USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 560 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: B 1 GLY N :NH3+ 178:sc= 0.91 (180deg=0) USER MOD Set 1.2: B 5 GLN : amide:sc= 0.79 K(o=1.7,f=-3.2) USER MOD Set 2.1: A 17 ASN : amide:sc= -4.56 K(o=-8.8,f=-7.1!) USER MOD Set 2.2: B 17 ASN : amide:sc= -4.28 K(o=-8.8,f=-7.1!) USER MOD Set 3.1: A 2 SER OG : rot -143:sc= 0.135 USER MOD Set 3.2: B 2 SER OG : rot 149:sc= 0.136 USER MOD Set 4.1: A 1 GLY N :NH3+ 177:sc= 0.89 (180deg=0) USER MOD Set 4.2: A 5 GLN : amide:sc= 0.776 K(o=1.7,f=-3.2) USER MOD Single : A 3 MET CE :methyl 175:sc= -0.45 (180deg=-0.483) USER MOD Single : A 4 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0285) USER MOD Single : A 9 LYS NZ :NH3+ 169:sc=-0.00786 (180deg=-0.157) USER MOD Single : A 15 SER OG : rot 67:sc= 1.33 USER MOD Single : A 16 LYS NZ :NH3+ -158:sc= -0.0732 (180deg=-0.477) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.155 X(o=-0.16,f=0) USER MOD Single : A 22 ASN : amide:sc= -1.32! K(o=-1.3!,f=-0.056) USER MOD Single : A 28 LYS NZ :NH3+ 165:sc= -0.0217 (180deg=-0.229) USER MOD Single : A 29 LYS NZ :NH3+ -170:sc= -0.0106 (180deg=-0.167) USER MOD Single : B 3 MET CE :methyl 175:sc= -0.408 (180deg=-0.451) USER MOD Single : B 4 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0263) USER MOD Single : B 9 LYS NZ :NH3+ 169:sc= -0.0144 (180deg=-0.163) USER MOD Single : B 15 SER OG : rot 63:sc= 1.32 USER MOD Single : B 16 LYS NZ :NH3+ -159:sc= -0.098 (180deg=-0.449) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : B 22 ASN : amide:sc= -1.3! K(o=-1.3!,f=-0.04) USER MOD Single : B 28 LYS NZ :NH3+ 165:sc= -0.0198 (180deg=-0.232) USER MOD Single : B 29 LYS NZ :NH3+ -169:sc=-0.00446 (180deg=-0.158) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.373 -1.938 -7.419 1.00 0.00 N ATOM 2 CA GLY A 1 -23.417 -2.319 -5.988 1.00 0.00 C ATOM 3 C GLY A 1 -22.494 -1.463 -5.155 1.00 0.00 C ATOM 4 O GLY A 1 -22.185 -0.332 -5.533 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.980 -2.580 -7.968 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.713 -0.961 -7.529 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.395 -2.005 -7.766 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.437 -2.222 -5.617 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.137 -3.367 -5.881 1.00 0.00 H new ATOM 10 N SER A 2 -22.042 -1.998 -4.030 1.00 0.00 N ATOM 11 CA SER A 2 -21.142 -1.273 -3.152 1.00 0.00 C ATOM 12 C SER A 2 -20.417 -2.217 -2.200 1.00 0.00 C ATOM 13 O SER A 2 -19.192 -2.246 -2.164 1.00 0.00 O ATOM 14 CB SER A 2 -21.911 -0.209 -2.364 1.00 0.00 C ATOM 15 OG SER A 2 -23.130 -0.731 -1.852 1.00 0.00 O ATOM 0 H SER A 2 -22.286 -2.934 -3.705 1.00 0.00 H new ATOM 0 HA SER A 2 -20.392 -0.781 -3.772 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.295 0.155 -1.542 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.120 0.645 -3.009 1.00 0.00 H new ATOM 0 HG SER A 2 -23.824 -0.041 -1.893 1.00 0.00 H new ATOM 21 N MET A 3 -21.179 -3.014 -1.460 1.00 0.00 N ATOM 22 CA MET A 3 -20.627 -3.835 -0.386 1.00 0.00 C ATOM 23 C MET A 3 -19.485 -4.729 -0.870 1.00 0.00 C ATOM 24 O MET A 3 -18.390 -4.699 -0.316 1.00 0.00 O ATOM 25 CB MET A 3 -21.731 -4.684 0.249 1.00 0.00 C ATOM 26 CG MET A 3 -21.286 -5.417 1.504 1.00 0.00 C ATOM 27 SD MET A 3 -20.628 -4.306 2.767 1.00 0.00 S ATOM 28 CE MET A 3 -22.040 -3.251 3.080 1.00 0.00 C ATOM 0 H MET A 3 -22.187 -3.110 -1.584 1.00 0.00 H new ATOM 0 HA MET A 3 -20.214 -3.158 0.362 1.00 0.00 H new ATOM 0 HB2 MET A 3 -22.577 -4.042 0.494 1.00 0.00 H new ATOM 0 HB3 MET A 3 -22.084 -5.412 -0.481 1.00 0.00 H new ATOM 0 HG2 MET A 3 -22.131 -5.968 1.916 1.00 0.00 H new ATOM 0 HG3 MET A 3 -20.525 -6.151 1.240 1.00 0.00 H new ATOM 0 HE1 MET A 3 -21.812 -2.572 3.902 1.00 0.00 H new ATOM 0 HE2 MET A 3 -22.268 -2.673 2.184 1.00 0.00 H new ATOM 0 HE3 MET A 3 -22.901 -3.865 3.345 1.00 0.00 H new ATOM 38 N LYS A 4 -19.727 -5.493 -1.922 1.00 0.00 N ATOM 39 CA LYS A 4 -18.743 -6.457 -2.404 1.00 0.00 C ATOM 40 C LYS A 4 -17.824 -5.846 -3.456 1.00 0.00 C ATOM 41 O LYS A 4 -16.814 -6.434 -3.823 1.00 0.00 O ATOM 42 CB LYS A 4 -19.441 -7.691 -2.983 1.00 0.00 C ATOM 43 CG LYS A 4 -20.069 -8.596 -1.934 1.00 0.00 C ATOM 44 CD LYS A 4 -19.014 -9.191 -1.014 1.00 0.00 C ATOM 45 CE LYS A 4 -19.600 -10.252 -0.095 1.00 0.00 C ATOM 46 NZ LYS A 4 -20.646 -9.701 0.805 1.00 0.00 N ATOM 0 H LYS A 4 -20.593 -5.467 -2.460 1.00 0.00 H new ATOM 0 HA LYS A 4 -18.133 -6.753 -1.550 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -20.215 -7.365 -3.678 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -18.718 -8.268 -3.560 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -20.790 -8.028 -1.345 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -20.620 -9.398 -2.425 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.215 -9.629 -1.612 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.565 -8.399 -0.415 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -20.027 -11.055 -0.696 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.803 -10.692 0.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.956 -10.439 1.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.257 -8.897 1.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -21.458 -9.382 0.239 1.00 0.00 H new ATOM 60 N GLN A 5 -18.154 -4.652 -3.908 1.00 0.00 N ATOM 61 CA GLN A 5 -17.420 -4.024 -4.998 1.00 0.00 C ATOM 62 C GLN A 5 -16.412 -3.040 -4.444 1.00 0.00 C ATOM 63 O GLN A 5 -15.263 -2.993 -4.881 1.00 0.00 O ATOM 64 CB GLN A 5 -18.376 -3.317 -5.960 1.00 0.00 C ATOM 65 CG GLN A 5 -19.316 -4.266 -6.683 1.00 0.00 C ATOM 66 CD GLN A 5 -20.226 -3.557 -7.663 1.00 0.00 C ATOM 67 OE1 GLN A 5 -20.577 -2.392 -7.476 1.00 0.00 O ATOM 68 NE2 GLN A 5 -20.623 -4.256 -8.711 1.00 0.00 N ATOM 0 H GLN A 5 -18.925 -4.094 -3.540 1.00 0.00 H new ATOM 0 HA GLN A 5 -16.892 -4.801 -5.551 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -18.965 -2.587 -5.404 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -17.794 -2.763 -6.696 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -18.730 -5.015 -7.215 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -19.923 -4.798 -5.950 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -20.310 -5.219 -8.830 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -21.243 -3.832 -9.401 1.00 0.00 H new ATOM 77 N LEU A 6 -16.844 -2.270 -3.461 1.00 0.00 N ATOM 78 CA LEU A 6 -15.971 -1.321 -2.810 1.00 0.00 C ATOM 79 C LEU A 6 -15.027 -2.067 -1.884 1.00 0.00 C ATOM 80 O LEU A 6 -13.838 -1.771 -1.840 1.00 0.00 O ATOM 81 CB LEU A 6 -16.777 -0.274 -2.040 1.00 0.00 C ATOM 82 CG LEU A 6 -17.825 0.479 -2.868 1.00 0.00 C ATOM 83 CD1 LEU A 6 -18.540 1.517 -2.023 1.00 0.00 C ATOM 84 CD2 LEU A 6 -17.186 1.130 -4.085 1.00 0.00 C ATOM 0 H LEU A 6 -17.797 -2.287 -3.098 1.00 0.00 H new ATOM 0 HA LEU A 6 -15.390 -0.792 -3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -17.280 -0.766 -1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -16.085 0.451 -1.612 1.00 0.00 H new ATOM 0 HG LEU A 6 -18.563 -0.245 -3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -19.278 2.037 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -19.041 1.025 -1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -17.816 2.235 -1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -17.948 1.658 -4.657 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -16.421 1.836 -3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -16.730 0.363 -4.710 1.00 0.00 H new ATOM 96 N GLU A 7 -15.549 -3.069 -1.169 1.00 0.00 N ATOM 97 CA GLU A 7 -14.693 -3.904 -0.333 1.00 0.00 C ATOM 98 C GLU A 7 -13.691 -4.676 -1.179 1.00 0.00 C ATOM 99 O GLU A 7 -12.542 -4.855 -0.771 1.00 0.00 O ATOM 100 CB GLU A 7 -15.496 -4.876 0.528 1.00 0.00 C ATOM 101 CG GLU A 7 -16.037 -4.254 1.801 1.00 0.00 C ATOM 102 CD GLU A 7 -16.643 -5.283 2.733 1.00 0.00 C ATOM 103 OE1 GLU A 7 -15.891 -5.873 3.537 1.00 0.00 O ATOM 104 OE2 GLU A 7 -17.867 -5.502 2.657 1.00 0.00 O ATOM 0 H GLU A 7 -16.539 -3.315 -1.154 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.157 -3.229 0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.328 -5.266 -0.058 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.864 -5.725 0.788 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.232 -3.730 2.317 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.791 -3.509 1.547 1.00 0.00 H new ATOM 111 N ASP A 8 -14.108 -5.124 -2.366 1.00 0.00 N ATOM 112 CA ASP A 8 -13.174 -5.811 -3.257 1.00 0.00 C ATOM 113 C ASP A 8 -12.097 -4.857 -3.754 1.00 0.00 C ATOM 114 O ASP A 8 -11.001 -5.279 -4.110 1.00 0.00 O ATOM 115 CB ASP A 8 -13.890 -6.457 -4.441 1.00 0.00 C ATOM 116 CG ASP A 8 -14.055 -7.954 -4.255 1.00 0.00 C ATOM 117 OD1 ASP A 8 -14.913 -8.365 -3.447 1.00 0.00 O ATOM 118 OD2 ASP A 8 -13.323 -8.714 -4.919 1.00 0.00 O ATOM 0 H ASP A 8 -15.058 -5.027 -2.724 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.703 -6.604 -2.677 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.870 -5.997 -4.568 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.327 -6.265 -5.354 1.00 0.00 H new ATOM 123 N LYS A 9 -12.412 -3.569 -3.767 1.00 0.00 N ATOM 124 CA LYS A 9 -11.445 -2.552 -4.146 1.00 0.00 C ATOM 125 C LYS A 9 -10.459 -2.320 -3.003 1.00 0.00 C ATOM 126 O LYS A 9 -9.257 -2.160 -3.230 1.00 0.00 O ATOM 127 CB LYS A 9 -12.158 -1.246 -4.511 1.00 0.00 C ATOM 128 CG LYS A 9 -11.245 -0.185 -5.107 1.00 0.00 C ATOM 129 CD LYS A 9 -10.643 -0.638 -6.428 1.00 0.00 C ATOM 130 CE LYS A 9 -9.774 0.444 -7.052 1.00 0.00 C ATOM 131 NZ LYS A 9 -8.641 0.832 -6.170 1.00 0.00 N ATOM 0 H LYS A 9 -13.332 -3.205 -3.519 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.895 -2.898 -5.021 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.954 -1.466 -5.222 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.632 -0.841 -3.617 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.809 0.735 -5.261 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.446 0.045 -4.403 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.046 -1.536 -6.267 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.442 -0.906 -7.119 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.385 0.090 -8.006 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.385 1.322 -7.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.975 1.428 -6.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.003 1.363 -5.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.151 -0.023 -5.838 1.00 0.00 H new ATOM 145 N VAL A 10 -10.975 -2.317 -1.773 1.00 0.00 N ATOM 146 CA VAL A 10 -10.135 -2.156 -0.588 1.00 0.00 C ATOM 147 C VAL A 10 -9.132 -3.299 -0.497 1.00 0.00 C ATOM 148 O VAL A 10 -7.929 -3.083 -0.359 1.00 0.00 O ATOM 149 CB VAL A 10 -10.947 -2.153 0.729 1.00 0.00 C ATOM 150 CG1 VAL A 10 -10.088 -1.655 1.873 1.00 0.00 C ATOM 151 CG2 VAL A 10 -12.209 -1.321 0.632 1.00 0.00 C ATOM 0 H VAL A 10 -11.969 -2.424 -1.573 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.639 -1.192 -0.700 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.251 -3.183 0.917 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -10.671 -1.658 2.794 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.223 -2.308 1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.751 -0.641 1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.740 -1.354 1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.947 -0.289 0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.849 -1.721 -0.155 1.00 0.00 H new ATOM 161 N GLU A 11 -9.645 -4.521 -0.587 1.00 0.00 N ATOM 162 CA GLU A 11 -8.820 -5.713 -0.440 1.00 0.00 C ATOM 163 C GLU A 11 -7.852 -5.861 -1.610 1.00 0.00 C ATOM 164 O GLU A 11 -6.788 -6.455 -1.467 1.00 0.00 O ATOM 165 CB GLU A 11 -9.698 -6.961 -0.335 1.00 0.00 C ATOM 166 CG GLU A 11 -10.696 -6.919 0.810 1.00 0.00 C ATOM 167 CD GLU A 11 -10.032 -6.775 2.165 1.00 0.00 C ATOM 168 OE1 GLU A 11 -9.868 -5.625 2.623 1.00 0.00 O ATOM 169 OE2 GLU A 11 -9.676 -7.811 2.765 1.00 0.00 O ATOM 0 H GLU A 11 -10.632 -4.712 -0.762 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.240 -5.604 0.476 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.240 -7.091 -1.272 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.057 -7.834 -0.213 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.382 -6.086 0.657 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.293 -7.831 0.799 1.00 0.00 H new ATOM 176 N GLU A 12 -8.224 -5.319 -2.763 1.00 0.00 N ATOM 177 CA GLU A 12 -7.358 -5.339 -3.931 1.00 0.00 C ATOM 178 C GLU A 12 -6.104 -4.534 -3.636 1.00 0.00 C ATOM 179 O GLU A 12 -4.987 -4.970 -3.923 1.00 0.00 O ATOM 180 CB GLU A 12 -8.085 -4.768 -5.154 1.00 0.00 C ATOM 181 CG GLU A 12 -7.276 -4.834 -6.441 1.00 0.00 C ATOM 182 CD GLU A 12 -6.906 -6.253 -6.833 1.00 0.00 C ATOM 183 OE1 GLU A 12 -7.748 -6.937 -7.451 1.00 0.00 O ATOM 184 OE2 GLU A 12 -5.771 -6.677 -6.528 1.00 0.00 O ATOM 0 H GLU A 12 -9.122 -4.860 -2.913 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.083 -6.370 -4.156 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.019 -5.312 -5.296 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.348 -3.729 -4.955 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.848 -4.377 -7.248 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.366 -4.246 -6.323 1.00 0.00 H new ATOM 191 N LEU A 13 -6.297 -3.362 -3.043 1.00 0.00 N ATOM 192 CA LEU A 13 -5.183 -2.578 -2.548 1.00 0.00 C ATOM 193 C LEU A 13 -4.465 -3.357 -1.463 1.00 0.00 C ATOM 194 O LEU A 13 -3.261 -3.542 -1.530 1.00 0.00 O ATOM 195 CB LEU A 13 -5.651 -1.232 -1.992 1.00 0.00 C ATOM 196 CG LEU A 13 -6.164 -0.232 -3.028 1.00 0.00 C ATOM 197 CD1 LEU A 13 -6.625 1.040 -2.340 1.00 0.00 C ATOM 198 CD2 LEU A 13 -5.083 0.086 -4.049 1.00 0.00 C ATOM 0 H LEU A 13 -7.213 -2.939 -2.896 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.506 -2.381 -3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.443 -1.415 -1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.823 -0.775 -1.451 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.009 -0.679 -3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.989 1.746 -3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.428 0.805 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.790 1.483 -1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.469 0.799 -4.777 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.219 0.516 -3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.785 -0.829 -4.561 1.00 0.00 H new ATOM 210 N LEU A 14 -5.237 -3.849 -0.494 1.00 0.00 N ATOM 211 CA LEU A 14 -4.708 -4.607 0.643 1.00 0.00 C ATOM 212 C LEU A 14 -3.764 -5.717 0.185 1.00 0.00 C ATOM 213 O LEU A 14 -2.798 -6.058 0.869 1.00 0.00 O ATOM 214 CB LEU A 14 -5.862 -5.231 1.426 1.00 0.00 C ATOM 215 CG LEU A 14 -5.585 -5.477 2.910 1.00 0.00 C ATOM 216 CD1 LEU A 14 -5.559 -4.162 3.671 1.00 0.00 C ATOM 217 CD2 LEU A 14 -6.622 -6.417 3.499 1.00 0.00 C ATOM 0 H LEU A 14 -6.250 -3.733 -0.474 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.150 -3.915 1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.733 -4.581 1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.125 -6.181 0.960 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.606 -5.948 3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.361 -4.356 4.725 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.775 -3.523 3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.523 -3.663 3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.408 -6.579 4.555 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.614 -5.977 3.394 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.590 -7.370 2.972 1.00 0.00 H new ATOM 229 N SER A 15 -4.054 -6.262 -0.986 1.00 0.00 N ATOM 230 CA SER A 15 -3.274 -7.342 -1.556 1.00 0.00 C ATOM 231 C SER A 15 -1.904 -6.841 -1.984 1.00 0.00 C ATOM 232 O SER A 15 -0.884 -7.454 -1.664 1.00 0.00 O ATOM 233 CB SER A 15 -4.013 -7.950 -2.748 1.00 0.00 C ATOM 234 OG SER A 15 -5.299 -8.410 -2.362 1.00 0.00 O ATOM 0 H SER A 15 -4.839 -5.965 -1.566 1.00 0.00 H new ATOM 0 HA SER A 15 -3.137 -8.112 -0.797 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.110 -7.207 -3.539 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.434 -8.777 -3.157 1.00 0.00 H new ATOM 0 HG SER A 15 -5.862 -7.645 -2.121 1.00 0.00 H new ATOM 240 N LYS A 16 -1.869 -5.714 -2.688 1.00 0.00 N ATOM 241 CA LYS A 16 -0.597 -5.164 -3.113 1.00 0.00 C ATOM 242 C LYS A 16 0.077 -4.450 -1.956 1.00 0.00 C ATOM 243 O LYS A 16 1.288 -4.410 -1.898 1.00 0.00 O ATOM 244 CB LYS A 16 -0.727 -4.243 -4.337 1.00 0.00 C ATOM 245 CG LYS A 16 -1.382 -2.885 -4.093 1.00 0.00 C ATOM 246 CD LYS A 16 -0.347 -1.814 -3.760 1.00 0.00 C ATOM 247 CE LYS A 16 -0.880 -0.405 -3.996 1.00 0.00 C ATOM 248 NZ LYS A 16 -1.176 -0.155 -5.433 1.00 0.00 N ATOM 0 H LYS A 16 -2.690 -5.177 -2.969 1.00 0.00 H new ATOM 0 HA LYS A 16 0.030 -5.999 -3.427 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.269 -4.074 -4.746 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.301 -4.768 -5.101 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.943 -2.587 -4.979 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.098 -2.967 -3.275 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.043 -1.916 -2.718 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.544 -1.970 -4.368 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.786 -0.257 -3.408 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.149 0.323 -3.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.172 0.869 -5.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.452 -0.615 -6.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.111 -0.544 -5.668 1.00 0.00 H new ATOM 262 N ASN A 17 -0.720 -3.894 -1.045 1.00 0.00 N ATOM 263 CA ASN A 17 -0.209 -3.335 0.210 1.00 0.00 C ATOM 264 C ASN A 17 0.595 -4.385 0.933 1.00 0.00 C ATOM 265 O ASN A 17 1.663 -4.102 1.464 1.00 0.00 O ATOM 266 CB ASN A 17 -1.359 -2.906 1.125 1.00 0.00 C ATOM 267 CG ASN A 17 -2.095 -1.689 0.629 1.00 0.00 C ATOM 268 OD1 ASN A 17 -2.061 -1.366 -0.553 1.00 0.00 O ATOM 269 ND2 ASN A 17 -2.807 -1.030 1.528 1.00 0.00 N ATOM 0 H ASN A 17 -1.731 -3.817 -1.153 1.00 0.00 H new ATOM 0 HA ASN A 17 0.406 -2.468 -0.030 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.063 -3.732 1.223 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.965 -2.703 2.121 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.357 -0.218 1.248 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.806 -1.334 2.502 1.00 0.00 H new ATOM 276 N TYR A 18 0.068 -5.606 0.953 1.00 0.00 N ATOM 277 CA TYR A 18 0.760 -6.709 1.601 1.00 0.00 C ATOM 278 C TYR A 18 2.148 -6.894 0.990 1.00 0.00 C ATOM 279 O TYR A 18 3.151 -6.927 1.702 1.00 0.00 O ATOM 280 CB TYR A 18 -0.054 -8.000 1.486 1.00 0.00 C ATOM 281 CG TYR A 18 0.516 -9.143 2.294 1.00 0.00 C ATOM 282 CD1 TYR A 18 1.228 -10.168 1.685 1.00 0.00 C ATOM 283 CD2 TYR A 18 0.345 -9.193 3.671 1.00 0.00 C ATOM 284 CE1 TYR A 18 1.754 -11.210 2.425 1.00 0.00 C ATOM 285 CE2 TYR A 18 0.866 -10.230 4.418 1.00 0.00 C ATOM 286 CZ TYR A 18 1.570 -11.235 3.790 1.00 0.00 C ATOM 287 OH TYR A 18 2.092 -12.269 4.534 1.00 0.00 O ATOM 0 H TYR A 18 -0.828 -5.853 0.531 1.00 0.00 H new ATOM 0 HA TYR A 18 0.874 -6.472 2.659 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.075 -7.807 1.814 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.106 -8.296 0.438 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.373 -10.151 0.615 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.205 -8.407 4.166 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.306 -11.999 1.936 1.00 0.00 H new ATOM 0 HE2 TYR A 18 0.723 -10.254 5.488 1.00 0.00 H new ATOM 0 HH TYR A 18 1.873 -12.134 5.480 1.00 0.00 H new ATOM 297 N HIS A 19 2.198 -6.973 -0.335 1.00 0.00 N ATOM 298 CA HIS A 19 3.461 -7.162 -1.042 1.00 0.00 C ATOM 299 C HIS A 19 4.320 -5.903 -0.954 1.00 0.00 C ATOM 300 O HIS A 19 5.511 -5.980 -0.683 1.00 0.00 O ATOM 301 CB HIS A 19 3.201 -7.520 -2.511 1.00 0.00 C ATOM 302 CG HIS A 19 4.421 -7.988 -3.256 1.00 0.00 C ATOM 303 ND1 HIS A 19 4.556 -9.270 -3.740 1.00 0.00 N ATOM 304 CD2 HIS A 19 5.554 -7.336 -3.616 1.00 0.00 C ATOM 305 CE1 HIS A 19 5.713 -9.387 -4.360 1.00 0.00 C ATOM 306 NE2 HIS A 19 6.337 -8.229 -4.300 1.00 0.00 N ATOM 0 H HIS A 19 1.380 -6.909 -0.941 1.00 0.00 H new ATOM 0 HA HIS A 19 3.999 -7.983 -0.569 1.00 0.00 H new ATOM 0 HB2 HIS A 19 2.441 -8.300 -2.554 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.791 -6.647 -3.019 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.795 -6.305 -3.403 1.00 0.00 H new ATOM 0 HE1 HIS A 19 6.086 -10.281 -4.837 1.00 0.00 H new ATOM 0 HE2 HIS A 19 7.255 -8.029 -4.698 1.00 0.00 H new ATOM 315 N LEU A 20 3.700 -4.753 -1.182 1.00 0.00 N ATOM 316 CA LEU A 20 4.371 -3.471 -1.175 1.00 0.00 C ATOM 317 C LEU A 20 4.980 -3.165 0.205 1.00 0.00 C ATOM 318 O LEU A 20 6.080 -2.618 0.294 1.00 0.00 O ATOM 319 CB LEU A 20 3.354 -2.404 -1.647 1.00 0.00 C ATOM 320 CG LEU A 20 3.697 -0.952 -1.378 1.00 0.00 C ATOM 321 CD1 LEU A 20 5.114 -0.648 -1.777 1.00 0.00 C ATOM 322 CD2 LEU A 20 2.773 -0.014 -2.125 1.00 0.00 C ATOM 0 H LEU A 20 2.701 -4.689 -1.380 1.00 0.00 H new ATOM 0 HA LEU A 20 5.218 -3.474 -1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.213 -2.524 -2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.396 -2.618 -1.173 1.00 0.00 H new ATOM 0 HG LEU A 20 3.576 -0.796 -0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.333 0.400 -1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.796 -1.279 -1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.243 -0.845 -2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.049 1.018 -1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.859 -0.195 -3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.744 -0.189 -1.809 1.00 0.00 H new ATOM 334 N GLU A 21 4.305 -3.559 1.279 1.00 0.00 N ATOM 335 CA GLU A 21 4.830 -3.317 2.615 1.00 0.00 C ATOM 336 C GLU A 21 5.959 -4.297 2.922 1.00 0.00 C ATOM 337 O GLU A 21 6.956 -3.928 3.545 1.00 0.00 O ATOM 338 CB GLU A 21 3.721 -3.413 3.665 1.00 0.00 C ATOM 339 CG GLU A 21 3.880 -2.426 4.817 1.00 0.00 C ATOM 340 CD GLU A 21 5.123 -2.668 5.651 1.00 0.00 C ATOM 341 OE1 GLU A 21 6.124 -1.948 5.448 1.00 0.00 O ATOM 342 OE2 GLU A 21 5.095 -3.572 6.509 1.00 0.00 O ATOM 0 H GLU A 21 3.406 -4.040 1.252 1.00 0.00 H new ATOM 0 HA GLU A 21 5.232 -2.304 2.650 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.759 -3.242 3.181 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.700 -4.426 4.067 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.912 -1.413 4.416 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.002 -2.486 5.461 1.00 0.00 H new ATOM 349 N ASN A 22 5.813 -5.537 2.471 1.00 0.00 N ATOM 350 CA ASN A 22 6.882 -6.522 2.614 1.00 0.00 C ATOM 351 C ASN A 22 8.060 -6.138 1.728 1.00 0.00 C ATOM 352 O ASN A 22 9.214 -6.435 2.039 1.00 0.00 O ATOM 353 CB ASN A 22 6.394 -7.930 2.254 1.00 0.00 C ATOM 354 CG ASN A 22 5.396 -8.497 3.250 1.00 0.00 C ATOM 355 OD1 ASN A 22 4.537 -9.302 2.889 1.00 0.00 O ATOM 356 ND2 ASN A 22 5.507 -8.098 4.509 1.00 0.00 N ATOM 0 H ASN A 22 4.973 -5.884 2.007 1.00 0.00 H new ATOM 0 HA ASN A 22 7.198 -6.531 3.657 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.935 -7.906 1.266 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.252 -8.599 2.191 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.868 -8.460 5.217 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.232 -7.429 4.770 1.00 0.00 H new ATOM 363 N GLU A 23 7.754 -5.469 0.626 1.00 0.00 N ATOM 364 CA GLU A 23 8.771 -4.977 -0.289 1.00 0.00 C ATOM 365 C GLU A 23 9.619 -3.907 0.390 1.00 0.00 C ATOM 366 O GLU A 23 10.847 -3.912 0.273 1.00 0.00 O ATOM 367 CB GLU A 23 8.108 -4.426 -1.552 1.00 0.00 C ATOM 368 CG GLU A 23 9.084 -3.963 -2.616 1.00 0.00 C ATOM 369 CD GLU A 23 8.387 -3.581 -3.907 1.00 0.00 C ATOM 370 OE1 GLU A 23 7.838 -2.462 -3.974 1.00 0.00 O ATOM 371 OE2 GLU A 23 8.385 -4.402 -4.847 1.00 0.00 O ATOM 0 H GLU A 23 6.798 -5.253 0.343 1.00 0.00 H new ATOM 0 HA GLU A 23 9.427 -5.800 -0.572 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.464 -5.196 -1.976 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.465 -3.590 -1.276 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.647 -3.108 -2.242 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.804 -4.756 -2.815 1.00 0.00 H new ATOM 378 N VAL A 24 8.962 -2.998 1.110 1.00 0.00 N ATOM 379 CA VAL A 24 9.678 -2.000 1.892 1.00 0.00 C ATOM 380 C VAL A 24 10.576 -2.683 2.919 1.00 0.00 C ATOM 381 O VAL A 24 11.737 -2.319 3.077 1.00 0.00 O ATOM 382 CB VAL A 24 8.728 -1.017 2.629 1.00 0.00 C ATOM 383 CG1 VAL A 24 9.484 -0.237 3.690 1.00 0.00 C ATOM 384 CG2 VAL A 24 8.128 -0.038 1.663 1.00 0.00 C ATOM 0 H VAL A 24 7.946 -2.935 1.166 1.00 0.00 H new ATOM 0 HA VAL A 24 10.273 -1.422 1.186 1.00 0.00 H new ATOM 0 HB VAL A 24 7.940 -1.609 3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.801 0.446 4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.908 -0.929 4.417 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.286 0.333 3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.466 0.642 2.199 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.923 0.533 1.183 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.559 -0.577 0.905 1.00 0.00 H new ATOM 394 N ALA A 25 10.029 -3.685 3.601 1.00 0.00 N ATOM 395 CA ALA A 25 10.758 -4.403 4.643 1.00 0.00 C ATOM 396 C ALA A 25 12.017 -5.067 4.086 1.00 0.00 C ATOM 397 O ALA A 25 13.067 -5.070 4.733 1.00 0.00 O ATOM 398 CB ALA A 25 9.854 -5.438 5.296 1.00 0.00 C ATOM 0 H ALA A 25 9.078 -4.020 3.450 1.00 0.00 H new ATOM 0 HA ALA A 25 11.071 -3.680 5.396 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.408 -5.967 6.071 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.993 -4.940 5.741 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.513 -6.149 4.544 1.00 0.00 H new ATOM 404 N ARG A 26 11.905 -5.624 2.884 1.00 0.00 N ATOM 405 CA ARG A 26 13.044 -6.250 2.222 1.00 0.00 C ATOM 406 C ARG A 26 14.104 -5.197 1.917 1.00 0.00 C ATOM 407 O ARG A 26 15.285 -5.381 2.212 1.00 0.00 O ATOM 408 CB ARG A 26 12.579 -6.958 0.939 1.00 0.00 C ATOM 409 CG ARG A 26 13.641 -7.832 0.279 1.00 0.00 C ATOM 410 CD ARG A 26 14.520 -7.046 -0.682 1.00 0.00 C ATOM 411 NE ARG A 26 15.623 -7.857 -1.197 1.00 0.00 N ATOM 412 CZ ARG A 26 16.351 -7.543 -2.267 1.00 0.00 C ATOM 413 NH1 ARG A 26 16.058 -6.466 -2.987 1.00 0.00 N ATOM 414 NH2 ARG A 26 17.370 -8.316 -2.623 1.00 0.00 N ATOM 0 H ARG A 26 11.037 -5.655 2.349 1.00 0.00 H new ATOM 0 HA ARG A 26 13.485 -6.998 2.881 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.712 -7.576 1.174 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.249 -6.205 0.223 1.00 0.00 H new ATOM 0 HG2 ARG A 26 14.264 -8.286 1.049 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.155 -8.646 -0.259 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.916 -6.684 -1.514 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.920 -6.169 -0.174 1.00 0.00 H new ATOM 0 HE ARG A 26 15.850 -8.721 -0.704 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.271 -5.874 -2.722 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.620 -6.231 -3.805 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.594 -9.148 -2.077 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.929 -8.078 -3.442 1.00 0.00 H new ATOM 428 N LEU A 27 13.665 -4.082 1.351 1.00 0.00 N ATOM 429 CA LEU A 27 14.557 -2.971 1.041 1.00 0.00 C ATOM 430 C LEU A 27 15.189 -2.408 2.312 1.00 0.00 C ATOM 431 O LEU A 27 16.370 -2.060 2.326 1.00 0.00 O ATOM 432 CB LEU A 27 13.787 -1.873 0.310 1.00 0.00 C ATOM 433 CG LEU A 27 13.815 -1.927 -1.224 1.00 0.00 C ATOM 434 CD1 LEU A 27 13.610 -3.339 -1.743 1.00 0.00 C ATOM 435 CD2 LEU A 27 12.746 -1.011 -1.792 1.00 0.00 C ATOM 0 H LEU A 27 12.691 -3.921 1.095 1.00 0.00 H new ATOM 0 HA LEU A 27 15.355 -3.341 0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.747 -1.911 0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.185 -0.908 0.625 1.00 0.00 H new ATOM 0 HG LEU A 27 14.800 -1.592 -1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.637 -3.334 -2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.402 -3.985 -1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.644 -3.714 -1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.771 -1.054 -2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.766 -1.332 -1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.932 0.012 -1.465 1.00 0.00 H new ATOM 447 N LYS A 28 14.399 -2.341 3.381 1.00 0.00 N ATOM 448 CA LYS A 28 14.871 -1.844 4.672 1.00 0.00 C ATOM 449 C LYS A 28 16.011 -2.695 5.223 1.00 0.00 C ATOM 450 O LYS A 28 16.807 -2.224 6.031 1.00 0.00 O ATOM 451 CB LYS A 28 13.732 -1.814 5.694 1.00 0.00 C ATOM 452 CG LYS A 28 12.863 -0.572 5.620 1.00 0.00 C ATOM 453 CD LYS A 28 13.654 0.679 5.976 1.00 0.00 C ATOM 454 CE LYS A 28 12.768 1.912 6.021 1.00 0.00 C ATOM 455 NZ LYS A 28 11.739 1.830 7.091 1.00 0.00 N ATOM 0 H LYS A 28 13.420 -2.627 3.378 1.00 0.00 H new ATOM 0 HA LYS A 28 15.240 -0.832 4.504 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.104 -2.693 5.547 1.00 0.00 H new ATOM 0 HB3 LYS A 28 14.155 -1.889 6.696 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.453 -0.472 4.615 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.018 -0.676 6.300 1.00 0.00 H new ATOM 0 HD2 LYS A 28 14.135 0.542 6.944 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.448 0.828 5.244 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.386 2.795 6.182 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.276 2.039 5.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.332 2.773 7.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.987 1.174 6.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.178 1.486 7.969 1.00 0.00 H new ATOM 469 N LYS A 29 16.076 -3.948 4.800 1.00 0.00 N ATOM 470 CA LYS A 29 17.133 -4.842 5.252 1.00 0.00 C ATOM 471 C LYS A 29 18.434 -4.539 4.513 1.00 0.00 C ATOM 472 O LYS A 29 19.519 -4.591 5.090 1.00 0.00 O ATOM 473 CB LYS A 29 16.719 -6.299 5.038 1.00 0.00 C ATOM 474 CG LYS A 29 17.668 -7.303 5.664 1.00 0.00 C ATOM 475 CD LYS A 29 17.181 -8.726 5.464 1.00 0.00 C ATOM 476 CE LYS A 29 18.096 -9.730 6.146 1.00 0.00 C ATOM 477 NZ LYS A 29 19.486 -9.668 5.623 1.00 0.00 N ATOM 0 H LYS A 29 15.414 -4.368 4.148 1.00 0.00 H new ATOM 0 HA LYS A 29 17.297 -4.682 6.318 1.00 0.00 H new ATOM 0 HB2 LYS A 29 15.722 -6.448 5.452 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.652 -6.495 3.968 1.00 0.00 H new ATOM 0 HG2 LYS A 29 18.659 -7.191 5.225 1.00 0.00 H new ATOM 0 HG3 LYS A 29 17.766 -7.097 6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 29 16.171 -8.825 5.861 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.128 -8.947 4.398 1.00 0.00 H new ATOM 0 HE2 LYS A 29 18.105 -9.541 7.219 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.700 -10.735 6.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.031 -10.475 5.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 19.468 -9.705 4.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 19.933 -8.781 5.930 1.00 0.00 H new ATOM 491 N LEU A 30 18.309 -4.193 3.239 1.00 0.00 N ATOM 492 CA LEU A 30 19.466 -3.859 2.413 1.00 0.00 C ATOM 493 C LEU A 30 19.961 -2.454 2.728 1.00 0.00 C ATOM 494 O LEU A 30 21.163 -2.192 2.726 1.00 0.00 O ATOM 495 CB LEU A 30 19.134 -3.980 0.922 1.00 0.00 C ATOM 496 CG LEU A 30 19.154 -5.403 0.351 1.00 0.00 C ATOM 497 CD1 LEU A 30 18.039 -6.252 0.938 1.00 0.00 C ATOM 498 CD2 LEU A 30 19.054 -5.365 -1.164 1.00 0.00 C ATOM 0 H LEU A 30 17.415 -4.136 2.751 1.00 0.00 H new ATOM 0 HA LEU A 30 20.258 -4.571 2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 30 18.145 -3.554 0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.843 -3.372 0.360 1.00 0.00 H new ATOM 0 HG LEU A 30 20.102 -5.863 0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 30 18.082 -7.254 0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 30 18.158 -6.312 2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 30 17.075 -5.799 0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 30 19.069 -6.382 -1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 30 18.123 -4.878 -1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 30 19.898 -4.807 -1.570 1.00 0.00 H new ATOM 510 N VAL A 31 19.028 -1.552 3.001 1.00 0.00 N ATOM 511 CA VAL A 31 19.375 -0.217 3.464 1.00 0.00 C ATOM 512 C VAL A 31 19.859 -0.309 4.908 1.00 0.00 C ATOM 513 O VAL A 31 20.618 0.533 5.392 1.00 0.00 O ATOM 514 CB VAL A 31 18.166 0.747 3.367 1.00 0.00 C ATOM 515 CG1 VAL A 31 18.518 2.128 3.895 1.00 0.00 C ATOM 516 CG2 VAL A 31 17.670 0.841 1.932 1.00 0.00 C ATOM 0 H VAL A 31 18.026 -1.721 2.910 1.00 0.00 H new ATOM 0 HA VAL A 31 20.164 0.183 2.828 1.00 0.00 H new ATOM 0 HB VAL A 31 17.367 0.341 3.988 1.00 0.00 H new ATOM 0 HG11 VAL A 31 17.649 2.781 3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 31 18.818 2.052 4.940 1.00 0.00 H new ATOM 0 HG13 VAL A 31 19.340 2.542 3.311 1.00 0.00 H new ATOM 0 HG21 VAL A 31 16.821 1.523 1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 31 18.471 1.214 1.294 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.362 -0.146 1.588 1.00 0.00 H new ATOM 526 N GLY A 32 19.419 -1.365 5.576 1.00 0.00 N ATOM 527 CA GLY A 32 19.841 -1.637 6.929 1.00 0.00 C ATOM 528 C GLY A 32 21.301 -2.031 7.001 1.00 0.00 C ATOM 529 O GLY A 32 22.097 -1.377 7.674 1.00 0.00 O ATOM 0 H GLY A 32 18.765 -2.048 5.194 1.00 0.00 H new ATOM 0 HA2 GLY A 32 19.673 -0.754 7.545 1.00 0.00 H new ATOM 0 HA3 GLY A 32 19.229 -2.437 7.345 1.00 0.00 H new ATOM 533 N GLU A 33 21.655 -3.102 6.303 1.00 0.00 N ATOM 534 CA GLU A 33 23.031 -3.568 6.263 1.00 0.00 C ATOM 535 C GLU A 33 23.358 -4.162 4.894 1.00 0.00 C ATOM 536 O GLU A 33 24.029 -3.476 4.098 1.00 0.00 O ATOM 537 CB GLU A 33 23.296 -4.585 7.381 1.00 0.00 C ATOM 538 CG GLU A 33 22.267 -5.701 7.469 1.00 0.00 C ATOM 539 CD GLU A 33 22.610 -6.726 8.532 1.00 0.00 C ATOM 540 OE1 GLU A 33 23.303 -7.712 8.205 1.00 0.00 O ATOM 541 OE2 GLU A 33 22.183 -6.546 9.691 1.00 0.00 O ATOM 542 OXT GLU A 33 22.939 -5.305 4.609 1.00 0.00 O ATOM 0 H GLU A 33 21.004 -3.665 5.755 1.00 0.00 H new ATOM 0 HA GLU A 33 23.686 -2.713 6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 33 24.281 -5.026 7.229 1.00 0.00 H new ATOM 0 HB3 GLU A 33 23.326 -4.059 8.335 1.00 0.00 H new ATOM 0 HG2 GLU A 33 21.289 -5.272 7.685 1.00 0.00 H new ATOM 0 HG3 GLU A 33 22.191 -6.197 6.502 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 -23.639 2.056 6.418 1.00 0.00 N ATOM 551 CA GLY B 1 -23.630 2.442 4.987 1.00 0.00 C ATOM 552 C GLY B 1 -22.686 1.580 4.181 1.00 0.00 C ATOM 553 O GLY B 1 -22.412 0.439 4.554 1.00 0.00 O ATOM 0 H1 GLY B 1 -24.272 2.691 6.945 1.00 0.00 H new ATOM 0 H2 GLY B 1 -23.975 1.076 6.511 1.00 0.00 H new ATOM 0 H3 GLY B 1 -22.676 2.130 6.803 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -24.638 2.356 4.581 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -23.337 3.488 4.894 1.00 0.00 H new ATOM 559 N SER B 2 -22.177 2.121 3.086 1.00 0.00 N ATOM 560 CA SER B 2 -21.248 1.394 2.239 1.00 0.00 C ATOM 561 C SER B 2 -20.475 2.337 1.324 1.00 0.00 C ATOM 562 O SER B 2 -19.248 2.353 1.343 1.00 0.00 O ATOM 563 CB SER B 2 -21.992 0.341 1.412 1.00 0.00 C ATOM 564 OG SER B 2 -23.183 0.872 0.853 1.00 0.00 O ATOM 0 H SER B 2 -22.393 3.064 2.763 1.00 0.00 H new ATOM 0 HA SER B 2 -20.529 0.892 2.886 1.00 0.00 H new ATOM 0 HB2 SER B 2 -21.344 -0.023 0.615 1.00 0.00 H new ATOM 0 HB3 SER B 2 -22.234 -0.515 2.042 1.00 0.00 H new ATOM 0 HG SER B 2 -23.370 0.428 -0.000 1.00 0.00 H new ATOM 570 N MET B 3 -21.198 3.141 0.555 1.00 0.00 N ATOM 571 CA MET B 3 -20.595 3.964 -0.490 1.00 0.00 C ATOM 572 C MET B 3 -19.466 4.846 0.046 1.00 0.00 C ATOM 573 O MET B 3 -18.351 4.808 -0.464 1.00 0.00 O ATOM 574 CB MET B 3 -21.666 4.825 -1.165 1.00 0.00 C ATOM 575 CG MET B 3 -21.164 5.563 -2.395 1.00 0.00 C ATOM 576 SD MET B 3 -20.461 4.454 -3.635 1.00 0.00 S ATOM 577 CE MET B 3 -21.868 3.409 -4.010 1.00 0.00 C ATOM 0 H MET B 3 -22.210 3.242 0.635 1.00 0.00 H new ATOM 0 HA MET B 3 -20.156 3.288 -1.224 1.00 0.00 H new ATOM 0 HB2 MET B 3 -22.505 4.190 -1.449 1.00 0.00 H new ATOM 0 HB3 MET B 3 -22.045 5.551 -0.445 1.00 0.00 H new ATOM 0 HG2 MET B 3 -21.987 6.123 -2.839 1.00 0.00 H new ATOM 0 HG3 MET B 3 -20.410 6.290 -2.095 1.00 0.00 H new ATOM 0 HE1 MET B 3 -21.611 2.732 -4.825 1.00 0.00 H new ATOM 0 HE2 MET B 3 -22.136 2.829 -3.127 1.00 0.00 H new ATOM 0 HE3 MET B 3 -22.713 4.030 -4.307 1.00 0.00 H new ATOM 587 N LYS B 4 -19.744 5.607 1.090 1.00 0.00 N ATOM 588 CA LYS B 4 -18.773 6.559 1.618 1.00 0.00 C ATOM 589 C LYS B 4 -17.904 5.934 2.703 1.00 0.00 C ATOM 590 O LYS B 4 -16.905 6.509 3.116 1.00 0.00 O ATOM 591 CB LYS B 4 -19.483 7.794 2.176 1.00 0.00 C ATOM 592 CG LYS B 4 -20.063 8.709 1.108 1.00 0.00 C ATOM 593 CD LYS B 4 -18.971 9.306 0.233 1.00 0.00 C ATOM 594 CE LYS B 4 -19.517 10.372 -0.703 1.00 0.00 C ATOM 595 NZ LYS B 4 -20.523 9.829 -1.652 1.00 0.00 N ATOM 0 H LYS B 4 -20.632 5.587 1.591 1.00 0.00 H new ATOM 0 HA LYS B 4 -18.126 6.854 0.792 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -20.286 7.471 2.838 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -18.778 8.362 2.783 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -20.762 8.148 0.488 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -20.630 9.510 1.582 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -18.196 9.740 0.865 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -18.501 8.515 -0.352 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -19.969 11.171 -0.115 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -18.694 10.816 -1.264 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -20.803 10.572 -2.324 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -20.112 9.028 -2.173 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -21.359 9.506 -1.124 1.00 0.00 H new ATOM 609 N GLN B 5 -18.263 4.740 3.135 1.00 0.00 N ATOM 610 CA GLN B 5 -17.581 4.099 4.249 1.00 0.00 C ATOM 611 C GLN B 5 -16.561 3.107 3.732 1.00 0.00 C ATOM 612 O GLN B 5 -15.435 3.038 4.223 1.00 0.00 O ATOM 613 CB GLN B 5 -18.579 3.395 5.169 1.00 0.00 C ATOM 614 CG GLN B 5 -19.537 4.347 5.863 1.00 0.00 C ATOM 615 CD GLN B 5 -20.493 3.639 6.802 1.00 0.00 C ATOM 616 OE1 GLN B 5 -20.846 2.479 6.593 1.00 0.00 O ATOM 617 NE2 GLN B 5 -20.929 4.337 7.835 1.00 0.00 N ATOM 0 H GLN B 5 -19.023 4.192 2.733 1.00 0.00 H new ATOM 0 HA GLN B 5 -17.070 4.870 4.826 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -19.153 2.675 4.586 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -18.031 2.830 5.923 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -18.965 5.086 6.424 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -20.109 4.891 5.111 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -20.612 5.297 7.973 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -21.583 3.916 8.495 1.00 0.00 H new ATOM 626 N LEU B 6 -16.957 2.349 2.726 1.00 0.00 N ATOM 627 CA LEU B 6 -16.066 1.396 2.104 1.00 0.00 C ATOM 628 C LEU B 6 -15.080 2.138 1.221 1.00 0.00 C ATOM 629 O LEU B 6 -13.893 1.829 1.222 1.00 0.00 O ATOM 630 CB LEU B 6 -16.849 0.359 1.299 1.00 0.00 C ATOM 631 CG LEU B 6 -17.935 -0.388 2.080 1.00 0.00 C ATOM 632 CD1 LEU B 6 -18.626 -1.414 1.201 1.00 0.00 C ATOM 633 CD2 LEU B 6 -17.351 -1.051 3.319 1.00 0.00 C ATOM 0 H LEU B 6 -17.894 2.378 2.323 1.00 0.00 H new ATOM 0 HA LEU B 6 -15.519 0.859 2.879 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -17.314 0.858 0.448 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -16.147 -0.371 0.896 1.00 0.00 H new ATOM 0 HG LEU B 6 -18.679 0.341 2.401 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -19.392 -1.931 1.779 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -19.089 -0.912 0.351 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -17.894 -2.137 0.841 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -18.141 -1.575 3.857 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -16.580 -1.762 3.022 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -16.913 -0.291 3.966 1.00 0.00 H new ATOM 645 N GLU B 7 -15.563 3.150 0.495 1.00 0.00 N ATOM 646 CA GLU B 7 -14.666 3.982 -0.303 1.00 0.00 C ATOM 647 C GLU B 7 -13.692 4.740 0.586 1.00 0.00 C ATOM 648 O GLU B 7 -12.527 4.911 0.225 1.00 0.00 O ATOM 649 CB GLU B 7 -15.424 4.965 -1.191 1.00 0.00 C ATOM 650 CG GLU B 7 -15.925 4.354 -2.489 1.00 0.00 C ATOM 651 CD GLU B 7 -16.485 5.395 -3.440 1.00 0.00 C ATOM 652 OE1 GLU B 7 -15.698 5.970 -4.219 1.00 0.00 O ATOM 653 OE2 GLU B 7 -17.707 5.636 -3.403 1.00 0.00 O ATOM 0 H GLU B 7 -16.549 3.407 0.444 1.00 0.00 H new ATOM 0 HA GLU B 7 -14.110 3.305 -0.952 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -16.273 5.363 -0.635 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -14.773 5.807 -1.424 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -15.108 3.823 -2.977 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -16.696 3.617 -2.266 1.00 0.00 H new ATOM 660 N ASP B 8 -14.153 5.186 1.759 1.00 0.00 N ATOM 661 CA ASP B 8 -13.251 5.863 2.690 1.00 0.00 C ATOM 662 C ASP B 8 -12.202 4.897 3.224 1.00 0.00 C ATOM 663 O ASP B 8 -11.115 5.309 3.618 1.00 0.00 O ATOM 664 CB ASP B 8 -14.008 6.507 3.847 1.00 0.00 C ATOM 665 CG ASP B 8 -14.157 8.007 3.664 1.00 0.00 C ATOM 666 OD1 ASP B 8 -14.987 8.428 2.833 1.00 0.00 O ATOM 667 OD2 ASP B 8 -13.438 8.760 4.352 1.00 0.00 O ATOM 0 H ASP B 8 -15.117 5.094 2.078 1.00 0.00 H new ATOM 0 HA ASP B 8 -12.752 6.657 2.134 1.00 0.00 H new ATOM 0 HB2 ASP B 8 -14.995 6.052 3.932 1.00 0.00 H new ATOM 0 HB3 ASP B 8 -13.483 6.306 4.781 1.00 0.00 H new ATOM 672 N LYS B 9 -12.528 3.611 3.216 1.00 0.00 N ATOM 673 CA LYS B 9 -11.585 2.583 3.630 1.00 0.00 C ATOM 674 C LYS B 9 -10.556 2.347 2.525 1.00 0.00 C ATOM 675 O LYS B 9 -9.367 2.172 2.800 1.00 0.00 O ATOM 676 CB LYS B 9 -12.324 1.280 3.956 1.00 0.00 C ATOM 677 CG LYS B 9 -11.447 0.208 4.583 1.00 0.00 C ATOM 678 CD LYS B 9 -10.895 0.649 5.930 1.00 0.00 C ATOM 679 CE LYS B 9 -10.063 -0.445 6.583 1.00 0.00 C ATOM 680 NZ LYS B 9 -8.900 -0.843 5.745 1.00 0.00 N ATOM 0 H LYS B 9 -13.439 3.256 2.927 1.00 0.00 H new ATOM 0 HA LYS B 9 -11.069 2.920 4.529 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -13.148 1.502 4.634 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -12.763 0.885 3.040 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -12.025 -0.707 4.709 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -10.622 -0.026 3.911 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -10.283 1.541 5.798 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -11.719 0.922 6.589 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -9.708 -0.098 7.553 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -10.692 -1.316 6.766 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -8.262 -1.448 6.301 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -9.236 -1.367 4.912 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -8.388 0.008 5.436 1.00 0.00 H new ATOM 694 N VAL B 10 -11.023 2.356 1.276 1.00 0.00 N ATOM 695 CA VAL B 10 -10.137 2.195 0.124 1.00 0.00 C ATOM 696 C VAL B 10 -9.125 3.333 0.079 1.00 0.00 C ATOM 697 O VAL B 10 -7.919 3.111 -0.025 1.00 0.00 O ATOM 698 CB VAL B 10 -10.895 2.204 -1.224 1.00 0.00 C ATOM 699 CG1 VAL B 10 -9.995 1.703 -2.336 1.00 0.00 C ATOM 700 CG2 VAL B 10 -12.168 1.383 -1.182 1.00 0.00 C ATOM 0 H VAL B 10 -12.008 2.473 1.037 1.00 0.00 H new ATOM 0 HA VAL B 10 -9.653 1.227 0.251 1.00 0.00 H new ATOM 0 HB VAL B 10 -11.182 3.237 -1.419 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -10.541 1.715 -3.279 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -9.120 2.349 -2.415 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -9.675 0.685 -2.114 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -12.660 1.424 -2.154 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -11.926 0.348 -0.942 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -12.836 1.786 -0.420 1.00 0.00 H new ATOM 710 N GLU B 11 -9.631 4.557 0.159 1.00 0.00 N ATOM 711 CA GLU B 11 -8.792 5.744 0.050 1.00 0.00 C ATOM 712 C GLU B 11 -7.868 5.876 1.257 1.00 0.00 C ATOM 713 O GLU B 11 -6.792 6.457 1.156 1.00 0.00 O ATOM 714 CB GLU B 11 -9.654 7.001 -0.084 1.00 0.00 C ATOM 715 CG GLU B 11 -10.605 6.974 -1.270 1.00 0.00 C ATOM 716 CD GLU B 11 -9.886 6.831 -2.595 1.00 0.00 C ATOM 717 OE1 GLU B 11 -9.727 5.684 -3.061 1.00 0.00 O ATOM 718 OE2 GLU B 11 -9.480 7.863 -3.166 1.00 0.00 O ATOM 0 H GLU B 11 -10.622 4.754 0.299 1.00 0.00 H new ATOM 0 HA GLU B 11 -8.179 5.636 -0.845 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -10.233 7.131 0.830 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -9.001 7.869 -0.174 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -11.305 6.147 -1.150 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -11.194 7.891 -1.279 1.00 0.00 H new ATOM 725 N GLU B 12 -8.290 5.331 2.392 1.00 0.00 N ATOM 726 CA GLU B 12 -7.471 5.334 3.594 1.00 0.00 C ATOM 727 C GLU B 12 -6.210 4.523 3.345 1.00 0.00 C ATOM 728 O GLU B 12 -5.102 4.950 3.676 1.00 0.00 O ATOM 729 CB GLU B 12 -8.253 4.764 4.781 1.00 0.00 C ATOM 730 CG GLU B 12 -7.499 4.816 6.101 1.00 0.00 C ATOM 731 CD GLU B 12 -7.133 6.229 6.517 1.00 0.00 C ATOM 732 OE1 GLU B 12 -7.995 6.919 7.100 1.00 0.00 O ATOM 733 OE2 GLU B 12 -5.982 6.643 6.263 1.00 0.00 O ATOM 0 H GLU B 12 -9.198 4.880 2.503 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.195 6.360 3.837 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.187 5.316 4.886 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -8.517 3.729 4.566 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -8.109 4.360 6.880 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -6.590 4.220 6.018 1.00 0.00 H new ATOM 740 N LEU B 13 -6.389 3.352 2.742 1.00 0.00 N ATOM 741 CA LEU B 13 -5.262 2.563 2.285 1.00 0.00 C ATOM 742 C LEU B 13 -4.498 3.342 1.233 1.00 0.00 C ATOM 743 O LEU B 13 -3.296 3.520 1.348 1.00 0.00 O ATOM 744 CB LEU B 13 -5.721 1.225 1.703 1.00 0.00 C ATOM 745 CG LEU B 13 -6.284 0.224 2.710 1.00 0.00 C ATOM 746 CD1 LEU B 13 -6.727 -1.040 1.998 1.00 0.00 C ATOM 747 CD2 LEU B 13 -5.250 -0.107 3.773 1.00 0.00 C ATOM 0 H LEU B 13 -7.302 2.934 2.561 1.00 0.00 H new ATOM 0 HA LEU B 13 -4.617 2.357 3.139 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -6.482 1.420 0.948 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -4.876 0.763 1.192 1.00 0.00 H new ATOM 0 HG LEU B 13 -7.147 0.675 3.199 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -7.127 -1.746 2.726 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -7.499 -0.795 1.268 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -5.874 -1.488 1.488 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -5.671 -0.821 4.480 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -4.369 -0.541 3.301 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -4.967 0.803 4.302 1.00 0.00 H new ATOM 759 N LEU B 14 -5.227 3.846 0.239 1.00 0.00 N ATOM 760 CA LEU B 14 -4.647 4.606 -0.872 1.00 0.00 C ATOM 761 C LEU B 14 -3.716 5.710 -0.370 1.00 0.00 C ATOM 762 O LEU B 14 -2.730 6.058 -1.025 1.00 0.00 O ATOM 763 CB LEU B 14 -5.761 5.243 -1.697 1.00 0.00 C ATOM 764 CG LEU B 14 -5.421 5.493 -3.166 1.00 0.00 C ATOM 765 CD1 LEU B 14 -5.374 4.180 -3.928 1.00 0.00 C ATOM 766 CD2 LEU B 14 -6.428 6.440 -3.794 1.00 0.00 C ATOM 0 H LEU B 14 -6.240 3.740 0.179 1.00 0.00 H new ATOM 0 HA LEU B 14 -4.069 3.912 -1.482 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -6.640 4.601 -1.648 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -6.034 6.193 -1.237 1.00 0.00 H new ATOM 0 HG LEU B 14 -4.437 5.959 -3.219 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -5.131 4.374 -4.973 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -4.612 3.533 -3.492 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -6.345 3.689 -3.867 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -6.169 6.605 -4.840 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -7.425 6.004 -3.732 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -6.414 7.391 -3.262 1.00 0.00 H new ATOM 778 N SER B 15 -4.046 6.244 0.794 1.00 0.00 N ATOM 779 CA SER B 15 -3.283 7.316 1.405 1.00 0.00 C ATOM 780 C SER B 15 -1.931 6.803 1.880 1.00 0.00 C ATOM 781 O SER B 15 -0.897 7.418 1.607 1.00 0.00 O ATOM 782 CB SER B 15 -4.061 7.918 2.577 1.00 0.00 C ATOM 783 OG SER B 15 -5.333 8.389 2.161 1.00 0.00 O ATOM 0 H SER B 15 -4.853 5.945 1.342 1.00 0.00 H new ATOM 0 HA SER B 15 -3.117 8.092 0.658 1.00 0.00 H new ATOM 0 HB2 SER B 15 -4.186 7.168 3.358 1.00 0.00 H new ATOM 0 HB3 SER B 15 -3.491 8.739 3.012 1.00 0.00 H new ATOM 0 HG SER B 15 -5.869 7.637 1.834 1.00 0.00 H new ATOM 789 N LYS B 16 -1.930 5.671 2.577 1.00 0.00 N ATOM 790 CA LYS B 16 -0.679 5.107 3.049 1.00 0.00 C ATOM 791 C LYS B 16 0.031 4.396 1.914 1.00 0.00 C ATOM 792 O LYS B 16 1.242 4.353 1.894 1.00 0.00 O ATOM 793 CB LYS B 16 -0.868 4.181 4.262 1.00 0.00 C ATOM 794 CG LYS B 16 -1.524 2.830 3.988 1.00 0.00 C ATOM 795 CD LYS B 16 -0.484 1.752 3.691 1.00 0.00 C ATOM 796 CE LYS B 16 -1.038 0.349 3.896 1.00 0.00 C ATOM 797 NZ LYS B 16 -1.393 0.088 5.320 1.00 0.00 N ATOM 0 H LYS B 16 -2.765 5.138 2.822 1.00 0.00 H new ATOM 0 HA LYS B 16 -0.055 5.932 3.394 1.00 0.00 H new ATOM 0 HB2 LYS B 16 0.109 4.002 4.711 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -1.468 4.708 5.004 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -2.121 2.533 4.850 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -2.207 2.921 3.143 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -0.137 1.857 2.663 1.00 0.00 H new ATOM 0 HD3 LYS B 16 0.382 1.897 4.337 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -1.922 0.214 3.272 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -0.301 -0.383 3.567 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -1.422 -0.938 5.488 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -0.680 0.521 5.941 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -2.326 0.499 5.526 1.00 0.00 H new ATOM 811 N ASN B 17 -0.734 3.850 0.973 1.00 0.00 N ATOM 812 CA ASN B 17 -0.178 3.291 -0.264 1.00 0.00 C ATOM 813 C ASN B 17 0.663 4.340 -0.950 1.00 0.00 C ATOM 814 O ASN B 17 1.746 4.052 -1.446 1.00 0.00 O ATOM 815 CB ASN B 17 -1.294 2.877 -1.228 1.00 0.00 C ATOM 816 CG ASN B 17 -2.059 1.665 -0.769 1.00 0.00 C ATOM 817 OD1 ASN B 17 -2.077 1.338 0.412 1.00 0.00 O ATOM 818 ND2 ASN B 17 -2.737 1.017 -1.700 1.00 0.00 N ATOM 0 H ASN B 17 -1.749 3.781 1.041 1.00 0.00 H new ATOM 0 HA ASN B 17 0.419 2.417 -0.003 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -1.986 3.710 -1.350 1.00 0.00 H new ATOM 0 HB3 ASN B 17 -0.862 2.675 -2.208 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -3.305 0.209 -1.447 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -2.692 1.325 -2.671 1.00 0.00 H new ATOM 825 N TYR B 18 0.148 5.566 -0.977 1.00 0.00 N ATOM 826 CA TYR B 18 0.873 6.666 -1.593 1.00 0.00 C ATOM 827 C TYR B 18 2.238 6.834 -0.927 1.00 0.00 C ATOM 828 O TYR B 18 3.270 6.861 -1.598 1.00 0.00 O ATOM 829 CB TYR B 18 0.068 7.964 -1.503 1.00 0.00 C ATOM 830 CG TYR B 18 0.680 9.107 -2.281 1.00 0.00 C ATOM 831 CD1 TYR B 18 1.379 10.119 -1.635 1.00 0.00 C ATOM 832 CD2 TYR B 18 0.563 9.170 -3.665 1.00 0.00 C ATOM 833 CE1 TYR B 18 1.942 11.162 -2.346 1.00 0.00 C ATOM 834 CE2 TYR B 18 1.125 10.208 -4.381 1.00 0.00 C ATOM 835 CZ TYR B 18 1.812 11.201 -3.717 1.00 0.00 C ATOM 836 OH TYR B 18 2.373 12.238 -4.427 1.00 0.00 O ATOM 0 H TYR B 18 -0.759 5.818 -0.583 1.00 0.00 H new ATOM 0 HA TYR B 18 1.024 6.434 -2.647 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -0.941 7.783 -1.872 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.023 8.254 -0.456 1.00 0.00 H new ATOM 0 HD1 TYR B 18 1.484 10.090 -0.561 1.00 0.00 H new ATOM 0 HD2 TYR B 18 0.024 8.394 -4.188 1.00 0.00 H new ATOM 0 HE1 TYR B 18 2.481 11.942 -1.829 1.00 0.00 H new ATOM 0 HE2 TYR B 18 1.027 10.242 -5.456 1.00 0.00 H new ATOM 0 HH TYR B 18 2.192 12.116 -5.382 1.00 0.00 H new ATOM 846 N HIS B 19 2.236 6.906 0.399 1.00 0.00 N ATOM 847 CA HIS B 19 3.469 7.084 1.158 1.00 0.00 C ATOM 848 C HIS B 19 4.324 5.819 1.095 1.00 0.00 C ATOM 849 O HIS B 19 5.524 5.889 0.869 1.00 0.00 O ATOM 850 CB HIS B 19 3.152 7.434 2.619 1.00 0.00 C ATOM 851 CG HIS B 19 4.342 7.890 3.416 1.00 0.00 C ATOM 852 ND1 HIS B 19 4.468 9.172 3.910 1.00 0.00 N ATOM 853 CD2 HIS B 19 5.454 7.226 3.819 1.00 0.00 C ATOM 854 CE1 HIS B 19 5.603 9.276 4.577 1.00 0.00 C ATOM 855 NE2 HIS B 19 6.218 8.110 4.537 1.00 0.00 N ATOM 0 H HIS B 19 1.394 6.844 0.971 1.00 0.00 H new ATOM 0 HA HIS B 19 4.030 7.906 0.714 1.00 0.00 H new ATOM 0 HB2 HIS B 19 2.395 8.218 2.637 1.00 0.00 H new ATOM 0 HB3 HIS B 19 2.717 6.560 3.104 1.00 0.00 H new ATOM 0 HD2 HIS B 19 5.693 6.193 3.613 1.00 0.00 H new ATOM 0 HE1 HIS B 19 5.966 10.165 5.071 1.00 0.00 H new ATOM 0 HE2 HIS B 19 7.117 7.900 4.970 1.00 0.00 H new ATOM 864 N LEU B 20 3.688 4.672 1.293 1.00 0.00 N ATOM 865 CA LEU B 20 4.346 3.384 1.305 1.00 0.00 C ATOM 866 C LEU B 20 5.007 3.079 -0.052 1.00 0.00 C ATOM 867 O LEU B 20 6.104 2.519 -0.101 1.00 0.00 O ATOM 868 CB LEU B 20 3.302 2.322 1.730 1.00 0.00 C ATOM 869 CG LEU B 20 3.644 0.869 1.467 1.00 0.00 C ATOM 870 CD1 LEU B 20 5.042 0.551 1.920 1.00 0.00 C ATOM 871 CD2 LEU B 20 2.682 -0.064 2.171 1.00 0.00 C ATOM 0 H LEU B 20 2.682 4.616 1.452 1.00 0.00 H new ATOM 0 HA LEU B 20 5.165 3.376 2.025 1.00 0.00 H new ATOM 0 HB2 LEU B 20 3.118 2.438 2.798 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.365 2.546 1.220 1.00 0.00 H new ATOM 0 HG LEU B 20 3.565 0.719 0.390 1.00 0.00 H new ATOM 0 HD11 LEU B 20 5.260 -0.498 1.719 1.00 0.00 H new ATOM 0 HD12 LEU B 20 5.751 1.179 1.380 1.00 0.00 H new ATOM 0 HD13 LEU B 20 5.130 0.741 2.990 1.00 0.00 H new ATOM 0 HD21 LEU B 20 2.957 -1.097 1.960 1.00 0.00 H new ATOM 0 HD22 LEU B 20 2.726 0.111 3.246 1.00 0.00 H new ATOM 0 HD23 LEU B 20 1.669 0.121 1.815 1.00 0.00 H new ATOM 883 N GLU B 21 4.379 3.484 -1.150 1.00 0.00 N ATOM 884 CA GLU B 21 4.955 3.244 -2.465 1.00 0.00 C ATOM 885 C GLU B 21 6.103 4.215 -2.722 1.00 0.00 C ATOM 886 O GLU B 21 7.120 3.842 -3.309 1.00 0.00 O ATOM 887 CB GLU B 21 3.889 3.353 -3.560 1.00 0.00 C ATOM 888 CG GLU B 21 4.088 2.370 -4.707 1.00 0.00 C ATOM 889 CD GLU B 21 5.366 2.607 -5.491 1.00 0.00 C ATOM 890 OE1 GLU B 21 6.351 1.877 -5.251 1.00 0.00 O ATOM 891 OE2 GLU B 21 5.383 3.520 -6.340 1.00 0.00 O ATOM 0 H GLU B 21 3.484 3.973 -1.156 1.00 0.00 H new ATOM 0 HA GLU B 21 5.350 2.228 -2.489 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.907 3.187 -3.117 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.892 4.368 -3.958 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.098 1.356 -4.308 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.237 2.437 -5.385 1.00 0.00 H new ATOM 898 N ASN B 22 5.951 5.452 -2.267 1.00 0.00 N ATOM 899 CA ASN B 22 7.031 6.431 -2.363 1.00 0.00 C ATOM 900 C ASN B 22 8.170 6.040 -1.427 1.00 0.00 C ATOM 901 O ASN B 22 9.336 6.344 -1.679 1.00 0.00 O ATOM 902 CB ASN B 22 6.535 7.842 -2.022 1.00 0.00 C ATOM 903 CG ASN B 22 5.574 8.410 -3.056 1.00 0.00 C ATOM 904 OD1 ASN B 22 4.689 9.198 -2.728 1.00 0.00 O ATOM 905 ND2 ASN B 22 5.742 8.025 -4.309 1.00 0.00 N ATOM 0 H ASN B 22 5.098 5.801 -1.831 1.00 0.00 H new ATOM 0 HA ASN B 22 7.391 6.439 -3.392 1.00 0.00 H new ATOM 0 HB2 ASN B 22 6.041 7.821 -1.051 1.00 0.00 H new ATOM 0 HB3 ASN B 22 7.393 8.508 -1.929 1.00 0.00 H new ATOM 0 HD21 ASN B 22 5.127 8.383 -5.039 1.00 0.00 H new ATOM 0 HD22 ASN B 22 6.487 7.370 -4.546 1.00 0.00 H new ATOM 912 N GLU B 23 7.815 5.359 -0.345 1.00 0.00 N ATOM 913 CA GLU B 23 8.788 4.853 0.609 1.00 0.00 C ATOM 914 C GLU B 23 9.656 3.783 -0.043 1.00 0.00 C ATOM 915 O GLU B 23 10.878 3.784 0.119 1.00 0.00 O ATOM 916 CB GLU B 23 8.070 4.300 1.840 1.00 0.00 C ATOM 917 CG GLU B 23 8.999 3.820 2.938 1.00 0.00 C ATOM 918 CD GLU B 23 8.247 3.437 4.195 1.00 0.00 C ATOM 919 OE1 GLU B 23 7.692 2.320 4.237 1.00 0.00 O ATOM 920 OE2 GLU B 23 8.207 4.255 5.137 1.00 0.00 O ATOM 0 H GLU B 23 6.847 5.143 -0.106 1.00 0.00 H new ATOM 0 HA GLU B 23 9.437 5.669 0.927 1.00 0.00 H new ATOM 0 HB2 GLU B 23 7.417 5.074 2.244 1.00 0.00 H new ATOM 0 HB3 GLU B 23 7.431 3.472 1.533 1.00 0.00 H new ATOM 0 HG2 GLU B 23 9.568 2.962 2.581 1.00 0.00 H new ATOM 0 HG3 GLU B 23 9.719 4.605 3.172 1.00 0.00 H new ATOM 927 N VAL B 24 9.020 2.883 -0.792 1.00 0.00 N ATOM 928 CA VAL B 24 9.758 1.882 -1.552 1.00 0.00 C ATOM 929 C VAL B 24 10.703 2.563 -2.540 1.00 0.00 C ATOM 930 O VAL B 24 11.867 2.190 -2.650 1.00 0.00 O ATOM 931 CB VAL B 24 8.830 0.912 -2.334 1.00 0.00 C ATOM 932 CG1 VAL B 24 9.622 0.131 -3.365 1.00 0.00 C ATOM 933 CG2 VAL B 24 8.183 -0.065 -1.398 1.00 0.00 C ATOM 0 H VAL B 24 8.006 2.828 -0.887 1.00 0.00 H new ATOM 0 HA VAL B 24 10.319 1.294 -0.825 1.00 0.00 H new ATOM 0 HB VAL B 24 8.068 1.513 -2.830 1.00 0.00 H new ATOM 0 HG11 VAL B 24 8.955 -0.543 -3.902 1.00 0.00 H new ATOM 0 HG12 VAL B 24 10.084 0.823 -4.070 1.00 0.00 H new ATOM 0 HG13 VAL B 24 10.398 -0.449 -2.865 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.537 -0.737 -1.963 1.00 0.00 H new ATOM 0 HG22 VAL B 24 8.952 -0.645 -0.889 1.00 0.00 H new ATOM 0 HG23 VAL B 24 7.589 0.476 -0.661 1.00 0.00 H new ATOM 943 N ALA B 25 10.193 3.572 -3.237 1.00 0.00 N ATOM 944 CA ALA B 25 10.971 4.289 -4.243 1.00 0.00 C ATOM 945 C ALA B 25 12.209 4.939 -3.630 1.00 0.00 C ATOM 946 O ALA B 25 13.286 4.938 -4.232 1.00 0.00 O ATOM 947 CB ALA B 25 10.102 5.337 -4.925 1.00 0.00 C ATOM 0 H ALA B 25 9.239 3.914 -3.123 1.00 0.00 H new ATOM 0 HA ALA B 25 11.310 3.568 -4.987 1.00 0.00 H new ATOM 0 HB1 ALA B 25 10.691 5.867 -5.674 1.00 0.00 H new ATOM 0 HB2 ALA B 25 9.255 4.849 -5.408 1.00 0.00 H new ATOM 0 HB3 ALA B 25 9.737 6.046 -4.182 1.00 0.00 H new ATOM 953 N ARG B 26 12.053 5.491 -2.433 1.00 0.00 N ATOM 954 CA ARG B 26 13.168 6.105 -1.721 1.00 0.00 C ATOM 955 C ARG B 26 14.207 5.044 -1.379 1.00 0.00 C ATOM 956 O ARG B 26 15.401 5.223 -1.618 1.00 0.00 O ATOM 957 CB ARG B 26 12.659 6.811 -0.454 1.00 0.00 C ATOM 958 CG ARG B 26 13.702 7.672 0.252 1.00 0.00 C ATOM 959 CD ARG B 26 14.536 6.872 1.241 1.00 0.00 C ATOM 960 NE ARG B 26 15.621 7.670 1.809 1.00 0.00 N ATOM 961 CZ ARG B 26 16.296 7.342 2.909 1.00 0.00 C ATOM 962 NH1 ARG B 26 15.961 6.261 3.603 1.00 0.00 N ATOM 963 NH2 ARG B 26 17.300 8.107 3.323 1.00 0.00 N ATOM 0 H ARG B 26 11.164 5.526 -1.934 1.00 0.00 H new ATOM 0 HA ARG B 26 13.639 6.853 -2.359 1.00 0.00 H new ATOM 0 HB2 ARG B 26 11.808 7.438 -0.720 1.00 0.00 H new ATOM 0 HB3 ARG B 26 12.294 6.058 0.245 1.00 0.00 H new ATOM 0 HG2 ARG B 26 14.359 8.126 -0.490 1.00 0.00 H new ATOM 0 HG3 ARG B 26 13.203 8.487 0.776 1.00 0.00 H new ATOM 0 HD2 ARG B 26 13.896 6.506 2.044 1.00 0.00 H new ATOM 0 HD3 ARG B 26 14.952 5.997 0.741 1.00 0.00 H new ATOM 0 HE ARG B 26 15.878 8.534 1.332 1.00 0.00 H new ATOM 0 HH11 ARG B 26 15.183 5.677 3.294 1.00 0.00 H new ATOM 0 HH12 ARG B 26 16.481 6.014 4.445 1.00 0.00 H new ATOM 0 HH21 ARG B 26 17.553 8.944 2.798 1.00 0.00 H new ATOM 0 HH22 ARG B 26 17.818 7.857 4.165 1.00 0.00 H new ATOM 977 N LEU B 27 13.736 3.929 -0.841 1.00 0.00 N ATOM 978 CA LEU B 27 14.606 2.810 -0.502 1.00 0.00 C ATOM 979 C LEU B 27 15.284 2.248 -1.748 1.00 0.00 C ATOM 980 O LEU B 27 16.460 1.889 -1.716 1.00 0.00 O ATOM 981 CB LEU B 27 13.800 1.713 0.193 1.00 0.00 C ATOM 982 CG LEU B 27 13.766 1.760 1.727 1.00 0.00 C ATOM 983 CD1 LEU B 27 13.548 3.170 2.245 1.00 0.00 C ATOM 984 CD2 LEU B 27 12.670 0.851 2.247 1.00 0.00 C ATOM 0 H LEU B 27 12.751 3.774 -0.628 1.00 0.00 H new ATOM 0 HA LEU B 27 15.380 3.172 0.175 1.00 0.00 H new ATOM 0 HB2 LEU B 27 12.774 1.758 -0.173 1.00 0.00 H new ATOM 0 HB3 LEU B 27 14.204 0.747 -0.111 1.00 0.00 H new ATOM 0 HG LEU B 27 14.735 1.417 2.089 1.00 0.00 H new ATOM 0 HD11 LEU B 27 13.530 3.159 3.335 1.00 0.00 H new ATOM 0 HD12 LEU B 27 14.358 3.813 1.902 1.00 0.00 H new ATOM 0 HD13 LEU B 27 12.598 3.552 1.871 1.00 0.00 H new ATOM 0 HD21 LEU B 27 12.652 0.889 3.336 1.00 0.00 H new ATOM 0 HD22 LEU B 27 11.708 1.181 1.856 1.00 0.00 H new ATOM 0 HD23 LEU B 27 12.862 -0.172 1.923 1.00 0.00 H new ATOM 996 N LYS B 28 14.538 2.191 -2.847 1.00 0.00 N ATOM 997 CA LYS B 28 15.059 1.698 -4.120 1.00 0.00 C ATOM 998 C LYS B 28 16.231 2.538 -4.613 1.00 0.00 C ATOM 999 O LYS B 28 17.065 2.059 -5.374 1.00 0.00 O ATOM 1000 CB LYS B 28 13.964 1.686 -5.191 1.00 0.00 C ATOM 1001 CG LYS B 28 13.081 0.450 -5.160 1.00 0.00 C ATOM 1002 CD LYS B 28 13.875 -0.806 -5.492 1.00 0.00 C ATOM 1003 CE LYS B 28 12.982 -2.031 -5.578 1.00 0.00 C ATOM 1004 NZ LYS B 28 11.999 -1.933 -6.689 1.00 0.00 N ATOM 0 H LYS B 28 13.561 2.483 -2.882 1.00 0.00 H new ATOM 0 HA LYS B 28 15.408 0.680 -3.945 1.00 0.00 H new ATOM 0 HB2 LYS B 28 13.338 2.570 -5.066 1.00 0.00 H new ATOM 0 HB3 LYS B 28 14.430 1.762 -6.173 1.00 0.00 H new ATOM 0 HG2 LYS B 28 12.630 0.347 -4.173 1.00 0.00 H new ATOM 0 HG3 LYS B 28 12.265 0.566 -5.873 1.00 0.00 H new ATOM 0 HD2 LYS B 28 14.395 -0.668 -6.440 1.00 0.00 H new ATOM 0 HD3 LYS B 28 14.638 -0.965 -4.731 1.00 0.00 H new ATOM 0 HE2 LYS B 28 13.599 -2.919 -5.718 1.00 0.00 H new ATOM 0 HE3 LYS B 28 12.450 -2.158 -4.635 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 11.590 -2.871 -6.874 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 11.242 -1.271 -6.425 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 12.477 -1.588 -7.546 1.00 0.00 H new ATOM 1018 N LYS B 29 16.284 3.792 -4.191 1.00 0.00 N ATOM 1019 CA LYS B 29 17.366 4.679 -4.593 1.00 0.00 C ATOM 1020 C LYS B 29 18.634 4.363 -3.804 1.00 0.00 C ATOM 1021 O LYS B 29 19.741 4.410 -4.340 1.00 0.00 O ATOM 1022 CB LYS B 29 16.955 6.139 -4.387 1.00 0.00 C ATOM 1023 CG LYS B 29 17.939 7.140 -4.968 1.00 0.00 C ATOM 1024 CD LYS B 29 17.453 8.568 -4.778 1.00 0.00 C ATOM 1025 CE LYS B 29 18.398 9.567 -5.422 1.00 0.00 C ATOM 1026 NZ LYS B 29 19.762 9.502 -4.839 1.00 0.00 N ATOM 0 H LYS B 29 15.594 4.218 -3.573 1.00 0.00 H new ATOM 0 HA LYS B 29 17.573 4.522 -5.652 1.00 0.00 H new ATOM 0 HB2 LYS B 29 15.977 6.299 -4.841 1.00 0.00 H new ATOM 0 HB3 LYS B 29 16.845 6.329 -3.319 1.00 0.00 H new ATOM 0 HG2 LYS B 29 18.911 7.018 -4.489 1.00 0.00 H new ATOM 0 HG3 LYS B 29 18.080 6.940 -6.030 1.00 0.00 H new ATOM 0 HD2 LYS B 29 16.458 8.676 -5.210 1.00 0.00 H new ATOM 0 HD3 LYS B 29 17.363 8.784 -3.713 1.00 0.00 H new ATOM 0 HE2 LYS B 29 18.453 9.375 -6.494 1.00 0.00 H new ATOM 0 HE3 LYS B 29 17.999 10.574 -5.299 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 20.320 10.315 -5.169 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 19.697 9.525 -3.801 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 20.226 8.620 -5.138 1.00 0.00 H new ATOM 1040 N LEU B 30 18.457 4.011 -2.538 1.00 0.00 N ATOM 1041 CA LEU B 30 19.576 3.662 -1.668 1.00 0.00 C ATOM 1042 C LEU B 30 20.068 2.255 -1.972 1.00 0.00 C ATOM 1043 O LEU B 30 21.266 1.981 -1.928 1.00 0.00 O ATOM 1044 CB LEU B 30 19.185 3.776 -0.191 1.00 0.00 C ATOM 1045 CG LEU B 30 19.192 5.195 0.389 1.00 0.00 C ATOM 1046 CD1 LEU B 30 18.108 6.055 -0.237 1.00 0.00 C ATOM 1047 CD2 LEU B 30 19.026 5.149 1.898 1.00 0.00 C ATOM 0 H LEU B 30 17.544 3.959 -2.087 1.00 0.00 H new ATOM 0 HA LEU B 30 20.383 4.369 -1.862 1.00 0.00 H new ATOM 0 HB2 LEU B 30 18.187 3.356 -0.065 1.00 0.00 H new ATOM 0 HB3 LEU B 30 19.867 3.160 0.395 1.00 0.00 H new ATOM 0 HG LEU B 30 20.155 5.648 0.153 1.00 0.00 H new ATOM 0 HD11 LEU B 30 18.141 7.055 0.197 1.00 0.00 H new ATOM 0 HD12 LEU B 30 18.271 6.121 -1.313 1.00 0.00 H new ATOM 0 HD13 LEU B 30 17.133 5.608 -0.045 1.00 0.00 H new ATOM 0 HD21 LEU B 30 19.033 6.164 2.296 1.00 0.00 H new ATOM 0 HD22 LEU B 30 18.079 4.669 2.145 1.00 0.00 H new ATOM 0 HD23 LEU B 30 19.847 4.582 2.337 1.00 0.00 H new ATOM 1059 N VAL B 31 19.138 1.362 -2.287 1.00 0.00 N ATOM 1060 CA VAL B 31 19.494 0.025 -2.740 1.00 0.00 C ATOM 1061 C VAL B 31 20.038 0.120 -4.161 1.00 0.00 C ATOM 1062 O VAL B 31 20.813 -0.725 -4.615 1.00 0.00 O ATOM 1063 CB VAL B 31 18.275 -0.929 -2.699 1.00 0.00 C ATOM 1064 CG1 VAL B 31 18.637 -2.311 -3.223 1.00 0.00 C ATOM 1065 CG2 VAL B 31 17.723 -1.026 -1.286 1.00 0.00 C ATOM 0 H VAL B 31 18.135 1.539 -2.237 1.00 0.00 H new ATOM 0 HA VAL B 31 20.252 -0.384 -2.072 1.00 0.00 H new ATOM 0 HB VAL B 31 17.505 -0.515 -3.349 1.00 0.00 H new ATOM 0 HG11 VAL B 31 17.760 -2.957 -3.181 1.00 0.00 H new ATOM 0 HG12 VAL B 31 18.980 -2.231 -4.255 1.00 0.00 H new ATOM 0 HG13 VAL B 31 19.431 -2.736 -2.609 1.00 0.00 H new ATOM 0 HG21 VAL B 31 16.867 -1.700 -1.275 1.00 0.00 H new ATOM 0 HG22 VAL B 31 18.495 -1.409 -0.619 1.00 0.00 H new ATOM 0 HG23 VAL B 31 17.411 -0.038 -0.949 1.00 0.00 H new ATOM 1075 N GLY B 32 19.636 1.183 -4.839 1.00 0.00 N ATOM 1076 CA GLY B 32 20.110 1.457 -6.173 1.00 0.00 C ATOM 1077 C GLY B 32 21.574 1.844 -6.191 1.00 0.00 C ATOM 1078 O GLY B 32 22.386 1.191 -6.847 1.00 0.00 O ATOM 0 H GLY B 32 18.976 1.872 -4.477 1.00 0.00 H new ATOM 0 HA2 GLY B 32 19.961 0.576 -6.798 1.00 0.00 H new ATOM 0 HA3 GLY B 32 19.518 2.261 -6.609 1.00 0.00 H new ATOM 1082 N GLU B 33 21.910 2.904 -5.469 1.00 0.00 N ATOM 1083 CA GLU B 33 23.288 3.358 -5.376 1.00 0.00 C ATOM 1084 C GLU B 33 23.577 3.927 -3.987 1.00 0.00 C ATOM 1085 O GLU B 33 24.210 3.215 -3.180 1.00 0.00 O ATOM 1086 CB GLU B 33 23.603 4.386 -6.471 1.00 0.00 C ATOM 1087 CG GLU B 33 22.584 5.508 -6.592 1.00 0.00 C ATOM 1088 CD GLU B 33 22.972 6.536 -7.634 1.00 0.00 C ATOM 1089 OE1 GLU B 33 23.674 7.507 -7.277 1.00 0.00 O ATOM 1090 OE2 GLU B 33 22.577 6.372 -8.806 1.00 0.00 O ATOM 1091 OXT GLU B 33 23.161 5.069 -3.700 1.00 0.00 O ATOM 0 H GLU B 33 21.244 3.466 -4.938 1.00 0.00 H new ATOM 0 HA GLU B 33 23.940 2.498 -5.531 1.00 0.00 H new ATOM 0 HB2 GLU B 33 24.582 4.821 -6.273 1.00 0.00 H new ATOM 0 HB3 GLU B 33 23.672 3.869 -7.428 1.00 0.00 H new ATOM 0 HG2 GLU B 33 21.612 5.086 -6.848 1.00 0.00 H new ATOM 0 HG3 GLU B 33 22.473 5.999 -5.625 1.00 0.00 H new TER 1098 GLU B 33