USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 426 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 50 THR OG1 : rot 95:sc= 0.162 USER MOD Set 1.2: A 52 THR OG1 : rot 180:sc= 0.199 USER MOD Set 2.1: A 45 THR OG1 : rot -8:sc= -0.286 USER MOD Set 2.2: A 54 THR OG1 : rot 148:sc= 0.859 USER MOD Single : A 2 THR OG1 : rot 33:sc= 0.199 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -3.91! C(o=-3.9!,f=-8.7!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -120:sc= -0.953 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.00262 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.26 X(o=-0.26,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.017 USER MOD Single : A 36 ASN : amide:sc= 0.0174 X(o=0.017,f=-0.068) USER MOD Single : A 38 ASN : amide:sc= 0.0182 X(o=0.018,f=-0.45) USER MOD Single : A 46 TYR OH : rot 180:sc= -1.31 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -160:sc= -1.48 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -2.025 -12.398 6.243 1.00 0.00 N ATOM 21 CA THR A 2 -2.080 -11.516 5.041 1.00 0.00 C ATOM 22 C THR A 2 -0.847 -10.602 4.994 1.00 0.00 C ATOM 23 O THR A 2 0.062 -10.820 4.216 1.00 0.00 O ATOM 24 CB THR A 2 -3.372 -10.707 5.204 1.00 0.00 C ATOM 25 OG1 THR A 2 -4.476 -11.598 5.266 1.00 0.00 O ATOM 26 CG2 THR A 2 -3.543 -9.769 4.008 1.00 0.00 C ATOM 0 HA THR A 2 -2.077 -12.079 4.108 1.00 0.00 H new ATOM 0 HB THR A 2 -3.322 -10.119 6.120 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.201 -12.429 5.707 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.462 -9.194 4.125 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.693 -9.088 3.955 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.596 -10.355 3.091 1.00 0.00 H new ATOM 34 N THR A 3 -0.805 -9.580 5.819 1.00 0.00 N ATOM 35 CA THR A 3 0.370 -8.646 5.828 1.00 0.00 C ATOM 36 C THR A 3 0.703 -8.163 4.410 1.00 0.00 C ATOM 37 O THR A 3 1.636 -8.637 3.788 1.00 0.00 O ATOM 38 CB THR A 3 1.533 -9.461 6.400 1.00 0.00 C ATOM 39 OG1 THR A 3 1.080 -10.202 7.524 1.00 0.00 O ATOM 40 CG2 THR A 3 2.661 -8.517 6.827 1.00 0.00 C ATOM 0 H THR A 3 -1.538 -9.351 6.490 1.00 0.00 H new ATOM 0 HA THR A 3 0.164 -7.754 6.419 1.00 0.00 H new ATOM 0 HB THR A 3 1.907 -10.146 5.639 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.822 -10.726 7.891 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.488 -9.099 7.234 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.007 -7.950 5.963 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.292 -7.830 7.588 1.00 0.00 H new ATOM 48 N PHE A 4 -0.051 -7.223 3.902 1.00 0.00 N ATOM 49 CA PHE A 4 0.220 -6.704 2.527 1.00 0.00 C ATOM 50 C PHE A 4 1.440 -5.782 2.551 1.00 0.00 C ATOM 51 O PHE A 4 1.666 -5.066 3.507 1.00 0.00 O ATOM 52 CB PHE A 4 -1.038 -5.930 2.134 1.00 0.00 C ATOM 53 CG PHE A 4 -1.998 -6.869 1.445 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.771 -7.250 0.119 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.108 -7.366 2.136 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.653 -8.131 -0.517 1.00 0.00 C ATOM 57 CE2 PHE A 4 -3.991 -8.245 1.499 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.763 -8.628 0.173 1.00 0.00 C ATOM 0 H PHE A 4 -0.843 -6.792 4.379 1.00 0.00 H new ATOM 0 HA PHE A 4 0.436 -7.502 1.816 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.505 -5.497 3.018 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.780 -5.103 1.472 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.915 -6.864 -0.415 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.283 -7.072 3.160 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.476 -8.427 -1.541 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.849 -8.628 2.031 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.444 -9.307 -0.318 1.00 0.00 H new ATOM 68 N LYS A 5 2.230 -5.804 1.509 1.00 0.00 N ATOM 69 CA LYS A 5 3.445 -4.933 1.471 1.00 0.00 C ATOM 70 C LYS A 5 3.220 -3.765 0.506 1.00 0.00 C ATOM 71 O LYS A 5 2.137 -3.588 -0.023 1.00 0.00 O ATOM 72 CB LYS A 5 4.576 -5.835 0.961 1.00 0.00 C ATOM 73 CG LYS A 5 4.718 -7.062 1.868 1.00 0.00 C ATOM 74 CD LYS A 5 6.122 -7.653 1.714 1.00 0.00 C ATOM 75 CE LYS A 5 6.055 -9.176 1.853 1.00 0.00 C ATOM 76 NZ LYS A 5 7.465 -9.638 1.725 1.00 0.00 N ATOM 0 H LYS A 5 2.088 -6.386 0.684 1.00 0.00 H new ATOM 0 HA LYS A 5 3.676 -4.508 2.448 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.368 -6.151 -0.061 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.513 -5.279 0.938 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.542 -6.782 2.907 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.967 -7.808 1.608 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.536 -7.384 0.742 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.788 -7.237 2.470 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.630 -9.466 2.814 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.424 -9.615 1.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.500 -10.674 1.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.841 -9.354 0.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.040 -9.209 2.478 1.00 0.00 H new ATOM 90 N LEU A 6 4.234 -2.967 0.271 1.00 0.00 N ATOM 91 CA LEU A 6 4.078 -1.809 -0.661 1.00 0.00 C ATOM 92 C LEU A 6 5.454 -1.337 -1.137 1.00 0.00 C ATOM 93 O LEU A 6 6.157 -0.645 -0.425 1.00 0.00 O ATOM 94 CB LEU A 6 3.377 -0.729 0.177 1.00 0.00 C ATOM 95 CG LEU A 6 3.249 0.577 -0.618 1.00 0.00 C ATOM 96 CD1 LEU A 6 2.113 0.454 -1.633 1.00 0.00 C ATOM 97 CD2 LEU A 6 2.944 1.727 0.344 1.00 0.00 C ATOM 0 H LEU A 6 5.161 -3.068 0.684 1.00 0.00 H new ATOM 0 HA LEU A 6 3.507 -2.056 -1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.388 -1.078 0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.941 -0.549 1.093 1.00 0.00 H new ATOM 0 HG LEU A 6 4.184 0.773 -1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.025 1.384 -2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.325 -0.366 -2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.177 0.257 -1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.852 2.657 -0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.009 1.526 0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.753 1.819 1.069 1.00 0.00 H new ATOM 109 N ILE A 7 5.828 -1.681 -2.344 1.00 0.00 N ATOM 110 CA ILE A 7 7.142 -1.230 -2.872 1.00 0.00 C ATOM 111 C ILE A 7 6.975 0.162 -3.451 1.00 0.00 C ATOM 112 O ILE A 7 6.034 0.429 -4.176 1.00 0.00 O ATOM 113 CB ILE A 7 7.525 -2.223 -3.971 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.666 -3.624 -3.372 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.862 -1.797 -4.589 1.00 0.00 C ATOM 116 CD1 ILE A 7 7.331 -4.670 -4.437 1.00 0.00 C ATOM 0 H ILE A 7 5.277 -2.255 -2.983 1.00 0.00 H new ATOM 0 HA ILE A 7 7.912 -1.194 -2.101 1.00 0.00 H new ATOM 0 HB ILE A 7 6.750 -2.235 -4.738 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.682 -3.774 -3.006 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.000 -3.734 -2.516 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.141 -2.501 -5.373 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.764 -0.799 -5.015 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.633 -1.788 -3.818 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.431 -5.668 -4.011 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.307 -4.524 -4.781 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.015 -4.564 -5.279 1.00 0.00 H new ATOM 128 N ILE A 8 7.861 1.055 -3.128 1.00 0.00 N ATOM 129 CA ILE A 8 7.724 2.440 -3.660 1.00 0.00 C ATOM 130 C ILE A 8 8.692 2.650 -4.830 1.00 0.00 C ATOM 131 O ILE A 8 9.894 2.540 -4.672 1.00 0.00 O ATOM 132 CB ILE A 8 8.075 3.394 -2.514 1.00 0.00 C ATOM 133 CG1 ILE A 8 7.533 2.870 -1.168 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.475 4.772 -2.811 1.00 0.00 C ATOM 135 CD1 ILE A 8 6.003 2.797 -1.193 1.00 0.00 C ATOM 0 H ILE A 8 8.668 0.892 -2.525 1.00 0.00 H new ATOM 0 HA ILE A 8 6.712 2.620 -4.023 1.00 0.00 H new ATOM 0 HB ILE A 8 9.160 3.464 -2.436 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.946 1.882 -0.964 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.858 3.525 -0.360 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.720 5.458 -2.000 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.886 5.154 -3.746 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.392 4.686 -2.899 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.641 2.425 -0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.594 3.791 -1.374 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.684 2.123 -1.988 1.00 0.00 H new ATOM 147 N ASN A 9 8.183 2.949 -5.999 1.00 0.00 N ATOM 148 CA ASN A 9 9.084 3.162 -7.179 1.00 0.00 C ATOM 149 C ASN A 9 9.913 4.430 -6.989 1.00 0.00 C ATOM 150 O ASN A 9 11.123 4.426 -7.115 1.00 0.00 O ATOM 151 CB ASN A 9 8.169 3.325 -8.405 1.00 0.00 C ATOM 152 CG ASN A 9 7.123 2.207 -8.463 1.00 0.00 C ATOM 153 OD1 ASN A 9 7.404 1.077 -8.116 1.00 0.00 O ATOM 154 ND2 ASN A 9 5.921 2.482 -8.893 1.00 0.00 N ATOM 0 H ASN A 9 7.187 3.055 -6.189 1.00 0.00 H new ATOM 0 HA ASN A 9 9.772 2.325 -7.299 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.670 4.293 -8.364 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.769 3.314 -9.315 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.215 1.747 -8.938 1.00 0.00 H new ATOM 0 HD22 ASN A 9 5.688 3.432 -9.184 1.00 0.00 H new ATOM 161 N GLY A 10 9.255 5.510 -6.699 1.00 0.00 N ATOM 162 CA GLY A 10 9.961 6.811 -6.504 1.00 0.00 C ATOM 163 C GLY A 10 10.921 6.711 -5.318 1.00 0.00 C ATOM 164 O GLY A 10 11.364 5.637 -4.956 1.00 0.00 O ATOM 0 H GLY A 10 8.242 5.553 -6.586 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.511 7.075 -7.407 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.236 7.606 -6.330 1.00 0.00 H new ATOM 168 N LYS A 11 11.246 7.827 -4.715 1.00 0.00 N ATOM 169 CA LYS A 11 12.180 7.809 -3.549 1.00 0.00 C ATOM 170 C LYS A 11 11.626 8.641 -2.381 1.00 0.00 C ATOM 171 O LYS A 11 12.347 8.969 -1.456 1.00 0.00 O ATOM 172 CB LYS A 11 13.488 8.413 -4.076 1.00 0.00 C ATOM 173 CG LYS A 11 13.253 9.853 -4.561 1.00 0.00 C ATOM 174 CD LYS A 11 13.812 10.023 -5.978 1.00 0.00 C ATOM 175 CE LYS A 11 12.848 9.396 -6.987 1.00 0.00 C ATOM 176 NZ LYS A 11 12.976 10.234 -8.212 1.00 0.00 N ATOM 0 H LYS A 11 10.904 8.751 -4.981 1.00 0.00 H new ATOM 0 HA LYS A 11 12.322 6.800 -3.161 1.00 0.00 H new ATOM 0 HB2 LYS A 11 14.243 8.405 -3.290 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.874 7.805 -4.894 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.187 10.080 -4.551 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.735 10.558 -3.883 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.951 11.081 -6.201 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.791 9.550 -6.053 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.109 8.357 -7.190 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.825 9.400 -6.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.344 9.866 -8.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.715 11.216 -7.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.959 10.206 -8.551 1.00 0.00 H new ATOM 190 N THR A 12 10.355 8.976 -2.406 1.00 0.00 N ATOM 191 CA THR A 12 9.767 9.776 -1.282 1.00 0.00 C ATOM 192 C THR A 12 9.919 9.000 0.030 1.00 0.00 C ATOM 193 O THR A 12 10.703 9.360 0.887 1.00 0.00 O ATOM 194 CB THR A 12 8.287 9.959 -1.637 1.00 0.00 C ATOM 195 OG1 THR A 12 7.663 8.686 -1.757 1.00 0.00 O ATOM 196 CG2 THR A 12 8.170 10.723 -2.959 1.00 0.00 C ATOM 0 H THR A 12 9.703 8.731 -3.152 1.00 0.00 H new ATOM 0 HA THR A 12 10.263 10.738 -1.152 1.00 0.00 H new ATOM 0 HB THR A 12 7.791 10.526 -0.849 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.301 8.583 -2.662 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.118 10.853 -3.212 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.643 11.700 -2.858 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.666 10.160 -3.750 1.00 0.00 H new ATOM 204 N LEU A 13 9.196 7.920 0.171 1.00 0.00 N ATOM 205 CA LEU A 13 9.315 7.088 1.405 1.00 0.00 C ATOM 206 C LEU A 13 9.703 5.658 1.000 1.00 0.00 C ATOM 207 O LEU A 13 9.171 4.686 1.498 1.00 0.00 O ATOM 208 CB LEU A 13 7.942 7.155 2.119 1.00 0.00 C ATOM 209 CG LEU A 13 6.760 6.940 1.160 1.00 0.00 C ATOM 210 CD1 LEU A 13 6.753 5.518 0.608 1.00 0.00 C ATOM 211 CD2 LEU A 13 5.460 7.176 1.935 1.00 0.00 C ATOM 0 H LEU A 13 8.526 7.577 -0.518 1.00 0.00 H new ATOM 0 HA LEU A 13 10.087 7.446 2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.909 6.400 2.904 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.838 8.125 2.605 1.00 0.00 H new ATOM 0 HG LEU A 13 6.852 7.634 0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.906 5.394 -0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.680 5.334 0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.667 4.809 1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.608 7.028 1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.399 6.473 2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.446 8.195 2.321 1.00 0.00 H new ATOM 223 N LYS A 14 10.640 5.555 0.076 1.00 0.00 N ATOM 224 CA LYS A 14 11.131 4.230 -0.454 1.00 0.00 C ATOM 225 C LYS A 14 11.135 3.111 0.598 1.00 0.00 C ATOM 226 O LYS A 14 11.536 3.314 1.728 1.00 0.00 O ATOM 227 CB LYS A 14 12.562 4.511 -0.926 1.00 0.00 C ATOM 228 CG LYS A 14 13.414 5.003 0.248 1.00 0.00 C ATOM 229 CD LYS A 14 14.749 5.535 -0.277 1.00 0.00 C ATOM 230 CE LYS A 14 15.580 4.373 -0.825 1.00 0.00 C ATOM 231 NZ LYS A 14 16.834 5.001 -1.328 1.00 0.00 N ATOM 0 H LYS A 14 11.100 6.362 -0.346 1.00 0.00 H new ATOM 0 HA LYS A 14 10.470 3.870 -1.242 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.999 3.606 -1.349 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.552 5.260 -1.718 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.886 5.787 0.791 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.586 4.189 0.952 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.576 6.274 -1.060 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.292 6.039 0.523 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.791 3.637 -0.049 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.052 3.852 -1.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.457 4.266 -1.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.603 5.692 -2.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.319 5.484 -0.545 1.00 0.00 H new ATOM 245 N GLY A 15 10.698 1.928 0.222 1.00 0.00 N ATOM 246 CA GLY A 15 10.688 0.797 1.194 1.00 0.00 C ATOM 247 C GLY A 15 9.560 -0.188 0.864 1.00 0.00 C ATOM 248 O GLY A 15 8.903 -0.090 -0.161 1.00 0.00 O ATOM 0 H GLY A 15 10.351 1.704 -0.711 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.648 0.281 1.169 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.558 1.181 2.206 1.00 0.00 H new ATOM 252 N GLU A 16 9.350 -1.138 1.741 1.00 0.00 N ATOM 253 CA GLU A 16 8.283 -2.162 1.541 1.00 0.00 C ATOM 254 C GLU A 16 7.604 -2.457 2.881 1.00 0.00 C ATOM 255 O GLU A 16 7.427 -3.599 3.259 1.00 0.00 O ATOM 256 CB GLU A 16 9.025 -3.401 1.041 1.00 0.00 C ATOM 257 CG GLU A 16 8.978 -3.451 -0.485 1.00 0.00 C ATOM 258 CD GLU A 16 9.728 -4.691 -0.977 1.00 0.00 C ATOM 259 OE1 GLU A 16 9.404 -5.775 -0.521 1.00 0.00 O ATOM 260 OE2 GLU A 16 10.613 -4.534 -1.802 1.00 0.00 O ATOM 0 H GLU A 16 9.884 -1.247 2.603 1.00 0.00 H new ATOM 0 HA GLU A 16 7.510 -1.838 0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.060 -3.378 1.382 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.572 -4.301 1.458 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.943 -3.479 -0.827 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.428 -2.551 -0.903 1.00 0.00 H new ATOM 267 N ILE A 17 7.239 -1.431 3.610 1.00 0.00 N ATOM 268 CA ILE A 17 6.582 -1.634 4.944 1.00 0.00 C ATOM 269 C ILE A 17 5.392 -2.601 4.832 1.00 0.00 C ATOM 270 O ILE A 17 4.410 -2.319 4.174 1.00 0.00 O ATOM 271 CB ILE A 17 6.118 -0.235 5.377 1.00 0.00 C ATOM 272 CG1 ILE A 17 5.460 -0.317 6.759 1.00 0.00 C ATOM 273 CG2 ILE A 17 5.116 0.326 4.361 1.00 0.00 C ATOM 274 CD1 ILE A 17 6.544 -0.386 7.837 1.00 0.00 C ATOM 0 H ILE A 17 7.367 -0.456 3.339 1.00 0.00 H new ATOM 0 HA ILE A 17 7.263 -2.079 5.669 1.00 0.00 H new ATOM 0 HB ILE A 17 6.982 0.427 5.424 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.824 0.553 6.923 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.818 -1.196 6.817 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.794 1.318 4.678 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.590 0.394 3.382 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.251 -0.334 4.300 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.076 -0.444 8.820 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.162 -1.270 7.676 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.167 0.507 7.784 1.00 0.00 H new ATOM 286 N THR A 18 5.485 -3.738 5.474 1.00 0.00 N ATOM 287 CA THR A 18 4.373 -4.735 5.418 1.00 0.00 C ATOM 288 C THR A 18 3.305 -4.387 6.457 1.00 0.00 C ATOM 289 O THR A 18 3.613 -3.910 7.534 1.00 0.00 O ATOM 290 CB THR A 18 5.024 -6.082 5.753 1.00 0.00 C ATOM 291 OG1 THR A 18 5.554 -6.032 7.070 1.00 0.00 O ATOM 292 CG2 THR A 18 6.150 -6.385 4.761 1.00 0.00 C ATOM 0 H THR A 18 6.287 -4.020 6.037 1.00 0.00 H new ATOM 0 HA THR A 18 3.883 -4.752 4.445 1.00 0.00 H new ATOM 0 HB THR A 18 4.272 -6.869 5.686 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.970 -6.892 7.288 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.605 -7.344 5.009 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.743 -6.427 3.751 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.905 -5.600 4.816 1.00 0.00 H new ATOM 300 N ILE A 19 2.055 -4.624 6.147 1.00 0.00 N ATOM 301 CA ILE A 19 0.967 -4.308 7.128 1.00 0.00 C ATOM 302 C ILE A 19 -0.145 -5.362 7.068 1.00 0.00 C ATOM 303 O ILE A 19 -0.589 -5.750 6.005 1.00 0.00 O ATOM 304 CB ILE A 19 0.430 -2.927 6.727 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.143 -2.976 5.304 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.566 -1.900 6.781 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.657 -3.199 5.370 1.00 0.00 C ATOM 0 H ILE A 19 1.740 -5.021 5.262 1.00 0.00 H new ATOM 0 HA ILE A 19 1.341 -4.310 8.152 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.360 -2.639 7.421 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.076 -2.045 4.780 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.329 -3.779 4.738 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.184 -0.920 6.496 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.966 -1.853 7.794 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.357 -2.196 6.092 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.064 -3.234 4.359 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.864 -4.141 5.877 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.122 -2.381 5.920 1.00 0.00 H new ATOM 319 N GLU A 20 -0.597 -5.818 8.211 1.00 0.00 N ATOM 320 CA GLU A 20 -1.685 -6.843 8.241 1.00 0.00 C ATOM 321 C GLU A 20 -3.035 -6.187 7.945 1.00 0.00 C ATOM 322 O GLU A 20 -3.333 -5.115 8.434 1.00 0.00 O ATOM 323 CB GLU A 20 -1.663 -7.406 9.664 1.00 0.00 C ATOM 324 CG GLU A 20 -2.596 -8.615 9.752 1.00 0.00 C ATOM 325 CD GLU A 20 -2.562 -9.182 11.172 1.00 0.00 C ATOM 326 OE1 GLU A 20 -3.119 -8.551 12.055 1.00 0.00 O ATOM 327 OE2 GLU A 20 -1.978 -10.239 11.354 1.00 0.00 O ATOM 0 H GLU A 20 -0.258 -5.523 9.127 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.538 -7.622 7.493 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.648 -7.697 9.935 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.976 -6.640 10.374 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.613 -8.323 9.490 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.289 -9.378 9.037 1.00 0.00 H new ATOM 334 N ALA A 21 -3.850 -6.827 7.145 1.00 0.00 N ATOM 335 CA ALA A 21 -5.185 -6.247 6.810 1.00 0.00 C ATOM 336 C ALA A 21 -6.159 -7.357 6.412 1.00 0.00 C ATOM 337 O ALA A 21 -5.758 -8.432 6.006 1.00 0.00 O ATOM 338 CB ALA A 21 -4.923 -5.315 5.625 1.00 0.00 C ATOM 0 H ALA A 21 -3.648 -7.727 6.709 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.631 -5.721 7.654 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.858 -4.847 5.316 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.211 -4.544 5.919 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.513 -5.889 4.794 1.00 0.00 H new ATOM 344 N VAL A 22 -7.440 -7.104 6.529 1.00 0.00 N ATOM 345 CA VAL A 22 -8.459 -8.136 6.162 1.00 0.00 C ATOM 346 C VAL A 22 -8.224 -8.642 4.731 1.00 0.00 C ATOM 347 O VAL A 22 -8.352 -9.818 4.449 1.00 0.00 O ATOM 348 CB VAL A 22 -9.815 -7.420 6.274 1.00 0.00 C ATOM 349 CG1 VAL A 22 -9.856 -6.224 5.316 1.00 0.00 C ATOM 350 CG2 VAL A 22 -10.942 -8.393 5.918 1.00 0.00 C ATOM 0 H VAL A 22 -7.825 -6.221 6.865 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.408 -9.010 6.811 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.946 -7.067 7.297 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.820 -5.722 5.401 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.059 -5.525 5.572 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.718 -6.573 4.293 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.902 -7.883 5.998 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.805 -8.750 4.897 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.922 -9.239 6.605 1.00 0.00 H new ATOM 360 N ASP A 23 -7.881 -7.754 3.835 1.00 0.00 N ATOM 361 CA ASP A 23 -7.631 -8.158 2.422 1.00 0.00 C ATOM 362 C ASP A 23 -6.784 -7.090 1.731 1.00 0.00 C ATOM 363 O ASP A 23 -6.428 -6.092 2.330 1.00 0.00 O ATOM 364 CB ASP A 23 -9.016 -8.244 1.780 1.00 0.00 C ATOM 365 CG ASP A 23 -9.603 -9.636 2.016 1.00 0.00 C ATOM 366 OD1 ASP A 23 -8.940 -10.602 1.675 1.00 0.00 O ATOM 367 OD2 ASP A 23 -10.706 -9.712 2.533 1.00 0.00 O ATOM 0 H ASP A 23 -7.763 -6.759 4.024 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.094 -9.103 2.344 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.673 -7.484 2.204 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.946 -8.044 0.711 1.00 0.00 H new ATOM 372 N ALA A 24 -6.458 -7.288 0.479 1.00 0.00 N ATOM 373 CA ALA A 24 -5.632 -6.275 -0.240 1.00 0.00 C ATOM 374 C ALA A 24 -6.408 -4.962 -0.350 1.00 0.00 C ATOM 375 O ALA A 24 -5.831 -3.891 -0.389 1.00 0.00 O ATOM 376 CB ALA A 24 -5.369 -6.860 -1.627 1.00 0.00 C ATOM 0 H ALA A 24 -6.727 -8.103 -0.073 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.699 -6.062 0.282 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.765 -6.163 -2.208 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.836 -7.806 -1.528 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.318 -7.030 -2.136 1.00 0.00 H new ATOM 382 N ALA A 25 -7.718 -5.036 -0.393 1.00 0.00 N ATOM 383 CA ALA A 25 -8.547 -3.797 -0.492 1.00 0.00 C ATOM 384 C ALA A 25 -8.220 -2.854 0.669 1.00 0.00 C ATOM 385 O ALA A 25 -7.931 -1.688 0.471 1.00 0.00 O ATOM 386 CB ALA A 25 -10.001 -4.269 -0.402 1.00 0.00 C ATOM 0 H ALA A 25 -8.249 -5.907 -0.363 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.358 -3.251 -1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.667 -3.409 -0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.212 -4.955 -1.222 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.160 -4.779 0.548 1.00 0.00 H new ATOM 392 N GLU A 26 -8.248 -3.361 1.875 1.00 0.00 N ATOM 393 CA GLU A 26 -7.923 -2.508 3.057 1.00 0.00 C ATOM 394 C GLU A 26 -6.446 -2.120 3.003 1.00 0.00 C ATOM 395 O GLU A 26 -6.082 -0.988 3.260 1.00 0.00 O ATOM 396 CB GLU A 26 -8.212 -3.380 4.283 1.00 0.00 C ATOM 397 CG GLU A 26 -9.529 -2.942 4.926 1.00 0.00 C ATOM 398 CD GLU A 26 -9.310 -1.645 5.706 1.00 0.00 C ATOM 399 OE1 GLU A 26 -8.275 -1.527 6.341 1.00 0.00 O ATOM 400 OE2 GLU A 26 -10.180 -0.791 5.655 1.00 0.00 O ATOM 0 H GLU A 26 -8.482 -4.330 2.092 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.505 -1.587 3.085 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.270 -4.428 3.991 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.398 -3.294 5.003 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.289 -2.793 4.159 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.897 -3.722 5.593 1.00 0.00 H new ATOM 407 N ALA A 27 -5.592 -3.053 2.654 1.00 0.00 N ATOM 408 CA ALA A 27 -4.127 -2.744 2.558 1.00 0.00 C ATOM 409 C ALA A 27 -3.907 -1.552 1.626 1.00 0.00 C ATOM 410 O ALA A 27 -3.211 -0.613 1.960 1.00 0.00 O ATOM 411 CB ALA A 27 -3.480 -4.000 1.974 1.00 0.00 C ATOM 0 H ALA A 27 -5.845 -4.016 2.431 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.699 -2.485 3.527 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.406 -3.844 1.876 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.665 -4.846 2.636 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.907 -4.207 0.993 1.00 0.00 H new ATOM 417 N GLU A 28 -4.516 -1.577 0.462 1.00 0.00 N ATOM 418 CA GLU A 28 -4.362 -0.435 -0.493 1.00 0.00 C ATOM 419 C GLU A 28 -4.834 0.857 0.180 1.00 0.00 C ATOM 420 O GLU A 28 -4.249 1.903 0.001 1.00 0.00 O ATOM 421 CB GLU A 28 -5.249 -0.775 -1.693 1.00 0.00 C ATOM 422 CG GLU A 28 -4.773 0.005 -2.924 1.00 0.00 C ATOM 423 CD GLU A 28 -5.776 -0.175 -4.065 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.965 -0.150 -3.791 1.00 0.00 O ATOM 425 OE2 GLU A 28 -5.339 -0.337 -5.192 1.00 0.00 O ATOM 0 H GLU A 28 -5.111 -2.338 0.134 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.327 -0.287 -0.800 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.213 -1.846 -1.893 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.287 -0.527 -1.472 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.671 1.062 -2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.789 -0.348 -3.232 1.00 0.00 H new ATOM 432 N LYS A 29 -5.876 0.777 0.974 1.00 0.00 N ATOM 433 CA LYS A 29 -6.375 1.995 1.683 1.00 0.00 C ATOM 434 C LYS A 29 -5.353 2.413 2.744 1.00 0.00 C ATOM 435 O LYS A 29 -4.906 3.547 2.781 1.00 0.00 O ATOM 436 CB LYS A 29 -7.692 1.569 2.341 1.00 0.00 C ATOM 437 CG LYS A 29 -8.715 1.204 1.259 1.00 0.00 C ATOM 438 CD LYS A 29 -9.680 2.375 1.044 1.00 0.00 C ATOM 439 CE LYS A 29 -9.084 3.348 0.023 1.00 0.00 C ATOM 440 NZ LYS A 29 -10.248 3.834 -0.769 1.00 0.00 N ATOM 0 H LYS A 29 -6.400 -0.078 1.160 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.522 2.842 1.013 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.522 0.716 2.998 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.078 2.377 2.962 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.203 0.966 0.327 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.269 0.313 1.555 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.643 2.006 0.691 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.862 2.888 1.988 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.570 4.173 0.517 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.352 2.852 -0.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.920 4.507 -1.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.713 3.028 -1.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.925 4.307 -0.137 1.00 0.00 H new ATOM 454 N ILE A 30 -4.964 1.493 3.594 1.00 0.00 N ATOM 455 CA ILE A 30 -3.950 1.814 4.649 1.00 0.00 C ATOM 456 C ILE A 30 -2.665 2.303 3.976 1.00 0.00 C ATOM 457 O ILE A 30 -1.996 3.196 4.460 1.00 0.00 O ATOM 458 CB ILE A 30 -3.702 0.495 5.393 1.00 0.00 C ATOM 459 CG1 ILE A 30 -5.007 0.015 6.034 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.654 0.704 6.489 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.984 -1.511 6.157 1.00 0.00 C ATOM 0 H ILE A 30 -5.305 0.532 3.603 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.286 2.595 5.331 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.342 -0.250 4.684 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.130 0.468 7.018 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.858 0.329 5.430 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.483 -0.236 7.013 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.721 1.044 6.040 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.011 1.453 7.196 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.913 -1.853 6.613 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.881 -1.954 5.167 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.141 -1.813 6.779 1.00 0.00 H new ATOM 473 N PHE A 31 -2.337 1.727 2.850 1.00 0.00 N ATOM 474 CA PHE A 31 -1.115 2.154 2.114 1.00 0.00 C ATOM 475 C PHE A 31 -1.388 3.492 1.424 1.00 0.00 C ATOM 476 O PHE A 31 -0.537 4.360 1.372 1.00 0.00 O ATOM 477 CB PHE A 31 -0.860 1.056 1.077 1.00 0.00 C ATOM 478 CG PHE A 31 -0.018 -0.039 1.687 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.195 0.273 2.308 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.451 -1.369 1.624 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.978 -0.743 2.869 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.331 -2.386 2.185 1.00 0.00 C ATOM 483 CZ PHE A 31 1.546 -2.073 2.808 1.00 0.00 C ATOM 0 H PHE A 31 -2.867 0.976 2.408 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.254 2.287 2.769 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.808 0.646 0.727 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.354 1.475 0.207 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.529 1.299 2.355 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.387 -1.610 1.143 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.915 -0.501 3.349 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.003 -3.412 2.137 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.149 -2.857 3.241 1.00 0.00 H new ATOM 493 N LYS A 32 -2.575 3.660 0.890 1.00 0.00 N ATOM 494 CA LYS A 32 -2.921 4.933 0.197 1.00 0.00 C ATOM 495 C LYS A 32 -3.204 6.064 1.197 1.00 0.00 C ATOM 496 O LYS A 32 -3.463 7.186 0.803 1.00 0.00 O ATOM 497 CB LYS A 32 -4.167 4.630 -0.631 1.00 0.00 C ATOM 498 CG LYS A 32 -3.758 3.887 -1.904 1.00 0.00 C ATOM 499 CD LYS A 32 -5.010 3.509 -2.699 1.00 0.00 C ATOM 500 CE LYS A 32 -5.699 4.779 -3.204 1.00 0.00 C ATOM 501 NZ LYS A 32 -6.161 4.443 -4.580 1.00 0.00 N ATOM 0 H LYS A 32 -3.320 2.964 0.907 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.092 5.275 -0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.865 4.026 -0.052 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.683 5.556 -0.886 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.105 4.515 -2.510 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.192 2.991 -1.649 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.740 2.870 -3.540 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.693 2.937 -2.071 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.536 5.056 -2.563 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.011 5.625 -3.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.644 5.265 -4.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.342 4.190 -5.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.819 3.639 -4.538 1.00 0.00 H new ATOM 515 N GLN A 33 -3.107 5.801 2.479 1.00 0.00 N ATOM 516 CA GLN A 33 -3.314 6.889 3.487 1.00 0.00 C ATOM 517 C GLN A 33 -1.929 7.216 4.010 1.00 0.00 C ATOM 518 O GLN A 33 -1.503 8.351 4.082 1.00 0.00 O ATOM 519 CB GLN A 33 -4.194 6.281 4.583 1.00 0.00 C ATOM 520 CG GLN A 33 -4.527 7.354 5.623 1.00 0.00 C ATOM 521 CD GLN A 33 -5.287 6.718 6.788 1.00 0.00 C ATOM 522 OE1 GLN A 33 -5.013 7.006 7.938 1.00 0.00 O ATOM 523 NE2 GLN A 33 -6.239 5.860 6.540 1.00 0.00 N ATOM 0 H GLN A 33 -2.894 4.883 2.870 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.788 7.792 3.102 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.111 5.883 4.149 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.678 5.447 5.058 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.611 7.822 5.985 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.129 8.141 5.169 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.469 5.618 5.576 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.753 5.431 7.310 1.00 0.00 H new ATOM 532 N TYR A 34 -1.206 6.171 4.296 1.00 0.00 N ATOM 533 CA TYR A 34 0.210 6.271 4.742 1.00 0.00 C ATOM 534 C TYR A 34 0.988 7.162 3.746 1.00 0.00 C ATOM 535 O TYR A 34 1.824 7.960 4.122 1.00 0.00 O ATOM 536 CB TYR A 34 0.642 4.791 4.678 1.00 0.00 C ATOM 537 CG TYR A 34 2.135 4.633 4.459 1.00 0.00 C ATOM 538 CD1 TYR A 34 2.646 4.563 3.157 1.00 0.00 C ATOM 539 CD2 TYR A 34 3.002 4.555 5.556 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.023 4.415 2.952 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.379 4.407 5.351 1.00 0.00 C ATOM 542 CZ TYR A 34 4.889 4.337 4.049 1.00 0.00 C ATOM 543 OH TYR A 34 6.246 4.192 3.847 1.00 0.00 O ATOM 0 H TYR A 34 -1.554 5.214 4.236 1.00 0.00 H new ATOM 0 HA TYR A 34 0.378 6.719 5.722 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.359 4.292 5.605 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.104 4.293 3.871 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.978 4.623 2.311 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.608 4.609 6.560 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.417 4.361 1.948 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.048 4.347 6.197 1.00 0.00 H new ATOM 0 HH TYR A 34 6.704 4.155 4.713 1.00 0.00 H new ATOM 553 N ALA A 35 0.687 7.020 2.479 1.00 0.00 N ATOM 554 CA ALA A 35 1.368 7.844 1.431 1.00 0.00 C ATOM 555 C ALA A 35 0.998 9.319 1.603 1.00 0.00 C ATOM 556 O ALA A 35 1.850 10.188 1.608 1.00 0.00 O ATOM 557 CB ALA A 35 0.824 7.322 0.100 1.00 0.00 C ATOM 0 H ALA A 35 -0.007 6.363 2.122 1.00 0.00 H new ATOM 0 HA ALA A 35 2.454 7.770 1.490 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.277 7.878 -0.721 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.065 6.264 -0.002 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.258 7.452 0.073 1.00 0.00 H new ATOM 563 N ASN A 36 -0.273 9.603 1.739 1.00 0.00 N ATOM 564 CA ASN A 36 -0.721 11.020 1.905 1.00 0.00 C ATOM 565 C ASN A 36 -0.103 11.634 3.163 1.00 0.00 C ATOM 566 O ASN A 36 0.431 12.727 3.130 1.00 0.00 O ATOM 567 CB ASN A 36 -2.241 10.948 2.041 1.00 0.00 C ATOM 568 CG ASN A 36 -2.874 10.852 0.652 1.00 0.00 C ATOM 569 OD1 ASN A 36 -3.392 11.826 0.141 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.855 9.714 0.014 1.00 0.00 N ATOM 0 H ASN A 36 -1.023 8.912 1.742 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.415 11.643 1.065 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.522 10.083 2.641 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.612 11.831 2.561 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.275 9.642 -0.913 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.421 8.896 0.442 1.00 0.00 H new ATOM 577 N ASP A 37 -0.173 10.939 4.272 1.00 0.00 N ATOM 578 CA ASP A 37 0.409 11.481 5.544 1.00 0.00 C ATOM 579 C ASP A 37 1.888 11.832 5.359 1.00 0.00 C ATOM 580 O ASP A 37 2.431 12.671 6.053 1.00 0.00 O ATOM 581 CB ASP A 37 0.250 10.359 6.572 1.00 0.00 C ATOM 582 CG ASP A 37 0.184 10.960 7.978 1.00 0.00 C ATOM 583 OD1 ASP A 37 0.944 11.877 8.245 1.00 0.00 O ATOM 584 OD2 ASP A 37 -0.625 10.494 8.763 1.00 0.00 O ATOM 0 H ASP A 37 -0.608 10.020 4.353 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.092 12.396 5.858 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.656 9.788 6.366 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.087 9.665 6.501 1.00 0.00 H new ATOM 589 N ASN A 38 2.533 11.194 4.426 1.00 0.00 N ATOM 590 CA ASN A 38 3.969 11.467 4.171 1.00 0.00 C ATOM 591 C ASN A 38 4.126 12.407 2.973 1.00 0.00 C ATOM 592 O ASN A 38 5.089 13.143 2.873 1.00 0.00 O ATOM 593 CB ASN A 38 4.584 10.101 3.868 1.00 0.00 C ATOM 594 CG ASN A 38 4.925 9.393 5.179 1.00 0.00 C ATOM 595 OD1 ASN A 38 5.528 9.975 6.059 1.00 0.00 O ATOM 596 ND2 ASN A 38 4.560 8.151 5.349 1.00 0.00 N ATOM 0 H ASN A 38 2.118 10.485 3.821 1.00 0.00 H new ATOM 0 HA ASN A 38 4.454 11.953 5.018 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.887 9.497 3.287 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.483 10.221 3.263 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.781 7.669 6.220 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.054 7.663 4.610 1.00 0.00 H new ATOM 603 N GLY A 39 3.185 12.381 2.062 1.00 0.00 N ATOM 604 CA GLY A 39 3.269 13.263 0.862 1.00 0.00 C ATOM 605 C GLY A 39 3.607 12.414 -0.363 1.00 0.00 C ATOM 606 O GLY A 39 4.458 12.767 -1.158 1.00 0.00 O ATOM 0 H GLY A 39 2.359 11.783 2.100 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.322 13.782 0.710 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.031 14.028 1.011 1.00 0.00 H new ATOM 610 N ILE A 40 2.947 11.294 -0.515 1.00 0.00 N ATOM 611 CA ILE A 40 3.221 10.407 -1.680 1.00 0.00 C ATOM 612 C ILE A 40 2.051 10.479 -2.668 1.00 0.00 C ATOM 613 O ILE A 40 0.905 10.280 -2.313 1.00 0.00 O ATOM 614 CB ILE A 40 3.407 9.012 -1.043 1.00 0.00 C ATOM 615 CG1 ILE A 40 4.885 8.820 -0.732 1.00 0.00 C ATOM 616 CG2 ILE A 40 2.950 7.866 -1.953 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.269 9.753 0.412 1.00 0.00 C ATOM 0 H ILE A 40 2.226 10.956 0.123 1.00 0.00 H new ATOM 0 HA ILE A 40 4.099 10.684 -2.264 1.00 0.00 H new ATOM 0 HB ILE A 40 2.789 8.979 -0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.082 7.784 -0.457 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.488 9.036 -1.614 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.108 6.914 -1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.891 7.984 -2.183 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.526 7.884 -2.878 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.326 9.626 0.646 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.084 10.786 0.117 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.672 9.515 1.292 1.00 0.00 H new ATOM 629 N ASP A 41 2.351 10.766 -3.901 1.00 0.00 N ATOM 630 CA ASP A 41 1.281 10.861 -4.941 1.00 0.00 C ATOM 631 C ASP A 41 1.886 10.770 -6.344 1.00 0.00 C ATOM 632 O ASP A 41 2.441 11.727 -6.852 1.00 0.00 O ATOM 633 CB ASP A 41 0.640 12.232 -4.725 1.00 0.00 C ATOM 634 CG ASP A 41 -0.640 12.334 -5.556 1.00 0.00 C ATOM 635 OD1 ASP A 41 -1.475 11.453 -5.431 1.00 0.00 O ATOM 636 OD2 ASP A 41 -0.763 13.290 -6.305 1.00 0.00 O ATOM 0 H ASP A 41 3.297 10.941 -4.240 1.00 0.00 H new ATOM 0 HA ASP A 41 0.557 10.051 -4.857 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.413 12.377 -3.669 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.336 13.020 -5.012 1.00 0.00 H new ATOM 641 N GLY A 42 1.783 9.625 -6.971 1.00 0.00 N ATOM 642 CA GLY A 42 2.351 9.462 -8.342 1.00 0.00 C ATOM 643 C GLY A 42 1.687 8.274 -9.043 1.00 0.00 C ATOM 644 O GLY A 42 1.117 8.414 -10.108 1.00 0.00 O ATOM 0 H GLY A 42 1.329 8.795 -6.591 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.193 10.372 -8.921 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.428 9.305 -8.283 1.00 0.00 H new ATOM 648 N GLU A 43 1.763 7.104 -8.456 1.00 0.00 N ATOM 649 CA GLU A 43 1.143 5.899 -9.091 1.00 0.00 C ATOM 650 C GLU A 43 0.679 4.906 -8.024 1.00 0.00 C ATOM 651 O GLU A 43 1.012 5.037 -6.869 1.00 0.00 O ATOM 652 CB GLU A 43 2.259 5.280 -9.934 1.00 0.00 C ATOM 653 CG GLU A 43 2.667 6.255 -11.040 1.00 0.00 C ATOM 654 CD GLU A 43 3.553 5.533 -12.058 1.00 0.00 C ATOM 655 OE1 GLU A 43 4.361 4.720 -11.641 1.00 0.00 O ATOM 656 OE2 GLU A 43 3.405 5.803 -13.238 1.00 0.00 O ATOM 0 H GLU A 43 2.228 6.932 -7.565 1.00 0.00 H new ATOM 0 HA GLU A 43 0.267 6.158 -9.686 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.118 5.048 -9.305 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.921 4.340 -10.370 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.780 6.654 -11.533 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.203 7.103 -10.612 1.00 0.00 H new ATOM 663 N TRP A 44 -0.075 3.908 -8.419 1.00 0.00 N ATOM 664 CA TRP A 44 -0.565 2.872 -7.451 1.00 0.00 C ATOM 665 C TRP A 44 -0.964 1.612 -8.217 1.00 0.00 C ATOM 666 O TRP A 44 -1.825 1.650 -9.076 1.00 0.00 O ATOM 667 CB TRP A 44 -1.802 3.472 -6.772 1.00 0.00 C ATOM 668 CG TRP A 44 -1.387 4.274 -5.591 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.258 5.620 -5.549 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.058 3.787 -4.272 1.00 0.00 C ATOM 671 NE1 TRP A 44 -0.839 5.984 -4.282 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.705 4.885 -3.457 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.026 2.500 -3.717 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.327 4.712 -2.129 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.648 2.320 -2.377 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.297 3.426 -1.586 1.00 0.00 C ATOM 0 H TRP A 44 -0.376 3.764 -9.383 1.00 0.00 H new ATOM 0 HA TRP A 44 0.202 2.606 -6.723 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.347 4.100 -7.477 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.481 2.677 -6.463 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.450 6.297 -6.368 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.652 6.944 -3.993 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.293 1.646 -4.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.059 5.565 -1.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.627 1.327 -1.953 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.004 3.282 -0.557 1.00 0.00 H new ATOM 687 N THR A 45 -0.349 0.500 -7.913 1.00 0.00 N ATOM 688 CA THR A 45 -0.698 -0.767 -8.627 1.00 0.00 C ATOM 689 C THR A 45 -0.639 -1.931 -7.652 1.00 0.00 C ATOM 690 O THR A 45 0.317 -2.081 -6.920 1.00 0.00 O ATOM 691 CB THR A 45 0.352 -0.958 -9.731 1.00 0.00 C ATOM 692 OG1 THR A 45 1.574 -1.394 -9.154 1.00 0.00 O ATOM 693 CG2 THR A 45 0.583 0.353 -10.481 1.00 0.00 C ATOM 0 H THR A 45 0.378 0.412 -7.203 1.00 0.00 H new ATOM 0 HA THR A 45 -1.703 -0.722 -9.047 1.00 0.00 H new ATOM 0 HB THR A 45 -0.012 -1.707 -10.435 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.511 -1.344 -8.177 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.330 0.200 -11.260 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.352 0.682 -10.935 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.936 1.113 -9.784 1.00 0.00 H new ATOM 701 N TYR A 46 -1.647 -2.756 -7.646 1.00 0.00 N ATOM 702 CA TYR A 46 -1.652 -3.922 -6.719 1.00 0.00 C ATOM 703 C TYR A 46 -1.160 -5.178 -7.451 1.00 0.00 C ATOM 704 O TYR A 46 -1.439 -5.381 -8.618 1.00 0.00 O ATOM 705 CB TYR A 46 -3.114 -4.077 -6.269 1.00 0.00 C ATOM 706 CG TYR A 46 -3.277 -5.366 -5.486 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.455 -5.620 -4.384 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.233 -6.310 -5.879 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.591 -6.815 -3.669 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.366 -7.507 -5.166 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.547 -7.760 -4.061 1.00 0.00 C ATOM 712 OH TYR A 46 -3.679 -8.939 -3.358 1.00 0.00 O ATOM 0 H TYR A 46 -2.469 -2.674 -8.244 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.989 -3.778 -5.866 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.406 -3.227 -5.653 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.773 -4.083 -7.137 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.714 -4.893 -4.084 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.867 -6.115 -6.731 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.959 -7.008 -2.815 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.102 -8.236 -5.470 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.388 -9.482 -3.761 1.00 0.00 H new ATOM 722 N ASP A 47 -0.446 -6.025 -6.758 1.00 0.00 N ATOM 723 CA ASP A 47 0.054 -7.283 -7.384 1.00 0.00 C ATOM 724 C ASP A 47 -0.599 -8.483 -6.698 1.00 0.00 C ATOM 725 O ASP A 47 -0.188 -8.895 -5.630 1.00 0.00 O ATOM 726 CB ASP A 47 1.564 -7.283 -7.150 1.00 0.00 C ATOM 727 CG ASP A 47 2.197 -6.103 -7.893 1.00 0.00 C ATOM 728 OD1 ASP A 47 1.825 -4.978 -7.603 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.043 -6.346 -8.737 1.00 0.00 O ATOM 0 H ASP A 47 -0.186 -5.898 -5.780 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.181 -7.344 -8.447 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.777 -7.211 -6.083 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.997 -8.221 -7.499 1.00 0.00 H new ATOM 734 N ASP A 48 -1.617 -9.042 -7.305 1.00 0.00 N ATOM 735 CA ASP A 48 -2.315 -10.218 -6.694 1.00 0.00 C ATOM 736 C ASP A 48 -1.431 -11.477 -6.725 1.00 0.00 C ATOM 737 O ASP A 48 -1.793 -12.503 -6.180 1.00 0.00 O ATOM 738 CB ASP A 48 -3.569 -10.426 -7.546 1.00 0.00 C ATOM 739 CG ASP A 48 -4.431 -11.527 -6.927 1.00 0.00 C ATOM 740 OD1 ASP A 48 -4.564 -11.538 -5.715 1.00 0.00 O ATOM 741 OD2 ASP A 48 -4.946 -12.341 -7.677 1.00 0.00 O ATOM 0 H ASP A 48 -1.996 -8.734 -8.200 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.550 -10.038 -5.645 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.137 -9.498 -7.609 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.289 -10.698 -8.564 1.00 0.00 H new ATOM 746 N ALA A 49 -0.279 -11.409 -7.347 1.00 0.00 N ATOM 747 CA ALA A 49 0.623 -12.595 -7.402 1.00 0.00 C ATOM 748 C ALA A 49 1.543 -12.597 -6.181 1.00 0.00 C ATOM 749 O ALA A 49 1.960 -13.638 -5.708 1.00 0.00 O ATOM 750 CB ALA A 49 1.434 -12.420 -8.686 1.00 0.00 C ATOM 0 H ALA A 49 0.074 -10.577 -7.820 1.00 0.00 H new ATOM 0 HA ALA A 49 0.076 -13.538 -7.397 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.124 -13.257 -8.798 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.759 -12.389 -9.541 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.998 -11.489 -8.636 1.00 0.00 H new ATOM 756 N THR A 50 1.846 -11.435 -5.658 1.00 0.00 N ATOM 757 CA THR A 50 2.725 -11.355 -4.457 1.00 0.00 C ATOM 758 C THR A 50 2.066 -10.486 -3.377 1.00 0.00 C ATOM 759 O THR A 50 2.678 -10.162 -2.378 1.00 0.00 O ATOM 760 CB THR A 50 4.017 -10.703 -4.953 1.00 0.00 C ATOM 761 OG1 THR A 50 3.720 -9.428 -5.504 1.00 0.00 O ATOM 762 CG2 THR A 50 4.658 -11.586 -6.022 1.00 0.00 C ATOM 0 H THR A 50 1.520 -10.537 -6.014 1.00 0.00 H new ATOM 0 HA THR A 50 2.907 -12.333 -4.013 1.00 0.00 H new ATOM 0 HB THR A 50 4.709 -10.587 -4.119 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.845 -8.738 -4.819 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.578 -11.120 -6.375 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.885 -12.564 -5.598 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.968 -11.705 -6.858 1.00 0.00 H new ATOM 770 N LYS A 51 0.820 -10.098 -3.572 1.00 0.00 N ATOM 771 CA LYS A 51 0.116 -9.243 -2.560 1.00 0.00 C ATOM 772 C LYS A 51 0.945 -7.991 -2.256 1.00 0.00 C ATOM 773 O LYS A 51 1.069 -7.577 -1.118 1.00 0.00 O ATOM 774 CB LYS A 51 -0.025 -10.112 -1.306 1.00 0.00 C ATOM 775 CG LYS A 51 -0.864 -11.350 -1.631 1.00 0.00 C ATOM 776 CD LYS A 51 -2.320 -11.104 -1.232 1.00 0.00 C ATOM 777 CE LYS A 51 -3.074 -12.435 -1.204 1.00 0.00 C ATOM 778 NZ LYS A 51 -3.630 -12.590 -2.577 1.00 0.00 N ATOM 0 H LYS A 51 0.263 -10.339 -4.391 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.855 -8.905 -2.922 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.959 -10.412 -0.946 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.496 -9.541 -0.506 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.801 -11.575 -2.696 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.472 -12.217 -1.099 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.364 -10.628 -0.252 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.792 -10.422 -1.939 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.409 -13.261 -0.952 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.867 -12.424 -0.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.162 -13.482 -2.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.265 -11.793 -2.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.852 -12.604 -3.267 1.00 0.00 H new ATOM 792 N THR A 52 1.517 -7.392 -3.270 1.00 0.00 N ATOM 793 CA THR A 52 2.347 -6.168 -3.046 1.00 0.00 C ATOM 794 C THR A 52 1.868 -5.018 -3.939 1.00 0.00 C ATOM 795 O THR A 52 1.687 -5.183 -5.129 1.00 0.00 O ATOM 796 CB THR A 52 3.771 -6.582 -3.424 1.00 0.00 C ATOM 797 OG1 THR A 52 4.038 -7.879 -2.911 1.00 0.00 O ATOM 798 CG2 THR A 52 4.767 -5.582 -2.835 1.00 0.00 C ATOM 0 H THR A 52 1.446 -7.696 -4.241 1.00 0.00 H new ATOM 0 HA THR A 52 2.281 -5.813 -2.018 1.00 0.00 H new ATOM 0 HB THR A 52 3.871 -6.594 -4.509 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.949 -8.146 -3.154 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.781 -5.877 -3.104 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.561 -4.587 -3.231 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.669 -5.568 -1.749 1.00 0.00 H new ATOM 806 N PHE A 53 1.667 -3.853 -3.370 1.00 0.00 N ATOM 807 CA PHE A 53 1.207 -2.688 -4.185 1.00 0.00 C ATOM 808 C PHE A 53 2.423 -1.945 -4.760 1.00 0.00 C ATOM 809 O PHE A 53 3.544 -2.401 -4.622 1.00 0.00 O ATOM 810 CB PHE A 53 0.419 -1.806 -3.213 1.00 0.00 C ATOM 811 CG PHE A 53 -0.887 -2.484 -2.865 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.917 -3.492 -1.891 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.070 -2.109 -3.517 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.127 -4.123 -1.568 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.277 -2.744 -3.194 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.306 -3.746 -2.220 1.00 0.00 C ATOM 0 H PHE A 53 1.802 -3.661 -2.377 1.00 0.00 H new ATOM 0 HA PHE A 53 0.591 -2.983 -5.035 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.002 -1.631 -2.309 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.227 -0.832 -3.663 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.006 -3.783 -1.388 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.051 -1.332 -4.267 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.149 -4.899 -0.817 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.188 -2.458 -3.699 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.239 -4.229 -1.971 1.00 0.00 H new ATOM 826 N THR A 54 2.226 -0.813 -5.403 1.00 0.00 N ATOM 827 CA THR A 54 3.387 -0.069 -5.975 1.00 0.00 C ATOM 828 C THR A 54 3.023 1.405 -6.067 1.00 0.00 C ATOM 829 O THR A 54 2.281 1.816 -6.941 1.00 0.00 O ATOM 830 CB THR A 54 3.619 -0.656 -7.373 1.00 0.00 C ATOM 831 OG1 THR A 54 3.226 -2.024 -7.399 1.00 0.00 O ATOM 832 CG2 THR A 54 5.103 -0.549 -7.726 1.00 0.00 C ATOM 0 H THR A 54 1.315 -0.379 -5.553 1.00 0.00 H new ATOM 0 HA THR A 54 4.285 -0.160 -5.364 1.00 0.00 H new ATOM 0 HB THR A 54 3.025 -0.100 -8.098 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.893 -2.252 -8.292 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.272 -0.965 -8.719 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.405 0.498 -7.715 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.692 -1.104 -6.995 1.00 0.00 H new ATOM 840 N VAL A 55 3.516 2.197 -5.157 1.00 0.00 N ATOM 841 CA VAL A 55 3.174 3.646 -5.171 1.00 0.00 C ATOM 842 C VAL A 55 4.414 4.504 -5.422 1.00 0.00 C ATOM 843 O VAL A 55 5.493 4.225 -4.935 1.00 0.00 O ATOM 844 CB VAL A 55 2.556 3.928 -3.790 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.517 3.487 -2.685 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.263 5.425 -3.640 1.00 0.00 C ATOM 0 H VAL A 55 4.140 1.904 -4.405 1.00 0.00 H new ATOM 0 HA VAL A 55 2.481 3.894 -5.975 1.00 0.00 H new ATOM 0 HB VAL A 55 1.625 3.367 -3.705 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.070 3.691 -1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.713 2.419 -2.778 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.454 4.037 -2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.826 5.614 -2.659 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.191 5.989 -3.739 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.564 5.738 -4.415 1.00 0.00 H new ATOM 856 N THR A 56 4.248 5.556 -6.182 1.00 0.00 N ATOM 857 CA THR A 56 5.393 6.460 -6.481 1.00 0.00 C ATOM 858 C THR A 56 4.921 7.923 -6.479 1.00 0.00 C ATOM 859 O THR A 56 3.784 8.209 -6.155 1.00 0.00 O ATOM 860 CB THR A 56 5.905 6.004 -7.865 1.00 0.00 C ATOM 861 OG1 THR A 56 7.245 6.441 -8.037 1.00 0.00 O ATOM 862 CG2 THR A 56 5.048 6.563 -9.006 1.00 0.00 C ATOM 0 H THR A 56 3.362 5.827 -6.610 1.00 0.00 H new ATOM 0 HA THR A 56 6.189 6.407 -5.739 1.00 0.00 H new ATOM 0 HB THR A 56 5.845 4.916 -7.899 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.468 6.445 -8.991 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.444 6.217 -9.961 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.021 6.217 -8.892 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.070 7.652 -8.977 1.00 0.00 H new ATOM 870 N GLU A 57 5.783 8.839 -6.839 1.00 0.00 N ATOM 871 CA GLU A 57 5.384 10.279 -6.860 1.00 0.00 C ATOM 872 C GLU A 57 5.897 10.952 -8.135 1.00 0.00 C ATOM 873 O GLU A 57 5.112 11.626 -8.784 1.00 0.00 O ATOM 874 CB GLU A 57 6.048 10.892 -5.625 1.00 0.00 C ATOM 875 CG GLU A 57 5.562 12.338 -5.434 1.00 0.00 C ATOM 876 CD GLU A 57 6.764 13.276 -5.292 1.00 0.00 C ATOM 877 OE1 GLU A 57 7.645 13.209 -6.132 1.00 0.00 O ATOM 878 OE2 GLU A 57 6.781 14.047 -4.346 1.00 0.00 O ATOM 879 OXT GLU A 57 7.066 10.785 -8.441 1.00 0.00 O ATOM 0 H GLU A 57 6.746 8.652 -7.119 1.00 0.00 H new ATOM 0 HA GLU A 57 4.302 10.408 -6.847 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.810 10.299 -4.742 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.132 10.875 -5.738 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.951 12.641 -6.284 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.931 12.405 -4.548 1.00 0.00 H new