577 6.812 10.704 1.00 63.44 O ATOM 0 H GLU A 87 -0.978 8.464 8.694 1.00 71.20 H new ATOM 0 HA GLU A 87 -0.343 10.340 10.735 1.00 1.42 H new ATOM 0 HB2 GLU A 87 1.053 9.483 8.166 1.00 43.22 H new ATOM 0 HB3 GLU A 87 1.720 10.740 9.189 1.00 43.22 H new ATOM 0 HG2 GLU A 87 2.888 8.791 9.811 1.00 11.22 H new ATOM 0 HG3 GLU A 87 1.721 9.027 11.097 1.00 11.22 H new ATOM 1439 N LEU A 88 -0.986 11.531 7.675 1.00 45.34 N ATOM 1440 CA LEU A 88 -1.133 12.742 6.834 1.00 45.43 C ATOM 1441 C LEU A 88 -2.523 13.396 6.942 1.00 11.52 C ATOM 1442 O LEU A 88 -2.634 14.625 6.851 1.00 73.34 O ATOM 1443 CB LEU A 88 -0.780 12.424 5.349 1.00 1.30 C ATOM 1444 CG LEU A 88 0.750 12.339 5.007 1.00 44.33 C ATOM 1445 CD1 LEU A 88 1.512 13.600 5.483 1.00 13.35 C ATOM 1446 CD2 LEU A 88 1.415 11.049 5.538 1.00 12.23 C ATOM 0 H LEU A 88 -1.109 10.658 7.162 1.00 45.34 H new ATOM 0 HA LEU A 88 -0.424 13.475 7.220 1.00 45.43 H new ATOM 0 HB2 LEU A 88 -1.245 11.475 5.081 1.00 1.30 H new ATOM 0 HB3 LEU A 88 -1.231 13.189 4.717 1.00 1.30 H new ATOM 0 HG LEU A 88 0.815 12.297 3.920 1.00 44.33 H new ATOM 0 HD11 LEU A 88 2.568 13.505 5.229 1.00 13.35 H new ATOM 0 HD12 LEU A 88 1.099 14.481 4.993 1.00 13.35 H new ATOM 0 HD13 LEU A 88 1.407 13.703 6.563 1.00 13.35 H new ATOM 0 HD21 LEU A 88 2.472 11.048 5.271 1.00 12.23 H new ATOM 0 HD22 LEU A 88 1.315 11.008 6.623 1.00 12.23 H new ATOM 0 HD23 LEU A 88 0.928 10.180 5.096 1.00 12.23 H new ATOM 1458 N GLY A 89 -3.559 12.573 7.126 1.00 45.22 N ATOM 1459 CA GLY A 89 -4.943 13.056 7.204 1.00 21.12 C ATOM 1460 C GLY A 89 -5.425 13.700 5.911 1.00 54.31 C ATOM 1461 O GLY A 89 -5.962 14.816 5.919 1.00 24.33 O ATOM 0 H GLY A 89 -3.465 11.562 7.224 1.00 45.22 H new ATOM 0 HA2 GLY A 89 -5.599 12.222 7.454 1.00 21.12 H new ATOM 0 HA3 GLY A 89 -5.024 13.779 8.015 1.00 21.12 H new ATOM 1465 N ALA A 90 -5.209 12.993 4.795 1.00 73.42 N ATOM 1466 CA ALA A 90 -5.624 13.446 3.464 1.00 24.35 C ATOM 1467 C ALA A 90 -7.106 13.095 3.227 1.00 11.24 C ATOM 1468 O ALA A 90 -7.983 13.950 3.397 1.00 40.23 O ATOM 1469 CB ALA A 90 -4.713 12.832 2.395 1.00 25.32 C ATOM 0 H ALA A 90 -4.740 12.087 4.791 1.00 73.42 H new ATOM 0 HA ALA A 90 -5.527 14.530 3.398 1.00 24.35 H new ATOM 0 HB1 ALA A 90 -5.028 13.173 1.409 1.00 25.32 H new ATOM 0 HB2 ALA A 90 -3.683 13.140 2.574 1.00 25.32 H new ATOM 0 HB3 ALA A 90 -4.780 11.745 2.441 1.00 25.32 H new ATOM 1475 N LYS A 91 -7.377 11.815 2.899 1.00 3.42 N ATOM 1476 CA LYS A 91 -8.733 11.332 2.596 1.00 33.54 C ATOM 1477 C LYS A 91 -8.772 9.789 2.655 1.00 71.22 C ATOM 1478 O LYS A 91 -8.987 9.213 3.735 1.00 71.52 O ATOM 1479 CB LYS A 91 -9.225 11.851 1.204 1.00 70.42 C ATOM 1480 CG LYS A 91 -10.700 11.485 0.851 1.00 74.41 C ATOM 1481 CD LYS A 91 -10.895 11.144 -0.644 1.00 20.52 C ATOM 1482 CE LYS A 91 -10.474 12.274 -1.596 1.00 20.44 C ATOM 1483 NZ LYS A 91 -10.626 11.877 -3.025 1.00 15.14 N ATOM 0 H LYS A 91 -6.661 11.091 2.838 1.00 3.42 H new ATOM 0 HA LYS A 91 -9.413 11.728 3.350 1.00 33.54 H new ATOM 0 HB2 LYS A 91 -9.119 12.936 1.179 1.00 70.42 H new ATOM 0 HB3 LYS A 91 -8.571 11.449 0.430 1.00 70.42 H new ATOM 0 HG2 LYS A 91 -11.012 10.634 1.456 1.00 74.41 H new ATOM 0 HG3 LYS A 91 -11.349 12.320 1.116 1.00 74.41 H new ATOM 0 HD2 LYS A 91 -10.321 10.248 -0.881 1.00 20.52 H new ATOM 0 HD3 LYS A 91 -11.944 10.905 -0.819 1.00 20.52 H new ATOM 0 HE2 LYS A 91 -11.077 13.160 -1.398 1.00 20.44 H new ATOM 0 HE3 LYS A 91 -9.436 12.545 -1.402 1.00 20.44 H new ATOM 0 HZ1 LYS A 91 -9.940 12.400 -3.606 1.00 15.14 H new ATOM 0 HZ2 LYS A 91 -10.454 10.856 -3.122 1.00 15.14 H new ATOM 0 HZ3 LYS A 91 -11.590 12.098 -3.346 1.00 15.14 H new ATOM 1497 N GLN A 92 -8.507 9.132 1.500 1.00 11.40 N ATOM 1498 CA GLN A 92 -8.679 7.678 1.339 1.00 12.35 C ATOM 1499 C GLN A 92 -8.154 7.241 -0.052 1.00 45.53 C ATOM 1500 O GLN A 92 -7.717 8.075 -0.855 1.00 0.34 O ATOM 1501 CB GLN A 92 -10.191 7.272 1.540 1.00 24.25 C ATOM 1502 CG GLN A 92 -10.421 5.803 1.960 1.00 21.54 C ATOM 1503 CD GLN A 92 -9.708 5.445 3.269 1.00 1.44 C ATOM 1504 OE1 GLN A 92 -8.453 5.030 3.175 1.00 21.33 O flip ATOM 1505 NE2 GLN A 92 -10.269 5.563 4.358 1.00 60.31 N flip ATOM 0 H GLN A 92 -8.169 9.599 0.659 1.00 11.40 H new ATOM 0 HA GLN A 92 -8.099 7.160 2.103 1.00 12.35 H new ATOM 0 HB2 GLN A 92 -10.629 7.923 2.296 1.00 24.25 H new ATOM 0 HB3 GLN A 92 -10.728 7.457 0.610 1.00 24.25 H new ATOM 0 HG2 GLN A 92 -11.490 5.624 2.073 1.00 21.54 H new ATOM 0 HG3 GLN A 92 -10.069 5.143 1.167 1.00 21.54 H new ATOM 0 HE21 GLN A 92 -11.236 5.885 4.401 1.00 60.31 H new ATOM 0 HE22 GLN A 92 -9.767 5.339 5.217 1.00 60.31 H new ATOM 1514 N SER A 93 -8.192 5.930 -0.314 1.00 64.24 N ATOM 1515 CA SER A 93 -7.710 5.329 -1.559 1.00 24.40 C ATOM 1516 C SER A 93 -8.876 4.918 -2.473 1.00 53.45 C ATOM 1517 O SER A 93 -9.919 4.458 -1.991 1.00 52.44 O ATOM 1518 CB SER A 93 -6.870 4.099 -1.194 1.00 10.12 C ATOM 1519 OG SER A 93 -7.600 3.203 -0.360 1.00 71.03 O ATOM 0 H SER A 93 -8.565 5.247 0.345 1.00 64.24 H new ATOM 0 HA SER A 93 -7.112 6.058 -2.106 1.00 24.40 H new ATOM 0 HB2 SER A 93 -6.562 3.583 -2.104 1.00 10.12 H new ATOM 0 HB3 SER A 93 -5.961 4.415 -0.683 1.00 10.12 H new ATOM 0 HG SER A 93 -7.041 2.428 -0.145 1.00 71.03 H new ATOM 1525 N THR A 94 -8.677 5.074 -3.787 1.00 74.11 N ATOM 1526 CA THR A 94 -9.614 4.607 -4.816 1.00 35.55 C ATOM 1527 C THR A 94 -9.165 3.211 -5.294 1.00 71.50 C ATOM 1528 O THR A 94 -8.051 3.053 -5.805 1.00 70.42 O ATOM 1529 CB THR A 94 -9.649 5.609 -6.017 1.00 60.02 C ATOM 1530 OG1 THR A 94 -9.986 6.920 -5.536 1.00 73.13 O ATOM 1531 CG2 THR A 94 -10.654 5.196 -7.109 1.00 44.53 C ATOM 0 H THR A 94 -7.851 5.534 -4.170 1.00 74.11 H new ATOM 0 HA THR A 94 -10.619 4.548 -4.399 1.00 35.55 H new ATOM 0 HB THR A 94 -8.657 5.604 -6.469 1.00 60.02 H new ATOM 0 HG1 THR A 94 -10.006 7.549 -6.287 1.00 73.13 H new ATOM 0 HG21 THR A 94 -10.635 5.928 -7.917 1.00 44.53 H new ATOM 0 HG22 THR A 94 -10.383 4.216 -7.501 1.00 44.53 H new ATOM 0 HG23 THR A 94 -11.656 5.152 -6.683 1.00 44.53 H new ATOM 1539 N THR A 95 -10.027 2.201 -5.107 1.00 50.24 N ATOM 1540 CA THR A 95 -9.694 0.795 -5.386 1.00 73.51 C ATOM 1541 C THR A 95 -10.340 0.316 -6.692 1.00 72.11 C ATOM 1542 O THR A 95 -11.425 0.766 -7.078 1.00 55.12 O ATOM 1543 CB THR A 95 -10.156 -0.131 -4.217 1.00 1.35 C ATOM 1544 OG1 THR A 95 -11.565 0.047 -3.973 1.00 20.44 O ATOM 1545 CG2 THR A 95 -9.380 0.153 -2.925 1.00 44.20 C ATOM 0 H THR A 95 -10.976 2.335 -4.758 1.00 50.24 H new ATOM 0 HA THR A 95 -8.610 0.738 -5.486 1.00 73.51 H new ATOM 0 HB THR A 95 -9.955 -1.160 -4.517 1.00 1.35 H new ATOM 0 HG1 THR A 95 -11.847 -0.539 -3.240 1.00 20.44 H new ATOM 0 HG21 THR A 95 -9.731 -0.512 -2.136 1.00 44.20 H new ATOM 0 HG22 THR A 95 -8.317 -0.015 -3.095 1.00 44.20 H new ATOM 0 HG23 THR A 95 -9.540 1.189 -2.625 1.00 44.20 H new ATOM 1553 N THR A 96 -9.642 -0.604 -7.356 1.00 74.31 N ATOM 1554 CA THR A 96 -10.112 -1.313 -8.538 1.00 24.22 C ATOM 1555 C THR A 96 -10.042 -2.817 -8.247 1.00 60.02 C ATOM 1556 O THR A 96 -8.949 -3.390 -8.089 1.00 51.05 O ATOM 1557 CB THR A 96 -9.251 -0.942 -9.788 1.00 52.31 C ATOM 1558 OG1 THR A 96 -9.394 0.462 -10.052 1.00 74.03 O ATOM 1559 CG2 THR A 96 -9.640 -1.737 -11.053 1.00 71.33 C ATOM 0 H THR A 96 -8.702 -0.883 -7.074 1.00 74.31 H new ATOM 0 HA THR A 96 -11.139 -1.026 -8.763 1.00 24.22 H new ATOM 0 HB THR A 96 -8.218 -1.200 -9.555 1.00 52.31 H new ATOM 0 HG1 THR A 96 -8.856 0.704 -10.834 1.00 74.03 H new ATOM 0 HG21 THR A 96 -9.004 -1.432 -11.884 1.00 71.33 H new ATOM 0 HG22 THR A 96 -9.508 -2.803 -10.868 1.00 71.33 H new ATOM 0 HG23 THR A 96 -10.683 -1.538 -11.301 1.00 71.33 H new ATOM 1567 N THR A 97 -11.220 -3.436 -8.133 1.00 62.31 N ATOM 1568 CA THR A 97 -11.358 -4.868 -7.884 1.00 41.45 C ATOM 1569 C THR A 97 -11.671 -5.592 -9.201 1.00 44.13 C ATOM 1570 O THR A 97 -12.291 -5.026 -10.116 1.00 73.31 O ATOM 1571 CB THR A 97 -12.459 -5.162 -6.803 1.00 3.52 C ATOM 1572 OG1 THR A 97 -12.501 -6.570 -6.508 1.00 35.35 O ATOM 1573 CG2 THR A 97 -13.862 -4.681 -7.220 1.00 34.31 C ATOM 0 H THR A 97 -12.113 -2.949 -8.212 1.00 62.31 H new ATOM 0 HA THR A 97 -10.414 -5.243 -7.488 1.00 41.45 H new ATOM 0 HB THR A 97 -12.177 -4.597 -5.914 1.00 3.52 H new ATOM 0 HG1 THR A 97 -13.189 -6.742 -5.832 1.00 35.35 H new ATOM 0 HG21 THR A 97 -14.576 -4.914 -6.430 1.00 34.31 H new ATOM 0 HG22 THR A 97 -13.843 -3.604 -7.386 1.00 34.31 H new ATOM 0 HG23 THR A 97 -14.161 -5.184 -8.139 1.00 34.31 H new ATOM 1581 N ASP A 98 -11.196 -6.829 -9.289 1.00 64.05 N ATOM 1582 CA ASP A 98 -11.455 -7.743 -10.418 1.00 22.33 C ATOM 1583 C ASP A 98 -11.209 -9.173 -9.926 1.00 55.32 C ATOM 1584 O ASP A 98 -10.675 -9.352 -8.815 1.00 22.04 O ATOM 1585 CB ASP A 98 -10.544 -7.398 -11.639 1.00 10.14 C ATOM 1586 CG ASP A 98 -10.942 -8.153 -12.930 1.00 44.31 C ATOM 1587 OD1 ASP A 98 -11.905 -7.722 -13.602 1.00 63.43 O ATOM 1588 OD2 ASP A 98 -10.311 -9.184 -13.269 1.00 22.31 O ATOM 0 H ASP A 98 -10.606 -7.243 -8.567 1.00 64.05 H new ATOM 0 HA ASP A 98 -12.485 -7.639 -10.759 1.00 22.33 H new ATOM 0 HB2 ASP A 98 -10.588 -6.325 -11.825 1.00 10.14 H new ATOM 0 HB3 ASP A 98 -9.510 -7.636 -11.391 1.00 10.14 H new ATOM 1593 N GLY A 99 -11.633 -10.183 -10.717 1.00 10.35 N ATOM 1594 CA GLY A 99 -11.330 -11.588 -10.430 1.00 11.43 C ATOM 1595 C GLY A 99 -9.836 -11.816 -10.258 1.00 61.41 C ATOM 1596 O GLY A 99 -9.361 -12.102 -9.151 1.00 64.31 O ATOM 0 H GLY A 99 -12.188 -10.042 -11.561 1.00 10.35 H new ATOM 0 HA2 GLY A 99 -11.852 -11.895 -9.524 1.00 11.43 H new ATOM 0 HA3 GLY A 99 -11.703 -12.214 -11.241 1.00 11.43 H new ATOM 1600 N ASP A 100 -9.094 -11.612 -11.349 1.00 3.53 N ATOM 1601 CA ASP A 100 -7.622 -11.645 -11.348 1.00 30.10 C ATOM 1602 C ASP A 100 -7.090 -10.214 -11.111 1.00 63.43 C ATOM 1603 O ASP A 100 -7.720 -9.253 -11.557 1.00 62.01 O ATOM 1604 CB ASP A 100 -7.104 -12.227 -12.689 1.00 41.14 C ATOM 1605 CG ASP A 100 -5.576 -12.440 -12.720 1.00 21.43 C ATOM 1606 OD1 ASP A 100 -5.096 -13.485 -12.225 1.00 60.33 O ATOM 1607 OD2 ASP A 100 -4.852 -11.561 -13.225 1.00 24.01 O ATOM 0 H ASP A 100 -9.496 -11.418 -12.266 1.00 3.53 H new ATOM 0 HA ASP A 100 -7.260 -12.290 -10.547 1.00 30.10 H new ATOM 0 HB2 ASP A 100 -7.599 -13.180 -12.878 1.00 41.14 H new ATOM 0 HB3 ASP A 100 -7.385 -11.555 -13.500 1.00 41.14 H new ATOM 1612 N THR A 101 -5.958 -10.095 -10.374 1.00 61.22 N ATOM 1613 CA THR A 101 -5.282 -8.801 -10.062 1.00 21.12 C ATOM 1614 C THR A 101 -6.127 -7.890 -9.111 1.00 35.24 C ATOM 1615 O THR A 101 -7.362 -7.940 -9.093 1.00 5.21 O ATOM 1616 CB THR A 101 -4.860 -8.026 -11.373 1.00 21.30 C ATOM 1617 OG1 THR A 101 -4.080 -8.899 -12.210 1.00 4.52 O ATOM 1618 CG2 THR A 101 -4.037 -6.749 -11.091 1.00 60.41 C ATOM 0 H THR A 101 -5.479 -10.901 -9.973 1.00 61.22 H new ATOM 0 HA THR A 101 -4.371 -9.059 -9.522 1.00 21.12 H new ATOM 0 HB THR A 101 -5.782 -7.717 -11.865 1.00 21.30 H new ATOM 0 HG1 THR A 101 -4.626 -9.666 -12.481 1.00 4.52 H new ATOM 0 HG21 THR A 101 -3.780 -6.266 -12.034 1.00 60.41 H new ATOM 0 HG22 THR A 101 -4.626 -6.064 -10.481 1.00 60.41 H new ATOM 0 HG23 THR A 101 -3.123 -7.015 -10.559 1.00 60.41 H new ATOM 1626 N PHE A 102 -5.424 -7.089 -8.280 1.00 14.24 N ATOM 1627 CA PHE A 102 -6.036 -6.091 -7.382 1.00 64.42 C ATOM 1628 C PHE A 102 -5.146 -4.830 -7.384 1.00 35.11 C ATOM 1629 O PHE A 102 -3.943 -4.931 -7.127 1.00 31.21 O ATOM 1630 CB PHE A 102 -6.182 -6.688 -5.950 1.00 71.12 C ATOM 1631 CG PHE A 102 -7.132 -5.932 -5.019 1.00 23.03 C ATOM 1632 CD1 PHE A 102 -8.507 -5.915 -5.276 1.00 21.11 C ATOM 1633 CD2 PHE A 102 -6.665 -5.256 -3.888 1.00 44.23 C ATOM 1634 CE1 PHE A 102 -9.377 -5.249 -4.432 1.00 75.25 C ATOM 1635 CE2 PHE A 102 -7.540 -4.595 -3.045 1.00 13.01 C ATOM 1636 CZ PHE A 102 -8.894 -4.587 -3.318 1.00 34.10 C ATOM 0 H PHE A 102 -4.407 -7.119 -8.215 1.00 14.24 H new ATOM 0 HA PHE A 102 -7.035 -5.821 -7.726 1.00 64.42 H new ATOM 0 HB2 PHE A 102 -6.529 -7.718 -6.037 1.00 71.12 H new ATOM 0 HB3 PHE A 102 -5.196 -6.722 -5.486 1.00 71.12 H new ATOM 0 HD1 PHE A 102 -8.894 -6.428 -6.144 1.00 21.11 H new ATOM 0 HD2 PHE A 102 -5.607 -5.250 -3.670 1.00 44.23 H new ATOM 0 HE1 PHE A 102 -10.436 -5.246 -4.643 1.00 75.25 H new ATOM 0 HE2 PHE A 102 -7.164 -4.084 -2.171 1.00 13.01 H new ATOM 0 HZ PHE A 102 -9.575 -4.064 -2.662 1.00 34.10 H new ATOM 1646 N GLU A 103 -5.736 -3.658 -7.690 1.00 13.52 N ATOM 1647 CA GLU A 103 -4.996 -2.382 -7.811 1.00 13.30 C ATOM 1648 C GLU A 103 -5.673 -1.292 -6.967 1.00 42.14 C ATOM 1649 O GLU A 103 -6.859 -1.039 -7.123 1.00 43.51 O ATOM 1650 CB GLU A 103 -4.912 -1.945 -9.298 1.00 13.03 C ATOM 1651 CG GLU A 103 -4.179 -0.600 -9.548 1.00 60.23 C ATOM 1652 CD GLU A 103 -4.179 -0.176 -11.029 1.00 62.21 C ATOM 1653 OE1 GLU A 103 -5.270 0.143 -11.555 1.00 72.21 O ATOM 1654 OE2 GLU A 103 -3.102 -0.147 -11.668 1.00 12.21 O ATOM 0 H GLU A 103 -6.738 -3.567 -7.860 1.00 13.52 H new ATOM 0 HA GLU A 103 -3.983 -2.530 -7.438 1.00 13.30 H new ATOM 0 HB2 GLU A 103 -4.405 -2.728 -9.863 1.00 13.03 H new ATOM 0 HB3 GLU A 103 -5.924 -1.869 -9.696 1.00 13.03 H new ATOM 0 HG2 GLU A 103 -4.653 0.181 -8.953 1.00 60.23 H new ATOM 0 HG3 GLU A 103 -3.149 -0.685 -9.201 1.00 60.23 H new ATOM 1661 N VAL A 104 -4.906 -0.668 -6.060 1.00 35.24 N ATOM 1662 CA VAL A 104 -5.382 0.405 -5.179 1.00 44.04 C ATOM 1663 C VAL A 104 -4.552 1.673 -5.437 1.00 44.44 C ATOM 1664 O VAL A 104 -3.381 1.731 -5.060 1.00 23.21 O ATOM 1665 CB VAL A 104 -5.243 -0.034 -3.669 1.00 75.50 C ATOM 1666 CG1 VAL A 104 -5.708 1.072 -2.701 1.00 71.13 C ATOM 1667 CG2 VAL A 104 -5.998 -1.355 -3.405 1.00 2.12 C ATOM 0 H VAL A 104 -3.923 -0.900 -5.917 1.00 35.24 H new ATOM 0 HA VAL A 104 -6.432 0.608 -5.387 1.00 44.04 H new ATOM 0 HB VAL A 104 -4.183 -0.203 -3.479 1.00 75.50 H new ATOM 0 HG11 VAL A 104 -5.595 0.727 -1.673 1.00 71.13 H new ATOM 0 HG12 VAL A 104 -5.103 1.966 -2.852 1.00 71.13 H new ATOM 0 HG13 VAL A 104 -6.755 1.306 -2.892 1.00 71.13 H new ATOM 0 HG21 VAL A 104 -5.886 -1.635 -2.358 1.00 2.12 H new ATOM 0 HG22 VAL A 104 -7.055 -1.222 -3.634 1.00 2.12 H new ATOM 0 HG23 VAL A 104 -5.586 -2.142 -4.037 1.00 2.12 H new ATOM 1677 N GLU A 105 -5.151 2.689 -6.071 1.00 25.21 N ATOM 1678 CA GLU A 105 -4.487 3.989 -6.268 1.00 73.14 C ATOM 1679 C GLU A 105 -4.896 4.924 -5.128 1.00 34.00 C ATOM 1680 O GLU A 105 -6.068 5.292 -4.999 1.00 20.45 O ATOM 1681 CB GLU A 105 -4.822 4.611 -7.654 1.00 11.20 C ATOM 1682 CG GLU A 105 -4.205 3.859 -8.858 1.00 52.44 C ATOM 1683 CD GLU A 105 -4.345 4.618 -10.190 1.00 60.13 C ATOM 1684 OE1 GLU A 105 -3.712 5.686 -10.340 1.00 25.15 O ATOM 1685 OE2 GLU A 105 -5.079 4.155 -11.093 1.00 23.23 O ATOM 0 H GLU A 105 -6.094 2.638 -6.457 1.00 25.21 H new ATOM 0 HA GLU A 105 -3.407 3.841 -6.254 1.00 73.14 H new ATOM 0 HB2 GLU A 105 -5.905 4.638 -7.774 1.00 11.20 H new ATOM 0 HB3 GLU A 105 -4.474 5.644 -7.669 1.00 11.20 H new ATOM 0 HG2 GLU A 105 -3.148 3.678 -8.661 1.00 52.44 H new ATOM 0 HG3 GLU A 105 -4.683 2.884 -8.952 1.00 52.44 H new ATOM 1692 N VAL A 106 -3.912 5.306 -4.299 1.00 53.31 N ATOM 1693 CA VAL A 106 -4.152 6.096 -3.092 1.00 23.24 C ATOM 1694 C VAL A 106 -3.888 7.564 -3.430 1.00 25.52 C ATOM 1695 O VAL A 106 -2.734 7.980 -3.580 1.00 3.14 O ATOM 1696 CB VAL A 106 -3.205 5.635 -1.909 1.00 34.41 C ATOM 1697 CG1 VAL A 106 -3.625 6.269 -0.560 1.00 13.42 C ATOM 1698 CG2 VAL A 106 -3.132 4.091 -1.815 1.00 4.11 C ATOM 0 H VAL A 106 -2.930 5.074 -4.451 1.00 53.31 H new ATOM 0 HA VAL A 106 -5.181 5.954 -2.762 1.00 23.24 H new ATOM 0 HB VAL A 106 -2.202 5.997 -2.135 1.00 34.41 H new ATOM 0 HG11 VAL A 106 -2.952 5.929 0.227 1.00 13.42 H new ATOM 0 HG12 VAL A 106 -3.574 7.355 -0.637 1.00 13.42 H new ATOM 0 HG13 VAL A 106 -4.645 5.970 -0.319 1.00 13.42 H new ATOM 0 HG21 VAL A 106 -2.474 3.807 -0.993 1.00 4.11 H new ATOM 0 HG22 VAL A 106 -4.130 3.690 -1.636 1.00 4.11 H new ATOM 0 HG23 VAL A 106 -2.741 3.688 -2.749 1.00 4.11 H new ATOM 1708 N ILE A 107 -4.970 8.341 -3.565 1.00 54.12 N ATOM 1709 CA ILE A 107 -4.882 9.751 -3.944 1.00 22.11 C ATOM 1710 C ILE A 107 -4.888 10.593 -2.659 1.00 43.50 C ATOM 1711 O ILE A 107 -5.947 10.840 -2.060 1.00 41.23 O ATOM 1712 CB ILE A 107 -6.059 10.150 -4.915 1.00 3.51 C ATOM 1713 CG1 ILE A 107 -6.129 9.174 -6.142 1.00 13.12 C ATOM 1714 CG2 ILE A 107 -5.937 11.620 -5.392 1.00 64.11 C ATOM 1715 CD1 ILE A 107 -4.893 9.157 -7.037 1.00 3.32 C ATOM 0 H ILE A 107 -5.923 8.010 -3.415 1.00 54.12 H new ATOM 0 HA ILE A 107 -3.958 9.937 -4.491 1.00 22.11 H new ATOM 0 HB ILE A 107 -6.988 10.063 -4.351 1.00 3.51 H new ATOM 0 HG12 ILE A 107 -6.302 8.164 -5.771 1.00 13.12 H new ATOM 0 HG13 ILE A 107 -6.993 9.443 -6.750 1.00 13.12 H new ATOM 0 HG21 ILE A 107 -6.766 11.856 -6.059 1.00 64.11 H new ATOM 0 HG22 ILE A 107 -5.964 12.286 -4.529 1.00 64.11 H new ATOM 0 HG23 ILE A 107 -4.995 11.753 -5.924 1.00 64.11 H new ATOM 0 HD11 ILE A 107 -5.045 8.451 -7.853 1.00 3.32 H new ATOM 0 HD12 ILE A 107 -4.726 10.154 -7.446 1.00 3.32 H new ATOM 0 HD13 ILE A 107 -4.024 8.854 -6.452 1.00 3.32 H new ATOM 1727 N LEU A 108 -3.679 10.978 -2.214 1.00 42.35 N ATOM 1728 CA LEU A 108 -3.497 11.743 -0.980 1.00 71.53 C ATOM 1729 C LEU A 108 -3.619 13.240 -1.280 1.00 43.12 C ATOM 1730 O LEU A 108 -2.664 13.892 -1.708 1.00 41.02 O ATOM 1731 CB LEU A 108 -2.117 11.415 -0.343 1.00 53.34 C ATOM 1732 CG LEU A 108 -1.930 9.948 0.157 1.00 62.45 C ATOM 1733 CD1 LEU A 108 -0.496 9.716 0.668 1.00 0.21 C ATOM 1734 CD2 LEU A 108 -2.973 9.589 1.242 1.00 42.34 C ATOM 0 H LEU A 108 -2.808 10.766 -2.701 1.00 42.35 H new ATOM 0 HA LEU A 108 -4.273 11.467 -0.266 1.00 71.53 H new ATOM 0 HB2 LEU A 108 -1.339 11.631 -1.076 1.00 53.34 H new ATOM 0 HB3 LEU A 108 -1.957 12.089 0.499 1.00 53.34 H new ATOM 0 HG LEU A 108 -2.094 9.284 -0.692 1.00 62.45 H new ATOM 0 HD11 LEU A 108 -0.394 8.686 1.010 1.00 0.21 H new ATOM 0 HD12 LEU A 108 0.212 9.902 -0.139 1.00 0.21 H new ATOM 0 HD13 LEU A 108 -0.290 10.395 1.495 1.00 0.21 H new ATOM 0 HD21 LEU A 108 -2.817 8.561 1.570 1.00 42.34 H new ATOM 0 HD22 LEU A 108 -2.861 10.262 2.092 1.00 42.34 H new ATOM 0 HD23 LEU A 108 -3.977 9.690 0.829 1.00 42.34 H new ATOM 1746 N GLU A 109 -4.805 13.786 -1.013 1.00 22.24 N ATOM 1747 CA GLU A 109 -5.111 15.192 -1.282 1.00 64.32 C ATOM 1748 C GLU A 109 -4.931 16.016 -0.008 1.00 50.23 C ATOM 1749 O GLU A 109 -5.854 16.170 0.802 1.00 34.40 O ATOM 1750 CB GLU A 109 -6.538 15.323 -1.868 1.00 13.23 C ATOM 1751 CG GLU A 109 -6.672 14.724 -3.289 1.00 15.14 C ATOM 1752 CD GLU A 109 -8.111 14.668 -3.826 1.00 21.00 C ATOM 1753 OE1 GLU A 109 -8.762 15.728 -3.942 1.00 55.30 O ATOM 1754 OE2 GLU A 109 -8.608 13.561 -4.135 1.00 52.44 O ATOM 0 H GLU A 109 -5.582 13.266 -0.604 1.00 22.24 H new ATOM 0 HA GLU A 109 -4.418 15.584 -2.026 1.00 64.32 H new ATOM 0 HB2 GLU A 109 -7.244 14.825 -1.203 1.00 13.23 H new ATOM 0 HB3 GLU A 109 -6.816 16.376 -1.897 1.00 13.23 H new ATOM 0 HG2 GLU A 109 -6.064 15.313 -3.976 1.00 15.14 H new ATOM 0 HG3 GLU A 109 -6.260 13.715 -3.284 1.00 15.14 H new ATOM 1761 N LEU A 110 -3.696 16.493 0.188 1.00 2.40 N ATOM 1762 CA LEU A 110 -3.364 17.488 1.220 1.00 11.42 C ATOM 1763 C LEU A 110 -3.353 18.885 0.580 1.00 11.02 C ATOM 1764 O LEU A 110 -2.606 19.777 1.007 1.00 31.42 O ATOM 1765 CB LEU A 110 -1.989 17.175 1.877 1.00 20.45 C ATOM 1766 CG LEU A 110 -1.860 15.790 2.598 1.00 54.11 C ATOM 1767 CD1 LEU A 110 -1.447 14.661 1.628 1.00 32.33 C ATOM 1768 CD2 LEU A 110 -0.906 15.877 3.797 1.00 43.13 C ATOM 0 H LEU A 110 -2.893 16.199 -0.367 1.00 2.40 H new ATOM 0 HA LEU A 110 -4.117 17.452 2.007 1.00 11.42 H new ATOM 0 HB2 LEU A 110 -1.221 17.231 1.105 1.00 20.45 H new ATOM 0 HB3 LEU A 110 -1.770 17.959 2.602 1.00 20.45 H new ATOM 0 HG LEU A 110 -2.850 15.533 2.975 1.00 54.11 H new ATOM 0 HD11 LEU A 110 -1.371 13.721 2.175 1.00 32.33 H new ATOM 0 HD12 LEU A 110 -2.196 14.564 0.842 1.00 32.33 H new ATOM 0 HD13 LEU A 110 -0.482 14.900 1.181 1.00 32.33 H new ATOM 0 HD21 LEU A 110 -0.836 14.901 4.278 1.00 43.13 H new ATOM 0 HD22 LEU A 110 0.082 16.184 3.454 1.00 43.13 H new ATOM 0 HD23 LEU A 110 -1.285 16.607 4.512 1.00 43.13 H new ATOM 1780 N GLU A 111 -4.221 19.062 -0.435 1.00 72.01 N ATOM 1781 CA GLU A 111 -4.294 20.282 -1.247 1.00 54.32 C ATOM 1782 C GLU A 111 -5.115 21.361 -0.519 1.00 65.21 C ATOM 1783 O GLU A 111 -6.259 21.672 -0.863 1.00 64.43 O ATOM 1784 CB GLU A 111 -4.853 19.938 -2.655 1.00 60.01 C ATOM 1785 CG GLU A 111 -3.988 18.908 -3.414 1.00 3.31 C ATOM 1786 CD GLU A 111 -4.519 18.550 -4.808 1.00 63.31 C ATOM 1787 OE1 GLU A 111 -5.416 17.693 -4.912 1.00 31.30 O ATOM 1788 OE2 GLU A 111 -4.034 19.120 -5.811 1.00 23.04 O ATOM 0 H GLU A 111 -4.897 18.351 -0.713 1.00 72.01 H new ATOM 0 HA GLU A 111 -3.297 20.698 -1.389 1.00 54.32 H new ATOM 0 HB2 GLU A 111 -5.866 19.548 -2.552 1.00 60.01 H new ATOM 0 HB3 GLU A 111 -4.922 20.852 -3.245 1.00 60.01 H new ATOM 0 HG2 GLU A 111 -2.976 19.301 -3.512 1.00 3.31 H new ATOM 0 HG3 GLU A 111 -3.920 17.998 -2.818 1.00 3.31 H new ATOM 1795 N HIS A 112 -4.498 21.860 0.552 1.00 52.02 N ATOM 1796 CA HIS A 112 -4.960 22.990 1.361 1.00 14.22 C ATOM 1797 C HIS A 112 -3.750 23.915 1.521 1.00 72.45 C ATOM 1798 O HIS A 112 -3.460 24.449 2.595 1.00 15.12 O ATOM 1799 CB HIS A 112 -5.510 22.487 2.728 1.00 0.12 C ATOM 1800 CG HIS A 112 -6.730 21.605 2.602 1.00 0.31 C ATOM 1801 ND1 HIS A 112 -6.796 20.319 3.095 1.00 63.44 N ATOM 1802 CD2 HIS A 112 -7.932 21.838 2.020 1.00 21.34 C ATOM 1803 CE1 HIS A 112 -7.980 19.806 2.816 1.00 1.13 C ATOM 1804 NE2 HIS A 112 -8.682 20.707 2.168 1.00 74.43 N ATOM 0 H HIS A 112 -3.621 21.469 0.896 1.00 52.02 H new ATOM 0 HA HIS A 112 -5.783 23.527 0.890 1.00 14.22 H new ATOM 0 HB2 HIS A 112 -4.725 21.935 3.245 1.00 0.12 H new ATOM 0 HB3 HIS A 112 -5.757 23.348 3.350 1.00 0.12 H new ATOM 0 HD2 HIS A 112 -8.239 22.750 1.530 1.00 21.34 H new ATOM 0 HE1 HIS A 112 -8.315 18.813 3.077 1.00 1.13 H new ATOM 0 HE2 HIS A 112 -9.636 20.582 1.829 1.00 74.43 H new ATOM 1813 N HIS A 113 -3.051 24.091 0.389 1.00 23.50 N ATOM 1814 CA HIS A 113 -1.795 24.845 0.291 1.00 74.32 C ATOM 1815 C HIS A 113 -2.089 26.298 -0.157 1.00 63.13 C ATOM 1816 O HIS A 113 -1.231 26.983 -0.723 1.00 15.43 O ATOM 1817 CB HIS A 113 -0.862 24.087 -0.710 1.00 61.32 C ATOM 1818 CG HIS A 113 0.593 24.480 -0.664 1.00 33.33 C ATOM 1819 ND1 HIS A 113 1.453 24.027 0.313 1.00 62.41 N ATOM 1820 CD2 HIS A 113 1.342 25.256 -1.485 1.00 32.40 C ATOM 1821 CE1 HIS A 113 2.657 24.507 0.094 1.00 75.11 C ATOM 1822 NE2 HIS A 113 2.617 25.253 -0.990 1.00 33.40 N ATOM 0 H HIS A 113 -3.352 23.703 -0.505 1.00 23.50 H new ATOM 0 HA HIS A 113 -1.293 24.912 1.256 1.00 74.32 H new ATOM 0 HB2 HIS A 113 -0.938 23.018 -0.512 1.00 61.32 H new ATOM 0 HB3 HIS A 113 -1.233 24.251 -1.722 1.00 61.32 H new ATOM 0 HD2 HIS A 113 0.997 25.779 -2.365 1.00 32.40 H new ATOM 0 HE1 HIS A 113 3.531 24.321 0.701 1.00 75.11 H new ATOM 0 HE2 HIS A 113 3.410 25.749 -1.396 1.00 33.40 H new ATOM 1831 N HIS A 114 -3.323 26.764 0.133 1.00 62.35 N ATOM 1832 CA HIS A 114 -3.767 28.139 -0.167 1.00 35.54 C ATOM 1833 C HIS A 114 -3.073 29.119 0.805 1.00 43.01 C ATOM 1834 O HIS A 114 -2.896 28.787 1.986 1.00 14.11 O ATOM 1835 CB HIS A 114 -5.313 28.227 -0.042 1.00 1.40 C ATOM 1836 CG HIS A 114 -5.916 29.536 -0.488 1.00 33.31 C ATOM 1837 ND1 HIS A 114 -6.235 30.561 0.379 1.00 42.15 N ATOM 1838 CD2 HIS A 114 -6.290 29.964 -1.718 1.00 64.00 C ATOM 1839 CE1 HIS A 114 -6.779 31.552 -0.300 1.00 25.40 C ATOM 1840 NE2 HIS A 114 -6.822 31.213 -1.569 1.00 42.30 N ATOM 0 H HIS A 114 -4.040 26.194 0.583 1.00 62.35 H new ATOM 0 HA HIS A 114 -3.493 28.408 -1.187 1.00 35.54 H new ATOM 0 HB2 HIS A 114 -5.756 27.422 -0.628 1.00 1.40 H new ATOM 0 HB3 HIS A 114 -5.589 28.053 0.998 1.00 1.40 H new ATOM 0 HD2 HIS A 114 -6.187 29.419 -2.644 1.00 64.00 H new ATOM 0 HE1 HIS A 114 -7.130 32.485 0.116 1.00 25.40 H new ATOM 0 HE2 HIS A 114 -7.194 31.791 -2.323 1.00 42.30 H new ATOM 1849 N HIS A 115 -2.673 30.307 0.297 1.00 30.10 N ATOM 1850 CA HIS A 115 -1.902 31.309 1.069 1.00 72.34 C ATOM 1851 C HIS A 115 -2.679 31.785 2.315 1.00 42.13 C ATOM 1852 O HIS A 115 -3.821 32.248 2.200 1.00 41.23 O ATOM 1853 CB HIS A 115 -1.526 32.518 0.174 1.00 62.12 C ATOM 1854 CG HIS A 115 -0.613 32.178 -0.980 1.00 43.22 C ATOM 1855 ND1 HIS A 115 -0.950 32.377 -2.305 1.00 13.50 N ATOM 1856 CD2 HIS A 115 0.645 31.678 -0.992 1.00 33.21 C ATOM 1857 CE1 HIS A 115 0.054 31.999 -3.075 1.00 15.33 C ATOM 1858 NE2 HIS A 115 1.036 31.573 -2.304 1.00 62.32 N ATOM 0 H HIS A 115 -2.875 30.598 -0.659 1.00 30.10 H new ATOM 0 HA HIS A 115 -0.986 30.826 1.410 1.00 72.34 H new ATOM 0 HB2 HIS A 115 -2.440 32.961 -0.220 1.00 62.12 H new ATOM 0 HB3 HIS A 115 -1.045 33.276 0.792 1.00 62.12 H new ATOM 0 HD2 HIS A 115 1.234 31.410 -0.127 1.00 33.21 H new ATOM 0 HE1 HIS A 115 0.069 32.033 -4.154 1.00 15.33 H new ATOM 0 HE2 HIS A 115 1.937 31.223 -2.629 1.00 62.32 H new ATOM 1867 N HIS A 116 -2.042 31.637 3.496 1.00 22.23 N ATOM 1868 CA HIS A 116 -2.634 31.987 4.797 1.00 43.43 C ATOM 1869 C HIS A 116 -2.843 33.503 4.943 1.00 64.33 C ATOM 1870 O HIS A 116 -1.958 34.306 4.625 1.00 4.31 O ATOM 1871 CB HIS A 116 -1.754 31.468 5.971 1.00 51.34 C ATOM 1872 CG HIS A 116 -2.300 31.788 7.355 1.00 53.31 C ATOM 1873 ND1 HIS A 116 -3.153 30.952 8.039 1.00 64.32 N ATOM 1874 CD2 HIS A 116 -2.119 32.867 8.167 1.00 72.23 C ATOM 1875 CE1 HIS A 116 -3.468 31.498 9.197 1.00 60.34 C ATOM 1876 NE2 HIS A 116 -2.858 32.658 9.299 1.00 13.34 N ATOM 0 H HIS A 116 -1.094 31.268 3.570 1.00 22.23 H new ATOM 0 HA HIS A 116 -3.609 31.501 4.838 1.00 43.43 H new ATOM 0 HB2 HIS A 116 -1.645 30.387 5.877 1.00 51.34 H new ATOM 0 HB3 HIS A 116 -0.757 31.898 5.879 1.00 51.34 H new ATOM 0 HD2 HIS A 116 -1.504 33.730 7.956 1.00 72.23 H new ATOM 0 HE1 HIS A 116 -4.120 31.063 9.940 1.00 60.34 H new ATOM 0 HE2 HIS A 116 -2.925 33.297 10.091 1.00 13.34 H new ATOM 1885 N HIS A 117 -4.036 33.845 5.437 1.00 31.24 N ATOM 1886 CA HIS A 117 -4.402 35.183 5.912 1.00 5.20 C ATOM 1887 C HIS A 117 -5.597 35.030 6.883 1.00 65.34 C ATOM 1888 O HIS A 117 -6.636 34.472 6.469 1.00 34.00 O ATOM 1889 CB HIS A 117 -4.710 36.164 4.738 1.00 64.31 C ATOM 1890 CG HIS A 117 -5.653 35.628 3.687 1.00 15.10 C ATOM 1891 ND1 HIS A 117 -5.253 34.726 2.731 1.00 33.14 N ATOM 1892 CD2 HIS A 117 -6.970 35.860 3.448 1.00 35.12 C ATOM 1893 CE1 HIS A 117 -6.271 34.427 1.958 1.00 75.23 C ATOM 1894 NE2 HIS A 117 -7.322 35.098 2.368 1.00 3.45 N ATOM 1895 OXT HIS A 117 -5.489 35.433 8.057 1.00 37.52 O ATOM 0 H HIS A 117 -4.800 33.175 5.520 1.00 31.24 H new ATOM 0 HA HIS A 117 -3.559 35.631 6.437 1.00 5.20 H new ATOM 0 HB2 HIS A 117 -5.134 37.079 5.151 1.00 64.31 H new ATOM 0 HB3 HIS A 117 -3.771 36.436 4.257 1.00 64.31 H new ATOM 0 HD1 HIS A 117 -4.311 34.347 2.636 1.00 33.14 H new ATOM 0 HD2 HIS A 117 -7.617 36.521 4.005 1.00 35.12 H new ATOM 0 HE1 HIS A 117 -6.248 33.742 1.123 1.00 75.23 H new TER 1904 HIS A 117