USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 467 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 1 THR N :NH3+ 167:sc= 1.32 (180deg=1.02) USER MOD Set 1.2: A 1 THR OG1 : rot 180:sc= 0.183 USER MOD Set 1.3: A 3 TYR OH : rot 165:sc= -5.23! USER MOD Set 1.4: A 45 TYR OH : rot 180:sc= -0.0424 USER MOD Set 1.5: A 50 LYS NZ :NH3+ 176:sc= 0.241 (180deg=0.129) USER MOD Set 2.1: A 31 LYS NZ :NH3+ -140:sc= -0.492 (180deg=0) USER MOD Set 2.2: A 35 ASN : amide:sc= -0.9 X(o=-1.4,f=-1.7!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.511 K(o=-0.51,f=-3.6!) USER MOD Single : A 10 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.00973) USER MOD Single : A 11 GLN : amide:sc= -2.42! C(o=-2.4!,f=-2.5!) USER MOD Single : A 13 LYS NZ :NH3+ -161:sc= -0.0336 (180deg=-0.285) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.0287 USER MOD Single : A 33 TYR OH : rot -176:sc= -1.1 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 110:sc= -3.87! USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.28 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -56:sc= 1.21 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0574 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc=-0.00863 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 3.276 -11.958 -0.267 1.00 0.00 N ATOM 2 CA THR A 1 3.919 -11.794 -1.597 1.00 0.00 C ATOM 3 C THR A 1 4.501 -10.392 -1.761 1.00 0.00 C ATOM 4 O THR A 1 4.590 -9.630 -0.799 1.00 0.00 O ATOM 5 CB THR A 1 2.875 -12.062 -2.683 1.00 0.00 C ATOM 6 OG1 THR A 1 1.807 -12.839 -2.171 1.00 0.00 O ATOM 7 CG2 THR A 1 3.433 -12.787 -3.887 1.00 0.00 C ATOM 0 H1 THR A 1 2.704 -12.827 -0.263 1.00 0.00 H new ATOM 0 H2 THR A 1 4.009 -12.022 0.468 1.00 0.00 H new ATOM 0 H3 THR A 1 2.664 -11.140 -0.074 1.00 0.00 H new ATOM 0 HA THR A 1 4.742 -12.504 -1.684 1.00 0.00 H new ATOM 0 HB THR A 1 2.532 -11.077 -3.000 1.00 0.00 H new ATOM 0 HG1 THR A 1 1.149 -12.998 -2.880 1.00 0.00 H new ATOM 0 HG21 THR A 1 2.639 -12.944 -4.617 1.00 0.00 H new ATOM 0 HG22 THR A 1 4.226 -12.189 -4.336 1.00 0.00 H new ATOM 0 HG23 THR A 1 3.837 -13.751 -3.577 1.00 0.00 H new ATOM 17 N THR A 2 4.893 -10.062 -2.988 1.00 0.00 N ATOM 18 CA THR A 2 5.463 -8.754 -3.284 1.00 0.00 C ATOM 19 C THR A 2 4.401 -7.665 -3.179 1.00 0.00 C ATOM 20 O THR A 2 3.401 -7.687 -3.897 1.00 0.00 O ATOM 21 CB THR A 2 6.075 -8.753 -4.687 1.00 0.00 C ATOM 22 OG1 THR A 2 7.061 -9.766 -4.803 1.00 0.00 O ATOM 23 CG2 THR A 2 6.722 -7.439 -5.055 1.00 0.00 C ATOM 0 H THR A 2 4.826 -10.684 -3.794 1.00 0.00 H new ATOM 0 HA THR A 2 6.244 -8.547 -2.552 1.00 0.00 H new ATOM 0 HB THR A 2 5.242 -8.932 -5.367 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.440 -9.752 -5.707 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.136 -7.506 -6.061 1.00 0.00 H new ATOM 0 HG22 THR A 2 5.977 -6.644 -5.022 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.521 -7.216 -4.348 1.00 0.00 H new ATOM 31 N TYR A 3 4.621 -6.713 -2.276 1.00 0.00 N ATOM 32 CA TYR A 3 3.677 -5.620 -2.074 1.00 0.00 C ATOM 33 C TYR A 3 4.219 -4.309 -2.639 1.00 0.00 C ATOM 34 O TYR A 3 5.339 -3.906 -2.336 1.00 0.00 O ATOM 35 CB TYR A 3 3.367 -5.466 -0.583 1.00 0.00 C ATOM 36 CG TYR A 3 2.106 -6.180 -0.163 1.00 0.00 C ATOM 37 CD1 TYR A 3 0.859 -5.624 -0.406 1.00 0.00 C ATOM 38 CD2 TYR A 3 2.165 -7.418 0.461 1.00 0.00 C ATOM 39 CE1 TYR A 3 -0.299 -6.282 -0.041 1.00 0.00 C ATOM 40 CE2 TYR A 3 1.011 -8.084 0.836 1.00 0.00 C ATOM 41 CZ TYR A 3 -0.216 -7.510 0.582 1.00 0.00 C ATOM 42 OH TYR A 3 -1.367 -8.171 0.944 1.00 0.00 O ATOM 0 H TYR A 3 5.444 -6.677 -1.674 1.00 0.00 H new ATOM 0 HA TYR A 3 2.758 -5.861 -2.609 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.205 -5.850 -0.002 1.00 0.00 H new ATOM 0 HB3 TYR A 3 3.274 -4.406 -0.345 1.00 0.00 H new ATOM 0 HD1 TYR A 3 0.792 -4.660 -0.889 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.127 -7.869 0.657 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.263 -5.838 -0.242 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.072 -9.046 1.324 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.157 -9.107 1.146 1.00 0.00 H new ATOM 52 N LYS A 4 3.413 -3.652 -3.468 1.00 0.00 N ATOM 53 CA LYS A 4 3.813 -2.391 -4.082 1.00 0.00 C ATOM 54 C LYS A 4 3.039 -1.214 -3.491 1.00 0.00 C ATOM 55 O LYS A 4 1.825 -1.293 -3.298 1.00 0.00 O ATOM 56 CB LYS A 4 3.590 -2.448 -5.596 1.00 0.00 C ATOM 57 CG LYS A 4 4.573 -1.602 -6.387 1.00 0.00 C ATOM 58 CD LYS A 4 3.863 -0.702 -7.388 1.00 0.00 C ATOM 59 CE LYS A 4 4.767 -0.335 -8.550 1.00 0.00 C ATOM 60 NZ LYS A 4 3.990 -0.021 -9.781 1.00 0.00 N ATOM 0 H LYS A 4 2.480 -3.972 -3.729 1.00 0.00 H new ATOM 0 HA LYS A 4 4.873 -2.241 -3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.666 -3.484 -5.927 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.576 -2.116 -5.818 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.161 -0.991 -5.702 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.271 -2.252 -6.914 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.973 -1.207 -7.764 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.527 0.206 -6.887 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.378 0.526 -8.277 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.450 -1.160 -8.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.644 0.225 -10.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.426 -0.850 -10.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.356 0.782 -9.596 1.00 0.00 H new ATOM 74 N LEU A 5 3.750 -0.123 -3.215 1.00 0.00 N ATOM 75 CA LEU A 5 3.128 1.075 -2.656 1.00 0.00 C ATOM 76 C LEU A 5 3.476 2.303 -3.487 1.00 0.00 C ATOM 77 O LEU A 5 4.594 2.428 -3.991 1.00 0.00 O ATOM 78 CB LEU A 5 3.566 1.286 -1.205 1.00 0.00 C ATOM 79 CG LEU A 5 3.058 2.571 -0.551 1.00 0.00 C ATOM 80 CD1 LEU A 5 1.539 2.561 -0.462 1.00 0.00 C ATOM 81 CD2 LEU A 5 3.670 2.746 0.830 1.00 0.00 C ATOM 0 H LEU A 5 4.755 -0.044 -3.369 1.00 0.00 H new ATOM 0 HA LEU A 5 2.048 0.932 -2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 5 3.225 0.437 -0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.655 1.284 -1.167 1.00 0.00 H new ATOM 0 HG LEU A 5 3.361 3.414 -1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.196 3.484 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.116 2.483 -1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.215 1.709 0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.296 3.666 1.280 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.398 1.898 1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.755 2.799 0.743 1.00 0.00 H new ATOM 93 N ILE A 6 2.516 3.209 -3.628 1.00 0.00 N ATOM 94 CA ILE A 6 2.721 4.428 -4.401 1.00 0.00 C ATOM 95 C ILE A 6 2.278 5.657 -3.615 1.00 0.00 C ATOM 96 O ILE A 6 1.141 5.730 -3.145 1.00 0.00 O ATOM 97 CB ILE A 6 1.954 4.371 -5.741 1.00 0.00 C ATOM 98 CG1 ILE A 6 1.954 5.742 -6.428 1.00 0.00 C ATOM 99 CG2 ILE A 6 0.527 3.893 -5.515 1.00 0.00 C ATOM 100 CD1 ILE A 6 1.473 5.698 -7.860 1.00 0.00 C ATOM 0 H ILE A 6 1.587 3.122 -3.217 1.00 0.00 H new ATOM 0 HA ILE A 6 3.789 4.505 -4.606 1.00 0.00 H new ATOM 0 HB ILE A 6 2.462 3.661 -6.394 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.320 6.424 -5.861 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.964 6.151 -6.405 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.000 3.858 -6.468 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.543 2.897 -5.072 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.015 4.581 -4.842 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.499 6.702 -8.284 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.121 5.042 -8.441 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.452 5.318 -7.889 1.00 0.00 H new ATOM 112 N LEU A 7 3.176 6.628 -3.487 1.00 0.00 N ATOM 113 CA LEU A 7 2.869 7.860 -2.772 1.00 0.00 C ATOM 114 C LEU A 7 2.998 9.069 -3.690 1.00 0.00 C ATOM 115 O LEU A 7 4.040 9.285 -4.305 1.00 0.00 O ATOM 116 CB LEU A 7 3.779 8.033 -1.556 1.00 0.00 C ATOM 117 CG LEU A 7 3.577 7.002 -0.437 1.00 0.00 C ATOM 118 CD1 LEU A 7 4.809 6.118 -0.290 1.00 0.00 C ATOM 119 CD2 LEU A 7 3.252 7.696 0.878 1.00 0.00 C ATOM 0 H LEU A 7 4.121 6.585 -3.869 1.00 0.00 H new ATOM 0 HA LEU A 7 1.837 7.789 -2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.816 7.986 -1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.621 9.029 -1.143 1.00 0.00 H new ATOM 0 HG LEU A 7 2.733 6.366 -0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.644 5.394 0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.992 5.590 -1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.673 6.736 -0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.112 6.949 1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.073 8.358 1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.338 8.279 0.766 1.00 0.00 H new ATOM 131 N ASN A 8 1.929 9.856 -3.778 1.00 0.00 N ATOM 132 CA ASN A 8 1.923 11.044 -4.621 1.00 0.00 C ATOM 133 C ASN A 8 1.837 12.312 -3.779 1.00 0.00 C ATOM 134 O ASN A 8 0.781 12.638 -3.237 1.00 0.00 O ATOM 135 CB ASN A 8 0.751 10.988 -5.607 1.00 0.00 C ATOM 136 CG ASN A 8 1.206 10.705 -7.026 1.00 0.00 C ATOM 137 OD1 ASN A 8 2.293 10.170 -7.249 1.00 0.00 O ATOM 138 ND2 ASN A 8 0.372 11.063 -7.997 1.00 0.00 N ATOM 0 H ASN A 8 1.057 9.691 -3.275 1.00 0.00 H new ATOM 0 HA ASN A 8 2.859 11.067 -5.180 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.050 10.215 -5.291 1.00 0.00 H new ATOM 0 HB3 ASN A 8 0.213 11.936 -5.582 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.623 10.897 -8.972 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.519 11.504 -7.767 1.00 0.00 H new ATOM 145 N LEU A 9 2.955 13.024 -3.673 1.00 0.00 N ATOM 146 CA LEU A 9 3.005 14.258 -2.898 1.00 0.00 C ATOM 147 C LEU A 9 2.606 15.450 -3.755 1.00 0.00 C ATOM 148 O LEU A 9 2.283 15.300 -4.935 1.00 0.00 O ATOM 149 CB LEU A 9 4.406 14.469 -2.326 1.00 0.00 C ATOM 150 CG LEU A 9 4.693 13.761 -1.004 1.00 0.00 C ATOM 151 CD1 LEU A 9 6.064 14.146 -0.475 1.00 0.00 C ATOM 152 CD2 LEU A 9 3.617 14.090 0.023 1.00 0.00 C ATOM 0 H LEU A 9 3.838 12.767 -4.114 1.00 0.00 H new ATOM 0 HA LEU A 9 2.296 14.172 -2.075 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.134 14.132 -3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.565 15.538 -2.187 1.00 0.00 H new ATOM 0 HG LEU A 9 4.684 12.686 -1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.248 13.630 0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.827 13.861 -1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.102 15.223 -0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.838 13.577 0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.596 15.166 0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.646 13.763 -0.350 1.00 0.00 H new ATOM 164 N LYS A 10 2.633 16.636 -3.159 1.00 0.00 N ATOM 165 CA LYS A 10 2.281 17.855 -3.875 1.00 0.00 C ATOM 166 C LYS A 10 3.532 18.564 -4.382 1.00 0.00 C ATOM 167 O LYS A 10 3.557 19.794 -4.478 1.00 0.00 O ATOM 168 CB LYS A 10 1.482 18.788 -2.966 1.00 0.00 C ATOM 169 CG LYS A 10 0.355 19.514 -3.684 1.00 0.00 C ATOM 170 CD LYS A 10 -0.500 20.311 -2.712 1.00 0.00 C ATOM 171 CE LYS A 10 0.156 21.618 -2.325 1.00 0.00 C ATOM 172 NZ LYS A 10 0.033 22.642 -3.401 1.00 0.00 N ATOM 0 H LYS A 10 2.895 16.779 -2.184 1.00 0.00 H new ATOM 0 HA LYS A 10 1.667 17.583 -4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.064 18.210 -2.142 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.158 19.524 -2.529 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.773 20.183 -4.437 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.268 18.791 -4.211 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.471 20.512 -3.164 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.682 19.717 -1.816 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.300 21.996 -1.410 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.210 21.445 -2.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.404 23.551 -3.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.576 22.337 -4.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.968 22.753 -3.662 1.00 0.00 H new ATOM 186 N GLN A 11 4.557 17.794 -4.703 1.00 0.00 N ATOM 187 CA GLN A 11 5.809 18.345 -5.199 1.00 0.00 C ATOM 188 C GLN A 11 6.542 17.331 -6.073 1.00 0.00 C ATOM 189 O GLN A 11 7.017 17.659 -7.159 1.00 0.00 O ATOM 190 CB GLN A 11 6.702 18.766 -4.030 1.00 0.00 C ATOM 191 CG GLN A 11 6.878 17.684 -2.979 1.00 0.00 C ATOM 192 CD GLN A 11 7.008 18.249 -1.578 1.00 0.00 C ATOM 193 OE1 GLN A 11 7.004 19.467 -1.383 1.00 0.00 O ATOM 194 NE2 GLN A 11 7.130 17.369 -0.596 1.00 0.00 N ATOM 0 H GLN A 11 4.547 16.777 -4.629 1.00 0.00 H new ATOM 0 HA GLN A 11 5.577 19.220 -5.806 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.681 19.049 -4.416 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.276 19.652 -3.559 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.026 17.005 -3.016 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.765 17.096 -3.213 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.128 16.370 -0.803 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.226 17.690 0.367 1.00 0.00 H new ATOM 203 N ALA A 12 6.622 16.093 -5.591 1.00 0.00 N ATOM 204 CA ALA A 12 7.296 15.032 -6.327 1.00 0.00 C ATOM 205 C ALA A 12 6.557 13.707 -6.170 1.00 0.00 C ATOM 206 O ALA A 12 5.737 13.545 -5.266 1.00 0.00 O ATOM 207 CB ALA A 12 8.731 14.889 -5.854 1.00 0.00 C ATOM 0 H ALA A 12 6.229 15.803 -4.696 1.00 0.00 H new ATOM 0 HA ALA A 12 7.298 15.301 -7.383 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.221 14.092 -6.414 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.263 15.826 -6.017 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.741 14.645 -4.792 1.00 0.00 H new ATOM 213 N LYS A 13 6.850 12.758 -7.056 1.00 0.00 N ATOM 214 CA LYS A 13 6.217 11.449 -7.020 1.00 0.00 C ATOM 215 C LYS A 13 7.134 10.416 -6.370 1.00 0.00 C ATOM 216 O LYS A 13 8.250 10.188 -6.835 1.00 0.00 O ATOM 217 CB LYS A 13 5.844 11.000 -8.432 1.00 0.00 C ATOM 218 CG LYS A 13 4.526 11.578 -8.928 1.00 0.00 C ATOM 219 CD LYS A 13 4.688 12.247 -10.284 1.00 0.00 C ATOM 220 CE LYS A 13 5.248 13.656 -10.152 1.00 0.00 C ATOM 221 NZ LYS A 13 4.260 14.588 -9.542 1.00 0.00 N ATOM 0 H LYS A 13 7.526 12.876 -7.810 1.00 0.00 H new ATOM 0 HA LYS A 13 5.310 11.530 -6.421 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.639 11.290 -9.118 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.785 9.912 -8.454 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.783 10.784 -8.999 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.150 12.303 -8.206 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.351 11.649 -10.908 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.723 12.285 -10.789 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.151 13.633 -9.542 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.538 14.026 -11.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.531 15.569 -9.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.315 14.397 -9.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.243 14.450 -8.511 1.00 0.00 H new ATOM 235 N GLU A 14 6.652 9.792 -5.297 1.00 0.00 N ATOM 236 CA GLU A 14 7.436 8.791 -4.588 1.00 0.00 C ATOM 237 C GLU A 14 6.763 7.422 -4.672 1.00 0.00 C ATOM 238 O GLU A 14 5.569 7.290 -4.408 1.00 0.00 O ATOM 239 CB GLU A 14 7.617 9.192 -3.124 1.00 0.00 C ATOM 240 CG GLU A 14 8.391 10.486 -2.940 1.00 0.00 C ATOM 241 CD GLU A 14 9.837 10.362 -3.375 1.00 0.00 C ATOM 242 OE1 GLU A 14 10.412 9.264 -3.222 1.00 0.00 O ATOM 243 OE2 GLU A 14 10.396 11.366 -3.871 1.00 0.00 O ATOM 0 H GLU A 14 5.727 9.963 -4.903 1.00 0.00 H new ATOM 0 HA GLU A 14 8.416 8.730 -5.061 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.636 9.296 -2.660 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.135 8.390 -2.598 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.909 11.279 -3.512 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.354 10.782 -1.892 1.00 0.00 H new ATOM 250 N GLU A 15 7.540 6.408 -5.042 1.00 0.00 N ATOM 251 CA GLU A 15 7.018 5.051 -5.159 1.00 0.00 C ATOM 252 C GLU A 15 8.091 4.024 -4.808 1.00 0.00 C ATOM 253 O GLU A 15 9.248 4.162 -5.201 1.00 0.00 O ATOM 254 CB GLU A 15 6.502 4.801 -6.578 1.00 0.00 C ATOM 255 CG GLU A 15 7.482 5.213 -7.663 1.00 0.00 C ATOM 256 CD GLU A 15 6.797 5.824 -8.869 1.00 0.00 C ATOM 257 OE1 GLU A 15 6.537 7.044 -8.847 1.00 0.00 O ATOM 258 OE2 GLU A 15 6.522 5.080 -9.834 1.00 0.00 O ATOM 0 H GLU A 15 8.531 6.500 -5.265 1.00 0.00 H new ATOM 0 HA GLU A 15 6.193 4.944 -4.455 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.272 3.741 -6.691 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.568 5.346 -6.717 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.192 5.930 -7.252 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.055 4.342 -7.979 1.00 0.00 H new ATOM 265 N ALA A 16 7.697 2.995 -4.064 1.00 0.00 N ATOM 266 CA ALA A 16 8.625 1.945 -3.659 1.00 0.00 C ATOM 267 C ALA A 16 7.982 0.566 -3.778 1.00 0.00 C ATOM 268 O ALA A 16 6.789 0.450 -4.048 1.00 0.00 O ATOM 269 CB ALA A 16 9.104 2.187 -2.235 1.00 0.00 C ATOM 0 H ALA A 16 6.742 2.866 -3.730 1.00 0.00 H new ATOM 0 HA ALA A 16 9.484 1.974 -4.330 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.796 1.396 -1.945 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.610 3.151 -2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.249 2.187 -1.559 1.00 0.00 H new ATOM 275 N ILE A 17 8.785 -0.473 -3.569 1.00 0.00 N ATOM 276 CA ILE A 17 8.297 -1.844 -3.652 1.00 0.00 C ATOM 277 C ILE A 17 8.837 -2.682 -2.490 1.00 0.00 C ATOM 278 O ILE A 17 10.049 -2.785 -2.300 1.00 0.00 O ATOM 279 CB ILE A 17 8.674 -2.486 -5.013 1.00 0.00 C ATOM 280 CG1 ILE A 17 7.513 -3.323 -5.545 1.00 0.00 C ATOM 281 CG2 ILE A 17 9.941 -3.330 -4.911 1.00 0.00 C ATOM 282 CD1 ILE A 17 7.175 -4.516 -4.680 1.00 0.00 C ATOM 0 H ILE A 17 9.776 -0.391 -3.341 1.00 0.00 H new ATOM 0 HA ILE A 17 7.210 -1.820 -3.580 1.00 0.00 H new ATOM 0 HB ILE A 17 8.878 -1.677 -5.714 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.631 -2.689 -5.634 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.758 -3.671 -6.548 1.00 0.00 H new ATOM 0 HG21 ILE A 17 10.170 -3.762 -5.885 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.771 -2.702 -4.588 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.788 -4.130 -4.187 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.341 -5.061 -5.122 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.042 -5.173 -4.611 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.898 -4.175 -3.682 1.00 0.00 H new ATOM 294 N LYS A 18 7.932 -3.269 -1.712 1.00 0.00 N ATOM 295 CA LYS A 18 8.327 -4.085 -0.567 1.00 0.00 C ATOM 296 C LYS A 18 7.605 -5.431 -0.575 1.00 0.00 C ATOM 297 O LYS A 18 6.405 -5.502 -0.842 1.00 0.00 O ATOM 298 CB LYS A 18 8.032 -3.353 0.750 1.00 0.00 C ATOM 299 CG LYS A 18 8.000 -1.832 0.636 1.00 0.00 C ATOM 300 CD LYS A 18 9.325 -1.208 1.038 1.00 0.00 C ATOM 301 CE LYS A 18 10.316 -1.205 -0.114 1.00 0.00 C ATOM 302 NZ LYS A 18 11.442 -0.261 0.125 1.00 0.00 N ATOM 0 H LYS A 18 6.924 -3.196 -1.852 1.00 0.00 H new ATOM 0 HA LYS A 18 9.400 -4.262 -0.646 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.071 -3.696 1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.787 -3.634 1.484 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.761 -1.549 -0.389 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.205 -1.437 1.269 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.158 -0.186 1.377 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.746 -1.758 1.879 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.710 -2.211 -0.257 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.801 -0.931 -1.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.096 -0.289 -0.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.069 0.703 0.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.949 -0.537 0.990 1.00 0.00 H new ATOM 316 N GLU A 19 8.342 -6.497 -0.271 1.00 0.00 N ATOM 317 CA GLU A 19 7.773 -7.839 -0.236 1.00 0.00 C ATOM 318 C GLU A 19 7.359 -8.216 1.185 1.00 0.00 C ATOM 319 O GLU A 19 8.117 -8.017 2.134 1.00 0.00 O ATOM 320 CB GLU A 19 8.783 -8.855 -0.773 1.00 0.00 C ATOM 321 CG GLU A 19 8.161 -10.193 -1.136 1.00 0.00 C ATOM 322 CD GLU A 19 9.180 -11.184 -1.664 1.00 0.00 C ATOM 323 OE1 GLU A 19 10.305 -11.224 -1.120 1.00 0.00 O ATOM 324 OE2 GLU A 19 8.852 -11.922 -2.616 1.00 0.00 O ATOM 0 H GLU A 19 9.336 -6.456 -0.045 1.00 0.00 H new ATOM 0 HA GLU A 19 6.885 -7.850 -0.869 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.271 -8.439 -1.654 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.559 -9.015 -0.024 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.672 -10.613 -0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.387 -10.038 -1.887 1.00 0.00 H new ATOM 331 N LEU A 20 6.153 -8.761 1.323 1.00 0.00 N ATOM 332 CA LEU A 20 5.638 -9.167 2.629 1.00 0.00 C ATOM 333 C LEU A 20 4.953 -10.528 2.537 1.00 0.00 C ATOM 334 O LEU A 20 4.982 -11.175 1.491 1.00 0.00 O ATOM 335 CB LEU A 20 4.661 -8.122 3.181 1.00 0.00 C ATOM 336 CG LEU A 20 5.295 -6.803 3.630 1.00 0.00 C ATOM 337 CD1 LEU A 20 6.428 -7.063 4.613 1.00 0.00 C ATOM 338 CD2 LEU A 20 5.798 -6.015 2.429 1.00 0.00 C ATOM 0 H LEU A 20 5.514 -8.932 0.547 1.00 0.00 H new ATOM 0 HA LEU A 20 6.483 -9.245 3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.916 -7.905 2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.130 -8.557 4.028 1.00 0.00 H new ATOM 0 HG LEU A 20 4.533 -6.209 4.134 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.867 -6.114 4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.038 -7.584 5.488 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.191 -7.677 4.135 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.245 -5.081 2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.545 -6.602 1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.964 -5.797 1.762 1.00 0.00 H new ATOM 350 N VAL A 21 4.343 -10.964 3.637 1.00 0.00 N ATOM 351 CA VAL A 21 3.656 -12.249 3.670 1.00 0.00 C ATOM 352 C VAL A 21 2.150 -12.082 3.488 1.00 0.00 C ATOM 353 O VAL A 21 1.524 -12.808 2.715 1.00 0.00 O ATOM 354 CB VAL A 21 3.929 -13.005 4.983 1.00 0.00 C ATOM 355 CG1 VAL A 21 3.364 -12.239 6.163 1.00 0.00 C ATOM 356 CG2 VAL A 21 3.353 -14.412 4.923 1.00 0.00 C ATOM 0 H VAL A 21 4.312 -10.446 4.515 1.00 0.00 H new ATOM 0 HA VAL A 21 4.051 -12.833 2.839 1.00 0.00 H new ATOM 0 HB VAL A 21 5.008 -13.088 5.115 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.566 -12.787 7.083 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.832 -11.256 6.216 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.287 -12.122 6.039 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.557 -14.929 5.861 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.276 -14.358 4.765 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.813 -14.959 4.100 1.00 0.00 H new ATOM 366 N ASP A 22 1.574 -11.122 4.204 1.00 0.00 N ATOM 367 CA ASP A 22 0.142 -10.860 4.120 1.00 0.00 C ATOM 368 C ASP A 22 -0.126 -9.362 4.009 1.00 0.00 C ATOM 369 O ASP A 22 0.784 -8.548 4.170 1.00 0.00 O ATOM 370 CB ASP A 22 -0.575 -11.431 5.345 1.00 0.00 C ATOM 371 CG ASP A 22 -1.800 -12.247 4.972 1.00 0.00 C ATOM 372 OD1 ASP A 22 -2.689 -11.699 4.288 1.00 0.00 O ATOM 373 OD2 ASP A 22 -1.866 -13.431 5.362 1.00 0.00 O ATOM 0 H ASP A 22 2.077 -10.513 4.849 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.243 -11.349 3.225 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.117 -12.057 5.908 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.873 -10.614 6.002 1.00 0.00 H new ATOM 378 N ALA A 23 -1.375 -9.003 3.731 1.00 0.00 N ATOM 379 CA ALA A 23 -1.745 -7.598 3.600 1.00 0.00 C ATOM 380 C ALA A 23 -1.808 -6.917 4.959 1.00 0.00 C ATOM 381 O ALA A 23 -1.313 -5.806 5.124 1.00 0.00 O ATOM 382 CB ALA A 23 -3.070 -7.455 2.876 1.00 0.00 C ATOM 0 H ALA A 23 -2.143 -9.660 3.593 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.972 -7.106 3.009 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.326 -6.399 2.790 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.989 -7.891 1.880 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.849 -7.972 3.437 1.00 0.00 H new ATOM 388 N ALA A 24 -2.411 -7.591 5.937 1.00 0.00 N ATOM 389 CA ALA A 24 -2.516 -7.041 7.282 1.00 0.00 C ATOM 390 C ALA A 24 -1.164 -6.504 7.729 1.00 0.00 C ATOM 391 O ALA A 24 -1.044 -5.362 8.178 1.00 0.00 O ATOM 392 CB ALA A 24 -3.023 -8.097 8.253 1.00 0.00 C ATOM 0 H ALA A 24 -2.831 -8.513 5.822 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.233 -6.220 7.272 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.095 -7.668 9.252 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.007 -8.442 7.935 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.331 -8.939 8.269 1.00 0.00 H new ATOM 398 N THR A 25 -0.141 -7.334 7.573 1.00 0.00 N ATOM 399 CA THR A 25 1.211 -6.940 7.931 1.00 0.00 C ATOM 400 C THR A 25 1.716 -5.901 6.946 1.00 0.00 C ATOM 401 O THR A 25 2.352 -4.921 7.336 1.00 0.00 O ATOM 402 CB THR A 25 2.142 -8.162 7.951 1.00 0.00 C ATOM 403 OG1 THR A 25 2.034 -8.851 9.184 1.00 0.00 O ATOM 404 CG2 THR A 25 3.604 -7.820 7.746 1.00 0.00 C ATOM 0 H THR A 25 -0.223 -8.281 7.202 1.00 0.00 H new ATOM 0 HA THR A 25 1.202 -6.507 8.931 1.00 0.00 H new ATOM 0 HB THR A 25 1.815 -8.781 7.115 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.632 -9.627 9.179 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.199 -8.733 7.773 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.732 -7.332 6.780 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.935 -7.148 8.538 1.00 0.00 H new ATOM 412 N ALA A 26 1.414 -6.105 5.666 1.00 0.00 N ATOM 413 CA ALA A 26 1.830 -5.160 4.644 1.00 0.00 C ATOM 414 C ALA A 26 1.379 -3.766 5.043 1.00 0.00 C ATOM 415 O ALA A 26 2.172 -2.831 5.100 1.00 0.00 O ATOM 416 CB ALA A 26 1.250 -5.547 3.289 1.00 0.00 C ATOM 0 H ALA A 26 0.889 -6.908 5.319 1.00 0.00 H new ATOM 0 HA ALA A 26 2.916 -5.175 4.557 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.573 -4.828 2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.600 -6.542 3.014 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.162 -5.549 3.346 1.00 0.00 H new ATOM 422 N GLU A 27 0.096 -3.656 5.345 1.00 0.00 N ATOM 423 CA GLU A 27 -0.496 -2.401 5.775 1.00 0.00 C ATOM 424 C GLU A 27 0.280 -1.810 6.942 1.00 0.00 C ATOM 425 O GLU A 27 0.394 -0.594 7.071 1.00 0.00 O ATOM 426 CB GLU A 27 -1.946 -2.637 6.190 1.00 0.00 C ATOM 427 CG GLU A 27 -2.667 -1.378 6.646 1.00 0.00 C ATOM 428 CD GLU A 27 -3.863 -1.677 7.527 1.00 0.00 C ATOM 429 OE1 GLU A 27 -4.443 -2.772 7.386 1.00 0.00 O ATOM 430 OE2 GLU A 27 -4.219 -0.814 8.355 1.00 0.00 O ATOM 0 H GLU A 27 -0.563 -4.433 5.299 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.460 -1.697 4.944 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.488 -3.071 5.350 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.969 -3.370 6.997 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.970 -0.742 7.191 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.996 -0.816 5.772 1.00 0.00 H new ATOM 437 N LYS A 28 0.814 -2.679 7.793 1.00 0.00 N ATOM 438 CA LYS A 28 1.583 -2.229 8.945 1.00 0.00 C ATOM 439 C LYS A 28 2.941 -1.702 8.500 1.00 0.00 C ATOM 440 O LYS A 28 3.364 -0.613 8.892 1.00 0.00 O ATOM 441 CB LYS A 28 1.764 -3.369 9.948 1.00 0.00 C ATOM 442 CG LYS A 28 0.593 -3.528 10.907 1.00 0.00 C ATOM 443 CD LYS A 28 1.031 -4.145 12.224 1.00 0.00 C ATOM 444 CE LYS A 28 1.806 -3.151 13.074 1.00 0.00 C ATOM 445 NZ LYS A 28 0.947 -2.514 14.109 1.00 0.00 N ATOM 0 H LYS A 28 0.729 -3.692 7.707 1.00 0.00 H new ATOM 0 HA LYS A 28 1.034 -1.422 9.431 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.906 -4.302 9.403 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.673 -3.195 10.523 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.139 -2.555 11.093 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.172 -4.154 10.448 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.156 -4.491 12.774 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.651 -5.020 12.029 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.640 -3.660 13.558 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.233 -2.380 12.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.514 -1.844 14.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.166 -2.006 13.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.560 -3.246 14.738 1.00 0.00 H new ATOM 459 N TYR A 29 3.615 -2.485 7.666 1.00 0.00 N ATOM 460 CA TYR A 29 4.923 -2.110 7.151 1.00 0.00 C ATOM 461 C TYR A 29 4.805 -0.973 6.141 1.00 0.00 C ATOM 462 O TYR A 29 5.402 0.090 6.309 1.00 0.00 O ATOM 463 CB TYR A 29 5.595 -3.315 6.491 1.00 0.00 C ATOM 464 CG TYR A 29 6.944 -2.997 5.882 1.00 0.00 C ATOM 465 CD1 TYR A 29 7.037 -2.234 4.726 1.00 0.00 C ATOM 466 CD2 TYR A 29 8.120 -3.450 6.467 1.00 0.00 C ATOM 467 CE1 TYR A 29 8.260 -1.932 4.166 1.00 0.00 C ATOM 468 CE2 TYR A 29 9.350 -3.151 5.911 1.00 0.00 C ATOM 469 CZ TYR A 29 9.414 -2.393 4.761 1.00 0.00 C ATOM 470 OH TYR A 29 10.637 -2.092 4.205 1.00 0.00 O ATOM 0 H TYR A 29 3.274 -3.387 7.332 1.00 0.00 H new ATOM 0 HA TYR A 29 5.531 -1.770 7.989 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.717 -4.104 7.233 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.938 -3.707 5.714 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.135 -1.870 4.257 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.073 -4.044 7.368 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.313 -1.337 3.266 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.257 -3.510 6.375 1.00 0.00 H new ATOM 0 HH TYR A 29 11.350 -2.491 4.747 1.00 0.00 H new ATOM 480 N PHE A 30 4.045 -1.217 5.079 1.00 0.00 N ATOM 481 CA PHE A 30 3.855 -0.234 4.022 1.00 0.00 C ATOM 482 C PHE A 30 3.376 1.105 4.580 1.00 0.00 C ATOM 483 O PHE A 30 3.651 2.156 4.002 1.00 0.00 O ATOM 484 CB PHE A 30 2.871 -0.769 2.972 1.00 0.00 C ATOM 485 CG PHE A 30 3.479 -1.031 1.613 1.00 0.00 C ATOM 486 CD1 PHE A 30 4.722 -0.513 1.263 1.00 0.00 C ATOM 487 CD2 PHE A 30 2.802 -1.807 0.685 1.00 0.00 C ATOM 488 CE1 PHE A 30 5.271 -0.765 0.022 1.00 0.00 C ATOM 489 CE2 PHE A 30 3.352 -2.061 -0.558 1.00 0.00 C ATOM 490 CZ PHE A 30 4.586 -1.542 -0.891 1.00 0.00 C ATOM 0 H PHE A 30 3.548 -2.095 4.928 1.00 0.00 H new ATOM 0 HA PHE A 30 4.820 -0.062 3.545 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.432 -1.695 3.343 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.057 -0.053 2.859 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.265 0.095 1.972 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.835 -2.217 0.935 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.236 -0.354 -0.235 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.813 -2.668 -1.271 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.015 -1.743 -1.862 1.00 0.00 H new ATOM 500 N LYS A 31 2.679 1.066 5.711 1.00 0.00 N ATOM 501 CA LYS A 31 2.191 2.289 6.336 1.00 0.00 C ATOM 502 C LYS A 31 3.331 3.005 7.047 1.00 0.00 C ATOM 503 O LYS A 31 3.371 4.233 7.107 1.00 0.00 O ATOM 504 CB LYS A 31 1.064 1.982 7.326 1.00 0.00 C ATOM 505 CG LYS A 31 0.577 3.199 8.097 1.00 0.00 C ATOM 506 CD LYS A 31 1.178 3.253 9.493 1.00 0.00 C ATOM 507 CE LYS A 31 1.451 4.683 9.925 1.00 0.00 C ATOM 508 NZ LYS A 31 1.836 4.768 11.361 1.00 0.00 N ATOM 0 H LYS A 31 2.441 0.209 6.210 1.00 0.00 H new ATOM 0 HA LYS A 31 1.795 2.938 5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.225 1.547 6.783 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.410 1.229 8.034 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.840 4.105 7.552 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.510 3.174 8.169 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.498 2.781 10.202 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.106 2.682 9.513 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.248 5.101 9.311 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.563 5.290 9.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.387 5.601 11.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.521 3.909 11.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.870 4.853 11.439 1.00 0.00 H new ATOM 522 N LEU A 32 4.269 2.222 7.575 1.00 0.00 N ATOM 523 CA LEU A 32 5.421 2.777 8.272 1.00 0.00 C ATOM 524 C LEU A 32 6.362 3.476 7.292 1.00 0.00 C ATOM 525 O LEU A 32 7.100 4.387 7.667 1.00 0.00 O ATOM 526 CB LEU A 32 6.171 1.672 9.020 1.00 0.00 C ATOM 527 CG LEU A 32 6.134 1.787 10.546 1.00 0.00 C ATOM 528 CD1 LEU A 32 5.141 0.802 11.130 1.00 0.00 C ATOM 529 CD2 LEU A 32 7.522 1.562 11.132 1.00 0.00 C ATOM 0 H LEU A 32 4.252 1.203 7.532 1.00 0.00 H new ATOM 0 HA LEU A 32 5.062 3.513 8.992 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.750 0.709 8.733 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.211 1.675 8.695 1.00 0.00 H new ATOM 0 HG LEU A 32 5.811 2.794 10.808 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.129 0.898 12.216 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.147 1.011 10.736 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.433 -0.213 10.859 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.477 1.647 12.218 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.875 0.567 10.861 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.209 2.310 10.737 1.00 0.00 H new ATOM 541 N TYR A 33 6.323 3.047 6.032 1.00 0.00 N ATOM 542 CA TYR A 33 7.167 3.631 4.998 1.00 0.00 C ATOM 543 C TYR A 33 6.564 4.936 4.488 1.00 0.00 C ATOM 544 O TYR A 33 7.215 5.979 4.501 1.00 0.00 O ATOM 545 CB TYR A 33 7.341 2.639 3.839 1.00 0.00 C ATOM 546 CG TYR A 33 7.924 3.250 2.584 1.00 0.00 C ATOM 547 CD1 TYR A 33 7.135 4.005 1.719 1.00 0.00 C ATOM 548 CD2 TYR A 33 9.265 3.074 2.263 1.00 0.00 C ATOM 549 CE1 TYR A 33 7.666 4.560 0.574 1.00 0.00 C ATOM 550 CE2 TYR A 33 9.803 3.630 1.118 1.00 0.00 C ATOM 551 CZ TYR A 33 9.000 4.371 0.276 1.00 0.00 C ATOM 552 OH TYR A 33 9.533 4.926 -0.864 1.00 0.00 O ATOM 0 H TYR A 33 5.715 2.296 5.705 1.00 0.00 H new ATOM 0 HA TYR A 33 8.144 3.848 5.429 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.986 1.824 4.167 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.371 2.202 3.601 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.091 4.158 1.949 1.00 0.00 H new ATOM 0 HD2 TYR A 33 9.897 2.493 2.919 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.040 5.141 -0.087 1.00 0.00 H new ATOM 0 HE2 TYR A 33 10.847 3.485 0.883 1.00 0.00 H new ATOM 0 HH TYR A 33 10.467 4.646 -0.958 1.00 0.00 H new ATOM 562 N ALA A 34 5.317 4.866 4.035 1.00 0.00 N ATOM 563 CA ALA A 34 4.623 6.036 3.515 1.00 0.00 C ATOM 564 C ALA A 34 4.534 7.139 4.563 1.00 0.00 C ATOM 565 O ALA A 34 4.501 8.324 4.229 1.00 0.00 O ATOM 566 CB ALA A 34 3.236 5.648 3.033 1.00 0.00 C ATOM 0 H ALA A 34 4.766 4.008 4.018 1.00 0.00 H new ATOM 0 HA ALA A 34 5.196 6.424 2.673 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.725 6.530 2.646 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.321 4.902 2.243 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.665 5.233 3.864 1.00 0.00 H new ATOM 572 N ASN A 35 4.497 6.745 5.832 1.00 0.00 N ATOM 573 CA ASN A 35 4.409 7.705 6.928 1.00 0.00 C ATOM 574 C ASN A 35 5.783 8.270 7.272 1.00 0.00 C ATOM 575 O ASN A 35 5.899 9.404 7.739 1.00 0.00 O ATOM 576 CB ASN A 35 3.795 7.041 8.163 1.00 0.00 C ATOM 577 CG ASN A 35 3.192 8.052 9.117 1.00 0.00 C ATOM 578 OD1 ASN A 35 3.055 9.231 8.793 1.00 0.00 O ATOM 579 ND2 ASN A 35 2.821 7.592 10.310 1.00 0.00 N ATOM 0 H ASN A 35 4.527 5.769 6.127 1.00 0.00 H new ATOM 0 HA ASN A 35 3.770 8.528 6.607 1.00 0.00 H new ATOM 0 HB2 ASN A 35 3.025 6.336 7.849 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.561 6.466 8.683 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.406 8.225 10.994 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.952 6.607 10.540 1.00 0.00 H new ATOM 586 N ALA A 36 6.825 7.476 7.042 1.00 0.00 N ATOM 587 CA ALA A 36 8.189 7.903 7.333 1.00 0.00 C ATOM 588 C ALA A 36 8.803 8.638 6.145 1.00 0.00 C ATOM 589 O ALA A 36 9.298 9.757 6.286 1.00 0.00 O ATOM 590 CB ALA A 36 9.046 6.702 7.709 1.00 0.00 C ATOM 0 H ALA A 36 6.751 6.535 6.656 1.00 0.00 H new ATOM 0 HA ALA A 36 8.154 8.594 8.175 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.062 7.033 7.924 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.627 6.218 8.592 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.063 5.994 6.881 1.00 0.00 H new ATOM 596 N LYS A 37 8.765 8.004 4.978 1.00 0.00 N ATOM 597 CA LYS A 37 9.320 8.597 3.767 1.00 0.00 C ATOM 598 C LYS A 37 8.653 9.935 3.456 1.00 0.00 C ATOM 599 O LYS A 37 9.279 10.990 3.557 1.00 0.00 O ATOM 600 CB LYS A 37 9.153 7.639 2.584 1.00 0.00 C ATOM 601 CG LYS A 37 10.469 7.108 2.041 1.00 0.00 C ATOM 602 CD LYS A 37 11.039 6.013 2.929 1.00 0.00 C ATOM 603 CE LYS A 37 12.308 5.424 2.341 1.00 0.00 C ATOM 604 NZ LYS A 37 12.897 4.375 3.221 1.00 0.00 N ATOM 0 H LYS A 37 8.356 7.079 4.845 1.00 0.00 H new ATOM 0 HA LYS A 37 10.382 8.776 3.934 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.531 6.799 2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.620 8.153 1.784 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.317 6.719 1.034 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.187 7.924 1.963 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.249 6.418 3.919 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.297 5.225 3.059 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.089 4.996 1.363 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.038 6.218 2.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.762 3.999 2.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.130 4.789 4.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.211 3.604 3.349 1.00 0.00 H new ATOM 618 N THR A 38 7.379 9.882 3.075 1.00 0.00 N ATOM 619 CA THR A 38 6.630 11.090 2.746 1.00 0.00 C ATOM 620 C THR A 38 5.544 11.350 3.795 1.00 0.00 C ATOM 621 O THR A 38 5.642 10.876 4.926 1.00 0.00 O ATOM 622 CB THR A 38 6.008 10.958 1.353 1.00 0.00 C ATOM 623 OG1 THR A 38 4.997 9.967 1.347 1.00 0.00 O ATOM 624 CG2 THR A 38 7.014 10.594 0.282 1.00 0.00 C ATOM 0 H THR A 38 6.845 9.017 2.987 1.00 0.00 H new ATOM 0 HA THR A 38 7.315 11.938 2.745 1.00 0.00 H new ATOM 0 HB THR A 38 5.597 11.942 1.125 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.121 10.394 1.247 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.509 10.516 -0.681 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.782 11.365 0.227 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.477 9.638 0.527 1.00 0.00 H new ATOM 632 N VAL A 39 4.509 12.104 3.422 1.00 0.00 N ATOM 633 CA VAL A 39 3.419 12.413 4.341 1.00 0.00 C ATOM 634 C VAL A 39 2.269 11.424 4.171 1.00 0.00 C ATOM 635 O VAL A 39 2.228 10.670 3.199 1.00 0.00 O ATOM 636 CB VAL A 39 2.887 13.847 4.133 1.00 0.00 C ATOM 637 CG1 VAL A 39 2.147 14.331 5.371 1.00 0.00 C ATOM 638 CG2 VAL A 39 4.022 14.799 3.780 1.00 0.00 C ATOM 0 H VAL A 39 4.405 12.510 2.492 1.00 0.00 H new ATOM 0 HA VAL A 39 3.823 12.333 5.350 1.00 0.00 H new ATOM 0 HB VAL A 39 2.185 13.830 3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.780 15.344 5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.305 13.669 5.574 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.825 14.327 6.225 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.623 15.804 3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.753 14.810 4.589 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.503 14.466 2.860 1.00 0.00 H new ATOM 648 N GLU A 40 1.340 11.428 5.120 1.00 0.00 N ATOM 649 CA GLU A 40 0.196 10.525 5.072 1.00 0.00 C ATOM 650 C GLU A 40 -1.026 11.221 4.479 1.00 0.00 C ATOM 651 O GLU A 40 -1.509 12.216 5.014 1.00 0.00 O ATOM 652 CB GLU A 40 -0.129 10.008 6.475 1.00 0.00 C ATOM 653 CG GLU A 40 -0.504 8.534 6.508 1.00 0.00 C ATOM 654 CD GLU A 40 -1.831 8.284 7.199 1.00 0.00 C ATOM 655 OE1 GLU A 40 -2.786 9.049 6.942 1.00 0.00 O ATOM 656 OE2 GLU A 40 -1.916 7.327 7.994 1.00 0.00 O ATOM 0 H GLU A 40 1.356 12.046 5.931 1.00 0.00 H new ATOM 0 HA GLU A 40 0.457 9.683 4.431 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.733 10.170 7.122 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.951 10.593 6.888 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.552 8.152 5.488 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.279 7.975 7.021 1.00 0.00 H new ATOM 663 N GLY A 41 -1.521 10.683 3.367 1.00 0.00 N ATOM 664 CA GLY A 41 -2.679 11.253 2.716 1.00 0.00 C ATOM 665 C GLY A 41 -3.784 10.239 2.503 1.00 0.00 C ATOM 666 O GLY A 41 -4.034 9.401 3.369 1.00 0.00 O ATOM 0 H GLY A 41 -1.136 9.858 2.907 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.059 12.079 3.317 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.382 11.669 1.753 1.00 0.00 H new ATOM 670 N VAL A 42 -4.441 10.304 1.348 1.00 0.00 N ATOM 671 CA VAL A 42 -5.513 9.367 1.036 1.00 0.00 C ATOM 672 C VAL A 42 -4.976 7.947 1.011 1.00 0.00 C ATOM 673 O VAL A 42 -3.776 7.736 0.868 1.00 0.00 O ATOM 674 CB VAL A 42 -6.177 9.694 -0.313 1.00 0.00 C ATOM 675 CG1 VAL A 42 -5.151 9.612 -1.432 1.00 0.00 C ATOM 676 CG2 VAL A 42 -7.345 8.753 -0.579 1.00 0.00 C ATOM 0 H VAL A 42 -4.251 10.991 0.618 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.269 9.459 1.816 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.568 10.711 -0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.630 9.845 -2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.350 10.327 -1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.736 8.605 -1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.801 9.001 -1.538 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.985 7.724 -0.603 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.086 8.860 0.213 1.00 0.00 H new ATOM 686 N TRP A 43 -5.864 6.978 1.169 1.00 0.00 N ATOM 687 CA TRP A 43 -5.460 5.582 1.183 1.00 0.00 C ATOM 688 C TRP A 43 -6.370 4.726 0.309 1.00 0.00 C ATOM 689 O TRP A 43 -7.588 4.894 0.307 1.00 0.00 O ATOM 690 CB TRP A 43 -5.469 5.063 2.620 1.00 0.00 C ATOM 691 CG TRP A 43 -4.180 5.303 3.346 1.00 0.00 C ATOM 692 CD1 TRP A 43 -3.824 6.424 4.037 1.00 0.00 C ATOM 693 CD2 TRP A 43 -3.079 4.398 3.454 1.00 0.00 C ATOM 694 NE1 TRP A 43 -2.566 6.271 4.566 1.00 0.00 N ATOM 695 CE2 TRP A 43 -2.087 5.033 4.221 1.00 0.00 C ATOM 696 CE3 TRP A 43 -2.839 3.110 2.974 1.00 0.00 C ATOM 697 CZ2 TRP A 43 -0.871 4.423 4.520 1.00 0.00 C ATOM 698 CZ3 TRP A 43 -1.631 2.503 3.270 1.00 0.00 C ATOM 699 CH2 TRP A 43 -0.661 3.161 4.035 1.00 0.00 C ATOM 0 H TRP A 43 -6.865 7.132 1.289 1.00 0.00 H new ATOM 0 HA TRP A 43 -4.452 5.514 0.774 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -6.281 5.543 3.167 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.679 3.993 2.611 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.441 7.303 4.151 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -2.069 6.965 5.124 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.582 2.596 2.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.122 4.927 5.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.434 1.506 2.905 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.273 2.662 4.247 1.00 0.00 H new ATOM 710 N THR A 44 -5.760 3.802 -0.427 1.00 0.00 N ATOM 711 CA THR A 44 -6.500 2.906 -1.309 1.00 0.00 C ATOM 712 C THR A 44 -5.718 1.615 -1.521 1.00 0.00 C ATOM 713 O THR A 44 -4.491 1.605 -1.438 1.00 0.00 O ATOM 714 CB THR A 44 -6.772 3.584 -2.654 1.00 0.00 C ATOM 715 OG1 THR A 44 -6.671 4.991 -2.538 1.00 0.00 O ATOM 716 CG2 THR A 44 -8.142 3.266 -3.216 1.00 0.00 C ATOM 0 H THR A 44 -4.751 3.654 -0.430 1.00 0.00 H new ATOM 0 HA THR A 44 -7.455 2.668 -0.841 1.00 0.00 H new ATOM 0 HB THR A 44 -6.016 3.191 -3.334 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.847 5.405 -3.409 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.272 3.777 -4.170 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.233 2.190 -3.366 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.909 3.601 -2.518 1.00 0.00 H new ATOM 724 N TYR A 45 -6.430 0.527 -1.790 1.00 0.00 N ATOM 725 CA TYR A 45 -5.783 -0.764 -2.003 1.00 0.00 C ATOM 726 C TYR A 45 -6.187 -1.373 -3.343 1.00 0.00 C ATOM 727 O TYR A 45 -7.284 -1.129 -3.846 1.00 0.00 O ATOM 728 CB TYR A 45 -6.130 -1.729 -0.867 1.00 0.00 C ATOM 729 CG TYR A 45 -5.510 -3.098 -1.027 1.00 0.00 C ATOM 730 CD1 TYR A 45 -4.132 -3.248 -1.131 1.00 0.00 C ATOM 731 CD2 TYR A 45 -6.300 -4.241 -1.075 1.00 0.00 C ATOM 732 CE1 TYR A 45 -3.560 -4.496 -1.280 1.00 0.00 C ATOM 733 CE2 TYR A 45 -5.734 -5.494 -1.222 1.00 0.00 C ATOM 734 CZ TYR A 45 -4.364 -5.614 -1.323 1.00 0.00 C ATOM 735 OH TYR A 45 -3.798 -6.861 -1.471 1.00 0.00 O ATOM 0 H TYR A 45 -7.447 0.511 -1.866 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.706 -0.597 -2.015 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.800 -1.298 0.078 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.213 -1.834 -0.809 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.498 -2.374 -1.095 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.373 -4.149 -0.996 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.488 -4.595 -1.362 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.361 -6.373 -1.257 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.503 -7.541 -1.481 1.00 0.00 H new ATOM 745 N LYS A 46 -5.288 -2.171 -3.907 1.00 0.00 N ATOM 746 CA LYS A 46 -5.537 -2.828 -5.183 1.00 0.00 C ATOM 747 C LYS A 46 -5.448 -4.344 -5.028 1.00 0.00 C ATOM 748 O LYS A 46 -4.393 -4.883 -4.685 1.00 0.00 O ATOM 749 CB LYS A 46 -4.531 -2.348 -6.233 1.00 0.00 C ATOM 750 CG LYS A 46 -5.181 -1.828 -7.503 1.00 0.00 C ATOM 751 CD LYS A 46 -5.161 -0.310 -7.562 1.00 0.00 C ATOM 752 CE LYS A 46 -5.032 0.194 -8.987 1.00 0.00 C ATOM 753 NZ LYS A 46 -5.599 1.562 -9.146 1.00 0.00 N ATOM 0 H LYS A 46 -4.377 -2.379 -3.498 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.543 -2.569 -5.514 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.915 -1.559 -5.801 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.863 -3.171 -6.487 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.660 -2.233 -8.371 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.211 -2.181 -7.556 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.075 0.084 -7.118 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.330 0.067 -6.966 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.981 0.201 -9.276 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.544 -0.492 -9.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.491 1.870 -10.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.608 1.551 -8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.094 2.222 -8.521 1.00 0.00 H new ATOM 767 N ASP A 47 -6.563 -5.025 -5.273 1.00 0.00 N ATOM 768 CA ASP A 47 -6.617 -6.478 -5.154 1.00 0.00 C ATOM 769 C ASP A 47 -6.346 -7.151 -6.495 1.00 0.00 C ATOM 770 O ASP A 47 -6.822 -8.257 -6.750 1.00 0.00 O ATOM 771 CB ASP A 47 -7.979 -6.916 -4.610 1.00 0.00 C ATOM 772 CG ASP A 47 -7.908 -7.349 -3.160 1.00 0.00 C ATOM 773 OD1 ASP A 47 -6.885 -7.946 -2.768 1.00 0.00 O ATOM 774 OD2 ASP A 47 -8.877 -7.090 -2.414 1.00 0.00 O ATOM 0 H ASP A 47 -7.443 -4.593 -5.556 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.839 -6.787 -4.456 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.688 -6.094 -4.707 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.361 -7.739 -5.214 1.00 0.00 H new ATOM 779 N GLU A 48 -5.576 -6.484 -7.346 1.00 0.00 N ATOM 780 CA GLU A 48 -5.243 -7.024 -8.657 1.00 0.00 C ATOM 781 C GLU A 48 -3.840 -7.627 -8.647 1.00 0.00 C ATOM 782 O GLU A 48 -3.560 -8.579 -9.381 1.00 0.00 O ATOM 783 CB GLU A 48 -5.338 -5.929 -9.724 1.00 0.00 C ATOM 784 CG GLU A 48 -6.509 -6.113 -10.679 1.00 0.00 C ATOM 785 CD GLU A 48 -7.792 -5.503 -10.149 1.00 0.00 C ATOM 786 OE1 GLU A 48 -8.392 -6.091 -9.224 1.00 0.00 O ATOM 787 OE2 GLU A 48 -8.197 -4.436 -10.659 1.00 0.00 O ATOM 0 H GLU A 48 -5.171 -5.568 -7.151 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.958 -7.811 -8.896 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.429 -4.960 -9.232 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.411 -5.910 -10.297 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.265 -5.660 -11.640 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.663 -7.177 -10.859 1.00 0.00 H new ATOM 794 N THR A 49 -2.970 -7.069 -7.815 1.00 0.00 N ATOM 795 CA THR A 49 -1.597 -7.548 -7.701 1.00 0.00 C ATOM 796 C THR A 49 -0.976 -7.109 -6.387 1.00 0.00 C ATOM 797 O THR A 49 0.239 -6.931 -6.295 1.00 0.00 O ATOM 798 CB THR A 49 -0.760 -7.038 -8.878 1.00 0.00 C ATOM 799 OG1 THR A 49 0.604 -7.380 -8.702 1.00 0.00 O ATOM 800 CG2 THR A 49 -0.834 -5.536 -9.052 1.00 0.00 C ATOM 0 H THR A 49 -3.191 -6.281 -7.207 1.00 0.00 H new ATOM 0 HA THR A 49 -1.613 -8.638 -7.723 1.00 0.00 H new ATOM 0 HB THR A 49 -1.179 -7.514 -9.765 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.922 -7.026 -7.846 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.220 -5.237 -9.902 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.868 -5.241 -9.230 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.467 -5.047 -8.150 1.00 0.00 H new ATOM 808 N LYS A 50 -1.814 -6.933 -5.370 1.00 0.00 N ATOM 809 CA LYS A 50 -1.344 -6.515 -4.053 1.00 0.00 C ATOM 810 C LYS A 50 -0.563 -5.205 -4.146 1.00 0.00 C ATOM 811 O LYS A 50 0.669 -5.205 -4.141 1.00 0.00 O ATOM 812 CB LYS A 50 -0.463 -7.603 -3.435 1.00 0.00 C ATOM 813 CG LYS A 50 -1.242 -8.632 -2.637 1.00 0.00 C ATOM 814 CD LYS A 50 -0.354 -9.789 -2.206 1.00 0.00 C ATOM 815 CE LYS A 50 -1.081 -10.726 -1.255 1.00 0.00 C ATOM 816 NZ LYS A 50 -0.178 -11.247 -0.191 1.00 0.00 N ATOM 0 H LYS A 50 -2.822 -7.073 -5.432 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.214 -6.356 -3.416 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.085 -8.110 -4.229 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.277 -7.135 -2.785 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.678 -8.158 -1.757 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.069 -9.010 -3.238 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.026 -10.344 -3.085 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.542 -9.400 -1.721 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.918 -10.200 -0.796 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.500 -11.561 -1.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.726 -11.828 0.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.569 -11.828 -0.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.254 -10.450 0.318 1.00 0.00 H new ATOM 830 N THR A 51 -1.286 -4.095 -4.231 1.00 0.00 N ATOM 831 CA THR A 51 -0.652 -2.783 -4.328 1.00 0.00 C ATOM 832 C THR A 51 -1.464 -1.719 -3.595 1.00 0.00 C ATOM 833 O THR A 51 -2.669 -1.588 -3.804 1.00 0.00 O ATOM 834 CB THR A 51 -0.478 -2.389 -5.794 1.00 0.00 C ATOM 835 OG1 THR A 51 0.291 -3.354 -6.487 1.00 0.00 O ATOM 836 CG2 THR A 51 0.198 -1.046 -5.979 1.00 0.00 C ATOM 0 H THR A 51 -2.306 -4.075 -4.235 1.00 0.00 H new ATOM 0 HA THR A 51 0.327 -2.848 -3.854 1.00 0.00 H new ATOM 0 HB THR A 51 -1.489 -2.328 -6.196 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.389 -3.083 -7.424 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.290 -0.828 -7.043 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.398 -0.269 -5.500 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.190 -1.073 -5.527 1.00 0.00 H new ATOM 844 N PHE A 52 -0.788 -0.954 -2.741 1.00 0.00 N ATOM 845 CA PHE A 52 -1.435 0.106 -1.981 1.00 0.00 C ATOM 846 C PHE A 52 -1.276 1.451 -2.687 1.00 0.00 C ATOM 847 O PHE A 52 -0.300 1.669 -3.407 1.00 0.00 O ATOM 848 CB PHE A 52 -0.845 0.187 -0.571 1.00 0.00 C ATOM 849 CG PHE A 52 -1.381 -0.857 0.364 1.00 0.00 C ATOM 850 CD1 PHE A 52 -1.043 -2.191 0.205 1.00 0.00 C ATOM 851 CD2 PHE A 52 -2.220 -0.502 1.409 1.00 0.00 C ATOM 852 CE1 PHE A 52 -1.533 -3.151 1.070 1.00 0.00 C ATOM 853 CE2 PHE A 52 -2.713 -1.458 2.274 1.00 0.00 C ATOM 854 CZ PHE A 52 -2.370 -2.785 2.105 1.00 0.00 C ATOM 0 H PHE A 52 0.211 -1.051 -2.559 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.497 -0.128 -1.909 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.239 0.086 -0.633 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.050 1.174 -0.156 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.390 -2.484 -0.604 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.491 0.534 1.548 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.261 -4.188 0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.367 -1.168 3.083 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.755 -3.534 2.781 1.00 0.00 H new ATOM 864 N THR A 53 -2.236 2.344 -2.480 1.00 0.00 N ATOM 865 CA THR A 53 -2.196 3.664 -3.104 1.00 0.00 C ATOM 866 C THR A 53 -2.519 4.760 -2.093 1.00 0.00 C ATOM 867 O THR A 53 -3.619 4.812 -1.546 1.00 0.00 O ATOM 868 CB THR A 53 -3.181 3.728 -4.274 1.00 0.00 C ATOM 869 OG1 THR A 53 -3.061 2.579 -5.093 1.00 0.00 O ATOM 870 CG2 THR A 53 -2.983 4.944 -5.153 1.00 0.00 C ATOM 0 H THR A 53 -3.050 2.181 -1.887 1.00 0.00 H new ATOM 0 HA THR A 53 -1.185 3.828 -3.477 1.00 0.00 H new ATOM 0 HB THR A 53 -4.170 3.785 -3.819 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.699 2.637 -5.834 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.712 4.930 -5.963 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.118 5.848 -4.559 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.976 4.931 -5.571 1.00 0.00 H new ATOM 878 N VAL A 54 -1.548 5.637 -1.856 1.00 0.00 N ATOM 879 CA VAL A 54 -1.722 6.740 -0.918 1.00 0.00 C ATOM 880 C VAL A 54 -1.108 8.021 -1.478 1.00 0.00 C ATOM 881 O VAL A 54 -0.027 7.990 -2.057 1.00 0.00 O ATOM 882 CB VAL A 54 -1.071 6.425 0.449 1.00 0.00 C ATOM 883 CG1 VAL A 54 0.377 6.007 0.259 1.00 0.00 C ATOM 884 CG2 VAL A 54 -1.173 7.615 1.400 1.00 0.00 C ATOM 0 H VAL A 54 -0.631 5.605 -2.302 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.794 6.878 -0.775 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.616 5.596 0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.823 5.788 1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.419 5.117 -0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.929 6.815 -0.220 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.706 7.361 2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.664 8.474 0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.222 7.860 1.565 1.00 0.00 H new ATOM 894 N THR A 55 -1.799 9.140 -1.308 1.00 0.00 N ATOM 895 CA THR A 55 -1.294 10.416 -1.808 1.00 0.00 C ATOM 896 C THR A 55 -1.599 11.542 -0.825 1.00 0.00 C ATOM 897 O THR A 55 -2.742 11.723 -0.407 1.00 0.00 O ATOM 898 CB THR A 55 -1.889 10.736 -3.188 1.00 0.00 C ATOM 899 OG1 THR A 55 -2.758 11.852 -3.125 1.00 0.00 O ATOM 900 CG2 THR A 55 -2.666 9.590 -3.799 1.00 0.00 C ATOM 0 H THR A 55 -2.700 9.193 -0.834 1.00 0.00 H new ATOM 0 HA THR A 55 -0.212 10.332 -1.911 1.00 0.00 H new ATOM 0 HB THR A 55 -1.024 10.943 -3.818 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.121 12.035 -4.017 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.055 9.892 -4.772 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.008 8.729 -3.922 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.495 9.322 -3.144 1.00 0.00 H new ATOM 908 N GLU A 56 -0.569 12.301 -0.464 1.00 0.00 N ATOM 909 CA GLU A 56 -0.724 13.408 0.464 1.00 0.00 C ATOM 910 C GLU A 56 -0.524 14.744 -0.244 1.00 0.00 C ATOM 911 O GLU A 56 -0.426 15.777 0.456 1.00 0.00 O ATOM 912 CB GLU A 56 0.265 13.284 1.622 1.00 0.00 C ATOM 913 CG GLU A 56 -0.263 13.808 2.944 1.00 0.00 C ATOM 914 CD GLU A 56 0.010 15.288 3.134 1.00 0.00 C ATOM 915 OE1 GLU A 56 0.974 15.796 2.522 1.00 0.00 O ATOM 916 OE2 GLU A 56 -0.738 15.937 3.894 1.00 0.00 O ATOM 917 OXT GLU A 56 -0.470 14.749 -1.491 1.00 0.00 O ATOM 0 H GLU A 56 0.383 12.166 -0.803 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.739 13.370 0.860 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.539 12.236 1.742 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.177 13.824 1.367 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.337 13.630 2.999 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.194 13.250 3.761 1.00 0.00 H new TER 924 GLU A 56