USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 471 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 49 TYR OH : rot 180:sc= 0.0694 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 136:sc= -0.0106 (180deg=-0.525) USER MOD Set 2.1: A 46 LYS NZ :NH3+ 146:sc= -0.386! (180deg=-1.76) USER MOD Set 2.2: A 53 HIS : no HD1:sc= 0.787 K(o=0.4,f=-6) USER MOD Single : A 3 LYS NZ :NH3+ -164:sc=-0.00774 (180deg=-0.27) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -1.73 K(o=-1.7,f=-2.7!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.172! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0477 K(o=-0.048,f=-2!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -54:sc= 0.239 USER MOD Single : A 23 SER OG : rot 118:sc= 0.307 USER MOD Single : A 24 LYS NZ :NH3+ -163:sc= -0.0189 (180deg=-0.328) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -39:sc= 0.31 USER MOD Single : A 32 ASN : amide:sc= -1.44 K(o=-1.4,f=-0.014) USER MOD Single : A 33 THR OG1 : rot 43:sc= 0.0818 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 39:sc= 0.0699 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= -0.37 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -160:sc= 0.261 (180deg=-0.345) USER MOD ----------------------------------------------------------------- ATOM 28 N LYS A 3 7.743 6.239 6.611 1.00 0.00 N ATOM 29 CA LYS A 3 8.291 4.998 5.985 1.00 0.00 C ATOM 30 C LYS A 3 7.738 4.851 4.573 1.00 0.00 C ATOM 31 O LYS A 3 6.699 5.387 4.246 1.00 0.00 O ATOM 32 CB LYS A 3 7.875 3.788 6.819 1.00 0.00 C ATOM 33 CG LYS A 3 8.592 3.829 8.168 1.00 0.00 C ATOM 34 CD LYS A 3 8.171 2.620 9.005 1.00 0.00 C ATOM 35 CE LYS A 3 8.829 2.697 10.384 1.00 0.00 C ATOM 36 NZ LYS A 3 10.303 2.523 10.243 1.00 0.00 N ATOM 0 HA LYS A 3 9.378 5.061 5.943 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.795 3.790 6.969 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.122 2.867 6.291 1.00 0.00 H new ATOM 0 HG2 LYS A 3 9.672 3.823 8.019 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.348 4.752 8.694 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.086 2.597 9.109 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.463 1.698 8.503 1.00 0.00 H new ATOM 0 HE2 LYS A 3 8.609 3.657 10.851 1.00 0.00 H new ATOM 0 HE3 LYS A 3 8.422 1.925 11.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 10.717 2.305 11.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 10.499 1.742 9.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 10.722 3.400 9.875 1.00 0.00 H new ATOM 50 N THR A 4 8.429 4.124 3.731 1.00 0.00 N ATOM 51 CA THR A 4 7.950 3.927 2.330 1.00 0.00 C ATOM 52 C THR A 4 8.069 2.452 1.954 1.00 0.00 C ATOM 53 O THR A 4 8.900 1.729 2.474 1.00 0.00 O ATOM 54 CB THR A 4 8.794 4.770 1.374 1.00 0.00 C ATOM 55 OG1 THR A 4 10.144 4.327 1.411 1.00 0.00 O ATOM 56 CG2 THR A 4 8.722 6.239 1.795 1.00 0.00 C ATOM 0 H THR A 4 9.308 3.657 3.955 1.00 0.00 H new ATOM 0 HA THR A 4 6.908 4.237 2.257 1.00 0.00 H new ATOM 0 HB THR A 4 8.410 4.664 0.359 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.683 4.868 0.796 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.323 6.842 1.115 1.00 0.00 H new ATOM 0 HG22 THR A 4 7.686 6.577 1.761 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.105 6.346 2.810 1.00 0.00 H new ATOM 64 N GLY A 5 7.232 2.003 1.054 1.00 0.00 N ATOM 65 CA GLY A 5 7.260 0.572 0.622 1.00 0.00 C ATOM 66 C GLY A 5 7.160 0.493 -0.902 1.00 0.00 C ATOM 67 O GLY A 5 6.278 1.074 -1.508 1.00 0.00 O ATOM 0 H GLY A 5 6.522 2.573 0.595 1.00 0.00 H new ATOM 0 HA2 GLY A 5 8.181 0.097 0.961 1.00 0.00 H new ATOM 0 HA3 GLY A 5 6.434 0.028 1.079 1.00 0.00 H new ATOM 71 N ILE A 6 8.057 -0.226 -1.520 1.00 0.00 N ATOM 72 CA ILE A 6 8.028 -0.357 -3.002 1.00 0.00 C ATOM 73 C ILE A 6 7.016 -1.433 -3.402 1.00 0.00 C ATOM 74 O ILE A 6 7.083 -2.561 -2.952 1.00 0.00 O ATOM 75 CB ILE A 6 9.426 -0.744 -3.494 1.00 0.00 C ATOM 76 CG1 ILE A 6 10.384 0.437 -3.273 1.00 0.00 C ATOM 77 CG2 ILE A 6 9.378 -1.087 -4.985 1.00 0.00 C ATOM 78 CD1 ILE A 6 10.588 0.698 -1.772 1.00 0.00 C ATOM 0 H ILE A 6 8.813 -0.731 -1.058 1.00 0.00 H new ATOM 0 HA ILE A 6 7.732 0.590 -3.453 1.00 0.00 H new ATOM 0 HB ILE A 6 9.776 -1.614 -2.938 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.344 0.226 -3.744 1.00 0.00 H new ATOM 0 HG13 ILE A 6 9.984 1.331 -3.751 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.376 -1.361 -5.328 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.697 -1.923 -5.144 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.027 -0.221 -5.546 1.00 0.00 H new ATOM 0 HD11 ILE A 6 11.270 1.538 -1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 6 9.629 0.932 -1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 6 11.010 -0.190 -1.302 1.00 0.00 H new ATOM 90 N VAL A 7 6.073 -1.086 -4.239 1.00 0.00 N ATOM 91 CA VAL A 7 5.048 -2.078 -4.669 1.00 0.00 C ATOM 92 C VAL A 7 5.578 -2.888 -5.850 1.00 0.00 C ATOM 93 O VAL A 7 5.837 -2.357 -6.914 1.00 0.00 O ATOM 94 CB VAL A 7 3.777 -1.336 -5.079 1.00 0.00 C ATOM 95 CG1 VAL A 7 2.743 -2.336 -5.593 1.00 0.00 C ATOM 96 CG2 VAL A 7 3.212 -0.604 -3.861 1.00 0.00 C ATOM 0 H VAL A 7 5.970 -0.155 -4.643 1.00 0.00 H new ATOM 0 HA VAL A 7 4.826 -2.757 -3.846 1.00 0.00 H new ATOM 0 HB VAL A 7 4.009 -0.620 -5.867 1.00 0.00 H new ATOM 0 HG11 VAL A 7 1.837 -1.805 -5.885 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.147 -2.866 -6.456 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.506 -3.052 -4.806 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.304 -0.072 -4.145 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.979 -1.326 -3.078 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.949 0.108 -3.490 1.00 0.00 H new ATOM 106 N ASN A 8 5.738 -4.179 -5.670 1.00 0.00 N ATOM 107 CA ASN A 8 6.249 -5.050 -6.774 1.00 0.00 C ATOM 108 C ASN A 8 5.129 -5.959 -7.271 1.00 0.00 C ATOM 109 O ASN A 8 4.742 -6.905 -6.612 1.00 0.00 O ATOM 110 CB ASN A 8 7.404 -5.909 -6.255 1.00 0.00 C ATOM 111 CG ASN A 8 8.646 -5.035 -6.074 1.00 0.00 C ATOM 112 OD1 ASN A 8 8.726 -3.952 -6.620 1.00 0.00 O ATOM 113 ND2 ASN A 8 9.624 -5.463 -5.326 1.00 0.00 N ATOM 0 H ASN A 8 5.534 -4.668 -4.799 1.00 0.00 H new ATOM 0 HA ASN A 8 6.599 -4.423 -7.594 1.00 0.00 H new ATOM 0 HB2 ASN A 8 7.130 -6.372 -5.307 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.614 -6.717 -6.955 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.457 -4.889 -5.198 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.556 -6.372 -4.868 1.00 0.00 H new ATOM 120 N VAL A 9 4.612 -5.687 -8.441 1.00 0.00 N ATOM 121 CA VAL A 9 3.524 -6.539 -9.008 1.00 0.00 C ATOM 122 C VAL A 9 3.761 -6.746 -10.502 1.00 0.00 C ATOM 123 O VAL A 9 4.425 -5.965 -11.154 1.00 0.00 O ATOM 124 CB VAL A 9 2.168 -5.861 -8.796 1.00 0.00 C ATOM 125 CG1 VAL A 9 1.811 -5.904 -7.313 1.00 0.00 C ATOM 126 CG2 VAL A 9 2.239 -4.404 -9.262 1.00 0.00 C ATOM 0 H VAL A 9 4.898 -4.906 -9.032 1.00 0.00 H new ATOM 0 HA VAL A 9 3.526 -7.504 -8.502 1.00 0.00 H new ATOM 0 HB VAL A 9 1.406 -6.385 -9.373 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.846 -5.422 -7.157 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.757 -6.941 -6.982 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.575 -5.380 -6.739 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.272 -3.926 -9.109 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.000 -3.875 -8.688 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.496 -4.373 -10.321 1.00 0.00 H new ATOM 136 N SER A 10 3.215 -7.797 -11.045 1.00 0.00 N ATOM 137 CA SER A 10 3.393 -8.074 -12.496 1.00 0.00 C ATOM 138 C SER A 10 2.547 -7.085 -13.300 1.00 0.00 C ATOM 139 O SER A 10 2.707 -6.944 -14.497 1.00 0.00 O ATOM 140 CB SER A 10 2.931 -9.502 -12.792 1.00 0.00 C ATOM 141 OG SER A 10 1.556 -9.628 -12.455 1.00 0.00 O ATOM 0 H SER A 10 2.649 -8.481 -10.542 1.00 0.00 H new ATOM 0 HA SER A 10 4.442 -7.966 -12.772 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.082 -9.735 -13.846 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.525 -10.215 -12.220 1.00 0.00 H new ATOM 0 HG SER A 10 1.255 -10.541 -12.645 1.00 0.00 H new ATOM 147 N SER A 11 1.644 -6.400 -12.650 1.00 0.00 N ATOM 148 CA SER A 11 0.783 -5.419 -13.372 1.00 0.00 C ATOM 149 C SER A 11 0.325 -4.316 -12.414 1.00 0.00 C ATOM 150 O SER A 11 1.123 -3.572 -11.876 1.00 0.00 O ATOM 151 CB SER A 11 -0.445 -6.134 -13.940 1.00 0.00 C ATOM 152 OG SER A 11 -1.303 -6.507 -12.871 1.00 0.00 O ATOM 0 H SER A 11 1.465 -6.478 -11.649 1.00 0.00 H new ATOM 0 HA SER A 11 1.359 -4.975 -14.184 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.973 -5.480 -14.635 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.139 -7.016 -14.502 1.00 0.00 H new ATOM 0 HG SER A 11 -2.092 -6.964 -13.229 1.00 0.00 H new ATOM 158 N SER A 12 -0.964 -4.192 -12.216 1.00 0.00 N ATOM 159 CA SER A 12 -1.503 -3.127 -11.318 1.00 0.00 C ATOM 160 C SER A 12 -1.873 -3.718 -9.961 1.00 0.00 C ATOM 161 O SER A 12 -2.048 -4.914 -9.816 1.00 0.00 O ATOM 162 CB SER A 12 -2.749 -2.518 -11.960 1.00 0.00 C ATOM 163 OG SER A 12 -2.353 -1.665 -13.023 1.00 0.00 O ATOM 0 H SER A 12 -1.672 -4.790 -12.643 1.00 0.00 H new ATOM 0 HA SER A 12 -0.742 -2.360 -11.174 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.403 -3.306 -12.334 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.318 -1.956 -11.219 1.00 0.00 H new ATOM 0 HG SER A 12 -3.148 -1.272 -13.440 1.00 0.00 H new ATOM 169 N LEU A 13 -1.996 -2.876 -8.963 1.00 0.00 N ATOM 170 CA LEU A 13 -2.358 -3.351 -7.592 1.00 0.00 C ATOM 171 C LEU A 13 -3.654 -2.674 -7.138 1.00 0.00 C ATOM 172 O LEU A 13 -3.824 -1.476 -7.259 1.00 0.00 O ATOM 173 CB LEU A 13 -1.227 -2.995 -6.622 1.00 0.00 C ATOM 174 CG LEU A 13 -1.591 -3.435 -5.196 1.00 0.00 C ATOM 175 CD1 LEU A 13 -1.822 -4.954 -5.152 1.00 0.00 C ATOM 176 CD2 LEU A 13 -0.448 -3.058 -4.249 1.00 0.00 C ATOM 0 H LEU A 13 -1.859 -1.868 -9.042 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.504 -4.431 -7.606 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.303 -3.481 -6.935 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.045 -1.921 -6.643 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.508 -2.934 -4.886 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.079 -5.254 -4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.637 -5.218 -5.826 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.913 -5.469 -5.463 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.699 -3.367 -3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.467 -3.559 -4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.297 -1.979 -4.272 1.00 0.00 H new ATOM 188 N ASN A 14 -4.566 -3.446 -6.606 1.00 0.00 N ATOM 189 CA ASN A 14 -5.860 -2.877 -6.129 1.00 0.00 C ATOM 190 C ASN A 14 -5.728 -2.437 -4.668 1.00 0.00 C ATOM 191 O ASN A 14 -5.281 -3.183 -3.818 1.00 0.00 O ATOM 192 CB ASN A 14 -6.944 -3.950 -6.240 1.00 0.00 C ATOM 193 CG ASN A 14 -7.284 -4.181 -7.714 1.00 0.00 C ATOM 194 OD1 ASN A 14 -6.999 -3.348 -8.552 1.00 0.00 O ATOM 195 ND2 ASN A 14 -7.880 -5.285 -8.067 1.00 0.00 N ATOM 0 H ASN A 14 -4.468 -4.454 -6.481 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.126 -2.013 -6.739 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.599 -4.879 -5.785 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.835 -3.640 -5.694 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.108 -5.451 -9.047 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.119 -5.983 -7.363 1.00 0.00 H new ATOM 202 N VAL A 15 -6.122 -1.226 -4.373 1.00 0.00 N ATOM 203 CA VAL A 15 -6.031 -0.716 -2.973 1.00 0.00 C ATOM 204 C VAL A 15 -7.325 -1.043 -2.234 1.00 0.00 C ATOM 205 O VAL A 15 -8.410 -0.833 -2.740 1.00 0.00 O ATOM 206 CB VAL A 15 -5.826 0.797 -3.005 1.00 0.00 C ATOM 207 CG1 VAL A 15 -5.866 1.354 -1.581 1.00 0.00 C ATOM 208 CG2 VAL A 15 -4.466 1.103 -3.635 1.00 0.00 C ATOM 0 H VAL A 15 -6.506 -0.564 -5.047 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.192 -1.186 -2.460 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.618 1.261 -3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.719 2.434 -1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.833 1.130 -1.130 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.074 0.895 -0.989 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.312 2.182 -3.662 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.678 0.638 -3.043 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.438 0.707 -4.650 1.00 0.00 H new ATOM 218 N ARG A 16 -7.219 -1.577 -1.043 1.00 0.00 N ATOM 219 CA ARG A 16 -8.439 -1.948 -0.266 1.00 0.00 C ATOM 220 C ARG A 16 -8.732 -0.899 0.804 1.00 0.00 C ATOM 221 O ARG A 16 -7.859 -0.463 1.528 1.00 0.00 O ATOM 222 CB ARG A 16 -8.201 -3.300 0.401 1.00 0.00 C ATOM 223 CG ARG A 16 -8.159 -4.391 -0.672 1.00 0.00 C ATOM 224 CD ARG A 16 -7.854 -5.739 -0.020 1.00 0.00 C ATOM 225 NE ARG A 16 -7.828 -6.805 -1.066 1.00 0.00 N ATOM 226 CZ ARG A 16 -6.724 -7.071 -1.714 1.00 0.00 C ATOM 227 NH1 ARG A 16 -5.636 -6.388 -1.477 1.00 0.00 N ATOM 228 NH2 ARG A 16 -6.712 -8.018 -2.612 1.00 0.00 N ATOM 0 H ARG A 16 -6.335 -1.773 -0.574 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.293 -2.002 -0.941 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.264 -3.284 0.957 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -8.994 -3.509 1.119 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.114 -4.437 -1.196 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.398 -4.155 -1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -6.894 -5.697 0.495 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.609 -5.970 0.731 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.677 -7.329 -1.276 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.644 -5.641 -0.782 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.779 -6.602 -1.987 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.562 -8.548 -2.806 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.853 -8.229 -3.120 1.00 0.00 H new ATOM 242 N GLU A 17 -9.969 -0.501 0.904 1.00 0.00 N ATOM 243 CA GLU A 17 -10.365 0.512 1.918 1.00 0.00 C ATOM 244 C GLU A 17 -10.262 -0.097 3.317 1.00 0.00 C ATOM 245 O GLU A 17 -9.793 0.532 4.248 1.00 0.00 O ATOM 246 CB GLU A 17 -11.819 0.924 1.651 1.00 0.00 C ATOM 247 CG GLU A 17 -12.140 2.236 2.370 1.00 0.00 C ATOM 248 CD GLU A 17 -12.153 2.003 3.883 1.00 0.00 C ATOM 249 OE1 GLU A 17 -12.520 0.915 4.292 1.00 0.00 O ATOM 250 OE2 GLU A 17 -11.796 2.919 4.605 1.00 0.00 O ATOM 0 H GLU A 17 -10.732 -0.840 0.318 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.708 1.380 1.855 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.980 1.040 0.579 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.495 0.140 1.992 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.398 2.993 2.115 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.108 2.615 2.042 1.00 0.00 H new ATOM 257 N GLY A 18 -10.718 -1.314 3.475 1.00 0.00 N ATOM 258 CA GLY A 18 -10.678 -1.977 4.816 1.00 0.00 C ATOM 259 C GLY A 18 -9.512 -2.962 4.897 1.00 0.00 C ATOM 260 O GLY A 18 -8.740 -3.116 3.970 1.00 0.00 O ATOM 0 H GLY A 18 -11.119 -1.881 2.728 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.579 -1.223 5.597 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.617 -2.501 4.996 1.00 0.00 H new ATOM 264 N ALA A 19 -9.385 -3.633 6.014 1.00 0.00 N ATOM 265 CA ALA A 19 -8.281 -4.619 6.194 1.00 0.00 C ATOM 266 C ALA A 19 -8.777 -6.015 5.800 1.00 0.00 C ATOM 267 O ALA A 19 -8.037 -6.980 5.829 1.00 0.00 O ATOM 268 CB ALA A 19 -7.861 -4.623 7.667 1.00 0.00 C ATOM 0 H ALA A 19 -10.007 -3.537 6.817 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.432 -4.348 5.566 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.053 -5.340 7.813 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.518 -3.628 7.950 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.712 -4.904 8.287 1.00 0.00 H new ATOM 274 N SER A 20 -10.027 -6.131 5.434 1.00 0.00 N ATOM 275 CA SER A 20 -10.574 -7.464 5.042 1.00 0.00 C ATOM 276 C SER A 20 -10.226 -7.775 3.583 1.00 0.00 C ATOM 277 O SER A 20 -10.087 -6.891 2.761 1.00 0.00 O ATOM 278 CB SER A 20 -12.094 -7.462 5.206 1.00 0.00 C ATOM 279 OG SER A 20 -12.426 -6.990 6.505 1.00 0.00 O ATOM 0 H SER A 20 -10.693 -5.360 5.390 1.00 0.00 H new ATOM 0 HA SER A 20 -10.132 -8.226 5.684 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.552 -6.827 4.448 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.488 -8.468 5.060 1.00 0.00 H new ATOM 0 HG SER A 20 -13.400 -6.986 6.613 1.00 0.00 H new ATOM 285 N THR A 21 -10.091 -9.034 3.261 1.00 0.00 N ATOM 286 CA THR A 21 -9.767 -9.433 1.861 1.00 0.00 C ATOM 287 C THR A 21 -10.924 -9.048 0.939 1.00 0.00 C ATOM 288 O THR A 21 -10.732 -8.511 -0.134 1.00 0.00 O ATOM 289 CB THR A 21 -9.566 -10.948 1.806 1.00 0.00 C ATOM 290 OG1 THR A 21 -8.676 -11.347 2.840 1.00 0.00 O ATOM 291 CG2 THR A 21 -8.989 -11.344 0.449 1.00 0.00 C ATOM 0 H THR A 21 -10.192 -9.810 3.915 1.00 0.00 H new ATOM 0 HA THR A 21 -8.858 -8.925 1.538 1.00 0.00 H new ATOM 0 HB THR A 21 -10.527 -11.444 1.944 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.549 -12.318 2.805 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.848 -12.424 0.415 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.677 -11.043 -0.341 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.030 -10.848 0.303 1.00 0.00 H new ATOM 299 N SER A 22 -12.126 -9.335 1.354 1.00 0.00 N ATOM 300 CA SER A 22 -13.313 -9.006 0.518 1.00 0.00 C ATOM 301 C SER A 22 -13.609 -7.509 0.633 1.00 0.00 C ATOM 302 O SER A 22 -14.725 -7.068 0.437 1.00 0.00 O ATOM 303 CB SER A 22 -14.509 -9.819 1.017 1.00 0.00 C ATOM 304 OG SER A 22 -15.555 -9.766 0.056 1.00 0.00 O ATOM 0 H SER A 22 -12.338 -9.787 2.243 1.00 0.00 H new ATOM 0 HA SER A 22 -13.120 -9.251 -0.526 1.00 0.00 H new ATOM 0 HB2 SER A 22 -14.212 -10.853 1.190 1.00 0.00 H new ATOM 0 HB3 SER A 22 -14.858 -9.424 1.971 1.00 0.00 H new ATOM 0 HG SER A 22 -15.762 -8.831 -0.151 1.00 0.00 H new ATOM 310 N SER A 23 -12.615 -6.728 0.960 1.00 0.00 N ATOM 311 CA SER A 23 -12.824 -5.260 1.104 1.00 0.00 C ATOM 312 C SER A 23 -13.048 -4.618 -0.269 1.00 0.00 C ATOM 313 O SER A 23 -12.575 -5.098 -1.281 1.00 0.00 O ATOM 314 CB SER A 23 -11.597 -4.640 1.771 1.00 0.00 C ATOM 315 OG SER A 23 -11.637 -4.913 3.165 1.00 0.00 O ATOM 0 H SER A 23 -11.662 -7.047 1.134 1.00 0.00 H new ATOM 0 HA SER A 23 -13.706 -5.082 1.719 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.685 -5.048 1.334 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.579 -3.564 1.599 1.00 0.00 H new ATOM 0 HG SER A 23 -10.860 -5.455 3.415 1.00 0.00 H new ATOM 321 N LYS A 24 -13.786 -3.540 -0.303 1.00 0.00 N ATOM 322 CA LYS A 24 -14.075 -2.855 -1.595 1.00 0.00 C ATOM 323 C LYS A 24 -12.840 -2.112 -2.110 1.00 0.00 C ATOM 324 O LYS A 24 -12.140 -1.446 -1.373 1.00 0.00 O ATOM 325 CB LYS A 24 -15.224 -1.867 -1.393 1.00 0.00 C ATOM 326 CG LYS A 24 -15.592 -1.234 -2.736 1.00 0.00 C ATOM 327 CD LYS A 24 -16.819 -0.337 -2.563 1.00 0.00 C ATOM 328 CE LYS A 24 -17.200 0.268 -3.915 1.00 0.00 C ATOM 329 NZ LYS A 24 -16.146 1.232 -4.344 1.00 0.00 N ATOM 0 H LYS A 24 -14.204 -3.102 0.517 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.353 -3.606 -2.335 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -16.089 -2.379 -0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.933 -1.094 -0.682 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.753 -0.651 -3.116 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.799 -2.012 -3.471 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -17.652 -0.915 -2.163 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.606 0.455 -1.845 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.311 -0.520 -4.660 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -18.162 0.774 -3.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.522 1.847 -5.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.856 1.814 -3.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.323 0.709 -4.706 1.00 0.00 H new ATOM 343 N VAL A 25 -12.582 -2.227 -3.385 1.00 0.00 N ATOM 344 CA VAL A 25 -11.407 -1.544 -3.992 1.00 0.00 C ATOM 345 C VAL A 25 -11.780 -0.111 -4.373 1.00 0.00 C ATOM 346 O VAL A 25 -12.792 0.134 -5.000 1.00 0.00 O ATOM 347 CB VAL A 25 -10.976 -2.306 -5.242 1.00 0.00 C ATOM 348 CG1 VAL A 25 -9.854 -1.544 -5.951 1.00 0.00 C ATOM 349 CG2 VAL A 25 -10.476 -3.691 -4.837 1.00 0.00 C ATOM 0 H VAL A 25 -13.144 -2.773 -4.039 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.589 -1.521 -3.272 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.824 -2.404 -5.919 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.549 -2.092 -6.843 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.210 -0.554 -6.237 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.002 -1.442 -5.279 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.167 -4.240 -5.726 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.628 -3.588 -4.160 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.277 -4.234 -4.335 1.00 0.00 H new ATOM 359 N ILE A 26 -10.957 0.836 -3.996 1.00 0.00 N ATOM 360 CA ILE A 26 -11.225 2.269 -4.321 1.00 0.00 C ATOM 361 C ILE A 26 -10.014 2.860 -5.050 1.00 0.00 C ATOM 362 O ILE A 26 -10.152 3.576 -6.023 1.00 0.00 O ATOM 363 CB ILE A 26 -11.474 3.045 -3.018 1.00 0.00 C ATOM 364 CG1 ILE A 26 -10.432 2.645 -1.962 1.00 0.00 C ATOM 365 CG2 ILE A 26 -12.874 2.726 -2.495 1.00 0.00 C ATOM 366 CD1 ILE A 26 -10.647 3.464 -0.688 1.00 0.00 C ATOM 0 H ILE A 26 -10.099 0.673 -3.469 1.00 0.00 H new ATOM 0 HA ILE A 26 -12.103 2.344 -4.962 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.391 4.113 -3.217 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.515 1.581 -1.740 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.426 2.812 -2.348 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.051 3.276 -1.571 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -13.615 3.018 -3.239 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -12.955 1.656 -2.302 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.906 3.177 0.058 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -10.541 4.525 -0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -11.647 3.274 -0.298 1.00 0.00 H new ATOM 378 N GLY A 27 -8.829 2.581 -4.572 1.00 0.00 N ATOM 379 CA GLY A 27 -7.597 3.136 -5.208 1.00 0.00 C ATOM 380 C GLY A 27 -6.922 2.082 -6.084 1.00 0.00 C ATOM 381 O GLY A 27 -7.284 0.920 -6.078 1.00 0.00 O ATOM 0 H GLY A 27 -8.661 1.987 -3.760 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.853 4.007 -5.811 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.904 3.474 -4.437 1.00 0.00 H new ATOM 385 N SER A 28 -5.926 2.484 -6.826 1.00 0.00 N ATOM 386 CA SER A 28 -5.200 1.518 -7.693 1.00 0.00 C ATOM 387 C SER A 28 -3.812 2.068 -8.021 1.00 0.00 C ATOM 388 O SER A 28 -3.583 3.263 -7.997 1.00 0.00 O ATOM 389 CB SER A 28 -5.981 1.301 -8.987 1.00 0.00 C ATOM 390 OG SER A 28 -6.283 2.562 -9.571 1.00 0.00 O ATOM 0 H SER A 28 -5.584 3.444 -6.868 1.00 0.00 H new ATOM 0 HA SER A 28 -5.100 0.568 -7.168 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.397 0.697 -9.681 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.900 0.752 -8.783 1.00 0.00 H new ATOM 0 HG SER A 28 -6.783 2.426 -10.403 1.00 0.00 H new ATOM 396 N LEU A 29 -2.881 1.199 -8.334 1.00 0.00 N ATOM 397 CA LEU A 29 -1.495 1.649 -8.673 1.00 0.00 C ATOM 398 C LEU A 29 -1.012 0.928 -9.930 1.00 0.00 C ATOM 399 O LEU A 29 -1.408 -0.185 -10.218 1.00 0.00 O ATOM 400 CB LEU A 29 -0.559 1.323 -7.507 1.00 0.00 C ATOM 401 CG LEU A 29 -0.986 2.115 -6.265 1.00 0.00 C ATOM 402 CD1 LEU A 29 -0.177 1.634 -5.057 1.00 0.00 C ATOM 403 CD2 LEU A 29 -0.747 3.623 -6.481 1.00 0.00 C ATOM 0 H LEU A 29 -3.024 0.190 -8.369 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.497 2.724 -8.854 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.585 0.254 -7.295 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.469 1.571 -7.773 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.049 1.952 -6.087 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.477 2.194 -4.172 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.362 0.572 -4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.885 1.793 -5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.055 4.171 -5.591 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.312 3.800 -6.668 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.329 3.965 -7.337 1.00 0.00 H new ATOM 415 N SER A 30 -0.158 1.566 -10.683 1.00 0.00 N ATOM 416 CA SER A 30 0.369 0.944 -11.928 1.00 0.00 C ATOM 417 C SER A 30 1.519 0.002 -11.568 1.00 0.00 C ATOM 418 O SER A 30 2.089 -0.654 -12.418 1.00 0.00 O ATOM 419 CB SER A 30 0.874 2.044 -12.859 1.00 0.00 C ATOM 420 OG SER A 30 1.198 1.481 -14.123 1.00 0.00 O ATOM 0 H SER A 30 0.200 2.501 -10.486 1.00 0.00 H new ATOM 0 HA SER A 30 -0.418 0.379 -12.428 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.112 2.815 -12.976 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.751 2.526 -12.428 1.00 0.00 H new ATOM 0 HG SER A 30 1.628 0.610 -13.993 1.00 0.00 H new ATOM 426 N GLY A 31 1.856 -0.077 -10.307 1.00 0.00 N ATOM 427 CA GLY A 31 2.960 -0.988 -9.872 1.00 0.00 C ATOM 428 C GLY A 31 4.273 -0.214 -9.714 1.00 0.00 C ATOM 429 O GLY A 31 4.417 0.903 -10.176 1.00 0.00 O ATOM 0 H GLY A 31 1.413 0.452 -9.556 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.696 -1.462 -8.927 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.089 -1.786 -10.603 1.00 0.00 H new ATOM 433 N ASN A 32 5.229 -0.814 -9.054 1.00 0.00 N ATOM 434 CA ASN A 32 6.550 -0.156 -8.836 1.00 0.00 C ATOM 435 C ASN A 32 6.349 1.232 -8.219 1.00 0.00 C ATOM 436 O ASN A 32 7.288 1.984 -8.042 1.00 0.00 O ATOM 437 CB ASN A 32 7.287 -0.022 -10.173 1.00 0.00 C ATOM 438 CG ASN A 32 7.617 -1.413 -10.727 1.00 0.00 C ATOM 439 OD1 ASN A 32 7.860 -1.564 -11.908 1.00 0.00 O ATOM 440 ND2 ASN A 32 7.632 -2.443 -9.924 1.00 0.00 N ATOM 0 H ASN A 32 5.148 -1.747 -8.651 1.00 0.00 H new ATOM 0 HA ASN A 32 7.143 -0.767 -8.155 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.670 0.526 -10.885 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.204 0.552 -10.037 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.847 -3.371 -10.289 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.428 -2.319 -8.932 1.00 0.00 H new ATOM 447 N THR A 33 5.134 1.580 -7.888 1.00 0.00 N ATOM 448 CA THR A 33 4.878 2.918 -7.285 1.00 0.00 C ATOM 449 C THR A 33 5.251 2.912 -5.801 1.00 0.00 C ATOM 450 O THR A 33 5.029 1.947 -5.091 1.00 0.00 O ATOM 451 CB THR A 33 3.401 3.279 -7.444 1.00 0.00 C ATOM 452 OG1 THR A 33 3.024 3.110 -8.803 1.00 0.00 O ATOM 453 CG2 THR A 33 3.185 4.736 -7.030 1.00 0.00 C ATOM 0 H THR A 33 4.308 0.994 -8.010 1.00 0.00 H new ATOM 0 HA THR A 33 5.491 3.659 -7.798 1.00 0.00 H new ATOM 0 HB THR A 33 2.794 2.631 -6.812 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.415 2.281 -9.150 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.132 4.994 -7.143 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.481 4.866 -5.989 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.788 5.387 -7.663 1.00 0.00 H new ATOM 461 N LYS A 34 5.822 3.991 -5.333 1.00 0.00 N ATOM 462 CA LYS A 34 6.221 4.080 -3.901 1.00 0.00 C ATOM 463 C LYS A 34 5.053 4.624 -3.079 1.00 0.00 C ATOM 464 O LYS A 34 4.432 5.605 -3.445 1.00 0.00 O ATOM 465 CB LYS A 34 7.416 5.025 -3.776 1.00 0.00 C ATOM 466 CG LYS A 34 7.926 5.015 -2.334 1.00 0.00 C ATOM 467 CD LYS A 34 9.217 5.839 -2.233 1.00 0.00 C ATOM 468 CE LYS A 34 8.897 7.338 -2.272 1.00 0.00 C ATOM 469 NZ LYS A 34 10.103 8.110 -1.857 1.00 0.00 N ATOM 0 H LYS A 34 6.030 4.821 -5.888 1.00 0.00 H new ATOM 0 HA LYS A 34 6.492 3.091 -3.531 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.210 4.716 -4.456 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.126 6.036 -4.063 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.168 5.427 -1.668 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.112 3.991 -2.011 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.740 5.596 -1.308 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.886 5.582 -3.054 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.592 7.630 -3.277 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.062 7.561 -1.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.889 9.128 -1.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.374 7.837 -0.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.888 7.905 -2.508 1.00 0.00 H new ATOM 483 N VAL A 35 4.751 3.995 -1.967 1.00 0.00 N ATOM 484 CA VAL A 35 3.619 4.467 -1.104 1.00 0.00 C ATOM 485 C VAL A 35 4.123 4.732 0.314 1.00 0.00 C ATOM 486 O VAL A 35 4.851 3.948 0.892 1.00 0.00 O ATOM 487 CB VAL A 35 2.518 3.406 -1.075 1.00 0.00 C ATOM 488 CG1 VAL A 35 1.806 3.392 -2.428 1.00 0.00 C ATOM 489 CG2 VAL A 35 3.123 2.027 -0.806 1.00 0.00 C ATOM 0 H VAL A 35 5.242 3.172 -1.618 1.00 0.00 H new ATOM 0 HA VAL A 35 3.215 5.392 -1.515 1.00 0.00 H new ATOM 0 HB VAL A 35 1.809 3.642 -0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.019 2.638 -2.417 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.368 4.372 -2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.523 3.156 -3.214 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.330 1.279 -0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.835 1.782 -1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.636 2.036 0.156 1.00 0.00 H new ATOM 499 N THR A 36 3.742 5.852 0.868 1.00 0.00 N ATOM 500 CA THR A 36 4.188 6.211 2.240 1.00 0.00 C ATOM 501 C THR A 36 3.397 5.415 3.275 1.00 0.00 C ATOM 502 O THR A 36 2.184 5.315 3.206 1.00 0.00 O ATOM 503 CB THR A 36 3.963 7.711 2.464 1.00 0.00 C ATOM 504 OG1 THR A 36 2.702 8.080 1.923 1.00 0.00 O ATOM 505 CG2 THR A 36 5.071 8.504 1.770 1.00 0.00 C ATOM 0 H THR A 36 3.134 6.539 0.421 1.00 0.00 H new ATOM 0 HA THR A 36 5.247 5.975 2.348 1.00 0.00 H new ATOM 0 HB THR A 36 3.981 7.929 3.532 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.049 7.373 2.104 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.910 9.570 1.930 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.038 8.217 2.184 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.056 8.291 0.701 1.00 0.00 H new ATOM 513 N ILE A 37 4.088 4.862 4.240 1.00 0.00 N ATOM 514 CA ILE A 37 3.425 4.068 5.314 1.00 0.00 C ATOM 515 C ILE A 37 3.532 4.820 6.639 1.00 0.00 C ATOM 516 O ILE A 37 4.600 5.244 7.045 1.00 0.00 O ATOM 517 CB ILE A 37 4.125 2.712 5.437 1.00 0.00 C ATOM 518 CG1 ILE A 37 3.886 1.907 4.158 1.00 0.00 C ATOM 519 CG2 ILE A 37 3.566 1.948 6.642 1.00 0.00 C ATOM 520 CD1 ILE A 37 4.837 0.712 4.113 1.00 0.00 C ATOM 0 H ILE A 37 5.102 4.930 4.328 1.00 0.00 H new ATOM 0 HA ILE A 37 2.374 3.918 5.068 1.00 0.00 H new ATOM 0 HB ILE A 37 5.195 2.864 5.579 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.853 1.562 4.122 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.041 2.540 3.285 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.067 0.984 6.726 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.737 2.526 7.550 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.496 1.790 6.508 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.662 0.142 3.200 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.868 1.066 4.128 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.660 0.074 4.979 1.00 0.00 H new ATOM 532 N VAL A 38 2.419 4.988 7.310 1.00 0.00 N ATOM 533 CA VAL A 38 2.406 5.708 8.618 1.00 0.00 C ATOM 534 C VAL A 38 2.097 4.708 9.734 1.00 0.00 C ATOM 535 O VAL A 38 2.099 5.048 10.902 1.00 0.00 O ATOM 536 CB VAL A 38 1.329 6.799 8.585 1.00 0.00 C ATOM 537 CG1 VAL A 38 1.720 7.861 7.555 1.00 0.00 C ATOM 538 CG2 VAL A 38 -0.019 6.188 8.192 1.00 0.00 C ATOM 0 H VAL A 38 1.507 4.651 7.001 1.00 0.00 H new ATOM 0 HA VAL A 38 3.377 6.168 8.800 1.00 0.00 H new ATOM 0 HB VAL A 38 1.245 7.252 9.573 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.957 8.639 7.527 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.678 8.301 7.832 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.804 7.400 6.571 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.780 6.968 8.170 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.062 5.733 7.205 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.300 5.427 8.920 1.00 0.00 H new ATOM 548 N GLY A 39 1.838 3.472 9.392 1.00 0.00 N ATOM 549 CA GLY A 39 1.537 2.466 10.450 1.00 0.00 C ATOM 550 C GLY A 39 1.388 1.070 9.841 1.00 0.00 C ATOM 551 O GLY A 39 1.441 0.890 8.639 1.00 0.00 O ATOM 0 H GLY A 39 1.822 3.120 8.435 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.335 2.461 11.192 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.620 2.741 10.970 1.00 0.00 H new ATOM 555 N GLU A 40 1.203 0.078 10.678 1.00 0.00 N ATOM 556 CA GLU A 40 1.048 -1.326 10.185 1.00 0.00 C ATOM 557 C GLU A 40 -0.092 -2.007 10.939 1.00 0.00 C ATOM 558 O GLU A 40 -0.404 -1.661 12.061 1.00 0.00 O ATOM 559 CB GLU A 40 2.351 -2.100 10.422 1.00 0.00 C ATOM 560 CG GLU A 40 2.765 -2.014 11.898 1.00 0.00 C ATOM 561 CD GLU A 40 1.925 -2.982 12.735 1.00 0.00 C ATOM 562 OE1 GLU A 40 1.634 -4.061 12.246 1.00 0.00 O ATOM 563 OE2 GLU A 40 1.592 -2.630 13.855 1.00 0.00 O ATOM 0 H GLU A 40 1.152 0.183 11.691 1.00 0.00 H new ATOM 0 HA GLU A 40 0.823 -1.313 9.119 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.219 -3.143 10.135 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.142 -1.694 9.792 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.823 -2.254 12.002 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.632 -0.995 12.263 1.00 0.00 H new ATOM 570 N GLU A 41 -0.718 -2.982 10.332 1.00 0.00 N ATOM 571 CA GLU A 41 -1.835 -3.690 11.017 1.00 0.00 C ATOM 572 C GLU A 41 -1.990 -5.101 10.444 1.00 0.00 C ATOM 573 O GLU A 41 -2.373 -5.289 9.306 1.00 0.00 O ATOM 574 CB GLU A 41 -3.137 -2.904 10.818 1.00 0.00 C ATOM 575 CG GLU A 41 -4.207 -3.402 11.797 1.00 0.00 C ATOM 576 CD GLU A 41 -4.681 -4.794 11.373 1.00 0.00 C ATOM 577 OE1 GLU A 41 -4.733 -5.043 10.180 1.00 0.00 O ATOM 578 OE2 GLU A 41 -4.980 -5.590 12.250 1.00 0.00 O ATOM 0 H GLU A 41 -0.503 -3.317 9.393 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.614 -3.763 12.082 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.957 -1.840 10.974 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.488 -3.020 9.793 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.801 -3.437 12.808 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.049 -2.710 11.815 1.00 0.00 H new ATOM 585 N GLY A 42 -1.712 -6.093 11.247 1.00 0.00 N ATOM 586 CA GLY A 42 -1.856 -7.511 10.803 1.00 0.00 C ATOM 587 C GLY A 42 -1.006 -7.790 9.562 1.00 0.00 C ATOM 588 O GLY A 42 0.134 -7.383 9.462 1.00 0.00 O ATOM 0 H GLY A 42 -1.386 -5.979 12.207 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.557 -8.180 11.610 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.903 -7.722 10.585 1.00 0.00 H new ATOM 592 N ALA A 43 -1.563 -8.509 8.620 1.00 0.00 N ATOM 593 CA ALA A 43 -0.814 -8.850 7.380 1.00 0.00 C ATOM 594 C ALA A 43 -1.072 -7.774 6.330 1.00 0.00 C ATOM 595 O ALA A 43 -0.955 -8.011 5.142 1.00 0.00 O ATOM 596 CB ALA A 43 -1.304 -10.203 6.856 1.00 0.00 C ATOM 0 H ALA A 43 -2.514 -8.876 8.661 1.00 0.00 H new ATOM 0 HA ALA A 43 0.254 -8.905 7.592 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.760 -10.460 5.947 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.132 -10.970 7.611 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.370 -10.144 6.636 1.00 0.00 H new ATOM 602 N PHE A 44 -1.425 -6.587 6.762 1.00 0.00 N ATOM 603 CA PHE A 44 -1.693 -5.477 5.798 1.00 0.00 C ATOM 604 C PHE A 44 -0.980 -4.211 6.265 1.00 0.00 C ATOM 605 O PHE A 44 -0.830 -3.967 7.448 1.00 0.00 O ATOM 606 CB PHE A 44 -3.197 -5.210 5.728 1.00 0.00 C ATOM 607 CG PHE A 44 -3.904 -6.424 5.177 1.00 0.00 C ATOM 608 CD1 PHE A 44 -4.345 -7.429 6.044 1.00 0.00 C ATOM 609 CD2 PHE A 44 -4.117 -6.546 3.798 1.00 0.00 C ATOM 610 CE1 PHE A 44 -5.000 -8.556 5.534 1.00 0.00 C ATOM 611 CE2 PHE A 44 -4.772 -7.671 3.288 1.00 0.00 C ATOM 612 CZ PHE A 44 -5.214 -8.677 4.156 1.00 0.00 C ATOM 0 H PHE A 44 -1.539 -6.340 7.745 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.326 -5.762 4.812 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.581 -4.973 6.720 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.393 -4.344 5.095 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.180 -7.335 7.107 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.775 -5.771 3.128 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.340 -9.332 6.204 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.937 -7.764 2.225 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.720 -9.546 3.762 1.00 0.00 H new ATOM 622 N TYR A 45 -0.546 -3.395 5.336 1.00 0.00 N ATOM 623 CA TYR A 45 0.160 -2.126 5.694 1.00 0.00 C ATOM 624 C TYR A 45 -0.761 -0.935 5.446 1.00 0.00 C ATOM 625 O TYR A 45 -1.583 -0.941 4.547 1.00 0.00 O ATOM 626 CB TYR A 45 1.426 -1.978 4.832 1.00 0.00 C ATOM 627 CG TYR A 45 2.557 -2.774 5.442 1.00 0.00 C ATOM 628 CD1 TYR A 45 3.057 -2.412 6.699 1.00 0.00 C ATOM 629 CD2 TYR A 45 3.109 -3.862 4.757 1.00 0.00 C ATOM 630 CE1 TYR A 45 4.104 -3.138 7.271 1.00 0.00 C ATOM 631 CE2 TYR A 45 4.159 -4.588 5.330 1.00 0.00 C ATOM 632 CZ TYR A 45 4.655 -4.226 6.588 1.00 0.00 C ATOM 633 OH TYR A 45 5.688 -4.943 7.154 1.00 0.00 O ATOM 0 H TYR A 45 -0.652 -3.556 4.334 1.00 0.00 H new ATOM 0 HA TYR A 45 0.437 -2.157 6.748 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.229 -2.326 3.818 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.707 -0.927 4.759 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.633 -1.571 7.227 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.725 -4.141 3.787 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.488 -2.859 8.241 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.587 -5.427 4.802 1.00 0.00 H new ATOM 0 HH TYR A 45 5.954 -5.667 6.549 1.00 0.00 H new ATOM 643 N LYS A 46 -0.617 0.092 6.241 1.00 0.00 N ATOM 644 CA LYS A 46 -1.464 1.303 6.075 1.00 0.00 C ATOM 645 C LYS A 46 -0.708 2.325 5.230 1.00 0.00 C ATOM 646 O LYS A 46 0.404 2.704 5.546 1.00 0.00 O ATOM 647 CB LYS A 46 -1.761 1.900 7.451 1.00 0.00 C ATOM 648 CG LYS A 46 -2.674 3.117 7.292 1.00 0.00 C ATOM 649 CD LYS A 46 -3.064 3.650 8.672 1.00 0.00 C ATOM 650 CE LYS A 46 -4.001 4.849 8.506 1.00 0.00 C ATOM 651 NZ LYS A 46 -3.293 5.939 7.779 1.00 0.00 N ATOM 0 H LYS A 46 0.058 0.141 7.004 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.400 1.039 5.583 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.238 1.155 8.087 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.832 2.190 7.942 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.165 3.894 6.721 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.568 2.843 6.731 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.555 2.868 9.251 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.173 3.945 9.226 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.894 4.552 7.956 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.331 5.204 9.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.970 6.453 7.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.869 6.596 8.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.545 5.530 7.184 1.00 0.00 H new ATOM 665 N ILE A 47 -1.306 2.773 4.153 1.00 0.00 N ATOM 666 CA ILE A 47 -0.635 3.774 3.267 1.00 0.00 C ATOM 667 C ILE A 47 -1.587 4.922 2.954 1.00 0.00 C ATOM 668 O ILE A 47 -2.794 4.778 2.981 1.00 0.00 O ATOM 669 CB ILE A 47 -0.204 3.099 1.965 1.00 0.00 C ATOM 670 CG1 ILE A 47 -1.356 2.260 1.406 1.00 0.00 C ATOM 671 CG2 ILE A 47 1.000 2.202 2.238 1.00 0.00 C ATOM 672 CD1 ILE A 47 -1.001 1.785 -0.005 1.00 0.00 C ATOM 0 H ILE A 47 -2.236 2.486 3.848 1.00 0.00 H new ATOM 0 HA ILE A 47 0.241 4.170 3.781 1.00 0.00 H new ATOM 0 HB ILE A 47 0.066 3.861 1.234 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.544 1.403 2.053 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.272 2.850 1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.311 1.718 1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.821 2.804 2.627 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.729 1.442 2.971 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.820 1.187 -0.405 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.834 2.649 -0.649 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.095 1.180 0.032 1.00 0.00 H new ATOM 684 N GLU A 48 -1.039 6.071 2.658 1.00 0.00 N ATOM 685 CA GLU A 48 -1.890 7.254 2.338 1.00 0.00 C ATOM 686 C GLU A 48 -2.154 7.315 0.835 1.00 0.00 C ATOM 687 O GLU A 48 -1.288 7.664 0.056 1.00 0.00 O ATOM 688 CB GLU A 48 -1.171 8.526 2.789 1.00 0.00 C ATOM 689 CG GLU A 48 -1.146 8.569 4.318 1.00 0.00 C ATOM 690 CD GLU A 48 -0.378 9.805 4.790 1.00 0.00 C ATOM 691 OE1 GLU A 48 0.128 10.523 3.944 1.00 0.00 O ATOM 692 OE2 GLU A 48 -0.309 10.009 5.990 1.00 0.00 O ATOM 0 H GLU A 48 -0.034 6.241 2.624 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.843 7.167 2.860 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.155 8.544 2.395 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.680 9.406 2.396 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.164 8.592 4.707 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.676 7.666 4.709 1.00 0.00 H new ATOM 699 N TYR A 49 -3.356 6.985 0.428 1.00 0.00 N ATOM 700 CA TYR A 49 -3.713 7.026 -1.022 1.00 0.00 C ATOM 701 C TYR A 49 -4.737 8.138 -1.256 1.00 0.00 C ATOM 702 O TYR A 49 -5.849 8.090 -0.772 1.00 0.00 O ATOM 703 CB TYR A 49 -4.310 5.676 -1.432 1.00 0.00 C ATOM 704 CG TYR A 49 -4.687 5.717 -2.893 1.00 0.00 C ATOM 705 CD1 TYR A 49 -3.707 5.525 -3.875 1.00 0.00 C ATOM 706 CD2 TYR A 49 -6.015 5.952 -3.265 1.00 0.00 C ATOM 707 CE1 TYR A 49 -4.058 5.569 -5.230 1.00 0.00 C ATOM 708 CE2 TYR A 49 -6.366 5.995 -4.620 1.00 0.00 C ATOM 709 CZ TYR A 49 -5.387 5.803 -5.603 1.00 0.00 C ATOM 710 OH TYR A 49 -5.733 5.847 -6.937 1.00 0.00 O ATOM 0 H TYR A 49 -4.111 6.686 1.046 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.823 7.223 -1.619 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.589 4.878 -1.253 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -5.188 5.455 -0.825 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.682 5.343 -3.588 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.770 6.100 -2.507 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.303 5.422 -5.988 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.391 6.176 -4.907 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.694 6.018 -7.020 1.00 0.00 H new ATOM 720 N LYS A 50 -4.356 9.136 -2.006 1.00 0.00 N ATOM 721 CA LYS A 50 -5.275 10.274 -2.304 1.00 0.00 C ATOM 722 C LYS A 50 -5.850 10.845 -1.002 1.00 0.00 C ATOM 723 O LYS A 50 -6.949 11.364 -0.971 1.00 0.00 O ATOM 724 CB LYS A 50 -6.411 9.792 -3.213 1.00 0.00 C ATOM 725 CG LYS A 50 -5.833 9.189 -4.504 1.00 0.00 C ATOM 726 CD LYS A 50 -5.391 10.303 -5.464 1.00 0.00 C ATOM 727 CE LYS A 50 -4.921 9.683 -6.781 1.00 0.00 C ATOM 728 NZ LYS A 50 -6.083 9.074 -7.484 1.00 0.00 N ATOM 0 H LYS A 50 -3.432 9.213 -2.432 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.717 11.060 -2.812 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.013 9.048 -2.692 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.072 10.624 -3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.984 8.548 -4.265 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.582 8.560 -4.986 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.218 10.989 -5.647 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.586 10.886 -5.016 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.460 10.445 -7.410 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.161 8.926 -6.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.046 9.321 -8.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.049 8.040 -7.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.967 9.435 -7.071 1.00 0.00 H new ATOM 742 N GLY A 51 -5.101 10.779 0.065 1.00 0.00 N ATOM 743 CA GLY A 51 -5.584 11.340 1.363 1.00 0.00 C ATOM 744 C GLY A 51 -6.427 10.298 2.095 1.00 0.00 C ATOM 745 O GLY A 51 -6.762 10.459 3.252 1.00 0.00 O ATOM 0 H GLY A 51 -4.172 10.360 0.095 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.736 11.634 1.981 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.175 12.239 1.184 1.00 0.00 H new ATOM 749 N SER A 52 -6.781 9.231 1.429 1.00 0.00 N ATOM 750 CA SER A 52 -7.614 8.177 2.082 1.00 0.00 C ATOM 751 C SER A 52 -6.717 7.132 2.748 1.00 0.00 C ATOM 752 O SER A 52 -5.515 7.113 2.559 1.00 0.00 O ATOM 753 CB SER A 52 -8.482 7.495 1.026 1.00 0.00 C ATOM 754 OG SER A 52 -9.209 6.435 1.632 1.00 0.00 O ATOM 0 H SER A 52 -6.529 9.043 0.459 1.00 0.00 H new ATOM 0 HA SER A 52 -8.244 8.641 2.841 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.169 8.216 0.582 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.859 7.110 0.219 1.00 0.00 H new ATOM 0 HG SER A 52 -9.769 5.995 0.958 1.00 0.00 H new ATOM 760 N HIS A 53 -7.300 6.256 3.530 1.00 0.00 N ATOM 761 CA HIS A 53 -6.501 5.200 4.222 1.00 0.00 C ATOM 762 C HIS A 53 -6.632 3.884 3.453 1.00 0.00 C ATOM 763 O HIS A 53 -7.554 3.117 3.658 1.00 0.00 O ATOM 764 CB HIS A 53 -7.035 5.021 5.645 1.00 0.00 C ATOM 765 CG HIS A 53 -7.037 6.351 6.349 1.00 0.00 C ATOM 766 ND1 HIS A 53 -5.865 7.003 6.702 1.00 0.00 N ATOM 767 CD2 HIS A 53 -8.060 7.162 6.779 1.00 0.00 C ATOM 768 CE1 HIS A 53 -6.208 8.152 7.314 1.00 0.00 C ATOM 769 NE2 HIS A 53 -7.534 8.297 7.387 1.00 0.00 N ATOM 0 H HIS A 53 -8.302 6.228 3.719 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.452 5.493 4.261 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -8.044 4.610 5.618 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.416 4.309 6.191 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -9.113 6.950 6.662 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -5.498 8.869 7.699 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -8.050 9.074 7.800 1.00 0.00 H new ATOM 777 N GLY A 54 -5.712 3.625 2.559 1.00 0.00 N ATOM 778 CA GLY A 54 -5.763 2.368 1.755 1.00 0.00 C ATOM 779 C GLY A 54 -4.890 1.301 2.412 1.00 0.00 C ATOM 780 O GLY A 54 -3.781 1.565 2.834 1.00 0.00 O ATOM 0 H GLY A 54 -4.922 4.236 2.351 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.791 2.015 1.680 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.417 2.560 0.739 1.00 0.00 H new ATOM 784 N TYR A 55 -5.387 0.091 2.492 1.00 0.00 N ATOM 785 CA TYR A 55 -4.606 -1.024 3.111 1.00 0.00 C ATOM 786 C TYR A 55 -4.243 -2.050 2.040 1.00 0.00 C ATOM 787 O TYR A 55 -5.043 -2.382 1.187 1.00 0.00 O ATOM 788 CB TYR A 55 -5.458 -1.693 4.189 1.00 0.00 C ATOM 789 CG TYR A 55 -5.689 -0.716 5.316 1.00 0.00 C ATOM 790 CD1 TYR A 55 -6.757 0.188 5.253 1.00 0.00 C ATOM 791 CD2 TYR A 55 -4.835 -0.714 6.424 1.00 0.00 C ATOM 792 CE1 TYR A 55 -6.968 1.094 6.299 1.00 0.00 C ATOM 793 CE2 TYR A 55 -5.045 0.192 7.469 1.00 0.00 C ATOM 794 CZ TYR A 55 -6.113 1.095 7.408 1.00 0.00 C ATOM 795 OH TYR A 55 -6.321 1.988 8.439 1.00 0.00 O ATOM 0 H TYR A 55 -6.311 -0.174 2.151 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.693 -0.629 3.556 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.411 -2.014 3.769 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.957 -2.586 4.563 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.417 0.186 4.398 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.013 -1.413 6.473 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.790 1.792 6.251 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.383 0.195 8.323 1.00 0.00 H new ATOM 0 HH TYR A 55 -5.639 1.854 9.130 1.00 0.00 H new ATOM 805 N VAL A 56 -3.034 -2.555 2.080 1.00 0.00 N ATOM 806 CA VAL A 56 -2.597 -3.570 1.071 1.00 0.00 C ATOM 807 C VAL A 56 -1.843 -4.705 1.764 1.00 0.00 C ATOM 808 O VAL A 56 -1.299 -4.543 2.837 1.00 0.00 O ATOM 809 CB VAL A 56 -1.683 -2.895 0.040 1.00 0.00 C ATOM 810 CG1 VAL A 56 -2.537 -2.162 -0.997 1.00 0.00 C ATOM 811 CG2 VAL A 56 -0.777 -1.886 0.751 1.00 0.00 C ATOM 0 H VAL A 56 -2.327 -2.306 2.772 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.473 -3.983 0.570 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.074 -3.651 -0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.888 -1.682 -1.730 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.189 -2.875 -1.502 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.144 -1.405 -0.499 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.126 -1.404 0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.390 -1.132 1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.169 -2.403 1.494 1.00 0.00 H new ATOM 821 N ALA A 57 -1.821 -5.854 1.146 1.00 0.00 N ATOM 822 CA ALA A 57 -1.126 -7.032 1.739 1.00 0.00 C ATOM 823 C ALA A 57 0.391 -6.825 1.737 1.00 0.00 C ATOM 824 O ALA A 57 0.940 -6.123 0.910 1.00 0.00 O ATOM 825 CB ALA A 57 -1.479 -8.286 0.929 1.00 0.00 C ATOM 0 H ALA A 57 -2.261 -6.029 0.243 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.454 -7.152 2.772 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.973 -9.151 1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.557 -8.445 0.956 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.158 -8.154 -0.104 1.00 0.00 H new ATOM 831 N LYS A 58 1.065 -7.440 2.671 1.00 0.00 N ATOM 832 CA LYS A 58 2.546 -7.304 2.755 1.00 0.00 C ATOM 833 C LYS A 58 3.186 -7.893 1.493 1.00 0.00 C ATOM 834 O LYS A 58 4.157 -7.375 0.977 1.00 0.00 O ATOM 835 CB LYS A 58 3.049 -8.074 3.977 1.00 0.00 C ATOM 836 CG LYS A 58 2.383 -7.526 5.240 1.00 0.00 C ATOM 837 CD LYS A 58 3.137 -8.020 6.478 1.00 0.00 C ATOM 838 CE LYS A 58 3.030 -9.543 6.576 1.00 0.00 C ATOM 839 NZ LYS A 58 3.437 -9.981 7.942 1.00 0.00 N ATOM 0 H LYS A 58 0.648 -8.036 3.386 1.00 0.00 H new ATOM 0 HA LYS A 58 2.813 -6.251 2.842 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.826 -9.135 3.868 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.132 -7.983 4.056 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.378 -6.436 5.216 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.343 -7.849 5.283 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.184 -7.723 6.420 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.724 -7.559 7.375 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.008 -9.861 6.370 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.667 -10.012 5.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.365 -11.016 8.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.419 -9.690 8.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.811 -9.543 8.648 1.00 0.00 H new ATOM 853 N GLU A 59 2.656 -8.982 1.005 1.00 0.00 N ATOM 854 CA GLU A 59 3.230 -9.625 -0.214 1.00 0.00 C ATOM 855 C GLU A 59 3.422 -8.585 -1.320 1.00 0.00 C ATOM 856 O GLU A 59 4.002 -8.869 -2.351 1.00 0.00 O ATOM 857 CB GLU A 59 2.277 -10.719 -0.702 1.00 0.00 C ATOM 858 CG GLU A 59 2.265 -11.869 0.307 1.00 0.00 C ATOM 859 CD GLU A 59 1.261 -12.936 -0.139 1.00 0.00 C ATOM 860 OE1 GLU A 59 0.684 -12.771 -1.202 1.00 0.00 O ATOM 861 OE2 GLU A 59 1.089 -13.899 0.588 1.00 0.00 O ATOM 0 H GLU A 59 1.845 -9.457 1.400 1.00 0.00 H new ATOM 0 HA GLU A 59 4.199 -10.060 0.033 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.272 -10.315 -0.821 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.593 -11.082 -1.680 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.261 -12.304 0.389 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.998 -11.495 1.296 1.00 0.00 H new ATOM 868 N TYR A 60 2.943 -7.383 -1.118 1.00 0.00 N ATOM 869 CA TYR A 60 3.097 -6.319 -2.155 1.00 0.00 C ATOM 870 C TYR A 60 4.173 -5.330 -1.706 1.00 0.00 C ATOM 871 O TYR A 60 4.793 -4.663 -2.516 1.00 0.00 O ATOM 872 CB TYR A 60 1.764 -5.579 -2.311 1.00 0.00 C ATOM 873 CG TYR A 60 0.698 -6.546 -2.783 1.00 0.00 C ATOM 874 CD1 TYR A 60 0.828 -7.175 -4.026 1.00 0.00 C ATOM 875 CD2 TYR A 60 -0.418 -6.816 -1.978 1.00 0.00 C ATOM 876 CE1 TYR A 60 -0.152 -8.071 -4.466 1.00 0.00 C ATOM 877 CE2 TYR A 60 -1.399 -7.712 -2.419 1.00 0.00 C ATOM 878 CZ TYR A 60 -1.265 -8.340 -3.663 1.00 0.00 C ATOM 879 OH TYR A 60 -2.230 -9.225 -4.098 1.00 0.00 O ATOM 0 H TYR A 60 2.449 -7.092 -0.274 1.00 0.00 H new ATOM 0 HA TYR A 60 3.386 -6.767 -3.106 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.470 -5.134 -1.360 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.871 -4.763 -3.026 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.687 -6.968 -4.647 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.521 -6.333 -1.018 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.049 -8.555 -5.426 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.259 -7.919 -1.800 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.935 -9.300 -3.421 1.00 0.00 H new ATOM 889 N ILE A 61 4.399 -5.225 -0.423 1.00 0.00 N ATOM 890 CA ILE A 61 5.428 -4.271 0.088 1.00 0.00 C ATOM 891 C ILE A 61 6.790 -4.963 0.153 1.00 0.00 C ATOM 892 O ILE A 61 6.937 -6.028 0.721 1.00 0.00 O ATOM 893 CB ILE A 61 5.022 -3.777 1.487 1.00 0.00 C ATOM 894 CG1 ILE A 61 3.894 -2.746 1.357 1.00 0.00 C ATOM 895 CG2 ILE A 61 6.225 -3.121 2.187 1.00 0.00 C ATOM 896 CD1 ILE A 61 2.741 -3.329 0.537 1.00 0.00 C ATOM 0 H ILE A 61 3.913 -5.761 0.296 1.00 0.00 H new ATOM 0 HA ILE A 61 5.497 -3.418 -0.587 1.00 0.00 H new ATOM 0 HB ILE A 61 4.682 -4.628 2.077 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.538 -2.458 2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.270 -1.842 0.878 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.926 -2.775 3.176 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.030 -3.849 2.285 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.572 -2.274 1.596 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.945 -2.589 0.451 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.100 -3.594 -0.458 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.356 -4.220 1.033 1.00 0.00 H new ATOM 908 N LYS A 62 7.793 -4.346 -0.413 1.00 0.00 N ATOM 909 CA LYS A 62 9.160 -4.939 -0.383 1.00 0.00 C ATOM 910 C LYS A 62 10.208 -3.826 -0.306 1.00 0.00 C ATOM 911 O LYS A 62 9.988 -2.717 -0.753 1.00 0.00 O ATOM 912 CB LYS A 62 9.382 -5.770 -1.645 1.00 0.00 C ATOM 913 CG LYS A 62 10.771 -6.407 -1.600 1.00 0.00 C ATOM 914 CD LYS A 62 10.946 -7.336 -2.802 1.00 0.00 C ATOM 915 CE LYS A 62 12.323 -8.000 -2.743 1.00 0.00 C ATOM 916 NZ LYS A 62 13.380 -6.974 -2.971 1.00 0.00 N ATOM 0 H LYS A 62 7.723 -3.451 -0.898 1.00 0.00 H new ATOM 0 HA LYS A 62 9.256 -5.579 0.494 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.618 -6.544 -1.723 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.288 -5.140 -2.529 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.538 -5.633 -1.611 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.896 -6.967 -0.673 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.165 -8.096 -2.803 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.843 -6.771 -3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.467 -8.477 -1.774 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.393 -8.784 -3.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.260 -7.442 -3.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.071 -6.317 -3.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.547 -6.446 -2.091 1.00 0.00 H new ATOM 930 N ASP A 63 11.345 -4.132 0.266 1.00 0.00 N ATOM 931 CA ASP A 63 12.440 -3.127 0.396 1.00 0.00 C ATOM 932 C ASP A 63 11.932 -1.903 1.160 1.00 0.00 C ATOM 933 O ASP A 63 11.984 -0.787 0.679 1.00 0.00 O ATOM 934 CB ASP A 63 12.952 -2.715 -0.990 1.00 0.00 C ATOM 935 CG ASP A 63 13.727 -3.882 -1.608 1.00 0.00 C ATOM 936 OD1 ASP A 63 14.036 -4.811 -0.880 1.00 0.00 O ATOM 937 OD2 ASP A 63 13.997 -3.827 -2.796 1.00 0.00 O ATOM 0 H ASP A 63 11.563 -5.050 0.654 1.00 0.00 H new ATOM 0 HA ASP A 63 13.266 -3.573 0.950 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.116 -2.438 -1.632 1.00 0.00 H new ATOM 0 HB3 ASP A 63 13.595 -1.839 -0.908 1.00 0.00 H new ATOM 942 N ILE A 64 11.443 -2.107 2.354 1.00 0.00 N ATOM 943 CA ILE A 64 10.931 -0.965 3.160 1.00 0.00 C ATOM 944 C ILE A 64 12.102 -0.099 3.620 1.00 0.00 C ATOM 945 O ILE A 64 13.092 -0.590 4.128 1.00 0.00 O ATOM 946 CB ILE A 64 10.170 -1.498 4.377 1.00 0.00 C ATOM 947 CG1 ILE A 64 8.910 -2.224 3.899 1.00 0.00 C ATOM 948 CG2 ILE A 64 9.777 -0.333 5.291 1.00 0.00 C ATOM 949 CD1 ILE A 64 8.288 -3.002 5.059 1.00 0.00 C ATOM 0 H ILE A 64 11.377 -3.019 2.806 1.00 0.00 H new ATOM 0 HA ILE A 64 10.257 -0.363 2.551 1.00 0.00 H new ATOM 0 HB ILE A 64 10.804 -2.189 4.933 1.00 0.00 H new ATOM 0 HG12 ILE A 64 8.192 -1.504 3.505 1.00 0.00 H new ATOM 0 HG13 ILE A 64 9.158 -2.905 3.085 1.00 0.00 H new ATOM 0 HG21 ILE A 64 9.236 -0.716 6.156 1.00 0.00 H new ATOM 0 HG22 ILE A 64 10.675 0.186 5.626 1.00 0.00 H new ATOM 0 HG23 ILE A 64 9.140 0.361 4.742 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.392 -3.517 4.713 1.00 0.00 H new ATOM 0 HD12 ILE A 64 9.005 -3.733 5.433 1.00 0.00 H new ATOM 0 HD13 ILE A 64 8.023 -2.312 5.860 1.00 0.00 H new