USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=13 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 9 ASN :FLIP amide:sc= 0.153 F(o=-2.1,f=-0.19) USER MOD Set 1.2: A 56 THR OG1 : rot -80:sc= -0.339 USER MOD Set 2.1: A 50 THR OG1 : rot -112:sc= 0.967 USER MOD Set 2.2: A 52 THR OG1 : rot 93:sc= 0.237 USER MOD Set 3.1: A 45 THR OG1 : rot -6:sc= -0.466! USER MOD Set 3.2: A 54 THR OG1 : rot 152:sc= 0.675 USER MOD Set 4.1: A 29 LYS NZ :NH3+ 142:sc= 0.0817 (180deg=0) USER MOD Set 4.2: A 33 GLN : amide:sc= 0.0828 K(o=0.16,f=-1.3!) USER MOD Single : A 2 THR OG1 : rot 36:sc= 0.266 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 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 104:sc= 0.255 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 130:sc= -0.0206 USER MOD Single : A 36 ASN : amide:sc= -0.434 X(o=-0.43,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.0731 K(o=-0.073,f=-1.3!) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.212 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -2.654 -11.957 6.432 1.00 0.00 N ATOM 21 CA THR A 2 -2.811 -11.091 5.226 1.00 0.00 C ATOM 22 C THR A 2 -1.805 -9.939 5.272 1.00 0.00 C ATOM 23 O THR A 2 -2.156 -8.789 5.080 1.00 0.00 O ATOM 24 CB THR A 2 -4.242 -10.559 5.301 1.00 0.00 C ATOM 25 OG1 THR A 2 -5.149 -11.652 5.361 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.538 -9.715 4.060 1.00 0.00 C ATOM 0 HA THR A 2 -2.630 -11.635 4.299 1.00 0.00 H new ATOM 0 HB THR A 2 -4.356 -9.943 6.193 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.754 -12.376 5.890 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.558 -9.335 4.113 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.841 -8.878 4.015 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.425 -10.329 3.167 1.00 0.00 H new ATOM 34 N THR A 3 -0.558 -10.241 5.526 1.00 0.00 N ATOM 35 CA THR A 3 0.479 -9.167 5.587 1.00 0.00 C ATOM 36 C THR A 3 0.730 -8.594 4.191 1.00 0.00 C ATOM 37 O THR A 3 1.556 -9.090 3.447 1.00 0.00 O ATOM 38 CB THR A 3 1.739 -9.853 6.120 1.00 0.00 C ATOM 39 OG1 THR A 3 1.443 -10.487 7.357 1.00 0.00 O ATOM 40 CG2 THR A 3 2.844 -8.815 6.328 1.00 0.00 C ATOM 0 H THR A 3 -0.212 -11.186 5.694 1.00 0.00 H new ATOM 0 HA THR A 3 0.171 -8.336 6.222 1.00 0.00 H new ATOM 0 HB THR A 3 2.078 -10.598 5.400 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.248 -10.928 7.699 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.739 -9.308 6.708 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.071 -8.330 5.378 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.510 -8.067 7.046 1.00 0.00 H new ATOM 48 N PHE A 4 0.024 -7.551 3.832 1.00 0.00 N ATOM 49 CA PHE A 4 0.217 -6.938 2.485 1.00 0.00 C ATOM 50 C PHE A 4 1.440 -6.019 2.502 1.00 0.00 C ATOM 51 O PHE A 4 1.677 -5.306 3.459 1.00 0.00 O ATOM 52 CB PHE A 4 -1.060 -6.137 2.221 1.00 0.00 C ATOM 53 CG PHE A 4 -2.056 -7.009 1.497 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.796 -7.424 0.186 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.235 -7.409 2.136 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.714 -8.235 -0.487 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.155 -8.220 1.462 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.894 -8.634 0.150 1.00 0.00 C ATOM 0 H PHE A 4 -0.679 -7.098 4.416 1.00 0.00 H new ATOM 0 HA PHE A 4 0.389 -7.684 1.710 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.484 -5.786 3.162 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.832 -5.254 1.625 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.885 -7.117 -0.306 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.435 -7.092 3.149 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.512 -8.554 -1.499 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.066 -8.527 1.954 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.603 -9.261 -0.370 1.00 0.00 H new ATOM 68 N LYS A 5 2.224 -6.041 1.454 1.00 0.00 N ATOM 69 CA LYS A 5 3.444 -5.177 1.405 1.00 0.00 C ATOM 70 C LYS A 5 3.202 -3.971 0.492 1.00 0.00 C ATOM 71 O LYS A 5 2.098 -3.741 0.036 1.00 0.00 O ATOM 72 CB LYS A 5 4.543 -6.073 0.828 1.00 0.00 C ATOM 73 CG LYS A 5 4.734 -7.303 1.722 1.00 0.00 C ATOM 74 CD LYS A 5 5.801 -8.215 1.115 1.00 0.00 C ATOM 75 CE LYS A 5 5.741 -9.588 1.789 1.00 0.00 C ATOM 76 NZ LYS A 5 6.489 -10.496 0.877 1.00 0.00 N ATOM 0 H LYS A 5 2.072 -6.621 0.629 1.00 0.00 H new ATOM 0 HA LYS A 5 3.711 -4.785 2.386 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.278 -6.384 -0.182 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.477 -5.517 0.755 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.032 -6.994 2.724 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.793 -7.843 1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.640 -8.317 0.042 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.789 -7.775 1.248 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.195 -9.562 2.780 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.711 -9.920 1.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.492 -11.458 1.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.030 -10.506 -0.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.468 -10.159 0.778 1.00 0.00 H new ATOM 90 N LEU A 6 4.228 -3.200 0.222 1.00 0.00 N ATOM 91 CA LEU A 6 4.061 -2.009 -0.663 1.00 0.00 C ATOM 92 C LEU A 6 5.427 -1.518 -1.139 1.00 0.00 C ATOM 93 O LEU A 6 6.104 -0.785 -0.442 1.00 0.00 O ATOM 94 CB LEU A 6 3.380 -0.953 0.219 1.00 0.00 C ATOM 95 CG LEU A 6 3.207 0.363 -0.559 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.812 0.416 -1.182 1.00 0.00 C ATOM 97 CD2 LEU A 6 3.383 1.546 0.398 1.00 0.00 C ATOM 0 H LEU A 6 5.173 -3.346 0.577 1.00 0.00 H new ATOM 0 HA LEU A 6 3.475 -2.230 -1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.408 -1.318 0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.976 -0.778 1.114 1.00 0.00 H new ATOM 0 HG LEU A 6 3.956 0.416 -1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.694 1.350 -1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.686 -0.425 -1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.060 0.361 -0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.261 2.480 -0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.634 1.489 1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.379 1.512 0.839 1.00 0.00 H new ATOM 109 N ILE A 7 5.819 -1.883 -2.333 1.00 0.00 N ATOM 110 CA ILE A 7 7.122 -1.406 -2.860 1.00 0.00 C ATOM 111 C ILE A 7 6.921 0.005 -3.383 1.00 0.00 C ATOM 112 O ILE A 7 5.947 0.284 -4.063 1.00 0.00 O ATOM 113 CB ILE A 7 7.492 -2.362 -3.995 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.643 -3.780 -3.439 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.818 -1.917 -4.619 1.00 0.00 C ATOM 116 CD1 ILE A 7 7.866 -4.761 -4.592 1.00 0.00 C ATOM 0 H ILE A 7 5.291 -2.489 -2.961 1.00 0.00 H new ATOM 0 HA ILE A 7 7.911 -1.388 -2.108 1.00 0.00 H new ATOM 0 HB ILE A 7 6.708 -2.350 -4.752 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.482 -3.822 -2.745 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.751 -4.059 -2.878 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.085 -2.596 -5.429 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.714 -0.906 -5.013 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.600 -1.932 -3.860 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.973 -5.771 -4.195 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.013 -4.726 -5.269 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.771 -4.486 -5.134 1.00 0.00 H new ATOM 128 N ILE A 8 7.804 0.904 -3.057 1.00 0.00 N ATOM 129 CA ILE A 8 7.613 2.299 -3.539 1.00 0.00 C ATOM 130 C ILE A 8 8.474 2.553 -4.774 1.00 0.00 C ATOM 131 O ILE A 8 9.687 2.485 -4.721 1.00 0.00 O ATOM 132 CB ILE A 8 8.015 3.247 -2.401 1.00 0.00 C ATOM 133 CG1 ILE A 8 7.586 2.679 -1.035 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.334 4.604 -2.629 1.00 0.00 C ATOM 135 CD1 ILE A 8 6.075 2.454 -0.992 1.00 0.00 C ATOM 0 H ILE A 8 8.635 0.740 -2.489 1.00 0.00 H new ATOM 0 HA ILE A 8 6.573 2.466 -3.819 1.00 0.00 H new ATOM 0 HB ILE A 8 9.099 3.360 -2.397 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.104 1.738 -0.848 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.879 3.367 -0.242 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.610 5.289 -1.827 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.655 5.016 -3.586 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.252 4.472 -2.636 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.794 2.053 -0.018 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.561 3.401 -1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.790 1.747 -1.771 1.00 0.00 H new ATOM 147 N ASN A 9 7.851 2.844 -5.885 1.00 0.00 N ATOM 148 CA ASN A 9 8.622 3.105 -7.136 1.00 0.00 C ATOM 149 C ASN A 9 8.882 4.610 -7.318 1.00 0.00 C ATOM 150 O ASN A 9 9.404 5.028 -8.336 1.00 0.00 O ATOM 151 CB ASN A 9 7.727 2.569 -8.255 1.00 0.00 C ATOM 152 CG ASN A 9 8.386 2.812 -9.617 1.00 0.00 C ATOM 153 OD1 ASN A 9 8.105 3.902 -10.278 1.00 0.00 O flip ATOM 154 ND2 ASN A 9 9.165 2.004 -10.081 1.00 0.00 N flip ATOM 0 H ASN A 9 6.838 2.912 -5.980 1.00 0.00 H new ATOM 0 HA ASN A 9 9.602 2.629 -7.124 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.552 1.503 -8.112 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.754 3.060 -8.220 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.384 1.152 -9.564 1.00 0.00 H new ATOM 0 HD22 ASN A 9 9.600 2.177 -10.987 1.00 0.00 H new ATOM 161 N GLY A 10 8.529 5.424 -6.350 1.00 0.00 N ATOM 162 CA GLY A 10 8.765 6.890 -6.483 1.00 0.00 C ATOM 163 C GLY A 10 10.215 7.204 -6.115 1.00 0.00 C ATOM 164 O GLY A 10 11.045 6.318 -6.019 1.00 0.00 O ATOM 0 H GLY A 10 8.089 5.133 -5.477 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.559 7.212 -7.504 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.085 7.440 -5.832 1.00 0.00 H new ATOM 168 N LYS A 11 10.522 8.456 -5.902 1.00 0.00 N ATOM 169 CA LYS A 11 11.917 8.837 -5.530 1.00 0.00 C ATOM 170 C LYS A 11 11.996 9.132 -4.029 1.00 0.00 C ATOM 171 O LYS A 11 12.822 9.906 -3.583 1.00 0.00 O ATOM 172 CB LYS A 11 12.229 10.094 -6.353 1.00 0.00 C ATOM 173 CG LYS A 11 11.222 11.205 -6.028 1.00 0.00 C ATOM 174 CD LYS A 11 11.782 12.554 -6.486 1.00 0.00 C ATOM 175 CE LYS A 11 10.641 13.433 -7.001 1.00 0.00 C ATOM 176 NZ LYS A 11 11.009 14.818 -6.593 1.00 0.00 N ATOM 0 H LYS A 11 9.865 9.234 -5.970 1.00 0.00 H new ATOM 0 HA LYS A 11 12.632 8.040 -5.735 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.241 10.436 -6.137 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.192 9.859 -7.417 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.272 11.006 -6.525 1.00 0.00 H new ATOM 0 HG3 LYS A 11 11.023 11.227 -4.957 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.291 13.048 -5.658 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.523 12.404 -7.272 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.539 13.354 -8.083 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.686 13.134 -6.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.273 15.481 -6.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.092 14.864 -5.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.919 15.077 -7.025 1.00 0.00 H new ATOM 190 N THR A 12 11.136 8.522 -3.252 1.00 0.00 N ATOM 191 CA THR A 12 11.148 8.767 -1.779 1.00 0.00 C ATOM 192 C THR A 12 10.574 7.562 -1.031 1.00 0.00 C ATOM 193 O THR A 12 10.113 6.613 -1.632 1.00 0.00 O ATOM 194 CB THR A 12 10.258 10.000 -1.576 1.00 0.00 C ATOM 195 OG1 THR A 12 10.490 10.935 -2.621 1.00 0.00 O ATOM 196 CG2 THR A 12 10.579 10.652 -0.231 1.00 0.00 C ATOM 0 H THR A 12 10.426 7.865 -3.575 1.00 0.00 H new ATOM 0 HA THR A 12 12.157 8.922 -1.397 1.00 0.00 H new ATOM 0 HB THR A 12 9.212 9.692 -1.589 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.745 10.906 -3.258 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.945 11.527 -0.090 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.396 9.938 0.572 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.626 10.956 -0.215 1.00 0.00 H new ATOM 204 N LEU A 13 10.610 7.609 0.282 1.00 0.00 N ATOM 205 CA LEU A 13 10.074 6.496 1.143 1.00 0.00 C ATOM 206 C LEU A 13 10.372 5.091 0.571 1.00 0.00 C ATOM 207 O LEU A 13 9.625 4.161 0.797 1.00 0.00 O ATOM 208 CB LEU A 13 8.553 6.770 1.246 1.00 0.00 C ATOM 209 CG LEU A 13 7.809 6.403 -0.050 1.00 0.00 C ATOM 210 CD1 LEU A 13 6.452 5.784 0.304 1.00 0.00 C ATOM 211 CD2 LEU A 13 7.589 7.659 -0.911 1.00 0.00 C ATOM 0 H LEU A 13 10.998 8.392 0.808 1.00 0.00 H new ATOM 0 HA LEU A 13 10.558 6.488 2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.138 6.198 2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.389 7.824 1.471 1.00 0.00 H new ATOM 0 HG LEU A 13 8.407 5.688 -0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.921 5.522 -0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.607 4.886 0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.862 6.502 0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.062 7.386 -1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.996 8.384 -0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.553 8.099 -1.166 1.00 0.00 H new ATOM 223 N LYS A 14 11.445 4.937 -0.170 1.00 0.00 N ATOM 224 CA LYS A 14 11.777 3.599 -0.768 1.00 0.00 C ATOM 225 C LYS A 14 11.717 2.478 0.280 1.00 0.00 C ATOM 226 O LYS A 14 12.449 2.485 1.252 1.00 0.00 O ATOM 227 CB LYS A 14 13.200 3.735 -1.342 1.00 0.00 C ATOM 228 CG LYS A 14 14.155 4.343 -0.304 1.00 0.00 C ATOM 229 CD LYS A 14 15.546 3.721 -0.459 1.00 0.00 C ATOM 230 CE LYS A 14 15.707 2.552 0.524 1.00 0.00 C ATOM 231 NZ LYS A 14 16.961 2.846 1.276 1.00 0.00 N ATOM 0 H LYS A 14 12.108 5.681 -0.388 1.00 0.00 H new ATOM 0 HA LYS A 14 11.055 3.328 -1.538 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.567 2.756 -1.650 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.178 4.362 -2.233 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.212 5.423 -0.436 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.776 4.165 0.702 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.685 3.370 -1.481 1.00 0.00 H new ATOM 0 HD3 LYS A 14 16.313 4.473 -0.273 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.852 2.482 1.196 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.777 1.601 -0.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.137 2.089 1.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.759 2.900 0.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.863 3.754 1.774 1.00 0.00 H new ATOM 245 N GLY A 15 10.846 1.513 0.086 1.00 0.00 N ATOM 246 CA GLY A 15 10.740 0.394 1.070 1.00 0.00 C ATOM 247 C GLY A 15 9.521 -0.479 0.758 1.00 0.00 C ATOM 248 O GLY A 15 8.849 -0.298 -0.242 1.00 0.00 O ATOM 0 H GLY A 15 10.209 1.455 -0.708 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.646 -0.212 1.040 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.658 0.796 2.080 1.00 0.00 H new ATOM 252 N GLU A 16 9.242 -1.431 1.616 1.00 0.00 N ATOM 253 CA GLU A 16 8.075 -2.342 1.401 1.00 0.00 C ATOM 254 C GLU A 16 7.067 -2.205 2.548 1.00 0.00 C ATOM 255 O GLU A 16 5.878 -2.344 2.346 1.00 0.00 O ATOM 256 CB GLU A 16 8.676 -3.749 1.387 1.00 0.00 C ATOM 257 CG GLU A 16 8.933 -4.181 -0.058 1.00 0.00 C ATOM 258 CD GLU A 16 9.334 -5.656 -0.087 1.00 0.00 C ATOM 259 OE1 GLU A 16 10.219 -6.024 0.668 1.00 0.00 O ATOM 260 OE2 GLU A 16 8.750 -6.394 -0.863 1.00 0.00 O ATOM 0 H GLU A 16 9.778 -1.617 2.463 1.00 0.00 H new ATOM 0 HA GLU A 16 7.538 -2.111 0.481 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.607 -3.764 1.953 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.997 -4.451 1.872 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.038 -4.025 -0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.722 -3.570 -0.496 1.00 0.00 H new ATOM 267 N ILE A 17 7.546 -1.936 3.751 1.00 0.00 N ATOM 268 CA ILE A 17 6.655 -1.785 4.966 1.00 0.00 C ATOM 269 C ILE A 17 5.471 -2.767 4.947 1.00 0.00 C ATOM 270 O ILE A 17 4.379 -2.439 4.525 1.00 0.00 O ATOM 271 CB ILE A 17 6.172 -0.322 4.987 1.00 0.00 C ATOM 272 CG1 ILE A 17 5.567 0.090 3.639 1.00 0.00 C ATOM 273 CG2 ILE A 17 7.357 0.593 5.300 1.00 0.00 C ATOM 274 CD1 ILE A 17 4.888 1.454 3.785 1.00 0.00 C ATOM 0 H ILE A 17 8.539 -1.812 3.947 1.00 0.00 H new ATOM 0 HA ILE A 17 7.214 -2.024 5.871 1.00 0.00 H new ATOM 0 HB ILE A 17 5.401 -0.230 5.752 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.345 0.138 2.878 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.844 -0.656 3.309 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.022 1.630 5.316 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.772 0.331 6.273 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.123 0.471 4.534 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.457 1.750 2.829 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.099 1.389 4.534 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.624 2.195 4.096 1.00 0.00 H new ATOM 286 N THR A 18 5.695 -3.974 5.399 1.00 0.00 N ATOM 287 CA THR A 18 4.604 -4.999 5.410 1.00 0.00 C ATOM 288 C THR A 18 3.550 -4.651 6.465 1.00 0.00 C ATOM 289 O THR A 18 3.872 -4.208 7.552 1.00 0.00 O ATOM 290 CB THR A 18 5.296 -6.323 5.765 1.00 0.00 C ATOM 291 OG1 THR A 18 5.844 -6.228 7.072 1.00 0.00 O ATOM 292 CG2 THR A 18 6.416 -6.621 4.762 1.00 0.00 C ATOM 0 H THR A 18 6.591 -4.297 5.763 1.00 0.00 H new ATOM 0 HA THR A 18 4.088 -5.051 4.451 1.00 0.00 H new ATOM 0 HB THR A 18 4.564 -7.130 5.727 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.285 -7.072 7.304 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.899 -7.562 5.025 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.996 -6.696 3.759 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.151 -5.817 4.788 1.00 0.00 H new ATOM 300 N ILE A 19 2.291 -4.859 6.157 1.00 0.00 N ATOM 301 CA ILE A 19 1.211 -4.550 7.146 1.00 0.00 C ATOM 302 C ILE A 19 0.032 -5.515 6.970 1.00 0.00 C ATOM 303 O ILE A 19 -0.414 -5.772 5.867 1.00 0.00 O ATOM 304 CB ILE A 19 0.781 -3.107 6.857 1.00 0.00 C ATOM 305 CG1 ILE A 19 0.274 -2.983 5.415 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.977 -2.171 7.052 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.247 -3.157 5.388 1.00 0.00 C ATOM 0 H ILE A 19 1.966 -5.229 5.264 1.00 0.00 H new ATOM 0 HA ILE A 19 1.560 -4.662 8.173 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.021 -2.834 7.542 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.546 -2.010 5.006 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.748 -3.737 4.786 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.673 -1.145 6.847 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.334 -2.245 8.079 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.777 -2.456 6.369 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.605 -3.068 4.362 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.508 -4.140 5.780 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.712 -2.386 6.003 1.00 0.00 H new ATOM 319 N GLU A 20 -0.473 -6.048 8.055 1.00 0.00 N ATOM 320 CA GLU A 20 -1.625 -6.999 7.969 1.00 0.00 C ATOM 321 C GLU A 20 -2.925 -6.236 7.695 1.00 0.00 C ATOM 322 O GLU A 20 -3.040 -5.063 7.996 1.00 0.00 O ATOM 323 CB GLU A 20 -1.679 -7.691 9.337 1.00 0.00 C ATOM 324 CG GLU A 20 -1.885 -6.651 10.451 1.00 0.00 C ATOM 325 CD GLU A 20 -0.891 -6.904 11.587 1.00 0.00 C ATOM 326 OE1 GLU A 20 -0.660 -8.061 11.899 1.00 0.00 O ATOM 327 OE2 GLU A 20 -0.378 -5.937 12.126 1.00 0.00 O ATOM 0 H GLU A 20 -0.136 -5.865 9.000 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.505 -7.717 7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.491 -8.418 9.353 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.755 -8.242 9.511 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.748 -5.646 10.053 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.906 -6.707 10.829 1.00 0.00 H new ATOM 334 N ALA A 21 -3.904 -6.898 7.127 1.00 0.00 N ATOM 335 CA ALA A 21 -5.202 -6.219 6.830 1.00 0.00 C ATOM 336 C ALA A 21 -6.255 -7.249 6.411 1.00 0.00 C ATOM 337 O ALA A 21 -5.934 -8.340 5.981 1.00 0.00 O ATOM 338 CB ALA A 21 -4.899 -5.266 5.673 1.00 0.00 C ATOM 0 H ALA A 21 -3.859 -7.880 6.856 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.598 -5.693 7.699 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.806 -4.729 5.397 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.134 -4.552 5.980 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.540 -5.836 4.816 1.00 0.00 H new ATOM 344 N VAL A 22 -7.512 -6.904 6.534 1.00 0.00 N ATOM 345 CA VAL A 22 -8.607 -7.850 6.146 1.00 0.00 C ATOM 346 C VAL A 22 -8.412 -8.338 4.701 1.00 0.00 C ATOM 347 O VAL A 22 -8.621 -9.496 4.394 1.00 0.00 O ATOM 348 CB VAL A 22 -9.905 -7.037 6.283 1.00 0.00 C ATOM 349 CG1 VAL A 22 -9.858 -5.813 5.365 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.103 -7.912 5.899 1.00 0.00 C ATOM 0 H VAL A 22 -7.830 -6.002 6.889 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.621 -8.742 6.772 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.007 -6.707 7.317 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.782 -5.244 5.470 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.011 -5.184 5.640 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.747 -6.138 4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.022 -7.334 5.997 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.993 -8.247 4.868 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.147 -8.778 6.559 1.00 0.00 H new ATOM 360 N ASP A 23 -8.006 -7.460 3.819 1.00 0.00 N ATOM 361 CA ASP A 23 -7.783 -7.857 2.395 1.00 0.00 C ATOM 362 C ASP A 23 -6.880 -6.831 1.709 1.00 0.00 C ATOM 363 O ASP A 23 -6.494 -5.843 2.307 1.00 0.00 O ATOM 364 CB ASP A 23 -9.175 -7.881 1.746 1.00 0.00 C ATOM 365 CG ASP A 23 -9.871 -6.525 1.916 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.258 -5.516 1.604 1.00 0.00 O ATOM 367 OD2 ASP A 23 -11.011 -6.520 2.351 1.00 0.00 O ATOM 0 H ASP A 23 -7.818 -6.479 4.025 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.293 -8.827 2.309 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.084 -8.119 0.686 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.780 -8.666 2.199 1.00 0.00 H new ATOM 372 N ALA A 24 -6.539 -7.052 0.463 1.00 0.00 N ATOM 373 CA ALA A 24 -5.658 -6.078 -0.249 1.00 0.00 C ATOM 374 C ALA A 24 -6.360 -4.724 -0.351 1.00 0.00 C ATOM 375 O ALA A 24 -5.733 -3.684 -0.283 1.00 0.00 O ATOM 376 CB ALA A 24 -5.419 -6.664 -1.639 1.00 0.00 C ATOM 0 H ALA A 24 -6.831 -7.859 -0.088 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.717 -5.920 0.278 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.778 -5.993 -2.211 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.936 -7.636 -1.546 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.373 -6.781 -2.154 1.00 0.00 H new ATOM 382 N ALA A 25 -7.665 -4.730 -0.505 1.00 0.00 N ATOM 383 CA ALA A 25 -8.423 -3.445 -0.600 1.00 0.00 C ATOM 384 C ALA A 25 -8.119 -2.573 0.621 1.00 0.00 C ATOM 385 O ALA A 25 -7.862 -1.389 0.507 1.00 0.00 O ATOM 386 CB ALA A 25 -9.901 -3.843 -0.619 1.00 0.00 C ATOM 0 H ALA A 25 -8.236 -5.573 -0.569 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.152 -2.871 -1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.518 -2.947 -0.688 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.094 -4.484 -1.479 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.144 -4.382 0.297 1.00 0.00 H new ATOM 392 N GLU A 26 -8.126 -3.168 1.788 1.00 0.00 N ATOM 393 CA GLU A 26 -7.814 -2.395 3.024 1.00 0.00 C ATOM 394 C GLU A 26 -6.336 -2.016 3.014 1.00 0.00 C ATOM 395 O GLU A 26 -5.974 -0.892 3.295 1.00 0.00 O ATOM 396 CB GLU A 26 -8.127 -3.341 4.185 1.00 0.00 C ATOM 397 CG GLU A 26 -8.808 -2.562 5.313 1.00 0.00 C ATOM 398 CD GLU A 26 -8.390 -3.149 6.662 1.00 0.00 C ATOM 399 OE1 GLU A 26 -7.209 -3.402 6.835 1.00 0.00 O ATOM 400 OE2 GLU A 26 -9.258 -3.336 7.498 1.00 0.00 O ATOM 0 H GLU A 26 -8.335 -4.155 1.936 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.390 -1.473 3.104 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.775 -4.149 3.845 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.209 -3.801 4.550 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.531 -1.509 5.261 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.891 -2.613 5.202 1.00 0.00 H new ATOM 407 N ALA A 27 -5.476 -2.945 2.668 1.00 0.00 N ATOM 408 CA ALA A 27 -4.010 -2.631 2.613 1.00 0.00 C ATOM 409 C ALA A 27 -3.775 -1.441 1.682 1.00 0.00 C ATOM 410 O ALA A 27 -2.971 -0.569 1.960 1.00 0.00 O ATOM 411 CB ALA A 27 -3.340 -3.880 2.037 1.00 0.00 C ATOM 0 H ALA A 27 -5.723 -3.904 2.422 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.611 -2.375 3.595 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.264 -3.718 1.970 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.538 -4.732 2.687 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.739 -4.082 1.043 1.00 0.00 H new ATOM 417 N GLU A 28 -4.486 -1.401 0.583 1.00 0.00 N ATOM 418 CA GLU A 28 -4.324 -0.269 -0.375 1.00 0.00 C ATOM 419 C GLU A 28 -4.692 1.051 0.306 1.00 0.00 C ATOM 420 O GLU A 28 -4.029 2.047 0.107 1.00 0.00 O ATOM 421 CB GLU A 28 -5.273 -0.569 -1.538 1.00 0.00 C ATOM 422 CG GLU A 28 -4.729 0.069 -2.821 1.00 0.00 C ATOM 423 CD GLU A 28 -5.713 -0.175 -3.967 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.906 -0.156 -3.711 1.00 0.00 O ATOM 425 OE2 GLU A 28 -5.257 -0.377 -5.080 1.00 0.00 O ATOM 0 H GLU A 28 -5.172 -2.105 0.309 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.296 -0.171 -0.723 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.374 -1.646 -1.670 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.267 -0.180 -1.319 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.583 1.139 -2.674 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.755 -0.355 -3.067 1.00 0.00 H new ATOM 432 N LYS A 29 -5.732 1.071 1.116 1.00 0.00 N ATOM 433 CA LYS A 29 -6.104 2.346 1.802 1.00 0.00 C ATOM 434 C LYS A 29 -5.105 2.628 2.939 1.00 0.00 C ATOM 435 O LYS A 29 -4.745 3.767 3.192 1.00 0.00 O ATOM 436 CB LYS A 29 -7.574 2.164 2.266 1.00 0.00 C ATOM 437 CG LYS A 29 -7.697 1.452 3.630 1.00 0.00 C ATOM 438 CD LYS A 29 -8.199 2.439 4.690 1.00 0.00 C ATOM 439 CE LYS A 29 -7.191 3.583 4.851 1.00 0.00 C ATOM 440 NZ LYS A 29 -7.889 4.594 5.693 1.00 0.00 N ATOM 0 H LYS A 29 -6.328 0.270 1.326 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.049 3.223 1.157 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.052 3.142 2.329 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.117 1.592 1.514 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.385 0.610 3.550 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.730 1.047 3.927 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.171 2.837 4.399 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.336 1.926 5.642 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.274 3.237 5.328 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.910 4.001 3.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.210 5.023 6.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.294 5.333 5.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.651 4.132 6.230 1.00 0.00 H new ATOM 454 N ILE A 30 -4.616 1.597 3.592 1.00 0.00 N ATOM 455 CA ILE A 30 -3.609 1.808 4.672 1.00 0.00 C ATOM 456 C ILE A 30 -2.331 2.307 4.014 1.00 0.00 C ATOM 457 O ILE A 30 -1.653 3.185 4.514 1.00 0.00 O ATOM 458 CB ILE A 30 -3.386 0.435 5.311 1.00 0.00 C ATOM 459 CG1 ILE A 30 -4.705 -0.088 5.886 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.357 0.555 6.439 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.630 -1.610 6.039 1.00 0.00 C ATOM 0 H ILE A 30 -4.872 0.625 3.421 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.925 2.531 5.424 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.020 -0.257 4.553 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.901 0.376 6.853 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.532 0.181 5.229 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.199 -0.423 6.893 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.414 0.923 6.034 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.724 1.250 7.194 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.569 -1.981 6.448 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.454 -2.065 5.065 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.813 -1.868 6.713 1.00 0.00 H new ATOM 473 N PHE A 31 -2.026 1.760 2.868 1.00 0.00 N ATOM 474 CA PHE A 31 -0.819 2.196 2.121 1.00 0.00 C ATOM 475 C PHE A 31 -1.106 3.552 1.477 1.00 0.00 C ATOM 476 O PHE A 31 -0.252 4.416 1.416 1.00 0.00 O ATOM 477 CB PHE A 31 -0.598 1.116 1.056 1.00 0.00 C ATOM 478 CG PHE A 31 0.128 -0.066 1.659 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.295 0.130 2.410 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.364 -1.362 1.460 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.970 -0.967 2.957 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.310 -2.458 2.009 1.00 0.00 C ATOM 483 CZ PHE A 31 1.477 -2.261 2.757 1.00 0.00 C ATOM 0 H PHE A 31 -2.568 1.024 2.416 1.00 0.00 H new ATOM 0 HA PHE A 31 0.062 2.310 2.752 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.556 0.795 0.648 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.019 1.524 0.227 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.674 1.129 2.567 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.264 -1.515 0.883 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.871 -0.815 3.533 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.070 -3.457 1.856 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.997 -3.108 3.180 1.00 0.00 H new ATOM 493 N LYS A 32 -2.319 3.748 1.009 1.00 0.00 N ATOM 494 CA LYS A 32 -2.689 5.049 0.381 1.00 0.00 C ATOM 495 C LYS A 32 -2.964 6.117 1.451 1.00 0.00 C ATOM 496 O LYS A 32 -3.276 7.248 1.131 1.00 0.00 O ATOM 497 CB LYS A 32 -3.953 4.777 -0.431 1.00 0.00 C ATOM 498 CG LYS A 32 -3.581 4.055 -1.728 1.00 0.00 C ATOM 499 CD LYS A 32 -4.856 3.622 -2.457 1.00 0.00 C ATOM 500 CE LYS A 32 -5.621 4.862 -2.927 1.00 0.00 C ATOM 501 NZ LYS A 32 -6.792 4.328 -3.677 1.00 0.00 N ATOM 0 H LYS A 32 -3.068 3.056 1.038 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.880 5.428 -0.243 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.647 4.170 0.150 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.462 5.714 -0.657 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.990 4.713 -2.366 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.962 3.185 -1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.604 2.992 -3.310 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.482 3.025 -1.794 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.938 5.474 -2.083 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.999 5.493 -3.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.367 5.119 -4.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.459 3.755 -4.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.369 3.737 -3.045 1.00 0.00 H new ATOM 515 N GLN A 33 -2.804 5.787 2.712 1.00 0.00 N ATOM 516 CA GLN A 33 -3.001 6.802 3.790 1.00 0.00 C ATOM 517 C GLN A 33 -1.600 7.174 4.239 1.00 0.00 C ATOM 518 O GLN A 33 -1.234 8.322 4.362 1.00 0.00 O ATOM 519 CB GLN A 33 -3.771 6.080 4.897 1.00 0.00 C ATOM 520 CG GLN A 33 -4.146 7.075 5.999 1.00 0.00 C ATOM 521 CD GLN A 33 -4.933 6.361 7.104 1.00 0.00 C ATOM 522 OE1 GLN A 33 -5.090 5.155 7.080 1.00 0.00 O ATOM 523 NE2 GLN A 33 -5.438 7.062 8.082 1.00 0.00 N ATOM 0 H GLN A 33 -2.545 4.856 3.039 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.547 7.698 3.495 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.670 5.620 4.487 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.163 5.276 5.311 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.245 7.525 6.416 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.743 7.885 5.581 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.308 8.073 8.105 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -5.963 6.598 8.824 1.00 0.00 H new ATOM 532 N TYR A 34 -0.804 6.159 4.406 1.00 0.00 N ATOM 533 CA TYR A 34 0.630 6.312 4.763 1.00 0.00 C ATOM 534 C TYR A 34 1.300 7.299 3.778 1.00 0.00 C ATOM 535 O TYR A 34 2.111 8.122 4.156 1.00 0.00 O ATOM 536 CB TYR A 34 1.132 4.865 4.572 1.00 0.00 C ATOM 537 CG TYR A 34 2.622 4.810 4.286 1.00 0.00 C ATOM 538 CD1 TYR A 34 3.540 5.103 5.303 1.00 0.00 C ATOM 539 CD2 TYR A 34 3.080 4.469 3.008 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.914 5.056 5.040 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.454 4.421 2.745 1.00 0.00 C ATOM 542 CZ TYR A 34 5.371 4.714 3.761 1.00 0.00 C ATOM 543 OH TYR A 34 6.727 4.667 3.502 1.00 0.00 O ATOM 0 H TYR A 34 -1.103 5.189 4.305 1.00 0.00 H new ATOM 0 HA TYR A 34 0.835 6.711 5.756 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.914 4.285 5.469 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.588 4.399 3.750 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.188 5.365 6.290 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.372 4.243 2.224 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.622 5.283 5.823 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.806 4.158 1.759 1.00 0.00 H new ATOM 0 HH TYR A 34 6.948 3.817 3.066 1.00 0.00 H new ATOM 553 N ALA A 35 0.941 7.208 2.522 1.00 0.00 N ATOM 554 CA ALA A 35 1.518 8.123 1.490 1.00 0.00 C ATOM 555 C ALA A 35 0.922 9.528 1.657 1.00 0.00 C ATOM 556 O ALA A 35 1.624 10.520 1.668 1.00 0.00 O ATOM 557 CB ALA A 35 1.075 7.539 0.140 1.00 0.00 C ATOM 0 H ALA A 35 0.266 6.532 2.164 1.00 0.00 H new ATOM 0 HA ALA A 35 2.602 8.202 1.571 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.462 8.159 -0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.462 6.525 0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.014 7.518 0.092 1.00 0.00 H new ATOM 563 N ASN A 36 -0.381 9.604 1.765 1.00 0.00 N ATOM 564 CA ASN A 36 -1.065 10.929 1.906 1.00 0.00 C ATOM 565 C ASN A 36 -0.724 11.591 3.243 1.00 0.00 C ATOM 566 O ASN A 36 -0.420 12.767 3.297 1.00 0.00 O ATOM 567 CB ASN A 36 -2.557 10.613 1.847 1.00 0.00 C ATOM 568 CG ASN A 36 -3.001 10.501 0.386 1.00 0.00 C ATOM 569 OD1 ASN A 36 -3.769 11.312 -0.091 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.547 9.522 -0.350 1.00 0.00 N ATOM 0 H ASN A 36 -1.007 8.798 1.762 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.751 11.623 1.126 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.763 9.680 2.373 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.125 11.395 2.351 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.838 9.439 -1.324 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.902 8.840 0.050 1.00 0.00 H new ATOM 577 N ASP A 37 -0.787 10.849 4.323 1.00 0.00 N ATOM 578 CA ASP A 37 -0.479 11.430 5.675 1.00 0.00 C ATOM 579 C ASP A 37 0.836 12.212 5.650 1.00 0.00 C ATOM 580 O ASP A 37 1.034 13.144 6.407 1.00 0.00 O ATOM 581 CB ASP A 37 -0.368 10.229 6.617 1.00 0.00 C ATOM 582 CG ASP A 37 -1.684 10.044 7.379 1.00 0.00 C ATOM 583 OD1 ASP A 37 -2.322 11.042 7.673 1.00 0.00 O ATOM 584 OD2 ASP A 37 -2.028 8.908 7.659 1.00 0.00 O ATOM 0 H ASP A 37 -1.039 9.861 4.329 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.251 12.131 5.994 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.137 9.329 6.048 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.451 10.381 7.320 1.00 0.00 H new ATOM 589 N ASN A 38 1.723 11.837 4.775 1.00 0.00 N ATOM 590 CA ASN A 38 3.022 12.544 4.668 1.00 0.00 C ATOM 591 C ASN A 38 2.993 13.518 3.485 1.00 0.00 C ATOM 592 O ASN A 38 3.379 14.665 3.599 1.00 0.00 O ATOM 593 CB ASN A 38 4.058 11.444 4.436 1.00 0.00 C ATOM 594 CG ASN A 38 5.458 11.993 4.719 1.00 0.00 C ATOM 595 OD1 ASN A 38 5.643 12.780 5.627 1.00 0.00 O ATOM 596 ND2 ASN A 38 6.460 11.609 3.976 1.00 0.00 N ATOM 0 H ASN A 38 1.600 11.062 4.123 1.00 0.00 H new ATOM 0 HA ASN A 38 3.249 13.130 5.558 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.852 10.593 5.085 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.998 11.084 3.409 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.397 11.969 4.157 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.306 10.949 3.214 1.00 0.00 H new ATOM 603 N GLY A 39 2.542 13.055 2.350 1.00 0.00 N ATOM 604 CA GLY A 39 2.484 13.921 1.137 1.00 0.00 C ATOM 605 C GLY A 39 3.132 13.154 -0.007 1.00 0.00 C ATOM 606 O GLY A 39 4.149 13.553 -0.543 1.00 0.00 O ATOM 0 H GLY A 39 2.207 12.102 2.210 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.451 14.171 0.894 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.007 14.861 1.312 1.00 0.00 H new ATOM 610 N ILE A 40 2.572 12.024 -0.344 1.00 0.00 N ATOM 611 CA ILE A 40 3.160 11.170 -1.407 1.00 0.00 C ATOM 612 C ILE A 40 2.168 11.060 -2.565 1.00 0.00 C ATOM 613 O ILE A 40 0.972 10.990 -2.345 1.00 0.00 O ATOM 614 CB ILE A 40 3.323 9.843 -0.679 1.00 0.00 C ATOM 615 CG1 ILE A 40 4.234 10.059 0.579 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.857 8.766 -1.635 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.580 9.358 0.459 1.00 0.00 C ATOM 0 H ILE A 40 1.721 11.654 0.080 1.00 0.00 H new ATOM 0 HA ILE A 40 4.091 11.536 -1.840 1.00 0.00 H new ATOM 0 HB ILE A 40 2.357 9.481 -0.328 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.397 11.127 0.725 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.716 9.692 1.465 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.967 7.824 -1.097 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.158 8.633 -2.460 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.826 9.075 -2.027 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.168 9.543 1.358 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.423 8.286 0.342 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.115 9.743 -0.409 1.00 0.00 H new ATOM 629 N ASP A 41 2.635 11.061 -3.790 1.00 0.00 N ATOM 630 CA ASP A 41 1.673 10.973 -4.938 1.00 0.00 C ATOM 631 C ASP A 41 2.366 10.659 -6.269 1.00 0.00 C ATOM 632 O ASP A 41 3.261 11.354 -6.708 1.00 0.00 O ATOM 633 CB ASP A 41 1.003 12.351 -4.998 1.00 0.00 C ATOM 634 CG ASP A 41 2.061 13.437 -5.219 1.00 0.00 C ATOM 635 OD1 ASP A 41 2.881 13.626 -4.335 1.00 0.00 O ATOM 636 OD2 ASP A 41 2.032 14.060 -6.266 1.00 0.00 O ATOM 0 H ASP A 41 3.621 11.118 -4.044 1.00 0.00 H new ATOM 0 HA ASP A 41 0.964 10.160 -4.784 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.271 12.374 -5.806 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.461 12.542 -4.072 1.00 0.00 H new ATOM 641 N GLY A 42 1.917 9.621 -6.918 1.00 0.00 N ATOM 642 CA GLY A 42 2.477 9.220 -8.241 1.00 0.00 C ATOM 643 C GLY A 42 1.518 8.201 -8.866 1.00 0.00 C ATOM 644 O GLY A 42 0.469 8.555 -9.371 1.00 0.00 O ATOM 0 H GLY A 42 1.167 9.019 -6.579 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.586 10.090 -8.889 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.470 8.786 -8.120 1.00 0.00 H new ATOM 648 N GLU A 43 1.858 6.937 -8.811 1.00 0.00 N ATOM 649 CA GLU A 43 0.953 5.884 -9.376 1.00 0.00 C ATOM 650 C GLU A 43 0.705 4.797 -8.319 1.00 0.00 C ATOM 651 O GLU A 43 1.299 4.816 -7.265 1.00 0.00 O ATOM 652 CB GLU A 43 1.703 5.307 -10.578 1.00 0.00 C ATOM 653 CG GLU A 43 0.700 4.904 -11.661 1.00 0.00 C ATOM 654 CD GLU A 43 1.443 4.628 -12.968 1.00 0.00 C ATOM 655 OE1 GLU A 43 2.214 5.479 -13.380 1.00 0.00 O ATOM 656 OE2 GLU A 43 1.229 3.569 -13.536 1.00 0.00 O ATOM 0 H GLU A 43 2.723 6.587 -8.399 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.019 6.282 -9.667 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.402 6.044 -10.972 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.291 4.442 -10.272 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.149 4.017 -11.349 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.032 5.698 -11.807 1.00 0.00 H new ATOM 663 N TRP A 44 -0.170 3.857 -8.594 1.00 0.00 N ATOM 664 CA TRP A 44 -0.464 2.766 -7.603 1.00 0.00 C ATOM 665 C TRP A 44 -0.874 1.492 -8.333 1.00 0.00 C ATOM 666 O TRP A 44 -1.723 1.514 -9.204 1.00 0.00 O ATOM 667 CB TRP A 44 -1.640 3.277 -6.771 1.00 0.00 C ATOM 668 CG TRP A 44 -1.135 4.123 -5.657 1.00 0.00 C ATOM 669 CD1 TRP A 44 -0.876 5.448 -5.733 1.00 0.00 C ATOM 670 CD2 TRP A 44 -0.829 3.719 -4.300 1.00 0.00 C ATOM 671 NE1 TRP A 44 -0.422 5.881 -4.502 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.375 4.851 -3.585 1.00 0.00 C ATOM 673 CE3 TRP A 44 -0.899 2.486 -3.629 1.00 0.00 C ATOM 674 CZ2 TRP A 44 0.000 4.767 -2.249 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.520 2.398 -2.280 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.071 3.539 -1.593 1.00 0.00 C ATOM 0 H TRP A 44 -0.696 3.797 -9.466 1.00 0.00 H new ATOM 0 HA TRP A 44 0.407 2.534 -6.989 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.319 3.853 -7.399 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.209 2.437 -6.373 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.003 6.065 -6.610 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.154 6.844 -4.296 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.244 1.606 -4.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.344 5.646 -1.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.574 1.449 -1.768 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.219 3.464 -0.555 1.00 0.00 H new ATOM 687 N THR A 45 -0.286 0.382 -7.977 1.00 0.00 N ATOM 688 CA THR A 45 -0.651 -0.903 -8.646 1.00 0.00 C ATOM 689 C THR A 45 -0.609 -2.035 -7.633 1.00 0.00 C ATOM 690 O THR A 45 0.351 -2.187 -6.905 1.00 0.00 O ATOM 691 CB THR A 45 0.392 -1.147 -9.747 1.00 0.00 C ATOM 692 OG1 THR A 45 1.599 -1.619 -9.167 1.00 0.00 O ATOM 693 CG2 THR A 45 0.670 0.144 -10.516 1.00 0.00 C ATOM 0 H THR A 45 0.430 0.308 -7.254 1.00 0.00 H new ATOM 0 HA THR A 45 -1.656 -0.857 -9.066 1.00 0.00 H new ATOM 0 HB THR A 45 -0.000 -1.893 -10.438 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.527 -1.587 -8.190 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.411 -0.047 -11.292 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.252 0.500 -10.975 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.050 0.901 -9.830 1.00 0.00 H new ATOM 701 N TYR A 46 -1.635 -2.835 -7.596 1.00 0.00 N ATOM 702 CA TYR A 46 -1.655 -3.976 -6.638 1.00 0.00 C ATOM 703 C TYR A 46 -1.150 -5.241 -7.348 1.00 0.00 C ATOM 704 O TYR A 46 -1.557 -5.547 -8.453 1.00 0.00 O ATOM 705 CB TYR A 46 -3.120 -4.125 -6.194 1.00 0.00 C ATOM 706 CG TYR A 46 -3.285 -5.422 -5.427 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.507 -5.660 -4.290 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.190 -6.393 -5.874 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.635 -6.867 -3.594 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.314 -7.604 -5.180 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.538 -7.839 -4.039 1.00 0.00 C ATOM 712 OH TYR A 46 -3.663 -9.032 -3.356 1.00 0.00 O ATOM 0 H TYR A 46 -2.462 -2.750 -8.187 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.010 -3.813 -5.775 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.409 -3.281 -5.568 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.777 -4.118 -7.063 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.807 -4.912 -3.949 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.791 -6.209 -6.752 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.037 -7.049 -2.713 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.008 -8.356 -5.525 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.334 -9.593 -3.798 1.00 0.00 H new ATOM 722 N ASP A 47 -0.278 -5.974 -6.709 1.00 0.00 N ATOM 723 CA ASP A 47 0.249 -7.223 -7.328 1.00 0.00 C ATOM 724 C ASP A 47 -0.410 -8.439 -6.673 1.00 0.00 C ATOM 725 O ASP A 47 -0.013 -8.874 -5.609 1.00 0.00 O ATOM 726 CB ASP A 47 1.752 -7.203 -7.054 1.00 0.00 C ATOM 727 CG ASP A 47 2.490 -7.891 -8.205 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.229 -7.539 -9.344 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.303 -8.756 -7.928 1.00 0.00 O ATOM 0 H ASP A 47 0.092 -5.760 -5.783 1.00 0.00 H new ATOM 0 HA ASP A 47 0.041 -7.282 -8.396 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.099 -6.175 -6.948 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.968 -7.711 -6.114 1.00 0.00 H new ATOM 734 N ASP A 48 -1.416 -8.988 -7.308 1.00 0.00 N ATOM 735 CA ASP A 48 -2.118 -10.180 -6.735 1.00 0.00 C ATOM 736 C ASP A 48 -1.227 -11.434 -6.783 1.00 0.00 C ATOM 737 O ASP A 48 -1.591 -12.475 -6.268 1.00 0.00 O ATOM 738 CB ASP A 48 -3.358 -10.375 -7.611 1.00 0.00 C ATOM 739 CG ASP A 48 -4.212 -11.511 -7.045 1.00 0.00 C ATOM 740 OD1 ASP A 48 -3.927 -12.655 -7.361 1.00 0.00 O ATOM 741 OD2 ASP A 48 -5.137 -11.219 -6.304 1.00 0.00 O ATOM 0 H ASP A 48 -1.783 -8.661 -8.202 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.371 -10.025 -5.686 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.939 -9.453 -7.647 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.061 -10.605 -8.634 1.00 0.00 H new ATOM 746 N ALA A 49 -0.066 -11.344 -7.387 1.00 0.00 N ATOM 747 CA ALA A 49 0.844 -12.523 -7.458 1.00 0.00 C ATOM 748 C ALA A 49 1.799 -12.510 -6.264 1.00 0.00 C ATOM 749 O ALA A 49 2.249 -13.545 -5.808 1.00 0.00 O ATOM 750 CB ALA A 49 1.616 -12.351 -8.767 1.00 0.00 C ATOM 0 H ALA A 49 0.289 -10.499 -7.835 1.00 0.00 H new ATOM 0 HA ALA A 49 0.305 -13.470 -7.430 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.309 -13.183 -8.892 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.916 -12.333 -9.602 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.173 -11.415 -8.740 1.00 0.00 H new ATOM 756 N THR A 50 2.095 -11.344 -5.745 1.00 0.00 N ATOM 757 CA THR A 50 3.004 -11.253 -4.567 1.00 0.00 C ATOM 758 C THR A 50 2.312 -10.500 -3.425 1.00 0.00 C ATOM 759 O THR A 50 2.923 -10.193 -2.420 1.00 0.00 O ATOM 760 CB THR A 50 4.223 -10.473 -5.061 1.00 0.00 C ATOM 761 OG1 THR A 50 3.809 -9.198 -5.530 1.00 0.00 O ATOM 762 CG2 THR A 50 4.898 -11.245 -6.194 1.00 0.00 C ATOM 0 H THR A 50 1.744 -10.450 -6.089 1.00 0.00 H new ATOM 0 HA THR A 50 3.280 -12.235 -4.182 1.00 0.00 H new ATOM 0 HB THR A 50 4.931 -10.344 -4.242 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.938 -9.148 -6.500 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.767 -10.689 -6.546 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.216 -12.222 -5.830 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.194 -11.376 -7.015 1.00 0.00 H new ATOM 770 N LYS A 51 1.036 -10.192 -3.569 1.00 0.00 N ATOM 771 CA LYS A 51 0.300 -9.452 -2.493 1.00 0.00 C ATOM 772 C LYS A 51 1.036 -8.154 -2.146 1.00 0.00 C ATOM 773 O LYS A 51 1.121 -7.767 -0.995 1.00 0.00 O ATOM 774 CB LYS A 51 0.269 -10.396 -1.283 1.00 0.00 C ATOM 775 CG LYS A 51 -0.428 -11.708 -1.664 1.00 0.00 C ATOM 776 CD LYS A 51 -1.875 -11.690 -1.167 1.00 0.00 C ATOM 777 CE LYS A 51 -2.349 -13.125 -0.931 1.00 0.00 C ATOM 778 NZ LYS A 51 -3.664 -12.987 -0.247 1.00 0.00 N ATOM 0 H LYS A 51 0.476 -10.424 -4.389 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.706 -9.175 -2.807 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.284 -10.599 -0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.256 -9.922 -0.454 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.407 -11.841 -2.746 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.105 -12.553 -1.229 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.947 -11.115 -0.244 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.516 -11.199 -1.899 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.448 -13.668 -1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.640 -13.679 -0.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.054 -13.931 -0.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.538 -12.472 0.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.320 -12.461 -0.859 1.00 0.00 H new ATOM 792 N THR A 52 1.573 -7.487 -3.135 1.00 0.00 N ATOM 793 CA THR A 52 2.311 -6.214 -2.870 1.00 0.00 C ATOM 794 C THR A 52 1.821 -5.106 -3.807 1.00 0.00 C ATOM 795 O THR A 52 1.560 -5.340 -4.971 1.00 0.00 O ATOM 796 CB THR A 52 3.779 -6.542 -3.150 1.00 0.00 C ATOM 797 OG1 THR A 52 4.122 -7.758 -2.498 1.00 0.00 O ATOM 798 CG2 THR A 52 4.665 -5.411 -2.627 1.00 0.00 C ATOM 0 H THR A 52 1.533 -7.768 -4.115 1.00 0.00 H new ATOM 0 HA THR A 52 2.158 -5.855 -1.852 1.00 0.00 H new ATOM 0 HB THR A 52 3.930 -6.650 -4.224 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.990 -8.508 -3.115 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.710 -5.646 -2.827 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.400 -4.480 -3.128 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.517 -5.300 -1.553 1.00 0.00 H new ATOM 806 N PHE A 53 1.703 -3.900 -3.306 1.00 0.00 N ATOM 807 CA PHE A 53 1.237 -2.770 -4.167 1.00 0.00 C ATOM 808 C PHE A 53 2.451 -2.051 -4.776 1.00 0.00 C ATOM 809 O PHE A 53 3.567 -2.525 -4.663 1.00 0.00 O ATOM 810 CB PHE A 53 0.451 -1.852 -3.228 1.00 0.00 C ATOM 811 CG PHE A 53 -0.848 -2.523 -2.832 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.845 -3.536 -1.862 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.055 -2.135 -3.432 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.047 -4.159 -1.494 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.252 -2.761 -3.062 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.248 -3.770 -2.093 1.00 0.00 C ATOM 0 H PHE A 53 1.909 -3.650 -2.339 1.00 0.00 H new ATOM 0 HA PHE A 53 0.618 -3.098 -5.002 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.043 -1.630 -2.340 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.246 -0.901 -3.720 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.083 -3.837 -1.398 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.061 -1.354 -4.178 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.044 -4.939 -0.748 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.181 -2.464 -3.526 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.173 -4.248 -1.808 1.00 0.00 H new ATOM 826 N THR A 54 2.258 -0.911 -5.411 1.00 0.00 N ATOM 827 CA THR A 54 3.411 -0.188 -6.009 1.00 0.00 C ATOM 828 C THR A 54 3.048 1.280 -6.099 1.00 0.00 C ATOM 829 O THR A 54 2.438 1.721 -7.055 1.00 0.00 O ATOM 830 CB THR A 54 3.618 -0.787 -7.404 1.00 0.00 C ATOM 831 OG1 THR A 54 3.258 -2.163 -7.398 1.00 0.00 O ATOM 832 CG2 THR A 54 5.087 -0.648 -7.801 1.00 0.00 C ATOM 0 H THR A 54 1.351 -0.460 -5.535 1.00 0.00 H new ATOM 0 HA THR A 54 4.324 -0.283 -5.421 1.00 0.00 H new ATOM 0 HB THR A 54 2.991 -0.256 -8.120 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.963 -2.428 -8.294 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.238 -1.073 -8.793 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.363 0.407 -7.813 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.710 -1.178 -7.081 1.00 0.00 H new ATOM 840 N VAL A 55 3.401 2.027 -5.097 1.00 0.00 N ATOM 841 CA VAL A 55 3.059 3.481 -5.097 1.00 0.00 C ATOM 842 C VAL A 55 4.208 4.300 -5.684 1.00 0.00 C ATOM 843 O VAL A 55 5.227 4.518 -5.057 1.00 0.00 O ATOM 844 CB VAL A 55 2.742 3.870 -3.627 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.821 3.357 -2.676 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.636 5.399 -3.483 1.00 0.00 C ATOM 0 H VAL A 55 3.911 1.700 -4.277 1.00 0.00 H new ATOM 0 HA VAL A 55 2.192 3.690 -5.724 1.00 0.00 H new ATOM 0 HB VAL A 55 1.789 3.409 -3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.572 3.644 -1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.879 2.271 -2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.783 3.789 -2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.414 5.652 -2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.581 5.858 -3.774 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.839 5.771 -4.126 1.00 0.00 H new ATOM 856 N THR A 56 4.024 4.769 -6.889 1.00 0.00 N ATOM 857 CA THR A 56 5.064 5.605 -7.543 1.00 0.00 C ATOM 858 C THR A 56 4.861 7.050 -7.065 1.00 0.00 C ATOM 859 O THR A 56 3.878 7.356 -6.413 1.00 0.00 O ATOM 860 CB THR A 56 4.796 5.425 -9.059 1.00 0.00 C ATOM 861 OG1 THR A 56 5.535 4.314 -9.537 1.00 0.00 O ATOM 862 CG2 THR A 56 5.196 6.668 -9.868 1.00 0.00 C ATOM 0 H THR A 56 3.189 4.605 -7.451 1.00 0.00 H new ATOM 0 HA THR A 56 6.094 5.336 -7.311 1.00 0.00 H new ATOM 0 HB THR A 56 3.725 5.266 -9.187 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.464 4.583 -9.695 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.990 6.496 -10.925 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.622 7.528 -9.522 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.260 6.864 -9.732 1.00 0.00 H new ATOM 870 N GLU A 57 5.767 7.933 -7.382 1.00 0.00 N ATOM 871 CA GLU A 57 5.609 9.353 -6.944 1.00 0.00 C ATOM 872 C GLU A 57 6.054 10.303 -8.057 1.00 0.00 C ATOM 873 O GLU A 57 6.462 11.408 -7.740 1.00 0.00 O ATOM 874 CB GLU A 57 6.518 9.493 -5.722 1.00 0.00 C ATOM 875 CG GLU A 57 5.964 10.575 -4.793 1.00 0.00 C ATOM 876 CD GLU A 57 7.121 11.293 -4.097 1.00 0.00 C ATOM 877 OE1 GLU A 57 8.017 10.612 -3.624 1.00 0.00 O ATOM 878 OE2 GLU A 57 7.092 12.512 -4.048 1.00 0.00 O ATOM 879 OXT GLU A 57 5.980 9.910 -9.210 1.00 0.00 O ATOM 0 H GLU A 57 6.608 7.736 -7.924 1.00 0.00 H new ATOM 0 HA GLU A 57 4.573 9.601 -6.712 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.582 8.542 -5.193 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.529 9.752 -6.036 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.370 11.289 -5.363 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.301 10.128 -4.052 1.00 0.00 H new