USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 742 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 84 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 95 SER OG : rot -139:sc= -0.561 USER MOD Set 2.1: A 60 ASN :FLIP amide:sc= -0.181 F(o=-1.7,f=-0.52) USER MOD Set 2.2: A 72 THR OG1 : rot 180:sc= -0.336 USER MOD Set 3.1: A 37 SER OG : rot 123:sc= 0.231 USER MOD Set 3.2: A 69 HIS :FLIP no HE2:sc= -1.97 F(o=-2.8!,f=-0.76) USER MOD Set 3.3: A 87 TYR OH : rot -94:sc= 0.978 USER MOD Set 4.1: A 64 ASN :FLIP amide:sc= -0.0136 F(o=-0.77,f=-0.023) USER MOD Set 4.2: A 68 THR OG1 : rot 180:sc=-0.00972 USER MOD Set 4.3: A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -50:sc= 0.37 USER MOD Single : A 31 GLN : amide:sc= -3.1! X(o=-3.1!,f=-3.3) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0619 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 178:sc= 0.572 USER MOD Single : A 74 THR OG1 : rot 180:sc=-0.00655 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.989 USER MOD Single : A 82 MET CE :methyl -153:sc= 0 (180deg=-0.11) USER MOD Single : A 86 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0171) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 161:sc= -0.0478 (180deg=-0.316) USER MOD Single : A 104 THR OG1 : rot -15:sc= -0.408 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 82 N VAL A 9 1.778 20.381 4.904 1.00 0.00 N ATOM 83 CA VAL A 9 1.661 18.969 4.561 1.00 0.00 C ATOM 84 C VAL A 9 0.294 18.420 4.956 1.00 0.00 C ATOM 85 O VAL A 9 -0.160 18.608 6.084 1.00 0.00 O ATOM 86 CB VAL A 9 2.755 18.131 5.248 1.00 0.00 C ATOM 87 CG1 VAL A 9 2.455 16.646 5.115 1.00 0.00 C ATOM 88 CG2 VAL A 9 4.121 18.461 4.664 1.00 0.00 C ATOM 0 HA VAL A 9 1.782 18.895 3.480 1.00 0.00 H new ATOM 0 HB VAL A 9 2.767 18.380 6.309 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.240 16.071 5.607 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.496 16.425 5.583 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.415 16.376 4.060 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.884 17.860 5.160 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.123 18.241 3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.336 19.519 4.817 1.00 0.00 H new ATOM 98 N ASP A 10 -0.356 17.738 4.018 1.00 0.00 N ATOM 99 CA ASP A 10 -1.672 17.159 4.268 1.00 0.00 C ATOM 100 C ASP A 10 -1.694 15.680 3.894 1.00 0.00 C ATOM 101 O ASP A 10 -1.874 15.311 2.733 1.00 0.00 O ATOM 102 CB ASP A 10 -2.743 17.914 3.479 1.00 0.00 C ATOM 103 CG ASP A 10 -4.104 17.846 4.142 1.00 0.00 C ATOM 104 OD1 ASP A 10 -4.156 17.753 5.386 1.00 0.00 O ATOM 105 OD2 ASP A 10 -5.120 17.885 3.415 1.00 0.00 O ATOM 0 H ASP A 10 0.006 17.573 3.079 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.886 17.249 5.333 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.445 18.957 3.373 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -2.810 17.498 2.474 1.00 0.00 H new ATOM 110 N PRO A 11 -1.505 14.813 4.899 1.00 0.00 N ATOM 111 CA PRO A 11 -1.499 13.361 4.701 1.00 0.00 C ATOM 112 C PRO A 11 -2.882 12.816 4.360 1.00 0.00 C ATOM 113 O PRO A 11 -3.053 11.615 4.153 1.00 0.00 O ATOM 114 CB PRO A 11 -1.029 12.820 6.053 1.00 0.00 C ATOM 115 CG PRO A 11 -1.410 13.873 7.036 1.00 0.00 C ATOM 116 CD PRO A 11 -1.284 15.183 6.307 1.00 0.00 C ATOM 0 HA PRO A 11 -0.864 13.067 3.865 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.507 11.869 6.287 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.047 12.645 6.057 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.428 13.722 7.395 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.757 13.847 7.909 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.021 15.908 6.652 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.302 15.632 6.455 1.00 0.00 H new ATOM 124 N SER A 12 -3.866 13.707 4.302 1.00 0.00 N ATOM 125 CA SER A 12 -5.235 13.315 3.989 1.00 0.00 C ATOM 126 C SER A 12 -5.558 13.592 2.524 1.00 0.00 C ATOM 127 O SER A 12 -6.712 13.509 2.104 1.00 0.00 O ATOM 128 CB SER A 12 -6.221 14.062 4.890 1.00 0.00 C ATOM 129 OG SER A 12 -6.000 15.461 4.837 1.00 0.00 O ATOM 0 H SER A 12 -3.741 14.706 4.468 1.00 0.00 H new ATOM 0 HA SER A 12 -5.330 12.244 4.168 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.242 13.840 4.580 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.117 13.713 5.917 1.00 0.00 H new ATOM 0 HG SER A 12 -6.643 15.916 5.420 1.00 0.00 H new ATOM 135 N LYS A 13 -4.530 13.920 1.749 1.00 0.00 N ATOM 136 CA LYS A 13 -4.700 14.208 0.331 1.00 0.00 C ATOM 137 C LYS A 13 -3.986 13.167 -0.525 1.00 0.00 C ATOM 138 O LYS A 13 -4.144 13.139 -1.746 1.00 0.00 O ATOM 139 CB LYS A 13 -4.168 15.605 0.005 1.00 0.00 C ATOM 140 CG LYS A 13 -4.730 16.695 0.900 1.00 0.00 C ATOM 141 CD LYS A 13 -6.110 17.136 0.442 1.00 0.00 C ATOM 142 CE LYS A 13 -7.205 16.313 1.100 1.00 0.00 C ATOM 143 NZ LYS A 13 -8.521 17.011 1.066 1.00 0.00 N ATOM 0 H LYS A 13 -3.568 13.993 2.081 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.765 14.170 0.104 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.081 15.600 0.092 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.404 15.841 -1.033 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.785 16.332 1.926 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.055 17.551 0.900 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.254 18.190 0.679 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.183 17.040 -0.641 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.291 15.352 0.593 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.931 16.105 2.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.241 16.417 1.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.447 17.917 1.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.795 17.187 0.078 1.00 0.00 H new ATOM 157 N VAL A 14 -3.202 12.311 0.123 1.00 0.00 N ATOM 158 CA VAL A 14 -2.467 11.266 -0.579 1.00 0.00 C ATOM 159 C VAL A 14 -3.342 10.040 -0.813 1.00 0.00 C ATOM 160 O VAL A 14 -3.881 9.459 0.129 1.00 0.00 O ATOM 161 CB VAL A 14 -1.208 10.844 0.202 1.00 0.00 C ATOM 162 CG1 VAL A 14 -1.503 10.778 1.693 1.00 0.00 C ATOM 163 CG2 VAL A 14 -0.687 9.509 -0.308 1.00 0.00 C ATOM 0 H VAL A 14 -3.060 12.321 1.133 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.166 11.682 -1.541 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.433 11.594 0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.603 10.478 2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.825 11.758 2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.293 10.050 1.876 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.203 9.227 0.255 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.455 8.746 -0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.435 9.597 -1.365 1.00 0.00 H new ATOM 173 N LYS A 15 -3.479 9.649 -2.075 1.00 0.00 N ATOM 174 CA LYS A 15 -4.287 8.490 -2.434 1.00 0.00 C ATOM 175 C LYS A 15 -3.425 7.400 -3.064 1.00 0.00 C ATOM 176 O LYS A 15 -2.240 7.607 -3.326 1.00 0.00 O ATOM 177 CB LYS A 15 -5.400 8.898 -3.402 1.00 0.00 C ATOM 178 CG LYS A 15 -6.589 9.551 -2.721 1.00 0.00 C ATOM 179 CD LYS A 15 -7.863 9.374 -3.531 1.00 0.00 C ATOM 180 CE LYS A 15 -8.913 10.406 -3.149 1.00 0.00 C ATOM 181 NZ LYS A 15 -10.010 10.478 -4.155 1.00 0.00 N ATOM 0 H LYS A 15 -3.040 10.118 -2.867 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.734 8.094 -1.522 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.992 9.587 -4.142 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.741 8.015 -3.943 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.724 9.119 -1.730 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.391 10.614 -2.581 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.635 9.461 -4.593 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.261 8.372 -3.371 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.330 10.156 -2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.443 11.385 -3.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.706 11.192 -3.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.616 10.741 -5.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.475 9.551 -4.228 1.00 0.00 H new ATOM 195 N ILE A 16 -4.028 6.241 -3.307 1.00 0.00 N ATOM 196 CA ILE A 16 -3.316 5.121 -3.909 1.00 0.00 C ATOM 197 C ILE A 16 -4.242 4.291 -4.791 1.00 0.00 C ATOM 198 O ILE A 16 -5.392 4.035 -4.433 1.00 0.00 O ATOM 199 CB ILE A 16 -2.693 4.209 -2.836 1.00 0.00 C ATOM 200 CG1 ILE A 16 -3.789 3.505 -2.033 1.00 0.00 C ATOM 201 CG2 ILE A 16 -1.789 5.015 -1.916 1.00 0.00 C ATOM 202 CD1 ILE A 16 -3.257 2.503 -1.034 1.00 0.00 C ATOM 0 H ILE A 16 -5.008 6.053 -3.096 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.520 5.545 -4.521 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.089 3.449 -3.333 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.379 4.254 -1.505 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.463 2.996 -2.722 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.356 4.356 -1.163 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.991 5.473 -2.500 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.372 5.794 -1.425 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.089 2.043 -0.501 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.691 1.732 -1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.606 3.010 -0.322 1.00 0.00 H new ATOM 214 N ALA A 17 -3.733 3.870 -5.944 1.00 0.00 N ATOM 215 CA ALA A 17 -4.513 3.064 -6.876 1.00 0.00 C ATOM 216 C ALA A 17 -3.648 1.995 -7.533 1.00 0.00 C ATOM 217 O ALA A 17 -2.509 2.255 -7.920 1.00 0.00 O ATOM 218 CB ALA A 17 -5.155 3.952 -7.932 1.00 0.00 C ATOM 0 H ALA A 17 -2.783 4.074 -6.256 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.300 2.561 -6.314 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.734 3.337 -8.621 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.813 4.674 -7.449 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.378 4.481 -8.483 1.00 0.00 H new ATOM 224 N GLY A 18 -4.197 0.790 -7.659 1.00 0.00 N ATOM 225 CA GLY A 18 -3.462 -0.300 -8.270 1.00 0.00 C ATOM 226 C GLY A 18 -4.052 -1.656 -7.939 1.00 0.00 C ATOM 227 O GLY A 18 -4.901 -1.789 -7.057 1.00 0.00 O ATOM 0 H GLY A 18 -5.138 0.550 -7.348 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.452 -0.166 -9.352 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.425 -0.267 -7.935 1.00 0.00 H new ATOM 231 N PRO A 19 -3.602 -2.694 -8.659 1.00 0.00 N ATOM 232 CA PRO A 19 -4.079 -4.065 -8.456 1.00 0.00 C ATOM 233 C PRO A 19 -3.606 -4.653 -7.131 1.00 0.00 C ATOM 234 O PRO A 19 -4.235 -5.555 -6.581 1.00 0.00 O ATOM 235 CB PRO A 19 -3.465 -4.833 -9.629 1.00 0.00 C ATOM 236 CG PRO A 19 -2.254 -4.049 -10.003 1.00 0.00 C ATOM 237 CD PRO A 19 -2.591 -2.610 -9.727 1.00 0.00 C ATOM 0 HA PRO A 19 -5.167 -4.115 -8.418 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.204 -5.852 -9.342 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.163 -4.906 -10.463 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.389 -4.366 -9.421 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.003 -4.196 -11.053 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.715 -2.046 -9.407 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.984 -2.112 -10.614 1.00 0.00 H new ATOM 245 N GLY A 20 -2.492 -4.134 -6.622 1.00 0.00 N ATOM 246 CA GLY A 20 -1.954 -4.620 -5.365 1.00 0.00 C ATOM 247 C GLY A 20 -2.927 -4.451 -4.214 1.00 0.00 C ATOM 248 O GLY A 20 -2.896 -5.214 -3.248 1.00 0.00 O ATOM 0 H GLY A 20 -1.953 -3.386 -7.058 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.696 -5.674 -5.467 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.031 -4.087 -5.138 1.00 0.00 H new ATOM 252 N LEU A 21 -3.792 -3.449 -4.316 1.00 0.00 N ATOM 253 CA LEU A 21 -4.778 -3.181 -3.274 1.00 0.00 C ATOM 254 C LEU A 21 -6.132 -3.782 -3.639 1.00 0.00 C ATOM 255 O LEU A 21 -6.982 -3.992 -2.774 1.00 0.00 O ATOM 256 CB LEU A 21 -4.919 -1.674 -3.053 1.00 0.00 C ATOM 257 CG LEU A 21 -3.613 -0.891 -2.916 1.00 0.00 C ATOM 258 CD1 LEU A 21 -3.818 0.564 -3.312 1.00 0.00 C ATOM 259 CD2 LEU A 21 -3.080 -0.987 -1.495 1.00 0.00 C ATOM 0 H LEU A 21 -3.831 -2.809 -5.109 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.431 -3.646 -2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.484 -1.256 -3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.512 -1.513 -2.153 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.877 -1.330 -3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.878 1.105 -3.208 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.154 0.615 -4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.570 1.015 -2.664 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.150 -0.424 -1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.814 -0.574 -0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.894 -2.032 -1.246 1.00 0.00 H new ATOM 271 N GLY A 22 -6.324 -4.059 -4.925 1.00 0.00 N ATOM 272 CA GLY A 22 -7.576 -4.635 -5.380 1.00 0.00 C ATOM 273 C GLY A 22 -7.899 -5.943 -4.686 1.00 0.00 C ATOM 274 O GLY A 22 -7.041 -6.534 -4.030 1.00 0.00 O ATOM 0 H GLY A 22 -5.635 -3.895 -5.659 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.384 -3.925 -5.204 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.526 -4.801 -6.456 1.00 0.00 H new ATOM 278 N SER A 23 -9.141 -6.395 -4.828 1.00 0.00 N ATOM 279 CA SER A 23 -9.577 -7.639 -4.205 1.00 0.00 C ATOM 280 C SER A 23 -9.195 -8.841 -5.063 1.00 0.00 C ATOM 281 O SER A 23 -9.608 -9.967 -4.794 1.00 0.00 O ATOM 282 CB SER A 23 -11.090 -7.619 -3.980 1.00 0.00 C ATOM 283 OG SER A 23 -11.494 -8.677 -3.129 1.00 0.00 O ATOM 0 H SER A 23 -9.863 -5.918 -5.369 1.00 0.00 H new ATOM 0 HA SER A 23 -9.075 -7.729 -3.242 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.383 -6.665 -3.543 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.604 -7.702 -4.938 1.00 0.00 H new ATOM 0 HG SER A 23 -11.113 -9.520 -3.452 1.00 0.00 H new ATOM 289 N GLY A 24 -8.401 -8.591 -6.101 1.00 0.00 N ATOM 290 CA GLY A 24 -7.977 -9.660 -6.984 1.00 0.00 C ATOM 291 C GLY A 24 -6.496 -9.962 -6.861 1.00 0.00 C ATOM 292 O GLY A 24 -5.779 -10.008 -7.861 1.00 0.00 O ATOM 0 H GLY A 24 -8.045 -7.667 -6.345 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.548 -10.561 -6.759 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.205 -9.387 -8.015 1.00 0.00 H new ATOM 296 N VAL A 25 -6.035 -10.163 -5.630 1.00 0.00 N ATOM 297 CA VAL A 25 -4.630 -10.460 -5.379 1.00 0.00 C ATOM 298 C VAL A 25 -4.422 -11.947 -5.115 1.00 0.00 C ATOM 299 O VAL A 25 -5.242 -12.593 -4.462 1.00 0.00 O ATOM 300 CB VAL A 25 -4.093 -9.657 -4.180 1.00 0.00 C ATOM 301 CG1 VAL A 25 -2.696 -10.127 -3.805 1.00 0.00 C ATOM 302 CG2 VAL A 25 -4.096 -8.167 -4.493 1.00 0.00 C ATOM 0 H VAL A 25 -6.614 -10.125 -4.791 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.080 -10.173 -6.275 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.750 -9.828 -3.327 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.333 -9.548 -2.956 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.727 -11.183 -3.537 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.025 -9.987 -4.653 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.714 -7.614 -3.635 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.463 -7.976 -5.359 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.114 -7.843 -4.709 1.00 0.00 H new ATOM 312 N ARG A 26 -3.318 -12.484 -5.625 1.00 0.00 N ATOM 313 CA ARG A 26 -3.002 -13.895 -5.445 1.00 0.00 C ATOM 314 C ARG A 26 -1.686 -14.066 -4.692 1.00 0.00 C ATOM 315 O ARG A 26 -0.796 -13.219 -4.776 1.00 0.00 O ATOM 316 CB ARG A 26 -2.920 -14.599 -6.801 1.00 0.00 C ATOM 317 CG ARG A 26 -4.203 -14.510 -7.611 1.00 0.00 C ATOM 318 CD ARG A 26 -4.188 -15.478 -8.784 1.00 0.00 C ATOM 319 NE ARG A 26 -5.444 -15.452 -9.531 1.00 0.00 N ATOM 320 CZ ARG A 26 -5.713 -14.569 -10.486 1.00 0.00 C ATOM 321 NH1 ARG A 26 -4.819 -13.646 -10.810 1.00 0.00 N ATOM 322 NH2 ARG A 26 -6.878 -14.610 -11.120 1.00 0.00 N ATOM 0 H ARG A 26 -2.628 -11.963 -6.166 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.800 -14.347 -4.856 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.105 -14.163 -7.378 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.673 -15.649 -6.642 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.056 -14.728 -6.969 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.333 -13.492 -7.979 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.364 -15.226 -9.451 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.005 -16.488 -8.418 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.153 -16.150 -9.307 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.922 -13.613 -10.326 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.028 -12.969 -11.544 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.568 -15.320 -10.874 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.084 -13.931 -11.853 1.00 0.00 H new ATOM 336 N ALA A 27 -1.570 -15.166 -3.955 1.00 0.00 N ATOM 337 CA ALA A 27 -0.362 -15.447 -3.188 1.00 0.00 C ATOM 338 C ALA A 27 0.813 -15.756 -4.108 1.00 0.00 C ATOM 339 O ALA A 27 0.632 -16.276 -5.210 1.00 0.00 O ATOM 340 CB ALA A 27 -0.604 -16.605 -2.230 1.00 0.00 C ATOM 0 H ALA A 27 -2.297 -15.877 -3.873 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.112 -14.557 -2.610 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.306 -16.805 -1.663 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.410 -16.347 -1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.881 -17.494 -2.796 1.00 0.00 H new ATOM 346 N ARG A 28 2.018 -15.432 -3.651 1.00 0.00 N ATOM 347 CA ARG A 28 3.224 -15.673 -4.435 1.00 0.00 C ATOM 348 C ARG A 28 3.116 -15.023 -5.812 1.00 0.00 C ATOM 349 O ARG A 28 3.531 -15.599 -6.817 1.00 0.00 O ATOM 350 CB ARG A 28 3.467 -17.175 -4.587 1.00 0.00 C ATOM 351 CG ARG A 28 3.608 -17.907 -3.262 1.00 0.00 C ATOM 352 CD ARG A 28 4.135 -19.319 -3.458 1.00 0.00 C ATOM 353 NE ARG A 28 5.593 -19.352 -3.543 1.00 0.00 N ATOM 354 CZ ARG A 28 6.266 -19.252 -4.684 1.00 0.00 C ATOM 355 NH1 ARG A 28 5.615 -19.112 -5.831 1.00 0.00 N ATOM 356 NH2 ARG A 28 7.592 -19.290 -4.680 1.00 0.00 N ATOM 0 H ARG A 28 2.185 -15.002 -2.741 1.00 0.00 H new ATOM 0 HA ARG A 28 4.066 -15.227 -3.906 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.642 -17.613 -5.148 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.371 -17.330 -5.176 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.283 -17.353 -2.609 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.640 -17.945 -2.762 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.806 -19.947 -2.630 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.709 -19.742 -4.368 1.00 0.00 H new ATOM 0 HE ARG A 28 6.124 -19.458 -2.678 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.596 -19.081 -5.838 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.134 -19.035 -6.706 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.097 -19.396 -3.800 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.107 -19.213 -5.557 1.00 0.00 H new ATOM 370 N VAL A 29 2.557 -13.817 -5.848 1.00 0.00 N ATOM 371 CA VAL A 29 2.395 -13.088 -7.100 1.00 0.00 C ATOM 372 C VAL A 29 2.926 -11.664 -6.980 1.00 0.00 C ATOM 373 O VAL A 29 2.914 -11.075 -5.898 1.00 0.00 O ATOM 374 CB VAL A 29 0.918 -13.038 -7.534 1.00 0.00 C ATOM 375 CG1 VAL A 29 0.741 -12.102 -8.721 1.00 0.00 C ATOM 376 CG2 VAL A 29 0.413 -14.433 -7.866 1.00 0.00 C ATOM 0 H VAL A 29 2.209 -13.325 -5.025 1.00 0.00 H new ATOM 0 HA VAL A 29 2.970 -13.625 -7.855 1.00 0.00 H new ATOM 0 HB VAL A 29 0.327 -12.650 -6.704 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.309 -12.080 -9.013 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.062 -11.098 -8.444 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.343 -12.457 -9.557 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.632 -14.379 -8.171 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.007 -14.851 -8.679 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.502 -15.071 -6.987 1.00 0.00 H new ATOM 386 N LEU A 30 3.392 -11.116 -8.097 1.00 0.00 N ATOM 387 CA LEU A 30 3.928 -9.759 -8.116 1.00 0.00 C ATOM 388 C LEU A 30 2.808 -8.729 -8.018 1.00 0.00 C ATOM 389 O LEU A 30 2.025 -8.559 -8.953 1.00 0.00 O ATOM 390 CB LEU A 30 4.738 -9.528 -9.394 1.00 0.00 C ATOM 391 CG LEU A 30 5.551 -8.235 -9.449 1.00 0.00 C ATOM 392 CD1 LEU A 30 6.856 -8.391 -8.684 1.00 0.00 C ATOM 393 CD2 LEU A 30 5.820 -7.835 -10.893 1.00 0.00 C ATOM 0 H LEU A 30 3.410 -11.590 -9.000 1.00 0.00 H new ATOM 0 HA LEU A 30 4.581 -9.641 -7.252 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.420 -10.368 -9.525 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.053 -9.539 -10.242 1.00 0.00 H new ATOM 0 HG LEU A 30 4.970 -7.443 -8.976 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.421 -7.460 -8.735 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.641 -8.629 -7.642 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.443 -9.196 -9.126 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.400 -6.912 -10.913 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.380 -8.626 -11.391 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.873 -7.680 -11.410 1.00 0.00 H new ATOM 405 N GLN A 31 2.738 -8.043 -6.882 1.00 0.00 N ATOM 406 CA GLN A 31 1.715 -7.029 -6.663 1.00 0.00 C ATOM 407 C GLN A 31 2.340 -5.645 -6.519 1.00 0.00 C ATOM 408 O GLN A 31 3.250 -5.446 -5.715 1.00 0.00 O ATOM 409 CB GLN A 31 0.894 -7.363 -5.416 1.00 0.00 C ATOM 410 CG GLN A 31 0.376 -8.792 -5.393 1.00 0.00 C ATOM 411 CD GLN A 31 -0.654 -9.057 -6.473 1.00 0.00 C ATOM 412 OE1 GLN A 31 -1.148 -8.131 -7.117 1.00 0.00 O ATOM 413 NE2 GLN A 31 -0.983 -10.326 -6.678 1.00 0.00 N ATOM 0 H GLN A 31 3.378 -8.172 -6.099 1.00 0.00 H new ATOM 0 HA GLN A 31 1.057 -7.021 -7.532 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.508 -7.194 -4.531 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.049 -6.678 -5.354 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.213 -9.480 -5.518 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.064 -8.999 -4.418 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.549 -11.062 -6.121 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.670 -10.566 -7.393 1.00 0.00 H new ATOM 422 N SER A 32 1.846 -4.694 -7.305 1.00 0.00 N ATOM 423 CA SER A 32 2.360 -3.330 -7.268 1.00 0.00 C ATOM 424 C SER A 32 1.234 -2.319 -7.469 1.00 0.00 C ATOM 425 O SER A 32 0.249 -2.599 -8.152 1.00 0.00 O ATOM 426 CB SER A 32 3.431 -3.137 -8.343 1.00 0.00 C ATOM 427 OG SER A 32 4.081 -1.885 -8.198 1.00 0.00 O ATOM 0 H SER A 32 1.091 -4.843 -7.975 1.00 0.00 H new ATOM 0 HA SER A 32 2.805 -3.162 -6.287 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.165 -3.941 -8.278 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.975 -3.201 -9.331 1.00 0.00 H new ATOM 0 HG SER A 32 4.762 -1.787 -8.896 1.00 0.00 H new ATOM 433 N PHE A 33 1.388 -1.144 -6.868 1.00 0.00 N ATOM 434 CA PHE A 33 0.385 -0.092 -6.979 1.00 0.00 C ATOM 435 C PHE A 33 1.045 1.279 -7.101 1.00 0.00 C ATOM 436 O PHE A 33 2.272 1.389 -7.127 1.00 0.00 O ATOM 437 CB PHE A 33 -0.546 -0.116 -5.765 1.00 0.00 C ATOM 438 CG PHE A 33 0.180 -0.215 -4.454 1.00 0.00 C ATOM 439 CD1 PHE A 33 0.903 -1.351 -4.131 1.00 0.00 C ATOM 440 CD2 PHE A 33 0.139 0.829 -3.544 1.00 0.00 C ATOM 441 CE1 PHE A 33 1.573 -1.446 -2.927 1.00 0.00 C ATOM 442 CE2 PHE A 33 0.807 0.741 -2.337 1.00 0.00 C ATOM 443 CZ PHE A 33 1.525 -0.398 -2.028 1.00 0.00 C ATOM 0 H PHE A 33 2.198 -0.897 -6.299 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.199 -0.276 -7.881 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.155 0.788 -5.766 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.229 -0.961 -5.858 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.943 -2.174 -4.830 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.421 1.722 -3.780 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.133 -2.338 -2.689 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.768 1.562 -1.636 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.048 -0.469 -1.086 1.00 0.00 H new ATOM 453 N THR A 34 0.223 2.320 -7.175 1.00 0.00 N ATOM 454 CA THR A 34 0.726 3.683 -7.295 1.00 0.00 C ATOM 455 C THR A 34 0.202 4.564 -6.166 1.00 0.00 C ATOM 456 O THR A 34 -0.972 4.494 -5.805 1.00 0.00 O ATOM 457 CB THR A 34 0.331 4.310 -8.646 1.00 0.00 C ATOM 458 OG1 THR A 34 0.853 3.523 -9.722 1.00 0.00 O ATOM 459 CG2 THR A 34 0.852 5.736 -8.754 1.00 0.00 C ATOM 0 H THR A 34 -0.794 2.246 -7.154 1.00 0.00 H new ATOM 0 HA THR A 34 1.813 3.626 -7.233 1.00 0.00 H new ATOM 0 HB THR A 34 -0.757 4.332 -8.707 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.596 3.927 -10.577 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.561 6.158 -9.716 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.430 6.339 -7.950 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.939 5.733 -8.673 1.00 0.00 H new ATOM 467 N VAL A 35 1.081 5.394 -5.614 1.00 0.00 N ATOM 468 CA VAL A 35 0.708 6.291 -4.526 1.00 0.00 C ATOM 469 C VAL A 35 0.873 7.749 -4.936 1.00 0.00 C ATOM 470 O VAL A 35 1.992 8.250 -5.051 1.00 0.00 O ATOM 471 CB VAL A 35 1.549 6.025 -3.265 1.00 0.00 C ATOM 472 CG1 VAL A 35 1.090 6.914 -2.119 1.00 0.00 C ATOM 473 CG2 VAL A 35 1.474 4.557 -2.874 1.00 0.00 C ATOM 0 H VAL A 35 2.057 5.464 -5.902 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.341 6.096 -4.301 1.00 0.00 H new ATOM 0 HB VAL A 35 2.589 6.266 -3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.696 6.712 -1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.201 7.960 -2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.043 6.708 -1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.075 4.387 -1.980 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.438 4.287 -2.671 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.856 3.943 -3.690 1.00 0.00 H new ATOM 483 N ASP A 36 -0.248 8.428 -5.156 1.00 0.00 N ATOM 484 CA ASP A 36 -0.228 9.832 -5.551 1.00 0.00 C ATOM 485 C ASP A 36 -0.193 10.741 -4.326 1.00 0.00 C ATOM 486 O ASP A 36 -1.232 11.065 -3.753 1.00 0.00 O ATOM 487 CB ASP A 36 -1.451 10.159 -6.410 1.00 0.00 C ATOM 488 CG ASP A 36 -1.402 11.565 -6.973 1.00 0.00 C ATOM 489 OD1 ASP A 36 -0.388 11.915 -7.614 1.00 0.00 O ATOM 490 OD2 ASP A 36 -2.380 12.318 -6.774 1.00 0.00 O ATOM 0 H ASP A 36 -1.182 8.029 -5.067 1.00 0.00 H new ATOM 0 HA ASP A 36 0.675 10.007 -6.136 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.517 9.444 -7.230 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.354 10.042 -5.811 1.00 0.00 H new ATOM 495 N SER A 37 1.009 11.148 -3.931 1.00 0.00 N ATOM 496 CA SER A 37 1.180 12.015 -2.772 1.00 0.00 C ATOM 497 C SER A 37 1.468 13.449 -3.205 1.00 0.00 C ATOM 498 O SER A 37 1.996 14.248 -2.431 1.00 0.00 O ATOM 499 CB SER A 37 2.315 11.499 -1.886 1.00 0.00 C ATOM 500 OG SER A 37 3.576 11.714 -2.495 1.00 0.00 O ATOM 0 H SER A 37 1.879 10.891 -4.397 1.00 0.00 H new ATOM 0 HA SER A 37 0.251 12.006 -2.201 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.284 12.003 -0.920 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.177 10.435 -1.695 1.00 0.00 H new ATOM 0 HG SER A 37 4.140 12.250 -1.899 1.00 0.00 H new ATOM 506 N SER A 38 1.118 13.768 -4.447 1.00 0.00 N ATOM 507 CA SER A 38 1.343 15.104 -4.986 1.00 0.00 C ATOM 508 C SER A 38 0.443 16.126 -4.296 1.00 0.00 C ATOM 509 O SER A 38 0.835 17.273 -4.085 1.00 0.00 O ATOM 510 CB SER A 38 1.086 15.119 -6.494 1.00 0.00 C ATOM 511 OG SER A 38 1.659 16.266 -7.098 1.00 0.00 O ATOM 0 H SER A 38 0.677 13.119 -5.099 1.00 0.00 H new ATOM 0 HA SER A 38 2.382 15.374 -4.799 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.503 14.219 -6.946 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.013 15.102 -6.683 1.00 0.00 H new ATOM 0 HG SER A 38 1.482 16.251 -8.062 1.00 0.00 H new ATOM 517 N LYS A 39 -0.766 15.700 -3.947 1.00 0.00 N ATOM 518 CA LYS A 39 -1.723 16.574 -3.279 1.00 0.00 C ATOM 519 C LYS A 39 -1.456 16.629 -1.778 1.00 0.00 C ATOM 520 O LYS A 39 -2.003 17.475 -1.071 1.00 0.00 O ATOM 521 CB LYS A 39 -3.152 16.092 -3.537 1.00 0.00 C ATOM 522 CG LYS A 39 -3.551 16.124 -5.002 1.00 0.00 C ATOM 523 CD LYS A 39 -3.963 17.521 -5.437 1.00 0.00 C ATOM 524 CE LYS A 39 -4.116 17.611 -6.948 1.00 0.00 C ATOM 525 NZ LYS A 39 -5.231 16.756 -7.444 1.00 0.00 N ATOM 0 H LYS A 39 -1.107 14.754 -4.116 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.606 17.578 -3.687 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.256 15.073 -3.163 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.844 16.712 -2.967 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.717 15.782 -5.615 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.375 15.431 -5.171 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.905 17.790 -4.958 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.218 18.242 -5.102 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.298 18.647 -7.234 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.185 17.307 -7.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.303 16.845 -8.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.045 15.764 -7.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.124 17.062 -7.007 1.00 0.00 H new ATOM 539 N ALA A 40 -0.611 15.721 -1.299 1.00 0.00 N ATOM 540 CA ALA A 40 -0.270 15.668 0.117 1.00 0.00 C ATOM 541 C ALA A 40 0.838 16.661 0.451 1.00 0.00 C ATOM 542 O ALA A 40 0.809 17.308 1.497 1.00 0.00 O ATOM 543 CB ALA A 40 0.147 14.258 0.507 1.00 0.00 C ATOM 0 H ALA A 40 -0.151 15.013 -1.871 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.155 15.944 0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.399 14.233 1.567 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.675 13.569 0.313 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.016 13.960 -0.079 1.00 0.00 H new ATOM 549 N GLY A 41 1.814 16.776 -0.444 1.00 0.00 N ATOM 550 CA GLY A 41 2.919 17.691 -0.224 1.00 0.00 C ATOM 551 C GLY A 41 4.261 17.071 -0.559 1.00 0.00 C ATOM 552 O GLY A 41 4.363 16.248 -1.469 1.00 0.00 O ATOM 0 H GLY A 41 1.859 16.252 -1.318 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.773 18.584 -0.831 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.920 18.011 0.818 1.00 0.00 H new ATOM 556 N LEU A 42 5.294 17.467 0.176 1.00 0.00 N ATOM 557 CA LEU A 42 6.638 16.946 -0.048 1.00 0.00 C ATOM 558 C LEU A 42 7.051 16.002 1.077 1.00 0.00 C ATOM 559 O LEU A 42 8.228 15.671 1.222 1.00 0.00 O ATOM 560 CB LEU A 42 7.640 18.096 -0.157 1.00 0.00 C ATOM 561 CG LEU A 42 7.071 19.443 -0.605 1.00 0.00 C ATOM 562 CD1 LEU A 42 6.158 19.263 -1.809 1.00 0.00 C ATOM 563 CD2 LEU A 42 6.323 20.112 0.538 1.00 0.00 C ATOM 0 H LEU A 42 5.227 18.148 0.933 1.00 0.00 H new ATOM 0 HA LEU A 42 6.633 16.386 -0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.115 18.230 0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.423 17.804 -0.857 1.00 0.00 H new ATOM 0 HG LEU A 42 7.900 20.087 -0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.762 20.232 -2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.723 18.827 -2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.333 18.601 -1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.925 21.069 0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.503 19.471 0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.005 20.276 1.372 1.00 0.00 H new ATOM 575 N ALA A 43 6.075 15.569 1.867 1.00 0.00 N ATOM 576 CA ALA A 43 6.336 14.660 2.976 1.00 0.00 C ATOM 577 C ALA A 43 6.580 13.241 2.475 1.00 0.00 C ATOM 578 O ALA A 43 6.071 12.828 1.433 1.00 0.00 O ATOM 579 CB ALA A 43 5.176 14.682 3.962 1.00 0.00 C ATOM 0 H ALA A 43 5.096 15.833 1.760 1.00 0.00 H new ATOM 0 HA ALA A 43 7.238 14.998 3.486 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.385 13.998 4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.049 15.692 4.352 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.262 14.372 3.456 1.00 0.00 H new ATOM 585 N PRO A 44 7.378 12.474 3.234 1.00 0.00 N ATOM 586 CA PRO A 44 7.707 11.088 2.886 1.00 0.00 C ATOM 587 C PRO A 44 6.510 10.154 3.028 1.00 0.00 C ATOM 588 O PRO A 44 5.477 10.533 3.581 1.00 0.00 O ATOM 589 CB PRO A 44 8.797 10.719 3.895 1.00 0.00 C ATOM 590 CG PRO A 44 8.554 11.616 5.060 1.00 0.00 C ATOM 591 CD PRO A 44 8.019 12.899 4.489 1.00 0.00 C ATOM 0 HA PRO A 44 8.019 10.992 1.846 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.731 9.670 4.183 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.792 10.873 3.477 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.841 11.170 5.754 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.475 11.790 5.617 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.306 13.372 5.164 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.815 13.621 4.309 1.00 0.00 H new ATOM 599 N LEU A 45 6.656 8.932 2.528 1.00 0.00 N ATOM 600 CA LEU A 45 5.587 7.944 2.600 1.00 0.00 C ATOM 601 C LEU A 45 6.073 6.663 3.272 1.00 0.00 C ATOM 602 O LEU A 45 7.191 6.211 3.031 1.00 0.00 O ATOM 603 CB LEU A 45 5.062 7.628 1.197 1.00 0.00 C ATOM 604 CG LEU A 45 4.097 6.447 1.092 1.00 0.00 C ATOM 605 CD1 LEU A 45 2.671 6.895 1.378 1.00 0.00 C ATOM 606 CD2 LEU A 45 4.190 5.803 -0.283 1.00 0.00 C ATOM 0 H LEU A 45 7.505 8.602 2.068 1.00 0.00 H new ATOM 0 HA LEU A 45 4.779 8.363 3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.562 8.516 0.810 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.915 7.433 0.547 1.00 0.00 H new ATOM 0 HG LEU A 45 4.379 5.705 1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.998 6.041 1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.615 7.309 2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.377 7.657 0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.496 4.964 -0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.934 6.537 -1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.206 5.445 -0.449 1.00 0.00 H new ATOM 618 N GLU A 46 5.223 6.085 4.116 1.00 0.00 N ATOM 619 CA GLU A 46 5.567 4.857 4.822 1.00 0.00 C ATOM 620 C GLU A 46 4.700 3.696 4.348 1.00 0.00 C ATOM 621 O GLU A 46 3.516 3.869 4.056 1.00 0.00 O ATOM 622 CB GLU A 46 5.403 5.047 6.332 1.00 0.00 C ATOM 623 CG GLU A 46 6.304 4.148 7.161 1.00 0.00 C ATOM 624 CD GLU A 46 6.332 4.538 8.625 1.00 0.00 C ATOM 625 OE1 GLU A 46 6.015 5.706 8.934 1.00 0.00 O ATOM 626 OE2 GLU A 46 6.671 3.676 9.463 1.00 0.00 O ATOM 0 H GLU A 46 4.293 6.447 4.327 1.00 0.00 H new ATOM 0 HA GLU A 46 6.609 4.623 4.604 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.611 6.087 6.583 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.365 4.856 6.603 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.964 3.116 7.070 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.317 4.186 6.760 1.00 0.00 H new ATOM 633 N VAL A 47 5.296 2.510 4.274 1.00 0.00 N ATOM 634 CA VAL A 47 4.578 1.319 3.835 1.00 0.00 C ATOM 635 C VAL A 47 4.893 0.126 4.732 1.00 0.00 C ATOM 636 O VAL A 47 6.057 -0.163 5.011 1.00 0.00 O ATOM 637 CB VAL A 47 4.926 0.958 2.379 1.00 0.00 C ATOM 638 CG1 VAL A 47 4.260 -0.350 1.978 1.00 0.00 C ATOM 639 CG2 VAL A 47 4.519 2.083 1.440 1.00 0.00 C ATOM 0 H VAL A 47 6.274 2.348 4.512 1.00 0.00 H new ATOM 0 HA VAL A 47 3.514 1.549 3.900 1.00 0.00 H new ATOM 0 HB VAL A 47 6.005 0.825 2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.518 -0.588 0.946 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.606 -1.150 2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.178 -0.250 2.068 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.772 1.811 0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.445 2.250 1.516 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.048 2.996 1.715 1.00 0.00 H new ATOM 649 N ARG A 48 3.849 -0.563 5.179 1.00 0.00 N ATOM 650 CA ARG A 48 4.014 -1.725 6.045 1.00 0.00 C ATOM 651 C ARG A 48 3.016 -2.820 5.681 1.00 0.00 C ATOM 652 O ARG A 48 1.871 -2.539 5.327 1.00 0.00 O ATOM 653 CB ARG A 48 3.835 -1.324 7.510 1.00 0.00 C ATOM 654 CG ARG A 48 3.943 -2.491 8.478 1.00 0.00 C ATOM 655 CD ARG A 48 4.499 -2.050 9.823 1.00 0.00 C ATOM 656 NE ARG A 48 5.939 -1.814 9.771 1.00 0.00 N ATOM 657 CZ ARG A 48 6.841 -2.788 9.704 1.00 0.00 C ATOM 658 NH1 ARG A 48 6.452 -4.056 9.682 1.00 0.00 N ATOM 659 NH2 ARG A 48 8.134 -2.495 9.659 1.00 0.00 N ATOM 0 H ARG A 48 2.880 -0.337 4.956 1.00 0.00 H new ATOM 0 HA ARG A 48 5.022 -2.114 5.902 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.587 -0.578 7.768 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.861 -0.851 7.632 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.960 -2.940 8.619 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.587 -3.260 8.052 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.994 -1.138 10.142 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.284 -2.813 10.571 1.00 0.00 H new ATOM 0 HE ARG A 48 6.271 -0.850 9.787 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.459 -4.285 9.717 1.00 0.00 H new ATOM 0 HH12 ARG A 48 7.146 -4.802 9.631 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.437 -1.521 9.676 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.825 -3.243 9.608 1.00 0.00 H new ATOM 673 N VAL A 49 3.458 -4.070 5.770 1.00 0.00 N ATOM 674 CA VAL A 49 2.604 -5.208 5.451 1.00 0.00 C ATOM 675 C VAL A 49 2.547 -6.194 6.612 1.00 0.00 C ATOM 676 O VAL A 49 3.577 -6.566 7.177 1.00 0.00 O ATOM 677 CB VAL A 49 3.098 -5.944 4.191 1.00 0.00 C ATOM 678 CG1 VAL A 49 2.173 -7.103 3.852 1.00 0.00 C ATOM 679 CG2 VAL A 49 3.208 -4.979 3.020 1.00 0.00 C ATOM 0 H VAL A 49 4.403 -4.321 6.061 1.00 0.00 H new ATOM 0 HA VAL A 49 1.606 -4.813 5.264 1.00 0.00 H new ATOM 0 HB VAL A 49 4.089 -6.349 4.393 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.538 -7.611 2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.150 -7.806 4.685 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.168 -6.724 3.668 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.558 -5.515 2.138 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.230 -4.543 2.815 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.914 -4.186 3.267 1.00 0.00 H new ATOM 689 N LEU A 50 1.337 -6.616 6.964 1.00 0.00 N ATOM 690 CA LEU A 50 1.144 -7.561 8.058 1.00 0.00 C ATOM 691 C LEU A 50 0.452 -8.828 7.567 1.00 0.00 C ATOM 692 O LEU A 50 -0.358 -8.787 6.642 1.00 0.00 O ATOM 693 CB LEU A 50 0.321 -6.916 9.175 1.00 0.00 C ATOM 694 CG LEU A 50 1.100 -6.056 10.172 1.00 0.00 C ATOM 695 CD1 LEU A 50 1.283 -4.646 9.631 1.00 0.00 C ATOM 696 CD2 LEU A 50 0.390 -6.026 11.518 1.00 0.00 C ATOM 0 H LEU A 50 0.475 -6.318 6.507 1.00 0.00 H new ATOM 0 HA LEU A 50 2.125 -7.833 8.448 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.452 -6.298 8.719 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.188 -7.706 9.727 1.00 0.00 H new ATOM 0 HG LEU A 50 2.086 -6.499 10.314 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.839 -4.048 10.353 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.834 -4.685 8.692 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.307 -4.192 9.460 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.958 -5.410 12.215 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.608 -5.607 11.393 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.312 -7.040 11.911 1.00 0.00 H new ATOM 708 N GLY A 51 0.774 -9.954 8.197 1.00 0.00 N ATOM 709 CA GLY A 51 0.172 -11.217 7.811 1.00 0.00 C ATOM 710 C GLY A 51 -1.093 -11.519 8.591 1.00 0.00 C ATOM 711 O GLY A 51 -1.449 -10.813 9.535 1.00 0.00 O ATOM 0 H GLY A 51 1.440 -10.014 8.967 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.058 -11.196 6.746 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.891 -12.021 7.966 1.00 0.00 H new ATOM 715 N PRO A 52 -1.795 -12.589 8.194 1.00 0.00 N ATOM 716 CA PRO A 52 -3.040 -13.006 8.848 1.00 0.00 C ATOM 717 C PRO A 52 -2.801 -13.561 10.249 1.00 0.00 C ATOM 718 O PRO A 52 -3.652 -13.434 11.129 1.00 0.00 O ATOM 719 CB PRO A 52 -3.576 -14.102 7.924 1.00 0.00 C ATOM 720 CG PRO A 52 -2.371 -14.639 7.233 1.00 0.00 C ATOM 721 CD PRO A 52 -1.431 -13.477 7.077 1.00 0.00 C ATOM 0 HA PRO A 52 -3.727 -12.171 8.986 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.088 -14.881 8.489 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.296 -13.701 7.210 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.911 -15.438 7.815 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.633 -15.062 6.263 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.389 -13.792 7.138 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.559 -12.984 6.114 1.00 0.00 H new ATOM 729 N ARG A 53 -1.638 -14.172 10.447 1.00 0.00 N ATOM 730 CA ARG A 53 -1.288 -14.746 11.742 1.00 0.00 C ATOM 731 C ARG A 53 -0.132 -13.982 12.379 1.00 0.00 C ATOM 732 O ARG A 53 0.371 -14.366 13.435 1.00 0.00 O ATOM 733 CB ARG A 53 -0.915 -16.221 11.585 1.00 0.00 C ATOM 734 CG ARG A 53 -0.414 -16.579 10.196 1.00 0.00 C ATOM 735 CD ARG A 53 0.932 -15.934 9.906 1.00 0.00 C ATOM 736 NE ARG A 53 1.936 -16.292 10.903 1.00 0.00 N ATOM 737 CZ ARG A 53 2.504 -17.491 10.978 1.00 0.00 C ATOM 738 NH1 ARG A 53 2.167 -18.441 10.117 1.00 0.00 N ATOM 739 NH2 ARG A 53 3.410 -17.740 11.914 1.00 0.00 N ATOM 0 H ARG A 53 -0.922 -14.283 9.729 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.157 -14.666 12.395 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.146 -16.472 12.315 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.786 -16.834 11.817 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.326 -17.662 10.108 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.141 -16.256 9.451 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.276 -16.241 8.918 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.817 -14.850 9.880 1.00 0.00 H new ATOM 0 HE ARG A 53 2.217 -15.583 11.580 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.471 -18.252 9.396 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.604 -19.361 10.176 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.672 -17.011 12.577 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.845 -18.661 11.970 1.00 0.00 H new ATOM 753 N GLY A 54 0.287 -12.900 11.730 1.00 0.00 N ATOM 754 CA GLY A 54 1.381 -12.101 12.248 1.00 0.00 C ATOM 755 C GLY A 54 2.667 -12.305 11.473 1.00 0.00 C ATOM 756 O GLY A 54 3.641 -12.843 12.002 1.00 0.00 O ATOM 0 H GLY A 54 -0.112 -12.563 10.854 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.104 -11.047 12.215 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.548 -12.354 13.295 1.00 0.00 H new ATOM 760 N LEU A 55 2.672 -11.880 10.214 1.00 0.00 N ATOM 761 CA LEU A 55 3.847 -12.021 9.362 1.00 0.00 C ATOM 762 C LEU A 55 4.362 -10.657 8.915 1.00 0.00 C ATOM 763 O LEU A 55 3.583 -9.769 8.571 1.00 0.00 O ATOM 764 CB LEU A 55 3.516 -12.881 8.141 1.00 0.00 C ATOM 765 CG LEU A 55 4.696 -13.253 7.243 1.00 0.00 C ATOM 766 CD1 LEU A 55 5.598 -14.260 7.937 1.00 0.00 C ATOM 767 CD2 LEU A 55 4.202 -13.804 5.914 1.00 0.00 C ATOM 0 H LEU A 55 1.874 -11.434 9.761 1.00 0.00 H new ATOM 0 HA LEU A 55 4.629 -12.511 9.942 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.044 -13.801 8.486 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.779 -12.351 7.538 1.00 0.00 H new ATOM 0 HG LEU A 55 5.276 -12.351 7.046 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.432 -14.513 7.283 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.980 -13.829 8.862 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.029 -15.162 8.165 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.056 -14.063 5.288 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.598 -14.694 6.091 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.598 -13.050 5.410 1.00 0.00 H new ATOM 779 N VAL A 56 5.682 -10.498 8.920 1.00 0.00 N ATOM 780 CA VAL A 56 6.302 -9.243 8.511 1.00 0.00 C ATOM 781 C VAL A 56 7.013 -9.392 7.170 1.00 0.00 C ATOM 782 O VAL A 56 8.052 -10.044 7.077 1.00 0.00 O ATOM 783 CB VAL A 56 7.314 -8.748 9.562 1.00 0.00 C ATOM 784 CG1 VAL A 56 7.943 -7.436 9.122 1.00 0.00 C ATOM 785 CG2 VAL A 56 6.640 -8.598 10.918 1.00 0.00 C ATOM 0 H VAL A 56 6.342 -11.222 9.203 1.00 0.00 H new ATOM 0 HA VAL A 56 5.500 -8.511 8.415 1.00 0.00 H new ATOM 0 HB VAL A 56 8.108 -9.489 9.655 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.655 -7.102 9.877 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.461 -7.581 8.174 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.165 -6.683 8.999 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.368 -8.248 11.649 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.826 -7.877 10.842 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.242 -9.562 11.235 1.00 0.00 H new ATOM 795 N GLU A 57 6.445 -8.783 6.135 1.00 0.00 N ATOM 796 CA GLU A 57 7.024 -8.849 4.798 1.00 0.00 C ATOM 797 C GLU A 57 7.572 -7.489 4.375 1.00 0.00 C ATOM 798 O GLU A 57 7.004 -6.441 4.681 1.00 0.00 O ATOM 799 CB GLU A 57 5.979 -9.327 3.788 1.00 0.00 C ATOM 800 CG GLU A 57 5.699 -10.819 3.860 1.00 0.00 C ATOM 801 CD GLU A 57 6.940 -11.657 3.622 1.00 0.00 C ATOM 802 OE1 GLU A 57 7.245 -11.946 2.445 1.00 0.00 O ATOM 803 OE2 GLU A 57 7.608 -12.023 4.612 1.00 0.00 O ATOM 0 H GLU A 57 5.585 -8.238 6.196 1.00 0.00 H new ATOM 0 HA GLU A 57 7.848 -9.562 4.822 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.049 -8.783 3.955 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.318 -9.078 2.782 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.284 -11.060 4.839 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.942 -11.079 3.120 1.00 0.00 H new ATOM 810 N PRO A 58 8.703 -7.506 3.654 1.00 0.00 N ATOM 811 CA PRO A 58 9.353 -6.283 3.173 1.00 0.00 C ATOM 812 C PRO A 58 8.550 -5.592 2.077 1.00 0.00 C ATOM 813 O PRO A 58 7.603 -6.161 1.534 1.00 0.00 O ATOM 814 CB PRO A 58 10.689 -6.786 2.621 1.00 0.00 C ATOM 815 CG PRO A 58 10.437 -8.208 2.256 1.00 0.00 C ATOM 816 CD PRO A 58 9.434 -8.719 3.252 1.00 0.00 C ATOM 0 HA PRO A 58 9.455 -5.538 3.962 1.00 0.00 H new ATOM 0 HB2 PRO A 58 11.003 -6.205 1.754 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.481 -6.703 3.365 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.053 -8.288 1.239 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.358 -8.790 2.295 1.00 0.00 H new ATOM 0 HD2 PRO A 58 8.769 -9.460 2.808 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.920 -9.196 4.103 1.00 0.00 H new ATOM 824 N VAL A 59 8.932 -4.359 1.757 1.00 0.00 N ATOM 825 CA VAL A 59 8.247 -3.591 0.725 1.00 0.00 C ATOM 826 C VAL A 59 9.237 -2.774 -0.098 1.00 0.00 C ATOM 827 O VAL A 59 10.378 -2.563 0.313 1.00 0.00 O ATOM 828 CB VAL A 59 7.198 -2.642 1.334 1.00 0.00 C ATOM 829 CG1 VAL A 59 6.075 -3.436 1.984 1.00 0.00 C ATOM 830 CG2 VAL A 59 7.848 -1.703 2.339 1.00 0.00 C ATOM 0 H VAL A 59 9.712 -3.871 2.198 1.00 0.00 H new ATOM 0 HA VAL A 59 7.744 -4.309 0.077 1.00 0.00 H new ATOM 0 HB VAL A 59 6.770 -2.039 0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.343 -2.749 2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.592 -4.063 1.235 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.484 -4.065 2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.092 -1.040 2.759 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.304 -2.286 3.139 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.614 -1.110 1.840 1.00 0.00 H new ATOM 840 N ASN A 60 8.792 -2.315 -1.264 1.00 0.00 N ATOM 841 CA ASN A 60 9.639 -1.520 -2.146 1.00 0.00 C ATOM 842 C ASN A 60 9.088 -0.106 -2.299 1.00 0.00 C ATOM 843 O ASN A 60 7.876 0.095 -2.381 1.00 0.00 O ATOM 844 CB ASN A 60 9.749 -2.187 -3.518 1.00 0.00 C ATOM 845 CG ASN A 60 10.704 -1.456 -4.442 1.00 0.00 C ATOM 846 OD1 ASN A 60 10.165 -0.870 -5.505 1.00 0.00 O flip ATOM 847 ND2 ASN A 60 11.911 -1.418 -4.202 1.00 0.00 N flip ATOM 0 H ASN A 60 7.850 -2.480 -1.619 1.00 0.00 H new ATOM 0 HA ASN A 60 10.631 -1.458 -1.698 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.086 -3.216 -3.393 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.762 -2.228 -3.979 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.281 -1.883 -3.373 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.541 -0.922 -4.832 1.00 0.00 H new ATOM 854 N VAL A 61 9.987 0.873 -2.338 1.00 0.00 N ATOM 855 CA VAL A 61 9.592 2.269 -2.483 1.00 0.00 C ATOM 856 C VAL A 61 10.429 2.968 -3.549 1.00 0.00 C ATOM 857 O VAL A 61 11.644 3.108 -3.408 1.00 0.00 O ATOM 858 CB VAL A 61 9.732 3.033 -1.154 1.00 0.00 C ATOM 859 CG1 VAL A 61 9.379 4.501 -1.341 1.00 0.00 C ATOM 860 CG2 VAL A 61 8.859 2.399 -0.081 1.00 0.00 C ATOM 0 H VAL A 61 10.994 0.725 -2.271 1.00 0.00 H new ATOM 0 HA VAL A 61 8.545 2.272 -2.786 1.00 0.00 H new ATOM 0 HB VAL A 61 10.770 2.973 -0.828 1.00 0.00 H new ATOM 0 HG11 VAL A 61 9.484 5.024 -0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.050 4.946 -2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 61 8.350 4.586 -1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 61 8.970 2.952 0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 61 7.816 2.427 -0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 61 9.164 1.364 0.072 1.00 0.00 H new ATOM 870 N VAL A 62 9.770 3.406 -4.617 1.00 0.00 N ATOM 871 CA VAL A 62 10.452 4.094 -5.708 1.00 0.00 C ATOM 872 C VAL A 62 9.639 5.285 -6.200 1.00 0.00 C ATOM 873 O VAL A 62 8.473 5.143 -6.572 1.00 0.00 O ATOM 874 CB VAL A 62 10.719 3.143 -6.890 1.00 0.00 C ATOM 875 CG1 VAL A 62 11.413 3.884 -8.023 1.00 0.00 C ATOM 876 CG2 VAL A 62 11.544 1.948 -6.437 1.00 0.00 C ATOM 0 H VAL A 62 8.765 3.297 -4.750 1.00 0.00 H new ATOM 0 HA VAL A 62 11.405 4.448 -5.314 1.00 0.00 H new ATOM 0 HB VAL A 62 9.763 2.774 -7.261 1.00 0.00 H new ATOM 0 HG11 VAL A 62 11.594 3.197 -8.850 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.780 4.703 -8.364 1.00 0.00 H new ATOM 0 HG13 VAL A 62 12.363 4.283 -7.668 1.00 0.00 H new ATOM 0 HG21 VAL A 62 11.723 1.287 -7.285 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.498 2.294 -6.039 1.00 0.00 H new ATOM 0 HG23 VAL A 62 11.003 1.405 -5.662 1.00 0.00 H new ATOM 886 N ASP A 63 10.261 6.459 -6.201 1.00 0.00 N ATOM 887 CA ASP A 63 9.595 7.677 -6.650 1.00 0.00 C ATOM 888 C ASP A 63 9.599 7.767 -8.173 1.00 0.00 C ATOM 889 O ASP A 63 10.627 7.559 -8.815 1.00 0.00 O ATOM 890 CB ASP A 63 10.279 8.907 -6.052 1.00 0.00 C ATOM 891 CG ASP A 63 9.751 10.204 -6.635 1.00 0.00 C ATOM 892 OD1 ASP A 63 8.524 10.427 -6.568 1.00 0.00 O ATOM 893 OD2 ASP A 63 10.564 10.994 -7.156 1.00 0.00 O ATOM 0 H ASP A 63 11.225 6.593 -5.896 1.00 0.00 H new ATOM 0 HA ASP A 63 8.560 7.644 -6.308 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.133 8.911 -4.972 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.353 8.844 -6.228 1.00 0.00 H new ATOM 898 N ASN A 64 8.440 8.079 -8.745 1.00 0.00 N ATOM 899 CA ASN A 64 8.309 8.197 -10.193 1.00 0.00 C ATOM 900 C ASN A 64 8.984 9.468 -10.699 1.00 0.00 C ATOM 901 O ASN A 64 9.642 9.462 -11.738 1.00 0.00 O ATOM 902 CB ASN A 64 6.832 8.195 -10.594 1.00 0.00 C ATOM 903 CG ASN A 64 6.195 6.827 -10.449 1.00 0.00 C ATOM 904 OD1 ASN A 64 5.879 6.449 -9.216 1.00 0.00 O flip ATOM 905 ND2 ASN A 64 5.990 6.118 -11.435 1.00 0.00 N flip ATOM 0 H ASN A 64 7.578 8.255 -8.228 1.00 0.00 H new ATOM 0 HA ASN A 64 8.803 7.339 -10.649 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.290 8.912 -9.977 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.739 8.528 -11.628 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.249 6.449 -12.364 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.561 5.199 -11.322 1.00 0.00 H new ATOM 912 N GLY A 65 8.816 10.557 -9.955 1.00 0.00 N ATOM 913 CA GLY A 65 9.415 11.820 -10.345 1.00 0.00 C ATOM 914 C GLY A 65 8.379 12.869 -10.696 1.00 0.00 C ATOM 915 O GLY A 65 8.629 14.067 -10.560 1.00 0.00 O ATOM 0 H GLY A 65 8.276 10.587 -9.090 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.040 12.189 -9.532 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.069 11.659 -11.202 1.00 0.00 H new ATOM 919 N ASP A 66 7.214 12.420 -11.148 1.00 0.00 N ATOM 920 CA ASP A 66 6.136 13.330 -11.519 1.00 0.00 C ATOM 921 C ASP A 66 5.334 13.753 -10.293 1.00 0.00 C ATOM 922 O ASP A 66 5.055 14.935 -10.099 1.00 0.00 O ATOM 923 CB ASP A 66 5.213 12.668 -12.544 1.00 0.00 C ATOM 924 CG ASP A 66 4.780 11.278 -12.120 1.00 0.00 C ATOM 925 OD1 ASP A 66 5.637 10.371 -12.099 1.00 0.00 O ATOM 926 OD2 ASP A 66 3.583 11.098 -11.812 1.00 0.00 O ATOM 0 H ASP A 66 6.991 11.432 -11.267 1.00 0.00 H new ATOM 0 HA ASP A 66 6.582 14.220 -11.963 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.331 13.291 -12.690 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.725 12.609 -13.505 1.00 0.00 H new ATOM 931 N GLY A 67 4.966 12.778 -9.467 1.00 0.00 N ATOM 932 CA GLY A 67 4.199 13.069 -8.270 1.00 0.00 C ATOM 933 C GLY A 67 3.560 11.830 -7.674 1.00 0.00 C ATOM 934 O GLY A 67 2.495 11.904 -7.062 1.00 0.00 O ATOM 0 H GLY A 67 5.186 11.792 -9.606 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.851 13.530 -7.528 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.422 13.796 -8.508 1.00 0.00 H new ATOM 938 N THR A 68 4.211 10.685 -7.856 1.00 0.00 N ATOM 939 CA THR A 68 3.699 9.424 -7.335 1.00 0.00 C ATOM 940 C THR A 68 4.836 8.515 -6.881 1.00 0.00 C ATOM 941 O THR A 68 6.010 8.859 -7.015 1.00 0.00 O ATOM 942 CB THR A 68 2.853 8.683 -8.389 1.00 0.00 C ATOM 943 OG1 THR A 68 3.677 8.297 -9.495 1.00 0.00 O ATOM 944 CG2 THR A 68 1.712 9.560 -8.881 1.00 0.00 C ATOM 0 H THR A 68 5.094 10.605 -8.360 1.00 0.00 H new ATOM 0 HA THR A 68 3.069 9.667 -6.480 1.00 0.00 H new ATOM 0 HB THR A 68 2.430 7.793 -7.923 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.133 7.825 -10.160 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.129 9.016 -9.624 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.071 9.827 -8.041 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.118 10.466 -9.331 1.00 0.00 H new ATOM 952 N HIS A 69 4.479 7.352 -6.344 1.00 0.00 N ATOM 953 CA HIS A 69 5.470 6.392 -5.871 1.00 0.00 C ATOM 954 C HIS A 69 4.982 4.961 -6.077 1.00 0.00 C ATOM 955 O HIS A 69 3.847 4.625 -5.735 1.00 0.00 O ATOM 956 CB HIS A 69 5.777 6.631 -4.392 1.00 0.00 C ATOM 957 CG HIS A 69 6.047 8.067 -4.061 1.00 0.00 C ATOM 958 ND1 HIS A 69 5.247 9.157 -4.130 1.00 0.00 N flip ATOM 959 CD2 HIS A 69 7.266 8.516 -3.598 1.00 0.00 C flip ATOM 960 CE1 HIS A 69 5.990 10.234 -3.711 1.00 0.00 C flip ATOM 961 NE2 HIS A 69 7.204 9.820 -3.395 1.00 0.00 N flip ATOM 0 H HIS A 69 3.511 7.052 -6.226 1.00 0.00 H new ATOM 0 HA HIS A 69 6.382 6.533 -6.451 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.936 6.281 -3.794 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.642 6.032 -4.108 1.00 0.00 H new ATOM 0 HD1 HIS A 69 4.274 9.175 -4.436 1.00 0.00 H new ATOM 0 HD2 HIS A 69 8.135 7.898 -3.428 1.00 0.00 H new ATOM 0 HE1 HIS A 69 5.639 11.253 -3.650 1.00 0.00 H new ATOM 970 N THR A 70 5.845 4.121 -6.639 1.00 0.00 N ATOM 971 CA THR A 70 5.502 2.728 -6.892 1.00 0.00 C ATOM 972 C THR A 70 5.935 1.836 -5.734 1.00 0.00 C ATOM 973 O THR A 70 6.996 2.040 -5.145 1.00 0.00 O ATOM 974 CB THR A 70 6.151 2.216 -8.192 1.00 0.00 C ATOM 975 OG1 THR A 70 5.549 2.853 -9.324 1.00 0.00 O ATOM 976 CG2 THR A 70 6.003 0.707 -8.312 1.00 0.00 C ATOM 0 H THR A 70 6.788 4.382 -6.928 1.00 0.00 H new ATOM 0 HA THR A 70 4.418 2.683 -6.995 1.00 0.00 H new ATOM 0 HB THR A 70 7.213 2.459 -8.163 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.968 2.523 -10.146 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.469 0.368 -9.237 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.489 0.225 -7.464 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.945 0.445 -8.321 1.00 0.00 H new ATOM 984 N VAL A 71 5.109 0.846 -5.415 1.00 0.00 N ATOM 985 CA VAL A 71 5.409 -0.079 -4.329 1.00 0.00 C ATOM 986 C VAL A 71 5.187 -1.525 -4.760 1.00 0.00 C ATOM 987 O VAL A 71 4.050 -1.985 -4.871 1.00 0.00 O ATOM 988 CB VAL A 71 4.544 0.212 -3.088 1.00 0.00 C ATOM 989 CG1 VAL A 71 4.882 -0.753 -1.962 1.00 0.00 C ATOM 990 CG2 VAL A 71 4.728 1.654 -2.638 1.00 0.00 C ATOM 0 H VAL A 71 4.227 0.664 -5.893 1.00 0.00 H new ATOM 0 HA VAL A 71 6.459 0.064 -4.074 1.00 0.00 H new ATOM 0 HB VAL A 71 3.497 0.068 -3.355 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.261 -0.532 -1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.695 -1.775 -2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.933 -0.645 -1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.110 1.843 -1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.775 1.827 -2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.431 2.327 -3.442 1.00 0.00 H new ATOM 1000 N THR A 72 6.281 -2.239 -5.005 1.00 0.00 N ATOM 1001 CA THR A 72 6.207 -3.633 -5.425 1.00 0.00 C ATOM 1002 C THR A 72 6.332 -4.574 -4.233 1.00 0.00 C ATOM 1003 O THR A 72 7.132 -4.340 -3.325 1.00 0.00 O ATOM 1004 CB THR A 72 7.306 -3.970 -6.450 1.00 0.00 C ATOM 1005 OG1 THR A 72 8.587 -3.576 -5.942 1.00 0.00 O ATOM 1006 CG2 THR A 72 7.045 -3.270 -7.774 1.00 0.00 C ATOM 0 H THR A 72 7.230 -1.874 -4.920 1.00 0.00 H new ATOM 0 HA THR A 72 5.232 -3.771 -5.892 1.00 0.00 H new ATOM 0 HB THR A 72 7.296 -5.047 -6.618 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.281 -3.795 -6.599 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.835 -3.524 -8.481 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.083 -3.593 -8.173 1.00 0.00 H new ATOM 0 HG23 THR A 72 7.030 -2.191 -7.618 1.00 0.00 H new ATOM 1014 N TYR A 73 5.541 -5.641 -4.241 1.00 0.00 N ATOM 1015 CA TYR A 73 5.562 -6.617 -3.158 1.00 0.00 C ATOM 1016 C TYR A 73 4.979 -7.951 -3.617 1.00 0.00 C ATOM 1017 O TYR A 73 4.424 -8.057 -4.711 1.00 0.00 O ATOM 1018 CB TYR A 73 4.781 -6.092 -1.954 1.00 0.00 C ATOM 1019 CG TYR A 73 3.290 -6.323 -2.051 1.00 0.00 C ATOM 1020 CD1 TYR A 73 2.720 -7.509 -1.605 1.00 0.00 C ATOM 1021 CD2 TYR A 73 2.451 -5.356 -2.589 1.00 0.00 C ATOM 1022 CE1 TYR A 73 1.359 -7.725 -1.693 1.00 0.00 C ATOM 1023 CE2 TYR A 73 1.088 -5.562 -2.681 1.00 0.00 C ATOM 1024 CZ TYR A 73 0.547 -6.749 -2.232 1.00 0.00 C ATOM 1025 OH TYR A 73 -0.811 -6.959 -2.320 1.00 0.00 O ATOM 0 H TYR A 73 4.877 -5.852 -4.986 1.00 0.00 H new ATOM 0 HA TYR A 73 6.600 -6.776 -2.866 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.156 -6.573 -1.051 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.968 -5.023 -1.848 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.353 -8.275 -1.182 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.872 -4.426 -2.942 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.933 -8.653 -1.342 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.450 -4.799 -3.102 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.242 -6.162 -2.693 1.00 0.00 H new ATOM 1035 N THR A 74 5.106 -8.966 -2.769 1.00 0.00 N ATOM 1036 CA THR A 74 4.592 -10.294 -3.084 1.00 0.00 C ATOM 1037 C THR A 74 4.114 -11.011 -1.827 1.00 0.00 C ATOM 1038 O THR A 74 4.895 -11.329 -0.930 1.00 0.00 O ATOM 1039 CB THR A 74 5.660 -11.159 -3.780 1.00 0.00 C ATOM 1040 OG1 THR A 74 6.199 -10.460 -4.908 1.00 0.00 O ATOM 1041 CG2 THR A 74 5.070 -12.485 -4.233 1.00 0.00 C ATOM 0 H THR A 74 5.560 -8.895 -1.859 1.00 0.00 H new ATOM 0 HA THR A 74 3.750 -10.154 -3.762 1.00 0.00 H new ATOM 0 HB THR A 74 6.457 -11.359 -3.064 1.00 0.00 H new ATOM 0 HG1 THR A 74 6.878 -11.016 -5.344 1.00 0.00 H new ATOM 0 HG21 THR A 74 5.842 -13.079 -4.722 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.688 -13.028 -3.368 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.256 -12.301 -4.934 1.00 0.00 H new ATOM 1049 N PRO A 75 2.801 -11.274 -1.758 1.00 0.00 N ATOM 1050 CA PRO A 75 2.189 -11.959 -0.615 1.00 0.00 C ATOM 1051 C PRO A 75 2.587 -13.428 -0.539 1.00 0.00 C ATOM 1052 O PRO A 75 1.933 -14.289 -1.128 1.00 0.00 O ATOM 1053 CB PRO A 75 0.688 -11.823 -0.883 1.00 0.00 C ATOM 1054 CG PRO A 75 0.579 -11.670 -2.361 1.00 0.00 C ATOM 1055 CD PRO A 75 1.811 -10.923 -2.791 1.00 0.00 C ATOM 0 HA PRO A 75 2.506 -11.530 0.336 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.143 -12.700 -0.535 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.270 -10.961 -0.364 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.521 -12.642 -2.851 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.324 -11.122 -2.631 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.140 -11.229 -3.784 1.00 0.00 H new ATOM 0 HD3 PRO A 75 1.636 -9.848 -2.831 1.00 0.00 H new ATOM 1063 N SER A 76 3.663 -13.709 0.190 1.00 0.00 N ATOM 1064 CA SER A 76 4.149 -15.075 0.340 1.00 0.00 C ATOM 1065 C SER A 76 2.989 -16.067 0.356 1.00 0.00 C ATOM 1066 O SER A 76 2.911 -16.959 -0.488 1.00 0.00 O ATOM 1067 CB SER A 76 4.967 -15.209 1.625 1.00 0.00 C ATOM 1068 OG SER A 76 5.709 -16.417 1.634 1.00 0.00 O ATOM 0 H SER A 76 4.214 -13.008 0.686 1.00 0.00 H new ATOM 0 HA SER A 76 4.787 -15.303 -0.514 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.646 -14.361 1.718 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.302 -15.181 2.488 1.00 0.00 H new ATOM 0 HG SER A 76 6.225 -16.478 2.465 1.00 0.00 H new ATOM 1074 N GLN A 77 2.092 -15.901 1.322 1.00 0.00 N ATOM 1075 CA GLN A 77 0.936 -16.782 1.449 1.00 0.00 C ATOM 1076 C GLN A 77 -0.364 -15.988 1.371 1.00 0.00 C ATOM 1077 O GLN A 77 -0.380 -14.783 1.615 1.00 0.00 O ATOM 1078 CB GLN A 77 0.999 -17.553 2.768 1.00 0.00 C ATOM 1079 CG GLN A 77 0.909 -16.663 3.998 1.00 0.00 C ATOM 1080 CD GLN A 77 1.546 -17.293 5.221 1.00 0.00 C ATOM 1081 OE1 GLN A 77 2.732 -17.625 5.216 1.00 0.00 O ATOM 1082 NE2 GLN A 77 0.760 -17.460 6.278 1.00 0.00 N ATOM 0 H GLN A 77 2.143 -15.166 2.027 1.00 0.00 H new ATOM 0 HA GLN A 77 0.957 -17.491 0.621 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.186 -18.278 2.794 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.931 -18.117 2.805 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.396 -15.710 3.789 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.138 -16.446 4.209 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.217 -17.170 6.238 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.133 -17.878 7.130 1.00 0.00 H new ATOM 1091 N GLU A 78 -1.450 -16.674 1.029 1.00 0.00 N ATOM 1092 CA GLU A 78 -2.755 -16.031 0.919 1.00 0.00 C ATOM 1093 C GLU A 78 -3.361 -15.789 2.298 1.00 0.00 C ATOM 1094 O GLU A 78 -2.818 -16.226 3.312 1.00 0.00 O ATOM 1095 CB GLU A 78 -3.701 -16.890 0.076 1.00 0.00 C ATOM 1096 CG GLU A 78 -4.021 -18.236 0.703 1.00 0.00 C ATOM 1097 CD GLU A 78 -2.934 -19.265 0.463 1.00 0.00 C ATOM 1098 OE1 GLU A 78 -1.994 -19.338 1.282 1.00 0.00 O ATOM 1099 OE2 GLU A 78 -3.025 -19.998 -0.544 1.00 0.00 O ATOM 0 H GLU A 78 -1.453 -17.673 0.824 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.617 -15.067 0.429 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.630 -16.343 -0.084 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.254 -17.052 -0.905 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.164 -18.108 1.776 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.963 -18.607 0.298 1.00 0.00 H new ATOM 1106 N GLY A 79 -4.492 -15.090 2.327 1.00 0.00 N ATOM 1107 CA GLY A 79 -5.153 -14.801 3.586 1.00 0.00 C ATOM 1108 C GLY A 79 -5.437 -13.323 3.767 1.00 0.00 C ATOM 1109 O GLY A 79 -5.070 -12.493 2.934 1.00 0.00 O ATOM 0 H GLY A 79 -4.962 -14.719 1.501 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.089 -15.356 3.637 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.530 -15.151 4.409 1.00 0.00 H new ATOM 1113 N PRO A 80 -6.105 -12.976 4.877 1.00 0.00 N ATOM 1114 CA PRO A 80 -6.452 -11.587 5.190 1.00 0.00 C ATOM 1115 C PRO A 80 -5.229 -10.749 5.546 1.00 0.00 C ATOM 1116 O PRO A 80 -4.883 -10.605 6.719 1.00 0.00 O ATOM 1117 CB PRO A 80 -7.381 -11.717 6.398 1.00 0.00 C ATOM 1118 CG PRO A 80 -6.995 -13.008 7.035 1.00 0.00 C ATOM 1119 CD PRO A 80 -6.572 -13.913 5.912 1.00 0.00 C ATOM 0 HA PRO A 80 -6.906 -11.079 4.339 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.254 -10.882 7.087 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.428 -11.723 6.094 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.183 -12.864 7.747 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -7.831 -13.436 7.587 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.781 -14.596 6.222 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.400 -14.525 5.556 1.00 0.00 H new ATOM 1127 N TYR A 81 -4.578 -10.198 4.527 1.00 0.00 N ATOM 1128 CA TYR A 81 -3.392 -9.376 4.733 1.00 0.00 C ATOM 1129 C TYR A 81 -3.777 -7.942 5.083 1.00 0.00 C ATOM 1130 O TYR A 81 -4.952 -7.576 5.047 1.00 0.00 O ATOM 1131 CB TYR A 81 -2.513 -9.388 3.482 1.00 0.00 C ATOM 1132 CG TYR A 81 -1.472 -10.485 3.483 1.00 0.00 C ATOM 1133 CD1 TYR A 81 -1.828 -11.807 3.722 1.00 0.00 C ATOM 1134 CD2 TYR A 81 -0.133 -10.200 3.247 1.00 0.00 C ATOM 1135 CE1 TYR A 81 -0.881 -12.813 3.724 1.00 0.00 C ATOM 1136 CE2 TYR A 81 0.821 -11.199 3.248 1.00 0.00 C ATOM 1137 CZ TYR A 81 0.442 -12.504 3.487 1.00 0.00 C ATOM 1138 OH TYR A 81 1.389 -13.501 3.488 1.00 0.00 O ATOM 0 H TYR A 81 -4.852 -10.306 3.550 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.831 -9.797 5.567 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.148 -9.502 2.603 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.013 -8.424 3.391 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.863 -12.052 3.909 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.167 -9.180 3.059 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.175 -13.835 3.910 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.858 -10.960 3.063 1.00 0.00 H new ATOM 0 HH TYR A 81 2.271 -13.115 3.304 1.00 0.00 H new ATOM 1148 N MET A 82 -2.778 -7.134 5.422 1.00 0.00 N ATOM 1149 CA MET A 82 -3.011 -5.738 5.778 1.00 0.00 C ATOM 1150 C MET A 82 -1.815 -4.873 5.393 1.00 0.00 C ATOM 1151 O MET A 82 -0.697 -5.099 5.857 1.00 0.00 O ATOM 1152 CB MET A 82 -3.286 -5.611 7.277 1.00 0.00 C ATOM 1153 CG MET A 82 -3.556 -4.184 7.726 1.00 0.00 C ATOM 1154 SD MET A 82 -4.430 -4.105 9.302 1.00 0.00 S ATOM 1155 CE MET A 82 -3.056 -3.991 10.445 1.00 0.00 C ATOM 0 H MET A 82 -1.800 -7.421 5.458 1.00 0.00 H new ATOM 0 HA MET A 82 -3.883 -5.388 5.226 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.143 -6.233 7.535 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.431 -6.002 7.829 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.610 -3.649 7.812 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.143 -3.672 6.963 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.350 -4.404 11.410 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.209 -4.554 10.053 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.771 -2.946 10.569 1.00 0.00 H new ATOM 1165 N VAL A 83 -2.058 -3.881 4.542 1.00 0.00 N ATOM 1166 CA VAL A 83 -1.001 -2.981 4.096 1.00 0.00 C ATOM 1167 C VAL A 83 -1.178 -1.588 4.691 1.00 0.00 C ATOM 1168 O VAL A 83 -1.984 -0.794 4.207 1.00 0.00 O ATOM 1169 CB VAL A 83 -0.969 -2.871 2.560 1.00 0.00 C ATOM 1170 CG1 VAL A 83 0.057 -1.838 2.119 1.00 0.00 C ATOM 1171 CG2 VAL A 83 -0.675 -4.226 1.935 1.00 0.00 C ATOM 0 H VAL A 83 -2.977 -3.680 4.148 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.058 -3.404 4.442 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.950 -2.543 2.217 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.065 -1.775 1.031 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.203 -0.866 2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.045 -2.133 2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.656 -4.130 0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.293 -4.585 2.284 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.451 -4.935 2.223 1.00 0.00 H new ATOM 1181 N SER A 84 -0.418 -1.300 5.742 1.00 0.00 N ATOM 1182 CA SER A 84 -0.493 -0.002 6.406 1.00 0.00 C ATOM 1183 C SER A 84 0.361 1.031 5.677 1.00 0.00 C ATOM 1184 O SER A 84 1.419 0.709 5.137 1.00 0.00 O ATOM 1185 CB SER A 84 -0.037 -0.124 7.861 1.00 0.00 C ATOM 1186 OG SER A 84 0.211 1.152 8.425 1.00 0.00 O ATOM 0 H SER A 84 0.256 -1.946 6.153 1.00 0.00 H new ATOM 0 HA SER A 84 -1.531 0.331 6.385 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.800 -0.640 8.443 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.867 -0.730 7.913 1.00 0.00 H new ATOM 0 HG SER A 84 0.499 1.048 9.356 1.00 0.00 H new ATOM 1192 N VAL A 85 -0.106 2.275 5.668 1.00 0.00 N ATOM 1193 CA VAL A 85 0.614 3.357 5.008 1.00 0.00 C ATOM 1194 C VAL A 85 0.543 4.642 5.825 1.00 0.00 C ATOM 1195 O VAL A 85 -0.506 4.989 6.370 1.00 0.00 O ATOM 1196 CB VAL A 85 0.054 3.626 3.599 1.00 0.00 C ATOM 1197 CG1 VAL A 85 0.629 4.915 3.032 1.00 0.00 C ATOM 1198 CG2 VAL A 85 0.346 2.452 2.677 1.00 0.00 C ATOM 0 H VAL A 85 -0.980 2.559 6.111 1.00 0.00 H new ATOM 0 HA VAL A 85 1.654 3.040 4.923 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.027 3.741 3.673 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.222 5.088 2.036 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.364 5.749 3.682 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.714 4.833 2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.057 2.659 1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.424 2.303 2.607 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.119 1.551 3.077 1.00 0.00 H new ATOM 1208 N LYS A 86 1.666 5.349 5.904 1.00 0.00 N ATOM 1209 CA LYS A 86 1.733 6.598 6.653 1.00 0.00 C ATOM 1210 C LYS A 86 2.283 7.725 5.784 1.00 0.00 C ATOM 1211 O LYS A 86 2.724 7.493 4.657 1.00 0.00 O ATOM 1212 CB LYS A 86 2.608 6.425 7.896 1.00 0.00 C ATOM 1213 CG LYS A 86 2.188 7.303 9.063 1.00 0.00 C ATOM 1214 CD LYS A 86 2.838 6.853 10.361 1.00 0.00 C ATOM 1215 CE LYS A 86 2.201 7.529 11.565 1.00 0.00 C ATOM 1216 NZ LYS A 86 3.148 7.627 12.711 1.00 0.00 N ATOM 0 H LYS A 86 2.542 5.078 5.458 1.00 0.00 H new ATOM 0 HA LYS A 86 0.722 6.862 6.962 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.578 5.381 8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.642 6.651 7.636 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.461 8.338 8.858 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.104 7.275 9.169 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.747 5.771 10.459 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.903 7.082 10.335 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.865 8.527 11.285 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.317 6.969 11.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.615 7.615 13.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.804 6.821 12.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.687 8.514 12.641 1.00 0.00 H new ATOM 1230 N TYR A 87 2.255 8.942 6.314 1.00 0.00 N ATOM 1231 CA TYR A 87 2.750 10.104 5.585 1.00 0.00 C ATOM 1232 C TYR A 87 3.062 11.252 6.539 1.00 0.00 C ATOM 1233 O TYR A 87 2.159 11.866 7.107 1.00 0.00 O ATOM 1234 CB TYR A 87 1.723 10.555 4.544 1.00 0.00 C ATOM 1235 CG TYR A 87 2.338 11.240 3.345 1.00 0.00 C ATOM 1236 CD1 TYR A 87 2.957 10.503 2.342 1.00 0.00 C ATOM 1237 CD2 TYR A 87 2.300 12.622 3.214 1.00 0.00 C ATOM 1238 CE1 TYR A 87 3.521 11.124 1.244 1.00 0.00 C ATOM 1239 CE2 TYR A 87 2.860 13.252 2.119 1.00 0.00 C ATOM 1240 CZ TYR A 87 3.469 12.499 1.137 1.00 0.00 C ATOM 1241 OH TYR A 87 4.029 13.121 0.045 1.00 0.00 O ATOM 0 H TYR A 87 1.895 9.150 7.245 1.00 0.00 H new ATOM 0 HA TYR A 87 3.671 9.818 5.076 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.156 9.688 4.205 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.014 11.235 5.016 1.00 0.00 H new ATOM 0 HD1 TYR A 87 2.998 9.427 2.422 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.824 13.215 3.981 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.000 10.537 0.474 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.821 14.328 2.033 1.00 0.00 H new ATOM 0 HH TYR A 87 4.949 13.385 0.255 1.00 0.00 H new ATOM 1251 N ALA A 88 4.349 11.539 6.709 1.00 0.00 N ATOM 1252 CA ALA A 88 4.782 12.616 7.591 1.00 0.00 C ATOM 1253 C ALA A 88 4.382 12.335 9.036 1.00 0.00 C ATOM 1254 O ALA A 88 4.003 13.246 9.773 1.00 0.00 O ATOM 1255 CB ALA A 88 4.199 13.944 7.129 1.00 0.00 C ATOM 0 H ALA A 88 5.110 11.040 6.247 1.00 0.00 H new ATOM 0 HA ALA A 88 5.870 12.674 7.546 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.531 14.739 7.797 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.538 14.157 6.115 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.111 13.888 7.144 1.00 0.00 H new ATOM 1261 N ASP A 89 4.469 11.071 9.434 1.00 0.00 N ATOM 1262 CA ASP A 89 4.117 10.671 10.792 1.00 0.00 C ATOM 1263 C ASP A 89 2.619 10.823 11.032 1.00 0.00 C ATOM 1264 O ASP A 89 2.188 11.153 12.136 1.00 0.00 O ATOM 1265 CB ASP A 89 4.896 11.503 11.810 1.00 0.00 C ATOM 1266 CG ASP A 89 6.383 11.539 11.514 1.00 0.00 C ATOM 1267 OD1 ASP A 89 6.786 12.265 10.581 1.00 0.00 O ATOM 1268 OD2 ASP A 89 7.144 10.839 12.215 1.00 0.00 O ATOM 0 H ASP A 89 4.780 10.305 8.836 1.00 0.00 H new ATOM 0 HA ASP A 89 4.382 9.621 10.915 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.506 12.521 11.818 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.737 11.093 12.807 1.00 0.00 H new ATOM 1273 N GLU A 90 1.830 10.580 9.990 1.00 0.00 N ATOM 1274 CA GLU A 90 0.379 10.693 10.088 1.00 0.00 C ATOM 1275 C GLU A 90 -0.308 9.632 9.233 1.00 0.00 C ATOM 1276 O GLU A 90 -0.350 9.738 8.008 1.00 0.00 O ATOM 1277 CB GLU A 90 -0.077 12.088 9.653 1.00 0.00 C ATOM 1278 CG GLU A 90 0.364 13.194 10.597 1.00 0.00 C ATOM 1279 CD GLU A 90 -0.538 14.411 10.531 1.00 0.00 C ATOM 1280 OE1 GLU A 90 -1.563 14.430 11.244 1.00 0.00 O ATOM 1281 OE2 GLU A 90 -0.219 15.345 9.765 1.00 0.00 O ATOM 0 H GLU A 90 2.171 10.304 9.069 1.00 0.00 H new ATOM 0 HA GLU A 90 0.097 10.535 11.129 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.314 12.295 8.657 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.164 12.099 9.577 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.378 12.811 11.618 1.00 0.00 H new ATOM 0 HG3 GLU A 90 1.385 13.489 10.353 1.00 0.00 H new ATOM 1288 N GLU A 91 -0.844 8.609 9.890 1.00 0.00 N ATOM 1289 CA GLU A 91 -1.528 7.526 9.191 1.00 0.00 C ATOM 1290 C GLU A 91 -2.633 8.073 8.292 1.00 0.00 C ATOM 1291 O GLU A 91 -3.642 8.589 8.773 1.00 0.00 O ATOM 1292 CB GLU A 91 -2.118 6.533 10.194 1.00 0.00 C ATOM 1293 CG GLU A 91 -1.201 5.360 10.498 1.00 0.00 C ATOM 1294 CD GLU A 91 -1.551 4.669 11.802 1.00 0.00 C ATOM 1295 OE1 GLU A 91 -1.331 5.272 12.872 1.00 0.00 O ATOM 1296 OE2 GLU A 91 -2.045 3.523 11.751 1.00 0.00 O ATOM 0 H GLU A 91 -0.818 8.507 10.905 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.796 7.011 8.569 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.343 7.058 11.122 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.063 6.154 9.805 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.257 4.639 9.683 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.170 5.711 10.543 1.00 0.00 H new ATOM 1303 N ILE A 92 -2.435 7.957 6.983 1.00 0.00 N ATOM 1304 CA ILE A 92 -3.413 8.439 6.016 1.00 0.00 C ATOM 1305 C ILE A 92 -4.813 7.940 6.356 1.00 0.00 C ATOM 1306 O ILE A 92 -4.993 6.892 6.977 1.00 0.00 O ATOM 1307 CB ILE A 92 -3.057 7.996 4.585 1.00 0.00 C ATOM 1308 CG1 ILE A 92 -2.992 6.469 4.501 1.00 0.00 C ATOM 1309 CG2 ILE A 92 -1.734 8.611 4.155 1.00 0.00 C ATOM 1310 CD1 ILE A 92 -2.819 5.948 3.092 1.00 0.00 C ATOM 0 H ILE A 92 -1.605 7.533 6.568 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.395 9.528 6.065 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.836 8.346 3.908 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.164 6.114 5.115 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.905 6.051 4.925 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.495 8.289 3.141 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.812 9.698 4.181 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.945 8.288 4.834 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.781 4.859 3.109 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.659 6.272 2.478 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.892 6.337 2.672 1.00 0.00 H new ATOM 1322 N PRO A 93 -5.832 8.706 5.939 1.00 0.00 N ATOM 1323 CA PRO A 93 -7.235 8.361 6.186 1.00 0.00 C ATOM 1324 C PRO A 93 -7.685 7.150 5.376 1.00 0.00 C ATOM 1325 O PRO A 93 -8.855 6.768 5.411 1.00 0.00 O ATOM 1326 CB PRO A 93 -7.993 9.613 5.740 1.00 0.00 C ATOM 1327 CG PRO A 93 -7.097 10.264 4.742 1.00 0.00 C ATOM 1328 CD PRO A 93 -5.693 9.967 5.193 1.00 0.00 C ATOM 0 HA PRO A 93 -7.410 8.089 7.227 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.956 9.356 5.299 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.194 10.275 6.582 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.277 9.872 3.741 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.275 11.339 4.700 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.014 9.860 4.347 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.296 10.764 5.822 1.00 0.00 H new ATOM 1336 N ARG A 94 -6.750 6.549 4.647 1.00 0.00 N ATOM 1337 CA ARG A 94 -7.051 5.382 3.828 1.00 0.00 C ATOM 1338 C ARG A 94 -6.325 4.147 4.354 1.00 0.00 C ATOM 1339 O ARG A 94 -6.478 3.050 3.819 1.00 0.00 O ATOM 1340 CB ARG A 94 -6.656 5.638 2.373 1.00 0.00 C ATOM 1341 CG ARG A 94 -7.487 6.717 1.698 1.00 0.00 C ATOM 1342 CD ARG A 94 -8.806 6.164 1.183 1.00 0.00 C ATOM 1343 NE ARG A 94 -8.637 5.406 -0.053 1.00 0.00 N ATOM 1344 CZ ARG A 94 -9.611 4.706 -0.626 1.00 0.00 C ATOM 1345 NH1 ARG A 94 -10.817 4.669 -0.076 1.00 0.00 N ATOM 1346 NH2 ARG A 94 -9.379 4.042 -1.751 1.00 0.00 N ATOM 0 H ARG A 94 -5.777 6.852 4.607 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.125 5.200 3.879 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.605 5.924 2.336 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.754 4.710 1.810 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.681 7.524 2.405 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.923 7.147 0.870 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.252 5.523 1.943 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.501 6.986 1.012 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.721 5.414 -0.502 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.999 5.178 0.789 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.563 4.131 -0.518 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.453 4.068 -2.177 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.127 3.505 -2.190 1.00 0.00 H new ATOM 1360 N SER A 95 -5.533 4.334 5.405 1.00 0.00 N ATOM 1361 CA SER A 95 -4.780 3.237 6.000 1.00 0.00 C ATOM 1362 C SER A 95 -5.283 2.934 7.408 1.00 0.00 C ATOM 1363 O SER A 95 -5.822 3.797 8.102 1.00 0.00 O ATOM 1364 CB SER A 95 -3.289 3.577 6.042 1.00 0.00 C ATOM 1365 OG SER A 95 -2.659 2.974 7.159 1.00 0.00 O ATOM 0 H SER A 95 -5.396 5.236 5.862 1.00 0.00 H new ATOM 0 HA SER A 95 -4.926 2.351 5.382 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.810 3.238 5.124 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.161 4.658 6.088 1.00 0.00 H new ATOM 0 HG SER A 95 -2.025 3.606 7.558 1.00 0.00 H new ATOM 1371 N PRO A 96 -5.104 1.678 7.842 1.00 0.00 N ATOM 1372 CA PRO A 96 -4.464 0.642 7.026 1.00 0.00 C ATOM 1373 C PRO A 96 -5.332 0.215 5.847 1.00 0.00 C ATOM 1374 O PRO A 96 -6.467 0.668 5.703 1.00 0.00 O ATOM 1375 CB PRO A 96 -4.282 -0.521 8.004 1.00 0.00 C ATOM 1376 CG PRO A 96 -5.340 -0.317 9.034 1.00 0.00 C ATOM 1377 CD PRO A 96 -5.511 1.170 9.163 1.00 0.00 C ATOM 0 HA PRO A 96 -3.532 0.992 6.582 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.397 -1.482 7.503 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.288 -0.511 8.450 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.274 -0.793 8.734 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -5.048 -0.760 9.986 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.542 1.437 9.396 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.889 1.578 9.959 1.00 0.00 H new ATOM 1385 N PHE A 97 -4.790 -0.660 5.006 1.00 0.00 N ATOM 1386 CA PHE A 97 -5.515 -1.147 3.838 1.00 0.00 C ATOM 1387 C PHE A 97 -5.767 -2.649 3.942 1.00 0.00 C ATOM 1388 O PHE A 97 -4.830 -3.446 3.994 1.00 0.00 O ATOM 1389 CB PHE A 97 -4.734 -0.838 2.559 1.00 0.00 C ATOM 1390 CG PHE A 97 -4.693 0.625 2.221 1.00 0.00 C ATOM 1391 CD1 PHE A 97 -5.721 1.211 1.501 1.00 0.00 C ATOM 1392 CD2 PHE A 97 -3.627 1.413 2.623 1.00 0.00 C ATOM 1393 CE1 PHE A 97 -5.687 2.557 1.188 1.00 0.00 C ATOM 1394 CE2 PHE A 97 -3.588 2.760 2.314 1.00 0.00 C ATOM 1395 CZ PHE A 97 -4.618 3.332 1.594 1.00 0.00 C ATOM 0 H PHE A 97 -3.852 -1.046 5.111 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.477 -0.635 3.800 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.714 -1.206 2.668 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.183 -1.382 1.728 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.559 0.609 1.180 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.817 0.970 3.184 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.495 3.002 0.627 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.753 3.364 2.636 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.588 4.383 1.349 1.00 0.00 H new ATOM 1405 N LYS A 98 -7.040 -3.028 3.975 1.00 0.00 N ATOM 1406 CA LYS A 98 -7.419 -4.433 4.072 1.00 0.00 C ATOM 1407 C LYS A 98 -7.299 -5.124 2.717 1.00 0.00 C ATOM 1408 O LYS A 98 -8.112 -4.899 1.821 1.00 0.00 O ATOM 1409 CB LYS A 98 -8.849 -4.561 4.598 1.00 0.00 C ATOM 1410 CG LYS A 98 -8.982 -4.264 6.082 1.00 0.00 C ATOM 1411 CD LYS A 98 -10.409 -3.896 6.452 1.00 0.00 C ATOM 1412 CE LYS A 98 -10.508 -3.434 7.898 1.00 0.00 C ATOM 1413 NZ LYS A 98 -10.354 -4.566 8.853 1.00 0.00 N ATOM 0 H LYS A 98 -7.828 -2.381 3.936 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.738 -4.920 4.769 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.494 -3.881 4.041 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.209 -5.572 4.405 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.669 -5.135 6.658 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.313 -3.447 6.352 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.765 -3.106 5.791 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -11.059 -4.757 6.299 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.739 -2.686 8.094 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.471 -2.951 8.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.427 -4.210 9.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.102 -5.268 8.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.424 -5.012 8.716 1.00 0.00 H new ATOM 1427 N VAL A 99 -6.282 -5.968 2.577 1.00 0.00 N ATOM 1428 CA VAL A 99 -6.058 -6.694 1.332 1.00 0.00 C ATOM 1429 C VAL A 99 -6.128 -8.201 1.555 1.00 0.00 C ATOM 1430 O VAL A 99 -5.188 -8.807 2.069 1.00 0.00 O ATOM 1431 CB VAL A 99 -4.692 -6.340 0.714 1.00 0.00 C ATOM 1432 CG1 VAL A 99 -4.464 -7.133 -0.565 1.00 0.00 C ATOM 1433 CG2 VAL A 99 -4.599 -4.845 0.447 1.00 0.00 C ATOM 0 H VAL A 99 -5.600 -6.166 3.310 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.848 -6.394 0.644 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.910 -6.608 1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.494 -6.870 -0.988 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.485 -8.199 -0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.249 -6.898 -1.284 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.627 -4.613 0.011 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.388 -4.549 -0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.715 -4.300 1.384 1.00 0.00 H new ATOM 1443 N LYS A 100 -7.248 -8.800 1.164 1.00 0.00 N ATOM 1444 CA LYS A 100 -7.442 -10.236 1.318 1.00 0.00 C ATOM 1445 C LYS A 100 -6.808 -10.998 0.159 1.00 0.00 C ATOM 1446 O LYS A 100 -7.381 -11.087 -0.927 1.00 0.00 O ATOM 1447 CB LYS A 100 -8.934 -10.564 1.402 1.00 0.00 C ATOM 1448 CG LYS A 100 -9.220 -12.022 1.721 1.00 0.00 C ATOM 1449 CD LYS A 100 -10.693 -12.251 2.010 1.00 0.00 C ATOM 1450 CE LYS A 100 -11.526 -12.196 0.738 1.00 0.00 C ATOM 1451 NZ LYS A 100 -11.209 -13.324 -0.182 1.00 0.00 N ATOM 0 H LYS A 100 -8.036 -8.312 0.738 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.956 -10.546 2.243 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.393 -9.937 2.166 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.407 -10.309 0.454 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.912 -12.646 0.882 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.627 -12.330 2.582 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.824 -13.221 2.490 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -11.049 -11.497 2.712 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -12.585 -12.224 0.996 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -11.347 -11.250 0.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -11.986 -13.447 -0.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.329 -13.116 -0.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.090 -14.198 0.369 1.00 0.00 H new ATOM 1465 N VAL A 101 -5.622 -11.550 0.397 1.00 0.00 N ATOM 1466 CA VAL A 101 -4.912 -12.307 -0.627 1.00 0.00 C ATOM 1467 C VAL A 101 -5.627 -13.618 -0.938 1.00 0.00 C ATOM 1468 O VAL A 101 -6.211 -14.243 -0.052 1.00 0.00 O ATOM 1469 CB VAL A 101 -3.466 -12.614 -0.196 1.00 0.00 C ATOM 1470 CG1 VAL A 101 -2.712 -13.317 -1.315 1.00 0.00 C ATOM 1471 CG2 VAL A 101 -2.751 -11.338 0.219 1.00 0.00 C ATOM 0 H VAL A 101 -5.133 -11.487 1.290 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.893 -11.686 -1.523 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.497 -13.282 0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.692 -13.526 -0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.214 -14.253 -1.560 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.689 -12.676 -2.197 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.731 -11.574 0.520 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.730 -10.643 -0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.280 -10.880 1.055 1.00 0.00 H new ATOM 1481 N LEU A 102 -5.578 -14.027 -2.200 1.00 0.00 N ATOM 1482 CA LEU A 102 -6.221 -15.264 -2.628 1.00 0.00 C ATOM 1483 C LEU A 102 -5.183 -16.311 -3.021 1.00 0.00 C ATOM 1484 O LEU A 102 -4.057 -15.991 -3.405 1.00 0.00 O ATOM 1485 CB LEU A 102 -7.159 -14.994 -3.807 1.00 0.00 C ATOM 1486 CG LEU A 102 -8.469 -14.281 -3.472 1.00 0.00 C ATOM 1487 CD1 LEU A 102 -9.183 -13.850 -4.744 1.00 0.00 C ATOM 1488 CD2 LEU A 102 -9.366 -15.179 -2.632 1.00 0.00 C ATOM 0 H LEU A 102 -5.100 -13.520 -2.945 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.801 -15.650 -1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.622 -14.397 -4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.398 -15.946 -4.281 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.236 -13.389 -2.891 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -10.113 -13.344 -4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.544 -13.169 -5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.404 -14.727 -5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.294 -14.655 -2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.591 -16.090 -3.187 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.856 -15.436 -1.704 1.00 0.00 H new ATOM 1500 N PRO A 103 -5.568 -17.592 -2.923 1.00 0.00 N ATOM 1501 CA PRO A 103 -4.686 -18.712 -3.266 1.00 0.00 C ATOM 1502 C PRO A 103 -4.420 -18.802 -4.764 1.00 0.00 C ATOM 1503 O PRO A 103 -5.349 -18.903 -5.566 1.00 0.00 O ATOM 1504 CB PRO A 103 -5.466 -19.938 -2.786 1.00 0.00 C ATOM 1505 CG PRO A 103 -6.894 -19.512 -2.810 1.00 0.00 C ATOM 1506 CD PRO A 103 -6.895 -18.046 -2.473 1.00 0.00 C ATOM 0 HA PRO A 103 -3.702 -18.611 -2.809 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.297 -20.795 -3.438 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.158 -20.235 -1.783 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.337 -19.687 -3.790 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.482 -20.079 -2.088 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -7.697 -17.516 -2.987 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -7.036 -17.879 -1.405 1.00 0.00 H new ATOM 1514 N THR A 104 -3.144 -18.769 -5.138 1.00 0.00 N ATOM 1515 CA THR A 104 -2.756 -18.847 -6.540 1.00 0.00 C ATOM 1516 C THR A 104 -3.677 -19.783 -7.315 1.00 0.00 C ATOM 1517 O THR A 104 -3.914 -19.589 -8.507 1.00 0.00 O ATOM 1518 CB THR A 104 -1.302 -19.331 -6.695 1.00 0.00 C ATOM 1519 OG1 THR A 104 -0.401 -18.357 -6.158 1.00 0.00 O ATOM 1520 CG2 THR A 104 -0.969 -19.587 -8.157 1.00 0.00 C ATOM 0 H THR A 104 -2.362 -18.689 -4.488 1.00 0.00 H new ATOM 0 HA THR A 104 -2.841 -17.839 -6.947 1.00 0.00 H new ATOM 0 HB THR A 104 -1.194 -20.266 -6.146 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.876 -17.510 -6.026 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.063 -19.928 -8.241 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.637 -20.351 -8.554 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.094 -18.665 -8.725 1.00 0.00 H new ATOM 1528 N TYR A 105 -4.193 -20.796 -6.629 1.00 0.00 N ATOM 1529 CA TYR A 105 -5.087 -21.764 -7.254 1.00 0.00 C ATOM 1530 C TYR A 105 -6.520 -21.240 -7.286 1.00 0.00 C ATOM 1531 O TYR A 105 -6.990 -20.624 -6.330 1.00 0.00 O ATOM 1532 CB TYR A 105 -5.037 -23.095 -6.503 1.00 0.00 C ATOM 1533 CG TYR A 105 -3.646 -23.489 -6.061 1.00 0.00 C ATOM 1534 CD1 TYR A 105 -2.599 -23.562 -6.972 1.00 0.00 C ATOM 1535 CD2 TYR A 105 -3.376 -23.786 -4.731 1.00 0.00 C ATOM 1536 CE1 TYR A 105 -1.328 -23.921 -6.573 1.00 0.00 C ATOM 1537 CE2 TYR A 105 -2.106 -24.145 -4.322 1.00 0.00 C ATOM 1538 CZ TYR A 105 -1.085 -24.212 -5.247 1.00 0.00 C ATOM 1539 OH TYR A 105 0.181 -24.569 -4.844 1.00 0.00 O ATOM 0 H TYR A 105 -4.008 -20.969 -5.641 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.752 -21.920 -8.280 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -5.683 -23.033 -5.628 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -5.441 -23.879 -7.143 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.784 -23.334 -8.011 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -4.173 -23.735 -4.004 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -0.527 -23.974 -7.296 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -1.914 -24.372 -3.284 1.00 0.00 H new ATOM 0 HH TYR A 105 0.181 -24.740 -3.879 1.00 0.00 H new