USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 757 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 82 CYS SG : rot -139:sc= -1.1 USER MOD Set 1.2: A 93 SER OG : rot -19:sc= -0.139 USER MOD Single : A 8 SER OG : rot 30:sc= 0.0579 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 13 SER OG : rot 44:sc= 0.089 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -5.52! C(o=-5.5!,f=-17!) USER MOD Single : A 19 TYR OH : rot 131:sc= -3.82! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 165:sc= -0.453 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.336 X(o=-0.34,f=-0.069) USER MOD Single : A 30 ASN : amide:sc=-0.00429 X(o=-0.0043,f=0) USER MOD Single : A 31 THR OG1 : rot -170:sc= -0.0421 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -83:sc= 0.107! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -32:sc= -0.29 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0387) USER MOD Single : A 71 GLN : amide:sc= -5.96! C(o=-6!,f=-3.8!) USER MOD Single : A 84 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.6) USER MOD Single : A 85 ASN : amide:sc= -1.84! C(o=-1.8!,f=-1.9!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -101:sc= 1.15 USER MOD Single : A 104 HIS : no HD1:sc= -0.47 X(o=-0.47,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 7 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA LEU A 7 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C LEU A 7 1.884 -1.345 -1.949 1.00 0.00 C ATOM 4 O LEU A 7 1.052 -2.153 -1.539 1.00 0.00 O ATOM 5 CB LEU A 7 3.538 0.360 -0.990 1.00 0.00 C ATOM 6 CG LEU A 7 3.799 1.768 -0.453 1.00 0.00 C ATOM 7 CD1 LEU A 7 5.205 1.877 0.141 1.00 0.00 C ATOM 8 CD2 LEU A 7 3.552 2.822 -1.535 1.00 0.00 C ATOM 0 HA LEU A 7 1.692 0.768 -1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.950 -0.359 -0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.088 0.241 -1.923 1.00 0.00 H new ATOM 0 HG LEU A 7 3.092 1.962 0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.364 2.888 0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.310 1.166 0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.944 1.655 -0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.745 3.814 -1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.218 2.641 -2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.517 2.763 -1.871 1.00 0.00 H new ATOM 20 N SER A 8 2.670 -1.545 -2.997 1.00 0.00 N ATOM 21 CA SER A 8 2.599 -2.778 -3.762 1.00 0.00 C ATOM 22 C SER A 8 3.975 -3.113 -4.343 1.00 0.00 C ATOM 23 O SER A 8 4.934 -2.370 -4.144 1.00 0.00 O ATOM 24 CB SER A 8 1.561 -2.674 -4.881 1.00 0.00 C ATOM 25 OG SER A 8 0.267 -3.083 -4.448 1.00 0.00 O ATOM 0 H SER A 8 3.360 -0.873 -3.334 1.00 0.00 H new ATOM 0 HA SER A 8 2.290 -3.579 -3.091 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.515 -1.645 -5.239 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.873 -3.291 -5.724 1.00 0.00 H new ATOM 0 HG SER A 8 0.169 -2.899 -3.490 1.00 0.00 H new ATOM 31 N LEU A 9 4.026 -4.233 -5.049 1.00 0.00 N ATOM 32 CA LEU A 9 5.268 -4.675 -5.660 1.00 0.00 C ATOM 33 C LEU A 9 5.528 -3.858 -6.927 1.00 0.00 C ATOM 34 O LEU A 9 6.675 -3.550 -7.247 1.00 0.00 O ATOM 35 CB LEU A 9 5.239 -6.186 -5.899 1.00 0.00 C ATOM 36 CG LEU A 9 5.032 -7.058 -4.658 1.00 0.00 C ATOM 37 CD1 LEU A 9 5.483 -8.496 -4.917 1.00 0.00 C ATOM 38 CD2 LEU A 9 5.727 -6.450 -3.439 1.00 0.00 C ATOM 0 H LEU A 9 3.228 -4.847 -5.211 1.00 0.00 H new ATOM 0 HA LEU A 9 6.107 -4.497 -4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.443 -6.406 -6.610 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.177 -6.477 -6.371 1.00 0.00 H new ATOM 0 HG LEU A 9 3.965 -7.090 -4.437 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.325 -9.094 -4.020 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.904 -8.916 -5.740 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.542 -8.504 -5.177 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.564 -7.089 -2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.796 -6.367 -3.633 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.316 -5.460 -3.242 1.00 0.00 H new ATOM 50 N THR A 10 4.443 -3.528 -7.613 1.00 0.00 N ATOM 51 CA THR A 10 4.539 -2.752 -8.837 1.00 0.00 C ATOM 52 C THR A 10 5.381 -1.495 -8.607 1.00 0.00 C ATOM 53 O THR A 10 6.330 -1.236 -9.346 1.00 0.00 O ATOM 54 CB THR A 10 3.119 -2.452 -9.320 1.00 0.00 C ATOM 55 OG1 THR A 10 2.676 -3.684 -9.883 1.00 0.00 O ATOM 56 CG2 THR A 10 3.094 -1.474 -10.496 1.00 0.00 C ATOM 0 H THR A 10 3.493 -3.784 -7.344 1.00 0.00 H new ATOM 0 HA THR A 10 5.052 -3.310 -9.620 1.00 0.00 H new ATOM 0 HB THR A 10 2.535 -2.043 -8.496 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.762 -3.580 -10.220 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.062 -1.296 -10.799 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.552 -0.532 -10.195 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.650 -1.897 -11.333 1.00 0.00 H new ATOM 64 N GLN A 11 5.003 -0.749 -7.580 1.00 0.00 N ATOM 65 CA GLN A 11 5.711 0.475 -7.244 1.00 0.00 C ATOM 66 C GLN A 11 7.089 0.148 -6.664 1.00 0.00 C ATOM 67 O GLN A 11 8.046 0.893 -6.871 1.00 0.00 O ATOM 68 CB GLN A 11 4.897 1.330 -6.272 1.00 0.00 C ATOM 69 CG GLN A 11 4.349 2.578 -6.966 1.00 0.00 C ATOM 70 CD GLN A 11 3.378 3.332 -6.055 1.00 0.00 C ATOM 71 OE1 GLN A 11 2.885 2.813 -5.066 1.00 0.00 O ATOM 72 NE2 GLN A 11 3.131 4.580 -6.441 1.00 0.00 N ATOM 0 H GLN A 11 4.216 -0.968 -6.969 1.00 0.00 H new ATOM 0 HA GLN A 11 5.850 1.054 -8.157 1.00 0.00 H new ATOM 0 HB2 GLN A 11 4.072 0.743 -5.868 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.522 1.623 -5.429 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.173 3.234 -7.246 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.841 2.292 -7.887 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.577 4.952 -7.279 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.495 5.165 -5.899 1.00 0.00 H new ATOM 81 N LEU A 12 7.147 -0.966 -5.950 1.00 0.00 N ATOM 82 CA LEU A 12 8.392 -1.401 -5.339 1.00 0.00 C ATOM 83 C LEU A 12 9.518 -1.317 -6.372 1.00 0.00 C ATOM 84 O LEU A 12 10.631 -0.906 -6.049 1.00 0.00 O ATOM 85 CB LEU A 12 8.228 -2.790 -4.719 1.00 0.00 C ATOM 86 CG LEU A 12 9.143 -3.107 -3.534 1.00 0.00 C ATOM 87 CD1 LEU A 12 10.606 -3.179 -3.975 1.00 0.00 C ATOM 88 CD2 LEU A 12 8.934 -2.105 -2.397 1.00 0.00 C ATOM 0 H LEU A 12 6.351 -1.581 -5.781 1.00 0.00 H new ATOM 0 HA LEU A 12 8.664 -0.740 -4.516 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.194 -2.901 -4.394 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.400 -3.535 -5.495 1.00 0.00 H new ATOM 0 HG LEU A 12 8.875 -4.091 -3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.235 -3.406 -3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.722 -3.962 -4.725 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.905 -2.221 -4.401 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.596 -2.353 -1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.158 -1.099 -2.752 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.898 -2.148 -2.060 1.00 0.00 H new ATOM 100 N SER A 13 9.188 -1.712 -7.593 1.00 0.00 N ATOM 101 CA SER A 13 10.158 -1.686 -8.675 1.00 0.00 C ATOM 102 C SER A 13 9.444 -1.822 -10.021 1.00 0.00 C ATOM 103 O SER A 13 9.682 -2.775 -10.760 1.00 0.00 O ATOM 104 CB SER A 13 11.196 -2.798 -8.510 1.00 0.00 C ATOM 105 OG SER A 13 12.404 -2.318 -7.926 1.00 0.00 O ATOM 0 H SER A 13 8.263 -2.052 -7.857 1.00 0.00 H new ATOM 0 HA SER A 13 10.681 -0.730 -8.643 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.782 -3.591 -7.887 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.414 -3.238 -9.483 1.00 0.00 H new ATOM 0 HG SER A 13 12.191 -1.721 -7.178 1.00 0.00 H new ATOM 111 N SER A 14 8.583 -0.853 -10.298 1.00 0.00 N ATOM 112 CA SER A 14 7.833 -0.853 -11.543 1.00 0.00 C ATOM 113 C SER A 14 7.367 -2.272 -11.874 1.00 0.00 C ATOM 114 O SER A 14 7.205 -2.619 -13.042 1.00 0.00 O ATOM 115 CB SER A 14 8.672 -0.288 -12.691 1.00 0.00 C ATOM 116 OG SER A 14 8.032 0.816 -13.326 1.00 0.00 O ATOM 0 H SER A 14 8.388 -0.063 -9.682 1.00 0.00 H new ATOM 0 HA SER A 14 6.961 -0.212 -11.417 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.644 0.026 -12.310 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.856 -1.072 -13.426 1.00 0.00 H new ATOM 0 HG SER A 14 8.599 1.150 -14.052 1.00 0.00 H new ATOM 122 N GLY A 15 7.166 -3.054 -10.823 1.00 0.00 N ATOM 123 CA GLY A 15 6.722 -4.428 -10.988 1.00 0.00 C ATOM 124 C GLY A 15 7.847 -5.305 -11.543 1.00 0.00 C ATOM 125 O GLY A 15 7.683 -5.950 -12.577 1.00 0.00 O ATOM 0 H GLY A 15 7.302 -2.763 -9.855 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.387 -4.823 -10.029 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.866 -4.459 -11.662 1.00 0.00 H new ATOM 129 N ASN A 16 8.964 -5.300 -10.830 1.00 0.00 N ATOM 130 CA ASN A 16 10.115 -6.087 -11.238 1.00 0.00 C ATOM 131 C ASN A 16 10.132 -7.402 -10.456 1.00 0.00 C ATOM 132 O ASN A 16 10.256 -7.398 -9.232 1.00 0.00 O ATOM 133 CB ASN A 16 11.421 -5.346 -10.946 1.00 0.00 C ATOM 134 CG ASN A 16 12.582 -5.943 -11.743 1.00 0.00 C ATOM 135 OD1 ASN A 16 12.550 -7.084 -12.175 1.00 0.00 O ATOM 136 ND2 ASN A 16 13.605 -5.111 -11.915 1.00 0.00 N ATOM 0 H ASN A 16 9.096 -4.764 -9.973 1.00 0.00 H new ATOM 0 HA ASN A 16 10.036 -6.269 -12.310 1.00 0.00 H new ATOM 0 HB2 ASN A 16 11.308 -4.291 -11.196 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.642 -5.399 -9.880 1.00 0.00 H new ATOM 0 HD21 ASN A 16 14.428 -5.415 -12.435 1.00 0.00 H new ATOM 0 HD22 ASN A 16 13.567 -4.169 -11.527 1.00 0.00 H new ATOM 143 N PRO A 17 10.004 -8.524 -11.213 1.00 0.00 N ATOM 144 CA PRO A 17 10.004 -9.843 -10.604 1.00 0.00 C ATOM 145 C PRO A 17 11.415 -10.250 -10.178 1.00 0.00 C ATOM 146 O PRO A 17 11.596 -11.261 -9.501 1.00 0.00 O ATOM 147 CB PRO A 17 9.412 -10.763 -11.659 1.00 0.00 C ATOM 148 CG PRO A 17 9.534 -10.018 -12.978 1.00 0.00 C ATOM 149 CD PRO A 17 9.856 -8.566 -12.665 1.00 0.00 C ATOM 0 HA PRO A 17 9.418 -9.883 -9.686 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.948 -11.711 -11.695 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.370 -10.994 -11.436 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.318 -10.459 -13.594 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.605 -10.090 -13.544 1.00 0.00 H new ATOM 0 HD2 PRO A 17 10.770 -8.246 -13.166 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.059 -7.902 -13.001 1.00 0.00 H new ATOM 157 N VAL A 18 12.380 -9.443 -10.593 1.00 0.00 N ATOM 158 CA VAL A 18 13.771 -9.707 -10.263 1.00 0.00 C ATOM 159 C VAL A 18 13.881 -10.050 -8.776 1.00 0.00 C ATOM 160 O VAL A 18 14.689 -10.893 -8.389 1.00 0.00 O ATOM 161 CB VAL A 18 14.640 -8.514 -10.668 1.00 0.00 C ATOM 162 CG1 VAL A 18 14.329 -7.291 -9.803 1.00 0.00 C ATOM 163 CG2 VAL A 18 16.126 -8.871 -10.599 1.00 0.00 C ATOM 0 H VAL A 18 12.227 -8.606 -11.155 1.00 0.00 H new ATOM 0 HA VAL A 18 14.141 -10.566 -10.823 1.00 0.00 H new ATOM 0 HB VAL A 18 14.403 -8.262 -11.702 1.00 0.00 H new ATOM 0 HG11 VAL A 18 14.960 -6.457 -10.111 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.281 -7.017 -9.924 1.00 0.00 H new ATOM 0 HG13 VAL A 18 14.524 -7.526 -8.757 1.00 0.00 H new ATOM 0 HG21 VAL A 18 16.722 -8.006 -10.892 1.00 0.00 H new ATOM 0 HG22 VAL A 18 16.384 -9.161 -9.580 1.00 0.00 H new ATOM 0 HG23 VAL A 18 16.333 -9.700 -11.276 1.00 0.00 H new ATOM 173 N TYR A 19 13.058 -9.380 -7.984 1.00 0.00 N ATOM 174 CA TYR A 19 13.053 -9.603 -6.548 1.00 0.00 C ATOM 175 C TYR A 19 12.557 -11.012 -6.215 1.00 0.00 C ATOM 176 O TYR A 19 13.091 -11.666 -5.321 1.00 0.00 O ATOM 177 CB TYR A 19 12.077 -8.580 -5.965 1.00 0.00 C ATOM 178 CG TYR A 19 12.716 -7.232 -5.628 1.00 0.00 C ATOM 179 CD1 TYR A 19 13.317 -7.041 -4.400 1.00 0.00 C ATOM 180 CD2 TYR A 19 12.693 -6.207 -6.552 1.00 0.00 C ATOM 181 CE1 TYR A 19 13.919 -5.772 -4.083 1.00 0.00 C ATOM 182 CE2 TYR A 19 13.295 -4.938 -6.234 1.00 0.00 C ATOM 183 CZ TYR A 19 13.878 -4.783 -5.016 1.00 0.00 C ATOM 184 OH TYR A 19 14.447 -3.584 -4.716 1.00 0.00 O ATOM 0 H TYR A 19 12.389 -8.682 -8.309 1.00 0.00 H new ATOM 0 HA TYR A 19 14.058 -9.500 -6.140 1.00 0.00 H new ATOM 0 HB2 TYR A 19 11.267 -8.419 -6.677 1.00 0.00 H new ATOM 0 HB3 TYR A 19 11.629 -8.994 -5.062 1.00 0.00 H new ATOM 0 HD1 TYR A 19 13.336 -7.843 -3.677 1.00 0.00 H new ATOM 0 HD2 TYR A 19 12.224 -6.357 -7.513 1.00 0.00 H new ATOM 0 HE1 TYR A 19 14.392 -5.609 -3.126 1.00 0.00 H new ATOM 0 HE2 TYR A 19 13.283 -4.127 -6.948 1.00 0.00 H new ATOM 0 HH TYR A 19 15.033 -3.307 -5.451 1.00 0.00 H new ATOM 194 N GLU A 20 11.540 -11.436 -6.951 1.00 0.00 N ATOM 195 CA GLU A 20 10.966 -12.755 -6.745 1.00 0.00 C ATOM 196 C GLU A 20 12.069 -13.814 -6.707 1.00 0.00 C ATOM 197 O GLU A 20 12.020 -14.738 -5.896 1.00 0.00 O ATOM 198 CB GLU A 20 9.932 -13.078 -7.825 1.00 0.00 C ATOM 199 CG GLU A 20 8.550 -13.308 -7.210 1.00 0.00 C ATOM 200 CD GLU A 20 8.187 -14.794 -7.217 1.00 0.00 C ATOM 201 OE1 GLU A 20 7.397 -15.235 -8.065 1.00 0.00 O ATOM 202 OE2 GLU A 20 8.758 -15.499 -6.301 1.00 0.00 O ATOM 0 H GLU A 20 11.099 -10.890 -7.691 1.00 0.00 H new ATOM 0 HA GLU A 20 10.452 -12.760 -5.784 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.883 -12.259 -8.543 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.241 -13.966 -8.376 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.536 -12.931 -6.187 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.802 -12.745 -7.767 1.00 0.00 H new ATOM 210 N LYS A 21 13.038 -13.646 -7.595 1.00 0.00 N ATOM 211 CA LYS A 21 14.151 -14.576 -7.673 1.00 0.00 C ATOM 212 C LYS A 21 14.710 -14.816 -6.269 1.00 0.00 C ATOM 213 O LYS A 21 14.645 -15.932 -5.754 1.00 0.00 O ATOM 214 CB LYS A 21 15.196 -14.078 -8.674 1.00 0.00 C ATOM 215 CG LYS A 21 15.427 -15.106 -9.783 1.00 0.00 C ATOM 216 CD LYS A 21 16.393 -14.566 -10.839 1.00 0.00 C ATOM 217 CE LYS A 21 15.959 -14.986 -12.245 1.00 0.00 C ATOM 218 NZ LYS A 21 17.026 -15.772 -12.903 1.00 0.00 N ATOM 0 H LYS A 21 13.075 -12.879 -8.267 1.00 0.00 H new ATOM 0 HA LYS A 21 13.815 -15.541 -8.052 1.00 0.00 H new ATOM 0 HB2 LYS A 21 14.866 -13.135 -9.110 1.00 0.00 H new ATOM 0 HB3 LYS A 21 16.134 -13.879 -8.157 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.828 -16.025 -9.354 1.00 0.00 H new ATOM 0 HG3 LYS A 21 14.476 -15.361 -10.251 1.00 0.00 H new ATOM 0 HD2 LYS A 21 16.434 -13.479 -10.777 1.00 0.00 H new ATOM 0 HD3 LYS A 21 17.399 -14.935 -10.640 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.045 -15.578 -12.188 1.00 0.00 H new ATOM 0 HE3 LYS A 21 15.730 -14.102 -12.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.715 -16.049 -13.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 17.889 -15.195 -12.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.225 -16.625 -12.342 1.00 0.00 H new ATOM 229 N TYR A 22 15.245 -13.752 -5.690 1.00 0.00 N ATOM 230 CA TYR A 22 15.814 -13.833 -4.355 1.00 0.00 C ATOM 231 C TYR A 22 14.775 -14.325 -3.345 1.00 0.00 C ATOM 232 O TYR A 22 15.074 -15.173 -2.506 1.00 0.00 O ATOM 233 CB TYR A 22 16.230 -12.408 -3.987 1.00 0.00 C ATOM 234 CG TYR A 22 17.037 -11.695 -5.074 1.00 0.00 C ATOM 235 CD1 TYR A 22 18.153 -12.301 -5.615 1.00 0.00 C ATOM 236 CD2 TYR A 22 16.650 -10.445 -5.513 1.00 0.00 C ATOM 237 CE1 TYR A 22 18.912 -11.630 -6.638 1.00 0.00 C ATOM 238 CE2 TYR A 22 17.410 -9.774 -6.536 1.00 0.00 C ATOM 239 CZ TYR A 22 18.504 -10.400 -7.048 1.00 0.00 C ATOM 240 OH TYR A 22 19.221 -9.766 -8.014 1.00 0.00 O ATOM 0 H TYR A 22 15.297 -12.829 -6.120 1.00 0.00 H new ATOM 0 HA TYR A 22 16.651 -14.531 -4.336 1.00 0.00 H new ATOM 0 HB2 TYR A 22 15.336 -11.824 -3.771 1.00 0.00 H new ATOM 0 HB3 TYR A 22 16.820 -12.438 -3.071 1.00 0.00 H new ATOM 0 HD1 TYR A 22 18.457 -13.279 -5.271 1.00 0.00 H new ATOM 0 HD2 TYR A 22 15.777 -9.970 -5.089 1.00 0.00 H new ATOM 0 HE1 TYR A 22 19.786 -12.094 -7.070 1.00 0.00 H new ATOM 0 HE2 TYR A 22 17.118 -8.796 -6.889 1.00 0.00 H new ATOM 0 HH TYR A 22 18.696 -9.022 -8.377 1.00 0.00 H new ATOM 250 N TYR A 23 13.577 -13.773 -3.460 1.00 0.00 N ATOM 251 CA TYR A 23 12.492 -14.145 -2.568 1.00 0.00 C ATOM 252 C TYR A 23 12.273 -15.659 -2.573 1.00 0.00 C ATOM 253 O TYR A 23 11.850 -16.232 -1.570 1.00 0.00 O ATOM 254 CB TYR A 23 11.240 -13.458 -3.116 1.00 0.00 C ATOM 255 CG TYR A 23 9.941 -13.898 -2.438 1.00 0.00 C ATOM 256 CD1 TYR A 23 9.779 -13.722 -1.078 1.00 0.00 C ATOM 257 CD2 TYR A 23 8.933 -14.471 -3.185 1.00 0.00 C ATOM 258 CE1 TYR A 23 8.556 -14.137 -0.440 1.00 0.00 C ATOM 259 CE2 TYR A 23 7.710 -14.886 -2.546 1.00 0.00 C ATOM 260 CZ TYR A 23 7.582 -14.698 -1.206 1.00 0.00 C ATOM 261 OH TYR A 23 6.428 -15.089 -0.603 1.00 0.00 O ATOM 0 H TYR A 23 13.333 -13.070 -4.158 1.00 0.00 H new ATOM 0 HA TYR A 23 12.718 -13.846 -1.544 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.350 -12.380 -3.001 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.166 -13.659 -4.185 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.569 -13.274 -0.493 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.060 -14.609 -4.249 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.416 -14.006 0.623 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.913 -15.336 -3.119 1.00 0.00 H new ATOM 0 HH TYR A 23 5.823 -15.471 -1.272 1.00 0.00 H new ATOM 271 N ARG A 24 12.570 -16.264 -3.714 1.00 0.00 N ATOM 272 CA ARG A 24 12.411 -17.700 -3.863 1.00 0.00 C ATOM 273 C ARG A 24 13.652 -18.429 -3.345 1.00 0.00 C ATOM 274 O ARG A 24 13.576 -19.594 -2.958 1.00 0.00 O ATOM 275 CB ARG A 24 12.180 -18.079 -5.327 1.00 0.00 C ATOM 276 CG ARG A 24 11.836 -19.564 -5.462 1.00 0.00 C ATOM 277 CD ARG A 24 10.397 -19.753 -5.945 1.00 0.00 C ATOM 278 NE ARG A 24 10.389 -20.463 -7.244 1.00 0.00 N ATOM 279 CZ ARG A 24 9.299 -20.589 -8.031 1.00 0.00 C ATOM 280 NH1 ARG A 24 8.119 -20.051 -7.657 1.00 0.00 N ATOM 281 NH2 ARG A 24 9.405 -21.245 -9.171 1.00 0.00 N ATOM 0 H ARG A 24 12.920 -15.785 -4.544 1.00 0.00 H new ATOM 0 HA ARG A 24 11.540 -17.999 -3.280 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.371 -17.476 -5.739 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.073 -17.855 -5.910 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.523 -20.038 -6.163 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.969 -20.060 -4.501 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.829 -20.320 -5.208 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.909 -18.784 -6.048 1.00 0.00 H new ATOM 0 HE ARG A 24 11.261 -20.883 -7.565 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.046 -19.545 -6.774 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.300 -20.150 -8.257 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.301 -21.648 -9.446 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.591 -21.349 -9.777 1.00 0.00 H new ATOM 294 N GLN A 25 14.766 -17.712 -3.353 1.00 0.00 N ATOM 295 CA GLN A 25 16.022 -18.276 -2.888 1.00 0.00 C ATOM 296 C GLN A 25 15.926 -18.635 -1.404 1.00 0.00 C ATOM 297 O GLN A 25 16.432 -19.672 -0.978 1.00 0.00 O ATOM 298 CB GLN A 25 17.184 -17.314 -3.145 1.00 0.00 C ATOM 299 CG GLN A 25 17.546 -17.276 -4.631 1.00 0.00 C ATOM 300 CD GLN A 25 18.922 -16.641 -4.844 1.00 0.00 C ATOM 301 OE1 GLN A 25 19.084 -15.683 -5.582 1.00 0.00 O ATOM 302 NE2 GLN A 25 19.899 -17.225 -4.158 1.00 0.00 N ATOM 0 H GLN A 25 14.825 -16.746 -3.674 1.00 0.00 H new ATOM 0 HA GLN A 25 16.218 -19.189 -3.451 1.00 0.00 H new ATOM 0 HB2 GLN A 25 16.914 -16.313 -2.807 1.00 0.00 H new ATOM 0 HB3 GLN A 25 18.052 -17.623 -2.563 1.00 0.00 H new ATOM 0 HG2 GLN A 25 17.542 -18.288 -5.036 1.00 0.00 H new ATOM 0 HG3 GLN A 25 16.792 -16.711 -5.178 1.00 0.00 H new ATOM 0 HE21 GLN A 25 19.694 -18.024 -3.558 1.00 0.00 H new ATOM 0 HE22 GLN A 25 20.854 -16.874 -4.232 1.00 0.00 H new ATOM 311 N VAL A 26 15.272 -17.758 -0.657 1.00 0.00 N ATOM 312 CA VAL A 26 15.103 -17.970 0.771 1.00 0.00 C ATOM 313 C VAL A 26 14.038 -19.044 1.000 1.00 0.00 C ATOM 314 O VAL A 26 14.202 -19.914 1.854 1.00 0.00 O ATOM 315 CB VAL A 26 14.773 -16.645 1.461 1.00 0.00 C ATOM 316 CG1 VAL A 26 15.453 -15.472 0.750 1.00 0.00 C ATOM 317 CG2 VAL A 26 13.261 -16.432 1.546 1.00 0.00 C ATOM 0 H VAL A 26 14.853 -16.899 -1.013 1.00 0.00 H new ATOM 0 HA VAL A 26 16.030 -18.331 1.216 1.00 0.00 H new ATOM 0 HB VAL A 26 15.162 -16.692 2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 26 15.202 -14.542 1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 26 16.534 -15.614 0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 26 15.108 -15.423 -0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.055 -15.483 2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 26 12.839 -16.417 0.541 1.00 0.00 H new ATOM 0 HG23 VAL A 26 12.811 -17.244 2.117 1.00 0.00 H new ATOM 327 N GLU A 27 12.970 -18.949 0.222 1.00 0.00 N ATOM 328 CA GLU A 27 11.878 -19.901 0.329 1.00 0.00 C ATOM 329 C GLU A 27 12.424 -21.309 0.576 1.00 0.00 C ATOM 330 O GLU A 27 13.349 -21.748 -0.105 1.00 0.00 O ATOM 331 CB GLU A 27 10.996 -19.868 -0.921 1.00 0.00 C ATOM 332 CG GLU A 27 9.887 -20.919 -0.838 1.00 0.00 C ATOM 333 CD GLU A 27 9.734 -21.660 -2.167 1.00 0.00 C ATOM 334 OE1 GLU A 27 10.253 -22.777 -2.317 1.00 0.00 O ATOM 335 OE2 GLU A 27 9.047 -21.037 -3.064 1.00 0.00 O ATOM 0 H GLU A 27 12.838 -18.227 -0.486 1.00 0.00 H new ATOM 0 HA GLU A 27 11.258 -19.617 1.179 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.555 -18.877 -1.033 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.606 -20.048 -1.806 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.114 -21.631 -0.045 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.945 -20.439 -0.575 1.00 0.00 H new ATOM 343 N ALA A 28 11.829 -21.977 1.553 1.00 0.00 N ATOM 344 CA ALA A 28 12.244 -23.326 1.899 1.00 0.00 C ATOM 345 C ALA A 28 11.252 -24.328 1.306 1.00 0.00 C ATOM 346 O ALA A 28 10.068 -24.026 1.165 1.00 0.00 O ATOM 347 CB ALA A 28 12.361 -23.451 3.419 1.00 0.00 C ATOM 0 H ALA A 28 11.062 -21.609 2.116 1.00 0.00 H new ATOM 0 HA ALA A 28 13.225 -23.545 1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.672 -24.463 3.678 1.00 0.00 H new ATOM 0 HB2 ALA A 28 13.100 -22.739 3.787 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.395 -23.240 3.877 1.00 0.00 H new ATOM 353 N GLY A 29 11.771 -25.501 0.975 1.00 0.00 N ATOM 354 CA GLY A 29 10.946 -26.550 0.400 1.00 0.00 C ATOM 355 C GLY A 29 10.355 -26.110 -0.941 1.00 0.00 C ATOM 356 O GLY A 29 10.616 -25.001 -1.404 1.00 0.00 O ATOM 0 H GLY A 29 12.753 -25.748 1.094 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.543 -27.451 0.260 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.142 -26.804 1.090 1.00 0.00 H new ATOM 360 N ASN A 30 9.569 -27.002 -1.526 1.00 0.00 N ATOM 361 CA ASN A 30 8.939 -26.720 -2.804 1.00 0.00 C ATOM 362 C ASN A 30 7.436 -26.524 -2.595 1.00 0.00 C ATOM 363 O ASN A 30 6.626 -27.031 -3.370 1.00 0.00 O ATOM 364 CB ASN A 30 9.133 -27.880 -3.782 1.00 0.00 C ATOM 365 CG ASN A 30 10.457 -27.746 -4.536 1.00 0.00 C ATOM 366 OD1 ASN A 30 11.535 -27.820 -3.969 1.00 0.00 O ATOM 367 ND2 ASN A 30 10.317 -27.545 -5.844 1.00 0.00 N ATOM 0 H ASN A 30 9.354 -27.921 -1.138 1.00 0.00 H new ATOM 0 HA ASN A 30 9.399 -25.821 -3.215 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.114 -28.825 -3.239 1.00 0.00 H new ATOM 0 HB3 ASN A 30 8.307 -27.903 -4.492 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.142 -27.443 -6.435 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.385 -27.493 -6.255 1.00 0.00 H new ATOM 374 N THR A 31 7.108 -25.787 -1.543 1.00 0.00 N ATOM 375 CA THR A 31 5.717 -25.519 -1.222 1.00 0.00 C ATOM 376 C THR A 31 5.273 -24.192 -1.842 1.00 0.00 C ATOM 377 O THR A 31 4.111 -24.034 -2.213 1.00 0.00 O ATOM 378 CB THR A 31 5.566 -25.559 0.300 1.00 0.00 C ATOM 379 OG1 THR A 31 6.690 -24.827 0.779 1.00 0.00 O ATOM 380 CG2 THR A 31 5.766 -26.965 0.871 1.00 0.00 C ATOM 0 H THR A 31 7.782 -25.368 -0.903 1.00 0.00 H new ATOM 0 HA THR A 31 5.060 -26.277 -1.648 1.00 0.00 H new ATOM 0 HB THR A 31 4.578 -25.192 0.577 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.761 -24.935 1.751 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.648 -26.938 1.954 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.026 -27.640 0.442 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.767 -27.319 0.624 1.00 0.00 H new ATOM 388 N GLY A 32 6.222 -23.272 -1.933 1.00 0.00 N ATOM 389 CA GLY A 32 5.944 -21.964 -2.501 1.00 0.00 C ATOM 390 C GLY A 32 5.727 -20.923 -1.400 1.00 0.00 C ATOM 391 O GLY A 32 5.071 -19.906 -1.623 1.00 0.00 O ATOM 0 H GLY A 32 7.184 -23.407 -1.623 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.773 -21.657 -3.139 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.058 -22.019 -3.134 1.00 0.00 H new ATOM 395 N ARG A 33 6.291 -21.213 -0.237 1.00 0.00 N ATOM 396 CA ARG A 33 6.168 -20.315 0.899 1.00 0.00 C ATOM 397 C ARG A 33 7.522 -20.144 1.590 1.00 0.00 C ATOM 398 O ARG A 33 8.301 -21.093 1.681 1.00 0.00 O ATOM 399 CB ARG A 33 5.150 -20.843 1.911 1.00 0.00 C ATOM 400 CG ARG A 33 5.718 -22.030 2.691 1.00 0.00 C ATOM 401 CD ARG A 33 4.681 -22.593 3.665 1.00 0.00 C ATOM 402 NE ARG A 33 3.904 -23.670 3.011 1.00 0.00 N ATOM 403 CZ ARG A 33 2.973 -24.419 3.639 1.00 0.00 C ATOM 404 NH1 ARG A 33 2.695 -24.216 4.944 1.00 0.00 N ATOM 405 NH2 ARG A 33 2.339 -25.355 2.957 1.00 0.00 N ATOM 0 H ARG A 33 6.834 -22.057 -0.057 1.00 0.00 H new ATOM 0 HA ARG A 33 5.824 -19.351 0.524 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.873 -20.047 2.603 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.240 -21.146 1.393 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.031 -22.810 1.997 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.606 -21.717 3.240 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.178 -22.981 4.554 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.011 -21.799 3.995 1.00 0.00 H new ATOM 0 HE ARG A 33 4.083 -23.858 2.025 1.00 0.00 H new ATOM 0 HH11 ARG A 33 3.190 -23.492 5.464 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.990 -24.787 5.410 1.00 0.00 H new ATOM 0 HH21 ARG A 33 2.556 -25.503 1.971 1.00 0.00 H new ATOM 0 HH22 ARG A 33 1.633 -25.930 3.416 1.00 0.00 H new ATOM 418 N VAL A 34 7.763 -18.929 2.059 1.00 0.00 N ATOM 419 CA VAL A 34 9.009 -18.622 2.739 1.00 0.00 C ATOM 420 C VAL A 34 8.806 -18.751 4.250 1.00 0.00 C ATOM 421 O VAL A 34 8.035 -17.998 4.842 1.00 0.00 O ATOM 422 CB VAL A 34 9.508 -17.238 2.319 1.00 0.00 C ATOM 423 CG1 VAL A 34 8.361 -16.225 2.298 1.00 0.00 C ATOM 424 CG2 VAL A 34 10.642 -16.763 3.229 1.00 0.00 C ATOM 0 H VAL A 34 7.116 -18.145 1.981 1.00 0.00 H new ATOM 0 HA VAL A 34 9.785 -19.333 2.453 1.00 0.00 H new ATOM 0 HB VAL A 34 9.903 -17.318 1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.743 -15.250 1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.600 -16.552 1.590 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.923 -16.151 3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.978 -15.777 2.908 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.284 -16.708 4.257 1.00 0.00 H new ATOM 0 HG23 VAL A 34 11.473 -17.466 3.171 1.00 0.00 H new ATOM 434 N LEU A 35 9.512 -19.710 4.830 1.00 0.00 N ATOM 435 CA LEU A 35 9.419 -19.947 6.260 1.00 0.00 C ATOM 436 C LEU A 35 9.847 -18.685 7.011 1.00 0.00 C ATOM 437 O LEU A 35 9.627 -18.570 8.216 1.00 0.00 O ATOM 438 CB LEU A 35 10.216 -21.194 6.650 1.00 0.00 C ATOM 439 CG LEU A 35 9.392 -22.410 7.078 1.00 0.00 C ATOM 440 CD1 LEU A 35 10.196 -23.702 6.917 1.00 0.00 C ATOM 441 CD2 LEU A 35 8.861 -22.239 8.502 1.00 0.00 C ATOM 0 H LEU A 35 10.151 -20.332 4.335 1.00 0.00 H new ATOM 0 HA LEU A 35 8.387 -20.154 6.545 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.839 -21.482 5.803 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.889 -20.930 7.466 1.00 0.00 H new ATOM 0 HG LEU A 35 8.527 -22.485 6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 35 9.587 -24.551 7.228 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.482 -23.825 5.872 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.092 -23.652 7.536 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.279 -23.117 8.781 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.698 -22.124 9.191 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.227 -21.353 8.550 1.00 0.00 H new ATOM 453 N ALA A 36 10.451 -17.769 6.268 1.00 0.00 N ATOM 454 CA ALA A 36 10.912 -16.519 6.848 1.00 0.00 C ATOM 455 C ALA A 36 12.343 -16.695 7.358 1.00 0.00 C ATOM 456 O ALA A 36 13.243 -15.958 6.959 1.00 0.00 O ATOM 457 CB ALA A 36 9.949 -16.084 7.955 1.00 0.00 C ATOM 0 H ALA A 36 10.632 -17.868 5.269 1.00 0.00 H new ATOM 0 HA ALA A 36 10.924 -15.729 6.097 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.295 -15.146 8.390 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.952 -15.944 7.536 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.913 -16.851 8.728 1.00 0.00 H new ATOM 463 N LEU A 37 12.510 -17.677 8.232 1.00 0.00 N ATOM 464 CA LEU A 37 13.817 -17.960 8.800 1.00 0.00 C ATOM 465 C LEU A 37 14.882 -17.829 7.709 1.00 0.00 C ATOM 466 O LEU A 37 15.981 -17.339 7.965 1.00 0.00 O ATOM 467 CB LEU A 37 13.815 -19.322 9.497 1.00 0.00 C ATOM 468 CG LEU A 37 13.502 -19.309 10.994 1.00 0.00 C ATOM 469 CD1 LEU A 37 14.747 -18.963 11.812 1.00 0.00 C ATOM 470 CD2 LEU A 37 12.335 -18.369 11.302 1.00 0.00 C ATOM 0 H LEU A 37 11.761 -18.287 8.561 1.00 0.00 H new ATOM 0 HA LEU A 37 14.062 -17.232 9.574 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.086 -19.962 8.999 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.793 -19.782 9.354 1.00 0.00 H new ATOM 0 HG LEU A 37 13.193 -20.313 11.287 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.496 -18.961 12.873 1.00 0.00 H new ATOM 0 HD12 LEU A 37 15.523 -19.705 11.624 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.110 -17.977 11.523 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.133 -18.378 12.373 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.591 -17.357 10.990 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.448 -18.701 10.763 1.00 0.00 H new ATOM 482 N ASP A 38 14.518 -18.275 6.515 1.00 0.00 N ATOM 483 CA ASP A 38 15.429 -18.214 5.384 1.00 0.00 C ATOM 484 C ASP A 38 15.548 -16.764 4.909 1.00 0.00 C ATOM 485 O ASP A 38 16.652 -16.263 4.706 1.00 0.00 O ATOM 486 CB ASP A 38 14.912 -19.054 4.215 1.00 0.00 C ATOM 487 CG ASP A 38 15.519 -20.454 4.107 1.00 0.00 C ATOM 488 OD1 ASP A 38 16.484 -20.676 3.360 1.00 0.00 O ATOM 489 OD2 ASP A 38 14.953 -21.352 4.839 1.00 0.00 O ATOM 0 H ASP A 38 13.605 -18.680 6.306 1.00 0.00 H new ATOM 0 HA ASP A 38 16.395 -18.602 5.707 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.830 -19.149 4.306 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.107 -18.517 3.287 1.00 0.00 H new ATOM 495 N ALA A 39 14.395 -16.132 4.745 1.00 0.00 N ATOM 496 CA ALA A 39 14.356 -14.751 4.298 1.00 0.00 C ATOM 497 C ALA A 39 15.330 -13.920 5.135 1.00 0.00 C ATOM 498 O ALA A 39 16.042 -13.070 4.603 1.00 0.00 O ATOM 499 CB ALA A 39 12.921 -14.227 4.383 1.00 0.00 C ATOM 0 H ALA A 39 13.481 -16.552 4.914 1.00 0.00 H new ATOM 0 HA ALA A 39 14.670 -14.676 3.257 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.892 -13.190 4.047 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.274 -14.832 3.748 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.573 -14.284 5.414 1.00 0.00 H new ATOM 505 N ALA A 40 15.331 -14.196 6.431 1.00 0.00 N ATOM 506 CA ALA A 40 16.207 -13.485 7.347 1.00 0.00 C ATOM 507 C ALA A 40 17.661 -13.847 7.040 1.00 0.00 C ATOM 508 O ALA A 40 18.563 -13.035 7.241 1.00 0.00 O ATOM 509 CB ALA A 40 15.815 -13.815 8.788 1.00 0.00 C ATOM 0 H ALA A 40 14.739 -14.902 6.868 1.00 0.00 H new ATOM 0 HA ALA A 40 16.102 -12.408 7.220 1.00 0.00 H new ATOM 0 HB1 ALA A 40 16.472 -13.282 9.475 1.00 0.00 H new ATOM 0 HB2 ALA A 40 14.783 -13.511 8.963 1.00 0.00 H new ATOM 0 HB3 ALA A 40 15.910 -14.888 8.954 1.00 0.00 H new ATOM 515 N ALA A 41 17.844 -15.068 6.559 1.00 0.00 N ATOM 516 CA ALA A 41 19.174 -15.548 6.222 1.00 0.00 C ATOM 517 C ALA A 41 19.719 -14.742 5.042 1.00 0.00 C ATOM 518 O ALA A 41 20.790 -14.145 5.135 1.00 0.00 O ATOM 519 CB ALA A 41 19.115 -17.048 5.927 1.00 0.00 C ATOM 0 H ALA A 41 17.094 -15.739 6.395 1.00 0.00 H new ATOM 0 HA ALA A 41 19.857 -15.407 7.060 1.00 0.00 H new ATOM 0 HB1 ALA A 41 20.112 -17.409 5.674 1.00 0.00 H new ATOM 0 HB2 ALA A 41 18.750 -17.578 6.807 1.00 0.00 H new ATOM 0 HB3 ALA A 41 18.441 -17.228 5.089 1.00 0.00 H new ATOM 525 N PHE A 42 18.956 -14.751 3.958 1.00 0.00 N ATOM 526 CA PHE A 42 19.350 -14.029 2.760 1.00 0.00 C ATOM 527 C PHE A 42 19.574 -12.546 3.063 1.00 0.00 C ATOM 528 O PHE A 42 20.436 -11.908 2.461 1.00 0.00 O ATOM 529 CB PHE A 42 18.201 -14.164 1.759 1.00 0.00 C ATOM 530 CG PHE A 42 18.395 -13.353 0.476 1.00 0.00 C ATOM 531 CD1 PHE A 42 19.305 -13.754 -0.452 1.00 0.00 C ATOM 532 CD2 PHE A 42 17.657 -12.230 0.264 1.00 0.00 C ATOM 533 CE1 PHE A 42 19.485 -13.000 -1.642 1.00 0.00 C ATOM 534 CE2 PHE A 42 17.837 -11.477 -0.926 1.00 0.00 C ATOM 535 CZ PHE A 42 18.747 -11.878 -1.854 1.00 0.00 C ATOM 0 H PHE A 42 18.068 -15.247 3.885 1.00 0.00 H new ATOM 0 HA PHE A 42 20.282 -14.438 2.368 1.00 0.00 H new ATOM 0 HB2 PHE A 42 18.082 -15.215 1.498 1.00 0.00 H new ATOM 0 HB3 PHE A 42 17.275 -13.848 2.240 1.00 0.00 H new ATOM 0 HD1 PHE A 42 19.891 -14.646 -0.284 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.934 -11.911 1.001 1.00 0.00 H new ATOM 0 HE1 PHE A 42 20.208 -13.318 -2.379 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.251 -10.585 -1.094 1.00 0.00 H new ATOM 0 HZ PHE A 42 18.883 -11.305 -2.759 1.00 0.00 H new ATOM 545 N LEU A 43 18.782 -12.039 3.997 1.00 0.00 N ATOM 546 CA LEU A 43 18.883 -10.643 4.388 1.00 0.00 C ATOM 547 C LEU A 43 20.253 -10.393 5.021 1.00 0.00 C ATOM 548 O LEU A 43 20.935 -9.430 4.673 1.00 0.00 O ATOM 549 CB LEU A 43 17.709 -10.253 5.288 1.00 0.00 C ATOM 550 CG LEU A 43 16.347 -10.137 4.602 1.00 0.00 C ATOM 551 CD1 LEU A 43 15.210 -10.207 5.624 1.00 0.00 C ATOM 552 CD2 LEU A 43 16.270 -8.872 3.745 1.00 0.00 C ATOM 0 H LEU A 43 18.067 -12.570 4.494 1.00 0.00 H new ATOM 0 HA LEU A 43 18.813 -9.996 3.514 1.00 0.00 H new ATOM 0 HB2 LEU A 43 17.629 -10.990 6.087 1.00 0.00 H new ATOM 0 HB3 LEU A 43 17.939 -9.297 5.758 1.00 0.00 H new ATOM 0 HG LEU A 43 16.230 -10.988 3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 43 14.253 -10.122 5.110 1.00 0.00 H new ATOM 0 HD12 LEU A 43 15.254 -11.159 6.153 1.00 0.00 H new ATOM 0 HD13 LEU A 43 15.312 -9.390 6.338 1.00 0.00 H new ATOM 0 HD21 LEU A 43 15.291 -8.814 3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 43 16.419 -7.996 4.376 1.00 0.00 H new ATOM 0 HD23 LEU A 43 17.045 -8.904 2.979 1.00 0.00 H new ATOM 564 N LYS A 44 20.616 -11.277 5.938 1.00 0.00 N ATOM 565 CA LYS A 44 21.893 -11.164 6.623 1.00 0.00 C ATOM 566 C LYS A 44 23.017 -11.085 5.587 1.00 0.00 C ATOM 567 O LYS A 44 24.115 -10.622 5.892 1.00 0.00 O ATOM 568 CB LYS A 44 22.064 -12.304 7.629 1.00 0.00 C ATOM 569 CG LYS A 44 21.319 -12.001 8.931 1.00 0.00 C ATOM 570 CD LYS A 44 22.128 -12.463 10.145 1.00 0.00 C ATOM 571 CE LYS A 44 22.113 -13.988 10.267 1.00 0.00 C ATOM 572 NZ LYS A 44 23.475 -14.536 10.085 1.00 0.00 N ATOM 0 H LYS A 44 20.048 -12.075 6.223 1.00 0.00 H new ATOM 0 HA LYS A 44 21.932 -10.245 7.208 1.00 0.00 H new ATOM 0 HB2 LYS A 44 21.689 -13.233 7.199 1.00 0.00 H new ATOM 0 HB3 LYS A 44 23.123 -12.454 7.838 1.00 0.00 H new ATOM 0 HG2 LYS A 44 21.127 -10.931 9.004 1.00 0.00 H new ATOM 0 HG3 LYS A 44 20.350 -12.499 8.924 1.00 0.00 H new ATOM 0 HD2 LYS A 44 23.156 -12.112 10.056 1.00 0.00 H new ATOM 0 HD3 LYS A 44 21.717 -12.018 11.051 1.00 0.00 H new ATOM 0 HE2 LYS A 44 21.726 -14.277 11.244 1.00 0.00 H new ATOM 0 HE3 LYS A 44 21.441 -14.412 9.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 23.447 -15.572 10.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 23.831 -14.276 9.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 24.107 -14.145 10.813 1.00 0.00 H new ATOM 583 N LYS A 45 22.703 -11.544 4.384 1.00 0.00 N ATOM 584 CA LYS A 45 23.673 -11.531 3.302 1.00 0.00 C ATOM 585 C LYS A 45 23.808 -10.106 2.762 1.00 0.00 C ATOM 586 O LYS A 45 24.605 -9.853 1.860 1.00 0.00 O ATOM 587 CB LYS A 45 23.298 -12.560 2.234 1.00 0.00 C ATOM 588 CG LYS A 45 22.960 -13.911 2.869 1.00 0.00 C ATOM 589 CD LYS A 45 23.041 -15.038 1.837 1.00 0.00 C ATOM 590 CE LYS A 45 22.834 -16.402 2.498 1.00 0.00 C ATOM 591 NZ LYS A 45 24.137 -17.024 2.824 1.00 0.00 N ATOM 0 H LYS A 45 21.791 -11.927 4.135 1.00 0.00 H new ATOM 0 HA LYS A 45 24.656 -11.829 3.667 1.00 0.00 H new ATOM 0 HB2 LYS A 45 22.444 -12.200 1.661 1.00 0.00 H new ATOM 0 HB3 LYS A 45 24.124 -12.680 1.533 1.00 0.00 H new ATOM 0 HG2 LYS A 45 23.649 -14.114 3.689 1.00 0.00 H new ATOM 0 HG3 LYS A 45 21.958 -13.876 3.296 1.00 0.00 H new ATOM 0 HD2 LYS A 45 22.286 -14.885 1.066 1.00 0.00 H new ATOM 0 HD3 LYS A 45 24.012 -15.013 1.342 1.00 0.00 H new ATOM 0 HE2 LYS A 45 22.242 -16.286 3.406 1.00 0.00 H new ATOM 0 HE3 LYS A 45 22.270 -17.054 1.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 23.978 -17.949 3.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 24.688 -17.152 1.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 24.662 -16.408 3.478 1.00 0.00 H new ATOM 602 N SER A 46 23.017 -9.212 3.336 1.00 0.00 N ATOM 603 CA SER A 46 23.038 -7.819 2.924 1.00 0.00 C ATOM 604 C SER A 46 24.353 -7.165 3.355 1.00 0.00 C ATOM 605 O SER A 46 25.198 -6.851 2.518 1.00 0.00 O ATOM 606 CB SER A 46 21.849 -7.053 3.507 1.00 0.00 C ATOM 607 OG SER A 46 21.992 -6.829 4.906 1.00 0.00 O ATOM 0 H SER A 46 22.357 -9.425 4.084 1.00 0.00 H new ATOM 0 HA SER A 46 22.961 -7.784 1.837 1.00 0.00 H new ATOM 0 HB2 SER A 46 21.748 -6.096 2.995 1.00 0.00 H new ATOM 0 HB3 SER A 46 20.932 -7.612 3.321 1.00 0.00 H new ATOM 0 HG SER A 46 21.689 -7.621 5.397 1.00 0.00 H new ATOM 613 N GLY A 47 24.484 -6.980 4.660 1.00 0.00 N ATOM 614 CA GLY A 47 25.681 -6.370 5.213 1.00 0.00 C ATOM 615 C GLY A 47 25.397 -5.744 6.580 1.00 0.00 C ATOM 616 O GLY A 47 26.300 -5.608 7.404 1.00 0.00 O ATOM 0 H GLY A 47 23.781 -7.242 5.351 1.00 0.00 H new ATOM 0 HA2 GLY A 47 26.465 -7.121 5.309 1.00 0.00 H new ATOM 0 HA3 GLY A 47 26.053 -5.607 4.530 1.00 0.00 H new ATOM 620 N LEU A 48 24.139 -5.380 6.778 1.00 0.00 N ATOM 621 CA LEU A 48 23.724 -4.772 8.031 1.00 0.00 C ATOM 622 C LEU A 48 23.837 -5.803 9.155 1.00 0.00 C ATOM 623 O LEU A 48 23.918 -7.003 8.897 1.00 0.00 O ATOM 624 CB LEU A 48 22.327 -4.162 7.894 1.00 0.00 C ATOM 625 CG LEU A 48 22.268 -2.745 7.321 1.00 0.00 C ATOM 626 CD1 LEU A 48 20.904 -2.468 6.685 1.00 0.00 C ATOM 627 CD2 LEU A 48 22.625 -1.707 8.387 1.00 0.00 C ATOM 0 H LEU A 48 23.393 -5.494 6.092 1.00 0.00 H new ATOM 0 HA LEU A 48 24.384 -3.944 8.290 1.00 0.00 H new ATOM 0 HB2 LEU A 48 21.728 -4.815 7.259 1.00 0.00 H new ATOM 0 HB3 LEU A 48 21.857 -4.155 8.877 1.00 0.00 H new ATOM 0 HG LEU A 48 23.014 -2.664 6.531 1.00 0.00 H new ATOM 0 HD11 LEU A 48 20.888 -1.454 6.285 1.00 0.00 H new ATOM 0 HD12 LEU A 48 20.728 -3.179 5.878 1.00 0.00 H new ATOM 0 HD13 LEU A 48 20.123 -2.573 7.438 1.00 0.00 H new ATOM 0 HD21 LEU A 48 22.575 -0.708 7.953 1.00 0.00 H new ATOM 0 HD22 LEU A 48 21.920 -1.778 9.215 1.00 0.00 H new ATOM 0 HD23 LEU A 48 23.635 -1.894 8.753 1.00 0.00 H new ATOM 639 N PRO A 49 23.840 -5.284 10.413 1.00 0.00 N ATOM 640 CA PRO A 49 23.942 -6.147 11.578 1.00 0.00 C ATOM 641 C PRO A 49 22.620 -6.871 11.841 1.00 0.00 C ATOM 642 O PRO A 49 21.716 -6.843 11.008 1.00 0.00 O ATOM 643 CB PRO A 49 24.351 -5.225 12.715 1.00 0.00 C ATOM 644 CG PRO A 49 24.012 -3.817 12.252 1.00 0.00 C ATOM 645 CD PRO A 49 23.745 -3.869 10.757 1.00 0.00 C ATOM 0 HA PRO A 49 24.672 -6.946 11.448 1.00 0.00 H new ATOM 0 HB2 PRO A 49 23.816 -5.474 13.632 1.00 0.00 H new ATOM 0 HB3 PRO A 49 25.415 -5.320 12.931 1.00 0.00 H new ATOM 0 HG2 PRO A 49 23.138 -3.441 12.783 1.00 0.00 H new ATOM 0 HG3 PRO A 49 24.834 -3.135 12.469 1.00 0.00 H new ATOM 0 HD2 PRO A 49 22.760 -3.468 10.516 1.00 0.00 H new ATOM 0 HD3 PRO A 49 24.474 -3.277 10.204 1.00 0.00 H new ATOM 653 N ASP A 50 22.549 -7.501 13.005 1.00 0.00 N ATOM 654 CA ASP A 50 21.353 -8.231 13.389 1.00 0.00 C ATOM 655 C ASP A 50 20.458 -7.325 14.236 1.00 0.00 C ATOM 656 O ASP A 50 19.234 -7.442 14.195 1.00 0.00 O ATOM 657 CB ASP A 50 21.705 -9.464 14.224 1.00 0.00 C ATOM 658 CG ASP A 50 22.468 -9.172 15.518 1.00 0.00 C ATOM 659 OD1 ASP A 50 23.676 -8.890 15.497 1.00 0.00 O ATOM 660 OD2 ASP A 50 21.763 -9.243 16.595 1.00 0.00 O ATOM 0 H ASP A 50 23.301 -7.521 13.694 1.00 0.00 H new ATOM 0 HA ASP A 50 20.843 -8.546 12.479 1.00 0.00 H new ATOM 0 HB2 ASP A 50 20.784 -9.990 14.474 1.00 0.00 H new ATOM 0 HB3 ASP A 50 22.302 -10.140 13.612 1.00 0.00 H new ATOM 666 N LEU A 51 21.103 -6.442 14.984 1.00 0.00 N ATOM 667 CA LEU A 51 20.380 -5.517 15.840 1.00 0.00 C ATOM 668 C LEU A 51 19.459 -4.648 14.981 1.00 0.00 C ATOM 669 O LEU A 51 18.242 -4.661 15.162 1.00 0.00 O ATOM 670 CB LEU A 51 21.355 -4.712 16.703 1.00 0.00 C ATOM 671 CG LEU A 51 21.229 -3.190 16.616 1.00 0.00 C ATOM 672 CD1 LEU A 51 21.120 -2.568 18.009 1.00 0.00 C ATOM 673 CD2 LEU A 51 22.382 -2.590 15.809 1.00 0.00 C ATOM 0 H LEU A 51 22.118 -6.348 15.015 1.00 0.00 H new ATOM 0 HA LEU A 51 19.745 -6.062 16.539 1.00 0.00 H new ATOM 0 HB2 LEU A 51 21.219 -5.009 17.743 1.00 0.00 H new ATOM 0 HB3 LEU A 51 22.371 -4.989 16.423 1.00 0.00 H new ATOM 0 HG LEU A 51 20.307 -2.954 16.085 1.00 0.00 H new ATOM 0 HD11 LEU A 51 21.032 -1.485 17.918 1.00 0.00 H new ATOM 0 HD12 LEU A 51 20.239 -2.963 18.516 1.00 0.00 H new ATOM 0 HD13 LEU A 51 22.011 -2.812 18.587 1.00 0.00 H new ATOM 0 HD21 LEU A 51 22.269 -1.507 15.762 1.00 0.00 H new ATOM 0 HD22 LEU A 51 23.329 -2.835 16.290 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.371 -3.000 14.799 1.00 0.00 H new ATOM 685 N ILE A 52 20.074 -3.914 14.066 1.00 0.00 N ATOM 686 CA ILE A 52 19.324 -3.042 13.179 1.00 0.00 C ATOM 687 C ILE A 52 18.305 -3.872 12.394 1.00 0.00 C ATOM 688 O ILE A 52 17.203 -3.405 12.112 1.00 0.00 O ATOM 689 CB ILE A 52 20.274 -2.235 12.291 1.00 0.00 C ATOM 690 CG1 ILE A 52 21.041 -1.196 13.111 1.00 0.00 C ATOM 691 CG2 ILE A 52 19.522 -1.600 11.119 1.00 0.00 C ATOM 692 CD1 ILE A 52 21.348 0.046 12.273 1.00 0.00 C ATOM 0 H ILE A 52 21.083 -3.905 13.920 1.00 0.00 H new ATOM 0 HA ILE A 52 18.761 -2.307 13.755 1.00 0.00 H new ATOM 0 HB ILE A 52 21.010 -2.918 11.868 1.00 0.00 H new ATOM 0 HG12 ILE A 52 20.455 -0.913 13.986 1.00 0.00 H new ATOM 0 HG13 ILE A 52 21.971 -1.631 13.477 1.00 0.00 H new ATOM 0 HG21 ILE A 52 20.220 -1.032 10.504 1.00 0.00 H new ATOM 0 HG22 ILE A 52 19.060 -2.382 10.516 1.00 0.00 H new ATOM 0 HG23 ILE A 52 18.749 -0.933 11.501 1.00 0.00 H new ATOM 0 HD11 ILE A 52 21.894 0.769 12.880 1.00 0.00 H new ATOM 0 HD12 ILE A 52 21.954 -0.237 11.412 1.00 0.00 H new ATOM 0 HD13 ILE A 52 20.415 0.492 11.929 1.00 0.00 H new ATOM 704 N LEU A 53 18.711 -5.090 12.065 1.00 0.00 N ATOM 705 CA LEU A 53 17.848 -5.989 11.319 1.00 0.00 C ATOM 706 C LEU A 53 16.603 -6.303 12.151 1.00 0.00 C ATOM 707 O LEU A 53 15.479 -6.168 11.670 1.00 0.00 O ATOM 708 CB LEU A 53 18.622 -7.233 10.879 1.00 0.00 C ATOM 709 CG LEU A 53 19.235 -7.182 9.478 1.00 0.00 C ATOM 710 CD1 LEU A 53 19.904 -8.511 9.122 1.00 0.00 C ATOM 711 CD2 LEU A 53 18.191 -6.770 8.438 1.00 0.00 C ATOM 0 H LEU A 53 19.626 -5.475 12.301 1.00 0.00 H new ATOM 0 HA LEU A 53 17.506 -5.512 10.400 1.00 0.00 H new ATOM 0 HB2 LEU A 53 19.422 -7.412 11.598 1.00 0.00 H new ATOM 0 HB3 LEU A 53 17.951 -8.091 10.929 1.00 0.00 H new ATOM 0 HG LEU A 53 20.013 -6.419 9.474 1.00 0.00 H new ATOM 0 HD11 LEU A 53 20.331 -8.447 8.121 1.00 0.00 H new ATOM 0 HD12 LEU A 53 20.695 -8.724 9.841 1.00 0.00 H new ATOM 0 HD13 LEU A 53 19.163 -9.310 9.150 1.00 0.00 H new ATOM 0 HD21 LEU A 53 18.652 -6.741 7.451 1.00 0.00 H new ATOM 0 HD22 LEU A 53 17.375 -7.492 8.436 1.00 0.00 H new ATOM 0 HD23 LEU A 53 17.801 -5.782 8.685 1.00 0.00 H new ATOM 723 N GLY A 54 16.845 -6.715 13.387 1.00 0.00 N ATOM 724 CA GLY A 54 15.758 -7.048 14.292 1.00 0.00 C ATOM 725 C GLY A 54 14.608 -6.048 14.158 1.00 0.00 C ATOM 726 O GLY A 54 13.446 -6.441 14.070 1.00 0.00 O ATOM 0 H GLY A 54 17.778 -6.826 13.783 1.00 0.00 H new ATOM 0 HA2 GLY A 54 15.397 -8.054 14.078 1.00 0.00 H new ATOM 0 HA3 GLY A 54 16.123 -7.052 15.319 1.00 0.00 H new ATOM 730 N LYS A 55 14.972 -4.774 14.149 1.00 0.00 N ATOM 731 CA LYS A 55 13.985 -3.715 14.028 1.00 0.00 C ATOM 732 C LYS A 55 13.233 -3.873 12.705 1.00 0.00 C ATOM 733 O LYS A 55 12.011 -3.741 12.662 1.00 0.00 O ATOM 734 CB LYS A 55 14.645 -2.345 14.200 1.00 0.00 C ATOM 735 CG LYS A 55 15.007 -2.091 15.665 1.00 0.00 C ATOM 736 CD LYS A 55 15.139 -0.593 15.945 1.00 0.00 C ATOM 737 CE LYS A 55 14.537 -0.234 17.305 1.00 0.00 C ATOM 738 NZ LYS A 55 15.607 0.070 18.282 1.00 0.00 N ATOM 0 H LYS A 55 15.937 -4.451 14.224 1.00 0.00 H new ATOM 0 HA LYS A 55 13.246 -3.790 14.826 1.00 0.00 H new ATOM 0 HB2 LYS A 55 15.543 -2.290 13.585 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.970 -1.565 13.848 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.242 -2.520 16.312 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.944 -2.593 15.904 1.00 0.00 H new ATOM 0 HD2 LYS A 55 16.190 -0.306 15.922 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.637 -0.027 15.160 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.876 0.627 17.201 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.928 -1.061 17.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.181 0.312 19.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 16.221 -0.762 18.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.171 0.874 17.940 1.00 0.00 H new ATOM 749 N ILE A 56 13.995 -4.152 11.657 1.00 0.00 N ATOM 750 CA ILE A 56 13.416 -4.329 10.337 1.00 0.00 C ATOM 751 C ILE A 56 12.366 -5.441 10.390 1.00 0.00 C ATOM 752 O ILE A 56 11.221 -5.239 9.988 1.00 0.00 O ATOM 753 CB ILE A 56 14.513 -4.569 9.298 1.00 0.00 C ATOM 754 CG1 ILE A 56 15.432 -3.351 9.180 1.00 0.00 C ATOM 755 CG2 ILE A 56 13.913 -4.967 7.948 1.00 0.00 C ATOM 756 CD1 ILE A 56 16.350 -3.472 7.962 1.00 0.00 C ATOM 0 H ILE A 56 15.009 -4.260 11.696 1.00 0.00 H new ATOM 0 HA ILE A 56 12.903 -3.420 10.021 1.00 0.00 H new ATOM 0 HB ILE A 56 15.126 -5.404 9.636 1.00 0.00 H new ATOM 0 HG12 ILE A 56 14.832 -2.445 9.099 1.00 0.00 H new ATOM 0 HG13 ILE A 56 16.033 -3.255 10.084 1.00 0.00 H new ATOM 0 HG21 ILE A 56 14.715 -5.132 7.228 1.00 0.00 H new ATOM 0 HG22 ILE A 56 13.335 -5.884 8.063 1.00 0.00 H new ATOM 0 HG23 ILE A 56 13.262 -4.170 7.590 1.00 0.00 H new ATOM 0 HD11 ILE A 56 16.992 -2.593 7.902 1.00 0.00 H new ATOM 0 HD12 ILE A 56 16.966 -4.366 8.058 1.00 0.00 H new ATOM 0 HD13 ILE A 56 15.746 -3.543 7.057 1.00 0.00 H new ATOM 768 N TRP A 57 12.794 -6.591 10.889 1.00 0.00 N ATOM 769 CA TRP A 57 11.905 -7.735 11.000 1.00 0.00 C ATOM 770 C TRP A 57 10.676 -7.304 11.803 1.00 0.00 C ATOM 771 O TRP A 57 9.547 -7.428 11.331 1.00 0.00 O ATOM 772 CB TRP A 57 12.629 -8.935 11.614 1.00 0.00 C ATOM 773 CG TRP A 57 11.907 -10.268 11.413 1.00 0.00 C ATOM 774 CD1 TRP A 57 10.946 -10.809 12.174 1.00 0.00 C ATOM 775 CD2 TRP A 57 12.128 -11.213 10.344 1.00 0.00 C ATOM 776 NE1 TRP A 57 10.533 -12.029 11.677 1.00 0.00 N ATOM 777 CE2 TRP A 57 11.274 -12.282 10.528 1.00 0.00 C ATOM 778 CE3 TRP A 57 13.019 -11.166 9.258 1.00 0.00 C ATOM 779 CZ2 TRP A 57 11.228 -13.384 9.666 1.00 0.00 C ATOM 780 CZ3 TRP A 57 12.960 -12.275 8.405 1.00 0.00 C ATOM 781 CH2 TRP A 57 12.107 -13.358 8.576 1.00 0.00 C ATOM 0 H TRP A 57 13.744 -6.755 11.221 1.00 0.00 H new ATOM 0 HA TRP A 57 11.578 -8.065 10.014 1.00 0.00 H new ATOM 0 HB2 TRP A 57 13.627 -9.005 11.180 1.00 0.00 H new ATOM 0 HB3 TRP A 57 12.757 -8.761 12.682 1.00 0.00 H new ATOM 0 HD1 TRP A 57 10.545 -10.348 13.065 1.00 0.00 H new ATOM 0 HE1 TRP A 57 9.816 -12.633 12.079 1.00 0.00 H new ATOM 0 HE3 TRP A 57 13.695 -10.340 9.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 10.552 -14.209 9.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 13.625 -12.289 7.554 1.00 0.00 H new ATOM 0 HH2 TRP A 57 12.122 -14.176 7.871 1.00 0.00 H new ATOM 792 N ASP A 58 10.938 -6.806 13.003 1.00 0.00 N ATOM 793 CA ASP A 58 9.868 -6.355 13.876 1.00 0.00 C ATOM 794 C ASP A 58 8.887 -5.499 13.072 1.00 0.00 C ATOM 795 O ASP A 58 7.673 -5.657 13.197 1.00 0.00 O ATOM 796 CB ASP A 58 10.414 -5.500 15.021 1.00 0.00 C ATOM 797 CG ASP A 58 9.727 -5.712 16.371 1.00 0.00 C ATOM 798 OD1 ASP A 58 9.829 -6.789 16.977 1.00 0.00 O ATOM 799 OD2 ASP A 58 9.054 -4.701 16.805 1.00 0.00 O ATOM 0 H ASP A 58 11.876 -6.705 13.391 1.00 0.00 H new ATOM 0 HA ASP A 58 9.375 -7.236 14.288 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.478 -5.709 15.135 1.00 0.00 H new ATOM 0 HB3 ASP A 58 10.323 -4.449 14.745 1.00 0.00 H new ATOM 805 N LEU A 59 9.449 -4.610 12.266 1.00 0.00 N ATOM 806 CA LEU A 59 8.639 -3.729 11.443 1.00 0.00 C ATOM 807 C LEU A 59 8.041 -4.528 10.283 1.00 0.00 C ATOM 808 O LEU A 59 6.963 -4.201 9.789 1.00 0.00 O ATOM 809 CB LEU A 59 9.454 -2.514 10.996 1.00 0.00 C ATOM 810 CG LEU A 59 8.785 -1.598 9.969 1.00 0.00 C ATOM 811 CD1 LEU A 59 8.984 -2.130 8.549 1.00 0.00 C ATOM 812 CD2 LEU A 59 7.306 -1.390 10.301 1.00 0.00 C ATOM 0 H LEU A 59 10.456 -4.481 12.166 1.00 0.00 H new ATOM 0 HA LEU A 59 7.805 -3.330 12.020 1.00 0.00 H new ATOM 0 HB2 LEU A 59 9.698 -1.921 11.877 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.397 -2.868 10.578 1.00 0.00 H new ATOM 0 HG LEU A 59 9.266 -0.621 10.018 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.499 -1.461 7.838 1.00 0.00 H new ATOM 0 HD12 LEU A 59 10.050 -2.184 8.327 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.545 -3.125 8.468 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.854 -0.735 9.556 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.793 -2.352 10.297 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.215 -0.934 11.287 1.00 0.00 H new ATOM 824 N ALA A 60 8.768 -5.561 9.881 1.00 0.00 N ATOM 825 CA ALA A 60 8.323 -6.409 8.789 1.00 0.00 C ATOM 826 C ALA A 60 7.087 -7.195 9.230 1.00 0.00 C ATOM 827 O ALA A 60 6.008 -7.034 8.661 1.00 0.00 O ATOM 828 CB ALA A 60 9.470 -7.323 8.352 1.00 0.00 C ATOM 0 H ALA A 60 9.662 -5.829 10.292 1.00 0.00 H new ATOM 0 HA ALA A 60 8.040 -5.806 7.926 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.136 -7.959 7.533 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.313 -6.716 8.020 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.780 -7.945 9.192 1.00 0.00 H new ATOM 834 N ASP A 61 7.285 -8.030 10.240 1.00 0.00 N ATOM 835 CA ASP A 61 6.199 -8.841 10.764 1.00 0.00 C ATOM 836 C ASP A 61 4.913 -8.014 10.783 1.00 0.00 C ATOM 837 O ASP A 61 4.869 -6.941 11.384 1.00 0.00 O ATOM 838 CB ASP A 61 6.492 -9.294 12.196 1.00 0.00 C ATOM 839 CG ASP A 61 5.318 -9.962 12.915 1.00 0.00 C ATOM 840 OD1 ASP A 61 4.225 -10.114 12.350 1.00 0.00 O ATOM 841 OD2 ASP A 61 5.564 -10.340 14.124 1.00 0.00 O ATOM 0 H ASP A 61 8.181 -8.162 10.709 1.00 0.00 H new ATOM 0 HA ASP A 61 6.092 -9.716 10.123 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.330 -9.990 12.177 1.00 0.00 H new ATOM 0 HB3 ASP A 61 6.810 -8.428 12.777 1.00 0.00 H new ATOM 847 N THR A 62 3.896 -8.543 10.119 1.00 0.00 N ATOM 848 CA THR A 62 2.612 -7.867 10.052 1.00 0.00 C ATOM 849 C THR A 62 1.497 -8.869 9.749 1.00 0.00 C ATOM 850 O THR A 62 0.438 -8.833 10.374 1.00 0.00 O ATOM 851 CB THR A 62 2.721 -6.747 9.015 1.00 0.00 C ATOM 852 OG1 THR A 62 3.786 -5.931 9.495 1.00 0.00 O ATOM 853 CG2 THR A 62 1.505 -5.818 9.027 1.00 0.00 C ATOM 0 H THR A 62 3.935 -9.433 9.622 1.00 0.00 H new ATOM 0 HA THR A 62 2.351 -7.418 11.010 1.00 0.00 H new ATOM 0 HB THR A 62 2.836 -7.182 8.022 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.800 -5.954 10.475 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.633 -5.041 8.273 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.606 -6.393 8.807 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.409 -5.357 10.010 1.00 0.00 H new ATOM 861 N ASP A 63 1.772 -9.741 8.790 1.00 0.00 N ATOM 862 CA ASP A 63 0.805 -10.751 8.396 1.00 0.00 C ATOM 863 C ASP A 63 0.229 -11.414 9.649 1.00 0.00 C ATOM 864 O ASP A 63 -0.984 -11.589 9.761 1.00 0.00 O ATOM 865 CB ASP A 63 1.461 -11.840 7.544 1.00 0.00 C ATOM 866 CG ASP A 63 0.486 -12.761 6.808 1.00 0.00 C ATOM 867 OD1 ASP A 63 0.274 -13.915 7.207 1.00 0.00 O ATOM 868 OD2 ASP A 63 -0.075 -12.241 5.769 1.00 0.00 O ATOM 0 H ASP A 63 2.651 -9.769 8.274 1.00 0.00 H new ATOM 0 HA ASP A 63 0.023 -10.261 7.815 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.111 -11.364 6.810 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.097 -12.449 8.186 1.00 0.00 H new ATOM 874 N GLY A 64 1.125 -11.766 10.559 1.00 0.00 N ATOM 875 CA GLY A 64 0.720 -12.406 11.799 1.00 0.00 C ATOM 876 C GLY A 64 1.234 -13.846 11.866 1.00 0.00 C ATOM 877 O GLY A 64 0.504 -14.751 12.266 1.00 0.00 O ATOM 0 H GLY A 64 2.130 -11.620 10.463 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.104 -11.839 12.647 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.367 -12.400 11.877 1.00 0.00 H new ATOM 881 N LYS A 65 2.487 -14.012 11.468 1.00 0.00 N ATOM 882 CA LYS A 65 3.107 -15.326 11.478 1.00 0.00 C ATOM 883 C LYS A 65 4.566 -15.200 11.035 1.00 0.00 C ATOM 884 O LYS A 65 4.983 -14.148 10.553 1.00 0.00 O ATOM 885 CB LYS A 65 2.291 -16.310 10.637 1.00 0.00 C ATOM 886 CG LYS A 65 2.163 -15.821 9.192 1.00 0.00 C ATOM 887 CD LYS A 65 1.789 -16.971 8.255 1.00 0.00 C ATOM 888 CE LYS A 65 0.374 -16.789 7.702 1.00 0.00 C ATOM 889 NZ LYS A 65 -0.363 -18.072 7.732 1.00 0.00 N ATOM 0 H LYS A 65 3.089 -13.258 11.137 1.00 0.00 H new ATOM 0 HA LYS A 65 3.115 -15.736 12.488 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.768 -17.290 10.652 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.299 -16.431 11.073 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.405 -15.039 9.135 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.105 -15.376 8.870 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.502 -17.021 7.432 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.855 -17.918 8.791 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.160 -16.042 8.290 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.422 -16.414 6.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.321 -17.931 7.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.139 -18.774 7.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.425 -18.414 8.712 1.00 0.00 H new ATOM 900 N GLY A 66 5.301 -16.287 11.214 1.00 0.00 N ATOM 901 CA GLY A 66 6.705 -16.312 10.838 1.00 0.00 C ATOM 902 C GLY A 66 6.871 -16.153 9.326 1.00 0.00 C ATOM 903 O GLY A 66 7.498 -15.202 8.863 1.00 0.00 O ATOM 0 H GLY A 66 4.951 -17.157 11.614 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.237 -15.511 11.352 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.155 -17.251 11.160 1.00 0.00 H new ATOM 907 N VAL A 67 6.297 -17.100 8.597 1.00 0.00 N ATOM 908 CA VAL A 67 6.373 -17.077 7.146 1.00 0.00 C ATOM 909 C VAL A 67 6.228 -15.636 6.655 1.00 0.00 C ATOM 910 O VAL A 67 5.508 -14.840 7.257 1.00 0.00 O ATOM 911 CB VAL A 67 5.325 -18.020 6.552 1.00 0.00 C ATOM 912 CG1 VAL A 67 5.476 -18.121 5.033 1.00 0.00 C ATOM 913 CG2 VAL A 67 5.399 -19.402 7.204 1.00 0.00 C ATOM 0 H VAL A 67 5.778 -17.888 8.984 1.00 0.00 H new ATOM 0 HA VAL A 67 7.344 -17.439 6.809 1.00 0.00 H new ATOM 0 HB VAL A 67 4.341 -17.602 6.763 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.719 -18.797 4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.349 -17.134 4.588 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.467 -18.504 4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.644 -20.053 6.764 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.388 -19.830 7.039 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.218 -19.309 8.275 1.00 0.00 H new ATOM 923 N LEU A 68 6.923 -15.342 5.566 1.00 0.00 N ATOM 924 CA LEU A 68 6.880 -14.011 4.986 1.00 0.00 C ATOM 925 C LEU A 68 5.961 -14.021 3.763 1.00 0.00 C ATOM 926 O LEU A 68 5.551 -15.083 3.299 1.00 0.00 O ATOM 927 CB LEU A 68 8.295 -13.510 4.689 1.00 0.00 C ATOM 928 CG LEU A 68 9.255 -13.467 5.879 1.00 0.00 C ATOM 929 CD1 LEU A 68 10.625 -12.932 5.459 1.00 0.00 C ATOM 930 CD2 LEU A 68 8.657 -12.666 7.037 1.00 0.00 C ATOM 0 H LEU A 68 7.520 -16.004 5.070 1.00 0.00 H new ATOM 0 HA LEU A 68 6.458 -13.300 5.696 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.730 -14.147 3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.223 -12.507 4.269 1.00 0.00 H new ATOM 0 HG LEU A 68 9.403 -14.486 6.235 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.288 -12.912 6.324 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.049 -13.580 4.692 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.515 -11.923 5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.360 -12.651 7.870 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.460 -11.645 6.710 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.724 -13.130 7.357 1.00 0.00 H new ATOM 942 N SER A 69 5.665 -12.825 3.276 1.00 0.00 N ATOM 943 CA SER A 69 4.802 -12.682 2.115 1.00 0.00 C ATOM 944 C SER A 69 5.520 -11.887 1.023 1.00 0.00 C ATOM 945 O SER A 69 6.745 -11.776 1.035 1.00 0.00 O ATOM 946 CB SER A 69 3.484 -12.000 2.489 1.00 0.00 C ATOM 947 OG SER A 69 2.970 -12.476 3.729 1.00 0.00 O ATOM 0 H SER A 69 6.007 -11.946 3.664 1.00 0.00 H new ATOM 0 HA SER A 69 4.570 -13.678 1.737 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.638 -10.923 2.550 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.750 -12.173 1.702 1.00 0.00 H new ATOM 0 HG SER A 69 2.129 -12.015 3.933 1.00 0.00 H new ATOM 953 N LYS A 70 4.728 -11.354 0.106 1.00 0.00 N ATOM 954 CA LYS A 70 5.273 -10.572 -0.991 1.00 0.00 C ATOM 955 C LYS A 70 5.808 -9.245 -0.449 1.00 0.00 C ATOM 956 O LYS A 70 6.958 -9.164 -0.020 1.00 0.00 O ATOM 957 CB LYS A 70 4.233 -10.408 -2.101 1.00 0.00 C ATOM 958 CG LYS A 70 4.303 -11.570 -3.095 1.00 0.00 C ATOM 959 CD LYS A 70 3.038 -12.427 -3.027 1.00 0.00 C ATOM 960 CE LYS A 70 3.291 -13.717 -2.244 1.00 0.00 C ATOM 961 NZ LYS A 70 2.430 -13.771 -1.041 1.00 0.00 N ATOM 0 H LYS A 70 3.712 -11.448 0.099 1.00 0.00 H new ATOM 0 HA LYS A 70 6.114 -11.093 -1.449 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.235 -10.358 -1.665 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.400 -9.467 -2.624 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.429 -11.182 -4.106 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.176 -12.186 -2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.236 -11.861 -2.553 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.704 -12.669 -4.036 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.092 -14.580 -2.880 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.339 -13.772 -1.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.782 -14.506 -0.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.448 -12.849 -0.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.454 -13.996 -1.322 1.00 0.00 H new ATOM 972 N GLN A 71 4.948 -8.237 -0.487 1.00 0.00 N ATOM 973 CA GLN A 71 5.320 -6.918 -0.004 1.00 0.00 C ATOM 974 C GLN A 71 6.194 -7.036 1.246 1.00 0.00 C ATOM 975 O GLN A 71 7.236 -6.390 1.343 1.00 0.00 O ATOM 976 CB GLN A 71 4.080 -6.066 0.272 1.00 0.00 C ATOM 977 CG GLN A 71 3.850 -5.051 -0.850 1.00 0.00 C ATOM 978 CD GLN A 71 2.888 -3.948 -0.403 1.00 0.00 C ATOM 979 OE1 GLN A 71 1.700 -4.160 -0.225 1.00 0.00 O ATOM 980 NE2 GLN A 71 3.466 -2.762 -0.233 1.00 0.00 N ATOM 0 H GLN A 71 3.995 -8.307 -0.845 1.00 0.00 H new ATOM 0 HA GLN A 71 5.899 -6.418 -0.781 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.206 -6.710 0.369 1.00 0.00 H new ATOM 0 HB3 GLN A 71 4.198 -5.543 1.221 1.00 0.00 H new ATOM 0 HG2 GLN A 71 4.802 -4.610 -1.147 1.00 0.00 H new ATOM 0 HG3 GLN A 71 3.446 -5.558 -1.726 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.466 -2.654 -0.400 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.909 -1.961 0.064 1.00 0.00 H new ATOM 989 N GLU A 72 5.737 -7.867 2.172 1.00 0.00 N ATOM 990 CA GLU A 72 6.464 -8.078 3.412 1.00 0.00 C ATOM 991 C GLU A 72 7.961 -8.224 3.131 1.00 0.00 C ATOM 992 O GLU A 72 8.746 -7.332 3.448 1.00 0.00 O ATOM 993 CB GLU A 72 5.926 -9.298 4.162 1.00 0.00 C ATOM 994 CG GLU A 72 4.843 -8.892 5.164 1.00 0.00 C ATOM 995 CD GLU A 72 5.022 -9.628 6.493 1.00 0.00 C ATOM 996 OE1 GLU A 72 5.741 -9.143 7.379 1.00 0.00 O ATOM 997 OE2 GLU A 72 4.381 -10.743 6.589 1.00 0.00 O ATOM 0 H GLU A 72 4.872 -8.402 2.088 1.00 0.00 H new ATOM 0 HA GLU A 72 6.317 -7.206 4.050 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.518 -10.016 3.451 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.742 -9.797 4.685 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.883 -7.816 5.332 1.00 0.00 H new ATOM 0 HG3 GLU A 72 3.859 -9.114 4.751 1.00 0.00 H new ATOM 1005 N PHE A 73 8.312 -9.357 2.539 1.00 0.00 N ATOM 1006 CA PHE A 73 9.701 -9.631 2.212 1.00 0.00 C ATOM 1007 C PHE A 73 10.262 -8.566 1.267 1.00 0.00 C ATOM 1008 O PHE A 73 11.410 -8.147 1.410 1.00 0.00 O ATOM 1009 CB PHE A 73 9.735 -10.989 1.508 1.00 0.00 C ATOM 1010 CG PHE A 73 11.024 -11.253 0.728 1.00 0.00 C ATOM 1011 CD1 PHE A 73 11.143 -10.821 -0.556 1.00 0.00 C ATOM 1012 CD2 PHE A 73 12.051 -11.921 1.318 1.00 0.00 C ATOM 1013 CE1 PHE A 73 12.340 -11.066 -1.280 1.00 0.00 C ATOM 1014 CE2 PHE A 73 13.248 -12.167 0.594 1.00 0.00 C ATOM 1015 CZ PHE A 73 13.367 -11.734 -0.690 1.00 0.00 C ATOM 0 H PHE A 73 7.659 -10.095 2.278 1.00 0.00 H new ATOM 0 HA PHE A 73 10.305 -9.628 3.120 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.605 -11.775 2.251 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.889 -11.053 0.824 1.00 0.00 H new ATOM 0 HD1 PHE A 73 10.327 -10.291 -1.025 1.00 0.00 H new ATOM 0 HD2 PHE A 73 11.956 -12.265 2.338 1.00 0.00 H new ATOM 0 HE1 PHE A 73 12.435 -10.722 -2.299 1.00 0.00 H new ATOM 0 HE2 PHE A 73 14.063 -12.698 1.063 1.00 0.00 H new ATOM 0 HZ PHE A 73 14.277 -11.921 -1.241 1.00 0.00 H new ATOM 1025 N PHE A 74 9.427 -8.159 0.323 1.00 0.00 N ATOM 1026 CA PHE A 74 9.826 -7.151 -0.645 1.00 0.00 C ATOM 1027 C PHE A 74 10.090 -5.808 0.039 1.00 0.00 C ATOM 1028 O PHE A 74 10.702 -4.918 -0.549 1.00 0.00 O ATOM 1029 CB PHE A 74 8.663 -6.989 -1.627 1.00 0.00 C ATOM 1030 CG PHE A 74 8.901 -7.649 -2.986 1.00 0.00 C ATOM 1031 CD1 PHE A 74 8.696 -8.985 -3.139 1.00 0.00 C ATOM 1032 CD2 PHE A 74 9.317 -6.899 -4.043 1.00 0.00 C ATOM 1033 CE1 PHE A 74 8.917 -9.597 -4.401 1.00 0.00 C ATOM 1034 CE2 PHE A 74 9.537 -7.512 -5.305 1.00 0.00 C ATOM 1035 CZ PHE A 74 9.333 -8.847 -5.457 1.00 0.00 C ATOM 0 H PHE A 74 8.476 -8.509 0.207 1.00 0.00 H new ATOM 0 HA PHE A 74 10.743 -7.460 -1.147 1.00 0.00 H new ATOM 0 HB2 PHE A 74 7.763 -7.412 -1.181 1.00 0.00 H new ATOM 0 HB3 PHE A 74 8.474 -5.926 -1.779 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.365 -9.580 -2.301 1.00 0.00 H new ATOM 0 HD2 PHE A 74 9.480 -5.838 -3.922 1.00 0.00 H new ATOM 0 HE1 PHE A 74 8.755 -10.658 -4.523 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.866 -6.917 -6.144 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.501 -9.313 -6.417 1.00 0.00 H new ATOM 1045 N VAL A 75 9.617 -5.705 1.272 1.00 0.00 N ATOM 1046 CA VAL A 75 9.795 -4.486 2.043 1.00 0.00 C ATOM 1047 C VAL A 75 11.103 -4.573 2.831 1.00 0.00 C ATOM 1048 O VAL A 75 12.020 -3.785 2.607 1.00 0.00 O ATOM 1049 CB VAL A 75 8.574 -4.247 2.934 1.00 0.00 C ATOM 1050 CG1 VAL A 75 8.951 -3.435 4.174 1.00 0.00 C ATOM 1051 CG2 VAL A 75 7.449 -3.565 2.152 1.00 0.00 C ATOM 0 H VAL A 75 9.110 -6.446 1.757 1.00 0.00 H new ATOM 0 HA VAL A 75 9.871 -3.623 1.381 1.00 0.00 H new ATOM 0 HB VAL A 75 8.208 -5.218 3.268 1.00 0.00 H new ATOM 0 HG11 VAL A 75 8.065 -3.279 4.790 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.702 -3.976 4.749 1.00 0.00 H new ATOM 0 HG13 VAL A 75 9.354 -2.470 3.868 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.593 -3.407 2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 75 7.799 -2.604 1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.152 -4.197 1.315 1.00 0.00 H new ATOM 1061 N ALA A 76 11.147 -5.537 3.739 1.00 0.00 N ATOM 1062 CA ALA A 76 12.327 -5.737 4.562 1.00 0.00 C ATOM 1063 C ALA A 76 13.570 -5.747 3.670 1.00 0.00 C ATOM 1064 O ALA A 76 14.667 -5.422 4.123 1.00 0.00 O ATOM 1065 CB ALA A 76 12.177 -7.030 5.366 1.00 0.00 C ATOM 0 H ALA A 76 10.384 -6.188 3.923 1.00 0.00 H new ATOM 0 HA ALA A 76 12.439 -4.921 5.276 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.063 -7.179 5.983 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.297 -6.961 6.005 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.064 -7.872 4.683 1.00 0.00 H new ATOM 1071 N LEU A 77 13.357 -6.123 2.417 1.00 0.00 N ATOM 1072 CA LEU A 77 14.447 -6.180 1.457 1.00 0.00 C ATOM 1073 C LEU A 77 15.022 -4.775 1.262 1.00 0.00 C ATOM 1074 O LEU A 77 16.098 -4.465 1.771 1.00 0.00 O ATOM 1075 CB LEU A 77 13.982 -6.839 0.157 1.00 0.00 C ATOM 1076 CG LEU A 77 14.702 -8.132 -0.233 1.00 0.00 C ATOM 1077 CD1 LEU A 77 14.196 -8.656 -1.579 1.00 0.00 C ATOM 1078 CD2 LEU A 77 16.220 -7.936 -0.229 1.00 0.00 C ATOM 0 H LEU A 77 12.446 -6.391 2.045 1.00 0.00 H new ATOM 0 HA LEU A 77 15.255 -6.807 1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 77 12.916 -7.051 0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.101 -6.121 -0.654 1.00 0.00 H new ATOM 0 HG LEU A 77 14.473 -8.891 0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.724 -9.575 -1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.127 -8.858 -1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 77 14.377 -7.909 -2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 77 16.708 -8.869 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.488 -7.157 -0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.546 -7.641 0.768 1.00 0.00 H new ATOM 1090 N ARG A 78 14.280 -3.963 0.524 1.00 0.00 N ATOM 1091 CA ARG A 78 14.703 -2.599 0.256 1.00 0.00 C ATOM 1092 C ARG A 78 14.977 -1.861 1.568 1.00 0.00 C ATOM 1093 O ARG A 78 15.952 -1.119 1.674 1.00 0.00 O ATOM 1094 CB ARG A 78 13.638 -1.838 -0.537 1.00 0.00 C ATOM 1095 CG ARG A 78 13.750 -2.138 -2.033 1.00 0.00 C ATOM 1096 CD ARG A 78 15.170 -1.875 -2.540 1.00 0.00 C ATOM 1097 NE ARG A 78 15.896 -3.154 -2.699 1.00 0.00 N ATOM 1098 CZ ARG A 78 16.859 -3.369 -3.620 1.00 0.00 C ATOM 1099 NH1 ARG A 78 17.220 -2.388 -4.475 1.00 0.00 N ATOM 1100 NH2 ARG A 78 17.443 -4.552 -3.673 1.00 0.00 N ATOM 0 H ARG A 78 13.388 -4.223 0.103 1.00 0.00 H new ATOM 0 HA ARG A 78 15.617 -2.645 -0.336 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.646 -2.115 -0.180 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.750 -0.767 -0.368 1.00 0.00 H new ATOM 0 HG2 ARG A 78 13.480 -3.177 -2.220 1.00 0.00 H new ATOM 0 HG3 ARG A 78 13.042 -1.520 -2.586 1.00 0.00 H new ATOM 0 HD2 ARG A 78 15.133 -1.348 -3.493 1.00 0.00 H new ATOM 0 HD3 ARG A 78 15.701 -1.230 -1.840 1.00 0.00 H new ATOM 0 HE ARG A 78 15.654 -3.922 -2.073 1.00 0.00 H new ATOM 0 HH11 ARG A 78 16.764 -1.477 -4.428 1.00 0.00 H new ATOM 0 HH12 ARG A 78 17.949 -2.558 -5.168 1.00 0.00 H new ATOM 0 HH21 ARG A 78 17.165 -5.288 -3.024 1.00 0.00 H new ATOM 0 HH22 ARG A 78 18.172 -4.730 -4.363 1.00 0.00 H new ATOM 1113 N LEU A 79 14.098 -2.089 2.533 1.00 0.00 N ATOM 1114 CA LEU A 79 14.233 -1.455 3.833 1.00 0.00 C ATOM 1115 C LEU A 79 15.695 -1.526 4.281 1.00 0.00 C ATOM 1116 O LEU A 79 16.225 -0.564 4.836 1.00 0.00 O ATOM 1117 CB LEU A 79 13.253 -2.070 4.834 1.00 0.00 C ATOM 1118 CG LEU A 79 12.779 -1.149 5.960 1.00 0.00 C ATOM 1119 CD1 LEU A 79 11.574 -1.749 6.688 1.00 0.00 C ATOM 1120 CD2 LEU A 79 13.924 -0.823 6.920 1.00 0.00 C ATOM 0 H LEU A 79 13.290 -2.704 2.440 1.00 0.00 H new ATOM 0 HA LEU A 79 13.969 -0.399 3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 79 12.378 -2.422 4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.723 -2.946 5.281 1.00 0.00 H new ATOM 0 HG LEU A 79 12.452 -0.208 5.517 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.257 -1.075 7.484 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.755 -1.888 5.982 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.851 -2.712 7.117 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.560 -0.167 7.711 1.00 0.00 H new ATOM 0 HD22 LEU A 79 14.304 -1.745 7.360 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.725 -0.324 6.375 1.00 0.00 H new ATOM 1132 N VAL A 80 16.304 -2.674 4.024 1.00 0.00 N ATOM 1133 CA VAL A 80 17.694 -2.882 4.393 1.00 0.00 C ATOM 1134 C VAL A 80 18.569 -1.854 3.674 1.00 0.00 C ATOM 1135 O VAL A 80 19.460 -1.261 4.280 1.00 0.00 O ATOM 1136 CB VAL A 80 18.103 -4.327 4.097 1.00 0.00 C ATOM 1137 CG1 VAL A 80 19.581 -4.555 4.419 1.00 0.00 C ATOM 1138 CG2 VAL A 80 17.217 -5.315 4.858 1.00 0.00 C ATOM 0 H VAL A 80 15.861 -3.470 3.565 1.00 0.00 H new ATOM 0 HA VAL A 80 17.831 -2.732 5.464 1.00 0.00 H new ATOM 0 HB VAL A 80 17.961 -4.503 3.031 1.00 0.00 H new ATOM 0 HG11 VAL A 80 19.846 -5.589 4.200 1.00 0.00 H new ATOM 0 HG12 VAL A 80 20.193 -3.887 3.812 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.759 -4.351 5.475 1.00 0.00 H new ATOM 0 HG21 VAL A 80 17.529 -6.334 4.630 1.00 0.00 H new ATOM 0 HG22 VAL A 80 17.312 -5.138 5.929 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.178 -5.178 4.558 1.00 0.00 H new ATOM 1148 N ALA A 81 18.283 -1.673 2.393 1.00 0.00 N ATOM 1149 CA ALA A 81 19.032 -0.726 1.586 1.00 0.00 C ATOM 1150 C ALA A 81 18.832 0.684 2.143 1.00 0.00 C ATOM 1151 O ALA A 81 19.585 1.599 1.814 1.00 0.00 O ATOM 1152 CB ALA A 81 18.595 -0.843 0.124 1.00 0.00 C ATOM 0 H ALA A 81 17.543 -2.166 1.894 1.00 0.00 H new ATOM 0 HA ALA A 81 20.099 -0.947 1.626 1.00 0.00 H new ATOM 0 HB1 ALA A 81 19.157 -0.132 -0.482 1.00 0.00 H new ATOM 0 HB2 ALA A 81 18.786 -1.855 -0.233 1.00 0.00 H new ATOM 0 HB3 ALA A 81 17.530 -0.625 0.044 1.00 0.00 H new ATOM 1158 N CYS A 82 17.812 0.816 2.979 1.00 0.00 N ATOM 1159 CA CYS A 82 17.504 2.100 3.586 1.00 0.00 C ATOM 1160 C CYS A 82 18.522 2.363 4.697 1.00 0.00 C ATOM 1161 O CYS A 82 19.363 3.253 4.575 1.00 0.00 O ATOM 1162 CB CYS A 82 16.066 2.148 4.107 1.00 0.00 C ATOM 1163 SG CYS A 82 15.429 3.862 4.028 1.00 0.00 S ATOM 0 H CYS A 82 17.189 0.055 3.250 1.00 0.00 H new ATOM 0 HA CYS A 82 17.576 2.887 2.835 1.00 0.00 H new ATOM 0 HB2 CYS A 82 15.433 1.488 3.513 1.00 0.00 H new ATOM 0 HB3 CYS A 82 16.030 1.785 5.134 1.00 0.00 H new ATOM 0 HG CYS A 82 14.745 4.121 5.103 1.00 0.00 H new ATOM 1169 N ALA A 83 18.413 1.574 5.755 1.00 0.00 N ATOM 1170 CA ALA A 83 19.314 1.711 6.887 1.00 0.00 C ATOM 1171 C ALA A 83 20.759 1.587 6.401 1.00 0.00 C ATOM 1172 O ALA A 83 21.686 2.024 7.081 1.00 0.00 O ATOM 1173 CB ALA A 83 18.963 0.665 7.948 1.00 0.00 C ATOM 0 H ALA A 83 17.714 0.837 5.853 1.00 0.00 H new ATOM 0 HA ALA A 83 19.205 2.693 7.348 1.00 0.00 H new ATOM 0 HB1 ALA A 83 19.639 0.767 8.797 1.00 0.00 H new ATOM 0 HB2 ALA A 83 17.936 0.815 8.281 1.00 0.00 H new ATOM 0 HB3 ALA A 83 19.064 -0.333 7.522 1.00 0.00 H new ATOM 1179 N GLN A 84 20.906 0.988 5.228 1.00 0.00 N ATOM 1180 CA GLN A 84 22.223 0.801 4.643 1.00 0.00 C ATOM 1181 C GLN A 84 22.911 2.153 4.442 1.00 0.00 C ATOM 1182 O GLN A 84 24.121 2.211 4.227 1.00 0.00 O ATOM 1183 CB GLN A 84 22.132 0.031 3.325 1.00 0.00 C ATOM 1184 CG GLN A 84 22.049 -1.477 3.575 1.00 0.00 C ATOM 1185 CD GLN A 84 23.319 -2.183 3.095 1.00 0.00 C ATOM 1186 OE1 GLN A 84 23.972 -2.907 3.828 1.00 0.00 O ATOM 1187 NE2 GLN A 84 23.630 -1.934 1.826 1.00 0.00 N ATOM 0 H GLN A 84 20.135 0.626 4.667 1.00 0.00 H new ATOM 0 HA GLN A 84 22.825 0.208 5.332 1.00 0.00 H new ATOM 0 HB2 GLN A 84 21.255 0.360 2.768 1.00 0.00 H new ATOM 0 HB3 GLN A 84 23.003 0.254 2.709 1.00 0.00 H new ATOM 0 HG2 GLN A 84 21.904 -1.665 4.639 1.00 0.00 H new ATOM 0 HG3 GLN A 84 21.182 -1.888 3.057 1.00 0.00 H new ATOM 0 HE21 GLN A 84 23.039 -1.318 1.268 1.00 0.00 H new ATOM 0 HE22 GLN A 84 24.459 -2.359 1.411 1.00 0.00 H new ATOM 1196 N ASN A 85 22.111 3.206 4.520 1.00 0.00 N ATOM 1197 CA ASN A 85 22.628 4.553 4.349 1.00 0.00 C ATOM 1198 C ASN A 85 22.640 5.265 5.703 1.00 0.00 C ATOM 1199 O ASN A 85 22.799 6.483 5.767 1.00 0.00 O ATOM 1200 CB ASN A 85 21.748 5.364 3.396 1.00 0.00 C ATOM 1201 CG ASN A 85 22.600 6.208 2.447 1.00 0.00 C ATOM 1202 OD1 ASN A 85 23.407 5.704 1.682 1.00 0.00 O ATOM 1203 ND2 ASN A 85 22.377 7.516 2.537 1.00 0.00 N ATOM 0 H ASN A 85 21.108 3.154 4.699 1.00 0.00 H new ATOM 0 HA ASN A 85 23.634 4.478 3.935 1.00 0.00 H new ATOM 0 HB2 ASN A 85 21.114 4.691 2.819 1.00 0.00 H new ATOM 0 HB3 ASN A 85 21.086 6.012 3.970 1.00 0.00 H new ATOM 0 HD21 ASN A 85 22.896 8.164 1.944 1.00 0.00 H new ATOM 0 HD22 ASN A 85 21.687 7.871 3.199 1.00 0.00 H new ATOM 1210 N GLY A 86 22.471 4.475 6.753 1.00 0.00 N ATOM 1211 CA GLY A 86 22.461 5.014 8.102 1.00 0.00 C ATOM 1212 C GLY A 86 21.128 5.700 8.408 1.00 0.00 C ATOM 1213 O GLY A 86 20.975 6.329 9.455 1.00 0.00 O ATOM 0 H GLY A 86 22.340 3.465 6.697 1.00 0.00 H new ATOM 0 HA2 GLY A 86 22.634 4.212 8.819 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.277 5.728 8.218 1.00 0.00 H new ATOM 1217 N LEU A 87 20.197 5.555 7.477 1.00 0.00 N ATOM 1218 CA LEU A 87 18.882 6.153 7.634 1.00 0.00 C ATOM 1219 C LEU A 87 18.052 5.303 8.598 1.00 0.00 C ATOM 1220 O LEU A 87 18.515 4.268 9.075 1.00 0.00 O ATOM 1221 CB LEU A 87 18.220 6.358 6.270 1.00 0.00 C ATOM 1222 CG LEU A 87 19.019 7.177 5.253 1.00 0.00 C ATOM 1223 CD1 LEU A 87 18.785 6.663 3.831 1.00 0.00 C ATOM 1224 CD2 LEU A 87 18.705 8.668 5.383 1.00 0.00 C ATOM 0 H LEU A 87 20.327 5.032 6.611 1.00 0.00 H new ATOM 0 HA LEU A 87 18.966 7.146 8.075 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.014 5.379 5.837 1.00 0.00 H new ATOM 0 HB3 LEU A 87 17.258 6.847 6.425 1.00 0.00 H new ATOM 0 HG LEU A 87 20.080 7.052 5.470 1.00 0.00 H new ATOM 0 HD11 LEU A 87 19.364 7.262 3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 87 19.099 5.621 3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.726 6.739 3.586 1.00 0.00 H new ATOM 0 HD21 LEU A 87 19.286 9.227 4.649 1.00 0.00 H new ATOM 0 HD22 LEU A 87 17.642 8.833 5.207 1.00 0.00 H new ATOM 0 HD23 LEU A 87 18.963 9.008 6.386 1.00 0.00 H new ATOM 1236 N GLU A 88 16.840 5.771 8.856 1.00 0.00 N ATOM 1237 CA GLU A 88 15.941 5.066 9.755 1.00 0.00 C ATOM 1238 C GLU A 88 15.795 3.606 9.322 1.00 0.00 C ATOM 1239 O GLU A 88 16.103 3.258 8.183 1.00 0.00 O ATOM 1240 CB GLU A 88 14.578 5.757 9.820 1.00 0.00 C ATOM 1241 CG GLU A 88 14.021 5.737 11.245 1.00 0.00 C ATOM 1242 CD GLU A 88 12.893 6.759 11.408 1.00 0.00 C ATOM 1243 OE1 GLU A 88 13.046 7.920 11.001 1.00 0.00 O ATOM 1244 OE2 GLU A 88 11.828 6.309 11.979 1.00 0.00 O ATOM 0 H GLU A 88 16.459 6.630 8.459 1.00 0.00 H new ATOM 0 HA GLU A 88 16.370 5.087 10.757 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.672 6.787 9.477 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.881 5.259 9.146 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.649 4.740 11.480 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.819 5.955 11.954 1.00 0.00 H new ATOM 1252 N VAL A 89 15.325 2.790 10.254 1.00 0.00 N ATOM 1253 CA VAL A 89 15.134 1.375 9.983 1.00 0.00 C ATOM 1254 C VAL A 89 13.640 1.089 9.819 1.00 0.00 C ATOM 1255 O VAL A 89 13.242 -0.058 9.620 1.00 0.00 O ATOM 1256 CB VAL A 89 15.785 0.539 11.087 1.00 0.00 C ATOM 1257 CG1 VAL A 89 15.891 -0.930 10.671 1.00 0.00 C ATOM 1258 CG2 VAL A 89 17.156 1.102 11.466 1.00 0.00 C ATOM 0 H VAL A 89 15.071 3.082 11.198 1.00 0.00 H new ATOM 0 HA VAL A 89 15.623 1.095 9.050 1.00 0.00 H new ATOM 0 HB VAL A 89 15.146 0.593 11.969 1.00 0.00 H new ATOM 0 HG11 VAL A 89 16.357 -1.503 11.473 1.00 0.00 H new ATOM 0 HG12 VAL A 89 14.894 -1.325 10.475 1.00 0.00 H new ATOM 0 HG13 VAL A 89 16.497 -1.010 9.769 1.00 0.00 H new ATOM 0 HG21 VAL A 89 17.596 0.489 12.252 1.00 0.00 H new ATOM 0 HG22 VAL A 89 17.807 1.093 10.592 1.00 0.00 H new ATOM 0 HG23 VAL A 89 17.043 2.125 11.824 1.00 0.00 H new ATOM 1268 N SER A 90 12.853 2.151 9.907 1.00 0.00 N ATOM 1269 CA SER A 90 11.412 2.028 9.771 1.00 0.00 C ATOM 1270 C SER A 90 10.998 2.301 8.323 1.00 0.00 C ATOM 1271 O SER A 90 11.750 2.910 7.563 1.00 0.00 O ATOM 1272 CB SER A 90 10.685 2.983 10.719 1.00 0.00 C ATOM 1273 OG SER A 90 11.167 2.877 12.056 1.00 0.00 O ATOM 0 H SER A 90 13.186 3.101 10.071 1.00 0.00 H new ATOM 0 HA SER A 90 11.130 1.010 10.038 1.00 0.00 H new ATOM 0 HB2 SER A 90 10.811 4.007 10.368 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.616 2.769 10.701 1.00 0.00 H new ATOM 0 HG SER A 90 10.679 3.504 12.630 1.00 0.00 H new ATOM 1279 N LEU A 91 9.804 1.837 7.985 1.00 0.00 N ATOM 1280 CA LEU A 91 9.282 2.024 6.642 1.00 0.00 C ATOM 1281 C LEU A 91 9.165 3.521 6.348 1.00 0.00 C ATOM 1282 O LEU A 91 9.133 3.929 5.188 1.00 0.00 O ATOM 1283 CB LEU A 91 7.968 1.259 6.467 1.00 0.00 C ATOM 1284 CG LEU A 91 8.050 -0.038 5.660 1.00 0.00 C ATOM 1285 CD1 LEU A 91 6.676 -0.702 5.548 1.00 0.00 C ATOM 1286 CD2 LEU A 91 8.681 0.209 4.288 1.00 0.00 C ATOM 0 H LEU A 91 9.183 1.332 8.618 1.00 0.00 H new ATOM 0 HA LEU A 91 9.969 1.607 5.905 1.00 0.00 H new ATOM 0 HB2 LEU A 91 7.573 1.024 7.455 1.00 0.00 H new ATOM 0 HB3 LEU A 91 7.248 1.919 5.984 1.00 0.00 H new ATOM 0 HG LEU A 91 8.700 -0.732 6.193 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.762 -1.622 4.970 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.302 -0.934 6.545 1.00 0.00 H new ATOM 0 HD13 LEU A 91 5.984 -0.024 5.049 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.727 -0.729 3.735 1.00 0.00 H new ATOM 0 HD22 LEU A 91 8.077 0.928 3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 91 9.688 0.605 4.417 1.00 0.00 H new ATOM 1298 N SER A 92 9.106 4.299 7.419 1.00 0.00 N ATOM 1299 CA SER A 92 8.994 5.742 7.290 1.00 0.00 C ATOM 1300 C SER A 92 10.123 6.278 6.408 1.00 0.00 C ATOM 1301 O SER A 92 9.883 7.074 5.501 1.00 0.00 O ATOM 1302 CB SER A 92 9.024 6.421 8.661 1.00 0.00 C ATOM 1303 OG SER A 92 7.715 6.712 9.142 1.00 0.00 O ATOM 0 H SER A 92 9.134 3.957 8.380 1.00 0.00 H new ATOM 0 HA SER A 92 8.036 5.970 6.822 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.537 5.775 9.374 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.600 7.344 8.596 1.00 0.00 H new ATOM 0 HG SER A 92 7.777 7.143 10.020 1.00 0.00 H new ATOM 1309 N SER A 93 11.331 5.820 6.704 1.00 0.00 N ATOM 1310 CA SER A 93 12.498 6.244 5.949 1.00 0.00 C ATOM 1311 C SER A 93 12.506 5.568 4.576 1.00 0.00 C ATOM 1312 O SER A 93 13.131 6.064 3.640 1.00 0.00 O ATOM 1313 CB SER A 93 13.789 5.925 6.705 1.00 0.00 C ATOM 1314 OG SER A 93 13.870 4.549 7.066 1.00 0.00 O ATOM 0 H SER A 93 11.527 5.160 7.456 1.00 0.00 H new ATOM 0 HA SER A 93 12.445 7.324 5.815 1.00 0.00 H new ATOM 0 HB2 SER A 93 14.646 6.188 6.086 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.844 6.539 7.604 1.00 0.00 H new ATOM 0 HG SER A 93 12.976 4.149 7.034 1.00 0.00 H new ATOM 1320 N LEU A 94 11.805 4.447 4.499 1.00 0.00 N ATOM 1321 CA LEU A 94 11.723 3.698 3.257 1.00 0.00 C ATOM 1322 C LEU A 94 11.034 4.556 2.194 1.00 0.00 C ATOM 1323 O LEU A 94 11.402 4.512 1.021 1.00 0.00 O ATOM 1324 CB LEU A 94 11.047 2.345 3.489 1.00 0.00 C ATOM 1325 CG LEU A 94 11.399 1.239 2.492 1.00 0.00 C ATOM 1326 CD1 LEU A 94 10.277 1.046 1.470 1.00 0.00 C ATOM 1327 CD2 LEU A 94 12.746 1.515 1.821 1.00 0.00 C ATOM 0 H LEU A 94 11.288 4.039 5.278 1.00 0.00 H new ATOM 0 HA LEU A 94 12.721 3.468 2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 94 11.305 2.000 4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.967 2.493 3.471 1.00 0.00 H new ATOM 0 HG LEU A 94 11.499 0.302 3.040 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.552 0.254 0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.357 0.771 1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 94 10.121 1.975 0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 94 12.973 0.714 1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 94 12.699 2.464 1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 94 13.527 1.563 2.580 1.00 0.00 H new ATOM 1339 N SER A 95 10.045 5.315 2.642 1.00 0.00 N ATOM 1340 CA SER A 95 9.301 6.182 1.744 1.00 0.00 C ATOM 1341 C SER A 95 10.253 7.155 1.046 1.00 0.00 C ATOM 1342 O SER A 95 9.919 7.717 0.005 1.00 0.00 O ATOM 1343 CB SER A 95 8.213 6.951 2.497 1.00 0.00 C ATOM 1344 OG SER A 95 8.763 7.876 3.431 1.00 0.00 O ATOM 0 H SER A 95 9.741 5.348 3.615 1.00 0.00 H new ATOM 0 HA SER A 95 8.815 5.559 0.993 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.587 7.486 1.783 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.568 6.246 3.022 1.00 0.00 H new ATOM 0 HG SER A 95 8.721 7.495 4.333 1.00 0.00 H new ATOM 1350 N LEU A 96 11.421 7.324 1.649 1.00 0.00 N ATOM 1351 CA LEU A 96 12.424 8.219 1.098 1.00 0.00 C ATOM 1352 C LEU A 96 13.067 7.566 -0.127 1.00 0.00 C ATOM 1353 O LEU A 96 12.567 6.563 -0.634 1.00 0.00 O ATOM 1354 CB LEU A 96 13.431 8.624 2.177 1.00 0.00 C ATOM 1355 CG LEU A 96 12.846 9.297 3.421 1.00 0.00 C ATOM 1356 CD1 LEU A 96 13.703 9.008 4.655 1.00 0.00 C ATOM 1357 CD2 LEU A 96 12.656 10.798 3.193 1.00 0.00 C ATOM 0 H LEU A 96 11.695 6.856 2.513 1.00 0.00 H new ATOM 0 HA LEU A 96 11.962 9.146 0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 96 13.974 7.733 2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 96 14.160 9.301 1.731 1.00 0.00 H new ATOM 0 HG LEU A 96 11.860 8.872 3.608 1.00 0.00 H new ATOM 0 HD11 LEU A 96 13.265 9.498 5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 96 13.743 7.932 4.826 1.00 0.00 H new ATOM 0 HD13 LEU A 96 14.712 9.388 4.494 1.00 0.00 H new ATOM 0 HD21 LEU A 96 12.239 11.253 4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 96 13.619 11.257 2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.974 10.956 2.357 1.00 0.00 H new ATOM 1369 N ALA A 97 14.164 8.163 -0.569 1.00 0.00 N ATOM 1370 CA ALA A 97 14.880 7.652 -1.726 1.00 0.00 C ATOM 1371 C ALA A 97 15.921 6.630 -1.265 1.00 0.00 C ATOM 1372 O ALA A 97 17.110 6.781 -1.544 1.00 0.00 O ATOM 1373 CB ALA A 97 15.506 8.817 -2.494 1.00 0.00 C ATOM 0 H ALA A 97 14.575 8.996 -0.147 1.00 0.00 H new ATOM 0 HA ALA A 97 14.197 7.143 -2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 97 16.043 8.434 -3.362 1.00 0.00 H new ATOM 0 HB2 ALA A 97 14.722 9.498 -2.824 1.00 0.00 H new ATOM 0 HB3 ALA A 97 16.200 9.350 -1.844 1.00 0.00 H new ATOM 1379 N VAL A 98 15.438 5.613 -0.568 1.00 0.00 N ATOM 1380 CA VAL A 98 16.312 4.566 -0.067 1.00 0.00 C ATOM 1381 C VAL A 98 17.322 4.188 -1.152 1.00 0.00 C ATOM 1382 O VAL A 98 16.950 3.981 -2.306 1.00 0.00 O ATOM 1383 CB VAL A 98 15.480 3.376 0.417 1.00 0.00 C ATOM 1384 CG1 VAL A 98 14.252 3.168 -0.472 1.00 0.00 C ATOM 1385 CG2 VAL A 98 16.329 2.106 0.486 1.00 0.00 C ATOM 0 H VAL A 98 14.452 5.491 -0.338 1.00 0.00 H new ATOM 0 HA VAL A 98 16.878 4.921 0.794 1.00 0.00 H new ATOM 0 HB VAL A 98 15.130 3.599 1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.678 2.316 -0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 98 13.630 4.062 -0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 98 14.572 2.977 -1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 98 15.714 1.276 0.833 1.00 0.00 H new ATOM 0 HG22 VAL A 98 16.723 1.877 -0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 98 17.156 2.259 1.179 1.00 0.00 H new ATOM 1395 N PRO A 99 18.613 4.106 -0.732 1.00 0.00 N ATOM 1396 CA PRO A 99 19.679 3.757 -1.655 1.00 0.00 C ATOM 1397 C PRO A 99 19.655 2.262 -1.980 1.00 0.00 C ATOM 1398 O PRO A 99 18.868 1.511 -1.406 1.00 0.00 O ATOM 1399 CB PRO A 99 20.959 4.192 -0.961 1.00 0.00 C ATOM 1400 CG PRO A 99 20.606 4.342 0.510 1.00 0.00 C ATOM 1401 CD PRO A 99 19.090 4.345 0.627 1.00 0.00 C ATOM 0 HA PRO A 99 19.577 4.252 -2.621 1.00 0.00 H new ATOM 0 HB2 PRO A 99 21.749 3.454 -1.100 1.00 0.00 H new ATOM 0 HB3 PRO A 99 21.326 5.132 -1.372 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.032 3.524 1.090 1.00 0.00 H new ATOM 0 HG3 PRO A 99 21.022 5.267 0.910 1.00 0.00 H new ATOM 0 HD2 PRO A 99 18.744 3.569 1.310 1.00 0.00 H new ATOM 0 HD3 PRO A 99 18.725 5.296 1.013 1.00 0.00 H new ATOM 1409 N PRO A 100 20.549 1.864 -2.924 1.00 0.00 N ATOM 1410 CA PRO A 100 20.637 0.472 -3.332 1.00 0.00 C ATOM 1411 C PRO A 100 21.338 -0.369 -2.264 1.00 0.00 C ATOM 1412 O PRO A 100 22.297 0.085 -1.641 1.00 0.00 O ATOM 1413 CB PRO A 100 21.386 0.497 -4.655 1.00 0.00 C ATOM 1414 CG PRO A 100 22.094 1.841 -4.708 1.00 0.00 C ATOM 1415 CD PRO A 100 21.497 2.725 -3.625 1.00 0.00 C ATOM 0 HA PRO A 100 19.659 0.006 -3.452 1.00 0.00 H new ATOM 0 HB2 PRO A 100 22.101 -0.324 -4.715 1.00 0.00 H new ATOM 0 HB3 PRO A 100 20.700 0.384 -5.494 1.00 0.00 H new ATOM 0 HG2 PRO A 100 23.165 1.715 -4.550 1.00 0.00 H new ATOM 0 HG3 PRO A 100 21.968 2.300 -5.688 1.00 0.00 H new ATOM 0 HD2 PRO A 100 22.267 3.098 -2.950 1.00 0.00 H new ATOM 0 HD3 PRO A 100 21.000 3.595 -4.054 1.00 0.00 H new ATOM 1423 N PRO A 101 20.820 -1.613 -2.080 1.00 0.00 N ATOM 1424 CA PRO A 101 21.385 -2.522 -1.097 1.00 0.00 C ATOM 1425 C PRO A 101 22.708 -3.109 -1.592 1.00 0.00 C ATOM 1426 O PRO A 101 23.302 -2.599 -2.540 1.00 0.00 O ATOM 1427 CB PRO A 101 20.314 -3.577 -0.875 1.00 0.00 C ATOM 1428 CG PRO A 101 19.383 -3.485 -2.073 1.00 0.00 C ATOM 1429 CD PRO A 101 19.685 -2.185 -2.799 1.00 0.00 C ATOM 0 HA PRO A 101 21.636 -2.025 -0.160 1.00 0.00 H new ATOM 0 HB2 PRO A 101 20.755 -4.571 -0.799 1.00 0.00 H new ATOM 0 HB3 PRO A 101 19.774 -3.396 0.054 1.00 0.00 H new ATOM 0 HG2 PRO A 101 19.531 -4.336 -2.737 1.00 0.00 H new ATOM 0 HG3 PRO A 101 18.342 -3.509 -1.750 1.00 0.00 H new ATOM 0 HD2 PRO A 101 19.929 -2.364 -3.846 1.00 0.00 H new ATOM 0 HD3 PRO A 101 18.827 -1.513 -2.782 1.00 0.00 H new ATOM 1437 N ARG A 102 23.132 -4.174 -0.927 1.00 0.00 N ATOM 1438 CA ARG A 102 24.374 -4.837 -1.287 1.00 0.00 C ATOM 1439 C ARG A 102 24.087 -6.084 -2.126 1.00 0.00 C ATOM 1440 O ARG A 102 24.896 -6.470 -2.968 1.00 0.00 O ATOM 1441 CB ARG A 102 25.164 -5.240 -0.041 1.00 0.00 C ATOM 1442 CG ARG A 102 26.662 -4.997 -0.239 1.00 0.00 C ATOM 1443 CD ARG A 102 27.236 -4.153 0.901 1.00 0.00 C ATOM 1444 NE ARG A 102 27.905 -2.952 0.354 1.00 0.00 N ATOM 1445 CZ ARG A 102 28.684 -2.122 1.080 1.00 0.00 C ATOM 1446 NH1 ARG A 102 28.899 -2.358 2.392 1.00 0.00 N ATOM 1447 NH2 ARG A 102 29.232 -1.077 0.489 1.00 0.00 N ATOM 0 H ARG A 102 22.637 -4.594 -0.140 1.00 0.00 H new ATOM 0 HA ARG A 102 24.969 -4.133 -1.869 1.00 0.00 H new ATOM 0 HB2 ARG A 102 24.810 -4.670 0.818 1.00 0.00 H new ATOM 0 HB3 ARG A 102 24.989 -6.293 0.180 1.00 0.00 H new ATOM 0 HG2 ARG A 102 27.185 -5.952 -0.289 1.00 0.00 H new ATOM 0 HG3 ARG A 102 26.830 -4.492 -1.190 1.00 0.00 H new ATOM 0 HD2 ARG A 102 26.438 -3.857 1.582 1.00 0.00 H new ATOM 0 HD3 ARG A 102 27.946 -4.743 1.480 1.00 0.00 H new ATOM 0 HE ARG A 102 27.769 -2.738 -0.634 1.00 0.00 H new ATOM 0 HH11 ARG A 102 28.472 -3.168 2.841 1.00 0.00 H new ATOM 0 HH12 ARG A 102 29.489 -1.726 2.934 1.00 0.00 H new ATOM 0 HH21 ARG A 102 29.064 -0.906 -0.502 1.00 0.00 H new ATOM 0 HH22 ARG A 102 29.823 -0.440 1.024 1.00 0.00 H new ATOM 1460 N PHE A 103 22.931 -6.679 -1.867 1.00 0.00 N ATOM 1461 CA PHE A 103 22.527 -7.874 -2.588 1.00 0.00 C ATOM 1462 C PHE A 103 22.927 -7.786 -4.062 1.00 0.00 C ATOM 1463 O PHE A 103 23.189 -6.699 -4.574 1.00 0.00 O ATOM 1464 CB PHE A 103 21.003 -7.962 -2.489 1.00 0.00 C ATOM 1465 CG PHE A 103 20.458 -7.744 -1.076 1.00 0.00 C ATOM 1466 CD1 PHE A 103 20.767 -8.621 -0.084 1.00 0.00 C ATOM 1467 CD2 PHE A 103 19.664 -6.671 -0.813 1.00 0.00 C ATOM 1468 CE1 PHE A 103 20.261 -8.418 1.227 1.00 0.00 C ATOM 1469 CE2 PHE A 103 19.157 -6.468 0.499 1.00 0.00 C ATOM 1470 CZ PHE A 103 19.467 -7.346 1.491 1.00 0.00 C ATOM 0 H PHE A 103 22.262 -6.356 -1.168 1.00 0.00 H new ATOM 0 HA PHE A 103 23.014 -8.750 -2.159 1.00 0.00 H new ATOM 0 HB2 PHE A 103 20.562 -7.221 -3.156 1.00 0.00 H new ATOM 0 HB3 PHE A 103 20.682 -8.941 -2.844 1.00 0.00 H new ATOM 0 HD1 PHE A 103 21.398 -9.472 -0.293 1.00 0.00 H new ATOM 0 HD2 PHE A 103 19.419 -5.974 -1.601 1.00 0.00 H new ATOM 0 HE1 PHE A 103 20.507 -9.115 2.015 1.00 0.00 H new ATOM 0 HE2 PHE A 103 18.526 -5.617 0.709 1.00 0.00 H new ATOM 0 HZ PHE A 103 19.082 -7.192 2.488 1.00 0.00 H new ATOM 1480 N HIS A 104 22.960 -8.945 -4.704 1.00 0.00 N ATOM 1481 CA HIS A 104 23.322 -9.013 -6.109 1.00 0.00 C ATOM 1482 C HIS A 104 22.224 -8.364 -6.954 1.00 0.00 C ATOM 1483 O HIS A 104 21.177 -7.985 -6.433 1.00 0.00 O ATOM 1484 CB HIS A 104 23.616 -10.456 -6.525 1.00 0.00 C ATOM 1485 CG HIS A 104 25.088 -10.789 -6.588 1.00 0.00 C ATOM 1486 ND1 HIS A 104 25.564 -12.088 -6.580 1.00 0.00 N ATOM 1487 CD2 HIS A 104 26.183 -9.979 -6.661 1.00 0.00 C ATOM 1488 CE1 HIS A 104 26.886 -12.050 -6.644 1.00 0.00 C ATOM 1489 NE2 HIS A 104 27.268 -10.742 -6.694 1.00 0.00 N ATOM 0 H HIS A 104 22.742 -9.845 -4.276 1.00 0.00 H new ATOM 0 HA HIS A 104 24.242 -8.453 -6.279 1.00 0.00 H new ATOM 0 HB2 HIS A 104 23.131 -11.132 -5.821 1.00 0.00 H new ATOM 0 HB3 HIS A 104 23.170 -10.640 -7.503 1.00 0.00 H new ATOM 0 HD2 HIS A 104 26.169 -8.899 -6.687 1.00 0.00 H new ATOM 0 HE1 HIS A 104 27.546 -12.905 -6.655 1.00 0.00 H new ATOM 0 HE2 HIS A 104 28.229 -10.406 -6.748 1.00 0.00 H new ATOM 1497 N ASP A 105 22.502 -8.257 -8.245 1.00 0.00 N ATOM 1498 CA ASP A 105 21.550 -7.660 -9.168 1.00 0.00 C ATOM 1499 C ASP A 105 22.052 -7.845 -10.601 1.00 0.00 C ATOM 1500 O ASP A 105 21.434 -7.359 -11.547 1.00 0.00 O ATOM 1501 CB ASP A 105 21.399 -6.160 -8.909 1.00 0.00 C ATOM 1502 CG ASP A 105 19.962 -5.684 -8.687 1.00 0.00 C ATOM 1503 OD1 ASP A 105 19.520 -5.498 -7.543 1.00 0.00 O ATOM 1504 OD2 ASP A 105 19.276 -5.501 -9.764 1.00 0.00 O ATOM 0 H ASP A 105 23.372 -8.573 -8.674 1.00 0.00 H new ATOM 0 HA ASP A 105 20.587 -8.149 -9.023 1.00 0.00 H new ATOM 0 HB2 ASP A 105 21.993 -5.896 -8.034 1.00 0.00 H new ATOM 0 HB3 ASP A 105 21.819 -5.616 -9.755 1.00 0.00 H new TER 1510 ASP A 105