USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 494 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 35 ASN : amide:sc= -7.43! C(o=-8.1!,f=-11!) USER MOD Set 1.2: A 38 ASN : amide:sc= -0.689! C(o=-8.1!,f=-13!) USER MOD Set 2.1: A 26 TYR OH : rot 180:sc= 0.435 USER MOD Set 2.2: A 36 THR OG1 : rot 117:sc= 0.475 USER MOD Set 3.1: A 14 LYS NZ :NH3+ 154:sc= -0.408 (180deg=-0.236) USER MOD Set 3.2: A 16 ASN : amide:sc= -5.72! C(o=-6.1!,f=-8.5!) USER MOD Single : A 4 LYS NZ :NH3+ 167:sc= 0.0646 (180deg=0.0325) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.722 K(o=-0.72,f=-8.5!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 3:sc= 0.39! USER MOD Single : A 42 ASN : amide:sc= -4.75! C(o=-4.8!,f=-7.4!) USER MOD Single : A 48 ASN : amide:sc= -3.17 K(o=-3.2,f=-10!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 136:sc= -0.0848 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 0.084 10.625 9.221 1.00 0.00 N ATOM 44 CA LYS A 4 0.922 9.438 9.169 1.00 0.00 C ATOM 45 C LYS A 4 0.616 8.659 7.888 1.00 0.00 C ATOM 46 O LYS A 4 0.083 7.551 7.943 1.00 0.00 O ATOM 47 CB LYS A 4 0.759 8.611 10.445 1.00 0.00 C ATOM 48 CG LYS A 4 2.054 7.874 10.791 1.00 0.00 C ATOM 49 CD LYS A 4 2.397 8.031 12.273 1.00 0.00 C ATOM 50 CE LYS A 4 3.853 7.646 12.543 1.00 0.00 C ATOM 51 NZ LYS A 4 3.954 6.838 13.779 1.00 0.00 N ATOM 0 HA LYS A 4 1.975 9.716 9.130 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.476 9.263 11.271 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.049 7.891 10.315 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.950 6.816 10.549 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.871 8.262 10.182 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.227 9.062 12.582 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.735 7.405 12.871 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.249 7.081 11.699 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.462 8.545 12.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.897 6.402 13.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.808 7.450 14.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.229 6.093 13.767 1.00 0.00 H new ATOM 65 N LEU A 5 0.965 9.268 6.765 1.00 0.00 N ATOM 66 CA LEU A 5 0.734 8.646 5.472 1.00 0.00 C ATOM 67 C LEU A 5 1.847 7.633 5.194 1.00 0.00 C ATOM 68 O LEU A 5 3.026 7.939 5.363 1.00 0.00 O ATOM 69 CB LEU A 5 0.585 9.710 4.384 1.00 0.00 C ATOM 70 CG LEU A 5 -0.798 9.817 3.737 1.00 0.00 C ATOM 71 CD1 LEU A 5 -1.905 9.668 4.783 1.00 0.00 C ATOM 72 CD2 LEU A 5 -0.932 11.118 2.942 1.00 0.00 C ATOM 0 H LEU A 5 1.406 10.187 6.723 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.207 8.095 5.476 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.840 10.679 4.813 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.316 9.506 3.601 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.910 8.995 3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.878 9.748 4.297 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.820 8.695 5.267 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.807 10.455 5.531 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.924 11.169 2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.792 11.968 3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.176 11.144 2.157 1.00 0.00 H new ATOM 84 N TYR A 6 1.433 6.448 4.770 1.00 0.00 N ATOM 85 CA TYR A 6 2.380 5.389 4.466 1.00 0.00 C ATOM 86 C TYR A 6 1.835 4.464 3.375 1.00 0.00 C ATOM 87 O TYR A 6 0.753 3.897 3.519 1.00 0.00 O ATOM 88 CB TYR A 6 2.547 4.588 5.759 1.00 0.00 C ATOM 89 CG TYR A 6 3.893 3.871 5.877 1.00 0.00 C ATOM 90 CD1 TYR A 6 4.164 2.778 5.081 1.00 0.00 C ATOM 91 CD2 TYR A 6 4.836 4.317 6.780 1.00 0.00 C ATOM 92 CE1 TYR A 6 5.431 2.102 5.192 1.00 0.00 C ATOM 93 CE2 TYR A 6 6.103 3.642 6.892 1.00 0.00 C ATOM 94 CZ TYR A 6 6.338 2.568 6.092 1.00 0.00 C ATOM 95 OH TYR A 6 7.535 1.931 6.197 1.00 0.00 O ATOM 0 H TYR A 6 0.454 6.198 4.630 1.00 0.00 H new ATOM 0 HA TYR A 6 3.321 5.807 4.108 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.429 5.261 6.609 1.00 0.00 H new ATOM 0 HB3 TYR A 6 1.747 3.850 5.823 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.426 2.429 4.374 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.624 5.173 7.403 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.656 1.245 4.575 1.00 0.00 H new ATOM 0 HE2 TYR A 6 6.849 3.981 7.595 1.00 0.00 H new ATOM 0 HH TYR A 6 8.083 2.374 6.878 1.00 0.00 H new ATOM 105 N GLY A 7 2.611 4.341 2.308 1.00 0.00 N ATOM 106 CA GLY A 7 2.221 3.494 1.193 1.00 0.00 C ATOM 107 C GLY A 7 1.457 4.297 0.136 1.00 0.00 C ATOM 108 O GLY A 7 0.804 3.721 -0.732 1.00 0.00 O ATOM 0 H GLY A 7 3.508 4.813 2.192 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.108 3.046 0.744 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.598 2.675 1.554 1.00 0.00 H new ATOM 112 N ASP A 8 1.567 5.612 0.246 1.00 0.00 N ATOM 113 CA ASP A 8 0.896 6.500 -0.688 1.00 0.00 C ATOM 114 C ASP A 8 1.472 6.288 -2.090 1.00 0.00 C ATOM 115 O ASP A 8 2.448 6.934 -2.468 1.00 0.00 O ATOM 116 CB ASP A 8 1.108 7.966 -0.306 1.00 0.00 C ATOM 117 CG ASP A 8 -0.164 8.728 0.068 1.00 0.00 C ATOM 118 OD1 ASP A 8 -1.244 8.288 -0.384 1.00 0.00 O ATOM 119 OD2 ASP A 8 -0.030 9.734 0.797 1.00 0.00 O ATOM 0 H ASP A 8 2.111 6.085 0.968 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.170 6.272 -0.662 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.800 8.010 0.535 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.587 8.477 -1.141 1.00 0.00 H new ATOM 124 N VAL A 9 0.844 5.380 -2.823 1.00 0.00 N ATOM 125 CA VAL A 9 1.282 5.075 -4.174 1.00 0.00 C ATOM 126 C VAL A 9 1.178 6.335 -5.035 1.00 0.00 C ATOM 127 O VAL A 9 2.181 6.812 -5.566 1.00 0.00 O ATOM 128 CB VAL A 9 0.476 3.901 -4.733 1.00 0.00 C ATOM 129 CG1 VAL A 9 0.988 3.493 -6.116 1.00 0.00 C ATOM 130 CG2 VAL A 9 0.497 2.713 -3.768 1.00 0.00 C ATOM 0 H VAL A 9 0.035 4.846 -2.506 1.00 0.00 H new ATOM 0 HA VAL A 9 2.327 4.765 -4.176 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.559 4.227 -4.842 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.398 2.657 -6.490 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.897 4.336 -6.801 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.034 3.195 -6.043 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.083 1.892 -4.189 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.526 2.388 -3.613 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.063 3.012 -2.814 1.00 0.00 H new ATOM 140 N ASN A 10 -0.043 6.838 -5.148 1.00 0.00 N ATOM 141 CA ASN A 10 -0.290 8.033 -5.938 1.00 0.00 C ATOM 142 C ASN A 10 -0.538 9.215 -4.999 1.00 0.00 C ATOM 143 O ASN A 10 -1.260 10.147 -5.347 1.00 0.00 O ATOM 144 CB ASN A 10 -1.526 7.863 -6.822 1.00 0.00 C ATOM 145 CG ASN A 10 -2.691 7.266 -6.027 1.00 0.00 C ATOM 146 OD1 ASN A 10 -2.620 7.069 -4.826 1.00 0.00 O ATOM 147 ND2 ASN A 10 -3.762 6.987 -6.765 1.00 0.00 N ATOM 0 H ASN A 10 -0.872 6.440 -4.706 1.00 0.00 H new ATOM 0 HA ASN A 10 0.582 8.208 -6.569 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.819 8.829 -7.233 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.288 7.216 -7.666 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.591 6.583 -6.329 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.755 7.177 -7.767 1.00 0.00 H new ATOM 154 N ASP A 11 0.074 9.138 -3.827 1.00 0.00 N ATOM 155 CA ASP A 11 -0.072 10.190 -2.835 1.00 0.00 C ATOM 156 C ASP A 11 -1.555 10.526 -2.668 1.00 0.00 C ATOM 157 O ASP A 11 -1.972 11.656 -2.920 1.00 0.00 O ATOM 158 CB ASP A 11 0.656 11.463 -3.273 1.00 0.00 C ATOM 159 CG ASP A 11 2.183 11.380 -3.238 1.00 0.00 C ATOM 160 OD1 ASP A 11 2.705 10.342 -3.697 1.00 0.00 O ATOM 161 OD2 ASP A 11 2.793 12.357 -2.753 1.00 0.00 O ATOM 0 H ASP A 11 0.673 8.363 -3.542 1.00 0.00 H new ATOM 0 HA ASP A 11 0.357 9.833 -1.898 1.00 0.00 H new ATOM 0 HB2 ASP A 11 0.344 11.711 -4.288 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.337 12.285 -2.632 1.00 0.00 H new ATOM 166 N ASP A 12 -2.312 9.524 -2.245 1.00 0.00 N ATOM 167 CA ASP A 12 -3.740 9.699 -2.041 1.00 0.00 C ATOM 168 C ASP A 12 -4.077 9.443 -0.572 1.00 0.00 C ATOM 169 O ASP A 12 -4.679 10.289 0.089 1.00 0.00 O ATOM 170 CB ASP A 12 -4.542 8.711 -2.889 1.00 0.00 C ATOM 171 CG ASP A 12 -5.818 8.181 -2.233 1.00 0.00 C ATOM 172 OD1 ASP A 12 -5.677 7.379 -1.285 1.00 0.00 O ATOM 173 OD2 ASP A 12 -6.906 8.592 -2.692 1.00 0.00 O ATOM 0 H ASP A 12 -1.963 8.588 -2.038 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.999 10.717 -2.331 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.809 9.195 -3.828 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.901 7.865 -3.137 1.00 0.00 H new ATOM 178 N GLY A 13 -3.673 8.272 -0.100 1.00 0.00 N ATOM 179 CA GLY A 13 -3.925 7.893 1.280 1.00 0.00 C ATOM 180 C GLY A 13 -2.855 6.924 1.786 1.00 0.00 C ATOM 181 O GLY A 13 -2.187 7.196 2.783 1.00 0.00 O ATOM 0 H GLY A 13 -3.173 7.573 -0.649 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.941 8.783 1.908 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.908 7.429 1.360 1.00 0.00 H new ATOM 185 N LYS A 14 -2.725 5.813 1.076 1.00 0.00 N ATOM 186 CA LYS A 14 -1.748 4.802 1.441 1.00 0.00 C ATOM 187 C LYS A 14 -1.688 3.737 0.344 1.00 0.00 C ATOM 188 O LYS A 14 -2.287 3.900 -0.718 1.00 0.00 O ATOM 189 CB LYS A 14 -2.053 4.238 2.829 1.00 0.00 C ATOM 190 CG LYS A 14 -3.556 4.270 3.116 1.00 0.00 C ATOM 191 CD LYS A 14 -4.339 3.551 2.017 1.00 0.00 C ATOM 192 CE LYS A 14 -5.846 3.750 2.199 1.00 0.00 C ATOM 193 NZ LYS A 14 -6.350 4.778 1.262 1.00 0.00 N ATOM 0 H LYS A 14 -3.280 5.591 0.250 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.754 5.242 1.513 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.688 3.213 2.897 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.522 4.817 3.585 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.756 3.798 4.078 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.894 5.304 3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.034 3.929 1.041 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.104 2.487 2.035 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.366 2.808 2.028 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.058 4.050 3.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.358 4.608 1.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.233 5.721 1.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.814 4.729 0.372 1.00 0.00 H new ATOM 207 N VAL A 15 -0.959 2.670 0.637 1.00 0.00 N ATOM 208 CA VAL A 15 -0.814 1.578 -0.311 1.00 0.00 C ATOM 209 C VAL A 15 -1.964 0.587 -0.121 1.00 0.00 C ATOM 210 O VAL A 15 -2.059 -0.067 0.916 1.00 0.00 O ATOM 211 CB VAL A 15 0.564 0.932 -0.157 1.00 0.00 C ATOM 212 CG1 VAL A 15 0.677 0.191 1.177 1.00 0.00 C ATOM 213 CG2 VAL A 15 0.865 -0.003 -1.330 1.00 0.00 C ATOM 0 H VAL A 15 -0.462 2.538 1.518 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.872 1.950 -1.334 1.00 0.00 H new ATOM 0 HB VAL A 15 1.309 1.728 -0.162 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.666 -0.259 1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.527 0.893 1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.082 -0.590 1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.850 -0.449 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.112 -0.790 -1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.847 0.564 -2.261 1.00 0.00 H new ATOM 223 N ASN A 16 -2.808 0.508 -1.139 1.00 0.00 N ATOM 224 CA ASN A 16 -3.947 -0.393 -1.098 1.00 0.00 C ATOM 225 C ASN A 16 -4.448 -0.642 -2.522 1.00 0.00 C ATOM 226 O ASN A 16 -4.008 0.019 -3.462 1.00 0.00 O ATOM 227 CB ASN A 16 -5.099 0.213 -0.292 1.00 0.00 C ATOM 228 CG ASN A 16 -5.380 1.651 -0.733 1.00 0.00 C ATOM 229 OD1 ASN A 16 -4.666 2.234 -1.530 1.00 0.00 O ATOM 230 ND2 ASN A 16 -6.460 2.187 -0.170 1.00 0.00 N ATOM 0 H ASN A 16 -2.726 1.053 -1.997 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.625 -1.322 -0.627 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -5.996 -0.393 -0.421 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -4.853 0.196 0.770 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -6.733 3.143 -0.399 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.014 1.642 0.491 1.00 0.00 H new ATOM 237 N SER A 17 -5.360 -1.596 -2.637 1.00 0.00 N ATOM 238 CA SER A 17 -5.923 -1.940 -3.930 1.00 0.00 C ATOM 239 C SER A 17 -6.317 -0.669 -4.685 1.00 0.00 C ATOM 240 O SER A 17 -6.224 -0.616 -5.910 1.00 0.00 O ATOM 241 CB SER A 17 -7.135 -2.862 -3.776 1.00 0.00 C ATOM 242 OG SER A 17 -7.989 -2.819 -4.916 1.00 0.00 O ATOM 0 H SER A 17 -5.723 -2.141 -1.855 1.00 0.00 H new ATOM 0 HA SER A 17 -5.164 -2.474 -4.501 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.794 -3.885 -3.617 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.700 -2.573 -2.889 1.00 0.00 H new ATOM 0 HG SER A 17 -8.749 -3.422 -4.778 1.00 0.00 H new ATOM 248 N THR A 18 -6.748 0.324 -3.922 1.00 0.00 N ATOM 249 CA THR A 18 -7.156 1.592 -4.503 1.00 0.00 C ATOM 250 C THR A 18 -6.075 2.117 -5.451 1.00 0.00 C ATOM 251 O THR A 18 -6.382 2.757 -6.454 1.00 0.00 O ATOM 252 CB THR A 18 -7.480 2.555 -3.358 1.00 0.00 C ATOM 253 OG1 THR A 18 -8.759 2.127 -2.897 1.00 0.00 O ATOM 254 CG2 THR A 18 -7.720 3.985 -3.846 1.00 0.00 C ATOM 0 H THR A 18 -6.824 0.277 -2.906 1.00 0.00 H new ATOM 0 HA THR A 18 -8.052 1.477 -5.113 1.00 0.00 H new ATOM 0 HB THR A 18 -6.663 2.550 -2.637 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.046 2.696 -2.153 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.946 4.627 -2.995 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.826 4.352 -4.350 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.559 3.996 -4.541 1.00 0.00 H new ATOM 262 N ASP A 19 -4.832 1.826 -5.097 1.00 0.00 N ATOM 263 CA ASP A 19 -3.704 2.259 -5.903 1.00 0.00 C ATOM 264 C ASP A 19 -3.271 1.118 -6.825 1.00 0.00 C ATOM 265 O ASP A 19 -2.119 1.064 -7.253 1.00 0.00 O ATOM 266 CB ASP A 19 -2.510 2.636 -5.023 1.00 0.00 C ATOM 267 CG ASP A 19 -2.725 3.860 -4.131 1.00 0.00 C ATOM 268 OD1 ASP A 19 -3.579 4.693 -4.506 1.00 0.00 O ATOM 269 OD2 ASP A 19 -2.030 3.938 -3.096 1.00 0.00 O ATOM 0 H ASP A 19 -4.581 1.295 -4.263 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.017 3.130 -6.479 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.260 1.784 -4.391 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.648 2.820 -5.665 1.00 0.00 H new ATOM 274 N ALA A 20 -4.216 0.231 -7.100 1.00 0.00 N ATOM 275 CA ALA A 20 -3.947 -0.907 -7.962 1.00 0.00 C ATOM 276 C ALA A 20 -3.513 -0.405 -9.341 1.00 0.00 C ATOM 277 O ALA A 20 -2.633 -0.992 -9.970 1.00 0.00 O ATOM 278 CB ALA A 20 -5.186 -1.801 -8.030 1.00 0.00 C ATOM 0 H ALA A 20 -5.169 0.278 -6.741 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.133 -1.510 -7.559 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.984 -2.655 -8.677 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.435 -2.155 -7.029 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.024 -1.232 -8.432 1.00 0.00 H new ATOM 284 N VAL A 21 -4.150 0.674 -9.770 1.00 0.00 N ATOM 285 CA VAL A 21 -3.841 1.261 -11.063 1.00 0.00 C ATOM 286 C VAL A 21 -2.323 1.380 -11.214 1.00 0.00 C ATOM 287 O VAL A 21 -1.775 1.075 -12.272 1.00 0.00 O ATOM 288 CB VAL A 21 -4.564 2.599 -11.217 1.00 0.00 C ATOM 289 CG1 VAL A 21 -4.064 3.356 -12.449 1.00 0.00 C ATOM 290 CG2 VAL A 21 -6.080 2.401 -11.273 1.00 0.00 C ATOM 0 H VAL A 21 -4.879 1.157 -9.245 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.199 0.620 -11.869 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.337 3.203 -10.339 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.595 4.304 -12.534 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.995 3.547 -12.350 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.245 2.757 -13.342 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.570 3.369 -11.383 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.333 1.768 -12.123 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.419 1.925 -10.353 1.00 0.00 H new ATOM 300 N ALA A 22 -1.687 1.825 -10.141 1.00 0.00 N ATOM 301 CA ALA A 22 -0.243 1.989 -10.141 1.00 0.00 C ATOM 302 C ALA A 22 0.419 0.634 -9.886 1.00 0.00 C ATOM 303 O ALA A 22 1.203 0.158 -10.705 1.00 0.00 O ATOM 304 CB ALA A 22 0.152 3.036 -9.098 1.00 0.00 C ATOM 0 H ALA A 22 -2.145 2.077 -9.265 1.00 0.00 H new ATOM 0 HA ALA A 22 0.103 2.348 -11.110 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.235 3.159 -9.098 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.321 3.988 -9.340 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.176 2.709 -8.111 1.00 0.00 H new ATOM 310 N LEU A 23 0.080 0.050 -8.745 1.00 0.00 N ATOM 311 CA LEU A 23 0.633 -1.241 -8.372 1.00 0.00 C ATOM 312 C LEU A 23 0.641 -2.160 -9.595 1.00 0.00 C ATOM 313 O LEU A 23 1.647 -2.807 -9.884 1.00 0.00 O ATOM 314 CB LEU A 23 -0.120 -1.820 -7.173 1.00 0.00 C ATOM 315 CG LEU A 23 -0.254 -3.344 -7.136 1.00 0.00 C ATOM 316 CD1 LEU A 23 1.019 -3.992 -6.589 1.00 0.00 C ATOM 317 CD2 LEU A 23 -1.497 -3.766 -6.351 1.00 0.00 C ATOM 0 H LEU A 23 -0.570 0.447 -8.067 1.00 0.00 H new ATOM 0 HA LEU A 23 1.668 -1.133 -8.047 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.385 -1.497 -6.262 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.120 -1.387 -7.154 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.383 -3.702 -8.158 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.898 -5.075 -6.573 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.863 -3.731 -7.227 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.204 -3.633 -5.577 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.569 -4.854 -6.340 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.424 -3.397 -5.328 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.386 -3.349 -6.825 1.00 0.00 H new ATOM 329 N LYS A 24 -0.492 -2.188 -10.282 1.00 0.00 N ATOM 330 CA LYS A 24 -0.628 -3.017 -11.468 1.00 0.00 C ATOM 331 C LYS A 24 0.589 -2.810 -12.372 1.00 0.00 C ATOM 332 O LYS A 24 1.309 -3.759 -12.679 1.00 0.00 O ATOM 333 CB LYS A 24 -1.963 -2.745 -12.162 1.00 0.00 C ATOM 334 CG LYS A 24 -2.332 -3.888 -13.110 1.00 0.00 C ATOM 335 CD LYS A 24 -3.795 -4.298 -12.932 1.00 0.00 C ATOM 336 CE LYS A 24 -3.924 -5.814 -12.766 1.00 0.00 C ATOM 337 NZ LYS A 24 -5.204 -6.290 -13.335 1.00 0.00 N ATOM 0 H LYS A 24 -1.324 -1.650 -10.040 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.647 -4.072 -11.195 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.747 -2.621 -11.415 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.903 -1.810 -12.720 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.160 -3.580 -14.141 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.685 -4.745 -12.921 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.213 -3.796 -12.059 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.375 -3.973 -13.795 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.091 -6.312 -13.262 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.869 -6.076 -11.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.276 -7.320 -13.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.996 -5.828 -12.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.242 -6.057 -14.348 1.00 0.00 H new ATOM 351 N ARG A 25 0.781 -1.562 -12.775 1.00 0.00 N ATOM 352 CA ARG A 25 1.898 -1.217 -13.638 1.00 0.00 C ATOM 353 C ARG A 25 3.224 -1.513 -12.934 1.00 0.00 C ATOM 354 O ARG A 25 4.181 -1.955 -13.565 1.00 0.00 O ATOM 355 CB ARG A 25 1.855 0.260 -14.032 1.00 0.00 C ATOM 356 CG ARG A 25 1.016 0.468 -15.295 1.00 0.00 C ATOM 357 CD ARG A 25 -0.039 1.555 -15.080 1.00 0.00 C ATOM 358 NE ARG A 25 0.364 2.795 -15.780 1.00 0.00 N ATOM 359 CZ ARG A 25 0.190 3.008 -17.092 1.00 0.00 C ATOM 360 NH1 ARG A 25 -0.379 2.063 -17.854 1.00 0.00 N ATOM 361 NH2 ARG A 25 0.586 4.164 -17.642 1.00 0.00 N ATOM 0 H ARG A 25 0.181 -0.777 -12.520 1.00 0.00 H new ATOM 0 HA ARG A 25 1.819 -1.823 -14.540 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.437 0.846 -13.213 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.868 0.625 -14.200 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.665 0.746 -16.125 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.529 -0.467 -15.570 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.005 1.215 -15.452 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.159 1.751 -14.015 1.00 0.00 H new ATOM 0 HE ARG A 25 0.802 3.534 -15.230 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.679 1.183 -17.435 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.512 2.224 -18.852 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.020 4.882 -17.062 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.453 4.326 -18.640 1.00 0.00 H new ATOM 375 N TYR A 26 3.237 -1.254 -11.634 1.00 0.00 N ATOM 376 CA TYR A 26 4.430 -1.487 -10.838 1.00 0.00 C ATOM 377 C TYR A 26 4.789 -2.973 -10.808 1.00 0.00 C ATOM 378 O TYR A 26 5.966 -3.331 -10.780 1.00 0.00 O ATOM 379 CB TYR A 26 4.084 -1.030 -9.418 1.00 0.00 C ATOM 380 CG TYR A 26 5.240 -1.156 -8.425 1.00 0.00 C ATOM 381 CD1 TYR A 26 6.388 -0.408 -8.603 1.00 0.00 C ATOM 382 CD2 TYR A 26 5.137 -2.016 -7.351 1.00 0.00 C ATOM 383 CE1 TYR A 26 7.477 -0.528 -7.668 1.00 0.00 C ATOM 384 CE2 TYR A 26 6.226 -2.135 -6.416 1.00 0.00 C ATOM 385 CZ TYR A 26 7.342 -1.384 -6.620 1.00 0.00 C ATOM 386 OH TYR A 26 8.371 -1.496 -5.737 1.00 0.00 O ATOM 0 H TYR A 26 2.441 -0.886 -11.113 1.00 0.00 H new ATOM 0 HA TYR A 26 5.281 -0.949 -11.256 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.759 0.010 -9.451 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.240 -1.616 -9.054 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.469 0.266 -9.443 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.239 -2.600 -7.211 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.381 0.049 -7.796 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.158 -2.805 -5.572 1.00 0.00 H new ATOM 0 HH TYR A 26 8.135 -2.142 -5.039 1.00 0.00 H new ATOM 396 N VAL A 27 3.754 -3.800 -10.816 1.00 0.00 N ATOM 397 CA VAL A 27 3.945 -5.241 -10.791 1.00 0.00 C ATOM 398 C VAL A 27 4.207 -5.740 -12.213 1.00 0.00 C ATOM 399 O VAL A 27 5.147 -6.499 -12.445 1.00 0.00 O ATOM 400 CB VAL A 27 2.743 -5.916 -10.131 1.00 0.00 C ATOM 401 CG1 VAL A 27 2.977 -7.421 -9.975 1.00 0.00 C ATOM 402 CG2 VAL A 27 2.421 -5.269 -8.783 1.00 0.00 C ATOM 0 H VAL A 27 2.779 -3.500 -10.839 1.00 0.00 H new ATOM 0 HA VAL A 27 4.816 -5.502 -10.190 1.00 0.00 H new ATOM 0 HB VAL A 27 1.881 -5.776 -10.783 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.107 -7.877 -9.503 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.134 -7.868 -10.956 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.857 -7.590 -9.354 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.562 -5.769 -8.336 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.281 -5.362 -8.120 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.190 -4.214 -8.932 1.00 0.00 H new ATOM 412 N LEU A 28 3.358 -5.295 -13.129 1.00 0.00 N ATOM 413 CA LEU A 28 3.485 -5.687 -14.521 1.00 0.00 C ATOM 414 C LEU A 28 4.871 -5.291 -15.034 1.00 0.00 C ATOM 415 O LEU A 28 5.467 -6.006 -15.839 1.00 0.00 O ATOM 416 CB LEU A 28 2.336 -5.109 -15.348 1.00 0.00 C ATOM 417 CG LEU A 28 1.372 -6.127 -15.963 1.00 0.00 C ATOM 418 CD1 LEU A 28 -0.074 -5.822 -15.567 1.00 0.00 C ATOM 419 CD2 LEU A 28 1.547 -6.200 -17.481 1.00 0.00 C ATOM 0 H LEU A 28 2.579 -4.666 -12.933 1.00 0.00 H new ATOM 0 HA LEU A 28 3.405 -6.770 -14.620 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.763 -4.433 -14.714 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.760 -4.508 -16.153 1.00 0.00 H new ATOM 0 HG LEU A 28 1.614 -7.112 -15.563 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.738 -6.560 -16.017 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.170 -5.861 -14.482 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.346 -4.827 -15.919 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.851 -6.930 -17.893 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.347 -5.222 -17.918 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.568 -6.500 -17.715 1.00 0.00 H new ATOM 431 N ARG A 29 5.344 -4.153 -14.547 1.00 0.00 N ATOM 432 CA ARG A 29 6.649 -3.655 -14.945 1.00 0.00 C ATOM 433 C ARG A 29 7.121 -2.569 -13.976 1.00 0.00 C ATOM 434 O ARG A 29 6.471 -2.310 -12.964 1.00 0.00 O ATOM 435 CB ARG A 29 6.610 -3.080 -16.363 1.00 0.00 C ATOM 436 CG ARG A 29 5.481 -2.058 -16.509 1.00 0.00 C ATOM 437 CD ARG A 29 6.009 -0.632 -16.339 1.00 0.00 C ATOM 438 NE ARG A 29 6.119 0.027 -17.660 1.00 0.00 N ATOM 439 CZ ARG A 29 5.071 0.433 -18.388 1.00 0.00 C ATOM 440 NH1 ARG A 29 3.825 0.249 -17.930 1.00 0.00 N ATOM 441 NH2 ARG A 29 5.267 1.022 -19.576 1.00 0.00 N ATOM 0 H ARG A 29 4.847 -3.562 -13.881 1.00 0.00 H new ATOM 0 HA ARG A 29 7.344 -4.494 -14.923 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.565 -2.608 -16.594 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.471 -3.887 -17.083 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.015 -2.163 -17.489 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.709 -2.255 -15.766 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.341 -0.062 -15.694 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.983 -0.652 -15.851 1.00 0.00 H new ATOM 0 HE ARG A 29 7.053 0.182 -18.040 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.675 -0.200 -17.027 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.027 0.558 -18.485 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.215 1.161 -19.926 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.468 1.331 -20.130 1.00 0.00 H new ATOM 455 N SER A 30 8.248 -1.962 -14.319 1.00 0.00 N ATOM 456 CA SER A 30 8.814 -0.911 -13.491 1.00 0.00 C ATOM 457 C SER A 30 8.927 0.385 -14.297 1.00 0.00 C ATOM 458 O SER A 30 10.021 0.772 -14.707 1.00 0.00 O ATOM 459 CB SER A 30 10.184 -1.317 -12.945 1.00 0.00 C ATOM 460 OG SER A 30 10.319 -1.009 -11.560 1.00 0.00 O ATOM 0 H SER A 30 8.784 -2.178 -15.159 1.00 0.00 H new ATOM 0 HA SER A 30 8.149 -0.748 -12.643 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.332 -2.387 -13.095 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.965 -0.806 -13.508 1.00 0.00 H new ATOM 0 HG SER A 30 11.206 -1.285 -11.249 1.00 0.00 H new ATOM 466 N GLY A 31 7.782 1.020 -14.502 1.00 0.00 N ATOM 467 CA GLY A 31 7.739 2.263 -15.251 1.00 0.00 C ATOM 468 C GLY A 31 7.113 3.384 -14.419 1.00 0.00 C ATOM 469 O GLY A 31 7.684 4.467 -14.299 1.00 0.00 O ATOM 0 H GLY A 31 6.877 0.696 -14.162 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.748 2.547 -15.549 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.164 2.120 -16.166 1.00 0.00 H new ATOM 473 N ILE A 32 5.947 3.085 -13.865 1.00 0.00 N ATOM 474 CA ILE A 32 5.238 4.054 -13.047 1.00 0.00 C ATOM 475 C ILE A 32 6.113 4.448 -11.856 1.00 0.00 C ATOM 476 O ILE A 32 7.049 3.732 -11.504 1.00 0.00 O ATOM 477 CB ILE A 32 3.863 3.513 -12.647 1.00 0.00 C ATOM 478 CG1 ILE A 32 3.995 2.205 -11.865 1.00 0.00 C ATOM 479 CG2 ILE A 32 2.958 3.360 -13.871 1.00 0.00 C ATOM 480 CD1 ILE A 32 4.176 2.476 -10.370 1.00 0.00 C ATOM 0 H ILE A 32 5.476 2.186 -13.967 1.00 0.00 H new ATOM 0 HA ILE A 32 5.045 4.964 -13.616 1.00 0.00 H new ATOM 0 HB ILE A 32 3.390 4.238 -11.984 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.108 1.592 -12.022 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.846 1.637 -12.241 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.987 2.974 -13.560 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.826 4.330 -14.350 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.415 2.666 -14.577 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.267 1.530 -9.837 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.077 3.069 -10.214 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.312 3.023 -9.992 1.00 0.00 H new ATOM 492 N SER A 33 5.778 5.587 -11.266 1.00 0.00 N ATOM 493 CA SER A 33 6.521 6.085 -10.122 1.00 0.00 C ATOM 494 C SER A 33 5.612 6.148 -8.894 1.00 0.00 C ATOM 495 O SER A 33 4.547 6.761 -8.937 1.00 0.00 O ATOM 496 CB SER A 33 7.119 7.463 -10.411 1.00 0.00 C ATOM 497 OG SER A 33 6.179 8.510 -10.183 1.00 0.00 O ATOM 0 H SER A 33 5.001 6.179 -11.560 1.00 0.00 H new ATOM 0 HA SER A 33 7.342 5.397 -9.923 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.995 7.618 -9.781 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.460 7.501 -11.446 1.00 0.00 H new ATOM 0 HG SER A 33 5.345 8.131 -9.836 1.00 0.00 H new ATOM 503 N ILE A 34 6.064 5.504 -7.827 1.00 0.00 N ATOM 504 CA ILE A 34 5.305 5.480 -6.589 1.00 0.00 C ATOM 505 C ILE A 34 6.261 5.632 -5.406 1.00 0.00 C ATOM 506 O ILE A 34 7.471 5.754 -5.592 1.00 0.00 O ATOM 507 CB ILE A 34 4.435 4.223 -6.519 1.00 0.00 C ATOM 508 CG1 ILE A 34 5.298 2.964 -6.411 1.00 0.00 C ATOM 509 CG2 ILE A 34 3.470 4.157 -7.706 1.00 0.00 C ATOM 510 CD1 ILE A 34 4.429 1.706 -6.369 1.00 0.00 C ATOM 0 H ILE A 34 6.947 4.995 -7.795 1.00 0.00 H new ATOM 0 HA ILE A 34 4.614 6.322 -6.550 1.00 0.00 H new ATOM 0 HB ILE A 34 3.829 4.277 -5.614 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.979 2.912 -7.260 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.913 3.016 -5.512 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.864 3.254 -7.632 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.821 5.032 -7.696 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.038 4.137 -8.636 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.067 0.826 -6.292 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.766 1.750 -5.505 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.834 1.644 -7.280 1.00 0.00 H new ATOM 522 N ASN A 35 5.684 5.620 -4.213 1.00 0.00 N ATOM 523 CA ASN A 35 6.470 5.755 -2.999 1.00 0.00 C ATOM 524 C ASN A 35 6.986 4.378 -2.574 1.00 0.00 C ATOM 525 O ASN A 35 6.991 4.052 -1.388 1.00 0.00 O ATOM 526 CB ASN A 35 5.625 6.317 -1.855 1.00 0.00 C ATOM 527 CG ASN A 35 4.800 5.214 -1.188 1.00 0.00 C ATOM 528 OD1 ASN A 35 5.130 4.712 -0.127 1.00 0.00 O ATOM 529 ND2 ASN A 35 3.713 4.865 -1.870 1.00 0.00 N ATOM 0 H ASN A 35 4.680 5.519 -4.062 1.00 0.00 H new ATOM 0 HA ASN A 35 7.295 6.437 -3.206 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.274 6.788 -1.116 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.961 7.093 -2.236 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.097 4.136 -1.510 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.495 5.326 -2.753 1.00 0.00 H new ATOM 536 N THR A 36 7.404 3.606 -3.566 1.00 0.00 N ATOM 537 CA THR A 36 7.921 2.273 -3.310 1.00 0.00 C ATOM 538 C THR A 36 8.760 2.262 -2.031 1.00 0.00 C ATOM 539 O THR A 36 8.837 1.245 -1.344 1.00 0.00 O ATOM 540 CB THR A 36 8.695 1.819 -4.549 1.00 0.00 C ATOM 541 OG1 THR A 36 9.485 0.726 -4.085 1.00 0.00 O ATOM 542 CG2 THR A 36 9.724 2.854 -5.007 1.00 0.00 C ATOM 0 H THR A 36 7.395 3.878 -4.549 1.00 0.00 H new ATOM 0 HA THR A 36 7.113 1.563 -3.136 1.00 0.00 H new ATOM 0 HB THR A 36 7.995 1.618 -5.360 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.219 -0.092 -4.554 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.246 2.483 -5.889 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.217 3.788 -5.251 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.444 3.030 -4.207 1.00 0.00 H new ATOM 550 N ASP A 37 9.367 3.405 -1.750 1.00 0.00 N ATOM 551 CA ASP A 37 10.198 3.539 -0.565 1.00 0.00 C ATOM 552 C ASP A 37 9.486 2.896 0.627 1.00 0.00 C ATOM 553 O ASP A 37 10.015 1.973 1.245 1.00 0.00 O ATOM 554 CB ASP A 37 10.446 5.012 -0.230 1.00 0.00 C ATOM 555 CG ASP A 37 11.838 5.532 -0.590 1.00 0.00 C ATOM 556 OD1 ASP A 37 12.517 4.838 -1.379 1.00 0.00 O ATOM 557 OD2 ASP A 37 12.193 6.611 -0.071 1.00 0.00 O ATOM 0 H ASP A 37 9.300 4.247 -2.322 1.00 0.00 H new ATOM 0 HA ASP A 37 11.151 3.049 -0.764 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.703 5.617 -0.750 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.285 5.158 0.838 1.00 0.00 H new ATOM 562 N ASN A 38 8.299 3.410 0.914 1.00 0.00 N ATOM 563 CA ASN A 38 7.510 2.898 2.022 1.00 0.00 C ATOM 564 C ASN A 38 6.180 2.363 1.489 1.00 0.00 C ATOM 565 O ASN A 38 5.117 2.706 2.005 1.00 0.00 O ATOM 566 CB ASN A 38 7.205 4.000 3.037 1.00 0.00 C ATOM 567 CG ASN A 38 6.867 5.316 2.332 1.00 0.00 C ATOM 568 OD1 ASN A 38 7.564 5.768 1.438 1.00 0.00 O ATOM 569 ND2 ASN A 38 5.762 5.903 2.783 1.00 0.00 N ATOM 0 H ASN A 38 7.864 4.176 0.399 1.00 0.00 H new ATOM 0 HA ASN A 38 8.084 2.110 2.509 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.370 3.697 3.669 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.064 4.144 3.692 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.452 6.786 2.377 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.225 5.470 3.534 1.00 0.00 H new ATOM 576 N ALA A 39 6.281 1.531 0.463 1.00 0.00 N ATOM 577 CA ALA A 39 5.098 0.945 -0.145 1.00 0.00 C ATOM 578 C ALA A 39 4.991 -0.524 0.270 1.00 0.00 C ATOM 579 O ALA A 39 3.937 -0.971 0.721 1.00 0.00 O ATOM 580 CB ALA A 39 5.166 1.118 -1.663 1.00 0.00 C ATOM 0 H ALA A 39 7.164 1.249 0.037 1.00 0.00 H new ATOM 0 HA ALA A 39 4.197 1.452 0.201 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.279 0.679 -2.119 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.211 2.179 -1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.056 0.619 -2.047 1.00 0.00 H new ATOM 586 N ASP A 40 6.097 -1.235 0.104 1.00 0.00 N ATOM 587 CA ASP A 40 6.140 -2.644 0.456 1.00 0.00 C ATOM 588 C ASP A 40 6.320 -2.782 1.969 1.00 0.00 C ATOM 589 O ASP A 40 7.062 -2.016 2.583 1.00 0.00 O ATOM 590 CB ASP A 40 7.316 -3.346 -0.226 1.00 0.00 C ATOM 591 CG ASP A 40 7.772 -4.644 0.444 1.00 0.00 C ATOM 592 OD1 ASP A 40 6.994 -5.620 0.379 1.00 0.00 O ATOM 593 OD2 ASP A 40 8.888 -4.629 1.008 1.00 0.00 O ATOM 0 H ASP A 40 6.970 -0.862 -0.269 1.00 0.00 H new ATOM 0 HA ASP A 40 5.207 -3.102 0.128 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.040 -3.565 -1.258 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.160 -2.657 -0.261 1.00 0.00 H new ATOM 598 N LEU A 41 5.630 -3.766 2.528 1.00 0.00 N ATOM 599 CA LEU A 41 5.705 -4.014 3.957 1.00 0.00 C ATOM 600 C LEU A 41 5.748 -5.524 4.206 1.00 0.00 C ATOM 601 O LEU A 41 5.562 -5.975 5.335 1.00 0.00 O ATOM 602 CB LEU A 41 4.563 -3.303 4.685 1.00 0.00 C ATOM 603 CG LEU A 41 4.390 -1.816 4.369 1.00 0.00 C ATOM 604 CD1 LEU A 41 3.106 -1.570 3.574 1.00 0.00 C ATOM 605 CD2 LEU A 41 4.443 -0.974 5.646 1.00 0.00 C ATOM 0 H LEU A 41 5.017 -4.400 2.017 1.00 0.00 H new ATOM 0 HA LEU A 41 6.623 -3.596 4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.631 -3.816 4.446 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.720 -3.410 5.758 1.00 0.00 H new ATOM 0 HG LEU A 41 5.223 -1.501 3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.007 -0.505 3.363 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.147 -2.124 2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.248 -1.905 4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.318 0.079 5.393 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.643 -1.283 6.319 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.406 -1.117 6.136 1.00 0.00 H new ATOM 617 N ASN A 42 5.993 -6.261 3.134 1.00 0.00 N ATOM 618 CA ASN A 42 6.062 -7.711 3.223 1.00 0.00 C ATOM 619 C ASN A 42 7.183 -8.219 2.314 1.00 0.00 C ATOM 620 O ASN A 42 7.253 -9.411 2.017 1.00 0.00 O ATOM 621 CB ASN A 42 4.752 -8.354 2.763 1.00 0.00 C ATOM 622 CG ASN A 42 3.553 -7.718 3.470 1.00 0.00 C ATOM 623 OD1 ASN A 42 2.921 -6.800 2.972 1.00 0.00 O ATOM 624 ND2 ASN A 42 3.275 -8.256 4.654 1.00 0.00 N ATOM 0 H ASN A 42 6.146 -5.883 2.199 1.00 0.00 H new ATOM 0 HA ASN A 42 6.248 -7.977 4.263 1.00 0.00 H new ATOM 0 HB2 ASN A 42 4.646 -8.240 1.684 1.00 0.00 H new ATOM 0 HB3 ASN A 42 4.775 -9.424 2.970 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.492 -7.902 5.204 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.845 -9.023 5.012 1.00 0.00 H new ATOM 631 N GLU A 43 8.032 -7.291 1.899 1.00 0.00 N ATOM 632 CA GLU A 43 9.146 -7.632 1.030 1.00 0.00 C ATOM 633 C GLU A 43 8.635 -8.269 -0.264 1.00 0.00 C ATOM 634 O GLU A 43 9.285 -9.150 -0.825 1.00 0.00 O ATOM 635 CB GLU A 43 10.135 -8.556 1.743 1.00 0.00 C ATOM 636 CG GLU A 43 11.418 -7.806 2.110 1.00 0.00 C ATOM 637 CD GLU A 43 12.353 -8.692 2.936 1.00 0.00 C ATOM 638 OE1 GLU A 43 11.859 -9.269 3.929 1.00 0.00 O ATOM 639 OE2 GLU A 43 13.540 -8.773 2.555 1.00 0.00 O ATOM 0 H GLU A 43 7.971 -6.304 2.148 1.00 0.00 H new ATOM 0 HA GLU A 43 9.676 -6.714 0.775 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.675 -8.961 2.645 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.376 -9.403 1.100 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.926 -7.482 1.202 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.169 -6.907 2.675 1.00 0.00 H new ATOM 646 N ASP A 44 7.475 -7.800 -0.700 1.00 0.00 N ATOM 647 CA ASP A 44 6.869 -8.313 -1.916 1.00 0.00 C ATOM 648 C ASP A 44 6.835 -7.205 -2.970 1.00 0.00 C ATOM 649 O ASP A 44 6.938 -7.477 -4.166 1.00 0.00 O ATOM 650 CB ASP A 44 5.431 -8.771 -1.664 1.00 0.00 C ATOM 651 CG ASP A 44 5.233 -9.616 -0.404 1.00 0.00 C ATOM 652 OD1 ASP A 44 6.229 -10.236 0.027 1.00 0.00 O ATOM 653 OD2 ASP A 44 4.089 -9.621 0.101 1.00 0.00 O ATOM 0 H ASP A 44 6.939 -7.069 -0.232 1.00 0.00 H new ATOM 0 HA ASP A 44 7.463 -9.161 -2.257 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.792 -7.891 -1.597 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.092 -9.346 -2.526 1.00 0.00 H new ATOM 658 N GLY A 45 6.689 -5.979 -2.490 1.00 0.00 N ATOM 659 CA GLY A 45 6.640 -4.828 -3.375 1.00 0.00 C ATOM 660 C GLY A 45 5.471 -3.908 -3.015 1.00 0.00 C ATOM 661 O GLY A 45 5.629 -2.690 -2.964 1.00 0.00 O ATOM 0 H GLY A 45 6.603 -5.758 -1.498 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.577 -4.274 -3.309 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.539 -5.163 -4.407 1.00 0.00 H new ATOM 665 N ARG A 46 4.325 -4.528 -2.774 1.00 0.00 N ATOM 666 CA ARG A 46 3.130 -3.780 -2.421 1.00 0.00 C ATOM 667 C ARG A 46 2.050 -4.724 -1.891 1.00 0.00 C ATOM 668 O ARG A 46 2.005 -5.015 -0.696 1.00 0.00 O ATOM 669 CB ARG A 46 2.582 -3.015 -3.626 1.00 0.00 C ATOM 670 CG ARG A 46 3.052 -1.559 -3.613 1.00 0.00 C ATOM 671 CD ARG A 46 2.071 -0.659 -4.365 1.00 0.00 C ATOM 672 NE ARG A 46 0.695 -0.885 -3.871 1.00 0.00 N ATOM 673 CZ ARG A 46 -0.396 -0.307 -4.394 1.00 0.00 C ATOM 674 NH1 ARG A 46 -0.277 0.534 -5.431 1.00 0.00 N ATOM 675 NH2 ARG A 46 -1.605 -0.571 -3.880 1.00 0.00 N ATOM 0 H ARG A 46 4.199 -5.539 -2.816 1.00 0.00 H new ATOM 0 HA ARG A 46 3.405 -3.065 -1.646 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.909 -3.498 -4.547 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.493 -3.049 -3.618 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.151 -1.214 -2.584 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.039 -1.488 -4.069 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.347 0.387 -4.230 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.121 -0.866 -5.434 1.00 0.00 H new ATOM 0 HE ARG A 46 0.568 -1.520 -3.083 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.643 0.734 -5.822 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.107 0.974 -5.829 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.695 -1.211 -3.091 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.435 -0.132 -4.278 1.00 0.00 H new ATOM 689 N VAL A 47 1.206 -5.180 -2.805 1.00 0.00 N ATOM 690 CA VAL A 47 0.130 -6.086 -2.445 1.00 0.00 C ATOM 691 C VAL A 47 -0.063 -7.114 -3.563 1.00 0.00 C ATOM 692 O VAL A 47 -0.656 -6.807 -4.595 1.00 0.00 O ATOM 693 CB VAL A 47 -1.141 -5.292 -2.137 1.00 0.00 C ATOM 694 CG1 VAL A 47 -0.921 -4.339 -0.961 1.00 0.00 C ATOM 695 CG2 VAL A 47 -1.629 -4.536 -3.374 1.00 0.00 C ATOM 0 H VAL A 47 1.246 -4.938 -3.795 1.00 0.00 H new ATOM 0 HA VAL A 47 0.382 -6.636 -1.538 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.918 -6.001 -1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.840 -3.787 -0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.644 -4.911 -0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.122 -3.638 -1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.534 -3.980 -3.127 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.856 -3.843 -3.705 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.846 -5.246 -4.172 1.00 0.00 H new ATOM 705 N ASN A 48 0.451 -8.310 -3.319 1.00 0.00 N ATOM 706 CA ASN A 48 0.342 -9.384 -4.292 1.00 0.00 C ATOM 707 C ASN A 48 -1.029 -10.048 -4.161 1.00 0.00 C ATOM 708 O ASN A 48 -1.605 -10.490 -5.155 1.00 0.00 O ATOM 709 CB ASN A 48 1.410 -10.453 -4.053 1.00 0.00 C ATOM 710 CG ASN A 48 2.656 -9.848 -3.402 1.00 0.00 C ATOM 711 OD1 ASN A 48 3.150 -10.320 -2.391 1.00 0.00 O ATOM 712 ND2 ASN A 48 3.133 -8.781 -4.035 1.00 0.00 N ATOM 0 H ASN A 48 0.944 -8.559 -2.462 1.00 0.00 H new ATOM 0 HA ASN A 48 0.477 -8.955 -5.285 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.007 -11.239 -3.414 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.681 -10.920 -5.000 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.962 -8.305 -3.679 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.670 -8.438 -4.877 1.00 0.00 H new ATOM 719 N SER A 49 -1.514 -10.097 -2.929 1.00 0.00 N ATOM 720 CA SER A 49 -2.808 -10.699 -2.657 1.00 0.00 C ATOM 721 C SER A 49 -3.017 -10.828 -1.147 1.00 0.00 C ATOM 722 O SER A 49 -4.144 -10.733 -0.663 1.00 0.00 O ATOM 723 CB SER A 49 -2.930 -12.068 -3.328 1.00 0.00 C ATOM 724 OG SER A 49 -4.092 -12.160 -4.148 1.00 0.00 O ATOM 0 H SER A 49 -1.034 -9.729 -2.108 1.00 0.00 H new ATOM 0 HA SER A 49 -3.581 -10.051 -3.071 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.043 -12.255 -3.934 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.963 -12.844 -2.564 1.00 0.00 H new ATOM 0 HG SER A 49 -4.132 -13.048 -4.560 1.00 0.00 H new ATOM 730 N THR A 50 -1.915 -11.041 -0.445 1.00 0.00 N ATOM 731 CA THR A 50 -1.963 -11.183 1.001 1.00 0.00 C ATOM 732 C THR A 50 -1.847 -9.815 1.675 1.00 0.00 C ATOM 733 O THR A 50 -2.774 -9.370 2.351 1.00 0.00 O ATOM 734 CB THR A 50 -0.863 -12.162 1.417 1.00 0.00 C ATOM 735 OG1 THR A 50 -1.446 -13.447 1.212 1.00 0.00 O ATOM 736 CG2 THR A 50 -0.578 -12.117 2.919 1.00 0.00 C ATOM 0 H THR A 50 -0.982 -11.119 -0.850 1.00 0.00 H new ATOM 0 HA THR A 50 -2.920 -11.590 1.327 1.00 0.00 H new ATOM 0 HB THR A 50 0.051 -11.937 0.867 1.00 0.00 H new ATOM 0 HG1 THR A 50 -0.800 -14.142 1.456 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.210 -12.830 3.161 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.258 -11.113 3.199 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.483 -12.375 3.469 1.00 0.00 H new ATOM 744 N ASP A 51 -0.700 -9.186 1.470 1.00 0.00 N ATOM 745 CA ASP A 51 -0.449 -7.877 2.050 1.00 0.00 C ATOM 746 C ASP A 51 -1.742 -7.059 2.029 1.00 0.00 C ATOM 747 O ASP A 51 -2.044 -6.344 2.983 1.00 0.00 O ATOM 748 CB ASP A 51 0.608 -7.113 1.250 1.00 0.00 C ATOM 749 CG ASP A 51 1.722 -7.978 0.657 1.00 0.00 C ATOM 750 OD1 ASP A 51 2.325 -8.741 1.442 1.00 0.00 O ATOM 751 OD2 ASP A 51 1.944 -7.856 -0.567 1.00 0.00 O ATOM 0 H ASP A 51 0.067 -9.558 0.910 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.093 -8.022 3.070 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.112 -6.579 0.439 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.059 -6.361 1.898 1.00 0.00 H new ATOM 756 N LEU A 52 -2.470 -7.192 0.929 1.00 0.00 N ATOM 757 CA LEU A 52 -3.724 -6.473 0.772 1.00 0.00 C ATOM 758 C LEU A 52 -4.474 -6.467 2.104 1.00 0.00 C ATOM 759 O LEU A 52 -4.733 -5.405 2.670 1.00 0.00 O ATOM 760 CB LEU A 52 -4.533 -7.057 -0.388 1.00 0.00 C ATOM 761 CG LEU A 52 -5.079 -6.048 -1.399 1.00 0.00 C ATOM 762 CD1 LEU A 52 -4.661 -6.419 -2.824 1.00 0.00 C ATOM 763 CD2 LEU A 52 -6.597 -5.905 -1.267 1.00 0.00 C ATOM 0 H LEU A 52 -2.216 -7.786 0.139 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.537 -5.432 0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.904 -7.771 -0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.372 -7.617 0.026 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.643 -5.074 -1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.062 -5.686 -3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.573 -6.429 -2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.050 -7.407 -3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.959 -5.182 -1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.070 -6.870 -1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.844 -5.561 -0.263 1.00 0.00 H new ATOM 775 N GLY A 53 -4.802 -7.664 2.568 1.00 0.00 N ATOM 776 CA GLY A 53 -5.518 -7.810 3.824 1.00 0.00 C ATOM 777 C GLY A 53 -5.046 -6.776 4.848 1.00 0.00 C ATOM 778 O GLY A 53 -5.696 -5.751 5.045 1.00 0.00 O ATOM 0 H GLY A 53 -4.585 -8.542 2.096 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.588 -7.694 3.652 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.365 -8.814 4.219 1.00 0.00 H new ATOM 782 N ILE A 54 -3.918 -7.081 5.472 1.00 0.00 N ATOM 783 CA ILE A 54 -3.351 -6.190 6.471 1.00 0.00 C ATOM 784 C ILE A 54 -3.528 -4.741 6.015 1.00 0.00 C ATOM 785 O ILE A 54 -4.019 -3.904 6.771 1.00 0.00 O ATOM 786 CB ILE A 54 -1.898 -6.571 6.764 1.00 0.00 C ATOM 787 CG1 ILE A 54 -1.613 -6.531 8.267 1.00 0.00 C ATOM 788 CG2 ILE A 54 -0.930 -5.687 5.974 1.00 0.00 C ATOM 789 CD1 ILE A 54 -1.709 -5.103 8.806 1.00 0.00 C ATOM 0 H ILE A 54 -3.381 -7.932 5.306 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.880 -6.292 7.418 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.741 -7.598 6.433 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.323 -7.170 8.792 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.618 -6.931 8.463 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.096 -5.978 6.200 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.115 -5.808 4.907 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.081 -4.644 6.252 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.502 -5.103 9.876 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.981 -4.472 8.296 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.712 -4.715 8.631 1.00 0.00 H new ATOM 801 N LEU A 55 -3.120 -4.489 4.780 1.00 0.00 N ATOM 802 CA LEU A 55 -3.226 -3.154 4.215 1.00 0.00 C ATOM 803 C LEU A 55 -4.658 -2.643 4.392 1.00 0.00 C ATOM 804 O LEU A 55 -4.881 -1.625 5.045 1.00 0.00 O ATOM 805 CB LEU A 55 -2.747 -3.149 2.762 1.00 0.00 C ATOM 806 CG LEU A 55 -1.275 -2.795 2.542 1.00 0.00 C ATOM 807 CD1 LEU A 55 -0.856 -1.620 3.428 1.00 0.00 C ATOM 808 CD2 LEU A 55 -0.380 -4.018 2.751 1.00 0.00 C ATOM 0 H LEU A 55 -2.716 -5.186 4.155 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.572 -2.462 4.745 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.930 -4.136 2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.358 -2.442 2.201 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.151 -2.478 1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.195 -1.388 3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.465 -0.748 3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.999 -1.885 4.476 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.661 -3.739 2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.502 -4.388 3.769 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.661 -4.799 2.045 1.00 0.00 H new ATOM 820 N LYS A 56 -5.591 -3.374 3.799 1.00 0.00 N ATOM 821 CA LYS A 56 -6.994 -3.008 3.884 1.00 0.00 C ATOM 822 C LYS A 56 -7.488 -3.221 5.316 1.00 0.00 C ATOM 823 O LYS A 56 -8.641 -2.931 5.629 1.00 0.00 O ATOM 824 CB LYS A 56 -7.809 -3.764 2.833 1.00 0.00 C ATOM 825 CG LYS A 56 -8.144 -5.178 3.312 1.00 0.00 C ATOM 826 CD LYS A 56 -9.657 -5.393 3.373 1.00 0.00 C ATOM 827 CE LYS A 56 -10.000 -6.884 3.367 1.00 0.00 C ATOM 828 NZ LYS A 56 -11.087 -7.163 2.401 1.00 0.00 N ATOM 0 H LYS A 56 -5.402 -4.218 3.258 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.126 -1.950 3.656 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.730 -3.220 2.621 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.248 -3.816 1.900 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.696 -5.909 2.639 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.710 -5.344 4.298 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.058 -4.928 4.273 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.132 -4.904 2.523 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.116 -7.465 3.106 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.304 -7.197 4.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.307 -8.179 2.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.935 -6.623 2.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.784 -6.883 1.447 1.00 0.00 H new ATOM 842 N ARG A 57 -6.589 -3.726 6.148 1.00 0.00 N ATOM 843 CA ARG A 57 -6.918 -3.983 7.540 1.00 0.00 C ATOM 844 C ARG A 57 -6.541 -2.778 8.405 1.00 0.00 C ATOM 845 O ARG A 57 -7.373 -2.255 9.145 1.00 0.00 O ATOM 846 CB ARG A 57 -6.188 -5.223 8.060 1.00 0.00 C ATOM 847 CG ARG A 57 -7.101 -6.060 8.957 1.00 0.00 C ATOM 848 CD ARG A 57 -7.166 -5.477 10.370 1.00 0.00 C ATOM 849 NE ARG A 57 -7.939 -6.377 11.254 1.00 0.00 N ATOM 850 CZ ARG A 57 -7.858 -6.368 12.592 1.00 0.00 C ATOM 851 NH1 ARG A 57 -7.037 -5.507 13.207 1.00 0.00 N ATOM 852 NH2 ARG A 57 -8.597 -7.221 13.315 1.00 0.00 N ATOM 0 H ARG A 57 -5.633 -3.964 5.885 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.992 -4.157 7.600 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.845 -5.827 7.220 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.302 -4.921 8.618 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.103 -6.097 8.529 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.734 -7.086 8.999 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.158 -5.344 10.764 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.631 -4.491 10.345 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.573 -7.046 10.818 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.474 -4.858 12.657 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.975 -5.500 14.225 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.222 -7.878 12.847 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.535 -7.213 14.333 1.00 0.00 H new ATOM 866 N TYR A 58 -5.285 -2.372 8.283 1.00 0.00 N ATOM 867 CA TYR A 58 -4.788 -1.238 9.044 1.00 0.00 C ATOM 868 C TYR A 58 -5.340 0.078 8.492 1.00 0.00 C ATOM 869 O TYR A 58 -5.704 0.971 9.254 1.00 0.00 O ATOM 870 CB TYR A 58 -3.268 -1.252 8.875 1.00 0.00 C ATOM 871 CG TYR A 58 -2.738 -0.177 7.923 1.00 0.00 C ATOM 872 CD1 TYR A 58 -2.953 1.157 8.202 1.00 0.00 C ATOM 873 CD2 TYR A 58 -2.046 -0.542 6.786 1.00 0.00 C ATOM 874 CE1 TYR A 58 -2.455 2.169 7.306 1.00 0.00 C ATOM 875 CE2 TYR A 58 -1.547 0.469 5.892 1.00 0.00 C ATOM 876 CZ TYR A 58 -1.776 1.775 6.195 1.00 0.00 C ATOM 877 OH TYR A 58 -1.306 2.730 5.349 1.00 0.00 O ATOM 0 H TYR A 58 -4.597 -2.808 7.669 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.093 -1.312 10.088 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.803 -1.119 9.852 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.963 -2.231 8.507 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -3.494 1.442 9.092 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.879 -1.586 6.567 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -2.617 3.217 7.512 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.003 0.197 5.000 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.390 2.507 5.081 1.00 0.00 H new ATOM 887 N ILE A 59 -5.383 0.155 7.170 1.00 0.00 N ATOM 888 CA ILE A 59 -5.884 1.347 6.506 1.00 0.00 C ATOM 889 C ILE A 59 -7.361 1.537 6.854 1.00 0.00 C ATOM 890 O ILE A 59 -7.868 2.657 6.834 1.00 0.00 O ATOM 891 CB ILE A 59 -5.610 1.279 5.003 1.00 0.00 C ATOM 892 CG1 ILE A 59 -6.636 0.387 4.299 1.00 0.00 C ATOM 893 CG2 ILE A 59 -4.174 0.826 4.727 1.00 0.00 C ATOM 894 CD1 ILE A 59 -6.218 0.106 2.854 1.00 0.00 C ATOM 0 H ILE A 59 -5.079 -0.588 6.541 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.356 2.231 6.863 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.717 2.282 4.591 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.739 -0.553 4.841 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.613 0.870 4.311 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.006 0.786 3.651 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.477 1.532 5.178 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.016 -0.164 5.156 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.964 -0.530 2.377 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.140 1.046 2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.252 -0.399 2.846 1.00 0.00 H new ATOM 906 N LEU A 60 -8.010 0.425 7.166 1.00 0.00 N ATOM 907 CA LEU A 60 -9.419 0.454 7.518 1.00 0.00 C ATOM 908 C LEU A 60 -9.694 1.673 8.401 1.00 0.00 C ATOM 909 O LEU A 60 -10.546 2.499 8.078 1.00 0.00 O ATOM 910 CB LEU A 60 -9.842 -0.873 8.151 1.00 0.00 C ATOM 911 CG LEU A 60 -11.199 -1.424 7.711 1.00 0.00 C ATOM 912 CD1 LEU A 60 -11.175 -1.824 6.234 1.00 0.00 C ATOM 913 CD2 LEU A 60 -11.638 -2.582 8.610 1.00 0.00 C ATOM 0 H LEU A 60 -7.586 -0.502 7.182 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.033 0.562 6.624 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.079 -1.619 7.927 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.857 -0.748 9.234 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.940 -0.632 7.819 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.152 -2.213 5.946 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.938 -0.952 5.625 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.418 -2.593 6.077 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.606 -2.956 8.276 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.901 -3.384 8.556 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.720 -2.233 9.639 1.00 0.00 H new ATOM 925 N LYS A 61 -8.957 1.745 9.499 1.00 0.00 N ATOM 926 CA LYS A 61 -9.111 2.849 10.433 1.00 0.00 C ATOM 927 C LYS A 61 -8.066 2.722 11.543 1.00 0.00 C ATOM 928 O LYS A 61 -8.340 3.045 12.698 1.00 0.00 O ATOM 929 CB LYS A 61 -10.550 2.919 10.948 1.00 0.00 C ATOM 930 CG LYS A 61 -11.047 4.365 10.989 1.00 0.00 C ATOM 931 CD LYS A 61 -9.963 5.303 11.523 1.00 0.00 C ATOM 932 CE LYS A 61 -10.558 6.651 11.937 1.00 0.00 C ATOM 933 NZ LYS A 61 -9.508 7.693 11.968 1.00 0.00 N ATOM 0 H LYS A 61 -8.252 1.058 9.764 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.930 3.800 9.932 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.200 2.325 10.305 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.605 2.483 11.946 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.344 4.679 9.989 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.933 4.431 11.620 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.468 4.842 12.378 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.202 5.457 10.758 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.344 6.939 11.238 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.022 6.564 12.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.928 8.601 12.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.772 7.424 12.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.084 7.787 11.023 1.00 0.00 H new ATOM 947 N GLU A 62 -6.890 2.250 11.154 1.00 0.00 N ATOM 948 CA GLU A 62 -5.803 2.077 12.102 1.00 0.00 C ATOM 949 C GLU A 62 -4.554 2.818 11.620 1.00 0.00 C ATOM 950 O GLU A 62 -3.539 2.847 12.313 1.00 0.00 O ATOM 951 CB GLU A 62 -5.507 0.593 12.331 1.00 0.00 C ATOM 952 CG GLU A 62 -6.567 -0.045 13.231 1.00 0.00 C ATOM 953 CD GLU A 62 -5.954 -0.511 14.554 1.00 0.00 C ATOM 954 OE1 GLU A 62 -5.176 0.281 15.129 1.00 0.00 O ATOM 955 OE2 GLU A 62 -6.277 -1.648 14.960 1.00 0.00 O ATOM 0 H GLU A 62 -6.667 1.982 10.195 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.108 2.505 13.057 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.477 0.073 11.374 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.523 0.481 12.786 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.363 0.674 13.428 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.022 -0.892 12.718 1.00 0.00 H new ATOM 962 N ILE A 63 -4.670 3.397 10.434 1.00 0.00 N ATOM 963 CA ILE A 63 -3.563 4.136 9.850 1.00 0.00 C ATOM 964 C ILE A 63 -2.873 4.958 10.941 1.00 0.00 C ATOM 965 O ILE A 63 -3.465 5.883 11.495 1.00 0.00 O ATOM 966 CB ILE A 63 -4.045 4.972 8.662 1.00 0.00 C ATOM 967 CG1 ILE A 63 -2.965 5.961 8.216 1.00 0.00 C ATOM 968 CG2 ILE A 63 -5.367 5.671 8.983 1.00 0.00 C ATOM 969 CD1 ILE A 63 -2.342 5.530 6.887 1.00 0.00 C ATOM 0 H ILE A 63 -5.514 3.369 9.861 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.817 3.451 9.447 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.233 4.301 7.824 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.398 6.956 8.113 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.190 6.028 8.980 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.687 6.258 8.122 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.126 4.924 9.215 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.231 6.330 9.841 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.578 6.250 6.593 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.889 4.545 7.000 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.115 5.488 6.120 1.00 0.00 H new ATOM 981 N ASP A 64 -1.630 4.590 11.217 1.00 0.00 N ATOM 982 CA ASP A 64 -0.853 5.282 12.231 1.00 0.00 C ATOM 983 C ASP A 64 0.413 4.477 12.534 1.00 0.00 C ATOM 984 O ASP A 64 1.465 5.051 12.809 1.00 0.00 O ATOM 985 CB ASP A 64 -1.646 5.423 13.531 1.00 0.00 C ATOM 986 CG ASP A 64 -1.758 6.850 14.070 1.00 0.00 C ATOM 987 OD1 ASP A 64 -1.142 7.741 13.446 1.00 0.00 O ATOM 988 OD2 ASP A 64 -2.459 7.018 15.091 1.00 0.00 O ATOM 0 H ASP A 64 -1.142 3.822 10.756 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.607 6.273 11.850 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.651 5.032 13.370 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.179 4.799 14.293 1.00 0.00 H new ATOM 993 N THR A 65 0.268 3.162 12.473 1.00 0.00 N ATOM 994 CA THR A 65 1.386 2.273 12.737 1.00 0.00 C ATOM 995 C THR A 65 1.413 1.132 11.719 1.00 0.00 C ATOM 996 O THR A 65 2.472 0.786 11.196 1.00 0.00 O ATOM 997 CB THR A 65 1.276 1.792 14.185 1.00 0.00 C ATOM 998 OG1 THR A 65 1.829 0.479 14.159 1.00 0.00 O ATOM 999 CG2 THR A 65 -0.174 1.578 14.623 1.00 0.00 C ATOM 0 H THR A 65 -0.607 2.690 12.245 1.00 0.00 H new ATOM 0 HA THR A 65 2.338 2.791 12.622 1.00 0.00 H new ATOM 0 HB THR A 65 1.750 2.518 14.845 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.799 0.093 15.059 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.195 1.237 15.658 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.722 2.517 14.539 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.640 0.828 13.984 1.00 0.00 H new ATOM 1007 N LEU A 66 0.236 0.578 11.468 1.00 0.00 N ATOM 1008 CA LEU A 66 0.111 -0.517 10.521 1.00 0.00 C ATOM 1009 C LEU A 66 0.781 -1.765 11.099 1.00 0.00 C ATOM 1010 O LEU A 66 1.981 -1.968 10.922 1.00 0.00 O ATOM 1011 CB LEU A 66 0.655 -0.106 9.151 1.00 0.00 C ATOM 1012 CG LEU A 66 0.611 -1.180 8.062 1.00 0.00 C ATOM 1013 CD1 LEU A 66 0.859 -0.571 6.681 1.00 0.00 C ATOM 1014 CD2 LEU A 66 1.589 -2.314 8.372 1.00 0.00 C ATOM 0 H LEU A 66 -0.640 0.867 11.904 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.939 -0.763 10.361 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.091 0.759 8.803 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.689 0.216 9.274 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.390 -1.612 8.048 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.822 -1.356 5.925 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.092 0.173 6.469 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.840 -0.096 6.664 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.538 -3.064 7.583 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.602 -1.915 8.429 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.325 -2.772 9.325 1.00 0.00 H new