USER MOD reduce.3.24.130724 H: found=0, std=0, add=1103, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1103 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 65 LYS NZ :NH3+ 154:sc= -1.19 (180deg=-2.86!) USER MOD Set 1.2: A 100 GLN : amide:sc= 0 K(o=-1.2,f=-2) USER MOD Set 2.1: A 33 ASN : amide:sc= 0.328 K(o=0.37,f=-0.75!) USER MOD Set 2.2: A 59 ASN : amide:sc= 0.0403 K(o=0.37,f=-0.26) USER MOD Set 3.1: A 2 LYS NZ :NH3+ -142:sc= 0.883 (180deg=0.637) USER MOD Set 3.2: A 50 ASN : amide:sc= -0.425 K(o=0.46,f=-6.3!) USER MOD Single : A 1 MET CE :methyl 168:sc=-0.00558 (180deg=-0.156) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.467 K(o=-0.47,f=-2!) USER MOD Single : A 9 THR OG1 : rot 50:sc= 0.623 USER MOD Single : A 10 ASN : amide:sc= 0.0202 X(o=0.02,f=-0.45) USER MOD Single : A 11 ASN : amide:sc= -2.01 K(o=-2,f=-3.9!) USER MOD Single : A 16 LYS NZ :NH3+ -107:sc= 0.776 (180deg=-0.0117) USER MOD Single : A 17 LYS NZ :NH3+ 163:sc= 0.276 (180deg=0.116) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -166:sc= 0.647 (180deg=0.322) USER MOD Single : A 24 ASN : amide:sc= -0.8 X(o=-0.8,f=-0.52) USER MOD Single : A 25 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.018) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc=-0.000817 F(o=-2.1!,f=-0.00082) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= -0.0316 (180deg=-0.183) USER MOD Single : A 40 LYS NZ :NH3+ -116:sc= -0.0781 (180deg=-0.408) USER MOD Single : A 42 MET CE :methyl -167:sc= -2.92 (180deg=-3.45!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -127:sc= 0.515 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 132:sc= 1.25 (180deg=0.616) USER MOD Single : A 57 LYS NZ :NH3+ -121:sc= 0.732 (180deg=-2.45!) USER MOD Single : A 58 SER OG : rot -103:sc= -0.157 USER MOD Single : A 61 LYS NZ :NH3+ -153:sc= 0.644 (180deg=0.089) USER MOD Single : A 62 GLN : amide:sc= -0.224 K(o=-0.22,f=-3.7!) USER MOD Single : A 67 MET CE :methyl -137:sc= -0.0704 (180deg=-2.41!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -111:sc= 0.931 (180deg=-0.472) USER MOD Single : A 76 TYR OH : rot 0:sc= -0.297 USER MOD Single : A 77 LYS NZ :NH3+ 171:sc= 0.425 (180deg=0.379) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -161:sc= -0.101 (180deg=-0.189) USER MOD Single : A 96 LYS NZ :NH3+ -134:sc= 0.125 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot -133:sc= -0.085 USER MOD Single : A 106 LYS NZ :NH3+ -143:sc= 0.671 (180deg=0.0522) USER MOD Single : A 108 THR OG1 : rot 78:sc= 0.307 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 MET CE :methyl -128:sc= -4.15! (180deg=-4.53!) USER MOD Single : A 122 GLN : amide:sc= -0.0134 X(o=-0.013,f=-0.39) USER MOD Single : A 123 LYS NZ :NH3+ -139:sc= -2.1! (180deg=-3.23!) USER MOD Single : A 126 SER OG : rot 65:sc= 0.501 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.745 9.861 12.062 1.00 74.21 N ATOM 2 CA MET A 1 5.198 9.486 10.740 1.00 32.03 C ATOM 3 C MET A 1 5.050 7.960 10.662 1.00 5.33 C ATOM 4 O MET A 1 6.044 7.238 10.752 1.00 61.42 O ATOM 5 CB MET A 1 6.135 10.007 9.614 1.00 33.24 C ATOM 6 CG MET A 1 5.698 9.640 8.188 1.00 62.44 C ATOM 7 SD MET A 1 4.119 10.368 7.712 1.00 14.00 S ATOM 8 CE MET A 1 4.493 12.124 7.657 1.00 33.34 C ATOM 0 H1 MET A 1 5.846 10.895 12.116 1.00 74.21 H new ATOM 0 H2 MET A 1 5.099 9.537 12.810 1.00 74.21 H new ATOM 0 H3 MET A 1 6.676 9.416 12.192 1.00 74.21 H new ATOM 0 HA MET A 1 4.216 9.940 10.607 1.00 32.03 H new ATOM 0 HB2 MET A 1 6.202 11.092 9.690 1.00 33.24 H new ATOM 0 HB3 MET A 1 7.137 9.613 9.784 1.00 33.24 H new ATOM 0 HG2 MET A 1 6.466 9.965 7.486 1.00 62.44 H new ATOM 0 HG3 MET A 1 5.629 8.555 8.105 1.00 62.44 H new ATOM 0 HE1 MET A 1 3.673 12.656 7.175 1.00 33.34 H new ATOM 0 HE2 MET A 1 4.623 12.500 8.672 1.00 33.34 H new ATOM 0 HE3 MET A 1 5.411 12.283 7.091 1.00 33.34 H new ATOM 20 N LYS A 2 3.811 7.469 10.520 1.00 5.11 N ATOM 21 CA LYS A 2 3.547 6.038 10.336 1.00 55.43 C ATOM 22 C LYS A 2 3.587 5.728 8.826 1.00 64.24 C ATOM 23 O LYS A 2 2.785 6.257 8.060 1.00 35.02 O ATOM 24 CB LYS A 2 2.184 5.650 10.963 1.00 52.21 C ATOM 25 CG LYS A 2 1.925 4.126 11.017 1.00 41.43 C ATOM 26 CD LYS A 2 0.521 3.770 11.541 1.00 13.11 C ATOM 27 CE LYS A 2 0.316 4.118 13.023 1.00 42.33 C ATOM 28 NZ LYS A 2 1.189 3.307 13.913 1.00 11.24 N ATOM 0 H LYS A 2 2.971 8.048 10.529 1.00 5.11 H new ATOM 0 HA LYS A 2 4.308 5.446 10.844 1.00 55.43 H new ATOM 0 HB2 LYS A 2 2.134 6.052 11.975 1.00 52.21 H new ATOM 0 HB3 LYS A 2 1.385 6.123 10.392 1.00 52.21 H new ATOM 0 HG2 LYS A 2 2.051 3.707 10.019 1.00 41.43 H new ATOM 0 HG3 LYS A 2 2.674 3.659 11.656 1.00 41.43 H new ATOM 0 HD2 LYS A 2 -0.225 4.296 10.945 1.00 13.11 H new ATOM 0 HD3 LYS A 2 0.348 2.703 11.399 1.00 13.11 H new ATOM 0 HE2 LYS A 2 0.524 5.177 13.179 1.00 42.33 H new ATOM 0 HE3 LYS A 2 -0.727 3.955 13.292 1.00 42.33 H new ATOM 0 HZ1 LYS A 2 0.667 3.056 14.777 1.00 11.24 H new ATOM 0 HZ2 LYS A 2 1.478 2.439 13.419 1.00 11.24 H new ATOM 0 HZ3 LYS A 2 2.034 3.858 14.167 1.00 11.24 H new ATOM 42 N ILE A 3 4.554 4.909 8.411 1.00 4.24 N ATOM 43 CA ILE A 3 4.826 4.627 6.994 1.00 50.21 C ATOM 44 C ILE A 3 4.111 3.333 6.568 1.00 33.44 C ATOM 45 O ILE A 3 4.523 2.248 6.961 1.00 1.35 O ATOM 46 CB ILE A 3 6.376 4.491 6.764 1.00 22.40 C ATOM 47 CG1 ILE A 3 7.116 5.775 7.281 1.00 1.13 C ATOM 48 CG2 ILE A 3 6.695 4.198 5.273 1.00 72.52 C ATOM 49 CD1 ILE A 3 8.628 5.692 7.279 1.00 60.21 C ATOM 0 H ILE A 3 5.178 4.417 9.051 1.00 4.24 H new ATOM 0 HA ILE A 3 4.450 5.451 6.388 1.00 50.21 H new ATOM 0 HB ILE A 3 6.742 3.641 7.340 1.00 22.40 H new ATOM 0 HG12 ILE A 3 6.814 6.622 6.665 1.00 1.13 H new ATOM 0 HG13 ILE A 3 6.781 5.984 8.297 1.00 1.13 H new ATOM 0 HG21 ILE A 3 7.773 4.109 5.142 1.00 72.52 H new ATOM 0 HG22 ILE A 3 6.215 3.266 4.975 1.00 72.52 H new ATOM 0 HG23 ILE A 3 6.321 5.013 4.654 1.00 72.52 H new ATOM 0 HD11 ILE A 3 9.044 6.627 7.653 1.00 60.21 H new ATOM 0 HD12 ILE A 3 8.948 4.870 7.920 1.00 60.21 H new ATOM 0 HD13 ILE A 3 8.982 5.518 6.263 1.00 60.21 H new ATOM 61 N LEU A 4 3.019 3.448 5.800 1.00 15.40 N ATOM 62 CA LEU A 4 2.341 2.278 5.198 1.00 33.55 C ATOM 63 C LEU A 4 2.699 2.189 3.713 1.00 1.33 C ATOM 64 O LEU A 4 2.876 3.215 3.052 1.00 23.21 O ATOM 65 CB LEU A 4 0.787 2.339 5.367 1.00 71.03 C ATOM 66 CG LEU A 4 0.211 1.995 6.783 1.00 3.54 C ATOM 67 CD1 LEU A 4 0.617 3.040 7.836 1.00 12.25 C ATOM 68 CD2 LEU A 4 -1.323 1.817 6.728 1.00 52.45 C ATOM 0 H LEU A 4 2.580 4.341 5.577 1.00 15.40 H new ATOM 0 HA LEU A 4 2.689 1.389 5.724 1.00 33.55 H new ATOM 0 HB2 LEU A 4 0.457 3.343 5.102 1.00 71.03 H new ATOM 0 HB3 LEU A 4 0.341 1.656 4.645 1.00 71.03 H new ATOM 0 HG LEU A 4 0.648 1.046 7.092 1.00 3.54 H new ATOM 0 HD11 LEU A 4 0.197 2.764 8.803 1.00 12.25 H new ATOM 0 HD12 LEU A 4 1.704 3.079 7.910 1.00 12.25 H new ATOM 0 HD13 LEU A 4 0.238 4.019 7.542 1.00 12.25 H new ATOM 0 HD21 LEU A 4 -1.698 1.579 7.724 1.00 52.45 H new ATOM 0 HD22 LEU A 4 -1.784 2.741 6.378 1.00 52.45 H new ATOM 0 HD23 LEU A 4 -1.571 1.006 6.043 1.00 52.45 H new ATOM 80 N ILE A 5 2.833 0.956 3.212 1.00 55.24 N ATOM 81 CA ILE A 5 2.893 0.664 1.779 1.00 35.51 C ATOM 82 C ILE A 5 1.757 -0.320 1.463 1.00 3.42 C ATOM 83 O ILE A 5 1.778 -1.465 1.927 1.00 50.11 O ATOM 84 CB ILE A 5 4.284 0.068 1.317 1.00 14.31 C ATOM 85 CG1 ILE A 5 5.457 1.046 1.661 1.00 11.22 C ATOM 86 CG2 ILE A 5 4.265 -0.262 -0.206 1.00 32.51 C ATOM 87 CD1 ILE A 5 6.838 0.568 1.235 1.00 45.44 C ATOM 0 H ILE A 5 2.903 0.125 3.799 1.00 55.24 H new ATOM 0 HA ILE A 5 2.781 1.598 1.229 1.00 35.51 H new ATOM 0 HB ILE A 5 4.451 -0.860 1.864 1.00 14.31 H new ATOM 0 HG12 ILE A 5 5.259 2.007 1.187 1.00 11.22 H new ATOM 0 HG13 ILE A 5 5.464 1.217 2.738 1.00 11.22 H new ATOM 0 HG21 ILE A 5 5.231 -0.670 -0.502 1.00 32.51 H new ATOM 0 HG22 ILE A 5 3.484 -0.994 -0.410 1.00 32.51 H new ATOM 0 HG23 ILE A 5 4.067 0.648 -0.773 1.00 32.51 H new ATOM 0 HD11 ILE A 5 7.583 1.312 1.516 1.00 45.44 H new ATOM 0 HD12 ILE A 5 7.064 -0.377 1.729 1.00 45.44 H new ATOM 0 HD13 ILE A 5 6.857 0.426 0.154 1.00 45.44 H new ATOM 99 N LEU A 6 0.761 0.147 0.701 1.00 74.43 N ATOM 100 CA LEU A 6 -0.387 -0.666 0.295 1.00 14.42 C ATOM 101 C LEU A 6 -0.042 -1.383 -1.006 1.00 72.22 C ATOM 102 O LEU A 6 0.308 -0.748 -1.997 1.00 0.44 O ATOM 103 CB LEU A 6 -1.647 0.217 0.080 1.00 43.31 C ATOM 104 CG LEU A 6 -2.137 1.034 1.303 1.00 23.34 C ATOM 105 CD1 LEU A 6 -3.378 1.884 0.952 1.00 43.43 C ATOM 106 CD2 LEU A 6 -2.411 0.132 2.512 1.00 54.21 C ATOM 0 H LEU A 6 0.730 1.104 0.348 1.00 74.43 H new ATOM 0 HA LEU A 6 -0.607 -1.387 1.083 1.00 14.42 H new ATOM 0 HB2 LEU A 6 -1.441 0.912 -0.734 1.00 43.31 H new ATOM 0 HB3 LEU A 6 -2.463 -0.427 -0.249 1.00 43.31 H new ATOM 0 HG LEU A 6 -1.333 1.716 1.578 1.00 23.34 H new ATOM 0 HD11 LEU A 6 -3.696 2.444 1.831 1.00 43.43 H new ATOM 0 HD12 LEU A 6 -3.128 2.579 0.150 1.00 43.43 H new ATOM 0 HD13 LEU A 6 -4.187 1.230 0.627 1.00 43.43 H new ATOM 0 HD21 LEU A 6 -2.753 0.740 3.350 1.00 54.21 H new ATOM 0 HD22 LEU A 6 -3.180 -0.597 2.255 1.00 54.21 H new ATOM 0 HD23 LEU A 6 -1.496 -0.390 2.792 1.00 54.21 H new ATOM 118 N ILE A 7 -0.107 -2.704 -0.969 1.00 41.13 N ATOM 119 CA ILE A 7 0.070 -3.555 -2.148 1.00 55.33 C ATOM 120 C ILE A 7 -1.273 -4.201 -2.483 1.00 73.13 C ATOM 121 O ILE A 7 -1.816 -4.982 -1.679 1.00 41.45 O ATOM 122 CB ILE A 7 1.163 -4.673 -1.910 1.00 11.32 C ATOM 123 CG1 ILE A 7 2.531 -4.041 -1.512 1.00 2.23 C ATOM 124 CG2 ILE A 7 1.328 -5.584 -3.153 1.00 44.04 C ATOM 125 CD1 ILE A 7 3.163 -3.134 -2.560 1.00 42.33 C ATOM 0 H ILE A 7 -0.286 -3.228 -0.112 1.00 41.13 H new ATOM 0 HA ILE A 7 0.418 -2.937 -2.976 1.00 55.33 H new ATOM 0 HB ILE A 7 0.816 -5.294 -1.084 1.00 11.32 H new ATOM 0 HG12 ILE A 7 2.394 -3.467 -0.595 1.00 2.23 H new ATOM 0 HG13 ILE A 7 3.230 -4.845 -1.283 1.00 2.23 H new ATOM 0 HG21 ILE A 7 2.087 -6.340 -2.952 1.00 44.04 H new ATOM 0 HG22 ILE A 7 0.379 -6.073 -3.374 1.00 44.04 H new ATOM 0 HG23 ILE A 7 1.634 -4.981 -4.008 1.00 44.04 H new ATOM 0 HD11 ILE A 7 4.110 -2.747 -2.183 1.00 42.33 H new ATOM 0 HD12 ILE A 7 3.341 -3.702 -3.473 1.00 42.33 H new ATOM 0 HD13 ILE A 7 2.491 -2.303 -2.775 1.00 42.33 H new ATOM 137 N ASN A 8 -1.816 -3.850 -3.651 1.00 32.15 N ATOM 138 CA ASN A 8 -2.982 -4.524 -4.220 1.00 23.53 C ATOM 139 C ASN A 8 -2.601 -4.956 -5.633 1.00 10.24 C ATOM 140 O ASN A 8 -2.547 -4.138 -6.564 1.00 72.22 O ATOM 141 CB ASN A 8 -4.225 -3.587 -4.214 1.00 51.13 C ATOM 142 CG ASN A 8 -5.547 -4.291 -4.580 1.00 13.30 C ATOM 143 OD1 ASN A 8 -5.595 -5.208 -5.403 1.00 55.04 O ATOM 144 ND2 ASN A 8 -6.634 -3.883 -3.953 1.00 63.33 N ATOM 0 H ASN A 8 -1.458 -3.089 -4.228 1.00 32.15 H new ATOM 0 HA ASN A 8 -3.260 -5.394 -3.625 1.00 23.53 H new ATOM 0 HB2 ASN A 8 -4.325 -3.141 -3.224 1.00 51.13 H new ATOM 0 HB3 ASN A 8 -4.054 -2.771 -4.916 1.00 51.13 H new ATOM 0 HD21 ASN A 8 -7.531 -4.328 -4.146 1.00 63.33 H new ATOM 0 HD22 ASN A 8 -6.577 -3.123 -3.275 1.00 63.33 H new ATOM 151 N THR A 9 -2.279 -6.242 -5.761 1.00 41.11 N ATOM 152 CA THR A 9 -1.934 -6.869 -7.031 1.00 72.22 C ATOM 153 C THR A 9 -2.737 -8.149 -7.211 1.00 45.31 C ATOM 154 O THR A 9 -3.028 -8.854 -6.233 1.00 24.13 O ATOM 155 CB THR A 9 -0.399 -7.154 -7.154 1.00 22.32 C ATOM 156 OG1 THR A 9 -0.106 -7.903 -8.352 1.00 14.25 O ATOM 157 CG2 THR A 9 0.167 -7.887 -5.953 1.00 5.21 C ATOM 0 H THR A 9 -2.251 -6.886 -4.971 1.00 41.11 H new ATOM 0 HA THR A 9 -2.189 -6.169 -7.827 1.00 72.22 H new ATOM 0 HB THR A 9 0.082 -6.177 -7.202 1.00 22.32 H new ATOM 0 HG1 THR A 9 -0.535 -7.472 -9.121 1.00 14.25 H new ATOM 0 HG21 THR A 9 1.234 -8.055 -6.099 1.00 5.21 H new ATOM 0 HG22 THR A 9 0.013 -7.288 -5.055 1.00 5.21 H new ATOM 0 HG23 THR A 9 -0.339 -8.846 -5.840 1.00 5.21 H new ATOM 165 N ASN A 10 -3.108 -8.424 -8.469 1.00 10.12 N ATOM 166 CA ASN A 10 -3.773 -9.687 -8.851 1.00 52.23 C ATOM 167 C ASN A 10 -2.787 -10.859 -8.646 1.00 14.34 C ATOM 168 O ASN A 10 -3.168 -11.941 -8.197 1.00 30.23 O ATOM 169 CB ASN A 10 -4.240 -9.595 -10.330 1.00 33.22 C ATOM 170 CG ASN A 10 -5.196 -10.713 -10.800 1.00 4.12 C ATOM 171 OD1 ASN A 10 -5.197 -11.835 -10.291 1.00 23.34 O ATOM 172 ND2 ASN A 10 -6.002 -10.411 -11.810 1.00 51.31 N ATOM 0 H ASN A 10 -2.959 -7.785 -9.250 1.00 10.12 H new ATOM 0 HA ASN A 10 -4.650 -9.860 -8.227 1.00 52.23 H new ATOM 0 HB2 ASN A 10 -4.734 -8.634 -10.477 1.00 33.22 H new ATOM 0 HB3 ASN A 10 -3.359 -9.602 -10.971 1.00 33.22 H new ATOM 0 HD21 ASN A 10 -6.640 -11.115 -12.181 1.00 51.31 H new ATOM 0 HD22 ASN A 10 -5.983 -9.475 -12.215 1.00 51.31 H new ATOM 179 N ASN A 11 -1.505 -10.598 -8.961 1.00 33.20 N ATOM 180 CA ASN A 11 -0.411 -11.573 -8.832 1.00 43.21 C ATOM 181 C ASN A 11 0.102 -11.590 -7.370 1.00 65.15 C ATOM 182 O ASN A 11 0.932 -10.772 -6.984 1.00 74.13 O ATOM 183 CB ASN A 11 0.729 -11.220 -9.836 1.00 53.12 C ATOM 184 CG ASN A 11 1.902 -12.208 -9.827 1.00 63.15 C ATOM 185 OD1 ASN A 11 1.736 -13.394 -9.546 1.00 64.42 O ATOM 186 ND2 ASN A 11 3.090 -11.722 -10.146 1.00 41.42 N ATOM 0 H ASN A 11 -1.198 -9.693 -9.316 1.00 33.20 H new ATOM 0 HA ASN A 11 -0.773 -12.572 -9.073 1.00 43.21 H new ATOM 0 HB2 ASN A 11 0.312 -11.178 -10.842 1.00 53.12 H new ATOM 0 HB3 ASN A 11 1.106 -10.224 -9.605 1.00 53.12 H new ATOM 0 HD21 ASN A 11 3.904 -12.336 -10.164 1.00 41.42 H new ATOM 0 HD22 ASN A 11 3.192 -10.733 -10.374 1.00 41.42 H new ATOM 193 N ASP A 12 -0.439 -12.514 -6.560 1.00 32.23 N ATOM 194 CA ASP A 12 -0.052 -12.691 -5.139 1.00 44.43 C ATOM 195 C ASP A 12 1.366 -13.304 -4.999 1.00 52.41 C ATOM 196 O ASP A 12 2.030 -13.143 -3.961 1.00 4.43 O ATOM 197 CB ASP A 12 -1.111 -13.560 -4.410 1.00 63.33 C ATOM 198 CG ASP A 12 -0.794 -13.801 -2.921 1.00 33.44 C ATOM 199 OD1 ASP A 12 -0.713 -12.816 -2.160 1.00 33.13 O ATOM 200 OD2 ASP A 12 -0.604 -14.968 -2.507 1.00 62.41 O ATOM 0 H ASP A 12 -1.161 -13.165 -6.868 1.00 32.23 H new ATOM 0 HA ASP A 12 -0.018 -11.707 -4.671 1.00 44.43 H new ATOM 0 HB2 ASP A 12 -2.084 -13.076 -4.492 1.00 63.33 H new ATOM 0 HB3 ASP A 12 -1.190 -14.522 -4.916 1.00 63.33 H new ATOM 205 N GLU A 13 1.828 -13.979 -6.069 1.00 73.52 N ATOM 206 CA GLU A 13 3.204 -14.524 -6.163 1.00 61.22 C ATOM 207 C GLU A 13 4.245 -13.379 -6.103 1.00 2.12 C ATOM 208 O GLU A 13 5.338 -13.535 -5.544 1.00 54.32 O ATOM 209 CB GLU A 13 3.357 -15.319 -7.482 1.00 64.01 C ATOM 210 CG GLU A 13 2.340 -16.463 -7.656 1.00 33.43 C ATOM 211 CD GLU A 13 2.389 -17.104 -9.054 1.00 22.15 C ATOM 212 OE1 GLU A 13 3.211 -18.021 -9.273 1.00 12.31 O ATOM 213 OE2 GLU A 13 1.609 -16.691 -9.942 1.00 10.32 O ATOM 0 H GLU A 13 1.260 -14.164 -6.896 1.00 73.52 H new ATOM 0 HA GLU A 13 3.380 -15.191 -5.319 1.00 61.22 H new ATOM 0 HB2 GLU A 13 3.258 -14.630 -8.321 1.00 64.01 H new ATOM 0 HB3 GLU A 13 4.364 -15.734 -7.527 1.00 64.01 H new ATOM 0 HG2 GLU A 13 2.531 -17.229 -6.904 1.00 33.43 H new ATOM 0 HG3 GLU A 13 1.336 -16.080 -7.473 1.00 33.43 H new ATOM 220 N LEU A 14 3.867 -12.233 -6.691 1.00 43.22 N ATOM 221 CA LEU A 14 4.642 -10.979 -6.644 1.00 5.43 C ATOM 222 C LEU A 14 4.797 -10.447 -5.199 1.00 44.22 C ATOM 223 O LEU A 14 5.850 -9.905 -4.848 1.00 50.41 O ATOM 224 CB LEU A 14 3.948 -9.933 -7.559 1.00 53.12 C ATOM 225 CG LEU A 14 4.457 -8.461 -7.510 1.00 4.01 C ATOM 226 CD1 LEU A 14 5.970 -8.354 -7.805 1.00 41.24 C ATOM 227 CD2 LEU A 14 3.619 -7.575 -8.463 1.00 25.03 C ATOM 0 H LEU A 14 3.000 -12.148 -7.222 1.00 43.22 H new ATOM 0 HA LEU A 14 5.652 -11.172 -7.006 1.00 5.43 H new ATOM 0 HB2 LEU A 14 4.034 -10.281 -8.588 1.00 53.12 H new ATOM 0 HB3 LEU A 14 2.886 -9.927 -7.312 1.00 53.12 H new ATOM 0 HG LEU A 14 4.322 -8.093 -6.493 1.00 4.01 H new ATOM 0 HD11 LEU A 14 6.277 -7.309 -7.759 1.00 41.24 H new ATOM 0 HD12 LEU A 14 6.527 -8.928 -7.064 1.00 41.24 H new ATOM 0 HD13 LEU A 14 6.176 -8.749 -8.800 1.00 41.24 H new ATOM 0 HD21 LEU A 14 3.984 -6.549 -8.420 1.00 25.03 H new ATOM 0 HD22 LEU A 14 3.710 -7.950 -9.482 1.00 25.03 H new ATOM 0 HD23 LEU A 14 2.573 -7.601 -8.158 1.00 25.03 H new ATOM 239 N ILE A 15 3.760 -10.636 -4.363 1.00 61.52 N ATOM 240 CA ILE A 15 3.754 -10.151 -2.964 1.00 5.23 C ATOM 241 C ILE A 15 4.813 -10.876 -2.120 1.00 50.25 C ATOM 242 O ILE A 15 5.415 -10.262 -1.245 1.00 54.30 O ATOM 243 CB ILE A 15 2.326 -10.282 -2.308 1.00 1.33 C ATOM 244 CG1 ILE A 15 1.315 -9.473 -3.165 1.00 45.55 C ATOM 245 CG2 ILE A 15 2.311 -9.812 -0.827 1.00 44.52 C ATOM 246 CD1 ILE A 15 -0.107 -9.451 -2.668 1.00 20.14 C ATOM 0 H ILE A 15 2.906 -11.125 -4.632 1.00 61.52 H new ATOM 0 HA ILE A 15 4.009 -9.091 -2.989 1.00 5.23 H new ATOM 0 HB ILE A 15 2.042 -11.334 -2.291 1.00 1.33 H new ATOM 0 HG12 ILE A 15 1.670 -8.445 -3.235 1.00 45.55 H new ATOM 0 HG13 ILE A 15 1.319 -9.881 -4.176 1.00 45.55 H new ATOM 0 HG21 ILE A 15 1.306 -9.922 -0.421 1.00 44.52 H new ATOM 0 HG22 ILE A 15 3.006 -10.418 -0.246 1.00 44.52 H new ATOM 0 HG23 ILE A 15 2.611 -8.765 -0.774 1.00 44.52 H new ATOM 0 HD11 ILE A 15 -0.720 -8.857 -3.346 1.00 20.14 H new ATOM 0 HD12 ILE A 15 -0.494 -10.469 -2.627 1.00 20.14 H new ATOM 0 HD13 ILE A 15 -0.137 -9.011 -1.671 1.00 20.14 H new ATOM 258 N LYS A 16 5.078 -12.162 -2.440 1.00 45.33 N ATOM 259 CA LYS A 16 6.119 -12.967 -1.739 1.00 13.21 C ATOM 260 C LYS A 16 7.500 -12.289 -1.894 1.00 50.01 C ATOM 261 O LYS A 16 8.324 -12.274 -0.963 1.00 50.32 O ATOM 262 CB LYS A 16 6.202 -14.418 -2.306 1.00 54.04 C ATOM 263 CG LYS A 16 4.854 -15.094 -2.617 1.00 2.33 C ATOM 264 CD LYS A 16 3.872 -15.153 -1.430 1.00 74.10 C ATOM 265 CE LYS A 16 2.561 -15.849 -1.828 1.00 42.52 C ATOM 266 NZ LYS A 16 1.548 -15.785 -0.750 1.00 44.30 N ATOM 0 H LYS A 16 4.589 -12.670 -3.177 1.00 45.33 H new ATOM 0 HA LYS A 16 5.839 -13.021 -0.687 1.00 13.21 H new ATOM 0 HB2 LYS A 16 6.796 -14.397 -3.220 1.00 54.04 H new ATOM 0 HB3 LYS A 16 6.741 -15.038 -1.589 1.00 54.04 H new ATOM 0 HG2 LYS A 16 4.377 -14.560 -3.439 1.00 2.33 H new ATOM 0 HG3 LYS A 16 5.044 -16.110 -2.964 1.00 2.33 H new ATOM 0 HD2 LYS A 16 4.333 -15.687 -0.599 1.00 74.10 H new ATOM 0 HD3 LYS A 16 3.659 -14.143 -1.080 1.00 74.10 H new ATOM 0 HE2 LYS A 16 2.162 -15.382 -2.728 1.00 42.52 H new ATOM 0 HE3 LYS A 16 2.764 -16.892 -2.073 1.00 42.52 H new ATOM 0 HZ1 LYS A 16 1.448 -16.723 -0.311 1.00 44.30 H new ATOM 0 HZ2 LYS A 16 1.849 -15.096 -0.031 1.00 44.30 H new ATOM 0 HZ3 LYS A 16 0.634 -15.491 -1.150 1.00 44.30 H new ATOM 280 N LYS A 17 7.699 -11.714 -3.095 1.00 23.33 N ATOM 281 CA LYS A 17 8.926 -11.003 -3.479 1.00 53.23 C ATOM 282 C LYS A 17 9.006 -9.651 -2.734 1.00 4.40 C ATOM 283 O LYS A 17 10.026 -9.335 -2.110 1.00 52.34 O ATOM 284 CB LYS A 17 8.942 -10.777 -5.021 1.00 50.41 C ATOM 285 CG LYS A 17 8.560 -12.019 -5.861 1.00 22.21 C ATOM 286 CD LYS A 17 8.747 -11.806 -7.384 1.00 24.51 C ATOM 287 CE LYS A 17 10.228 -11.679 -7.784 1.00 44.10 C ATOM 288 NZ LYS A 17 10.410 -11.582 -9.256 1.00 73.14 N ATOM 0 H LYS A 17 6.998 -11.733 -3.836 1.00 23.33 H new ATOM 0 HA LYS A 17 9.793 -11.604 -3.203 1.00 53.23 H new ATOM 0 HB2 LYS A 17 8.255 -9.966 -5.263 1.00 50.41 H new ATOM 0 HB3 LYS A 17 9.939 -10.448 -5.316 1.00 50.41 H new ATOM 0 HG2 LYS A 17 9.167 -12.866 -5.542 1.00 22.21 H new ATOM 0 HG3 LYS A 17 7.520 -12.279 -5.662 1.00 22.21 H new ATOM 0 HD2 LYS A 17 8.299 -12.641 -7.922 1.00 24.51 H new ATOM 0 HD3 LYS A 17 8.213 -10.906 -7.690 1.00 24.51 H new ATOM 0 HE2 LYS A 17 10.656 -10.796 -7.309 1.00 44.10 H new ATOM 0 HE3 LYS A 17 10.778 -12.542 -7.408 1.00 44.10 H new ATOM 0 HZ1 LYS A 17 11.361 -11.215 -9.465 1.00 73.14 H new ATOM 0 HZ2 LYS A 17 10.301 -12.524 -9.682 1.00 73.14 H new ATOM 0 HZ3 LYS A 17 9.696 -10.938 -9.652 1.00 73.14 H new ATOM 302 N ILE A 18 7.880 -8.894 -2.784 1.00 34.21 N ATOM 303 CA ILE A 18 7.744 -7.553 -2.163 1.00 3.33 C ATOM 304 C ILE A 18 7.922 -7.631 -0.628 1.00 0.41 C ATOM 305 O ILE A 18 8.429 -6.689 -0.003 1.00 33.24 O ATOM 306 CB ILE A 18 6.348 -6.901 -2.526 1.00 65.53 C ATOM 307 CG1 ILE A 18 6.217 -6.709 -4.075 1.00 2.21 C ATOM 308 CG2 ILE A 18 6.120 -5.556 -1.786 1.00 24.23 C ATOM 309 CD1 ILE A 18 4.889 -6.132 -4.544 1.00 32.01 C ATOM 0 H ILE A 18 7.033 -9.202 -3.262 1.00 34.21 H new ATOM 0 HA ILE A 18 8.534 -6.919 -2.566 1.00 3.33 H new ATOM 0 HB ILE A 18 5.572 -7.589 -2.189 1.00 65.53 H new ATOM 0 HG12 ILE A 18 7.020 -6.054 -4.413 1.00 2.21 H new ATOM 0 HG13 ILE A 18 6.367 -7.674 -4.559 1.00 2.21 H new ATOM 0 HG21 ILE A 18 5.150 -5.146 -2.066 1.00 24.23 H new ATOM 0 HG22 ILE A 18 6.145 -5.724 -0.709 1.00 24.23 H new ATOM 0 HG23 ILE A 18 6.905 -4.851 -2.062 1.00 24.23 H new ATOM 0 HD11 ILE A 18 4.897 -6.037 -5.630 1.00 32.01 H new ATOM 0 HD12 ILE A 18 4.078 -6.795 -4.243 1.00 32.01 H new ATOM 0 HD13 ILE A 18 4.740 -5.150 -4.095 1.00 32.01 H new ATOM 321 N LYS A 19 7.529 -8.775 -0.039 1.00 5.31 N ATOM 322 CA LYS A 19 7.705 -9.037 1.399 1.00 1.31 C ATOM 323 C LYS A 19 9.191 -9.060 1.762 1.00 21.32 C ATOM 324 O LYS A 19 9.599 -8.396 2.698 1.00 74.43 O ATOM 325 CB LYS A 19 7.025 -10.362 1.816 1.00 13.14 C ATOM 326 CG LYS A 19 5.486 -10.284 1.866 1.00 32.15 C ATOM 327 CD LYS A 19 4.836 -11.661 2.108 1.00 53.25 C ATOM 328 CE LYS A 19 5.298 -12.325 3.419 1.00 60.32 C ATOM 329 NZ LYS A 19 4.599 -13.614 3.659 1.00 32.51 N ATOM 0 H LYS A 19 7.083 -9.540 -0.545 1.00 5.31 H new ATOM 0 HA LYS A 19 7.224 -8.227 1.947 1.00 1.31 H new ATOM 0 HB2 LYS A 19 7.317 -11.145 1.116 1.00 13.14 H new ATOM 0 HB3 LYS A 19 7.396 -10.657 2.797 1.00 13.14 H new ATOM 0 HG2 LYS A 19 5.185 -9.599 2.658 1.00 32.15 H new ATOM 0 HG3 LYS A 19 5.115 -9.870 0.928 1.00 32.15 H new ATOM 0 HD2 LYS A 19 3.752 -11.546 2.128 1.00 53.25 H new ATOM 0 HD3 LYS A 19 5.071 -12.319 1.272 1.00 53.25 H new ATOM 0 HE2 LYS A 19 6.374 -12.496 3.381 1.00 60.32 H new ATOM 0 HE3 LYS A 19 5.112 -11.649 4.254 1.00 60.32 H new ATOM 0 HZ1 LYS A 19 4.936 -14.031 4.550 1.00 32.51 H new ATOM 0 HZ2 LYS A 19 3.574 -13.447 3.721 1.00 32.51 H new ATOM 0 HZ3 LYS A 19 4.797 -14.267 2.874 1.00 32.51 H new ATOM 343 N LYS A 20 10.001 -9.789 0.978 1.00 63.21 N ATOM 344 CA LYS A 20 11.458 -9.859 1.202 1.00 45.14 C ATOM 345 C LYS A 20 12.127 -8.487 0.971 1.00 43.32 C ATOM 346 O LYS A 20 13.077 -8.143 1.678 1.00 13.24 O ATOM 347 CB LYS A 20 12.092 -10.967 0.316 1.00 15.42 C ATOM 348 CG LYS A 20 11.713 -12.402 0.753 1.00 31.43 C ATOM 349 CD LYS A 20 12.244 -12.749 2.170 1.00 32.34 C ATOM 350 CE LYS A 20 11.641 -14.043 2.744 1.00 74.43 C ATOM 351 NZ LYS A 20 10.169 -13.936 2.922 1.00 64.42 N ATOM 0 H LYS A 20 9.674 -10.339 0.183 1.00 63.21 H new ATOM 0 HA LYS A 20 11.633 -10.126 2.244 1.00 45.14 H new ATOM 0 HB2 LYS A 20 11.780 -10.817 -0.718 1.00 15.42 H new ATOM 0 HB3 LYS A 20 13.177 -10.863 0.340 1.00 15.42 H new ATOM 0 HG2 LYS A 20 10.628 -12.509 0.738 1.00 31.43 H new ATOM 0 HG3 LYS A 20 12.113 -13.116 0.033 1.00 31.43 H new ATOM 0 HD2 LYS A 20 13.329 -12.848 2.130 1.00 32.34 H new ATOM 0 HD3 LYS A 20 12.024 -11.923 2.846 1.00 32.34 H new ATOM 0 HE2 LYS A 20 11.867 -14.876 2.078 1.00 74.43 H new ATOM 0 HE3 LYS A 20 12.108 -14.267 3.703 1.00 74.43 H new ATOM 0 HZ1 LYS A 20 9.834 -14.718 3.520 1.00 64.42 H new ATOM 0 HZ2 LYS A 20 9.939 -13.029 3.377 1.00 64.42 H new ATOM 0 HZ3 LYS A 20 9.703 -13.986 1.994 1.00 64.42 H new ATOM 365 N GLU A 21 11.576 -7.701 0.021 1.00 40.45 N ATOM 366 CA GLU A 21 12.019 -6.316 -0.247 1.00 31.31 C ATOM 367 C GLU A 21 11.838 -5.416 0.994 1.00 0.44 C ATOM 368 O GLU A 21 12.734 -4.632 1.339 1.00 55.33 O ATOM 369 CB GLU A 21 11.240 -5.709 -1.448 1.00 51.41 C ATOM 370 CG GLU A 21 11.422 -6.456 -2.782 1.00 15.13 C ATOM 371 CD GLU A 21 12.885 -6.563 -3.238 1.00 12.42 C ATOM 372 OE1 GLU A 21 13.557 -5.525 -3.320 1.00 32.25 O ATOM 373 OE2 GLU A 21 13.368 -7.678 -3.537 1.00 31.02 O ATOM 0 H GLU A 21 10.812 -8.009 -0.581 1.00 40.45 H new ATOM 0 HA GLU A 21 13.080 -6.358 -0.493 1.00 31.31 H new ATOM 0 HB2 GLU A 21 10.178 -5.689 -1.201 1.00 51.41 H new ATOM 0 HB3 GLU A 21 11.556 -4.674 -1.582 1.00 51.41 H new ATOM 0 HG2 GLU A 21 11.007 -7.459 -2.685 1.00 15.13 H new ATOM 0 HG3 GLU A 21 10.847 -5.946 -3.555 1.00 15.13 H new ATOM 380 N VAL A 22 10.673 -5.542 1.661 1.00 63.14 N ATOM 381 CA VAL A 22 10.338 -4.710 2.833 1.00 53.34 C ATOM 382 C VAL A 22 10.976 -5.252 4.128 1.00 40.20 C ATOM 383 O VAL A 22 11.244 -4.482 5.051 1.00 54.00 O ATOM 384 CB VAL A 22 8.788 -4.522 3.010 1.00 13.43 C ATOM 385 CG1 VAL A 22 8.145 -3.957 1.728 1.00 32.13 C ATOM 386 CG2 VAL A 22 8.083 -5.813 3.482 1.00 43.25 C ATOM 0 H VAL A 22 9.948 -6.213 1.407 1.00 63.14 H new ATOM 0 HA VAL A 22 10.765 -3.727 2.637 1.00 53.34 H new ATOM 0 HB VAL A 22 8.648 -3.789 3.805 1.00 13.43 H new ATOM 0 HG11 VAL A 22 7.072 -3.838 1.881 1.00 32.13 H new ATOM 0 HG12 VAL A 22 8.588 -2.989 1.495 1.00 32.13 H new ATOM 0 HG13 VAL A 22 8.319 -4.644 0.900 1.00 32.13 H new ATOM 0 HG21 VAL A 22 7.014 -5.626 3.588 1.00 43.25 H new ATOM 0 HG22 VAL A 22 8.242 -6.604 2.749 1.00 43.25 H new ATOM 0 HG23 VAL A 22 8.494 -6.122 4.443 1.00 43.25 H new ATOM 396 N GLU A 23 11.229 -6.576 4.175 1.00 70.31 N ATOM 397 CA GLU A 23 11.907 -7.239 5.315 1.00 51.33 C ATOM 398 C GLU A 23 13.386 -6.819 5.383 1.00 32.41 C ATOM 399 O GLU A 23 13.975 -6.802 6.475 1.00 33.42 O ATOM 400 CB GLU A 23 11.766 -8.789 5.231 1.00 22.02 C ATOM 401 CG GLU A 23 10.342 -9.317 5.531 1.00 25.20 C ATOM 402 CD GLU A 23 10.212 -10.845 5.380 1.00 30.43 C ATOM 403 OE1 GLU A 23 10.537 -11.581 6.339 1.00 34.43 O ATOM 404 OE2 GLU A 23 9.780 -11.325 4.306 1.00 11.15 O ATOM 0 H GLU A 23 10.970 -7.218 3.426 1.00 70.31 H new ATOM 0 HA GLU A 23 11.419 -6.915 6.234 1.00 51.33 H new ATOM 0 HB2 GLU A 23 12.059 -9.115 4.233 1.00 22.02 H new ATOM 0 HB3 GLU A 23 12.465 -9.244 5.933 1.00 22.02 H new ATOM 0 HG2 GLU A 23 10.064 -9.035 6.546 1.00 25.20 H new ATOM 0 HG3 GLU A 23 9.633 -8.831 4.860 1.00 25.20 H new ATOM 411 N ASN A 24 13.961 -6.459 4.209 1.00 55.32 N ATOM 412 CA ASN A 24 15.306 -5.833 4.108 1.00 63.04 C ATOM 413 C ASN A 24 15.386 -4.564 4.977 1.00 21.42 C ATOM 414 O ASN A 24 16.424 -4.264 5.572 1.00 63.13 O ATOM 415 CB ASN A 24 15.640 -5.441 2.634 1.00 31.04 C ATOM 416 CG ASN A 24 15.709 -6.626 1.672 1.00 75.11 C ATOM 417 OD1 ASN A 24 16.089 -7.736 2.045 1.00 14.34 O ATOM 418 ND2 ASN A 24 15.333 -6.399 0.425 1.00 53.21 N ATOM 0 H ASN A 24 13.507 -6.594 3.306 1.00 55.32 H new ATOM 0 HA ASN A 24 16.027 -6.571 4.460 1.00 63.04 H new ATOM 0 HB2 ASN A 24 14.886 -4.740 2.276 1.00 31.04 H new ATOM 0 HB3 ASN A 24 16.596 -4.917 2.617 1.00 31.04 H new ATOM 0 HD21 ASN A 24 15.353 -7.155 -0.259 1.00 53.21 H new ATOM 0 HD22 ASN A 24 15.023 -5.468 0.147 1.00 53.21 H new ATOM 425 N GLN A 25 14.266 -3.820 5.018 1.00 20.21 N ATOM 426 CA GLN A 25 14.162 -2.530 5.728 1.00 1.43 C ATOM 427 C GLN A 25 13.287 -2.630 6.997 1.00 13.13 C ATOM 428 O GLN A 25 12.982 -1.611 7.619 1.00 23.41 O ATOM 429 CB GLN A 25 13.616 -1.461 4.747 1.00 14.44 C ATOM 430 CG GLN A 25 14.494 -1.215 3.497 1.00 11.15 C ATOM 431 CD GLN A 25 15.908 -0.725 3.830 1.00 74.03 C ATOM 432 OE1 GLN A 25 16.142 0.475 3.971 1.00 63.23 O ATOM 433 NE2 GLN A 25 16.859 -1.640 3.941 1.00 52.23 N ATOM 0 H GLN A 25 13.400 -4.098 4.556 1.00 20.21 H new ATOM 0 HA GLN A 25 15.155 -2.238 6.070 1.00 1.43 H new ATOM 0 HB2 GLN A 25 12.621 -1.763 4.420 1.00 14.44 H new ATOM 0 HB3 GLN A 25 13.503 -0.520 5.285 1.00 14.44 H new ATOM 0 HG2 GLN A 25 14.564 -2.140 2.924 1.00 11.15 H new ATOM 0 HG3 GLN A 25 14.004 -0.480 2.858 1.00 11.15 H new ATOM 0 HE21 GLN A 25 16.634 -2.627 3.819 1.00 52.23 H new ATOM 0 HE22 GLN A 25 17.817 -1.357 4.149 1.00 52.23 H new ATOM 442 N GLY A 26 12.885 -3.863 7.361 1.00 31.31 N ATOM 443 CA GLY A 26 12.215 -4.130 8.641 1.00 33.24 C ATOM 444 C GLY A 26 10.780 -3.603 8.744 1.00 72.21 C ATOM 445 O GLY A 26 10.389 -3.066 9.790 1.00 15.22 O ATOM 0 H GLY A 26 13.015 -4.692 6.781 1.00 31.31 H new ATOM 0 HA2 GLY A 26 12.203 -5.207 8.810 1.00 33.24 H new ATOM 0 HA3 GLY A 26 12.807 -3.688 9.443 1.00 33.24 H new ATOM 449 N TYR A 27 10.009 -3.703 7.646 1.00 42.11 N ATOM 450 CA TYR A 27 8.558 -3.404 7.656 1.00 43.44 C ATOM 451 C TYR A 27 7.774 -4.586 8.249 1.00 11.23 C ATOM 452 O TYR A 27 8.186 -5.749 8.129 1.00 73.01 O ATOM 453 CB TYR A 27 8.022 -3.114 6.232 1.00 43.44 C ATOM 454 CG TYR A 27 8.433 -1.766 5.621 1.00 34.33 C ATOM 455 CD1 TYR A 27 9.775 -1.444 5.392 1.00 1.25 C ATOM 456 CD2 TYR A 27 7.469 -0.821 5.245 1.00 22.22 C ATOM 457 CE1 TYR A 27 10.136 -0.238 4.818 1.00 52.31 C ATOM 458 CE2 TYR A 27 7.831 0.386 4.677 1.00 23.14 C ATOM 459 CZ TYR A 27 9.163 0.672 4.463 1.00 23.24 C ATOM 460 OH TYR A 27 9.526 1.867 3.883 1.00 51.01 O ATOM 0 H TYR A 27 10.365 -3.990 6.734 1.00 42.11 H new ATOM 0 HA TYR A 27 8.418 -2.514 8.270 1.00 43.44 H new ATOM 0 HB2 TYR A 27 8.361 -3.910 5.568 1.00 43.44 H new ATOM 0 HB3 TYR A 27 6.933 -3.162 6.258 1.00 43.44 H new ATOM 0 HD1 TYR A 27 10.544 -2.150 5.669 1.00 1.25 H new ATOM 0 HD2 TYR A 27 6.423 -1.040 5.402 1.00 22.22 H new ATOM 0 HE1 TYR A 27 11.178 -0.010 4.648 1.00 52.31 H new ATOM 0 HE2 TYR A 27 7.072 1.104 4.401 1.00 23.14 H new ATOM 0 HH TYR A 27 8.723 2.395 3.692 1.00 51.01 H new ATOM 470 N GLN A 28 6.634 -4.267 8.869 1.00 41.01 N ATOM 471 CA GLN A 28 5.710 -5.247 9.452 1.00 60.14 C ATOM 472 C GLN A 28 4.723 -5.720 8.369 1.00 4.23 C ATOM 473 O GLN A 28 3.898 -4.932 7.896 1.00 63.34 O ATOM 474 CB GLN A 28 4.952 -4.572 10.632 1.00 3.54 C ATOM 475 CG GLN A 28 3.873 -5.442 11.316 1.00 61.41 C ATOM 476 CD GLN A 28 3.119 -4.732 12.455 1.00 63.21 C ATOM 477 OE1 GLN A 28 2.914 -3.418 12.342 1.00 23.11 O flip ATOM 478 NE2 GLN A 28 2.704 -5.369 13.424 1.00 24.15 N flip ATOM 0 H GLN A 28 6.321 -3.303 8.982 1.00 41.01 H new ATOM 0 HA GLN A 28 6.254 -6.114 9.826 1.00 60.14 H new ATOM 0 HB2 GLN A 28 5.681 -4.271 11.384 1.00 3.54 H new ATOM 0 HB3 GLN A 28 4.479 -3.661 10.264 1.00 3.54 H new ATOM 0 HG2 GLN A 28 3.153 -5.765 10.565 1.00 61.41 H new ATOM 0 HG3 GLN A 28 4.345 -6.341 11.713 1.00 61.41 H new ATOM 0 HE21 GLN A 28 2.875 -6.373 13.485 1.00 24.15 H new ATOM 0 HE22 GLN A 28 2.190 -4.893 14.165 1.00 24.15 H new ATOM 487 N VAL A 29 4.812 -6.999 7.981 1.00 63.44 N ATOM 488 CA VAL A 29 3.897 -7.598 6.994 1.00 30.02 C ATOM 489 C VAL A 29 2.551 -7.925 7.679 1.00 53.33 C ATOM 490 O VAL A 29 2.452 -8.896 8.438 1.00 10.04 O ATOM 491 CB VAL A 29 4.507 -8.897 6.325 1.00 72.51 C ATOM 492 CG1 VAL A 29 3.536 -9.504 5.278 1.00 75.33 C ATOM 493 CG2 VAL A 29 5.897 -8.607 5.697 1.00 4.34 C ATOM 0 H VAL A 29 5.515 -7.646 8.338 1.00 63.44 H new ATOM 0 HA VAL A 29 3.740 -6.874 6.194 1.00 30.02 H new ATOM 0 HB VAL A 29 4.646 -9.637 7.114 1.00 72.51 H new ATOM 0 HG11 VAL A 29 3.986 -10.394 4.838 1.00 75.33 H new ATOM 0 HG12 VAL A 29 2.599 -9.774 5.764 1.00 75.33 H new ATOM 0 HG13 VAL A 29 3.341 -8.771 4.495 1.00 75.33 H new ATOM 0 HG21 VAL A 29 6.290 -9.518 5.246 1.00 4.34 H new ATOM 0 HG22 VAL A 29 5.797 -7.837 4.932 1.00 4.34 H new ATOM 0 HG23 VAL A 29 6.581 -8.262 6.472 1.00 4.34 H new ATOM 503 N ARG A 30 1.545 -7.072 7.449 1.00 32.44 N ATOM 504 CA ARG A 30 0.156 -7.304 7.892 1.00 61.33 C ATOM 505 C ARG A 30 -0.754 -7.368 6.663 1.00 60.53 C ATOM 506 O ARG A 30 -0.671 -6.515 5.787 1.00 62.01 O ATOM 507 CB ARG A 30 -0.325 -6.180 8.854 1.00 45.11 C ATOM 508 CG ARG A 30 -1.771 -6.380 9.381 1.00 72.21 C ATOM 509 CD ARG A 30 -2.204 -5.327 10.420 1.00 75.43 C ATOM 510 NE ARG A 30 -2.326 -3.967 9.855 1.00 75.54 N ATOM 511 CZ ARG A 30 -1.952 -2.829 10.464 1.00 41.42 C ATOM 512 NH1 ARG A 30 -1.401 -2.843 11.683 1.00 61.13 N ATOM 513 NH2 ARG A 30 -2.174 -1.673 9.858 1.00 35.14 N ATOM 0 H ARG A 30 1.669 -6.193 6.947 1.00 32.44 H new ATOM 0 HA ARG A 30 0.114 -8.247 8.437 1.00 61.33 H new ATOM 0 HB2 ARG A 30 0.356 -6.126 9.703 1.00 45.11 H new ATOM 0 HB3 ARG A 30 -0.266 -5.223 8.336 1.00 45.11 H new ATOM 0 HG2 ARG A 30 -2.462 -6.352 8.539 1.00 72.21 H new ATOM 0 HG3 ARG A 30 -1.852 -7.372 9.827 1.00 72.21 H new ATOM 0 HD2 ARG A 30 -3.161 -5.622 10.849 1.00 75.43 H new ATOM 0 HD3 ARG A 30 -1.480 -5.311 11.235 1.00 75.43 H new ATOM 0 HE ARG A 30 -2.729 -3.885 8.922 1.00 75.54 H new ATOM 0 HH11 ARG A 30 -1.258 -3.729 12.168 1.00 61.13 H new ATOM 0 HH12 ARG A 30 -1.124 -1.968 12.128 1.00 61.13 H new ATOM 0 HH21 ARG A 30 -2.623 -1.655 8.942 1.00 35.14 H new ATOM 0 HH22 ARG A 30 -1.896 -0.800 10.307 1.00 35.14 H new ATOM 527 N ASP A 31 -1.612 -8.383 6.597 1.00 24.43 N ATOM 528 CA ASP A 31 -2.571 -8.557 5.496 1.00 4.32 C ATOM 529 C ASP A 31 -4.012 -8.337 5.990 1.00 52.35 C ATOM 530 O ASP A 31 -4.366 -8.741 7.102 1.00 74.51 O ATOM 531 CB ASP A 31 -2.408 -9.960 4.853 1.00 32.20 C ATOM 532 CG ASP A 31 -2.656 -11.124 5.829 1.00 51.51 C ATOM 533 OD1 ASP A 31 -1.711 -11.526 6.545 1.00 20.30 O ATOM 534 OD2 ASP A 31 -3.792 -11.637 5.888 1.00 4.40 O ATOM 0 H ASP A 31 -1.666 -9.114 7.306 1.00 24.43 H new ATOM 0 HA ASP A 31 -2.362 -7.808 4.732 1.00 4.32 H new ATOM 0 HB2 ASP A 31 -3.099 -10.048 4.015 1.00 32.20 H new ATOM 0 HB3 ASP A 31 -1.401 -10.048 4.446 1.00 32.20 H new ATOM 539 N VAL A 32 -4.809 -7.657 5.161 1.00 11.11 N ATOM 540 CA VAL A 32 -6.243 -7.434 5.368 1.00 61.00 C ATOM 541 C VAL A 32 -6.981 -7.900 4.109 1.00 73.14 C ATOM 542 O VAL A 32 -6.805 -7.315 3.041 1.00 71.40 O ATOM 543 CB VAL A 32 -6.547 -5.914 5.631 1.00 24.14 C ATOM 544 CG1 VAL A 32 -8.064 -5.640 5.655 1.00 63.33 C ATOM 545 CG2 VAL A 32 -5.870 -5.423 6.931 1.00 62.31 C ATOM 0 H VAL A 32 -4.463 -7.233 4.300 1.00 11.11 H new ATOM 0 HA VAL A 32 -6.576 -7.994 6.242 1.00 61.00 H new ATOM 0 HB VAL A 32 -6.123 -5.347 4.802 1.00 24.14 H new ATOM 0 HG11 VAL A 32 -8.239 -4.580 5.839 1.00 63.33 H new ATOM 0 HG12 VAL A 32 -8.499 -5.919 4.695 1.00 63.33 H new ATOM 0 HG13 VAL A 32 -8.527 -6.227 6.448 1.00 63.33 H new ATOM 0 HG21 VAL A 32 -6.099 -4.369 7.085 1.00 62.31 H new ATOM 0 HG22 VAL A 32 -6.242 -6.002 7.776 1.00 62.31 H new ATOM 0 HG23 VAL A 32 -4.791 -5.552 6.850 1.00 62.31 H new ATOM 555 N ASN A 33 -7.760 -8.974 4.222 1.00 61.54 N ATOM 556 CA ASN A 33 -8.503 -9.550 3.077 1.00 71.15 C ATOM 557 C ASN A 33 -10.033 -9.413 3.250 1.00 73.22 C ATOM 558 O ASN A 33 -10.788 -9.740 2.327 1.00 72.42 O ATOM 559 CB ASN A 33 -8.061 -11.022 2.883 1.00 52.34 C ATOM 560 CG ASN A 33 -6.579 -11.148 2.477 1.00 71.43 C ATOM 561 OD1 ASN A 33 -6.241 -11.214 1.289 1.00 13.43 O ATOM 562 ND2 ASN A 33 -5.680 -11.147 3.451 1.00 31.23 N ATOM 0 H ASN A 33 -7.901 -9.475 5.099 1.00 61.54 H new ATOM 0 HA ASN A 33 -8.262 -8.988 2.175 1.00 71.15 H new ATOM 0 HB2 ASN A 33 -8.228 -11.573 3.809 1.00 52.34 H new ATOM 0 HB3 ASN A 33 -8.684 -11.487 2.119 1.00 52.34 H new ATOM 0 HD21 ASN A 33 -4.686 -11.201 3.228 1.00 31.23 H new ATOM 0 HD22 ASN A 33 -5.982 -11.092 4.424 1.00 31.23 H new ATOM 569 N ASP A 34 -10.476 -8.906 4.423 1.00 54.13 N ATOM 570 CA ASP A 34 -11.914 -8.728 4.758 1.00 34.34 C ATOM 571 C ASP A 34 -12.139 -7.351 5.434 1.00 63.23 C ATOM 572 O ASP A 34 -11.207 -6.775 6.009 1.00 72.14 O ATOM 573 CB ASP A 34 -12.386 -9.890 5.682 1.00 21.10 C ATOM 574 CG ASP A 34 -13.915 -9.945 5.900 1.00 14.45 C ATOM 575 OD1 ASP A 34 -14.422 -9.295 6.842 1.00 32.44 O ATOM 576 OD2 ASP A 34 -14.609 -10.637 5.130 1.00 62.41 O ATOM 0 H ASP A 34 -9.847 -8.607 5.168 1.00 54.13 H new ATOM 0 HA ASP A 34 -12.505 -8.754 3.842 1.00 34.34 H new ATOM 0 HB2 ASP A 34 -12.057 -10.837 5.253 1.00 21.10 H new ATOM 0 HB3 ASP A 34 -11.896 -9.791 6.650 1.00 21.10 H new ATOM 581 N SER A 35 -13.396 -6.852 5.368 1.00 32.14 N ATOM 582 CA SER A 35 -13.795 -5.518 5.878 1.00 10.14 C ATOM 583 C SER A 35 -13.663 -5.407 7.412 1.00 1.33 C ATOM 584 O SER A 35 -13.282 -4.340 7.937 1.00 51.13 O ATOM 585 CB SER A 35 -15.241 -5.205 5.439 1.00 35.32 C ATOM 586 OG SER A 35 -15.367 -5.289 4.022 1.00 72.24 O ATOM 0 H SER A 35 -14.171 -7.370 4.954 1.00 32.14 H new ATOM 0 HA SER A 35 -13.112 -4.785 5.449 1.00 10.14 H new ATOM 0 HB2 SER A 35 -15.930 -5.905 5.912 1.00 35.32 H new ATOM 0 HB3 SER A 35 -15.520 -4.207 5.775 1.00 35.32 H new ATOM 0 HG SER A 35 -16.291 -5.089 3.763 1.00 72.24 H new ATOM 592 N ASP A 36 -13.967 -6.520 8.115 1.00 30.13 N ATOM 593 CA ASP A 36 -13.838 -6.605 9.583 1.00 4.33 C ATOM 594 C ASP A 36 -12.378 -6.394 9.985 1.00 65.14 C ATOM 595 O ASP A 36 -12.075 -5.577 10.859 1.00 20.35 O ATOM 596 CB ASP A 36 -14.348 -7.972 10.120 1.00 61.41 C ATOM 597 CG ASP A 36 -14.281 -8.077 11.663 1.00 13.11 C ATOM 598 OD1 ASP A 36 -13.221 -8.439 12.223 1.00 45.45 O ATOM 599 OD2 ASP A 36 -15.284 -7.774 12.337 1.00 54.00 O ATOM 0 H ASP A 36 -14.307 -7.379 7.682 1.00 30.13 H new ATOM 0 HA ASP A 36 -14.455 -5.823 10.025 1.00 4.33 H new ATOM 0 HB2 ASP A 36 -15.377 -8.123 9.795 1.00 61.41 H new ATOM 0 HB3 ASP A 36 -13.754 -8.774 9.680 1.00 61.41 H new ATOM 604 N GLU A 37 -11.489 -7.104 9.273 1.00 24.45 N ATOM 605 CA GLU A 37 -10.044 -7.077 9.521 1.00 50.21 C ATOM 606 C GLU A 37 -9.478 -5.664 9.286 1.00 3.11 C ATOM 607 O GLU A 37 -8.550 -5.243 9.984 1.00 34.15 O ATOM 608 CB GLU A 37 -9.337 -8.111 8.611 1.00 2.03 C ATOM 609 CG GLU A 37 -9.949 -9.530 8.676 1.00 62.23 C ATOM 610 CD GLU A 37 -9.195 -10.554 7.817 1.00 34.41 C ATOM 611 OE1 GLU A 37 -9.158 -10.389 6.584 1.00 41.02 O ATOM 612 OE2 GLU A 37 -8.618 -11.516 8.368 1.00 14.42 O ATOM 0 H GLU A 37 -11.758 -7.717 8.503 1.00 24.45 H new ATOM 0 HA GLU A 37 -9.859 -7.342 10.562 1.00 50.21 H new ATOM 0 HB2 GLU A 37 -9.374 -7.758 7.581 1.00 2.03 H new ATOM 0 HB3 GLU A 37 -8.285 -8.167 8.891 1.00 2.03 H new ATOM 0 HG2 GLU A 37 -9.955 -9.869 9.712 1.00 62.23 H new ATOM 0 HG3 GLU A 37 -10.988 -9.486 8.349 1.00 62.23 H new ATOM 619 N LEU A 38 -10.086 -4.940 8.318 1.00 4.05 N ATOM 620 CA LEU A 38 -9.715 -3.555 7.989 1.00 53.54 C ATOM 621 C LEU A 38 -9.957 -2.621 9.181 1.00 33.03 C ATOM 622 O LEU A 38 -9.014 -2.041 9.712 1.00 21.11 O ATOM 623 CB LEU A 38 -10.515 -3.044 6.758 1.00 53.02 C ATOM 624 CG LEU A 38 -10.126 -1.616 6.254 1.00 22.00 C ATOM 625 CD1 LEU A 38 -8.738 -1.608 5.587 1.00 61.33 C ATOM 626 CD2 LEU A 38 -11.209 -1.035 5.332 1.00 31.12 C ATOM 0 H LEU A 38 -10.847 -5.305 7.746 1.00 4.05 H new ATOM 0 HA LEU A 38 -8.652 -3.551 7.749 1.00 53.54 H new ATOM 0 HB2 LEU A 38 -10.379 -3.750 5.939 1.00 53.02 H new ATOM 0 HB3 LEU A 38 -11.576 -3.046 7.008 1.00 53.02 H new ATOM 0 HG LEU A 38 -10.062 -0.966 7.126 1.00 22.00 H new ATOM 0 HD11 LEU A 38 -8.502 -0.599 5.250 1.00 61.33 H new ATOM 0 HD12 LEU A 38 -7.987 -1.935 6.306 1.00 61.33 H new ATOM 0 HD13 LEU A 38 -8.741 -2.285 4.733 1.00 61.33 H new ATOM 0 HD21 LEU A 38 -10.909 -0.042 4.999 1.00 31.12 H new ATOM 0 HD22 LEU A 38 -11.337 -1.685 4.466 1.00 31.12 H new ATOM 0 HD23 LEU A 38 -12.151 -0.966 5.876 1.00 31.12 H new ATOM 638 N LYS A 39 -11.230 -2.523 9.619 1.00 1.43 N ATOM 639 CA LYS A 39 -11.626 -1.567 10.669 1.00 40.11 C ATOM 640 C LYS A 39 -10.976 -1.910 12.032 1.00 62.50 C ATOM 641 O LYS A 39 -10.716 -1.006 12.834 1.00 45.02 O ATOM 642 CB LYS A 39 -13.180 -1.420 10.725 1.00 43.21 C ATOM 643 CG LYS A 39 -14.002 -2.729 10.872 1.00 24.54 C ATOM 644 CD LYS A 39 -14.146 -3.216 12.329 1.00 22.13 C ATOM 645 CE LYS A 39 -15.034 -4.459 12.449 1.00 54.25 C ATOM 646 NZ LYS A 39 -16.416 -4.233 11.945 1.00 54.30 N ATOM 0 H LYS A 39 -11.997 -3.093 9.262 1.00 1.43 H new ATOM 0 HA LYS A 39 -11.237 -0.582 10.410 1.00 40.11 H new ATOM 0 HB2 LYS A 39 -13.430 -0.766 11.561 1.00 43.21 H new ATOM 0 HB3 LYS A 39 -13.506 -0.914 9.816 1.00 43.21 H new ATOM 0 HG2 LYS A 39 -14.995 -2.572 10.452 1.00 24.54 H new ATOM 0 HG3 LYS A 39 -13.527 -3.513 10.282 1.00 24.54 H new ATOM 0 HD2 LYS A 39 -13.159 -3.439 12.733 1.00 22.13 H new ATOM 0 HD3 LYS A 39 -14.565 -2.414 12.937 1.00 22.13 H new ATOM 0 HE2 LYS A 39 -14.579 -5.279 11.893 1.00 54.25 H new ATOM 0 HE3 LYS A 39 -15.079 -4.768 13.493 1.00 54.25 H new ATOM 0 HZ1 LYS A 39 -17.024 -5.026 12.232 1.00 54.30 H new ATOM 0 HZ2 LYS A 39 -16.790 -3.348 12.343 1.00 54.30 H new ATOM 0 HZ3 LYS A 39 -16.401 -4.166 10.907 1.00 54.30 H new ATOM 660 N LYS A 40 -10.653 -3.208 12.244 1.00 23.02 N ATOM 661 CA LYS A 40 -9.922 -3.675 13.446 1.00 23.31 C ATOM 662 C LYS A 40 -8.520 -3.011 13.541 1.00 10.34 C ATOM 663 O LYS A 40 -8.186 -2.369 14.554 1.00 72.23 O ATOM 664 CB LYS A 40 -9.769 -5.227 13.446 1.00 71.53 C ATOM 665 CG LYS A 40 -11.043 -6.046 13.769 1.00 54.43 C ATOM 666 CD LYS A 40 -11.560 -5.817 15.210 1.00 4.01 C ATOM 667 CE LYS A 40 -12.593 -6.871 15.651 1.00 41.15 C ATOM 668 NZ LYS A 40 -13.787 -6.898 14.772 1.00 31.02 N ATOM 0 H LYS A 40 -10.890 -3.956 11.592 1.00 23.02 H new ATOM 0 HA LYS A 40 -10.510 -3.382 14.316 1.00 23.31 H new ATOM 0 HB2 LYS A 40 -9.405 -5.534 12.465 1.00 71.53 H new ATOM 0 HB3 LYS A 40 -8.999 -5.494 14.170 1.00 71.53 H new ATOM 0 HG2 LYS A 40 -11.828 -5.781 13.061 1.00 54.43 H new ATOM 0 HG3 LYS A 40 -10.832 -7.106 13.629 1.00 54.43 H new ATOM 0 HD2 LYS A 40 -10.716 -5.832 15.900 1.00 4.01 H new ATOM 0 HD3 LYS A 40 -12.009 -4.826 15.276 1.00 4.01 H new ATOM 0 HE2 LYS A 40 -12.125 -7.855 15.653 1.00 41.15 H new ATOM 0 HE3 LYS A 40 -12.904 -6.664 16.675 1.00 41.15 H new ATOM 0 HZ1 LYS A 40 -14.627 -6.620 15.319 1.00 31.02 H new ATOM 0 HZ2 LYS A 40 -13.652 -6.234 13.983 1.00 31.02 H new ATOM 0 HZ3 LYS A 40 -13.920 -7.859 14.397 1.00 31.02 H new ATOM 682 N GLU A 41 -7.721 -3.158 12.463 1.00 24.12 N ATOM 683 CA GLU A 41 -6.341 -2.633 12.401 1.00 64.02 C ATOM 684 C GLU A 41 -6.337 -1.107 12.218 1.00 44.45 C ATOM 685 O GLU A 41 -5.401 -0.438 12.654 1.00 70.40 O ATOM 686 CB GLU A 41 -5.526 -3.364 11.293 1.00 12.25 C ATOM 687 CG GLU A 41 -6.067 -3.269 9.841 1.00 41.11 C ATOM 688 CD GLU A 41 -5.430 -2.159 8.973 1.00 24.24 C ATOM 689 OE1 GLU A 41 -5.920 -1.013 8.981 1.00 21.22 O ATOM 690 OE2 GLU A 41 -4.428 -2.441 8.276 1.00 1.33 O ATOM 0 H GLU A 41 -8.013 -3.642 11.614 1.00 24.12 H new ATOM 0 HA GLU A 41 -5.849 -2.836 13.352 1.00 64.02 H new ATOM 0 HB2 GLU A 41 -4.511 -2.968 11.303 1.00 12.25 H new ATOM 0 HB3 GLU A 41 -5.460 -4.418 11.561 1.00 12.25 H new ATOM 0 HG2 GLU A 41 -5.910 -4.229 9.348 1.00 41.11 H new ATOM 0 HG3 GLU A 41 -7.144 -3.104 9.881 1.00 41.11 H new ATOM 697 N MET A 42 -7.420 -0.569 11.619 1.00 43.33 N ATOM 698 CA MET A 42 -7.600 0.881 11.422 1.00 23.34 C ATOM 699 C MET A 42 -7.702 1.606 12.763 1.00 31.10 C ATOM 700 O MET A 42 -7.155 2.712 12.918 1.00 14.12 O ATOM 701 CB MET A 42 -8.856 1.186 10.549 1.00 14.13 C ATOM 702 CG MET A 42 -8.642 1.076 9.023 1.00 64.14 C ATOM 703 SD MET A 42 -8.269 2.670 8.243 1.00 63.43 S ATOM 704 CE MET A 42 -6.713 3.169 8.981 1.00 42.20 C ATOM 0 H MET A 42 -8.193 -1.129 11.259 1.00 43.33 H new ATOM 0 HA MET A 42 -6.721 1.248 10.893 1.00 23.34 H new ATOM 0 HB2 MET A 42 -9.654 0.501 10.838 1.00 14.13 H new ATOM 0 HB3 MET A 42 -9.202 2.194 10.779 1.00 14.13 H new ATOM 0 HG2 MET A 42 -7.826 0.381 8.825 1.00 64.14 H new ATOM 0 HG3 MET A 42 -9.537 0.655 8.566 1.00 64.14 H new ATOM 0 HE1 MET A 42 -6.520 4.217 8.750 1.00 42.20 H new ATOM 0 HE2 MET A 42 -6.765 3.039 10.062 1.00 42.20 H new ATOM 0 HE3 MET A 42 -5.907 2.555 8.580 1.00 42.20 H new ATOM 714 N LYS A 43 -8.404 0.978 13.735 1.00 73.41 N ATOM 715 CA LYS A 43 -8.484 1.527 15.099 1.00 43.34 C ATOM 716 C LYS A 43 -7.114 1.484 15.779 1.00 14.13 C ATOM 717 O LYS A 43 -6.779 2.399 16.501 1.00 31.15 O ATOM 718 CB LYS A 43 -9.554 0.816 15.971 1.00 24.41 C ATOM 719 CG LYS A 43 -10.970 0.846 15.377 1.00 31.22 C ATOM 720 CD LYS A 43 -11.410 2.250 14.879 1.00 4.35 C ATOM 721 CE LYS A 43 -12.714 2.201 14.068 1.00 41.41 C ATOM 722 NZ LYS A 43 -13.867 1.713 14.867 1.00 23.25 N ATOM 0 H LYS A 43 -8.914 0.105 13.599 1.00 73.41 H new ATOM 0 HA LYS A 43 -8.799 2.566 15.003 1.00 43.34 H new ATOM 0 HB2 LYS A 43 -9.256 -0.222 16.118 1.00 24.41 H new ATOM 0 HB3 LYS A 43 -9.575 1.284 16.955 1.00 24.41 H new ATOM 0 HG2 LYS A 43 -11.020 0.143 14.545 1.00 31.22 H new ATOM 0 HG3 LYS A 43 -11.678 0.499 16.130 1.00 31.22 H new ATOM 0 HD2 LYS A 43 -11.542 2.911 15.735 1.00 4.35 H new ATOM 0 HD3 LYS A 43 -10.619 2.679 14.264 1.00 4.35 H new ATOM 0 HE2 LYS A 43 -12.937 3.197 13.686 1.00 41.41 H new ATOM 0 HE3 LYS A 43 -12.575 1.552 13.203 1.00 41.41 H new ATOM 0 HZ1 LYS A 43 -14.720 1.700 14.273 1.00 23.25 H new ATOM 0 HZ2 LYS A 43 -13.669 0.752 15.211 1.00 23.25 H new ATOM 0 HZ3 LYS A 43 -14.020 2.346 15.678 1.00 23.25 H new ATOM 736 N LYS A 44 -6.310 0.443 15.492 1.00 73.31 N ATOM 737 CA LYS A 44 -4.934 0.324 16.033 1.00 51.42 C ATOM 738 C LYS A 44 -4.033 1.480 15.539 1.00 44.20 C ATOM 739 O LYS A 44 -3.181 1.980 16.288 1.00 63.22 O ATOM 740 CB LYS A 44 -4.316 -1.060 15.663 1.00 23.33 C ATOM 741 CG LYS A 44 -5.012 -2.269 16.335 1.00 61.41 C ATOM 742 CD LYS A 44 -4.937 -2.219 17.881 1.00 32.35 C ATOM 743 CE LYS A 44 -3.489 -2.275 18.405 1.00 74.21 C ATOM 744 NZ LYS A 44 -3.408 -1.957 19.854 1.00 74.24 N ATOM 0 H LYS A 44 -6.586 -0.331 14.888 1.00 73.31 H new ATOM 0 HA LYS A 44 -4.994 0.394 17.119 1.00 51.42 H new ATOM 0 HB2 LYS A 44 -4.359 -1.186 14.581 1.00 23.33 H new ATOM 0 HB3 LYS A 44 -3.262 -1.061 15.943 1.00 23.33 H new ATOM 0 HG2 LYS A 44 -6.057 -2.299 16.027 1.00 61.41 H new ATOM 0 HG3 LYS A 44 -4.550 -3.191 15.983 1.00 61.41 H new ATOM 0 HD2 LYS A 44 -5.413 -1.304 18.235 1.00 32.35 H new ATOM 0 HD3 LYS A 44 -5.502 -3.053 18.296 1.00 32.35 H new ATOM 0 HE2 LYS A 44 -3.078 -3.269 18.229 1.00 74.21 H new ATOM 0 HE3 LYS A 44 -2.873 -1.571 17.845 1.00 74.21 H new ATOM 0 HZ1 LYS A 44 -2.713 -1.198 20.005 1.00 74.24 H new ATOM 0 HZ2 LYS A 44 -4.340 -1.645 20.194 1.00 74.24 H new ATOM 0 HZ3 LYS A 44 -3.114 -2.805 20.380 1.00 74.24 H new ATOM 758 N LEU A 45 -4.257 1.909 14.285 1.00 34.35 N ATOM 759 CA LEU A 45 -3.505 3.015 13.656 1.00 35.25 C ATOM 760 C LEU A 45 -3.995 4.380 14.185 1.00 51.40 C ATOM 761 O LEU A 45 -3.213 5.334 14.284 1.00 2.11 O ATOM 762 CB LEU A 45 -3.648 2.943 12.110 1.00 33.01 C ATOM 763 CG LEU A 45 -3.300 1.566 11.452 1.00 71.15 C ATOM 764 CD1 LEU A 45 -3.382 1.631 9.914 1.00 61.42 C ATOM 765 CD2 LEU A 45 -1.934 1.029 11.934 1.00 55.54 C ATOM 0 H LEU A 45 -4.965 1.500 13.676 1.00 34.35 H new ATOM 0 HA LEU A 45 -2.451 2.912 13.916 1.00 35.25 H new ATOM 0 HB2 LEU A 45 -4.674 3.199 11.848 1.00 33.01 H new ATOM 0 HB3 LEU A 45 -3.006 3.706 11.670 1.00 33.01 H new ATOM 0 HG LEU A 45 -4.056 0.853 11.781 1.00 71.15 H new ATOM 0 HD11 LEU A 45 -3.134 0.656 9.495 1.00 61.42 H new ATOM 0 HD12 LEU A 45 -4.393 1.908 9.615 1.00 61.42 H new ATOM 0 HD13 LEU A 45 -2.677 2.375 9.543 1.00 61.42 H new ATOM 0 HD21 LEU A 45 -1.729 0.072 11.454 1.00 55.54 H new ATOM 0 HD22 LEU A 45 -1.151 1.741 11.673 1.00 55.54 H new ATOM 0 HD23 LEU A 45 -1.957 0.895 13.016 1.00 55.54 H new ATOM 777 N ALA A 46 -5.296 4.447 14.511 1.00 11.44 N ATOM 778 CA ALA A 46 -5.953 5.671 14.998 1.00 41.11 C ATOM 779 C ALA A 46 -5.660 5.928 16.491 1.00 43.33 C ATOM 780 O ALA A 46 -5.512 7.080 16.919 1.00 33.41 O ATOM 781 CB ALA A 46 -7.467 5.579 14.741 1.00 12.53 C ATOM 0 H ALA A 46 -5.926 3.648 14.444 1.00 11.44 H new ATOM 0 HA ALA A 46 -5.546 6.519 14.448 1.00 41.11 H new ATOM 0 HB1 ALA A 46 -7.953 6.485 15.102 1.00 12.53 H new ATOM 0 HB2 ALA A 46 -7.649 5.471 13.672 1.00 12.53 H new ATOM 0 HB3 ALA A 46 -7.874 4.715 15.267 1.00 12.53 H new ATOM 787 N GLU A 47 -5.593 4.836 17.264 1.00 62.42 N ATOM 788 CA GLU A 47 -5.311 4.865 18.714 1.00 53.03 C ATOM 789 C GLU A 47 -3.817 5.114 18.968 1.00 22.14 C ATOM 790 O GLU A 47 -3.449 5.854 19.890 1.00 13.14 O ATOM 791 CB GLU A 47 -5.735 3.524 19.378 1.00 25.14 C ATOM 792 CG GLU A 47 -7.253 3.232 19.388 1.00 70.53 C ATOM 793 CD GLU A 47 -7.564 1.837 19.946 1.00 61.33 C ATOM 794 OE1 GLU A 47 -7.590 1.676 21.187 1.00 22.41 O ATOM 795 OE2 GLU A 47 -7.733 0.888 19.151 1.00 43.14 O ATOM 0 H GLU A 47 -5.734 3.894 16.900 1.00 62.42 H new ATOM 0 HA GLU A 47 -5.887 5.679 19.154 1.00 53.03 H new ATOM 0 HB2 GLU A 47 -5.230 2.708 18.861 1.00 25.14 H new ATOM 0 HB3 GLU A 47 -5.376 3.520 20.407 1.00 25.14 H new ATOM 0 HG2 GLU A 47 -7.764 3.985 19.988 1.00 70.53 H new ATOM 0 HG3 GLU A 47 -7.645 3.313 18.374 1.00 70.53 H new ATOM 802 N GLU A 48 -2.965 4.473 18.146 1.00 53.30 N ATOM 803 CA GLU A 48 -1.501 4.534 18.281 1.00 24.23 C ATOM 804 C GLU A 48 -0.890 5.042 16.964 1.00 15.44 C ATOM 805 O GLU A 48 -0.409 4.250 16.141 1.00 21.45 O ATOM 806 CB GLU A 48 -0.932 3.132 18.654 1.00 72.43 C ATOM 807 CG GLU A 48 -1.551 2.486 19.908 1.00 72.42 C ATOM 808 CD GLU A 48 -1.051 1.053 20.166 1.00 11.32 C ATOM 809 OE1 GLU A 48 -1.378 0.152 19.361 1.00 30.42 O ATOM 810 OE2 GLU A 48 -0.342 0.823 21.172 1.00 42.30 O ATOM 0 H GLU A 48 -3.277 3.895 17.365 1.00 53.30 H new ATOM 0 HA GLU A 48 -1.238 5.225 19.082 1.00 24.23 H new ATOM 0 HB2 GLU A 48 -1.080 2.461 17.808 1.00 72.43 H new ATOM 0 HB3 GLU A 48 0.144 3.222 18.805 1.00 72.43 H new ATOM 0 HG2 GLU A 48 -1.324 3.104 20.776 1.00 72.42 H new ATOM 0 HG3 GLU A 48 -2.636 2.471 19.802 1.00 72.42 H new ATOM 817 N LYS A 49 -0.964 6.370 16.744 1.00 51.41 N ATOM 818 CA LYS A 49 -0.351 7.024 15.577 1.00 62.31 C ATOM 819 C LYS A 49 1.149 7.262 15.880 1.00 15.21 C ATOM 820 O LYS A 49 1.589 8.385 16.159 1.00 45.23 O ATOM 821 CB LYS A 49 -1.084 8.353 15.235 1.00 24.33 C ATOM 822 CG LYS A 49 -0.625 9.029 13.910 1.00 32.45 C ATOM 823 CD LYS A 49 -0.998 10.533 13.841 1.00 11.41 C ATOM 824 CE LYS A 49 -0.247 11.367 14.900 1.00 42.41 C ATOM 825 NZ LYS A 49 -0.642 12.800 14.884 1.00 14.21 N ATOM 0 H LYS A 49 -1.449 7.014 17.369 1.00 51.41 H new ATOM 0 HA LYS A 49 -0.443 6.382 14.701 1.00 62.31 H new ATOM 0 HB2 LYS A 49 -2.154 8.156 15.174 1.00 24.33 H new ATOM 0 HB3 LYS A 49 -0.935 9.055 16.055 1.00 24.33 H new ATOM 0 HG2 LYS A 49 0.455 8.922 13.808 1.00 32.45 H new ATOM 0 HG3 LYS A 49 -1.078 8.508 13.066 1.00 32.45 H new ATOM 0 HD2 LYS A 49 -0.768 10.918 12.847 1.00 11.41 H new ATOM 0 HD3 LYS A 49 -2.072 10.647 13.986 1.00 11.41 H new ATOM 0 HE2 LYS A 49 -0.441 10.951 15.889 1.00 42.41 H new ATOM 0 HE3 LYS A 49 0.826 11.288 14.726 1.00 42.41 H new ATOM 0 HZ1 LYS A 49 -0.109 13.315 15.613 1.00 14.21 H new ATOM 0 HZ2 LYS A 49 -0.433 13.207 13.950 1.00 14.21 H new ATOM 0 HZ3 LYS A 49 -1.661 12.881 15.077 1.00 14.21 H new ATOM 839 N ASN A 50 1.910 6.163 15.883 1.00 65.42 N ATOM 840 CA ASN A 50 3.349 6.146 16.213 1.00 24.40 C ATOM 841 C ASN A 50 4.177 5.914 14.940 1.00 31.24 C ATOM 842 O ASN A 50 3.618 5.550 13.894 1.00 12.20 O ATOM 843 CB ASN A 50 3.626 5.050 17.296 1.00 52.42 C ATOM 844 CG ASN A 50 3.137 3.628 16.931 1.00 43.33 C ATOM 845 OD1 ASN A 50 3.124 3.229 15.774 1.00 2.25 O ATOM 846 ND2 ASN A 50 2.725 2.851 17.922 1.00 4.12 N ATOM 0 H ASN A 50 1.541 5.240 15.653 1.00 65.42 H new ATOM 0 HA ASN A 50 3.646 7.110 16.627 1.00 24.40 H new ATOM 0 HB2 ASN A 50 4.699 5.011 17.485 1.00 52.42 H new ATOM 0 HB3 ASN A 50 3.149 5.353 18.228 1.00 52.42 H new ATOM 0 HD21 ASN A 50 2.392 1.907 17.725 1.00 4.12 H new ATOM 0 HD22 ASN A 50 2.741 3.197 18.882 1.00 4.12 H new ATOM 853 N PHE A 51 5.499 6.153 15.028 1.00 71.51 N ATOM 854 CA PHE A 51 6.433 5.847 13.929 1.00 52.42 C ATOM 855 C PHE A 51 6.494 4.315 13.745 1.00 4.24 C ATOM 856 O PHE A 51 7.067 3.609 14.583 1.00 53.31 O ATOM 857 CB PHE A 51 7.846 6.448 14.208 1.00 1.34 C ATOM 858 CG PHE A 51 8.869 6.193 13.090 1.00 53.44 C ATOM 859 CD1 PHE A 51 8.841 6.941 11.914 1.00 41.23 C ATOM 860 CD2 PHE A 51 9.848 5.203 13.211 1.00 25.13 C ATOM 861 CE1 PHE A 51 9.743 6.704 10.895 1.00 20.52 C ATOM 862 CE2 PHE A 51 10.750 4.965 12.189 1.00 4.34 C ATOM 863 CZ PHE A 51 10.702 5.719 11.034 1.00 21.34 C ATOM 0 H PHE A 51 5.945 6.558 15.851 1.00 71.51 H new ATOM 0 HA PHE A 51 6.076 6.305 13.006 1.00 52.42 H new ATOM 0 HB2 PHE A 51 7.748 7.523 14.358 1.00 1.34 H new ATOM 0 HB3 PHE A 51 8.229 6.030 15.139 1.00 1.34 H new ATOM 0 HD1 PHE A 51 8.101 7.719 11.798 1.00 41.23 H new ATOM 0 HD2 PHE A 51 9.901 4.615 14.115 1.00 25.13 H new ATOM 0 HE1 PHE A 51 9.699 7.289 9.988 1.00 20.52 H new ATOM 0 HE2 PHE A 51 11.493 4.188 12.295 1.00 4.34 H new ATOM 0 HZ PHE A 51 11.412 5.540 10.241 1.00 21.34 H new ATOM 873 N GLU A 52 5.857 3.818 12.674 1.00 73.24 N ATOM 874 CA GLU A 52 5.715 2.377 12.422 1.00 41.14 C ATOM 875 C GLU A 52 5.607 2.121 10.911 1.00 3.41 C ATOM 876 O GLU A 52 4.783 2.731 10.229 1.00 54.42 O ATOM 877 CB GLU A 52 4.464 1.844 13.168 1.00 54.25 C ATOM 878 CG GLU A 52 4.173 0.339 12.985 1.00 24.24 C ATOM 879 CD GLU A 52 2.899 -0.131 13.715 1.00 70.04 C ATOM 880 OE1 GLU A 52 1.847 0.536 13.575 1.00 55.33 O ATOM 881 OE2 GLU A 52 2.932 -1.180 14.400 1.00 64.20 O ATOM 0 H GLU A 52 5.426 4.404 11.959 1.00 73.24 H new ATOM 0 HA GLU A 52 6.592 1.848 12.794 1.00 41.14 H new ATOM 0 HB2 GLU A 52 4.583 2.047 14.232 1.00 54.25 H new ATOM 0 HB3 GLU A 52 3.594 2.408 12.832 1.00 54.25 H new ATOM 0 HG2 GLU A 52 4.074 0.122 11.921 1.00 24.24 H new ATOM 0 HG3 GLU A 52 5.025 -0.235 13.350 1.00 24.24 H new ATOM 888 N LYS A 53 6.458 1.228 10.405 1.00 21.15 N ATOM 889 CA LYS A 53 6.474 0.818 8.996 1.00 53.54 C ATOM 890 C LYS A 53 5.667 -0.477 8.837 1.00 32.10 C ATOM 891 O LYS A 53 5.983 -1.477 9.484 1.00 1.25 O ATOM 892 CB LYS A 53 7.938 0.613 8.537 1.00 51.11 C ATOM 893 CG LYS A 53 8.823 1.877 8.649 1.00 22.42 C ATOM 894 CD LYS A 53 10.322 1.579 8.415 1.00 34.05 C ATOM 895 CE LYS A 53 10.881 0.549 9.418 1.00 22.42 C ATOM 896 NZ LYS A 53 12.358 0.421 9.321 1.00 32.11 N ATOM 0 H LYS A 53 7.168 0.761 10.969 1.00 21.15 H new ATOM 0 HA LYS A 53 6.021 1.591 8.375 1.00 53.54 H new ATOM 0 HB2 LYS A 53 8.385 -0.183 9.132 1.00 51.11 H new ATOM 0 HB3 LYS A 53 7.938 0.275 7.501 1.00 51.11 H new ATOM 0 HG2 LYS A 53 8.486 2.617 7.923 1.00 22.42 H new ATOM 0 HG3 LYS A 53 8.695 2.319 9.637 1.00 22.42 H new ATOM 0 HD2 LYS A 53 10.461 1.206 7.400 1.00 34.05 H new ATOM 0 HD3 LYS A 53 10.891 2.506 8.495 1.00 34.05 H new ATOM 0 HE2 LYS A 53 10.609 0.845 10.431 1.00 22.42 H new ATOM 0 HE3 LYS A 53 10.420 -0.422 9.235 1.00 22.42 H new ATOM 0 HZ1 LYS A 53 12.774 0.468 10.273 1.00 32.11 H new ATOM 0 HZ2 LYS A 53 12.599 -0.491 8.882 1.00 32.11 H new ATOM 0 HZ3 LYS A 53 12.736 1.196 8.739 1.00 32.11 H new ATOM 910 N ILE A 54 4.612 -0.441 8.004 1.00 21.31 N ATOM 911 CA ILE A 54 3.725 -1.595 7.761 1.00 72.24 C ATOM 912 C ILE A 54 3.552 -1.802 6.244 1.00 21.11 C ATOM 913 O ILE A 54 3.274 -0.847 5.517 1.00 33.41 O ATOM 914 CB ILE A 54 2.285 -1.396 8.397 1.00 75.00 C ATOM 915 CG1 ILE A 54 2.368 -0.887 9.865 1.00 52.02 C ATOM 916 CG2 ILE A 54 1.468 -2.715 8.328 1.00 51.14 C ATOM 917 CD1 ILE A 54 1.029 -0.527 10.473 1.00 73.44 C ATOM 0 H ILE A 54 4.349 0.392 7.478 1.00 21.31 H new ATOM 0 HA ILE A 54 4.194 -2.460 8.230 1.00 72.24 H new ATOM 0 HB ILE A 54 1.773 -0.633 7.810 1.00 75.00 H new ATOM 0 HG12 ILE A 54 2.838 -1.656 10.478 1.00 52.02 H new ATOM 0 HG13 ILE A 54 3.017 -0.012 9.898 1.00 52.02 H new ATOM 0 HG21 ILE A 54 0.484 -2.557 8.769 1.00 51.14 H new ATOM 0 HG22 ILE A 54 1.355 -3.019 7.287 1.00 51.14 H new ATOM 0 HG23 ILE A 54 1.991 -3.496 8.879 1.00 51.14 H new ATOM 0 HD11 ILE A 54 1.175 -0.182 11.496 1.00 73.44 H new ATOM 0 HD12 ILE A 54 0.564 0.265 9.886 1.00 73.44 H new ATOM 0 HD13 ILE A 54 0.383 -1.405 10.475 1.00 73.44 H new ATOM 929 N LEU A 55 3.733 -3.040 5.778 1.00 0.41 N ATOM 930 CA LEU A 55 3.307 -3.463 4.440 1.00 52.14 C ATOM 931 C LEU A 55 1.908 -4.082 4.567 1.00 1.31 C ATOM 932 O LEU A 55 1.739 -5.045 5.319 1.00 12.13 O ATOM 933 CB LEU A 55 4.297 -4.515 3.863 1.00 52.23 C ATOM 934 CG LEU A 55 4.048 -4.925 2.373 1.00 1.10 C ATOM 935 CD1 LEU A 55 4.442 -3.783 1.421 1.00 4.31 C ATOM 936 CD2 LEU A 55 4.761 -6.250 2.010 1.00 63.41 C ATOM 0 H LEU A 55 4.180 -3.780 6.319 1.00 0.41 H new ATOM 0 HA LEU A 55 3.290 -2.607 3.765 1.00 52.14 H new ATOM 0 HB2 LEU A 55 5.310 -4.121 3.949 1.00 52.23 H new ATOM 0 HB3 LEU A 55 4.249 -5.411 4.482 1.00 52.23 H new ATOM 0 HG LEU A 55 2.980 -5.106 2.253 1.00 1.10 H new ATOM 0 HD11 LEU A 55 4.261 -4.089 0.391 1.00 4.31 H new ATOM 0 HD12 LEU A 55 3.846 -2.899 1.647 1.00 4.31 H new ATOM 0 HD13 LEU A 55 5.499 -3.550 1.550 1.00 4.31 H new ATOM 0 HD21 LEU A 55 4.561 -6.497 0.967 1.00 63.41 H new ATOM 0 HD22 LEU A 55 5.835 -6.137 2.157 1.00 63.41 H new ATOM 0 HD23 LEU A 55 4.389 -7.050 2.650 1.00 63.41 H new ATOM 948 N ILE A 56 0.906 -3.518 3.875 1.00 13.35 N ATOM 949 CA ILE A 56 -0.459 -4.085 3.836 1.00 0.53 C ATOM 950 C ILE A 56 -0.679 -4.861 2.525 1.00 75.33 C ATOM 951 O ILE A 56 -0.491 -4.317 1.438 1.00 71.01 O ATOM 952 CB ILE A 56 -1.578 -2.988 3.999 1.00 21.05 C ATOM 953 CG1 ILE A 56 -1.448 -2.247 5.374 1.00 52.43 C ATOM 954 CG2 ILE A 56 -3.009 -3.595 3.834 1.00 23.00 C ATOM 955 CD1 ILE A 56 -1.647 -3.133 6.594 1.00 4.24 C ATOM 0 H ILE A 56 1.013 -2.663 3.329 1.00 13.35 H new ATOM 0 HA ILE A 56 -0.541 -4.763 4.686 1.00 0.53 H new ATOM 0 HB ILE A 56 -1.432 -2.259 3.202 1.00 21.05 H new ATOM 0 HG12 ILE A 56 -0.461 -1.788 5.432 1.00 52.43 H new ATOM 0 HG13 ILE A 56 -2.178 -1.438 5.406 1.00 52.43 H new ATOM 0 HG21 ILE A 56 -3.754 -2.808 3.953 1.00 23.00 H new ATOM 0 HG22 ILE A 56 -3.104 -4.038 2.843 1.00 23.00 H new ATOM 0 HG23 ILE A 56 -3.168 -4.363 4.591 1.00 23.00 H new ATOM 0 HD11 ILE A 56 -1.539 -2.535 7.499 1.00 4.24 H new ATOM 0 HD12 ILE A 56 -2.644 -3.572 6.566 1.00 4.24 H new ATOM 0 HD13 ILE A 56 -0.901 -3.927 6.592 1.00 4.24 H new ATOM 967 N LYS A 57 -1.056 -6.134 2.653 1.00 2.31 N ATOM 968 CA LYS A 57 -1.488 -6.982 1.534 1.00 23.34 C ATOM 969 C LYS A 57 -3.020 -7.014 1.535 1.00 13.21 C ATOM 970 O LYS A 57 -3.618 -7.399 2.539 1.00 64.43 O ATOM 971 CB LYS A 57 -0.862 -8.408 1.726 1.00 74.33 C ATOM 972 CG LYS A 57 -1.237 -9.513 0.699 1.00 3.24 C ATOM 973 CD LYS A 57 -2.601 -10.206 0.961 1.00 15.21 C ATOM 974 CE LYS A 57 -2.840 -11.399 0.031 1.00 35.54 C ATOM 975 NZ LYS A 57 -2.765 -11.037 -1.408 1.00 12.05 N ATOM 0 H LYS A 57 -1.071 -6.616 3.552 1.00 2.31 H new ATOM 0 HA LYS A 57 -1.154 -6.598 0.570 1.00 23.34 H new ATOM 0 HB2 LYS A 57 0.223 -8.300 1.720 1.00 74.33 H new ATOM 0 HB3 LYS A 57 -1.141 -8.765 2.717 1.00 74.33 H new ATOM 0 HG2 LYS A 57 -1.254 -9.073 -0.298 1.00 3.24 H new ATOM 0 HG3 LYS A 57 -0.454 -10.271 0.699 1.00 3.24 H new ATOM 0 HD2 LYS A 57 -2.641 -10.543 1.997 1.00 15.21 H new ATOM 0 HD3 LYS A 57 -3.404 -9.481 0.831 1.00 15.21 H new ATOM 0 HE2 LYS A 57 -2.102 -12.173 0.244 1.00 35.54 H new ATOM 0 HE3 LYS A 57 -3.820 -11.826 0.242 1.00 35.54 H new ATOM 0 HZ1 LYS A 57 -3.668 -11.266 -1.871 1.00 12.05 H new ATOM 0 HZ2 LYS A 57 -2.577 -10.018 -1.500 1.00 12.05 H new ATOM 0 HZ3 LYS A 57 -1.998 -11.573 -1.861 1.00 12.05 H new ATOM 989 N SER A 58 -3.652 -6.615 0.424 1.00 60.24 N ATOM 990 CA SER A 58 -5.118 -6.656 0.285 1.00 14.33 C ATOM 991 C SER A 58 -5.500 -6.960 -1.166 1.00 23.52 C ATOM 992 O SER A 58 -4.914 -6.394 -2.094 1.00 20.22 O ATOM 993 CB SER A 58 -5.738 -5.317 0.738 1.00 4.04 C ATOM 994 OG SER A 58 -7.153 -5.329 0.610 1.00 61.14 O ATOM 0 H SER A 58 -3.168 -6.257 -0.400 1.00 60.24 H new ATOM 0 HA SER A 58 -5.509 -7.449 0.922 1.00 14.33 H new ATOM 0 HB2 SER A 58 -5.467 -5.122 1.776 1.00 4.04 H new ATOM 0 HB3 SER A 58 -5.325 -4.503 0.142 1.00 4.04 H new ATOM 0 HG SER A 58 -7.414 -4.815 -0.182 1.00 61.14 H new ATOM 1000 N ASN A 59 -6.480 -7.861 -1.346 1.00 40.43 N ATOM 1001 CA ASN A 59 -6.988 -8.252 -2.676 1.00 13.00 C ATOM 1002 C ASN A 59 -8.038 -7.237 -3.163 1.00 32.20 C ATOM 1003 O ASN A 59 -8.045 -6.851 -4.336 1.00 4.44 O ATOM 1004 CB ASN A 59 -7.587 -9.691 -2.634 1.00 51.45 C ATOM 1005 CG ASN A 59 -8.745 -9.856 -1.635 1.00 41.14 C ATOM 1006 OD1 ASN A 59 -9.913 -9.641 -1.965 1.00 13.21 O ATOM 1007 ND2 ASN A 59 -8.434 -10.226 -0.408 1.00 70.40 N ATOM 0 H ASN A 59 -6.944 -8.340 -0.574 1.00 40.43 H new ATOM 0 HA ASN A 59 -6.156 -8.253 -3.380 1.00 13.00 H new ATOM 0 HB2 ASN A 59 -7.940 -9.956 -3.631 1.00 51.45 H new ATOM 0 HB3 ASN A 59 -6.796 -10.396 -2.378 1.00 51.45 H new ATOM 0 HD21 ASN A 59 -9.167 -10.340 0.292 1.00 70.40 H new ATOM 0 HD22 ASN A 59 -7.460 -10.398 -0.159 1.00 70.40 H new ATOM 1014 N ASP A 60 -8.907 -6.798 -2.236 1.00 63.44 N ATOM 1015 CA ASP A 60 -10.035 -5.907 -2.545 1.00 33.31 C ATOM 1016 C ASP A 60 -9.572 -4.442 -2.543 1.00 2.32 C ATOM 1017 O ASP A 60 -8.872 -4.001 -1.628 1.00 2.32 O ATOM 1018 CB ASP A 60 -11.184 -6.131 -1.531 1.00 53.34 C ATOM 1019 CG ASP A 60 -12.355 -5.148 -1.722 1.00 22.21 C ATOM 1020 OD1 ASP A 60 -13.110 -5.284 -2.707 1.00 11.52 O ATOM 1021 OD2 ASP A 60 -12.507 -4.218 -0.906 1.00 65.10 O ATOM 0 H ASP A 60 -8.845 -7.052 -1.250 1.00 63.44 H new ATOM 0 HA ASP A 60 -10.411 -6.140 -3.541 1.00 33.31 H new ATOM 0 HB2 ASP A 60 -11.554 -7.152 -1.629 1.00 53.34 H new ATOM 0 HB3 ASP A 60 -10.793 -6.029 -0.519 1.00 53.34 H new ATOM 1026 N LYS A 61 -9.993 -3.706 -3.579 1.00 71.23 N ATOM 1027 CA LYS A 61 -9.602 -2.305 -3.817 1.00 70.12 C ATOM 1028 C LYS A 61 -10.302 -1.346 -2.826 1.00 10.24 C ATOM 1029 O LYS A 61 -9.720 -0.344 -2.397 1.00 72.23 O ATOM 1030 CB LYS A 61 -9.953 -1.934 -5.287 1.00 72.21 C ATOM 1031 CG LYS A 61 -11.468 -2.000 -5.601 1.00 14.24 C ATOM 1032 CD LYS A 61 -11.806 -1.814 -7.092 1.00 0.31 C ATOM 1033 CE LYS A 61 -13.312 -1.995 -7.374 1.00 61.53 C ATOM 1034 NZ LYS A 61 -13.616 -1.937 -8.828 1.00 23.25 N ATOM 0 H LYS A 61 -10.627 -4.071 -4.290 1.00 71.23 H new ATOM 0 HA LYS A 61 -8.529 -2.200 -3.655 1.00 70.12 H new ATOM 0 HB2 LYS A 61 -9.592 -0.927 -5.494 1.00 72.21 H new ATOM 0 HB3 LYS A 61 -9.422 -2.608 -5.959 1.00 72.21 H new ATOM 0 HG2 LYS A 61 -11.856 -2.963 -5.268 1.00 14.24 H new ATOM 0 HG3 LYS A 61 -11.982 -1.232 -5.024 1.00 14.24 H new ATOM 0 HD2 LYS A 61 -11.495 -0.820 -7.412 1.00 0.31 H new ATOM 0 HD3 LYS A 61 -11.238 -2.532 -7.684 1.00 0.31 H new ATOM 0 HE2 LYS A 61 -13.644 -2.952 -6.972 1.00 61.53 H new ATOM 0 HE3 LYS A 61 -13.874 -1.219 -6.855 1.00 61.53 H new ATOM 0 HZ1 LYS A 61 -14.593 -1.607 -8.966 1.00 23.25 H new ATOM 0 HZ2 LYS A 61 -12.960 -1.279 -9.294 1.00 23.25 H new ATOM 0 HZ3 LYS A 61 -13.509 -2.884 -9.243 1.00 23.25 H new ATOM 1048 N GLN A 62 -11.534 -1.703 -2.425 1.00 63.42 N ATOM 1049 CA GLN A 62 -12.424 -0.807 -1.666 1.00 35.24 C ATOM 1050 C GLN A 62 -11.947 -0.671 -0.206 1.00 10.12 C ATOM 1051 O GLN A 62 -12.201 0.350 0.438 1.00 64.54 O ATOM 1052 CB GLN A 62 -13.884 -1.326 -1.746 1.00 21.32 C ATOM 1053 CG GLN A 62 -14.473 -1.386 -3.170 1.00 44.32 C ATOM 1054 CD GLN A 62 -14.583 -0.012 -3.842 1.00 0.11 C ATOM 1055 OE1 GLN A 62 -13.658 0.443 -4.518 1.00 40.04 O ATOM 1056 NE2 GLN A 62 -15.710 0.661 -3.654 1.00 3.13 N ATOM 0 H GLN A 62 -11.940 -2.619 -2.617 1.00 63.42 H new ATOM 0 HA GLN A 62 -12.392 0.188 -2.109 1.00 35.24 H new ATOM 0 HB2 GLN A 62 -13.924 -2.324 -1.309 1.00 21.32 H new ATOM 0 HB3 GLN A 62 -14.517 -0.684 -1.133 1.00 21.32 H new ATOM 0 HG2 GLN A 62 -13.850 -2.035 -3.786 1.00 44.32 H new ATOM 0 HG3 GLN A 62 -15.462 -1.841 -3.127 1.00 44.32 H new ATOM 0 HE21 GLN A 62 -16.457 0.257 -3.089 1.00 3.13 H new ATOM 0 HE22 GLN A 62 -15.830 1.583 -4.074 1.00 3.13 H new ATOM 1065 N LEU A 63 -11.231 -1.706 0.285 1.00 34.25 N ATOM 1066 CA LEU A 63 -10.566 -1.684 1.604 1.00 71.24 C ATOM 1067 C LEU A 63 -9.530 -0.541 1.678 1.00 51.03 C ATOM 1068 O LEU A 63 -9.455 0.179 2.678 1.00 72.11 O ATOM 1069 CB LEU A 63 -9.877 -3.054 1.894 1.00 43.21 C ATOM 1070 CG LEU A 63 -10.827 -4.290 2.019 1.00 42.54 C ATOM 1071 CD1 LEU A 63 -10.038 -5.589 2.301 1.00 24.33 C ATOM 1072 CD2 LEU A 63 -11.913 -4.053 3.087 1.00 71.34 C ATOM 0 H LEU A 63 -11.098 -2.580 -0.223 1.00 34.25 H new ATOM 0 HA LEU A 63 -11.328 -1.508 2.363 1.00 71.24 H new ATOM 0 HB2 LEU A 63 -9.159 -3.252 1.098 1.00 43.21 H new ATOM 0 HB3 LEU A 63 -9.309 -2.963 2.820 1.00 43.21 H new ATOM 0 HG LEU A 63 -11.326 -4.415 1.058 1.00 42.54 H new ATOM 0 HD11 LEU A 63 -10.732 -6.426 2.381 1.00 24.33 H new ATOM 0 HD12 LEU A 63 -9.339 -5.774 1.486 1.00 24.33 H new ATOM 0 HD13 LEU A 63 -9.486 -5.484 3.235 1.00 24.33 H new ATOM 0 HD21 LEU A 63 -12.558 -4.929 3.151 1.00 71.34 H new ATOM 0 HD22 LEU A 63 -11.441 -3.879 4.054 1.00 71.34 H new ATOM 0 HD23 LEU A 63 -12.509 -3.183 2.813 1.00 71.34 H new ATOM 1084 N LEU A 64 -8.767 -0.373 0.580 1.00 4.04 N ATOM 1085 CA LEU A 64 -7.714 0.661 0.459 1.00 33.32 C ATOM 1086 C LEU A 64 -8.336 2.067 0.434 1.00 1.35 C ATOM 1087 O LEU A 64 -7.750 3.013 0.967 1.00 22.24 O ATOM 1088 CB LEU A 64 -6.840 0.436 -0.813 1.00 2.35 C ATOM 1089 CG LEU A 64 -5.838 -0.769 -0.781 1.00 32.12 C ATOM 1090 CD1 LEU A 64 -6.546 -2.121 -0.624 1.00 24.11 C ATOM 1091 CD2 LEU A 64 -4.945 -0.770 -2.030 1.00 54.41 C ATOM 0 H LEU A 64 -8.863 -0.953 -0.254 1.00 4.04 H new ATOM 0 HA LEU A 64 -7.067 0.577 1.333 1.00 33.32 H new ATOM 0 HB2 LEU A 64 -7.508 0.299 -1.664 1.00 2.35 H new ATOM 0 HB3 LEU A 64 -6.270 1.346 -0.998 1.00 2.35 H new ATOM 0 HG LEU A 64 -5.212 -0.633 0.101 1.00 32.12 H new ATOM 0 HD11 LEU A 64 -5.805 -2.920 -0.608 1.00 24.11 H new ATOM 0 HD12 LEU A 64 -7.110 -2.130 0.309 1.00 24.11 H new ATOM 0 HD13 LEU A 64 -7.227 -2.275 -1.461 1.00 24.11 H new ATOM 0 HD21 LEU A 64 -4.258 -1.615 -1.985 1.00 54.41 H new ATOM 0 HD22 LEU A 64 -5.566 -0.854 -2.922 1.00 54.41 H new ATOM 0 HD23 LEU A 64 -4.376 0.159 -2.071 1.00 54.41 H new ATOM 1103 N LYS A 65 -9.534 2.180 -0.187 1.00 23.42 N ATOM 1104 CA LYS A 65 -10.322 3.426 -0.197 1.00 24.21 C ATOM 1105 C LYS A 65 -10.644 3.876 1.240 1.00 24.22 C ATOM 1106 O LYS A 65 -10.220 4.956 1.668 1.00 44.02 O ATOM 1107 CB LYS A 65 -11.643 3.238 -1.007 1.00 55.52 C ATOM 1108 CG LYS A 65 -11.440 3.037 -2.524 1.00 33.50 C ATOM 1109 CD LYS A 65 -10.836 4.277 -3.248 1.00 42.10 C ATOM 1110 CE LYS A 65 -11.849 5.421 -3.482 1.00 13.45 C ATOM 1111 NZ LYS A 65 -12.340 6.050 -2.224 1.00 1.31 N ATOM 0 H LYS A 65 -9.976 1.411 -0.692 1.00 23.42 H new ATOM 0 HA LYS A 65 -9.724 4.199 -0.680 1.00 24.21 H new ATOM 0 HB2 LYS A 65 -12.180 2.377 -0.608 1.00 55.52 H new ATOM 0 HB3 LYS A 65 -12.278 4.110 -0.850 1.00 55.52 H new ATOM 0 HG2 LYS A 65 -10.785 2.181 -2.683 1.00 33.50 H new ATOM 0 HG3 LYS A 65 -12.399 2.793 -2.980 1.00 33.50 H new ATOM 0 HD2 LYS A 65 -10.002 4.658 -2.659 1.00 42.10 H new ATOM 0 HD3 LYS A 65 -10.430 3.962 -4.209 1.00 42.10 H new ATOM 0 HE2 LYS A 65 -11.383 6.186 -4.103 1.00 13.45 H new ATOM 0 HE3 LYS A 65 -12.701 5.032 -4.040 1.00 13.45 H new ATOM 0 HZ1 LYS A 65 -12.635 7.029 -2.417 1.00 1.31 H new ATOM 0 HZ2 LYS A 65 -13.151 5.510 -1.859 1.00 1.31 H new ATOM 0 HZ3 LYS A 65 -11.578 6.051 -1.516 1.00 1.31 H new ATOM 1125 N GLU A 66 -11.335 2.986 1.981 1.00 73.31 N ATOM 1126 CA GLU A 66 -11.820 3.257 3.352 1.00 63.23 C ATOM 1127 C GLU A 66 -10.659 3.580 4.304 1.00 54.11 C ATOM 1128 O GLU A 66 -10.769 4.497 5.135 1.00 60.33 O ATOM 1129 CB GLU A 66 -12.586 2.029 3.899 1.00 14.03 C ATOM 1130 CG GLU A 66 -13.722 1.530 3.002 1.00 51.32 C ATOM 1131 CD GLU A 66 -14.373 0.244 3.532 1.00 54.40 C ATOM 1132 OE1 GLU A 66 -15.258 0.336 4.406 1.00 12.01 O ATOM 1133 OE2 GLU A 66 -13.990 -0.859 3.086 1.00 51.24 O ATOM 0 H GLU A 66 -11.574 2.053 1.644 1.00 73.31 H new ATOM 0 HA GLU A 66 -12.483 4.120 3.299 1.00 63.23 H new ATOM 0 HB2 GLU A 66 -11.878 1.215 4.051 1.00 14.03 H new ATOM 0 HB3 GLU A 66 -12.997 2.281 4.876 1.00 14.03 H new ATOM 0 HG2 GLU A 66 -14.481 2.308 2.916 1.00 51.32 H new ATOM 0 HG3 GLU A 66 -13.335 1.350 1.999 1.00 51.32 H new ATOM 1140 N MET A 67 -9.553 2.819 4.145 1.00 14.42 N ATOM 1141 CA MET A 67 -8.352 2.950 4.976 1.00 51.05 C ATOM 1142 C MET A 67 -7.781 4.377 4.891 1.00 64.11 C ATOM 1143 O MET A 67 -7.636 5.055 5.907 1.00 71.31 O ATOM 1144 CB MET A 67 -7.263 1.912 4.558 1.00 4.42 C ATOM 1145 CG MET A 67 -6.012 1.932 5.450 1.00 32.23 C ATOM 1146 SD MET A 67 -4.660 0.901 4.847 1.00 10.30 S ATOM 1147 CE MET A 67 -5.257 -0.750 5.194 1.00 35.13 C ATOM 0 H MET A 67 -9.476 2.095 3.431 1.00 14.42 H new ATOM 0 HA MET A 67 -8.641 2.749 6.008 1.00 51.05 H new ATOM 0 HB2 MET A 67 -7.699 0.913 4.582 1.00 4.42 H new ATOM 0 HB3 MET A 67 -6.966 2.106 3.527 1.00 4.42 H new ATOM 0 HG2 MET A 67 -5.659 2.959 5.539 1.00 32.23 H new ATOM 0 HG3 MET A 67 -6.288 1.602 6.451 1.00 32.23 H new ATOM 0 HE1 MET A 67 -4.447 -1.350 5.608 1.00 35.13 H new ATOM 0 HE2 MET A 67 -6.074 -0.698 5.913 1.00 35.13 H new ATOM 0 HE3 MET A 67 -5.614 -1.209 4.272 1.00 35.13 H new ATOM 1157 N LEU A 68 -7.530 4.835 3.654 1.00 55.25 N ATOM 1158 CA LEU A 68 -6.904 6.145 3.382 1.00 64.23 C ATOM 1159 C LEU A 68 -7.825 7.330 3.744 1.00 31.44 C ATOM 1160 O LEU A 68 -7.342 8.424 4.045 1.00 13.03 O ATOM 1161 CB LEU A 68 -6.462 6.203 1.897 1.00 15.11 C ATOM 1162 CG LEU A 68 -5.342 5.188 1.508 1.00 42.11 C ATOM 1163 CD1 LEU A 68 -5.044 5.218 -0.001 1.00 72.03 C ATOM 1164 CD2 LEU A 68 -4.064 5.430 2.333 1.00 44.35 C ATOM 0 H LEU A 68 -7.755 4.308 2.810 1.00 55.25 H new ATOM 0 HA LEU A 68 -6.029 6.242 4.024 1.00 64.23 H new ATOM 0 HB2 LEU A 68 -7.332 6.022 1.266 1.00 15.11 H new ATOM 0 HB3 LEU A 68 -6.112 7.211 1.676 1.00 15.11 H new ATOM 0 HG LEU A 68 -5.711 4.190 1.745 1.00 42.11 H new ATOM 0 HD11 LEU A 68 -4.259 4.498 -0.231 1.00 72.03 H new ATOM 0 HD12 LEU A 68 -5.947 4.961 -0.555 1.00 72.03 H new ATOM 0 HD13 LEU A 68 -4.715 6.217 -0.287 1.00 72.03 H new ATOM 0 HD21 LEU A 68 -3.301 4.709 2.041 1.00 44.35 H new ATOM 0 HD22 LEU A 68 -3.698 6.440 2.149 1.00 44.35 H new ATOM 0 HD23 LEU A 68 -4.288 5.313 3.393 1.00 44.35 H new ATOM 1176 N GLU A 69 -9.144 7.095 3.731 1.00 20.43 N ATOM 1177 CA GLU A 69 -10.148 8.105 4.130 1.00 11.14 C ATOM 1178 C GLU A 69 -10.229 8.237 5.668 1.00 72.54 C ATOM 1179 O GLU A 69 -10.695 9.255 6.186 1.00 23.32 O ATOM 1180 CB GLU A 69 -11.521 7.763 3.492 1.00 22.52 C ATOM 1181 CG GLU A 69 -11.486 7.837 1.949 1.00 2.33 C ATOM 1182 CD GLU A 69 -12.796 7.435 1.259 1.00 34.44 C ATOM 1183 OE1 GLU A 69 -13.795 8.168 1.400 1.00 62.12 O ATOM 1184 OE2 GLU A 69 -12.829 6.395 0.557 1.00 61.23 O ATOM 0 H GLU A 69 -9.550 6.204 3.445 1.00 20.43 H new ATOM 0 HA GLU A 69 -9.840 9.081 3.755 1.00 11.14 H new ATOM 0 HB2 GLU A 69 -11.822 6.761 3.799 1.00 22.52 H new ATOM 0 HB3 GLU A 69 -12.276 8.452 3.869 1.00 22.52 H new ATOM 0 HG2 GLU A 69 -11.233 8.855 1.653 1.00 2.33 H new ATOM 0 HG3 GLU A 69 -10.687 7.191 1.586 1.00 2.33 H new ATOM 1191 N LEU A 70 -9.794 7.192 6.390 1.00 43.43 N ATOM 1192 CA LEU A 70 -9.604 7.243 7.856 1.00 55.45 C ATOM 1193 C LEU A 70 -8.206 7.803 8.216 1.00 62.45 C ATOM 1194 O LEU A 70 -8.047 8.498 9.230 1.00 62.44 O ATOM 1195 CB LEU A 70 -9.828 5.833 8.466 1.00 41.40 C ATOM 1196 CG LEU A 70 -11.289 5.281 8.346 1.00 44.40 C ATOM 1197 CD1 LEU A 70 -11.382 3.813 8.816 1.00 42.31 C ATOM 1198 CD2 LEU A 70 -12.290 6.181 9.113 1.00 5.22 C ATOM 0 H LEU A 70 -9.563 6.288 5.979 1.00 43.43 H new ATOM 0 HA LEU A 70 -10.341 7.923 8.284 1.00 55.45 H new ATOM 0 HB2 LEU A 70 -9.150 5.132 7.979 1.00 41.40 H new ATOM 0 HB3 LEU A 70 -9.553 5.862 9.520 1.00 41.40 H new ATOM 0 HG LEU A 70 -11.562 5.302 7.291 1.00 44.40 H new ATOM 0 HD11 LEU A 70 -12.410 3.464 8.718 1.00 42.31 H new ATOM 0 HD12 LEU A 70 -10.728 3.193 8.203 1.00 42.31 H new ATOM 0 HD13 LEU A 70 -11.073 3.745 9.859 1.00 42.31 H new ATOM 0 HD21 LEU A 70 -13.296 5.774 9.012 1.00 5.22 H new ATOM 0 HD22 LEU A 70 -12.016 6.214 10.167 1.00 5.22 H new ATOM 0 HD23 LEU A 70 -12.264 7.189 8.700 1.00 5.22 H new ATOM 1210 N ILE A 71 -7.207 7.509 7.360 1.00 34.32 N ATOM 1211 CA ILE A 71 -5.811 7.973 7.532 1.00 73.25 C ATOM 1212 C ILE A 71 -5.703 9.492 7.268 1.00 63.13 C ATOM 1213 O ILE A 71 -4.840 10.160 7.840 1.00 32.12 O ATOM 1214 CB ILE A 71 -4.821 7.150 6.603 1.00 4.01 C ATOM 1215 CG1 ILE A 71 -4.721 5.667 7.094 1.00 35.44 C ATOM 1216 CG2 ILE A 71 -3.412 7.793 6.513 1.00 12.13 C ATOM 1217 CD1 ILE A 71 -3.822 4.769 6.262 1.00 43.23 C ATOM 0 H ILE A 71 -7.344 6.940 6.525 1.00 34.32 H new ATOM 0 HA ILE A 71 -5.516 7.794 8.566 1.00 73.25 H new ATOM 0 HB ILE A 71 -5.238 7.167 5.596 1.00 4.01 H new ATOM 0 HG12 ILE A 71 -4.358 5.665 8.122 1.00 35.44 H new ATOM 0 HG13 ILE A 71 -5.723 5.238 7.109 1.00 35.44 H new ATOM 0 HG21 ILE A 71 -2.777 7.189 5.865 1.00 12.13 H new ATOM 0 HG22 ILE A 71 -3.497 8.799 6.102 1.00 12.13 H new ATOM 0 HG23 ILE A 71 -2.971 7.844 7.508 1.00 12.13 H new ATOM 0 HD11 ILE A 71 -3.821 3.764 6.684 1.00 43.23 H new ATOM 0 HD12 ILE A 71 -4.193 4.732 5.238 1.00 43.23 H new ATOM 0 HD13 ILE A 71 -2.807 5.166 6.266 1.00 43.23 H new ATOM 1229 N SER A 72 -6.602 10.037 6.424 1.00 25.34 N ATOM 1230 CA SER A 72 -6.658 11.489 6.127 1.00 34.23 C ATOM 1231 C SER A 72 -7.035 12.314 7.378 1.00 4.34 C ATOM 1232 O SER A 72 -6.694 13.498 7.482 1.00 51.13 O ATOM 1233 CB SER A 72 -7.658 11.739 4.981 1.00 14.35 C ATOM 1234 OG SER A 72 -8.947 11.270 5.328 1.00 62.31 O ATOM 0 H SER A 72 -7.307 9.490 5.930 1.00 25.34 H new ATOM 0 HA SER A 72 -5.666 11.817 5.818 1.00 34.23 H new ATOM 0 HB2 SER A 72 -7.702 12.805 4.757 1.00 14.35 H new ATOM 0 HB3 SER A 72 -7.315 11.237 4.077 1.00 14.35 H new ATOM 0 HG SER A 72 -9.567 11.439 4.588 1.00 62.31 H new ATOM 1240 N LYS A 73 -7.736 11.666 8.322 1.00 11.20 N ATOM 1241 CA LYS A 73 -8.092 12.255 9.626 1.00 41.33 C ATOM 1242 C LYS A 73 -6.883 12.247 10.590 1.00 4.13 C ATOM 1243 O LYS A 73 -6.781 13.094 11.481 1.00 31.44 O ATOM 1244 CB LYS A 73 -9.269 11.455 10.236 1.00 20.33 C ATOM 1245 CG LYS A 73 -10.544 11.440 9.359 1.00 44.22 C ATOM 1246 CD LYS A 73 -11.647 10.517 9.928 1.00 40.11 C ATOM 1247 CE LYS A 73 -12.950 10.585 9.112 1.00 42.30 C ATOM 1248 NZ LYS A 73 -12.759 10.191 7.690 1.00 2.15 N ATOM 0 H LYS A 73 -8.075 10.711 8.202 1.00 11.20 H new ATOM 0 HA LYS A 73 -8.389 13.293 9.476 1.00 41.33 H new ATOM 0 HB2 LYS A 73 -8.946 10.428 10.407 1.00 20.33 H new ATOM 0 HB3 LYS A 73 -9.516 11.878 11.210 1.00 20.33 H new ATOM 0 HG2 LYS A 73 -10.933 12.455 9.273 1.00 44.22 H new ATOM 0 HG3 LYS A 73 -10.284 11.112 8.353 1.00 44.22 H new ATOM 0 HD2 LYS A 73 -11.284 9.489 9.943 1.00 40.11 H new ATOM 0 HD3 LYS A 73 -11.854 10.797 10.961 1.00 40.11 H new ATOM 0 HE2 LYS A 73 -13.694 9.932 9.569 1.00 42.30 H new ATOM 0 HE3 LYS A 73 -13.347 11.599 9.153 1.00 42.30 H new ATOM 0 HZ1 LYS A 73 -12.875 11.025 7.080 1.00 2.15 H new ATOM 0 HZ2 LYS A 73 -11.804 9.799 7.564 1.00 2.15 H new ATOM 0 HZ3 LYS A 73 -13.465 9.473 7.431 1.00 2.15 H new ATOM 1262 N LEU A 74 -5.980 11.273 10.394 1.00 62.40 N ATOM 1263 CA LEU A 74 -4.787 11.071 11.245 1.00 53.12 C ATOM 1264 C LEU A 74 -3.607 11.944 10.768 1.00 61.21 C ATOM 1265 O LEU A 74 -2.868 12.508 11.583 1.00 13.34 O ATOM 1266 CB LEU A 74 -4.398 9.569 11.230 1.00 45.23 C ATOM 1267 CG LEU A 74 -5.506 8.591 11.730 1.00 12.33 C ATOM 1268 CD1 LEU A 74 -5.086 7.116 11.548 1.00 42.34 C ATOM 1269 CD2 LEU A 74 -5.893 8.897 13.196 1.00 62.24 C ATOM 0 H LEU A 74 -6.054 10.596 9.635 1.00 62.40 H new ATOM 0 HA LEU A 74 -5.025 11.374 12.265 1.00 53.12 H new ATOM 0 HB2 LEU A 74 -4.123 9.291 10.212 1.00 45.23 H new ATOM 0 HB3 LEU A 74 -3.510 9.434 11.848 1.00 45.23 H new ATOM 0 HG LEU A 74 -6.391 8.749 11.114 1.00 12.33 H new ATOM 0 HD11 LEU A 74 -5.882 6.464 11.907 1.00 42.34 H new ATOM 0 HD12 LEU A 74 -4.903 6.917 10.492 1.00 42.34 H new ATOM 0 HD13 LEU A 74 -4.176 6.924 12.116 1.00 42.34 H new ATOM 0 HD21 LEU A 74 -6.667 8.202 13.521 1.00 62.24 H new ATOM 0 HD22 LEU A 74 -5.016 8.788 13.834 1.00 62.24 H new ATOM 0 HD23 LEU A 74 -6.269 9.918 13.268 1.00 62.24 H new ATOM 1281 N GLY A 75 -3.469 12.054 9.437 1.00 22.45 N ATOM 1282 CA GLY A 75 -2.391 12.803 8.805 1.00 60.12 C ATOM 1283 C GLY A 75 -1.037 12.094 8.856 1.00 32.14 C ATOM 1284 O GLY A 75 -0.245 12.340 9.767 1.00 70.53 O ATOM 0 H GLY A 75 -4.110 11.620 8.773 1.00 22.45 H new ATOM 0 HA2 GLY A 75 -2.653 12.992 7.764 1.00 60.12 H new ATOM 0 HA3 GLY A 75 -2.301 13.774 9.292 1.00 60.12 H new ATOM 1288 N TYR A 76 -0.796 11.187 7.889 1.00 10.34 N ATOM 1289 CA TYR A 76 0.541 10.611 7.602 1.00 31.13 C ATOM 1290 C TYR A 76 0.565 10.032 6.175 1.00 1.30 C ATOM 1291 O TYR A 76 -0.483 9.619 5.657 1.00 43.14 O ATOM 1292 CB TYR A 76 0.997 9.551 8.660 1.00 53.13 C ATOM 1293 CG TYR A 76 0.023 8.391 8.968 1.00 23.10 C ATOM 1294 CD1 TYR A 76 -0.081 7.278 8.127 1.00 0.31 C ATOM 1295 CD2 TYR A 76 -0.762 8.394 10.127 1.00 54.33 C ATOM 1296 CE1 TYR A 76 -0.921 6.225 8.428 1.00 3.15 C ATOM 1297 CE2 TYR A 76 -1.597 7.336 10.430 1.00 51.14 C ATOM 1298 CZ TYR A 76 -1.676 6.259 9.578 1.00 33.51 C ATOM 1299 OH TYR A 76 -2.505 5.202 9.879 1.00 54.13 O ATOM 0 H TYR A 76 -1.528 10.827 7.277 1.00 10.34 H new ATOM 0 HA TYR A 76 1.266 11.422 7.672 1.00 31.13 H new ATOM 0 HB2 TYR A 76 1.939 9.119 8.321 1.00 53.13 H new ATOM 0 HB3 TYR A 76 1.204 10.074 9.594 1.00 53.13 H new ATOM 0 HD1 TYR A 76 0.509 7.242 7.223 1.00 0.31 H new ATOM 0 HD2 TYR A 76 -0.714 9.240 10.797 1.00 54.33 H new ATOM 0 HE1 TYR A 76 -0.986 5.377 7.763 1.00 3.15 H new ATOM 0 HE2 TYR A 76 -2.187 7.354 11.334 1.00 51.14 H new ATOM 0 HH TYR A 76 -2.430 4.518 9.181 1.00 54.13 H new ATOM 1309 N LYS A 77 1.764 10.009 5.547 1.00 1.44 N ATOM 1310 CA LYS A 77 1.914 9.619 4.133 1.00 64.41 C ATOM 1311 C LYS A 77 1.917 8.092 3.967 1.00 24.34 C ATOM 1312 O LYS A 77 2.598 7.372 4.710 1.00 74.11 O ATOM 1313 CB LYS A 77 3.188 10.221 3.483 1.00 72.41 C ATOM 1314 CG LYS A 77 3.214 10.032 1.945 1.00 73.41 C ATOM 1315 CD LYS A 77 4.366 10.764 1.246 1.00 63.10 C ATOM 1316 CE LYS A 77 4.313 10.578 -0.279 1.00 11.33 C ATOM 1317 NZ LYS A 77 5.434 11.252 -0.982 1.00 31.12 N ATOM 0 H LYS A 77 2.642 10.258 6.003 1.00 1.44 H new ATOM 0 HA LYS A 77 1.048 10.029 3.614 1.00 64.41 H new ATOM 0 HB2 LYS A 77 3.244 11.284 3.716 1.00 72.41 H new ATOM 0 HB3 LYS A 77 4.071 9.753 3.919 1.00 72.41 H new ATOM 0 HG2 LYS A 77 3.285 8.968 1.721 1.00 73.41 H new ATOM 0 HG3 LYS A 77 2.269 10.383 1.530 1.00 73.41 H new ATOM 0 HD2 LYS A 77 4.321 11.826 1.485 1.00 63.10 H new ATOM 0 HD3 LYS A 77 5.318 10.392 1.626 1.00 63.10 H new ATOM 0 HE2 LYS A 77 4.333 9.513 -0.511 1.00 11.33 H new ATOM 0 HE3 LYS A 77 3.367 10.969 -0.655 1.00 11.33 H new ATOM 0 HZ1 LYS A 77 5.436 10.970 -1.983 1.00 31.12 H new ATOM 0 HZ2 LYS A 77 5.317 12.283 -0.913 1.00 31.12 H new ATOM 0 HZ3 LYS A 77 6.335 10.976 -0.543 1.00 31.12 H new ATOM 1331 N VAL A 78 1.140 7.618 2.980 1.00 55.22 N ATOM 1332 CA VAL A 78 1.079 6.203 2.583 1.00 13.34 C ATOM 1333 C VAL A 78 1.477 6.069 1.098 1.00 52.32 C ATOM 1334 O VAL A 78 1.127 6.921 0.270 1.00 52.53 O ATOM 1335 CB VAL A 78 -0.363 5.618 2.826 1.00 62.12 C ATOM 1336 CG1 VAL A 78 -0.479 4.147 2.364 1.00 0.43 C ATOM 1337 CG2 VAL A 78 -0.780 5.773 4.312 1.00 54.34 C ATOM 0 H VAL A 78 0.527 8.217 2.427 1.00 55.22 H new ATOM 0 HA VAL A 78 1.778 5.631 3.193 1.00 13.34 H new ATOM 0 HB VAL A 78 -1.054 6.199 2.215 1.00 62.12 H new ATOM 0 HG11 VAL A 78 -1.490 3.786 2.551 1.00 0.43 H new ATOM 0 HG12 VAL A 78 -0.262 4.082 1.298 1.00 0.43 H new ATOM 0 HG13 VAL A 78 0.233 3.535 2.917 1.00 0.43 H new ATOM 0 HG21 VAL A 78 -1.779 5.362 4.454 1.00 54.34 H new ATOM 0 HG22 VAL A 78 -0.073 5.237 4.946 1.00 54.34 H new ATOM 0 HG23 VAL A 78 -0.781 6.829 4.581 1.00 54.34 H new ATOM 1347 N PHE A 79 2.226 4.999 0.787 1.00 53.34 N ATOM 1348 CA PHE A 79 2.706 4.678 -0.562 1.00 64.25 C ATOM 1349 C PHE A 79 1.882 3.515 -1.129 1.00 12.42 C ATOM 1350 O PHE A 79 1.928 2.413 -0.597 1.00 13.54 O ATOM 1351 CB PHE A 79 4.198 4.273 -0.498 1.00 4.53 C ATOM 1352 CG PHE A 79 5.125 5.340 0.077 1.00 11.01 C ATOM 1353 CD1 PHE A 79 5.564 6.402 -0.713 1.00 60.34 C ATOM 1354 CD2 PHE A 79 5.558 5.283 1.403 1.00 22.53 C ATOM 1355 CE1 PHE A 79 6.405 7.366 -0.204 1.00 73.14 C ATOM 1356 CE2 PHE A 79 6.401 6.250 1.909 1.00 14.31 C ATOM 1357 CZ PHE A 79 6.823 7.292 1.109 1.00 50.35 C ATOM 0 H PHE A 79 2.521 4.317 1.486 1.00 53.34 H new ATOM 0 HA PHE A 79 2.597 5.551 -1.206 1.00 64.25 H new ATOM 0 HB2 PHE A 79 4.289 3.369 0.104 1.00 4.53 H new ATOM 0 HB3 PHE A 79 4.535 4.022 -1.503 1.00 4.53 H new ATOM 0 HD1 PHE A 79 5.239 6.469 -1.741 1.00 60.34 H new ATOM 0 HD2 PHE A 79 5.230 4.474 2.039 1.00 22.53 H new ATOM 0 HE1 PHE A 79 6.737 8.179 -0.832 1.00 73.14 H new ATOM 0 HE2 PHE A 79 6.732 6.191 2.935 1.00 14.31 H new ATOM 0 HZ PHE A 79 7.480 8.049 1.510 1.00 50.35 H new ATOM 1367 N LEU A 80 1.128 3.759 -2.197 1.00 65.35 N ATOM 1368 CA LEU A 80 0.298 2.727 -2.844 1.00 50.21 C ATOM 1369 C LEU A 80 1.008 2.191 -4.098 1.00 72.20 C ATOM 1370 O LEU A 80 1.652 2.946 -4.830 1.00 2.02 O ATOM 1371 CB LEU A 80 -1.107 3.302 -3.194 1.00 72.11 C ATOM 1372 CG LEU A 80 -2.065 2.373 -4.024 1.00 74.23 C ATOM 1373 CD1 LEU A 80 -2.243 0.985 -3.385 1.00 24.42 C ATOM 1374 CD2 LEU A 80 -3.434 3.037 -4.242 1.00 23.53 C ATOM 0 H LEU A 80 1.070 4.674 -2.644 1.00 65.35 H new ATOM 0 HA LEU A 80 0.156 1.897 -2.152 1.00 50.21 H new ATOM 0 HB2 LEU A 80 -1.609 3.563 -2.262 1.00 72.11 H new ATOM 0 HB3 LEU A 80 -0.966 4.229 -3.750 1.00 72.11 H new ATOM 0 HG LEU A 80 -1.586 2.227 -4.992 1.00 74.23 H new ATOM 0 HD11 LEU A 80 -2.914 0.385 -3.999 1.00 24.42 H new ATOM 0 HD12 LEU A 80 -1.275 0.490 -3.315 1.00 24.42 H new ATOM 0 HD13 LEU A 80 -2.667 1.096 -2.387 1.00 24.42 H new ATOM 0 HD21 LEU A 80 -4.074 2.370 -4.819 1.00 23.53 H new ATOM 0 HD22 LEU A 80 -3.898 3.240 -3.277 1.00 23.53 H new ATOM 0 HD23 LEU A 80 -3.302 3.973 -4.785 1.00 23.53 H new ATOM 1386 N LEU A 81 0.888 0.876 -4.312 1.00 0.12 N ATOM 1387 CA LEU A 81 1.343 0.191 -5.518 1.00 53.42 C ATOM 1388 C LEU A 81 0.220 -0.736 -6.018 1.00 3.11 C ATOM 1389 O LEU A 81 -0.208 -1.662 -5.310 1.00 64.21 O ATOM 1390 CB LEU A 81 2.634 -0.616 -5.246 1.00 71.23 C ATOM 1391 CG LEU A 81 3.253 -1.318 -6.496 1.00 54.43 C ATOM 1392 CD1 LEU A 81 3.647 -0.290 -7.577 1.00 42.43 C ATOM 1393 CD2 LEU A 81 4.443 -2.211 -6.102 1.00 31.11 C ATOM 0 H LEU A 81 0.461 0.247 -3.632 1.00 0.12 H new ATOM 0 HA LEU A 81 1.576 0.931 -6.284 1.00 53.42 H new ATOM 0 HB2 LEU A 81 3.380 0.055 -4.819 1.00 71.23 H new ATOM 0 HB3 LEU A 81 2.418 -1.374 -4.493 1.00 71.23 H new ATOM 0 HG LEU A 81 2.489 -1.965 -6.926 1.00 54.43 H new ATOM 0 HD11 LEU A 81 4.075 -0.810 -8.434 1.00 42.43 H new ATOM 0 HD12 LEU A 81 2.762 0.263 -7.892 1.00 42.43 H new ATOM 0 HD13 LEU A 81 4.382 0.403 -7.169 1.00 42.43 H new ATOM 0 HD21 LEU A 81 4.852 -2.686 -6.994 1.00 31.11 H new ATOM 0 HD22 LEU A 81 5.214 -1.602 -5.629 1.00 31.11 H new ATOM 0 HD23 LEU A 81 4.107 -2.978 -5.404 1.00 31.11 H new ATOM 1405 N LEU A 82 -0.262 -0.443 -7.225 1.00 10.22 N ATOM 1406 CA LEU A 82 -1.288 -1.221 -7.931 1.00 42.53 C ATOM 1407 C LEU A 82 -0.602 -2.030 -9.040 1.00 22.43 C ATOM 1408 O LEU A 82 0.048 -1.435 -9.894 1.00 74.34 O ATOM 1409 CB LEU A 82 -2.316 -0.239 -8.557 1.00 44.35 C ATOM 1410 CG LEU A 82 -3.087 0.686 -7.566 1.00 22.12 C ATOM 1411 CD1 LEU A 82 -3.897 1.765 -8.327 1.00 52.32 C ATOM 1412 CD2 LEU A 82 -3.988 -0.147 -6.622 1.00 31.12 C ATOM 0 H LEU A 82 0.058 0.366 -7.757 1.00 10.22 H new ATOM 0 HA LEU A 82 -1.802 -1.895 -7.246 1.00 42.53 H new ATOM 0 HB2 LEU A 82 -1.792 0.392 -9.275 1.00 44.35 H new ATOM 0 HB3 LEU A 82 -3.046 -0.822 -9.118 1.00 44.35 H new ATOM 0 HG LEU A 82 -2.356 1.206 -6.947 1.00 22.12 H new ATOM 0 HD11 LEU A 82 -4.425 2.396 -7.612 1.00 52.32 H new ATOM 0 HD12 LEU A 82 -3.219 2.378 -8.920 1.00 52.32 H new ATOM 0 HD13 LEU A 82 -4.619 1.281 -8.985 1.00 52.32 H new ATOM 0 HD21 LEU A 82 -4.515 0.520 -5.940 1.00 31.12 H new ATOM 0 HD22 LEU A 82 -4.712 -0.709 -7.212 1.00 31.12 H new ATOM 0 HD23 LEU A 82 -3.372 -0.839 -6.048 1.00 31.12 H new ATOM 1424 N ALA A 83 -0.728 -3.367 -9.037 1.00 40.44 N ATOM 1425 CA ALA A 83 -0.115 -4.211 -10.088 1.00 71.02 C ATOM 1426 C ALA A 83 -1.145 -5.173 -10.701 1.00 31.24 C ATOM 1427 O ALA A 83 -1.613 -6.109 -10.036 1.00 20.22 O ATOM 1428 CB ALA A 83 1.093 -4.976 -9.529 1.00 11.13 C ATOM 0 H ALA A 83 -1.243 -3.888 -8.327 1.00 40.44 H new ATOM 0 HA ALA A 83 0.236 -3.556 -10.885 1.00 71.02 H new ATOM 0 HB1 ALA A 83 1.530 -5.591 -10.316 1.00 11.13 H new ATOM 0 HB2 ALA A 83 1.837 -4.267 -9.167 1.00 11.13 H new ATOM 0 HB3 ALA A 83 0.770 -5.615 -8.707 1.00 11.13 H new ATOM 1434 N ASP A 84 -1.498 -4.929 -11.968 1.00 65.11 N ATOM 1435 CA ASP A 84 -2.424 -5.789 -12.724 1.00 13.44 C ATOM 1436 C ASP A 84 -2.374 -5.422 -14.212 1.00 4.34 C ATOM 1437 O ASP A 84 -2.161 -4.253 -14.556 1.00 45.04 O ATOM 1438 CB ASP A 84 -3.878 -5.670 -12.177 1.00 12.22 C ATOM 1439 CG ASP A 84 -4.882 -6.585 -12.893 1.00 65.30 C ATOM 1440 OD1 ASP A 84 -4.608 -7.801 -13.021 1.00 20.15 O ATOM 1441 OD2 ASP A 84 -5.931 -6.104 -13.344 1.00 24.45 O ATOM 0 H ASP A 84 -1.152 -4.131 -12.501 1.00 65.11 H new ATOM 0 HA ASP A 84 -2.111 -6.826 -12.602 1.00 13.44 H new ATOM 0 HB2 ASP A 84 -3.877 -5.908 -11.113 1.00 12.22 H new ATOM 0 HB3 ASP A 84 -4.210 -4.636 -12.272 1.00 12.22 H new ATOM 1446 N GLN A 85 -2.573 -6.437 -15.078 1.00 62.00 N ATOM 1447 CA GLN A 85 -2.533 -6.272 -16.538 1.00 22.13 C ATOM 1448 C GLN A 85 -3.733 -5.440 -17.019 1.00 42.43 C ATOM 1449 O GLN A 85 -3.592 -4.614 -17.927 1.00 2.31 O ATOM 1450 CB GLN A 85 -2.490 -7.652 -17.244 1.00 54.42 C ATOM 1451 CG GLN A 85 -1.281 -8.526 -16.852 1.00 30.33 C ATOM 1452 CD GLN A 85 -1.171 -9.814 -17.676 1.00 51.53 C ATOM 1453 OE1 GLN A 85 -1.709 -10.855 -17.301 1.00 35.34 O ATOM 1454 NE2 GLN A 85 -0.493 -9.742 -18.813 1.00 10.14 N ATOM 0 H GLN A 85 -2.766 -7.393 -14.780 1.00 62.00 H new ATOM 0 HA GLN A 85 -1.622 -5.734 -16.801 1.00 22.13 H new ATOM 0 HB2 GLN A 85 -3.407 -8.195 -17.012 1.00 54.42 H new ATOM 0 HB3 GLN A 85 -2.476 -7.495 -18.323 1.00 54.42 H new ATOM 0 HG2 GLN A 85 -0.367 -7.945 -16.975 1.00 30.33 H new ATOM 0 HG3 GLN A 85 -1.355 -8.784 -15.796 1.00 30.33 H new ATOM 0 HE21 GLN A 85 -0.059 -8.862 -19.093 1.00 10.14 H new ATOM 0 HE22 GLN A 85 -0.405 -10.566 -19.407 1.00 10.14 H new ATOM 1463 N ASP A 86 -4.912 -5.662 -16.394 1.00 33.30 N ATOM 1464 CA ASP A 86 -6.101 -4.820 -16.626 1.00 35.24 C ATOM 1465 C ASP A 86 -5.965 -3.535 -15.789 1.00 24.23 C ATOM 1466 O ASP A 86 -6.507 -3.401 -14.680 1.00 54.35 O ATOM 1467 CB ASP A 86 -7.428 -5.563 -16.314 1.00 71.14 C ATOM 1468 CG ASP A 86 -8.675 -4.718 -16.661 1.00 3.14 C ATOM 1469 OD1 ASP A 86 -8.976 -4.564 -17.865 1.00 21.45 O ATOM 1470 OD2 ASP A 86 -9.354 -4.200 -15.741 1.00 34.15 O ATOM 0 H ASP A 86 -5.062 -6.418 -15.726 1.00 33.30 H new ATOM 0 HA ASP A 86 -6.147 -4.568 -17.685 1.00 35.24 H new ATOM 0 HB2 ASP A 86 -7.458 -6.497 -16.875 1.00 71.14 H new ATOM 0 HB3 ASP A 86 -7.454 -5.826 -15.256 1.00 71.14 H new ATOM 1475 N GLU A 87 -5.182 -2.608 -16.341 1.00 10.44 N ATOM 1476 CA GLU A 87 -4.865 -1.323 -15.715 1.00 63.30 C ATOM 1477 C GLU A 87 -6.033 -0.339 -15.800 1.00 31.42 C ATOM 1478 O GLU A 87 -6.000 0.689 -15.137 1.00 61.41 O ATOM 1479 CB GLU A 87 -3.619 -0.717 -16.363 1.00 34.11 C ATOM 1480 CG GLU A 87 -3.762 -0.370 -17.854 1.00 23.43 C ATOM 1481 CD GLU A 87 -2.500 0.283 -18.415 1.00 31.43 C ATOM 1482 OE1 GLU A 87 -1.539 -0.447 -18.750 1.00 24.14 O ATOM 1483 OE2 GLU A 87 -2.435 1.531 -18.475 1.00 43.31 O ATOM 0 H GLU A 87 -4.742 -2.731 -17.253 1.00 10.44 H new ATOM 0 HA GLU A 87 -4.672 -1.511 -14.659 1.00 63.30 H new ATOM 0 HB2 GLU A 87 -3.350 0.189 -15.819 1.00 34.11 H new ATOM 0 HB3 GLU A 87 -2.791 -1.417 -16.247 1.00 34.11 H new ATOM 0 HG2 GLU A 87 -3.982 -1.277 -18.417 1.00 23.43 H new ATOM 0 HG3 GLU A 87 -4.609 0.303 -17.990 1.00 23.43 H new ATOM 1490 N ASN A 88 -7.036 -0.660 -16.645 1.00 23.02 N ATOM 1491 CA ASN A 88 -8.266 0.146 -16.803 1.00 45.13 C ATOM 1492 C ASN A 88 -8.975 0.324 -15.442 1.00 64.24 C ATOM 1493 O ASN A 88 -9.527 1.396 -15.140 1.00 53.41 O ATOM 1494 CB ASN A 88 -9.205 -0.530 -17.840 1.00 53.33 C ATOM 1495 CG ASN A 88 -10.473 0.286 -18.138 1.00 12.01 C ATOM 1496 OD1 ASN A 88 -10.464 1.168 -18.998 1.00 14.41 O ATOM 1497 ND2 ASN A 88 -11.569 -0.002 -17.444 1.00 71.20 N ATOM 0 H ASN A 88 -7.015 -1.489 -17.239 1.00 23.02 H new ATOM 0 HA ASN A 88 -8.000 1.137 -17.170 1.00 45.13 H new ATOM 0 HB2 ASN A 88 -8.656 -0.686 -18.769 1.00 53.33 H new ATOM 0 HB3 ASN A 88 -9.494 -1.514 -17.471 1.00 53.33 H new ATOM 0 HD21 ASN A 88 -12.432 0.513 -17.617 1.00 71.20 H new ATOM 0 HD22 ASN A 88 -11.547 -0.738 -16.738 1.00 71.20 H new ATOM 1504 N GLU A 89 -8.923 -0.745 -14.627 1.00 63.03 N ATOM 1505 CA GLU A 89 -9.385 -0.736 -13.231 1.00 2.30 C ATOM 1506 C GLU A 89 -8.516 0.204 -12.363 1.00 3.14 C ATOM 1507 O GLU A 89 -9.033 1.081 -11.650 1.00 74.31 O ATOM 1508 CB GLU A 89 -9.336 -2.185 -12.678 1.00 13.34 C ATOM 1509 CG GLU A 89 -9.741 -2.348 -11.196 1.00 24.23 C ATOM 1510 CD GLU A 89 -11.190 -1.933 -10.915 1.00 51.31 C ATOM 1511 OE1 GLU A 89 -12.118 -2.675 -11.290 1.00 13.13 O ATOM 1512 OE2 GLU A 89 -11.417 -0.852 -10.326 1.00 23.34 O ATOM 0 H GLU A 89 -8.555 -1.648 -14.924 1.00 63.03 H new ATOM 0 HA GLU A 89 -10.408 -0.362 -13.195 1.00 2.30 H new ATOM 0 HB2 GLU A 89 -9.991 -2.809 -13.286 1.00 13.34 H new ATOM 0 HB3 GLU A 89 -8.324 -2.569 -12.804 1.00 13.34 H new ATOM 0 HG2 GLU A 89 -9.605 -3.389 -10.901 1.00 24.23 H new ATOM 0 HG3 GLU A 89 -9.072 -1.751 -10.576 1.00 24.23 H new ATOM 1519 N LEU A 90 -7.188 0.027 -12.476 1.00 52.14 N ATOM 1520 CA LEU A 90 -6.189 0.754 -11.663 1.00 73.42 C ATOM 1521 C LEU A 90 -6.104 2.242 -12.061 1.00 11.23 C ATOM 1522 O LEU A 90 -5.609 3.065 -11.292 1.00 54.10 O ATOM 1523 CB LEU A 90 -4.791 0.090 -11.824 1.00 55.51 C ATOM 1524 CG LEU A 90 -4.720 -1.460 -11.622 1.00 21.34 C ATOM 1525 CD1 LEU A 90 -3.270 -1.971 -11.805 1.00 51.44 C ATOM 1526 CD2 LEU A 90 -5.310 -1.885 -10.254 1.00 21.41 C ATOM 0 H LEU A 90 -6.772 -0.628 -13.138 1.00 52.14 H new ATOM 0 HA LEU A 90 -6.507 0.701 -10.622 1.00 73.42 H new ATOM 0 HB2 LEU A 90 -4.418 0.320 -12.822 1.00 55.51 H new ATOM 0 HB3 LEU A 90 -4.109 0.557 -11.113 1.00 55.51 H new ATOM 0 HG LEU A 90 -5.337 -1.927 -12.390 1.00 21.34 H new ATOM 0 HD11 LEU A 90 -3.244 -3.051 -11.660 1.00 51.44 H new ATOM 0 HD12 LEU A 90 -2.924 -1.731 -12.810 1.00 51.44 H new ATOM 0 HD13 LEU A 90 -2.620 -1.491 -11.073 1.00 51.44 H new ATOM 0 HD21 LEU A 90 -5.243 -2.968 -10.150 1.00 21.41 H new ATOM 0 HD22 LEU A 90 -4.748 -1.408 -9.451 1.00 21.41 H new ATOM 0 HD23 LEU A 90 -6.355 -1.579 -10.197 1.00 21.41 H new ATOM 1538 N GLU A 91 -6.595 2.556 -13.273 1.00 52.42 N ATOM 1539 CA GLU A 91 -6.498 3.890 -13.872 1.00 33.41 C ATOM 1540 C GLU A 91 -7.467 4.861 -13.189 1.00 64.34 C ATOM 1541 O GLU A 91 -7.115 6.006 -12.919 1.00 45.44 O ATOM 1542 CB GLU A 91 -6.774 3.805 -15.398 1.00 15.51 C ATOM 1543 CG GLU A 91 -6.592 5.126 -16.173 1.00 4.30 C ATOM 1544 CD GLU A 91 -5.194 5.746 -16.002 1.00 72.14 C ATOM 1545 OE1 GLU A 91 -4.224 5.226 -16.585 1.00 2.44 O ATOM 1546 OE2 GLU A 91 -5.056 6.766 -15.297 1.00 52.51 O ATOM 0 H GLU A 91 -7.075 1.880 -13.867 1.00 52.42 H new ATOM 0 HA GLU A 91 -5.488 4.272 -13.724 1.00 33.41 H new ATOM 0 HB2 GLU A 91 -6.111 3.055 -15.830 1.00 15.51 H new ATOM 0 HB3 GLU A 91 -7.795 3.452 -15.547 1.00 15.51 H new ATOM 0 HG2 GLU A 91 -6.774 4.945 -17.232 1.00 4.30 H new ATOM 0 HG3 GLU A 91 -7.343 5.842 -15.838 1.00 4.30 H new ATOM 1553 N GLU A 92 -8.687 4.386 -12.910 1.00 31.14 N ATOM 1554 CA GLU A 92 -9.661 5.145 -12.112 1.00 41.01 C ATOM 1555 C GLU A 92 -9.199 5.239 -10.655 1.00 4.42 C ATOM 1556 O GLU A 92 -9.243 6.318 -10.048 1.00 31.11 O ATOM 1557 CB GLU A 92 -11.063 4.486 -12.194 1.00 51.31 C ATOM 1558 CG GLU A 92 -11.812 4.763 -13.505 1.00 11.32 C ATOM 1559 CD GLU A 92 -12.127 6.259 -13.693 1.00 42.32 C ATOM 1560 OE1 GLU A 92 -13.000 6.781 -12.966 1.00 60.43 O ATOM 1561 OE2 GLU A 92 -11.491 6.921 -14.539 1.00 24.33 O ATOM 0 H GLU A 92 -9.025 3.477 -13.226 1.00 31.14 H new ATOM 0 HA GLU A 92 -9.730 6.153 -12.520 1.00 41.01 H new ATOM 0 HB2 GLU A 92 -10.953 3.408 -12.072 1.00 51.31 H new ATOM 0 HB3 GLU A 92 -11.669 4.841 -11.360 1.00 51.31 H new ATOM 0 HG2 GLU A 92 -11.212 4.412 -14.345 1.00 11.32 H new ATOM 0 HG3 GLU A 92 -12.742 4.194 -13.517 1.00 11.32 H new ATOM 1568 N PHE A 93 -8.717 4.098 -10.131 1.00 71.31 N ATOM 1569 CA PHE A 93 -8.371 3.943 -8.714 1.00 3.43 C ATOM 1570 C PHE A 93 -7.245 4.910 -8.302 1.00 33.23 C ATOM 1571 O PHE A 93 -7.350 5.585 -7.266 1.00 34.32 O ATOM 1572 CB PHE A 93 -7.973 2.472 -8.416 1.00 24.02 C ATOM 1573 CG PHE A 93 -7.981 2.135 -6.924 1.00 61.20 C ATOM 1574 CD1 PHE A 93 -9.180 1.859 -6.273 1.00 30.34 C ATOM 1575 CD2 PHE A 93 -6.808 2.115 -6.170 1.00 24.14 C ATOM 1576 CE1 PHE A 93 -9.200 1.572 -4.928 1.00 24.22 C ATOM 1577 CE2 PHE A 93 -6.833 1.823 -4.822 1.00 53.24 C ATOM 1578 CZ PHE A 93 -8.026 1.554 -4.202 1.00 20.15 C ATOM 0 H PHE A 93 -8.557 3.256 -10.684 1.00 71.31 H new ATOM 0 HA PHE A 93 -9.251 4.193 -8.121 1.00 3.43 H new ATOM 0 HB2 PHE A 93 -8.660 1.804 -8.936 1.00 24.02 H new ATOM 0 HB3 PHE A 93 -6.978 2.283 -8.819 1.00 24.02 H new ATOM 0 HD1 PHE A 93 -10.105 1.870 -6.830 1.00 30.34 H new ATOM 0 HD2 PHE A 93 -5.865 2.332 -6.649 1.00 24.14 H new ATOM 0 HE1 PHE A 93 -10.139 1.360 -4.438 1.00 24.22 H new ATOM 0 HE2 PHE A 93 -5.914 1.806 -4.255 1.00 53.24 H new ATOM 0 HZ PHE A 93 -8.047 1.328 -3.146 1.00 20.15 H new ATOM 1588 N LYS A 94 -6.197 5.000 -9.149 1.00 72.10 N ATOM 1589 CA LYS A 94 -5.018 5.848 -8.885 1.00 2.35 C ATOM 1590 C LYS A 94 -5.401 7.336 -8.761 1.00 14.13 C ATOM 1591 O LYS A 94 -4.817 8.059 -7.962 1.00 45.22 O ATOM 1592 CB LYS A 94 -3.926 5.684 -9.988 1.00 74.54 C ATOM 1593 CG LYS A 94 -4.304 6.244 -11.380 1.00 71.33 C ATOM 1594 CD LYS A 94 -3.136 6.248 -12.390 1.00 12.14 C ATOM 1595 CE LYS A 94 -2.686 4.845 -12.796 1.00 64.34 C ATOM 1596 NZ LYS A 94 -1.519 4.884 -13.721 1.00 11.10 N ATOM 0 H LYS A 94 -6.146 4.489 -10.030 1.00 72.10 H new ATOM 0 HA LYS A 94 -4.607 5.510 -7.933 1.00 2.35 H new ATOM 0 HB2 LYS A 94 -3.015 6.178 -9.651 1.00 74.54 H new ATOM 0 HB3 LYS A 94 -3.694 4.624 -10.092 1.00 74.54 H new ATOM 0 HG2 LYS A 94 -5.123 5.652 -11.789 1.00 71.33 H new ATOM 0 HG3 LYS A 94 -4.674 7.263 -11.263 1.00 71.33 H new ATOM 0 HD2 LYS A 94 -3.437 6.798 -13.282 1.00 12.14 H new ATOM 0 HD3 LYS A 94 -2.291 6.782 -11.956 1.00 12.14 H new ATOM 0 HE2 LYS A 94 -2.424 4.275 -11.904 1.00 64.34 H new ATOM 0 HE3 LYS A 94 -3.513 4.323 -13.277 1.00 64.34 H new ATOM 0 HZ1 LYS A 94 -1.442 3.976 -14.221 1.00 11.10 H new ATOM 0 HZ2 LYS A 94 -1.649 5.650 -14.412 1.00 11.10 H new ATOM 0 HZ3 LYS A 94 -0.650 5.054 -13.176 1.00 11.10 H new ATOM 1610 N ARG A 95 -6.409 7.765 -9.546 1.00 2.35 N ATOM 1611 CA ARG A 95 -6.829 9.178 -9.627 1.00 23.55 C ATOM 1612 C ARG A 95 -7.559 9.620 -8.346 1.00 52.41 C ATOM 1613 O ARG A 95 -7.459 10.781 -7.943 1.00 64.43 O ATOM 1614 CB ARG A 95 -7.719 9.393 -10.877 1.00 65.31 C ATOM 1615 CG ARG A 95 -7.012 9.073 -12.212 1.00 12.00 C ATOM 1616 CD ARG A 95 -7.914 9.248 -13.449 1.00 34.34 C ATOM 1617 NE ARG A 95 -7.235 8.770 -14.671 1.00 62.42 N ATOM 1618 CZ ARG A 95 -7.425 9.233 -15.921 1.00 74.34 C ATOM 1619 NH1 ARG A 95 -8.295 10.210 -16.163 1.00 1.34 N ATOM 1620 NH2 ARG A 95 -6.743 8.698 -16.924 1.00 0.23 N ATOM 0 H ARG A 95 -6.955 7.142 -10.141 1.00 2.35 H new ATOM 0 HA ARG A 95 -5.937 9.798 -9.721 1.00 23.55 H new ATOM 0 HB2 ARG A 95 -8.608 8.769 -10.789 1.00 65.31 H new ATOM 0 HB3 ARG A 95 -8.058 10.429 -10.896 1.00 65.31 H new ATOM 0 HG2 ARG A 95 -6.140 9.719 -12.315 1.00 12.00 H new ATOM 0 HG3 ARG A 95 -6.646 8.047 -12.182 1.00 12.00 H new ATOM 0 HD2 ARG A 95 -8.844 8.697 -13.306 1.00 34.34 H new ATOM 0 HD3 ARG A 95 -8.180 10.299 -13.564 1.00 34.34 H new ATOM 0 HE ARG A 95 -6.557 8.017 -14.557 1.00 62.42 H new ATOM 0 HH11 ARG A 95 -8.829 10.619 -15.396 1.00 1.34 H new ATOM 0 HH12 ARG A 95 -8.428 10.550 -17.115 1.00 1.34 H new ATOM 0 HH21 ARG A 95 -6.081 7.943 -16.745 1.00 0.23 H new ATOM 0 HH22 ARG A 95 -6.880 9.042 -17.875 1.00 0.23 H new ATOM 1634 N LYS A 96 -8.276 8.678 -7.711 1.00 11.12 N ATOM 1635 CA LYS A 96 -8.943 8.914 -6.415 1.00 45.54 C ATOM 1636 C LYS A 96 -7.891 9.098 -5.307 1.00 24.31 C ATOM 1637 O LYS A 96 -7.934 10.076 -4.564 1.00 14.42 O ATOM 1638 CB LYS A 96 -9.922 7.746 -6.055 1.00 61.21 C ATOM 1639 CG LYS A 96 -11.330 7.833 -6.701 1.00 33.24 C ATOM 1640 CD LYS A 96 -11.290 7.884 -8.243 1.00 23.33 C ATOM 1641 CE LYS A 96 -12.682 7.993 -8.883 1.00 4.43 C ATOM 1642 NZ LYS A 96 -12.601 8.108 -10.366 1.00 72.42 N ATOM 0 H LYS A 96 -8.411 7.736 -8.077 1.00 11.12 H new ATOM 0 HA LYS A 96 -9.535 9.826 -6.499 1.00 45.54 H new ATOM 0 HB2 LYS A 96 -9.462 6.804 -6.354 1.00 61.21 H new ATOM 0 HB3 LYS A 96 -10.039 7.714 -4.972 1.00 61.21 H new ATOM 0 HG2 LYS A 96 -11.920 6.972 -6.388 1.00 33.24 H new ATOM 0 HG3 LYS A 96 -11.840 8.721 -6.328 1.00 33.24 H new ATOM 0 HD2 LYS A 96 -10.686 8.736 -8.556 1.00 23.33 H new ATOM 0 HD3 LYS A 96 -10.795 6.988 -8.617 1.00 23.33 H new ATOM 0 HE2 LYS A 96 -13.274 7.117 -8.618 1.00 4.43 H new ATOM 0 HE3 LYS A 96 -13.201 8.862 -8.479 1.00 4.43 H new ATOM 0 HZ1 LYS A 96 -13.232 8.868 -10.690 1.00 72.42 H new ATOM 0 HZ2 LYS A 96 -11.623 8.328 -10.644 1.00 72.42 H new ATOM 0 HZ3 LYS A 96 -12.891 7.209 -10.800 1.00 72.42 H new ATOM 1656 N ILE A 97 -6.923 8.167 -5.258 1.00 15.53 N ATOM 1657 CA ILE A 97 -5.883 8.117 -4.206 1.00 21.23 C ATOM 1658 C ILE A 97 -4.914 9.318 -4.312 1.00 34.11 C ATOM 1659 O ILE A 97 -4.479 9.886 -3.293 1.00 54.40 O ATOM 1660 CB ILE A 97 -5.090 6.760 -4.296 1.00 24.42 C ATOM 1661 CG1 ILE A 97 -6.079 5.541 -4.285 1.00 25.11 C ATOM 1662 CG2 ILE A 97 -4.015 6.631 -3.189 1.00 23.41 C ATOM 1663 CD1 ILE A 97 -7.060 5.467 -3.116 1.00 25.45 C ATOM 0 H ILE A 97 -6.836 7.422 -5.949 1.00 15.53 H new ATOM 0 HA ILE A 97 -6.378 8.177 -3.237 1.00 21.23 H new ATOM 0 HB ILE A 97 -4.554 6.757 -5.245 1.00 24.42 H new ATOM 0 HG12 ILE A 97 -6.653 5.560 -5.211 1.00 25.11 H new ATOM 0 HG13 ILE A 97 -5.490 4.624 -4.294 1.00 25.11 H new ATOM 0 HG21 ILE A 97 -3.496 5.678 -3.295 1.00 23.41 H new ATOM 0 HG22 ILE A 97 -3.298 7.447 -3.281 1.00 23.41 H new ATOM 0 HG23 ILE A 97 -4.493 6.677 -2.210 1.00 23.41 H new ATOM 0 HD11 ILE A 97 -7.687 4.582 -3.223 1.00 25.45 H new ATOM 0 HD12 ILE A 97 -6.506 5.408 -2.179 1.00 25.45 H new ATOM 0 HD13 ILE A 97 -7.688 6.358 -3.111 1.00 25.45 H new ATOM 1675 N GLU A 98 -4.609 9.695 -5.560 1.00 34.12 N ATOM 1676 CA GLU A 98 -3.787 10.870 -5.886 1.00 2.13 C ATOM 1677 C GLU A 98 -4.494 12.164 -5.430 1.00 50.03 C ATOM 1678 O GLU A 98 -3.857 13.086 -4.905 1.00 73.00 O ATOM 1679 CB GLU A 98 -3.522 10.900 -7.414 1.00 31.30 C ATOM 1680 CG GLU A 98 -2.626 12.051 -7.894 1.00 3.35 C ATOM 1681 CD GLU A 98 -2.487 12.083 -9.421 1.00 51.31 C ATOM 1682 OE1 GLU A 98 -3.451 12.487 -10.105 1.00 22.01 O ATOM 1683 OE2 GLU A 98 -1.434 11.674 -9.949 1.00 72.43 O ATOM 0 H GLU A 98 -4.930 9.186 -6.384 1.00 34.12 H new ATOM 0 HA GLU A 98 -2.835 10.804 -5.359 1.00 2.13 H new ATOM 0 HB2 GLU A 98 -3.063 9.956 -7.707 1.00 31.30 H new ATOM 0 HB3 GLU A 98 -4.479 10.964 -7.932 1.00 31.30 H new ATOM 0 HG2 GLU A 98 -3.040 12.999 -7.549 1.00 3.35 H new ATOM 0 HG3 GLU A 98 -1.638 11.952 -7.444 1.00 3.35 H new ATOM 1690 N SER A 99 -5.833 12.190 -5.590 1.00 0.34 N ATOM 1691 CA SER A 99 -6.674 13.337 -5.195 1.00 45.13 C ATOM 1692 C SER A 99 -6.790 13.427 -3.657 1.00 31.42 C ATOM 1693 O SER A 99 -6.900 14.524 -3.103 1.00 14.24 O ATOM 1694 CB SER A 99 -8.071 13.227 -5.840 1.00 22.14 C ATOM 1695 OG SER A 99 -8.850 14.391 -5.608 1.00 62.20 O ATOM 0 H SER A 99 -6.360 11.417 -5.996 1.00 0.34 H new ATOM 0 HA SER A 99 -6.199 14.250 -5.553 1.00 45.13 H new ATOM 0 HB2 SER A 99 -7.965 13.068 -6.913 1.00 22.14 H new ATOM 0 HB3 SER A 99 -8.589 12.356 -5.439 1.00 22.14 H new ATOM 0 HG SER A 99 -9.728 14.287 -6.032 1.00 62.20 H new ATOM 1701 N GLN A 100 -6.739 12.257 -2.977 1.00 12.11 N ATOM 1702 CA GLN A 100 -6.728 12.172 -1.493 1.00 11.31 C ATOM 1703 C GLN A 100 -5.372 12.647 -0.915 1.00 70.21 C ATOM 1704 O GLN A 100 -5.236 12.823 0.301 1.00 52.20 O ATOM 1705 CB GLN A 100 -7.031 10.716 -1.030 1.00 50.45 C ATOM 1706 CG GLN A 100 -8.421 10.183 -1.437 1.00 12.32 C ATOM 1707 CD GLN A 100 -8.658 8.711 -1.074 1.00 73.53 C ATOM 1708 OE1 GLN A 100 -7.729 7.911 -1.003 1.00 43.32 O ATOM 1709 NE2 GLN A 100 -9.916 8.336 -0.883 1.00 3.42 N ATOM 0 H GLN A 100 -6.704 11.348 -3.438 1.00 12.11 H new ATOM 0 HA GLN A 100 -7.508 12.833 -1.114 1.00 11.31 H new ATOM 0 HB2 GLN A 100 -6.269 10.053 -1.440 1.00 50.45 H new ATOM 0 HB3 GLN A 100 -6.943 10.669 0.055 1.00 50.45 H new ATOM 0 HG2 GLN A 100 -9.187 10.792 -0.957 1.00 12.32 H new ATOM 0 HG3 GLN A 100 -8.544 10.305 -2.513 1.00 12.32 H new ATOM 0 HE21 GLN A 100 -10.668 9.022 -0.948 1.00 3.42 H new ATOM 0 HE22 GLN A 100 -10.131 7.362 -0.671 1.00 3.42 H new ATOM 1718 N GLY A 101 -4.371 12.828 -1.802 1.00 25.14 N ATOM 1719 CA GLY A 101 -3.067 13.388 -1.425 1.00 22.15 C ATOM 1720 C GLY A 101 -2.048 12.330 -1.058 1.00 25.14 C ATOM 1721 O GLY A 101 -1.017 12.642 -0.460 1.00 31.54 O ATOM 0 H GLY A 101 -4.448 12.590 -2.791 1.00 25.14 H new ATOM 0 HA2 GLY A 101 -2.681 13.983 -2.253 1.00 22.15 H new ATOM 0 HA3 GLY A 101 -3.200 14.064 -0.581 1.00 22.15 H new ATOM 1725 N TYR A 102 -2.328 11.067 -1.420 1.00 31.41 N ATOM 1726 CA TYR A 102 -1.424 9.933 -1.151 1.00 24.23 C ATOM 1727 C TYR A 102 -0.622 9.578 -2.389 1.00 72.32 C ATOM 1728 O TYR A 102 -1.032 9.881 -3.522 1.00 21.51 O ATOM 1729 CB TYR A 102 -2.220 8.702 -0.665 1.00 74.44 C ATOM 1730 CG TYR A 102 -2.901 8.948 0.675 1.00 60.23 C ATOM 1731 CD1 TYR A 102 -2.191 8.829 1.871 1.00 71.24 C ATOM 1732 CD2 TYR A 102 -4.232 9.347 0.743 1.00 14.22 C ATOM 1733 CE1 TYR A 102 -2.789 9.093 3.078 1.00 73.41 C ATOM 1734 CE2 TYR A 102 -4.830 9.618 1.950 1.00 43.10 C ATOM 1735 CZ TYR A 102 -4.105 9.487 3.110 1.00 22.50 C ATOM 1736 OH TYR A 102 -4.695 9.764 4.305 1.00 61.34 O ATOM 0 H TYR A 102 -3.185 10.802 -1.906 1.00 31.41 H new ATOM 0 HA TYR A 102 -0.733 10.235 -0.364 1.00 24.23 H new ATOM 0 HB2 TYR A 102 -2.972 8.441 -1.410 1.00 74.44 H new ATOM 0 HB3 TYR A 102 -1.548 7.848 -0.577 1.00 74.44 H new ATOM 0 HD1 TYR A 102 -1.155 8.524 1.846 1.00 71.24 H new ATOM 0 HD2 TYR A 102 -4.804 9.445 -0.168 1.00 14.22 H new ATOM 0 HE1 TYR A 102 -2.229 8.992 3.996 1.00 73.41 H new ATOM 0 HE2 TYR A 102 -5.863 9.932 1.987 1.00 43.10 H new ATOM 0 HH TYR A 102 -5.569 9.324 4.348 1.00 61.34 H new ATOM 1746 N GLU A 103 0.530 8.936 -2.151 1.00 23.24 N ATOM 1747 CA GLU A 103 1.391 8.442 -3.213 1.00 1.15 C ATOM 1748 C GLU A 103 0.724 7.215 -3.845 1.00 43.31 C ATOM 1749 O GLU A 103 0.271 6.327 -3.119 1.00 71.43 O ATOM 1750 CB GLU A 103 2.786 8.071 -2.640 1.00 61.22 C ATOM 1751 CG GLU A 103 3.892 7.911 -3.699 1.00 3.45 C ATOM 1752 CD GLU A 103 4.239 9.246 -4.382 1.00 50.40 C ATOM 1753 OE1 GLU A 103 4.939 10.072 -3.750 1.00 70.23 O ATOM 1754 OE2 GLU A 103 3.787 9.493 -5.526 1.00 74.41 O ATOM 0 H GLU A 103 0.884 8.749 -1.213 1.00 23.24 H new ATOM 0 HA GLU A 103 1.533 9.213 -3.970 1.00 1.15 H new ATOM 0 HB2 GLU A 103 3.089 8.841 -1.930 1.00 61.22 H new ATOM 0 HB3 GLU A 103 2.699 7.139 -2.081 1.00 61.22 H new ATOM 0 HG2 GLU A 103 4.786 7.502 -3.229 1.00 3.45 H new ATOM 0 HG3 GLU A 103 3.570 7.192 -4.452 1.00 3.45 H new ATOM 1761 N VAL A 104 0.624 7.193 -5.174 1.00 3.01 N ATOM 1762 CA VAL A 104 0.102 6.042 -5.911 1.00 72.44 C ATOM 1763 C VAL A 104 0.942 5.796 -7.169 1.00 4.30 C ATOM 1764 O VAL A 104 1.128 6.688 -8.012 1.00 53.34 O ATOM 1765 CB VAL A 104 -1.420 6.199 -6.277 1.00 43.21 C ATOM 1766 CG1 VAL A 104 -1.709 7.479 -7.097 1.00 33.01 C ATOM 1767 CG2 VAL A 104 -1.947 4.932 -6.995 1.00 12.35 C ATOM 0 H VAL A 104 0.903 7.972 -5.770 1.00 3.01 H new ATOM 0 HA VAL A 104 0.177 5.175 -5.255 1.00 72.44 H new ATOM 0 HB VAL A 104 -1.963 6.311 -5.339 1.00 43.21 H new ATOM 0 HG11 VAL A 104 -2.774 7.535 -7.321 1.00 33.01 H new ATOM 0 HG12 VAL A 104 -1.413 8.355 -6.520 1.00 33.01 H new ATOM 0 HG13 VAL A 104 -1.144 7.450 -8.028 1.00 33.01 H new ATOM 0 HG21 VAL A 104 -3.001 5.064 -7.238 1.00 12.35 H new ATOM 0 HG22 VAL A 104 -1.380 4.771 -7.912 1.00 12.35 H new ATOM 0 HG23 VAL A 104 -1.831 4.068 -6.341 1.00 12.35 H new ATOM 1777 N ARG A 105 1.487 4.584 -7.254 1.00 3.22 N ATOM 1778 CA ARG A 105 2.208 4.086 -8.421 1.00 32.21 C ATOM 1779 C ARG A 105 1.456 2.879 -8.978 1.00 34.33 C ATOM 1780 O ARG A 105 0.987 2.036 -8.218 1.00 74.24 O ATOM 1781 CB ARG A 105 3.663 3.695 -8.041 1.00 51.54 C ATOM 1782 CG ARG A 105 4.591 4.860 -7.597 1.00 3.31 C ATOM 1783 CD ARG A 105 4.931 5.849 -8.730 1.00 41.31 C ATOM 1784 NE ARG A 105 3.809 6.726 -9.072 1.00 64.15 N ATOM 1785 CZ ARG A 105 3.698 7.465 -10.187 1.00 42.13 C ATOM 1786 NH1 ARG A 105 4.651 7.478 -11.111 1.00 14.30 N ATOM 1787 NH2 ARG A 105 2.602 8.167 -10.388 1.00 75.44 N ATOM 0 H ARG A 105 1.438 3.905 -6.494 1.00 3.22 H new ATOM 0 HA ARG A 105 2.264 4.867 -9.179 1.00 32.21 H new ATOM 0 HB2 ARG A 105 3.622 2.963 -7.235 1.00 51.54 H new ATOM 0 HB3 ARG A 105 4.120 3.200 -8.898 1.00 51.54 H new ATOM 0 HG2 ARG A 105 4.112 5.404 -6.783 1.00 3.31 H new ATOM 0 HG3 ARG A 105 5.517 4.444 -7.200 1.00 3.31 H new ATOM 0 HD2 ARG A 105 5.784 6.458 -8.431 1.00 41.31 H new ATOM 0 HD3 ARG A 105 5.233 5.290 -9.616 1.00 41.31 H new ATOM 0 HE ARG A 105 3.042 6.780 -8.402 1.00 64.15 H new ATOM 0 HH11 ARG A 105 5.493 6.917 -10.983 1.00 14.30 H new ATOM 0 HH12 ARG A 105 4.541 8.049 -11.949 1.00 14.30 H new ATOM 0 HH21 ARG A 105 1.849 8.145 -9.700 1.00 75.44 H new ATOM 0 HH22 ARG A 105 2.506 8.732 -11.231 1.00 75.44 H new ATOM 1801 N LYS A 106 1.327 2.828 -10.297 1.00 62.44 N ATOM 1802 CA LYS A 106 0.750 1.687 -11.016 1.00 44.03 C ATOM 1803 C LYS A 106 1.864 1.000 -11.810 1.00 24.22 C ATOM 1804 O LYS A 106 2.748 1.661 -12.370 1.00 2.21 O ATOM 1805 CB LYS A 106 -0.438 2.157 -11.927 1.00 41.22 C ATOM 1806 CG LYS A 106 -0.931 1.135 -13.001 1.00 62.41 C ATOM 1807 CD LYS A 106 -0.137 1.235 -14.339 1.00 25.41 C ATOM 1808 CE LYS A 106 -0.408 0.075 -15.292 1.00 70.45 C ATOM 1809 NZ LYS A 106 0.326 0.219 -16.580 1.00 64.50 N ATOM 0 H LYS A 106 1.623 3.586 -10.912 1.00 62.44 H new ATOM 0 HA LYS A 106 0.331 0.964 -10.316 1.00 44.03 H new ATOM 0 HB2 LYS A 106 -1.281 2.413 -11.285 1.00 41.22 H new ATOM 0 HB3 LYS A 106 -0.137 3.072 -12.438 1.00 41.22 H new ATOM 0 HG2 LYS A 106 -0.839 0.124 -12.604 1.00 62.41 H new ATOM 0 HG3 LYS A 106 -1.990 1.304 -13.198 1.00 62.41 H new ATOM 0 HD2 LYS A 106 -0.393 2.171 -14.836 1.00 25.41 H new ATOM 0 HD3 LYS A 106 0.930 1.272 -14.118 1.00 25.41 H new ATOM 0 HE2 LYS A 106 -0.118 -0.861 -14.814 1.00 70.45 H new ATOM 0 HE3 LYS A 106 -1.478 0.013 -15.491 1.00 70.45 H new ATOM 0 HZ1 LYS A 106 -0.269 -0.128 -17.359 1.00 64.50 H new ATOM 0 HZ2 LYS A 106 0.555 1.221 -16.739 1.00 64.50 H new ATOM 0 HZ3 LYS A 106 1.205 -0.336 -16.543 1.00 64.50 H new ATOM 1823 N VAL A 107 1.782 -0.330 -11.870 1.00 1.03 N ATOM 1824 CA VAL A 107 2.694 -1.200 -12.609 1.00 24.32 C ATOM 1825 C VAL A 107 1.897 -2.392 -13.180 1.00 11.33 C ATOM 1826 O VAL A 107 0.687 -2.530 -12.922 1.00 22.42 O ATOM 1827 CB VAL A 107 3.877 -1.720 -11.703 1.00 32.34 C ATOM 1828 CG1 VAL A 107 4.804 -0.574 -11.234 1.00 51.54 C ATOM 1829 CG2 VAL A 107 3.332 -2.504 -10.500 1.00 24.15 C ATOM 0 H VAL A 107 1.050 -0.849 -11.386 1.00 1.03 H new ATOM 0 HA VAL A 107 3.140 -0.622 -13.419 1.00 24.32 H new ATOM 0 HB VAL A 107 4.481 -2.389 -12.316 1.00 32.34 H new ATOM 0 HG11 VAL A 107 5.602 -0.982 -10.614 1.00 51.54 H new ATOM 0 HG12 VAL A 107 5.237 -0.078 -12.103 1.00 51.54 H new ATOM 0 HG13 VAL A 107 4.227 0.147 -10.655 1.00 51.54 H new ATOM 0 HG21 VAL A 107 4.163 -2.854 -9.887 1.00 24.15 H new ATOM 0 HG22 VAL A 107 2.690 -1.856 -9.904 1.00 24.15 H new ATOM 0 HG23 VAL A 107 2.756 -3.359 -10.854 1.00 24.15 H new ATOM 1839 N THR A 108 2.572 -3.226 -13.978 1.00 72.40 N ATOM 1840 CA THR A 108 2.007 -4.476 -14.519 1.00 31.13 C ATOM 1841 C THR A 108 2.974 -5.644 -14.244 1.00 70.33 C ATOM 1842 O THR A 108 2.549 -6.726 -13.811 1.00 25.13 O ATOM 1843 CB THR A 108 1.725 -4.360 -16.061 1.00 43.21 C ATOM 1844 OG1 THR A 108 2.869 -3.802 -16.735 1.00 22.34 O ATOM 1845 CG2 THR A 108 0.490 -3.496 -16.381 1.00 1.14 C ATOM 0 H THR A 108 3.534 -3.055 -14.271 1.00 72.40 H new ATOM 0 HA THR A 108 1.056 -4.663 -14.021 1.00 31.13 H new ATOM 0 HB THR A 108 1.526 -5.372 -16.414 1.00 43.21 H new ATOM 0 HG1 THR A 108 3.558 -4.492 -16.836 1.00 22.34 H new ATOM 0 HG21 THR A 108 0.346 -3.453 -17.461 1.00 1.14 H new ATOM 0 HG22 THR A 108 -0.392 -3.935 -15.914 1.00 1.14 H new ATOM 0 HG23 THR A 108 0.641 -2.488 -15.995 1.00 1.14 H new ATOM 1853 N ASP A 109 4.277 -5.406 -14.504 1.00 32.44 N ATOM 1854 CA ASP A 109 5.333 -6.433 -14.376 1.00 40.10 C ATOM 1855 C ASP A 109 5.796 -6.580 -12.924 1.00 32.55 C ATOM 1856 O ASP A 109 5.587 -5.685 -12.092 1.00 12.22 O ATOM 1857 CB ASP A 109 6.543 -6.084 -15.288 1.00 24.21 C ATOM 1858 CG ASP A 109 6.227 -6.231 -16.781 1.00 31.01 C ATOM 1859 OD1 ASP A 109 5.342 -5.505 -17.281 1.00 64.42 O ATOM 1860 OD2 ASP A 109 6.863 -7.063 -17.471 1.00 54.25 O ATOM 0 H ASP A 109 4.626 -4.497 -14.808 1.00 32.44 H new ATOM 0 HA ASP A 109 4.909 -7.385 -14.694 1.00 40.10 H new ATOM 0 HB2 ASP A 109 6.859 -5.060 -15.088 1.00 24.21 H new ATOM 0 HB3 ASP A 109 7.382 -6.732 -15.034 1.00 24.21 H new ATOM 1865 N ASP A 110 6.460 -7.717 -12.660 1.00 21.53 N ATOM 1866 CA ASP A 110 6.930 -8.099 -11.325 1.00 22.53 C ATOM 1867 C ASP A 110 8.155 -7.265 -10.918 1.00 72.23 C ATOM 1868 O ASP A 110 8.170 -6.686 -9.837 1.00 3.13 O ATOM 1869 CB ASP A 110 7.244 -9.627 -11.262 1.00 42.23 C ATOM 1870 CG ASP A 110 8.402 -10.074 -12.182 1.00 44.33 C ATOM 1871 OD1 ASP A 110 8.276 -9.923 -13.421 1.00 2.40 O ATOM 1872 OD2 ASP A 110 9.450 -10.526 -11.672 1.00 43.15 O ATOM 0 H ASP A 110 6.687 -8.403 -13.380 1.00 21.53 H new ATOM 0 HA ASP A 110 6.132 -7.892 -10.612 1.00 22.53 H new ATOM 0 HB2 ASP A 110 7.488 -9.894 -10.234 1.00 42.23 H new ATOM 0 HB3 ASP A 110 6.346 -10.183 -11.531 1.00 42.23 H new ATOM 1877 N GLU A 111 9.167 -7.190 -11.809 1.00 72.41 N ATOM 1878 CA GLU A 111 10.400 -6.421 -11.553 1.00 34.43 C ATOM 1879 C GLU A 111 10.115 -4.911 -11.528 1.00 3.24 C ATOM 1880 O GLU A 111 10.799 -4.153 -10.824 1.00 24.11 O ATOM 1881 CB GLU A 111 11.507 -6.795 -12.583 1.00 12.11 C ATOM 1882 CG GLU A 111 11.125 -6.724 -14.087 1.00 4.14 C ATOM 1883 CD GLU A 111 11.054 -5.304 -14.690 1.00 23.12 C ATOM 1884 OE1 GLU A 111 12.094 -4.609 -14.704 1.00 71.44 O ATOM 1885 OE2 GLU A 111 9.969 -4.881 -15.151 1.00 0.25 O ATOM 0 H GLU A 111 9.152 -7.656 -12.716 1.00 72.41 H new ATOM 0 HA GLU A 111 10.775 -6.688 -10.565 1.00 34.43 H new ATOM 0 HB2 GLU A 111 12.359 -6.136 -12.419 1.00 12.11 H new ATOM 0 HB3 GLU A 111 11.842 -7.809 -12.366 1.00 12.11 H new ATOM 0 HG2 GLU A 111 11.851 -7.305 -14.656 1.00 4.14 H new ATOM 0 HG3 GLU A 111 10.156 -7.205 -14.221 1.00 4.14 H new ATOM 1892 N GLU A 112 9.093 -4.508 -12.302 1.00 1.14 N ATOM 1893 CA GLU A 112 8.610 -3.126 -12.369 1.00 43.41 C ATOM 1894 C GLU A 112 7.973 -2.726 -11.033 1.00 5.44 C ATOM 1895 O GLU A 112 8.154 -1.606 -10.568 1.00 23.21 O ATOM 1896 CB GLU A 112 7.603 -2.973 -13.534 1.00 50.53 C ATOM 1897 CG GLU A 112 7.139 -1.532 -13.821 1.00 1.44 C ATOM 1898 CD GLU A 112 6.136 -1.422 -14.981 1.00 25.22 C ATOM 1899 OE1 GLU A 112 5.245 -2.292 -15.104 1.00 15.22 O ATOM 1900 OE2 GLU A 112 6.207 -0.445 -15.758 1.00 62.14 O ATOM 0 H GLU A 112 8.574 -5.146 -12.906 1.00 1.14 H new ATOM 0 HA GLU A 112 9.452 -2.459 -12.557 1.00 43.41 H new ATOM 0 HB2 GLU A 112 8.056 -3.378 -14.439 1.00 50.53 H new ATOM 0 HB3 GLU A 112 6.726 -3.583 -13.316 1.00 50.53 H new ATOM 0 HG2 GLU A 112 6.684 -1.120 -12.920 1.00 1.44 H new ATOM 0 HG3 GLU A 112 8.011 -0.918 -14.047 1.00 1.44 H new ATOM 1907 N ALA A 113 7.224 -3.660 -10.426 1.00 1.53 N ATOM 1908 CA ALA A 113 6.650 -3.477 -9.082 1.00 1.13 C ATOM 1909 C ALA A 113 7.748 -3.345 -8.021 1.00 12.42 C ATOM 1910 O ALA A 113 7.708 -2.439 -7.182 1.00 34.12 O ATOM 1911 CB ALA A 113 5.719 -4.643 -8.741 1.00 72.04 C ATOM 0 H ALA A 113 6.999 -4.560 -10.850 1.00 1.53 H new ATOM 0 HA ALA A 113 6.074 -2.552 -9.085 1.00 1.13 H new ATOM 0 HB1 ALA A 113 5.301 -4.496 -7.745 1.00 72.04 H new ATOM 0 HB2 ALA A 113 4.910 -4.688 -9.471 1.00 72.04 H new ATOM 0 HB3 ALA A 113 6.281 -5.576 -8.764 1.00 72.04 H new ATOM 1917 N LEU A 114 8.738 -4.249 -8.097 1.00 51.23 N ATOM 1918 CA LEU A 114 9.840 -4.333 -7.125 1.00 62.31 C ATOM 1919 C LEU A 114 10.680 -3.043 -7.100 1.00 32.31 C ATOM 1920 O LEU A 114 11.016 -2.549 -6.026 1.00 24.15 O ATOM 1921 CB LEU A 114 10.746 -5.551 -7.446 1.00 64.40 C ATOM 1922 CG LEU A 114 10.074 -6.954 -7.349 1.00 53.42 C ATOM 1923 CD1 LEU A 114 11.057 -8.068 -7.768 1.00 14.05 C ATOM 1924 CD2 LEU A 114 9.495 -7.209 -5.944 1.00 43.42 C ATOM 0 H LEU A 114 8.797 -4.946 -8.839 1.00 51.23 H new ATOM 0 HA LEU A 114 9.398 -4.461 -6.137 1.00 62.31 H new ATOM 0 HB2 LEU A 114 11.139 -5.429 -8.455 1.00 64.40 H new ATOM 0 HB3 LEU A 114 11.599 -5.532 -6.767 1.00 64.40 H new ATOM 0 HG LEU A 114 9.238 -6.970 -8.048 1.00 53.42 H new ATOM 0 HD11 LEU A 114 10.563 -9.037 -7.691 1.00 14.05 H new ATOM 0 HD12 LEU A 114 11.376 -7.904 -8.797 1.00 14.05 H new ATOM 0 HD13 LEU A 114 11.927 -8.051 -7.112 1.00 14.05 H new ATOM 0 HD21 LEU A 114 9.035 -8.197 -5.914 1.00 43.42 H new ATOM 0 HD22 LEU A 114 10.296 -7.159 -5.206 1.00 43.42 H new ATOM 0 HD23 LEU A 114 8.745 -6.452 -5.717 1.00 43.42 H new ATOM 1936 N LYS A 115 10.973 -2.484 -8.293 1.00 43.13 N ATOM 1937 CA LYS A 115 11.844 -1.294 -8.427 1.00 61.05 C ATOM 1938 C LYS A 115 11.153 -0.038 -7.857 1.00 2.22 C ATOM 1939 O LYS A 115 11.822 0.916 -7.440 1.00 24.25 O ATOM 1940 CB LYS A 115 12.268 -1.090 -9.910 1.00 70.33 C ATOM 1941 CG LYS A 115 11.141 -0.665 -10.875 1.00 63.50 C ATOM 1942 CD LYS A 115 11.554 -0.690 -12.367 1.00 42.14 C ATOM 1943 CE LYS A 115 12.738 0.236 -12.696 1.00 33.31 C ATOM 1944 NZ LYS A 115 12.426 1.669 -12.451 1.00 72.53 N ATOM 0 H LYS A 115 10.618 -2.838 -9.181 1.00 43.13 H new ATOM 0 HA LYS A 115 12.749 -1.462 -7.843 1.00 61.05 H new ATOM 0 HB2 LYS A 115 13.054 -0.336 -9.944 1.00 70.33 H new ATOM 0 HB3 LYS A 115 12.703 -2.020 -10.276 1.00 70.33 H new ATOM 0 HG2 LYS A 115 10.286 -1.326 -10.733 1.00 63.50 H new ATOM 0 HG3 LYS A 115 10.813 0.341 -10.615 1.00 63.50 H new ATOM 0 HD2 LYS A 115 11.814 -1.711 -12.646 1.00 42.14 H new ATOM 0 HD3 LYS A 115 10.698 -0.401 -12.977 1.00 42.14 H new ATOM 0 HE2 LYS A 115 13.599 -0.053 -12.094 1.00 33.31 H new ATOM 0 HE3 LYS A 115 13.020 0.102 -13.740 1.00 33.31 H new ATOM 0 HZ1 LYS A 115 13.255 2.250 -12.688 1.00 72.53 H new ATOM 0 HZ2 LYS A 115 11.621 1.956 -13.045 1.00 72.53 H new ATOM 0 HZ3 LYS A 115 12.183 1.805 -11.449 1.00 72.53 H new ATOM 1958 N ILE A 116 9.804 -0.064 -7.837 1.00 42.23 N ATOM 1959 CA ILE A 116 8.984 0.969 -7.185 1.00 54.02 C ATOM 1960 C ILE A 116 9.117 0.863 -5.652 1.00 33.51 C ATOM 1961 O ILE A 116 9.298 1.873 -4.974 1.00 44.31 O ATOM 1962 CB ILE A 116 7.469 0.831 -7.581 1.00 23.21 C ATOM 1963 CG1 ILE A 116 7.253 0.962 -9.117 1.00 41.02 C ATOM 1964 CG2 ILE A 116 6.596 1.843 -6.823 1.00 73.30 C ATOM 1965 CD1 ILE A 116 7.556 2.314 -9.735 1.00 1.12 C ATOM 0 H ILE A 116 9.255 -0.805 -8.274 1.00 42.23 H new ATOM 0 HA ILE A 116 9.346 1.940 -7.523 1.00 54.02 H new ATOM 0 HB ILE A 116 7.159 -0.172 -7.289 1.00 23.21 H new ATOM 0 HG12 ILE A 116 7.873 0.215 -9.613 1.00 41.02 H new ATOM 0 HG13 ILE A 116 6.215 0.712 -9.337 1.00 41.02 H new ATOM 0 HG21 ILE A 116 5.555 1.720 -7.121 1.00 73.30 H new ATOM 0 HG22 ILE A 116 6.689 1.673 -5.750 1.00 73.30 H new ATOM 0 HG23 ILE A 116 6.924 2.855 -7.059 1.00 73.30 H new ATOM 0 HD11 ILE A 116 7.366 2.275 -10.808 1.00 1.12 H new ATOM 0 HD12 ILE A 116 6.918 3.073 -9.281 1.00 1.12 H new ATOM 0 HD13 ILE A 116 8.602 2.567 -9.561 1.00 1.12 H new ATOM 1977 N VAL A 117 9.025 -0.381 -5.135 1.00 63.13 N ATOM 1978 CA VAL A 117 9.106 -0.674 -3.685 1.00 22.31 C ATOM 1979 C VAL A 117 10.512 -0.320 -3.137 1.00 11.22 C ATOM 1980 O VAL A 117 10.649 0.163 -2.007 1.00 53.51 O ATOM 1981 CB VAL A 117 8.763 -2.190 -3.393 1.00 32.13 C ATOM 1982 CG1 VAL A 117 8.833 -2.537 -1.887 1.00 1.40 C ATOM 1983 CG2 VAL A 117 7.378 -2.564 -3.963 1.00 11.25 C ATOM 0 H VAL A 117 8.892 -1.212 -5.711 1.00 63.13 H new ATOM 0 HA VAL A 117 8.368 -0.056 -3.174 1.00 22.31 H new ATOM 0 HB VAL A 117 9.527 -2.782 -3.898 1.00 32.13 H new ATOM 0 HG11 VAL A 117 8.589 -3.590 -1.744 1.00 1.40 H new ATOM 0 HG12 VAL A 117 9.840 -2.345 -1.516 1.00 1.40 H new ATOM 0 HG13 VAL A 117 8.120 -1.921 -1.338 1.00 1.40 H new ATOM 0 HG21 VAL A 117 7.167 -3.612 -3.748 1.00 11.25 H new ATOM 0 HG22 VAL A 117 6.614 -1.938 -3.502 1.00 11.25 H new ATOM 0 HG23 VAL A 117 7.374 -2.407 -5.042 1.00 11.25 H new ATOM 1993 N ARG A 118 11.538 -0.525 -3.981 1.00 73.45 N ATOM 1994 CA ARG A 118 12.947 -0.194 -3.665 1.00 21.42 C ATOM 1995 C ARG A 118 13.134 1.334 -3.547 1.00 65.24 C ATOM 1996 O ARG A 118 13.905 1.812 -2.705 1.00 11.43 O ATOM 1997 CB ARG A 118 13.882 -0.809 -4.752 1.00 23.14 C ATOM 1998 CG ARG A 118 13.879 -2.360 -4.749 1.00 75.42 C ATOM 1999 CD ARG A 118 14.483 -3.007 -6.018 1.00 20.34 C ATOM 2000 NE ARG A 118 14.310 -4.476 -5.984 1.00 22.12 N ATOM 2001 CZ ARG A 118 14.353 -5.325 -7.028 1.00 15.50 C ATOM 2002 NH1 ARG A 118 14.568 -4.892 -8.263 1.00 33.25 N ATOM 2003 NH2 ARG A 118 14.164 -6.625 -6.813 1.00 72.32 N ATOM 0 H ARG A 118 11.416 -0.928 -4.910 1.00 73.45 H new ATOM 0 HA ARG A 118 13.214 -0.625 -2.700 1.00 21.42 H new ATOM 0 HB2 ARG A 118 13.571 -0.453 -5.734 1.00 23.14 H new ATOM 0 HB3 ARG A 118 14.900 -0.453 -4.591 1.00 23.14 H new ATOM 0 HG2 ARG A 118 14.435 -2.710 -3.879 1.00 75.42 H new ATOM 0 HG3 ARG A 118 12.853 -2.708 -4.633 1.00 75.42 H new ATOM 0 HD2 ARG A 118 14.001 -2.599 -6.906 1.00 20.34 H new ATOM 0 HD3 ARG A 118 15.543 -2.761 -6.089 1.00 20.34 H new ATOM 0 HE ARG A 118 14.139 -4.892 -5.068 1.00 22.12 H new ATOM 0 HH11 ARG A 118 14.705 -3.896 -8.438 1.00 33.25 H new ATOM 0 HH12 ARG A 118 14.596 -5.555 -9.038 1.00 33.25 H new ATOM 0 HH21 ARG A 118 13.990 -6.965 -5.867 1.00 72.32 H new ATOM 0 HH22 ARG A 118 14.194 -7.281 -7.594 1.00 72.32 H new ATOM 2017 N GLU A 119 12.404 2.090 -4.388 1.00 23.31 N ATOM 2018 CA GLU A 119 12.371 3.564 -4.317 1.00 24.32 C ATOM 2019 C GLU A 119 11.510 4.052 -3.132 1.00 40.33 C ATOM 2020 O GLU A 119 11.820 5.083 -2.527 1.00 34.25 O ATOM 2021 CB GLU A 119 11.848 4.172 -5.636 1.00 33.21 C ATOM 2022 CG GLU A 119 12.829 4.099 -6.827 1.00 74.11 C ATOM 2023 CD GLU A 119 12.385 4.923 -8.052 1.00 70.22 C ATOM 2024 OE1 GLU A 119 11.584 5.877 -7.900 1.00 4.54 O ATOM 2025 OE2 GLU A 119 12.851 4.640 -9.173 1.00 73.22 O ATOM 0 H GLU A 119 11.824 1.700 -5.131 1.00 23.31 H new ATOM 0 HA GLU A 119 13.395 3.902 -4.159 1.00 24.32 H new ATOM 0 HB2 GLU A 119 10.926 3.661 -5.913 1.00 33.21 H new ATOM 0 HB3 GLU A 119 11.592 5.217 -5.460 1.00 33.21 H new ATOM 0 HG2 GLU A 119 13.808 4.450 -6.501 1.00 74.11 H new ATOM 0 HG3 GLU A 119 12.947 3.057 -7.125 1.00 74.11 H new ATOM 2032 N PHE A 120 10.433 3.298 -2.813 1.00 4.41 N ATOM 2033 CA PHE A 120 9.533 3.590 -1.671 1.00 2.41 C ATOM 2034 C PHE A 120 10.299 3.597 -0.337 1.00 23.14 C ATOM 2035 O PHE A 120 9.901 4.295 0.593 1.00 20.42 O ATOM 2036 CB PHE A 120 8.347 2.572 -1.605 1.00 5.41 C ATOM 2037 CG PHE A 120 7.156 2.841 -2.536 1.00 41.40 C ATOM 2038 CD1 PHE A 120 6.986 4.070 -3.190 1.00 42.34 C ATOM 2039 CD2 PHE A 120 6.164 1.868 -2.705 1.00 13.11 C ATOM 2040 CE1 PHE A 120 5.881 4.301 -3.991 1.00 13.34 C ATOM 2041 CE2 PHE A 120 5.057 2.107 -3.500 1.00 74.53 C ATOM 2042 CZ PHE A 120 4.911 3.326 -4.135 1.00 62.14 C ATOM 0 H PHE A 120 10.162 2.468 -3.341 1.00 4.41 H new ATOM 0 HA PHE A 120 9.123 4.587 -1.836 1.00 2.41 H new ATOM 0 HB2 PHE A 120 8.737 1.579 -1.830 1.00 5.41 H new ATOM 0 HB3 PHE A 120 7.978 2.545 -0.580 1.00 5.41 H new ATOM 0 HD1 PHE A 120 7.727 4.846 -3.067 1.00 42.34 H new ATOM 0 HD2 PHE A 120 6.264 0.915 -2.207 1.00 13.11 H new ATOM 0 HE1 PHE A 120 5.776 5.245 -4.505 1.00 13.34 H new ATOM 0 HE2 PHE A 120 4.306 1.340 -3.624 1.00 74.53 H new ATOM 0 HZ PHE A 120 4.039 3.517 -4.744 1.00 62.14 H new ATOM 2052 N MET A 121 11.395 2.817 -0.278 1.00 25.10 N ATOM 2053 CA MET A 121 12.298 2.777 0.889 1.00 71.34 C ATOM 2054 C MET A 121 12.963 4.138 1.114 1.00 15.52 C ATOM 2055 O MET A 121 13.040 4.620 2.242 1.00 44.52 O ATOM 2056 CB MET A 121 13.398 1.699 0.700 1.00 63.21 C ATOM 2057 CG MET A 121 12.841 0.311 0.430 1.00 14.43 C ATOM 2058 SD MET A 121 11.634 -0.177 1.676 1.00 51.40 S ATOM 2059 CE MET A 121 11.014 -1.683 0.952 1.00 50.11 C ATOM 0 H MET A 121 11.679 2.197 -1.037 1.00 25.10 H new ATOM 0 HA MET A 121 11.693 2.525 1.760 1.00 71.34 H new ATOM 0 HB2 MET A 121 14.044 1.991 -0.128 1.00 63.21 H new ATOM 0 HB3 MET A 121 14.021 1.665 1.594 1.00 63.21 H new ATOM 0 HG2 MET A 121 12.375 0.291 -0.555 1.00 14.43 H new ATOM 0 HG3 MET A 121 13.657 -0.411 0.411 1.00 14.43 H new ATOM 0 HE1 MET A 121 9.926 -1.644 0.908 1.00 50.11 H new ATOM 0 HE2 MET A 121 11.414 -1.794 -0.056 1.00 50.11 H new ATOM 0 HE3 MET A 121 11.322 -2.533 1.561 1.00 50.11 H new ATOM 2069 N GLN A 122 13.408 4.761 0.013 1.00 70.10 N ATOM 2070 CA GLN A 122 14.208 6.000 0.065 1.00 33.03 C ATOM 2071 C GLN A 122 13.294 7.211 0.318 1.00 22.42 C ATOM 2072 O GLN A 122 13.652 8.141 1.052 1.00 23.35 O ATOM 2073 CB GLN A 122 15.030 6.143 -1.245 1.00 12.10 C ATOM 2074 CG GLN A 122 15.878 4.893 -1.591 1.00 33.42 C ATOM 2075 CD GLN A 122 16.806 4.436 -0.454 1.00 5.05 C ATOM 2076 OE1 GLN A 122 16.422 3.632 0.394 1.00 53.11 O ATOM 2077 NE2 GLN A 122 18.020 4.959 -0.411 1.00 71.43 N ATOM 0 H GLN A 122 13.227 4.426 -0.933 1.00 70.10 H new ATOM 0 HA GLN A 122 14.913 5.954 0.895 1.00 33.03 H new ATOM 0 HB2 GLN A 122 14.348 6.348 -2.070 1.00 12.10 H new ATOM 0 HB3 GLN A 122 15.691 7.005 -1.156 1.00 12.10 H new ATOM 0 HG2 GLN A 122 15.209 4.073 -1.853 1.00 33.42 H new ATOM 0 HG3 GLN A 122 16.480 5.107 -2.474 1.00 33.42 H new ATOM 0 HE21 GLN A 122 18.315 5.624 -1.126 1.00 71.43 H new ATOM 0 HE22 GLN A 122 18.662 4.698 0.337 1.00 71.43 H new ATOM 2086 N LYS A 123 12.094 7.139 -0.268 1.00 45.11 N ATOM 2087 CA LYS A 123 11.007 8.106 -0.055 1.00 1.24 C ATOM 2088 C LYS A 123 10.507 8.064 1.412 1.00 71.11 C ATOM 2089 O LYS A 123 10.201 9.102 2.009 1.00 74.21 O ATOM 2090 CB LYS A 123 9.855 7.771 -1.033 1.00 63.05 C ATOM 2091 CG LYS A 123 10.195 7.952 -2.531 1.00 21.23 C ATOM 2092 CD LYS A 123 9.070 7.421 -3.449 1.00 41.04 C ATOM 2093 CE LYS A 123 9.269 7.801 -4.928 1.00 44.24 C ATOM 2094 NZ LYS A 123 10.470 7.179 -5.538 1.00 1.52 N ATOM 0 H LYS A 123 11.844 6.393 -0.917 1.00 45.11 H new ATOM 0 HA LYS A 123 11.374 9.115 -0.245 1.00 1.24 H new ATOM 0 HB2 LYS A 123 9.547 6.738 -0.868 1.00 63.05 H new ATOM 0 HB3 LYS A 123 8.999 8.401 -0.792 1.00 63.05 H new ATOM 0 HG2 LYS A 123 10.364 9.008 -2.739 1.00 21.23 H new ATOM 0 HG3 LYS A 123 11.124 7.430 -2.757 1.00 21.23 H new ATOM 0 HD2 LYS A 123 9.020 6.336 -3.362 1.00 41.04 H new ATOM 0 HD3 LYS A 123 8.113 7.813 -3.105 1.00 41.04 H new ATOM 0 HE2 LYS A 123 8.387 7.503 -5.494 1.00 44.24 H new ATOM 0 HE3 LYS A 123 9.349 8.885 -5.010 1.00 44.24 H new ATOM 0 HZ1 LYS A 123 10.950 7.873 -6.145 1.00 1.52 H new ATOM 0 HZ2 LYS A 123 11.119 6.868 -4.787 1.00 1.52 H new ATOM 0 HZ3 LYS A 123 10.184 6.359 -6.109 1.00 1.52 H new ATOM 2108 N ALA A 124 10.430 6.842 1.971 1.00 1.54 N ATOM 2109 CA ALA A 124 10.049 6.609 3.381 1.00 34.44 C ATOM 2110 C ALA A 124 11.161 7.063 4.341 1.00 72.22 C ATOM 2111 O ALA A 124 10.887 7.498 5.469 1.00 71.02 O ATOM 2112 CB ALA A 124 9.737 5.132 3.595 1.00 54.23 C ATOM 0 H ALA A 124 10.631 5.984 1.457 1.00 1.54 H new ATOM 0 HA ALA A 124 9.159 7.200 3.597 1.00 34.44 H new ATOM 0 HB1 ALA A 124 9.457 4.966 4.635 1.00 54.23 H new ATOM 0 HB2 ALA A 124 8.913 4.836 2.946 1.00 54.23 H new ATOM 0 HB3 ALA A 124 10.618 4.536 3.357 1.00 54.23 H new ATOM 2118 N GLY A 125 12.417 6.963 3.869 1.00 41.41 N ATOM 2119 CA GLY A 125 13.571 7.498 4.590 1.00 72.33 C ATOM 2120 C GLY A 125 13.548 9.020 4.655 1.00 72.24 C ATOM 2121 O GLY A 125 14.044 9.616 5.612 1.00 50.23 O ATOM 0 H GLY A 125 12.652 6.512 2.985 1.00 41.41 H new ATOM 0 HA2 GLY A 125 13.586 7.092 5.602 1.00 72.33 H new ATOM 0 HA3 GLY A 125 14.488 7.170 4.101 1.00 72.33 H new ATOM 2125 N SER A 126 12.944 9.642 3.623 1.00 42.40 N ATOM 2126 CA SER A 126 12.740 11.100 3.559 1.00 65.01 C ATOM 2127 C SER A 126 11.641 11.559 4.549 1.00 53.45 C ATOM 2128 O SER A 126 11.676 12.699 5.036 1.00 43.31 O ATOM 2129 CB SER A 126 12.384 11.515 2.115 1.00 50.50 C ATOM 2130 OG SER A 126 13.406 11.121 1.209 1.00 25.11 O ATOM 0 H SER A 126 12.583 9.144 2.809 1.00 42.40 H new ATOM 0 HA SER A 126 13.668 11.591 3.851 1.00 65.01 H new ATOM 0 HB2 SER A 126 11.438 11.059 1.824 1.00 50.50 H new ATOM 0 HB3 SER A 126 12.245 12.595 2.066 1.00 50.50 H new ATOM 0 HG SER A 126 13.461 10.143 1.183 1.00 25.11 H new ATOM 2136 N LEU A 127 10.675 10.654 4.845 1.00 1.23 N ATOM 2137 CA LEU A 127 9.580 10.915 5.810 1.00 4.22 C ATOM 2138 C LEU A 127 10.114 11.080 7.247 1.00 34.04 C ATOM 2139 O LEU A 127 9.664 11.964 7.988 1.00 41.55 O ATOM 2140 CB LEU A 127 8.521 9.774 5.783 1.00 21.54 C ATOM 2141 CG LEU A 127 7.739 9.558 4.446 1.00 43.22 C ATOM 2142 CD1 LEU A 127 6.640 8.485 4.622 1.00 11.50 C ATOM 2143 CD2 LEU A 127 7.146 10.875 3.909 1.00 12.22 C ATOM 0 H LEU A 127 10.634 9.726 4.423 1.00 1.23 H new ATOM 0 HA LEU A 127 9.109 11.849 5.503 1.00 4.22 H new ATOM 0 HB2 LEU A 127 9.024 8.840 6.035 1.00 21.54 H new ATOM 0 HB3 LEU A 127 7.794 9.968 6.572 1.00 21.54 H new ATOM 0 HG LEU A 127 8.452 9.200 3.703 1.00 43.22 H new ATOM 0 HD11 LEU A 127 6.108 8.351 3.680 1.00 11.50 H new ATOM 0 HD12 LEU A 127 7.097 7.541 4.918 1.00 11.50 H new ATOM 0 HD13 LEU A 127 5.938 8.806 5.392 1.00 11.50 H new ATOM 0 HD21 LEU A 127 6.611 10.681 2.979 1.00 12.22 H new ATOM 0 HD22 LEU A 127 6.457 11.290 4.644 1.00 12.22 H new ATOM 0 HD23 LEU A 127 7.950 11.587 3.723 1.00 12.22 H new