USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 458 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 10 LYS NZ :NH3+ 180:sc= 1.23 (180deg=0) USER MOD Set 1.2: A 57 THR OG1 : rot 180:sc= 1.01 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 8:sc= 0.883 USER MOD Single : A 4 ASN : amide:sc= -0.66 K(o=-0.66,f=-3.1) USER MOD Single : A 5 MET CE :methyl 172:sc= -1.41 (180deg=-1.54!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc=-0.00921 K(o=-0.0092,f=-0.69) USER MOD Single : A 13 TYR OH : rot -137:sc= 1.28 USER MOD Single : A 14 MET CE :methyl 158:sc= -0.168 (180deg=-0.795) USER MOD Single : A 22 SER OG : rot 47:sc= 0.167 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -59:sc= 1.18 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -161:sc= -0.506 (180deg=-1.31!) USER MOD Single : A 34 LYS NZ :NH3+ -155:sc= 0.659 (180deg=-0.461!) USER MOD Single : A 35 CYS SG : rot 117:sc= 0.163 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -130:sc= -2.91! USER MOD Single : A 44 TYR OH : rot 180:sc= -0.747 USER MOD Single : A 45 ASN : amide:sc= -0.0642 K(o=-0.064,f=-1.4) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 53 SER OG : rot -148:sc= 0.606 USER MOD Single : A 54 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.11) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.382 1.552 2.678 1.00 0.00 N ATOM 2 CA GLY A 1 -20.010 1.296 1.261 1.00 0.00 C ATOM 3 C GLY A 1 -18.585 0.802 1.125 1.00 0.00 C ATOM 4 O GLY A 1 -17.702 1.560 0.713 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.365 1.888 2.724 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.291 0.672 3.225 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.750 2.275 3.078 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.691 0.558 0.836 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.132 2.212 0.684 1.00 0.00 H new ATOM 8 N SER A 2 -18.382 -0.476 1.464 1.00 0.00 N ATOM 9 CA SER A 2 -17.065 -1.134 1.484 1.00 0.00 C ATOM 10 C SER A 2 -16.050 -0.381 2.356 1.00 0.00 C ATOM 11 O SER A 2 -16.333 0.695 2.889 1.00 0.00 O ATOM 12 CB SER A 2 -16.515 -1.353 0.062 1.00 0.00 C ATOM 13 OG SER A 2 -16.308 -0.134 -0.632 1.00 0.00 O ATOM 0 H SER A 2 -19.143 -1.097 1.738 1.00 0.00 H new ATOM 0 HA SER A 2 -17.217 -2.113 1.938 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.574 -1.899 0.120 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.210 -1.975 -0.502 1.00 0.00 H new ATOM 0 HG SER A 2 -16.447 0.619 -0.020 1.00 0.00 H new ATOM 19 N LEU A 3 -14.871 -0.967 2.522 1.00 0.00 N ATOM 20 CA LEU A 3 -13.832 -0.353 3.331 1.00 0.00 C ATOM 21 C LEU A 3 -13.033 0.642 2.501 1.00 0.00 C ATOM 22 O LEU A 3 -13.170 0.687 1.279 1.00 0.00 O ATOM 23 CB LEU A 3 -12.901 -1.405 3.947 1.00 0.00 C ATOM 24 CG LEU A 3 -13.481 -2.221 5.112 1.00 0.00 C ATOM 25 CD1 LEU A 3 -14.061 -1.305 6.178 1.00 0.00 C ATOM 26 CD2 LEU A 3 -14.535 -3.206 4.627 1.00 0.00 C ATOM 0 H LEU A 3 -14.613 -1.863 2.108 1.00 0.00 H new ATOM 0 HA LEU A 3 -14.319 0.178 4.149 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -12.597 -2.097 3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -11.999 -0.903 4.296 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.664 -2.792 5.553 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -14.466 -1.905 6.993 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -13.277 -0.653 6.563 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -14.856 -0.699 5.744 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -14.926 -3.768 5.475 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -15.348 -2.662 4.147 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -14.087 -3.895 3.911 1.00 0.00 H new ATOM 38 N ASN A 4 -12.167 1.390 3.177 1.00 0.00 N ATOM 39 CA ASN A 4 -11.468 2.541 2.597 1.00 0.00 C ATOM 40 C ASN A 4 -10.585 3.182 3.659 1.00 0.00 C ATOM 41 O ASN A 4 -10.878 4.275 4.145 1.00 0.00 O ATOM 42 CB ASN A 4 -12.458 3.591 2.068 1.00 0.00 C ATOM 43 CG ASN A 4 -12.757 3.452 0.588 1.00 0.00 C ATOM 44 OD1 ASN A 4 -11.892 3.083 -0.206 1.00 0.00 O ATOM 45 ND2 ASN A 4 -13.993 3.727 0.208 1.00 0.00 N ATOM 0 H ASN A 4 -11.925 1.216 4.153 1.00 0.00 H new ATOM 0 HA ASN A 4 -10.865 2.185 1.762 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -13.390 3.513 2.627 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -12.055 4.586 2.257 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -14.257 3.636 -0.773 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -14.682 4.030 0.896 1.00 0.00 H new ATOM 52 N MET A 5 -9.531 2.488 4.044 1.00 0.00 N ATOM 53 CA MET A 5 -8.645 2.961 5.097 1.00 0.00 C ATOM 54 C MET A 5 -7.436 3.670 4.494 1.00 0.00 C ATOM 55 O MET A 5 -6.680 3.072 3.735 1.00 0.00 O ATOM 56 CB MET A 5 -8.175 1.779 5.951 1.00 0.00 C ATOM 57 CG MET A 5 -7.425 2.188 7.208 1.00 0.00 C ATOM 58 SD MET A 5 -8.481 3.037 8.397 1.00 0.00 S ATOM 59 CE MET A 5 -7.320 3.303 9.734 1.00 0.00 C ATOM 0 H MET A 5 -9.264 1.589 3.642 1.00 0.00 H new ATOM 0 HA MET A 5 -9.192 3.666 5.723 1.00 0.00 H new ATOM 0 HB2 MET A 5 -9.041 1.181 6.235 1.00 0.00 H new ATOM 0 HB3 MET A 5 -7.531 1.140 5.347 1.00 0.00 H new ATOM 0 HG2 MET A 5 -6.996 1.302 7.676 1.00 0.00 H new ATOM 0 HG3 MET A 5 -6.594 2.839 6.936 1.00 0.00 H new ATOM 0 HE1 MET A 5 -7.776 3.942 10.490 1.00 0.00 H new ATOM 0 HE2 MET A 5 -7.054 2.345 10.181 1.00 0.00 H new ATOM 0 HE3 MET A 5 -6.422 3.784 9.346 1.00 0.00 H new ATOM 69 N PRO A 6 -7.248 4.957 4.800 1.00 0.00 N ATOM 70 CA PRO A 6 -6.091 5.710 4.319 1.00 0.00 C ATOM 71 C PRO A 6 -4.800 5.200 4.950 1.00 0.00 C ATOM 72 O PRO A 6 -4.747 4.960 6.155 1.00 0.00 O ATOM 73 CB PRO A 6 -6.374 7.152 4.762 1.00 0.00 C ATOM 74 CG PRO A 6 -7.808 7.173 5.179 1.00 0.00 C ATOM 75 CD PRO A 6 -8.130 5.780 5.633 1.00 0.00 C ATOM 0 HA PRO A 6 -5.956 5.616 3.241 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -5.722 7.443 5.586 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -6.193 7.854 3.948 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.970 7.892 5.982 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.450 7.471 4.350 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.927 5.643 6.695 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.180 5.535 5.475 1.00 0.00 H new ATOM 83 N ALA A 7 -3.773 5.017 4.138 1.00 0.00 N ATOM 84 CA ALA A 7 -2.501 4.533 4.641 1.00 0.00 C ATOM 85 C ALA A 7 -1.348 5.321 4.045 1.00 0.00 C ATOM 86 O ALA A 7 -1.237 5.460 2.829 1.00 0.00 O ATOM 87 CB ALA A 7 -2.339 3.052 4.347 1.00 0.00 C ATOM 0 H ALA A 7 -3.795 5.195 3.134 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.489 4.675 5.722 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.379 2.708 4.732 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.144 2.495 4.828 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.378 2.888 3.270 1.00 0.00 H new ATOM 93 N TYR A 8 -0.495 5.824 4.911 1.00 0.00 N ATOM 94 CA TYR A 8 0.649 6.614 4.505 1.00 0.00 C ATOM 95 C TYR A 8 1.828 5.698 4.211 1.00 0.00 C ATOM 96 O TYR A 8 2.133 4.809 4.999 1.00 0.00 O ATOM 97 CB TYR A 8 1.003 7.605 5.619 1.00 0.00 C ATOM 98 CG TYR A 8 -0.178 8.431 6.082 1.00 0.00 C ATOM 99 CD1 TYR A 8 -0.999 9.087 5.171 1.00 0.00 C ATOM 100 CD2 TYR A 8 -0.475 8.547 7.433 1.00 0.00 C ATOM 101 CE1 TYR A 8 -2.080 9.834 5.597 1.00 0.00 C ATOM 102 CE2 TYR A 8 -1.555 9.293 7.865 1.00 0.00 C ATOM 103 CZ TYR A 8 -2.354 9.932 6.944 1.00 0.00 C ATOM 104 OH TYR A 8 -3.432 10.670 7.369 1.00 0.00 O ATOM 0 H TYR A 8 -0.575 5.697 5.920 1.00 0.00 H new ATOM 0 HA TYR A 8 0.409 7.171 3.599 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.409 7.056 6.469 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.789 8.273 5.266 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.788 9.011 4.114 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.148 8.046 8.159 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.708 10.339 4.878 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.771 9.374 8.920 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.486 10.637 8.347 1.00 0.00 H new ATOM 114 N VAL A 9 2.476 5.898 3.077 1.00 0.00 N ATOM 115 CA VAL A 9 3.576 5.030 2.669 1.00 0.00 C ATOM 116 C VAL A 9 4.821 5.269 3.525 1.00 0.00 C ATOM 117 O VAL A 9 5.254 6.407 3.706 1.00 0.00 O ATOM 118 CB VAL A 9 3.927 5.220 1.179 1.00 0.00 C ATOM 119 CG1 VAL A 9 5.157 4.409 0.815 1.00 0.00 C ATOM 120 CG2 VAL A 9 2.757 4.822 0.290 1.00 0.00 C ATOM 0 H VAL A 9 2.264 6.650 2.422 1.00 0.00 H new ATOM 0 HA VAL A 9 3.238 4.004 2.818 1.00 0.00 H new ATOM 0 HB VAL A 9 4.140 6.276 1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.390 4.555 -0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.001 4.736 1.422 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.964 3.352 1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.029 4.965 -0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.510 3.774 0.461 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.892 5.442 0.528 1.00 0.00 H new ATOM 130 N LYS A 10 5.382 4.186 4.049 1.00 0.00 N ATOM 131 CA LYS A 10 6.575 4.263 4.890 1.00 0.00 C ATOM 132 C LYS A 10 7.826 4.496 4.050 1.00 0.00 C ATOM 133 O LYS A 10 8.565 5.453 4.269 1.00 0.00 O ATOM 134 CB LYS A 10 6.771 2.978 5.699 1.00 0.00 C ATOM 135 CG LYS A 10 5.738 2.721 6.772 1.00 0.00 C ATOM 136 CD LYS A 10 6.268 1.667 7.725 1.00 0.00 C ATOM 137 CE LYS A 10 5.193 1.094 8.617 1.00 0.00 C ATOM 138 NZ LYS A 10 4.643 2.098 9.560 1.00 0.00 N ATOM 0 H LYS A 10 5.030 3.239 3.907 1.00 0.00 H new ATOM 0 HA LYS A 10 6.425 5.102 5.569 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.773 2.133 5.011 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.755 3.010 6.167 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.520 3.642 7.313 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.803 2.386 6.322 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.726 0.861 7.151 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.053 2.104 8.343 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.386 0.699 8.000 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.602 0.256 9.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.909 1.655 10.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.406 2.457 10.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.227 2.886 9.024 1.00 0.00 H new ATOM 152 N PHE A 11 8.054 3.608 3.087 1.00 0.00 N ATOM 153 CA PHE A 11 9.279 3.629 2.297 1.00 0.00 C ATOM 154 C PHE A 11 8.974 3.496 0.809 1.00 0.00 C ATOM 155 O PHE A 11 7.894 3.047 0.423 1.00 0.00 O ATOM 156 CB PHE A 11 10.220 2.493 2.724 1.00 0.00 C ATOM 157 CG PHE A 11 10.614 2.525 4.176 1.00 0.00 C ATOM 158 CD1 PHE A 11 11.541 3.446 4.637 1.00 0.00 C ATOM 159 CD2 PHE A 11 10.062 1.628 5.080 1.00 0.00 C ATOM 160 CE1 PHE A 11 11.908 3.474 5.971 1.00 0.00 C ATOM 161 CE2 PHE A 11 10.425 1.653 6.413 1.00 0.00 C ATOM 162 CZ PHE A 11 11.351 2.577 6.859 1.00 0.00 C ATOM 0 H PHE A 11 7.404 2.863 2.835 1.00 0.00 H new ATOM 0 HA PHE A 11 9.766 4.588 2.475 1.00 0.00 H new ATOM 0 HB2 PHE A 11 9.738 1.539 2.512 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.122 2.536 2.114 1.00 0.00 H new ATOM 0 HD1 PHE A 11 11.982 4.150 3.947 1.00 0.00 H new ATOM 0 HD2 PHE A 11 9.340 0.902 4.737 1.00 0.00 H new ATOM 0 HE1 PHE A 11 12.631 4.198 6.317 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.985 0.951 7.106 1.00 0.00 H new ATOM 0 HZ PHE A 11 11.638 2.597 7.900 1.00 0.00 H new ATOM 172 N ASN A 12 9.938 3.884 -0.012 1.00 0.00 N ATOM 173 CA ASN A 12 9.815 3.783 -1.460 1.00 0.00 C ATOM 174 C ASN A 12 9.822 2.317 -1.894 1.00 0.00 C ATOM 175 O ASN A 12 10.734 1.564 -1.549 1.00 0.00 O ATOM 176 CB ASN A 12 10.960 4.543 -2.137 1.00 0.00 C ATOM 177 CG ASN A 12 10.890 4.499 -3.650 1.00 0.00 C ATOM 178 OD1 ASN A 12 9.810 4.462 -4.238 1.00 0.00 O ATOM 179 ND2 ASN A 12 12.045 4.510 -4.290 1.00 0.00 N ATOM 0 H ASN A 12 10.825 4.276 0.304 1.00 0.00 H new ATOM 0 HA ASN A 12 8.868 4.229 -1.764 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.943 5.582 -1.809 1.00 0.00 H new ATOM 0 HB3 ASN A 12 11.911 4.121 -1.811 1.00 0.00 H new ATOM 0 HD21 ASN A 12 12.063 4.487 -5.310 1.00 0.00 H new ATOM 0 HD22 ASN A 12 12.919 4.541 -3.765 1.00 0.00 H new ATOM 186 N TYR A 13 8.801 1.919 -2.638 1.00 0.00 N ATOM 187 CA TYR A 13 8.671 0.543 -3.091 1.00 0.00 C ATOM 188 C TYR A 13 8.266 0.496 -4.560 1.00 0.00 C ATOM 189 O TYR A 13 7.135 0.828 -4.917 1.00 0.00 O ATOM 190 CB TYR A 13 7.647 -0.210 -2.231 1.00 0.00 C ATOM 191 CG TYR A 13 7.469 -1.665 -2.617 1.00 0.00 C ATOM 192 CD1 TYR A 13 8.408 -2.621 -2.252 1.00 0.00 C ATOM 193 CD2 TYR A 13 6.365 -2.077 -3.352 1.00 0.00 C ATOM 194 CE1 TYR A 13 8.250 -3.947 -2.604 1.00 0.00 C ATOM 195 CE2 TYR A 13 6.199 -3.402 -3.708 1.00 0.00 C ATOM 196 CZ TYR A 13 7.145 -4.333 -3.333 1.00 0.00 C ATOM 197 OH TYR A 13 6.983 -5.655 -3.681 1.00 0.00 O ATOM 0 H TYR A 13 8.046 2.534 -2.942 1.00 0.00 H new ATOM 0 HA TYR A 13 9.640 0.055 -2.986 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.956 -0.157 -1.187 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.684 0.295 -2.305 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.276 -2.322 -1.683 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.624 -1.350 -3.650 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.988 -4.678 -2.310 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.333 -3.707 -4.277 1.00 0.00 H new ATOM 0 HH TYR A 13 6.684 -5.714 -4.612 1.00 0.00 H new ATOM 207 N MET A 14 9.199 0.090 -5.407 1.00 0.00 N ATOM 208 CA MET A 14 8.935 -0.035 -6.832 1.00 0.00 C ATOM 209 C MET A 14 8.148 -1.307 -7.112 1.00 0.00 C ATOM 210 O MET A 14 8.449 -2.367 -6.560 1.00 0.00 O ATOM 211 CB MET A 14 10.242 -0.044 -7.638 1.00 0.00 C ATOM 212 CG MET A 14 11.060 1.233 -7.512 1.00 0.00 C ATOM 213 SD MET A 14 11.843 1.418 -5.893 1.00 0.00 S ATOM 214 CE MET A 14 12.950 0.007 -5.886 1.00 0.00 C ATOM 0 H MET A 14 10.149 -0.159 -5.131 1.00 0.00 H new ATOM 0 HA MET A 14 8.346 0.828 -7.141 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.852 -0.887 -7.311 1.00 0.00 H new ATOM 0 HB3 MET A 14 10.007 -0.209 -8.689 1.00 0.00 H new ATOM 0 HG2 MET A 14 11.829 1.242 -8.284 1.00 0.00 H new ATOM 0 HG3 MET A 14 10.413 2.091 -7.696 1.00 0.00 H new ATOM 0 HE1 MET A 14 13.757 0.181 -5.175 1.00 0.00 H new ATOM 0 HE2 MET A 14 12.398 -0.887 -5.596 1.00 0.00 H new ATOM 0 HE3 MET A 14 13.369 -0.132 -6.883 1.00 0.00 H new ATOM 224 N ALA A 15 7.140 -1.197 -7.962 1.00 0.00 N ATOM 225 CA ALA A 15 6.317 -2.343 -8.316 1.00 0.00 C ATOM 226 C ALA A 15 6.605 -2.803 -9.738 1.00 0.00 C ATOM 227 O ALA A 15 6.712 -1.986 -10.656 1.00 0.00 O ATOM 228 CB ALA A 15 4.846 -2.002 -8.167 1.00 0.00 C ATOM 0 H ALA A 15 6.872 -0.326 -8.420 1.00 0.00 H new ATOM 0 HA ALA A 15 6.563 -3.158 -7.636 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.243 -2.869 -8.435 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.640 -1.722 -7.134 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.597 -1.169 -8.825 1.00 0.00 H new ATOM 234 N GLU A 16 6.718 -4.110 -9.914 1.00 0.00 N ATOM 235 CA GLU A 16 6.986 -4.687 -11.221 1.00 0.00 C ATOM 236 C GLU A 16 5.713 -5.310 -11.784 1.00 0.00 C ATOM 237 O GLU A 16 5.355 -5.089 -12.940 1.00 0.00 O ATOM 238 CB GLU A 16 8.091 -5.743 -11.110 1.00 0.00 C ATOM 239 CG GLU A 16 8.541 -6.310 -12.445 1.00 0.00 C ATOM 240 CD GLU A 16 9.631 -7.350 -12.291 1.00 0.00 C ATOM 241 OE1 GLU A 16 10.753 -6.986 -11.871 1.00 0.00 O ATOM 242 OE2 GLU A 16 9.380 -8.535 -12.595 1.00 0.00 O ATOM 0 H GLU A 16 6.628 -4.794 -9.163 1.00 0.00 H new ATOM 0 HA GLU A 16 7.321 -3.900 -11.897 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.951 -5.302 -10.606 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.737 -6.560 -10.481 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.686 -6.756 -12.954 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.902 -5.500 -13.078 1.00 0.00 H new ATOM 249 N ARG A 17 5.026 -6.071 -10.948 1.00 0.00 N ATOM 250 CA ARG A 17 3.804 -6.754 -11.347 1.00 0.00 C ATOM 251 C ARG A 17 2.578 -5.942 -10.938 1.00 0.00 C ATOM 252 O ARG A 17 2.665 -5.092 -10.054 1.00 0.00 O ATOM 253 CB ARG A 17 3.761 -8.134 -10.699 1.00 0.00 C ATOM 254 CG ARG A 17 4.880 -9.055 -11.155 1.00 0.00 C ATOM 255 CD ARG A 17 4.985 -10.284 -10.265 1.00 0.00 C ATOM 256 NE ARG A 17 3.697 -10.942 -10.077 1.00 0.00 N ATOM 257 CZ ARG A 17 3.490 -12.249 -10.211 1.00 0.00 C ATOM 258 NH1 ARG A 17 4.491 -13.059 -10.553 1.00 0.00 N ATOM 259 NH2 ARG A 17 2.279 -12.748 -10.004 1.00 0.00 N ATOM 0 H ARG A 17 5.297 -6.233 -9.978 1.00 0.00 H new ATOM 0 HA ARG A 17 3.795 -6.862 -12.432 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.814 -8.020 -9.616 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.802 -8.602 -10.923 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.702 -9.364 -12.185 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.826 -8.514 -11.144 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.690 -10.989 -10.705 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.388 -9.994 -9.294 1.00 0.00 H new ATOM 0 HE ARG A 17 2.899 -10.359 -9.825 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.423 -12.678 -10.714 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.325 -14.060 -10.654 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.511 -12.130 -9.743 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.116 -13.750 -10.106 1.00 0.00 H new ATOM 273 N GLU A 18 1.437 -6.190 -11.580 1.00 0.00 N ATOM 274 CA GLU A 18 0.205 -5.479 -11.240 1.00 0.00 C ATOM 275 C GLU A 18 -0.379 -5.962 -9.915 1.00 0.00 C ATOM 276 O GLU A 18 -1.262 -5.319 -9.351 1.00 0.00 O ATOM 277 CB GLU A 18 -0.837 -5.601 -12.349 1.00 0.00 C ATOM 278 CG GLU A 18 -0.495 -4.791 -13.588 1.00 0.00 C ATOM 279 CD GLU A 18 -1.673 -4.648 -14.523 1.00 0.00 C ATOM 280 OE1 GLU A 18 -1.879 -5.539 -15.373 1.00 0.00 O ATOM 281 OE2 GLU A 18 -2.402 -3.640 -14.417 1.00 0.00 O ATOM 0 H GLU A 18 1.340 -6.872 -12.332 1.00 0.00 H new ATOM 0 HA GLU A 18 0.470 -4.427 -11.132 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.941 -6.650 -12.627 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.804 -5.275 -11.966 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.150 -3.802 -13.289 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.329 -5.270 -14.116 1.00 0.00 H new ATOM 288 N ASP A 19 0.109 -7.092 -9.421 1.00 0.00 N ATOM 289 CA ASP A 19 -0.278 -7.566 -8.098 1.00 0.00 C ATOM 290 C ASP A 19 0.621 -6.934 -7.039 1.00 0.00 C ATOM 291 O ASP A 19 0.593 -7.305 -5.865 1.00 0.00 O ATOM 292 CB ASP A 19 -0.240 -9.097 -8.024 1.00 0.00 C ATOM 293 CG ASP A 19 1.099 -9.681 -8.413 1.00 0.00 C ATOM 294 OD1 ASP A 19 1.382 -9.760 -9.628 1.00 0.00 O ATOM 295 OD2 ASP A 19 1.862 -10.076 -7.514 1.00 0.00 O ATOM 0 H ASP A 19 0.769 -7.694 -9.912 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.307 -7.263 -7.904 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.485 -9.411 -7.009 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.010 -9.505 -8.678 1.00 0.00 H new ATOM 300 N GLU A 20 1.415 -5.969 -7.487 1.00 0.00 N ATOM 301 CA GLU A 20 2.187 -5.108 -6.606 1.00 0.00 C ATOM 302 C GLU A 20 1.661 -3.685 -6.715 1.00 0.00 C ATOM 303 O GLU A 20 0.891 -3.368 -7.625 1.00 0.00 O ATOM 304 CB GLU A 20 3.663 -5.101 -6.986 1.00 0.00 C ATOM 305 CG GLU A 20 4.391 -6.396 -6.708 1.00 0.00 C ATOM 306 CD GLU A 20 5.835 -6.331 -7.163 1.00 0.00 C ATOM 307 OE1 GLU A 20 6.074 -6.318 -8.390 1.00 0.00 O ATOM 308 OE2 GLU A 20 6.731 -6.261 -6.295 1.00 0.00 O ATOM 0 H GLU A 20 1.541 -5.762 -8.478 1.00 0.00 H new ATOM 0 HA GLU A 20 2.087 -5.489 -5.590 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.750 -4.871 -8.048 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.160 -4.296 -6.444 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.354 -6.613 -5.640 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.885 -7.216 -7.218 1.00 0.00 H new ATOM 315 N LEU A 21 2.094 -2.822 -5.817 1.00 0.00 N ATOM 316 CA LEU A 21 1.721 -1.421 -5.886 1.00 0.00 C ATOM 317 C LEU A 21 2.944 -0.545 -5.644 1.00 0.00 C ATOM 318 O LEU A 21 3.645 -0.709 -4.646 1.00 0.00 O ATOM 319 CB LEU A 21 0.629 -1.113 -4.862 1.00 0.00 C ATOM 320 CG LEU A 21 -0.485 -0.179 -5.335 1.00 0.00 C ATOM 321 CD1 LEU A 21 -1.434 0.135 -4.192 1.00 0.00 C ATOM 322 CD2 LEU A 21 0.079 1.101 -5.934 1.00 0.00 C ATOM 0 H LEU A 21 2.702 -3.064 -5.034 1.00 0.00 H new ATOM 0 HA LEU A 21 1.329 -1.207 -6.880 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.178 -2.054 -4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.097 -0.672 -3.982 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.042 -0.692 -6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.221 0.801 -4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.879 -0.790 -3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.884 0.619 -3.385 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.740 1.742 -6.260 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.672 1.623 -5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.710 0.856 -6.788 1.00 0.00 H new ATOM 334 N SER A 22 3.215 0.360 -6.575 1.00 0.00 N ATOM 335 CA SER A 22 4.332 1.281 -6.447 1.00 0.00 C ATOM 336 C SER A 22 4.062 2.294 -5.340 1.00 0.00 C ATOM 337 O SER A 22 3.204 3.167 -5.480 1.00 0.00 O ATOM 338 CB SER A 22 4.575 1.985 -7.781 1.00 0.00 C ATOM 339 OG SER A 22 3.356 2.466 -8.323 1.00 0.00 O ATOM 0 H SER A 22 2.672 0.475 -7.431 1.00 0.00 H new ATOM 0 HA SER A 22 5.228 0.721 -6.179 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.268 2.814 -7.639 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.043 1.294 -8.482 1.00 0.00 H new ATOM 0 HG SER A 22 2.853 2.938 -7.627 1.00 0.00 H new ATOM 345 N LEU A 23 4.783 2.159 -4.240 1.00 0.00 N ATOM 346 CA LEU A 23 4.582 3.018 -3.088 1.00 0.00 C ATOM 347 C LEU A 23 5.682 4.064 -3.002 1.00 0.00 C ATOM 348 O LEU A 23 6.853 3.774 -3.244 1.00 0.00 O ATOM 349 CB LEU A 23 4.544 2.187 -1.806 1.00 0.00 C ATOM 350 CG LEU A 23 3.459 1.111 -1.760 1.00 0.00 C ATOM 351 CD1 LEU A 23 3.442 0.437 -0.398 1.00 0.00 C ATOM 352 CD2 LEU A 23 2.094 1.703 -2.078 1.00 0.00 C ATOM 0 H LEU A 23 5.516 1.459 -4.121 1.00 0.00 H new ATOM 0 HA LEU A 23 3.626 3.529 -3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.514 1.708 -1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.402 2.860 -0.960 1.00 0.00 H new ATOM 0 HG LEU A 23 3.688 0.362 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.665 -0.327 -0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.410 -0.026 -0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.239 1.180 0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.339 0.918 -2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.853 2.475 -1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.111 2.141 -3.076 1.00 0.00 H new ATOM 364 N ILE A 24 5.296 5.282 -2.657 1.00 0.00 N ATOM 365 CA ILE A 24 6.226 6.395 -2.568 1.00 0.00 C ATOM 366 C ILE A 24 6.183 7.001 -1.178 1.00 0.00 C ATOM 367 O ILE A 24 5.128 7.458 -0.734 1.00 0.00 O ATOM 368 CB ILE A 24 5.884 7.500 -3.590 1.00 0.00 C ATOM 369 CG1 ILE A 24 5.951 6.959 -5.019 1.00 0.00 C ATOM 370 CG2 ILE A 24 6.802 8.704 -3.413 1.00 0.00 C ATOM 371 CD1 ILE A 24 7.328 6.478 -5.431 1.00 0.00 C ATOM 0 H ILE A 24 4.332 5.526 -2.431 1.00 0.00 H new ATOM 0 HA ILE A 24 7.221 6.004 -2.784 1.00 0.00 H new ATOM 0 HB ILE A 24 4.861 7.830 -3.406 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.245 6.135 -5.118 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.629 7.740 -5.708 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.543 9.470 -4.144 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.684 9.107 -2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.837 8.397 -3.561 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.293 6.110 -6.456 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.036 7.304 -5.366 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.646 5.674 -4.767 1.00 0.00 H new ATOM 383 N LYS A 25 7.311 6.986 -0.483 1.00 0.00 N ATOM 384 CA LYS A 25 7.393 7.646 0.811 1.00 0.00 C ATOM 385 C LYS A 25 6.972 9.105 0.663 1.00 0.00 C ATOM 386 O LYS A 25 7.559 9.853 -0.122 1.00 0.00 O ATOM 387 CB LYS A 25 8.808 7.576 1.392 1.00 0.00 C ATOM 388 CG LYS A 25 8.906 8.223 2.764 1.00 0.00 C ATOM 389 CD LYS A 25 10.337 8.305 3.264 1.00 0.00 C ATOM 390 CE LYS A 25 10.378 8.915 4.655 1.00 0.00 C ATOM 391 NZ LYS A 25 11.765 9.166 5.128 1.00 0.00 N ATOM 0 H LYS A 25 8.171 6.531 -0.788 1.00 0.00 H new ATOM 0 HA LYS A 25 6.723 7.129 1.498 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.117 6.533 1.463 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.502 8.069 0.711 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.481 9.226 2.721 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.308 7.653 3.475 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.780 7.309 3.284 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.935 8.906 2.579 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.823 9.853 4.653 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.874 8.249 5.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.737 9.582 6.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.290 8.268 5.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.240 9.823 4.477 1.00 0.00 H new ATOM 405 N GLY A 26 5.959 9.503 1.408 1.00 0.00 N ATOM 406 CA GLY A 26 5.436 10.840 1.271 1.00 0.00 C ATOM 407 C GLY A 26 4.013 10.847 0.755 1.00 0.00 C ATOM 408 O GLY A 26 3.327 11.866 0.831 1.00 0.00 O ATOM 0 H GLY A 26 5.489 8.925 2.105 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.473 11.344 2.237 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.070 11.409 0.591 1.00 0.00 H new ATOM 412 N THR A 27 3.565 9.713 0.233 1.00 0.00 N ATOM 413 CA THR A 27 2.230 9.622 -0.342 1.00 0.00 C ATOM 414 C THR A 27 1.295 8.799 0.538 1.00 0.00 C ATOM 415 O THR A 27 1.700 8.271 1.579 1.00 0.00 O ATOM 416 CB THR A 27 2.264 9.018 -1.761 1.00 0.00 C ATOM 417 OG1 THR A 27 2.743 7.668 -1.721 1.00 0.00 O ATOM 418 CG2 THR A 27 3.157 9.845 -2.672 1.00 0.00 C ATOM 0 H THR A 27 4.103 8.847 0.196 1.00 0.00 H new ATOM 0 HA THR A 27 1.848 10.641 -0.403 1.00 0.00 H new ATOM 0 HB THR A 27 1.248 9.025 -2.155 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.646 7.652 -1.341 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.169 9.404 -3.669 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.773 10.864 -2.731 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.170 9.862 -2.271 1.00 0.00 H new ATOM 426 N LYS A 28 0.043 8.701 0.117 1.00 0.00 N ATOM 427 CA LYS A 28 -0.973 7.981 0.863 1.00 0.00 C ATOM 428 C LYS A 28 -1.793 7.091 -0.072 1.00 0.00 C ATOM 429 O LYS A 28 -2.210 7.528 -1.148 1.00 0.00 O ATOM 430 CB LYS A 28 -1.889 8.978 1.575 1.00 0.00 C ATOM 431 CG LYS A 28 -3.035 8.337 2.338 1.00 0.00 C ATOM 432 CD LYS A 28 -4.203 9.301 2.484 1.00 0.00 C ATOM 433 CE LYS A 28 -4.755 9.709 1.127 1.00 0.00 C ATOM 434 NZ LYS A 28 -5.893 10.656 1.244 1.00 0.00 N ATOM 0 H LYS A 28 -0.295 9.118 -0.750 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.485 7.347 1.603 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.292 9.571 2.268 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.299 9.668 0.837 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.365 7.438 1.818 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.690 8.026 3.324 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.991 8.834 3.074 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.880 10.188 3.029 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.962 10.169 0.538 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.079 8.820 0.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.236 10.906 0.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.662 10.210 1.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.579 11.517 1.736 1.00 0.00 H new ATOM 448 N VAL A 29 -2.018 5.851 0.344 1.00 0.00 N ATOM 449 CA VAL A 29 -2.801 4.903 -0.439 1.00 0.00 C ATOM 450 C VAL A 29 -4.140 4.619 0.243 1.00 0.00 C ATOM 451 O VAL A 29 -4.374 5.065 1.370 1.00 0.00 O ATOM 452 CB VAL A 29 -2.039 3.572 -0.659 1.00 0.00 C ATOM 453 CG1 VAL A 29 -0.603 3.845 -1.076 1.00 0.00 C ATOM 454 CG2 VAL A 29 -2.073 2.693 0.588 1.00 0.00 C ATOM 0 H VAL A 29 -1.667 5.476 1.225 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.979 5.360 -1.413 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.543 3.031 -1.460 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.082 2.900 -1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.596 4.415 -2.005 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.100 4.416 -0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.529 1.768 0.396 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.607 3.223 1.419 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.107 2.459 0.840 1.00 0.00 H new ATOM 464 N ILE A 30 -5.013 3.891 -0.443 1.00 0.00 N ATOM 465 CA ILE A 30 -6.332 3.565 0.086 1.00 0.00 C ATOM 466 C ILE A 30 -6.477 2.059 0.290 1.00 0.00 C ATOM 467 O ILE A 30 -6.579 1.308 -0.673 1.00 0.00 O ATOM 468 CB ILE A 30 -7.446 4.035 -0.868 1.00 0.00 C ATOM 469 CG1 ILE A 30 -7.269 5.513 -1.214 1.00 0.00 C ATOM 470 CG2 ILE A 30 -8.812 3.789 -0.248 1.00 0.00 C ATOM 471 CD1 ILE A 30 -7.516 6.451 -0.049 1.00 0.00 C ATOM 0 H ILE A 30 -4.830 3.513 -1.373 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.429 4.080 1.042 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.377 3.459 -1.791 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.256 5.670 -1.586 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.950 5.770 -2.025 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.589 4.126 -0.934 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.937 2.724 -0.054 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.891 4.340 0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.371 7.481 -0.374 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.537 6.324 0.310 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.818 6.223 0.756 1.00 0.00 H new ATOM 483 N VAL A 31 -6.492 1.624 1.541 1.00 0.00 N ATOM 484 CA VAL A 31 -6.602 0.205 1.861 1.00 0.00 C ATOM 485 C VAL A 31 -8.063 -0.198 2.036 1.00 0.00 C ATOM 486 O VAL A 31 -8.711 0.185 3.007 1.00 0.00 O ATOM 487 CB VAL A 31 -5.830 -0.146 3.152 1.00 0.00 C ATOM 488 CG1 VAL A 31 -5.767 -1.652 3.359 1.00 0.00 C ATOM 489 CG2 VAL A 31 -4.431 0.451 3.119 1.00 0.00 C ATOM 0 H VAL A 31 -6.429 2.235 2.356 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.166 -0.344 1.027 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.369 0.287 3.995 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.218 -1.871 4.275 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.778 -2.051 3.438 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.260 -2.115 2.513 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.903 0.193 4.037 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.886 0.053 2.263 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.500 1.535 3.033 1.00 0.00 H new ATOM 499 N MET A 32 -8.576 -0.969 1.095 1.00 0.00 N ATOM 500 CA MET A 32 -9.974 -1.373 1.113 1.00 0.00 C ATOM 501 C MET A 32 -10.133 -2.788 1.658 1.00 0.00 C ATOM 502 O MET A 32 -11.182 -3.146 2.179 1.00 0.00 O ATOM 503 CB MET A 32 -10.546 -1.291 -0.302 1.00 0.00 C ATOM 504 CG MET A 32 -10.676 0.130 -0.821 1.00 0.00 C ATOM 505 SD MET A 32 -10.745 0.203 -2.617 1.00 0.00 S ATOM 506 CE MET A 32 -9.110 -0.412 -3.008 1.00 0.00 C ATOM 0 H MET A 32 -8.044 -1.331 0.304 1.00 0.00 H new ATOM 0 HA MET A 32 -10.520 -0.697 1.771 1.00 0.00 H new ATOM 0 HB2 MET A 32 -9.906 -1.859 -0.977 1.00 0.00 H new ATOM 0 HB3 MET A 32 -11.527 -1.766 -0.317 1.00 0.00 H new ATOM 0 HG2 MET A 32 -11.577 0.584 -0.407 1.00 0.00 H new ATOM 0 HG3 MET A 32 -9.831 0.721 -0.469 1.00 0.00 H new ATOM 0 HE1 MET A 32 -8.848 -0.127 -4.027 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.385 0.015 -2.315 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.099 -1.498 -2.921 1.00 0.00 H new ATOM 516 N GLU A 33 -9.086 -3.589 1.525 1.00 0.00 N ATOM 517 CA GLU A 33 -9.101 -4.962 2.011 1.00 0.00 C ATOM 518 C GLU A 33 -7.814 -5.268 2.762 1.00 0.00 C ATOM 519 O GLU A 33 -6.714 -5.053 2.244 1.00 0.00 O ATOM 520 CB GLU A 33 -9.287 -5.948 0.856 1.00 0.00 C ATOM 521 CG GLU A 33 -10.739 -6.188 0.475 1.00 0.00 C ATOM 522 CD GLU A 33 -11.479 -7.015 1.508 1.00 0.00 C ATOM 523 OE1 GLU A 33 -11.355 -8.257 1.473 1.00 0.00 O ATOM 524 OE2 GLU A 33 -12.173 -6.432 2.366 1.00 0.00 O ATOM 0 H GLU A 33 -8.211 -3.310 1.082 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.944 -5.073 2.693 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.750 -5.575 -0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.831 -6.900 1.128 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.243 -5.229 0.353 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.780 -6.695 -0.489 1.00 0.00 H new ATOM 531 N LYS A 34 -7.955 -5.766 3.982 1.00 0.00 N ATOM 532 CA LYS A 34 -6.809 -6.016 4.841 1.00 0.00 C ATOM 533 C LYS A 34 -6.687 -7.493 5.188 1.00 0.00 C ATOM 534 O LYS A 34 -7.640 -8.111 5.665 1.00 0.00 O ATOM 535 CB LYS A 34 -6.915 -5.204 6.136 1.00 0.00 C ATOM 536 CG LYS A 34 -6.848 -3.702 5.931 1.00 0.00 C ATOM 537 CD LYS A 34 -6.896 -2.954 7.255 1.00 0.00 C ATOM 538 CE LYS A 34 -5.790 -3.397 8.188 1.00 0.00 C ATOM 539 NZ LYS A 34 -5.820 -2.673 9.486 1.00 0.00 N ATOM 0 H LYS A 34 -8.855 -6.005 4.399 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.920 -5.709 4.290 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.854 -5.451 6.632 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.111 -5.505 6.808 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.930 -3.447 5.401 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.679 -3.383 5.302 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.810 -1.883 7.071 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.862 -3.119 7.732 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.879 -4.468 8.370 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.826 -3.235 7.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.868 -2.672 9.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.131 -1.693 9.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.482 -3.147 10.133 1.00 0.00 H new ATOM 553 N CYS A 35 -5.513 -8.052 4.942 1.00 0.00 N ATOM 554 CA CYS A 35 -5.203 -9.400 5.388 1.00 0.00 C ATOM 555 C CYS A 35 -4.565 -9.339 6.772 1.00 0.00 C ATOM 556 O CYS A 35 -4.239 -8.252 7.260 1.00 0.00 O ATOM 557 CB CYS A 35 -4.279 -10.098 4.388 1.00 0.00 C ATOM 558 SG CYS A 35 -5.020 -10.332 2.754 1.00 0.00 S ATOM 0 H CYS A 35 -4.758 -7.591 4.435 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.123 -9.982 5.448 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.365 -9.514 4.282 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.992 -11.070 4.789 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.344 -9.659 1.871 1.00 0.00 H new ATOM 564 N SER A 36 -4.385 -10.494 7.396 1.00 0.00 N ATOM 565 CA SER A 36 -3.921 -10.555 8.776 1.00 0.00 C ATOM 566 C SER A 36 -2.508 -9.992 8.940 1.00 0.00 C ATOM 567 O SER A 36 -2.249 -9.229 9.874 1.00 0.00 O ATOM 568 CB SER A 36 -3.973 -11.999 9.263 1.00 0.00 C ATOM 569 OG SER A 36 -5.240 -12.573 8.983 1.00 0.00 O ATOM 0 H SER A 36 -4.554 -11.404 6.968 1.00 0.00 H new ATOM 0 HA SER A 36 -4.583 -9.933 9.379 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.189 -12.581 8.779 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.780 -12.034 10.335 1.00 0.00 H new ATOM 0 HG SER A 36 -5.256 -13.500 9.300 1.00 0.00 H new ATOM 575 N ASP A 37 -1.603 -10.354 8.035 1.00 0.00 N ATOM 576 CA ASP A 37 -0.216 -9.894 8.134 1.00 0.00 C ATOM 577 C ASP A 37 0.434 -9.722 6.763 1.00 0.00 C ATOM 578 O ASP A 37 1.333 -8.901 6.604 1.00 0.00 O ATOM 579 CB ASP A 37 0.616 -10.867 8.981 1.00 0.00 C ATOM 580 CG ASP A 37 2.078 -10.462 9.064 1.00 0.00 C ATOM 581 OD1 ASP A 37 2.384 -9.465 9.755 1.00 0.00 O ATOM 582 OD2 ASP A 37 2.928 -11.141 8.445 1.00 0.00 O ATOM 0 H ASP A 37 -1.798 -10.956 7.235 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.240 -8.917 8.618 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.198 -10.917 9.987 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.543 -11.868 8.556 1.00 0.00 H new ATOM 587 N GLY A 38 -0.026 -10.489 5.779 1.00 0.00 N ATOM 588 CA GLY A 38 0.610 -10.495 4.470 1.00 0.00 C ATOM 589 C GLY A 38 0.336 -9.247 3.644 1.00 0.00 C ATOM 590 O GLY A 38 0.523 -8.117 4.106 1.00 0.00 O ATOM 0 H GLY A 38 -0.831 -11.109 5.864 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.687 -10.603 4.601 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.268 -11.368 3.915 1.00 0.00 H new ATOM 594 N TRP A 39 -0.109 -9.457 2.414 1.00 0.00 N ATOM 595 CA TRP A 39 -0.325 -8.364 1.481 1.00 0.00 C ATOM 596 C TRP A 39 -1.649 -7.670 1.749 1.00 0.00 C ATOM 597 O TRP A 39 -2.643 -8.311 2.102 1.00 0.00 O ATOM 598 CB TRP A 39 -0.299 -8.880 0.038 1.00 0.00 C ATOM 599 CG TRP A 39 1.031 -9.423 -0.387 1.00 0.00 C ATOM 600 CD1 TRP A 39 1.591 -10.608 -0.006 1.00 0.00 C ATOM 601 CD2 TRP A 39 1.957 -8.814 -1.293 1.00 0.00 C ATOM 602 NE1 TRP A 39 2.815 -10.763 -0.604 1.00 0.00 N ATOM 603 CE2 TRP A 39 3.062 -9.677 -1.402 1.00 0.00 C ATOM 604 CE3 TRP A 39 1.962 -7.620 -2.020 1.00 0.00 C ATOM 605 CZ2 TRP A 39 4.159 -9.387 -2.209 1.00 0.00 C ATOM 606 CZ3 TRP A 39 3.052 -7.332 -2.821 1.00 0.00 C ATOM 607 CH2 TRP A 39 4.137 -8.213 -2.910 1.00 0.00 C ATOM 0 H TRP A 39 -0.328 -10.380 2.039 1.00 0.00 H new ATOM 0 HA TRP A 39 0.481 -7.643 1.621 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -1.052 -9.661 -0.072 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -0.581 -8.069 -0.633 1.00 0.00 H new ATOM 0 HD1 TRP A 39 1.137 -11.319 0.668 1.00 0.00 H new ATOM 0 HE1 TRP A 39 3.441 -11.558 -0.476 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.130 -6.935 -1.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 4.997 -10.065 -2.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.067 -6.412 -3.387 1.00 0.00 H new ATOM 0 HH2 TRP A 39 4.973 -7.960 -3.545 1.00 0.00 H new ATOM 618 N TRP A 40 -1.651 -6.362 1.583 1.00 0.00 N ATOM 619 CA TRP A 40 -2.862 -5.574 1.707 1.00 0.00 C ATOM 620 C TRP A 40 -3.330 -5.114 0.339 1.00 0.00 C ATOM 621 O TRP A 40 -2.514 -4.834 -0.540 1.00 0.00 O ATOM 622 CB TRP A 40 -2.637 -4.369 2.617 1.00 0.00 C ATOM 623 CG TRP A 40 -2.762 -4.687 4.075 1.00 0.00 C ATOM 624 CD1 TRP A 40 -3.072 -5.895 4.633 1.00 0.00 C ATOM 625 CD2 TRP A 40 -2.599 -3.773 5.160 1.00 0.00 C ATOM 626 NE1 TRP A 40 -3.116 -5.784 6.001 1.00 0.00 N ATOM 627 CE2 TRP A 40 -2.825 -4.490 6.350 1.00 0.00 C ATOM 628 CE3 TRP A 40 -2.281 -2.416 5.244 1.00 0.00 C ATOM 629 CZ2 TRP A 40 -2.749 -3.891 7.602 1.00 0.00 C ATOM 630 CZ3 TRP A 40 -2.201 -1.826 6.489 1.00 0.00 C ATOM 631 CH2 TRP A 40 -2.435 -2.562 7.653 1.00 0.00 C ATOM 0 H TRP A 40 -0.818 -5.818 1.359 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.633 -6.202 2.154 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -1.644 -3.961 2.427 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.356 -3.591 2.360 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -3.256 -6.804 4.079 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.330 -6.540 6.651 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.101 -1.838 4.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.932 -4.457 8.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.953 -0.778 6.565 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -2.366 -2.071 8.612 1.00 0.00 H new ATOM 642 N ARG A 41 -4.637 -5.046 0.162 1.00 0.00 N ATOM 643 CA ARG A 41 -5.222 -4.657 -1.108 1.00 0.00 C ATOM 644 C ARG A 41 -5.610 -3.182 -1.065 1.00 0.00 C ATOM 645 O ARG A 41 -6.561 -2.801 -0.371 1.00 0.00 O ATOM 646 CB ARG A 41 -6.444 -5.528 -1.398 1.00 0.00 C ATOM 647 CG ARG A 41 -7.064 -5.315 -2.768 1.00 0.00 C ATOM 648 CD ARG A 41 -8.320 -6.156 -2.928 1.00 0.00 C ATOM 649 NE ARG A 41 -8.929 -5.994 -4.246 1.00 0.00 N ATOM 650 CZ ARG A 41 -10.175 -5.571 -4.444 1.00 0.00 C ATOM 651 NH1 ARG A 41 -10.968 -5.306 -3.411 1.00 0.00 N ATOM 652 NH2 ARG A 41 -10.630 -5.423 -5.681 1.00 0.00 N ATOM 0 H ARG A 41 -5.319 -5.258 0.890 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.494 -4.801 -1.906 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.158 -6.575 -1.303 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.200 -5.334 -0.638 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.307 -4.261 -2.902 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.344 -5.577 -3.543 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.075 -7.206 -2.770 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.042 -5.878 -2.160 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.364 -6.219 -5.065 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.623 -5.426 -2.459 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.922 -4.982 -3.570 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.026 -5.633 -6.475 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.584 -5.099 -5.838 1.00 0.00 H new ATOM 666 N GLY A 42 -4.879 -2.360 -1.799 1.00 0.00 N ATOM 667 CA GLY A 42 -5.095 -0.932 -1.740 1.00 0.00 C ATOM 668 C GLY A 42 -5.004 -0.266 -3.092 1.00 0.00 C ATOM 669 O GLY A 42 -4.637 -0.896 -4.084 1.00 0.00 O ATOM 0 H GLY A 42 -4.139 -2.657 -2.435 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.077 -0.736 -1.310 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.359 -0.486 -1.071 1.00 0.00 H new ATOM 673 N SER A 43 -5.352 1.011 -3.126 1.00 0.00 N ATOM 674 CA SER A 43 -5.317 1.792 -4.348 1.00 0.00 C ATOM 675 C SER A 43 -4.413 3.014 -4.175 1.00 0.00 C ATOM 676 O SER A 43 -4.371 3.611 -3.097 1.00 0.00 O ATOM 677 CB SER A 43 -6.739 2.228 -4.715 1.00 0.00 C ATOM 678 OG SER A 43 -7.296 3.065 -3.718 1.00 0.00 O ATOM 0 H SER A 43 -5.666 1.532 -2.307 1.00 0.00 H new ATOM 0 HA SER A 43 -4.911 1.179 -5.153 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.725 2.755 -5.669 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.368 1.348 -4.847 1.00 0.00 H new ATOM 0 HG SER A 43 -8.186 2.735 -3.474 1.00 0.00 H new ATOM 684 N TYR A 44 -3.685 3.373 -5.223 1.00 0.00 N ATOM 685 CA TYR A 44 -2.827 4.551 -5.193 1.00 0.00 C ATOM 686 C TYR A 44 -2.911 5.304 -6.516 1.00 0.00 C ATOM 687 O TYR A 44 -2.452 4.817 -7.551 1.00 0.00 O ATOM 688 CB TYR A 44 -1.380 4.146 -4.883 1.00 0.00 C ATOM 689 CG TYR A 44 -0.370 5.262 -5.050 1.00 0.00 C ATOM 690 CD1 TYR A 44 -0.434 6.415 -4.277 1.00 0.00 C ATOM 691 CD2 TYR A 44 0.654 5.155 -5.983 1.00 0.00 C ATOM 692 CE1 TYR A 44 0.491 7.431 -4.433 1.00 0.00 C ATOM 693 CE2 TYR A 44 1.583 6.165 -6.147 1.00 0.00 C ATOM 694 CZ TYR A 44 1.496 7.302 -5.370 1.00 0.00 C ATOM 695 OH TYR A 44 2.425 8.311 -5.525 1.00 0.00 O ATOM 0 H TYR A 44 -3.671 2.864 -6.107 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.172 5.217 -4.402 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.330 3.777 -3.859 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.100 3.318 -5.534 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.219 6.519 -3.543 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.725 4.266 -6.592 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.427 8.321 -3.825 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.372 6.065 -6.878 1.00 0.00 H new ATOM 0 HH TYR A 44 3.065 8.062 -6.225 1.00 0.00 H new ATOM 705 N ASN A 45 -3.515 6.490 -6.462 1.00 0.00 N ATOM 706 CA ASN A 45 -3.679 7.352 -7.633 1.00 0.00 C ATOM 707 C ASN A 45 -4.534 6.670 -8.695 1.00 0.00 C ATOM 708 O ASN A 45 -5.765 6.720 -8.646 1.00 0.00 O ATOM 709 CB ASN A 45 -2.315 7.772 -8.214 1.00 0.00 C ATOM 710 CG ASN A 45 -2.435 8.793 -9.333 1.00 0.00 C ATOM 711 OD1 ASN A 45 -2.596 8.439 -10.499 1.00 0.00 O ATOM 712 ND2 ASN A 45 -2.336 10.068 -8.989 1.00 0.00 N ATOM 0 H ASN A 45 -3.905 6.881 -5.605 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.195 8.256 -7.309 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.699 8.186 -7.416 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.799 6.889 -8.590 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.393 10.795 -9.703 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.203 10.323 -8.011 1.00 0.00 H new ATOM 719 N GLY A 46 -3.879 6.007 -9.627 1.00 0.00 N ATOM 720 CA GLY A 46 -4.580 5.349 -10.706 1.00 0.00 C ATOM 721 C GLY A 46 -4.426 3.842 -10.678 1.00 0.00 C ATOM 722 O GLY A 46 -5.208 3.122 -11.302 1.00 0.00 O ATOM 0 H GLY A 46 -2.864 5.911 -9.657 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.639 5.602 -10.652 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.210 5.729 -11.658 1.00 0.00 H new ATOM 726 N GLN A 47 -3.431 3.354 -9.949 1.00 0.00 N ATOM 727 CA GLN A 47 -3.162 1.924 -9.909 1.00 0.00 C ATOM 728 C GLN A 47 -3.661 1.314 -8.607 1.00 0.00 C ATOM 729 O GLN A 47 -3.452 1.860 -7.524 1.00 0.00 O ATOM 730 CB GLN A 47 -1.668 1.637 -10.088 1.00 0.00 C ATOM 731 CG GLN A 47 -1.342 0.154 -10.007 1.00 0.00 C ATOM 732 CD GLN A 47 0.088 -0.178 -10.385 1.00 0.00 C ATOM 733 OE1 GLN A 47 1.005 0.624 -10.206 1.00 0.00 O ATOM 734 NE2 GLN A 47 0.285 -1.373 -10.919 1.00 0.00 N ATOM 0 H GLN A 47 -2.802 3.922 -9.382 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.701 1.465 -10.738 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.341 2.025 -11.053 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.105 2.171 -9.322 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.530 -0.195 -8.992 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.018 -0.394 -10.663 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.502 -2.009 -11.051 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.224 -1.658 -11.199 1.00 0.00 H new ATOM 743 N VAL A 48 -4.345 0.190 -8.732 1.00 0.00 N ATOM 744 CA VAL A 48 -4.812 -0.558 -7.581 1.00 0.00 C ATOM 745 C VAL A 48 -4.062 -1.886 -7.513 1.00 0.00 C ATOM 746 O VAL A 48 -3.473 -2.314 -8.508 1.00 0.00 O ATOM 747 CB VAL A 48 -6.334 -0.825 -7.678 1.00 0.00 C ATOM 748 CG1 VAL A 48 -6.621 -2.055 -8.532 1.00 0.00 C ATOM 749 CG2 VAL A 48 -6.945 -0.957 -6.293 1.00 0.00 C ATOM 0 H VAL A 48 -4.591 -0.227 -9.630 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.624 0.026 -6.680 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.799 0.030 -8.169 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.697 -2.219 -8.583 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.229 -1.899 -9.537 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.142 -2.927 -8.087 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.015 -1.144 -6.384 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.475 -1.787 -5.765 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.784 -0.035 -5.735 1.00 0.00 H new ATOM 759 N GLY A 49 -4.065 -2.531 -6.357 1.00 0.00 N ATOM 760 CA GLY A 49 -3.476 -3.846 -6.268 1.00 0.00 C ATOM 761 C GLY A 49 -3.079 -4.214 -4.856 1.00 0.00 C ATOM 762 O GLY A 49 -3.785 -3.876 -3.904 1.00 0.00 O ATOM 0 H GLY A 49 -4.461 -2.171 -5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.185 -4.583 -6.645 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.597 -3.890 -6.911 1.00 0.00 H new ATOM 766 N TRP A 50 -1.953 -4.898 -4.716 1.00 0.00 N ATOM 767 CA TRP A 50 -1.511 -5.393 -3.419 1.00 0.00 C ATOM 768 C TRP A 50 -0.163 -4.798 -3.050 1.00 0.00 C ATOM 769 O TRP A 50 0.665 -4.528 -3.915 1.00 0.00 O ATOM 770 CB TRP A 50 -1.403 -6.921 -3.429 1.00 0.00 C ATOM 771 CG TRP A 50 -2.677 -7.615 -3.799 1.00 0.00 C ATOM 772 CD1 TRP A 50 -3.139 -7.860 -5.059 1.00 0.00 C ATOM 773 CD2 TRP A 50 -3.647 -8.162 -2.899 1.00 0.00 C ATOM 774 NE1 TRP A 50 -4.346 -8.513 -4.999 1.00 0.00 N ATOM 775 CE2 TRP A 50 -4.677 -8.714 -3.684 1.00 0.00 C ATOM 776 CE3 TRP A 50 -3.748 -8.237 -1.507 1.00 0.00 C ATOM 777 CZ2 TRP A 50 -5.791 -9.334 -3.122 1.00 0.00 C ATOM 778 CZ3 TRP A 50 -4.853 -8.852 -0.952 1.00 0.00 C ATOM 779 CH2 TRP A 50 -5.862 -9.393 -1.757 1.00 0.00 C ATOM 0 H TRP A 50 -1.326 -5.124 -5.488 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.252 -5.092 -2.679 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -0.623 -7.216 -4.130 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -1.089 -7.260 -2.442 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -2.630 -7.581 -5.970 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -4.905 -8.801 -5.802 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -2.976 -7.821 -0.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -6.570 -9.753 -3.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.940 -8.917 0.123 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -6.714 -9.867 -1.291 1.00 0.00 H new ATOM 790 N PHE A 51 0.052 -4.588 -1.763 1.00 0.00 N ATOM 791 CA PHE A 51 1.323 -4.076 -1.279 1.00 0.00 C ATOM 792 C PHE A 51 1.659 -4.709 0.070 1.00 0.00 C ATOM 793 O PHE A 51 0.764 -5.168 0.785 1.00 0.00 O ATOM 794 CB PHE A 51 1.281 -2.544 -1.167 1.00 0.00 C ATOM 795 CG PHE A 51 0.244 -2.028 -0.211 1.00 0.00 C ATOM 796 CD1 PHE A 51 0.492 -2.020 1.148 1.00 0.00 C ATOM 797 CD2 PHE A 51 -0.972 -1.550 -0.670 1.00 0.00 C ATOM 798 CE1 PHE A 51 -0.450 -1.553 2.034 1.00 0.00 C ATOM 799 CE2 PHE A 51 -1.921 -1.078 0.213 1.00 0.00 C ATOM 800 CZ PHE A 51 -1.660 -1.080 1.568 1.00 0.00 C ATOM 0 H PHE A 51 -0.638 -4.764 -1.033 1.00 0.00 H new ATOM 0 HA PHE A 51 2.104 -4.340 -1.992 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.261 -2.186 -0.851 1.00 0.00 H new ATOM 0 HB3 PHE A 51 1.091 -2.123 -2.154 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.438 -2.385 1.519 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.179 -1.547 -1.730 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.243 -1.556 3.094 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.866 -0.708 -0.155 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.401 -0.712 2.262 1.00 0.00 H new ATOM 810 N PRO A 52 2.953 -4.769 0.424 1.00 0.00 N ATOM 811 CA PRO A 52 3.390 -5.283 1.721 1.00 0.00 C ATOM 812 C PRO A 52 3.015 -4.334 2.858 1.00 0.00 C ATOM 813 O PRO A 52 3.310 -3.138 2.804 1.00 0.00 O ATOM 814 CB PRO A 52 4.919 -5.384 1.588 1.00 0.00 C ATOM 815 CG PRO A 52 5.209 -5.202 0.134 1.00 0.00 C ATOM 816 CD PRO A 52 4.091 -4.362 -0.410 1.00 0.00 C ATOM 0 HA PRO A 52 2.918 -6.235 1.962 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.416 -4.619 2.185 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.280 -6.350 1.942 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.172 -4.713 -0.013 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.259 -6.163 -0.377 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.302 -3.297 -0.317 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.911 -4.560 -1.467 1.00 0.00 H new ATOM 824 N SER A 53 2.386 -4.881 3.892 1.00 0.00 N ATOM 825 CA SER A 53 1.901 -4.093 5.025 1.00 0.00 C ATOM 826 C SER A 53 3.046 -3.421 5.795 1.00 0.00 C ATOM 827 O SER A 53 2.823 -2.494 6.573 1.00 0.00 O ATOM 828 CB SER A 53 1.100 -5.001 5.954 1.00 0.00 C ATOM 829 OG SER A 53 1.767 -6.241 6.131 1.00 0.00 O ATOM 0 H SER A 53 2.197 -5.880 3.971 1.00 0.00 H new ATOM 0 HA SER A 53 1.267 -3.295 4.640 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.963 -4.514 6.919 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.107 -5.171 5.539 1.00 0.00 H new ATOM 0 HG SER A 53 1.106 -6.954 6.254 1.00 0.00 H new ATOM 835 N ASN A 54 4.268 -3.888 5.566 1.00 0.00 N ATOM 836 CA ASN A 54 5.451 -3.325 6.219 1.00 0.00 C ATOM 837 C ASN A 54 5.764 -1.926 5.681 1.00 0.00 C ATOM 838 O ASN A 54 6.524 -1.171 6.281 1.00 0.00 O ATOM 839 CB ASN A 54 6.652 -4.264 6.020 1.00 0.00 C ATOM 840 CG ASN A 54 7.951 -3.722 6.603 1.00 0.00 C ATOM 841 OD1 ASN A 54 8.214 -3.861 7.797 1.00 0.00 O ATOM 842 ND2 ASN A 54 8.786 -3.135 5.756 1.00 0.00 N ATOM 0 H ASN A 54 4.469 -4.659 4.930 1.00 0.00 H new ATOM 0 HA ASN A 54 5.247 -3.231 7.286 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.430 -5.227 6.480 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.789 -4.445 4.954 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.683 -2.780 6.088 1.00 0.00 H new ATOM 0 HD22 ASN A 54 8.531 -3.039 4.773 1.00 0.00 H new ATOM 849 N TYR A 55 5.153 -1.573 4.558 1.00 0.00 N ATOM 850 CA TYR A 55 5.459 -0.311 3.895 1.00 0.00 C ATOM 851 C TYR A 55 4.363 0.732 4.076 1.00 0.00 C ATOM 852 O TYR A 55 4.374 1.757 3.396 1.00 0.00 O ATOM 853 CB TYR A 55 5.699 -0.540 2.400 1.00 0.00 C ATOM 854 CG TYR A 55 7.005 -1.235 2.087 1.00 0.00 C ATOM 855 CD1 TYR A 55 7.088 -2.619 2.051 1.00 0.00 C ATOM 856 CD2 TYR A 55 8.157 -0.503 1.832 1.00 0.00 C ATOM 857 CE1 TYR A 55 8.281 -3.255 1.769 1.00 0.00 C ATOM 858 CE2 TYR A 55 9.354 -1.131 1.548 1.00 0.00 C ATOM 859 CZ TYR A 55 9.410 -2.508 1.518 1.00 0.00 C ATOM 860 OH TYR A 55 10.601 -3.140 1.240 1.00 0.00 O ATOM 0 H TYR A 55 4.446 -2.139 4.088 1.00 0.00 H new ATOM 0 HA TYR A 55 6.363 0.076 4.366 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.878 -1.133 1.997 1.00 0.00 H new ATOM 0 HB3 TYR A 55 5.679 0.422 1.888 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.205 -3.209 2.247 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.116 0.576 1.856 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.328 -4.334 1.745 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.241 -0.547 1.351 1.00 0.00 H new ATOM 0 HH TYR A 55 11.299 -2.470 1.086 1.00 0.00 H new ATOM 870 N VAL A 56 3.427 0.506 4.992 1.00 0.00 N ATOM 871 CA VAL A 56 2.335 1.461 5.178 1.00 0.00 C ATOM 872 C VAL A 56 2.075 1.807 6.639 1.00 0.00 C ATOM 873 O VAL A 56 2.318 1.015 7.547 1.00 0.00 O ATOM 874 CB VAL A 56 1.018 0.980 4.554 1.00 0.00 C ATOM 875 CG1 VAL A 56 1.100 1.042 3.040 1.00 0.00 C ATOM 876 CG2 VAL A 56 0.677 -0.420 5.033 1.00 0.00 C ATOM 0 H VAL A 56 3.399 -0.309 5.605 1.00 0.00 H new ATOM 0 HA VAL A 56 2.677 2.358 4.662 1.00 0.00 H new ATOM 0 HB VAL A 56 0.215 1.643 4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.159 0.698 2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.288 2.069 2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.912 0.403 2.693 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.260 -0.742 4.579 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.474 -1.107 4.747 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.572 -0.418 6.118 1.00 0.00 H new ATOM 886 N THR A 57 1.591 3.021 6.827 1.00 0.00 N ATOM 887 CA THR A 57 1.150 3.534 8.110 1.00 0.00 C ATOM 888 C THR A 57 -0.310 3.975 8.001 1.00 0.00 C ATOM 889 O THR A 57 -0.593 4.980 7.361 1.00 0.00 O ATOM 890 CB THR A 57 2.024 4.743 8.528 1.00 0.00 C ATOM 891 OG1 THR A 57 3.341 4.313 8.893 1.00 0.00 O ATOM 892 CG2 THR A 57 1.403 5.521 9.677 1.00 0.00 C ATOM 0 H THR A 57 1.491 3.696 6.069 1.00 0.00 H new ATOM 0 HA THR A 57 1.245 2.750 8.862 1.00 0.00 H new ATOM 0 HB THR A 57 2.086 5.406 7.665 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.879 5.090 9.152 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.048 6.360 9.939 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.425 5.895 9.376 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.291 4.866 10.541 1.00 0.00 H new ATOM 900 N GLU A 58 -1.231 3.215 8.593 1.00 0.00 N ATOM 901 CA GLU A 58 -2.654 3.548 8.502 1.00 0.00 C ATOM 902 C GLU A 58 -2.924 4.946 9.063 1.00 0.00 C ATOM 903 O GLU A 58 -3.020 5.917 8.311 1.00 0.00 O ATOM 904 CB GLU A 58 -3.510 2.498 9.220 1.00 0.00 C ATOM 905 CG GLU A 58 -3.453 1.123 8.570 1.00 0.00 C ATOM 906 CD GLU A 58 -4.414 0.130 9.198 1.00 0.00 C ATOM 907 OE1 GLU A 58 -4.028 -0.552 10.166 1.00 0.00 O ATOM 908 OE2 GLU A 58 -5.558 0.007 8.712 1.00 0.00 O ATOM 0 H GLU A 58 -1.023 2.376 9.134 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.933 3.547 7.448 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.179 2.416 10.255 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.545 2.838 9.243 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.681 1.219 7.508 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.437 0.734 8.644 1.00 0.00 H new ATOM 915 N GLU A 59 -3.015 5.062 10.380 1.00 0.00 N ATOM 916 CA GLU A 59 -3.200 6.361 11.008 1.00 0.00 C ATOM 917 C GLU A 59 -2.255 6.519 12.188 1.00 0.00 C ATOM 918 O GLU A 59 -2.609 6.232 13.333 1.00 0.00 O ATOM 919 CB GLU A 59 -4.652 6.566 11.451 1.00 0.00 C ATOM 920 CG GLU A 59 -5.642 6.596 10.296 1.00 0.00 C ATOM 921 CD GLU A 59 -7.016 7.064 10.719 1.00 0.00 C ATOM 922 OE1 GLU A 59 -7.768 6.265 11.308 1.00 0.00 O ATOM 923 OE2 GLU A 59 -7.350 8.245 10.469 1.00 0.00 O ATOM 0 H GLU A 59 -2.964 4.278 11.030 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.968 7.126 10.268 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.930 5.766 12.137 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.725 7.501 12.006 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.263 7.254 9.514 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.719 5.599 9.863 1.00 0.00 H new ATOM 930 N GLY A 60 -1.038 6.943 11.889 1.00 0.00 N ATOM 931 CA GLY A 60 -0.038 7.133 12.917 1.00 0.00 C ATOM 932 C GLY A 60 0.751 8.407 12.705 1.00 0.00 C ATOM 933 O GLY A 60 0.192 9.427 12.298 1.00 0.00 O ATOM 0 H GLY A 60 -0.723 7.161 10.944 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.522 7.163 13.893 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.642 6.281 12.924 1.00 0.00 H new ATOM 937 N ASP A 61 2.050 8.346 12.956 1.00 0.00 N ATOM 938 CA ASP A 61 2.908 9.517 12.830 1.00 0.00 C ATOM 939 C ASP A 61 3.644 9.495 11.496 1.00 0.00 C ATOM 940 O ASP A 61 4.590 8.693 11.347 1.00 0.00 O ATOM 941 CB ASP A 61 3.911 9.564 13.983 1.00 0.00 C ATOM 942 CG ASP A 61 4.687 10.864 14.031 1.00 0.00 C ATOM 943 OD1 ASP A 61 5.755 10.953 13.395 1.00 0.00 O ATOM 944 OD2 ASP A 61 4.233 11.799 14.728 1.00 0.00 O ATOM 0 H ASP A 61 2.535 7.498 13.249 1.00 0.00 H new ATOM 0 HA ASP A 61 2.284 10.410 12.870 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.381 9.427 14.926 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.609 8.732 13.886 1.00 0.00 H new TER 949 ASP A 61