USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 472 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 Single : A 1 THR N :NH3+ 133:sc= 0.423 (180deg=0.0253) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.195 USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.164 USER MOD Single : A 3 TYR OH : 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= -1.65 X(o=-1.7,f=-1.4) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0.484 K(o=0.48,f=-2.8!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 56:sc= -1.38! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.0252 X(o=-0.025,f=-0.18) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc=0.000126 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -135:sc= 0.42 (180deg=-0.649) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 4.897 13.326 -17.087 1.00 0.00 N ATOM 2 CA THR A 1 3.812 13.290 -18.103 1.00 0.00 C ATOM 3 C THR A 1 3.301 14.694 -18.412 1.00 0.00 C ATOM 4 O THR A 1 3.480 15.619 -17.621 1.00 0.00 O ATOM 5 CB THR A 1 2.675 12.418 -17.571 1.00 0.00 C ATOM 6 OG1 THR A 1 3.172 11.432 -16.682 1.00 0.00 O ATOM 7 CG2 THR A 1 1.905 11.705 -18.662 1.00 0.00 C ATOM 0 H1 THR A 1 4.715 12.606 -16.359 1.00 0.00 H new ATOM 0 H2 THR A 1 5.809 13.131 -17.546 1.00 0.00 H new ATOM 0 H3 THR A 1 4.927 14.267 -16.644 1.00 0.00 H new ATOM 0 HA THR A 1 4.203 12.872 -19.031 1.00 0.00 H new ATOM 0 HB THR A 1 1.999 13.105 -17.062 1.00 0.00 H new ATOM 0 HG1 THR A 1 2.429 10.885 -16.351 1.00 0.00 H new ATOM 0 HG21 THR A 1 1.113 11.104 -18.215 1.00 0.00 H new ATOM 0 HG22 THR A 1 1.466 12.440 -19.337 1.00 0.00 H new ATOM 0 HG23 THR A 1 2.581 11.057 -19.220 1.00 0.00 H new ATOM 17 N THR A 2 2.664 14.845 -19.569 1.00 0.00 N ATOM 18 CA THR A 2 2.127 16.137 -19.983 1.00 0.00 C ATOM 19 C THR A 2 3.238 17.176 -20.097 1.00 0.00 C ATOM 20 O THR A 2 4.408 16.878 -19.856 1.00 0.00 O ATOM 21 CB THR A 2 1.067 16.614 -18.989 1.00 0.00 C ATOM 22 OG1 THR A 2 0.518 15.520 -18.277 1.00 0.00 O ATOM 23 CG2 THR A 2 -0.079 17.354 -19.645 1.00 0.00 C ATOM 0 H THR A 2 2.507 14.090 -20.236 1.00 0.00 H new ATOM 0 HA THR A 2 1.667 16.014 -20.963 1.00 0.00 H new ATOM 0 HB THR A 2 1.587 17.300 -18.320 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.157 15.846 -17.645 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.795 17.664 -18.884 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.304 18.233 -20.163 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.573 16.698 -20.362 1.00 0.00 H new ATOM 31 N TYR A 3 2.863 18.397 -20.465 1.00 0.00 N ATOM 32 CA TYR A 3 3.828 19.481 -20.611 1.00 0.00 C ATOM 33 C TYR A 3 4.552 19.745 -19.294 1.00 0.00 C ATOM 34 O TYR A 3 5.773 19.612 -19.207 1.00 0.00 O ATOM 35 CB TYR A 3 3.127 20.755 -21.089 1.00 0.00 C ATOM 36 CG TYR A 3 3.380 21.074 -22.546 1.00 0.00 C ATOM 37 CD1 TYR A 3 2.697 20.401 -23.552 1.00 0.00 C ATOM 38 CD2 TYR A 3 4.302 22.045 -22.915 1.00 0.00 C ATOM 39 CE1 TYR A 3 2.926 20.688 -24.884 1.00 0.00 C ATOM 40 CE2 TYR A 3 4.536 22.339 -24.245 1.00 0.00 C ATOM 41 CZ TYR A 3 3.846 21.658 -25.226 1.00 0.00 C ATOM 42 OH TYR A 3 4.077 21.947 -26.550 1.00 0.00 O ATOM 0 H TYR A 3 1.899 18.660 -20.667 1.00 0.00 H new ATOM 0 HA TYR A 3 4.566 19.181 -21.355 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.054 20.651 -20.929 1.00 0.00 H new ATOM 0 HB3 TYR A 3 3.460 21.594 -20.479 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.976 19.642 -23.288 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.845 22.579 -22.150 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.387 20.156 -25.654 1.00 0.00 H new ATOM 0 HE2 TYR A 3 5.255 23.098 -24.515 1.00 0.00 H new ATOM 0 HH TYR A 3 4.752 22.654 -26.618 1.00 0.00 H new ATOM 52 N LYS A 4 3.790 20.118 -18.271 1.00 0.00 N ATOM 53 CA LYS A 4 4.360 20.398 -16.958 1.00 0.00 C ATOM 54 C LYS A 4 4.370 19.144 -16.089 1.00 0.00 C ATOM 55 O LYS A 4 3.791 18.121 -16.456 1.00 0.00 O ATOM 56 CB LYS A 4 3.568 21.507 -16.261 1.00 0.00 C ATOM 57 CG LYS A 4 2.111 21.148 -16.010 1.00 0.00 C ATOM 58 CD LYS A 4 1.186 21.851 -16.991 1.00 0.00 C ATOM 59 CE LYS A 4 -0.234 21.320 -16.894 1.00 0.00 C ATOM 60 NZ LYS A 4 -1.103 21.855 -17.979 1.00 0.00 N ATOM 0 H LYS A 4 2.778 20.233 -18.326 1.00 0.00 H new ATOM 0 HA LYS A 4 5.389 20.728 -17.100 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.045 21.740 -15.309 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.612 22.411 -16.869 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.981 20.069 -16.095 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.838 21.422 -14.991 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.189 22.923 -16.792 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.558 21.714 -18.006 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.219 20.231 -16.945 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.656 21.588 -15.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.063 21.469 -17.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.139 22.892 -17.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.715 21.578 -18.903 1.00 0.00 H new ATOM 74 N LEU A 5 5.028 19.231 -14.939 1.00 0.00 N ATOM 75 CA LEU A 5 5.111 18.102 -14.020 1.00 0.00 C ATOM 76 C LEU A 5 4.096 18.253 -12.887 1.00 0.00 C ATOM 77 O LEU A 5 4.152 19.204 -12.108 1.00 0.00 O ATOM 78 CB LEU A 5 6.546 17.968 -13.480 1.00 0.00 C ATOM 79 CG LEU A 5 6.791 18.500 -12.065 1.00 0.00 C ATOM 80 CD1 LEU A 5 6.228 17.534 -11.033 1.00 0.00 C ATOM 81 CD2 LEU A 5 8.278 18.725 -11.832 1.00 0.00 C ATOM 0 H LEU A 5 5.512 20.071 -14.621 1.00 0.00 H new ATOM 0 HA LEU A 5 4.865 17.186 -14.558 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.823 16.914 -13.502 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.218 18.488 -14.162 1.00 0.00 H new ATOM 0 HG LEU A 5 6.279 19.456 -11.959 1.00 0.00 H new ATOM 0 HD11 LEU A 5 6.409 17.925 -10.032 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.155 17.419 -11.189 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.716 16.565 -11.138 1.00 0.00 H new ATOM 0 HD21 LEU A 5 8.435 19.103 -10.822 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.812 17.783 -11.954 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.654 19.451 -12.553 1.00 0.00 H new ATOM 93 N ILE A 6 3.164 17.310 -12.809 1.00 0.00 N ATOM 94 CA ILE A 6 2.135 17.333 -11.785 1.00 0.00 C ATOM 95 C ILE A 6 2.579 16.579 -10.535 1.00 0.00 C ATOM 96 O ILE A 6 3.174 15.505 -10.625 1.00 0.00 O ATOM 97 CB ILE A 6 0.821 16.720 -12.309 1.00 0.00 C ATOM 98 CG1 ILE A 6 -0.302 16.950 -11.306 1.00 0.00 C ATOM 99 CG2 ILE A 6 0.996 15.233 -12.592 1.00 0.00 C ATOM 100 CD1 ILE A 6 -0.553 18.413 -11.019 1.00 0.00 C ATOM 0 H ILE A 6 3.103 16.517 -13.448 1.00 0.00 H new ATOM 0 HA ILE A 6 1.965 18.378 -11.525 1.00 0.00 H new ATOM 0 HB ILE A 6 0.556 17.212 -13.245 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.218 16.498 -11.686 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.058 16.440 -10.374 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.057 14.820 -12.961 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.773 15.095 -13.343 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.283 14.719 -11.674 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.364 18.508 -10.297 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.351 18.864 -10.610 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.827 18.923 -11.942 1.00 0.00 H new ATOM 112 N LEU A 7 2.285 17.148 -9.370 1.00 0.00 N ATOM 113 CA LEU A 7 2.652 16.529 -8.102 1.00 0.00 C ATOM 114 C LEU A 7 1.420 16.306 -7.230 1.00 0.00 C ATOM 115 O LEU A 7 0.705 17.251 -6.896 1.00 0.00 O ATOM 116 CB LEU A 7 3.668 17.401 -7.362 1.00 0.00 C ATOM 117 CG LEU A 7 3.229 18.845 -7.129 1.00 0.00 C ATOM 118 CD1 LEU A 7 3.616 19.297 -5.734 1.00 0.00 C ATOM 119 CD2 LEU A 7 3.838 19.766 -8.177 1.00 0.00 C ATOM 0 H LEU A 7 1.793 18.037 -9.278 1.00 0.00 H new ATOM 0 HA LEU A 7 3.103 15.560 -8.314 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.884 16.942 -6.397 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.600 17.407 -7.928 1.00 0.00 H new ATOM 0 HG LEU A 7 2.144 18.894 -7.220 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.296 20.328 -5.584 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.133 18.656 -4.997 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.698 19.232 -5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.513 20.790 -7.994 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.925 19.714 -8.119 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.512 19.454 -9.169 1.00 0.00 H new ATOM 131 N ASN A 8 1.177 15.051 -6.864 1.00 0.00 N ATOM 132 CA ASN A 8 0.030 14.708 -6.032 1.00 0.00 C ATOM 133 C ASN A 8 0.162 13.302 -5.467 1.00 0.00 C ATOM 134 O ASN A 8 0.782 12.425 -6.068 1.00 0.00 O ATOM 135 CB ASN A 8 -1.267 14.822 -6.833 1.00 0.00 C ATOM 136 CG ASN A 8 -1.835 16.228 -6.813 1.00 0.00 C ATOM 137 OD1 ASN A 8 -2.294 16.709 -5.777 1.00 0.00 O ATOM 138 ND2 ASN A 8 -1.810 16.893 -7.962 1.00 0.00 N ATOM 0 H ASN A 8 1.758 14.256 -7.130 1.00 0.00 H new ATOM 0 HA ASN A 8 0.001 15.414 -5.202 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.082 14.522 -7.864 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.004 14.129 -6.427 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.181 17.842 -8.010 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.420 16.455 -8.796 1.00 0.00 H new ATOM 145 N LEU A 9 -0.436 13.107 -4.303 1.00 0.00 N ATOM 146 CA LEU A 9 -0.411 11.820 -3.623 1.00 0.00 C ATOM 147 C LEU A 9 -1.033 10.729 -4.490 1.00 0.00 C ATOM 148 O LEU A 9 -0.651 9.564 -4.401 1.00 0.00 O ATOM 149 CB LEU A 9 -1.148 11.922 -2.289 1.00 0.00 C ATOM 150 CG LEU A 9 -2.608 12.364 -2.387 1.00 0.00 C ATOM 151 CD1 LEU A 9 -3.416 11.743 -1.266 1.00 0.00 C ATOM 152 CD2 LEU A 9 -2.715 13.882 -2.341 1.00 0.00 C ATOM 0 H LEU A 9 -0.951 13.832 -3.804 1.00 0.00 H new ATOM 0 HA LEU A 9 0.629 11.550 -3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.111 10.951 -1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.614 12.625 -1.649 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.010 12.023 -3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.455 12.064 -1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.366 10.657 -1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.010 12.061 -0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.762 14.175 -2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.299 14.248 -1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.161 14.311 -3.176 1.00 0.00 H new ATOM 164 N LYS A 10 -2.003 11.119 -5.320 1.00 0.00 N ATOM 165 CA LYS A 10 -2.702 10.190 -6.210 1.00 0.00 C ATOM 166 C LYS A 10 -1.774 9.098 -6.744 1.00 0.00 C ATOM 167 O LYS A 10 -2.082 7.913 -6.644 1.00 0.00 O ATOM 168 CB LYS A 10 -3.325 10.954 -7.380 1.00 0.00 C ATOM 169 CG LYS A 10 -4.742 11.431 -7.110 1.00 0.00 C ATOM 170 CD LYS A 10 -4.757 12.843 -6.547 1.00 0.00 C ATOM 171 CE LYS A 10 -5.110 13.866 -7.614 1.00 0.00 C ATOM 172 NZ LYS A 10 -6.552 14.234 -7.577 1.00 0.00 N ATOM 0 H LYS A 10 -2.325 12.084 -5.394 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.484 9.705 -5.626 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.699 11.815 -7.615 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.328 10.313 -8.261 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.319 11.400 -8.034 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.228 10.753 -6.408 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.478 12.903 -5.732 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.780 13.078 -6.126 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.504 14.761 -7.473 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.863 13.465 -8.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.751 14.934 -8.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.131 13.385 -7.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.783 14.641 -6.648 1.00 0.00 H new ATOM 186 N GLN A 11 -0.636 9.499 -7.305 1.00 0.00 N ATOM 187 CA GLN A 11 0.327 8.538 -7.848 1.00 0.00 C ATOM 188 C GLN A 11 0.539 7.376 -6.879 1.00 0.00 C ATOM 189 O GLN A 11 0.670 6.221 -7.290 1.00 0.00 O ATOM 190 CB GLN A 11 1.661 9.225 -8.144 1.00 0.00 C ATOM 191 CG GLN A 11 2.111 10.185 -7.054 1.00 0.00 C ATOM 192 CD GLN A 11 3.532 9.921 -6.594 1.00 0.00 C ATOM 193 OE1 GLN A 11 3.792 9.769 -5.401 1.00 0.00 O ATOM 194 NE2 GLN A 11 4.460 9.863 -7.542 1.00 0.00 N ATOM 0 H GLN A 11 -0.357 10.476 -7.396 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.079 8.142 -8.779 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.428 8.463 -8.284 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.578 9.770 -9.084 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.037 11.208 -7.423 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.436 10.103 -6.202 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.200 9.995 -8.519 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.433 9.686 -7.293 1.00 0.00 H new ATOM 203 N ALA A 12 0.556 7.692 -5.589 1.00 0.00 N ATOM 204 CA ALA A 12 0.736 6.684 -4.555 1.00 0.00 C ATOM 205 C ALA A 12 -0.579 5.965 -4.267 1.00 0.00 C ATOM 206 O ALA A 12 -0.593 4.778 -3.944 1.00 0.00 O ATOM 207 CB ALA A 12 1.281 7.321 -3.287 1.00 0.00 C ATOM 0 H ALA A 12 0.447 8.642 -5.235 1.00 0.00 H new ATOM 0 HA ALA A 12 1.456 5.948 -4.914 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.411 6.555 -2.522 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.242 7.789 -3.499 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.581 8.076 -2.929 1.00 0.00 H new ATOM 213 N LYS A 13 -1.687 6.687 -4.401 1.00 0.00 N ATOM 214 CA LYS A 13 -3.000 6.110 -4.167 1.00 0.00 C ATOM 215 C LYS A 13 -3.220 4.940 -5.124 1.00 0.00 C ATOM 216 O LYS A 13 -3.810 3.922 -4.760 1.00 0.00 O ATOM 217 CB LYS A 13 -4.090 7.186 -4.317 1.00 0.00 C ATOM 218 CG LYS A 13 -5.289 6.766 -5.157 1.00 0.00 C ATOM 219 CD LYS A 13 -4.974 6.831 -6.643 1.00 0.00 C ATOM 220 CE LYS A 13 -5.754 7.939 -7.336 1.00 0.00 C ATOM 221 NZ LYS A 13 -6.756 7.397 -8.295 1.00 0.00 N ATOM 0 H LYS A 13 -1.699 7.671 -4.670 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.059 5.729 -3.147 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.441 7.469 -3.325 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.645 8.075 -4.763 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.585 5.751 -4.890 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.136 7.414 -4.934 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.906 6.997 -6.782 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.211 5.874 -7.107 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.260 8.549 -6.588 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.062 8.594 -7.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.266 8.183 -8.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.271 6.836 -9.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.432 6.793 -7.786 1.00 0.00 H new ATOM 235 N GLU A 14 -2.716 5.092 -6.347 1.00 0.00 N ATOM 236 CA GLU A 14 -2.830 4.052 -7.358 1.00 0.00 C ATOM 237 C GLU A 14 -1.813 2.952 -7.078 1.00 0.00 C ATOM 238 O GLU A 14 -2.060 1.776 -7.345 1.00 0.00 O ATOM 239 CB GLU A 14 -2.614 4.648 -8.758 1.00 0.00 C ATOM 240 CG GLU A 14 -2.364 3.620 -9.858 1.00 0.00 C ATOM 241 CD GLU A 14 -1.814 4.249 -11.124 1.00 0.00 C ATOM 242 OE1 GLU A 14 -2.464 5.171 -11.660 1.00 0.00 O ATOM 243 OE2 GLU A 14 -0.733 3.820 -11.578 1.00 0.00 O ATOM 0 H GLU A 14 -2.224 5.929 -6.659 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.831 3.622 -7.321 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.490 5.240 -9.025 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.766 5.332 -8.720 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.664 2.867 -9.496 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.296 3.104 -10.088 1.00 0.00 H new ATOM 250 N GLU A 15 -0.669 3.348 -6.521 1.00 0.00 N ATOM 251 CA GLU A 15 0.390 2.404 -6.181 1.00 0.00 C ATOM 252 C GLU A 15 -0.169 1.256 -5.344 1.00 0.00 C ATOM 253 O GLU A 15 0.070 0.082 -5.635 1.00 0.00 O ATOM 254 CB GLU A 15 1.495 3.123 -5.405 1.00 0.00 C ATOM 255 CG GLU A 15 2.687 3.509 -6.259 1.00 0.00 C ATOM 256 CD GLU A 15 3.329 2.318 -6.941 1.00 0.00 C ATOM 257 OE1 GLU A 15 3.278 1.208 -6.368 1.00 0.00 O ATOM 258 OE2 GLU A 15 3.882 2.491 -8.047 1.00 0.00 O ATOM 0 H GLU A 15 -0.454 4.319 -6.296 1.00 0.00 H new ATOM 0 HA GLU A 15 0.804 1.995 -7.102 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.080 4.022 -4.948 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.834 2.480 -4.593 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.370 4.227 -7.015 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.429 4.009 -5.636 1.00 0.00 H new ATOM 265 N ALA A 16 -0.920 1.611 -4.307 1.00 0.00 N ATOM 266 CA ALA A 16 -1.524 0.623 -3.425 1.00 0.00 C ATOM 267 C ALA A 16 -2.692 -0.076 -4.107 1.00 0.00 C ATOM 268 O ALA A 16 -2.826 -1.295 -4.030 1.00 0.00 O ATOM 269 CB ALA A 16 -1.982 1.282 -2.134 1.00 0.00 C ATOM 0 H ALA A 16 -1.124 2.579 -4.057 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.771 -0.129 -3.189 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.432 0.533 -1.483 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.126 1.732 -1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.717 2.054 -2.361 1.00 0.00 H new ATOM 275 N ILE A 17 -3.535 0.703 -4.781 1.00 0.00 N ATOM 276 CA ILE A 17 -4.690 0.149 -5.482 1.00 0.00 C ATOM 277 C ILE A 17 -4.253 -0.951 -6.449 1.00 0.00 C ATOM 278 O ILE A 17 -4.876 -2.009 -6.522 1.00 0.00 O ATOM 279 CB ILE A 17 -5.465 1.257 -6.242 1.00 0.00 C ATOM 280 CG1 ILE A 17 -6.520 1.883 -5.328 1.00 0.00 C ATOM 281 CG2 ILE A 17 -6.118 0.722 -7.516 1.00 0.00 C ATOM 282 CD1 ILE A 17 -7.627 0.927 -4.937 1.00 0.00 C ATOM 0 H ILE A 17 -3.440 1.716 -4.856 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.358 -0.284 -4.738 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.746 2.021 -6.538 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.034 2.252 -4.425 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.957 2.746 -5.830 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.651 1.529 -8.019 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.350 0.326 -8.180 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.820 -0.071 -7.259 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.338 1.439 -4.289 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.139 0.577 -5.833 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.202 0.075 -4.407 1.00 0.00 H new ATOM 294 N LYS A 18 -3.173 -0.695 -7.181 1.00 0.00 N ATOM 295 CA LYS A 18 -2.652 -1.668 -8.134 1.00 0.00 C ATOM 296 C LYS A 18 -2.183 -2.930 -7.413 1.00 0.00 C ATOM 297 O LYS A 18 -2.519 -4.046 -7.810 1.00 0.00 O ATOM 298 CB LYS A 18 -1.497 -1.064 -8.933 1.00 0.00 C ATOM 299 CG LYS A 18 -1.941 -0.361 -10.206 1.00 0.00 C ATOM 300 CD LYS A 18 -0.829 -0.330 -11.242 1.00 0.00 C ATOM 301 CE LYS A 18 0.380 0.438 -10.737 1.00 0.00 C ATOM 302 NZ LYS A 18 1.630 0.031 -11.438 1.00 0.00 N ATOM 0 H LYS A 18 -2.643 0.175 -7.133 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.455 -1.937 -8.820 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.962 -0.353 -8.303 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.792 -1.854 -9.191 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.811 -0.871 -10.620 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.250 0.658 -9.972 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.535 -1.349 -11.493 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.197 0.130 -12.159 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.216 1.506 -10.878 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.494 0.272 -9.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.432 0.578 -11.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.801 -0.983 -11.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.532 0.213 -12.457 1.00 0.00 H new ATOM 316 N GLU A 19 -1.404 -2.742 -6.351 1.00 0.00 N ATOM 317 CA GLU A 19 -0.887 -3.858 -5.569 1.00 0.00 C ATOM 318 C GLU A 19 -2.012 -4.585 -4.839 1.00 0.00 C ATOM 319 O GLU A 19 -1.981 -5.806 -4.685 1.00 0.00 O ATOM 320 CB GLU A 19 0.137 -3.347 -4.557 1.00 0.00 C ATOM 321 CG GLU A 19 1.195 -2.443 -5.169 1.00 0.00 C ATOM 322 CD GLU A 19 2.463 -3.189 -5.539 1.00 0.00 C ATOM 323 OE1 GLU A 19 2.549 -4.400 -5.243 1.00 0.00 O ATOM 324 OE2 GLU A 19 3.370 -2.563 -6.126 1.00 0.00 O ATOM 0 H GLU A 19 -1.117 -1.824 -6.013 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.411 -4.562 -6.251 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.383 -2.802 -3.769 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.627 -4.199 -4.086 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.787 -1.965 -6.060 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.439 -1.648 -4.464 1.00 0.00 H new ATOM 331 N LEU A 20 -2.996 -3.820 -4.382 1.00 0.00 N ATOM 332 CA LEU A 20 -4.129 -4.377 -3.653 1.00 0.00 C ATOM 333 C LEU A 20 -4.984 -5.273 -4.546 1.00 0.00 C ATOM 334 O LEU A 20 -5.382 -6.365 -4.145 1.00 0.00 O ATOM 335 CB LEU A 20 -4.987 -3.243 -3.079 1.00 0.00 C ATOM 336 CG LEU A 20 -4.803 -2.980 -1.584 1.00 0.00 C ATOM 337 CD1 LEU A 20 -3.481 -2.295 -1.313 1.00 0.00 C ATOM 338 CD2 LEU A 20 -5.958 -2.153 -1.042 1.00 0.00 C ATOM 0 H LEU A 20 -3.032 -2.808 -4.504 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.737 -4.989 -2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.760 -2.326 -3.623 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.036 -3.473 -3.265 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.795 -3.941 -1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.375 -2.119 -0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.665 -2.929 -1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.450 -1.342 -1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.810 -1.976 0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.000 -1.198 -1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.894 -2.691 -1.194 1.00 0.00 H new ATOM 350 N VAL A 21 -5.269 -4.805 -5.753 1.00 0.00 N ATOM 351 CA VAL A 21 -6.084 -5.566 -6.693 1.00 0.00 C ATOM 352 C VAL A 21 -5.354 -6.816 -7.178 1.00 0.00 C ATOM 353 O VAL A 21 -5.978 -7.828 -7.497 1.00 0.00 O ATOM 354 CB VAL A 21 -6.482 -4.712 -7.912 1.00 0.00 C ATOM 355 CG1 VAL A 21 -7.483 -5.456 -8.780 1.00 0.00 C ATOM 356 CG2 VAL A 21 -7.046 -3.369 -7.470 1.00 0.00 C ATOM 0 H VAL A 21 -4.949 -3.903 -6.105 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.985 -5.864 -6.156 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.587 -4.524 -8.505 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.753 -4.838 -9.636 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.039 -6.388 -9.131 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.377 -5.677 -8.197 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.320 -2.783 -8.347 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.929 -3.531 -6.851 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.293 -2.830 -6.894 1.00 0.00 H new ATOM 366 N ASP A 22 -4.031 -6.730 -7.246 1.00 0.00 N ATOM 367 CA ASP A 22 -3.207 -7.843 -7.710 1.00 0.00 C ATOM 368 C ASP A 22 -3.115 -8.967 -6.677 1.00 0.00 C ATOM 369 O ASP A 22 -2.850 -10.115 -7.031 1.00 0.00 O ATOM 370 CB ASP A 22 -1.803 -7.346 -8.057 1.00 0.00 C ATOM 371 CG ASP A 22 -1.176 -8.132 -9.191 1.00 0.00 C ATOM 372 OD1 ASP A 22 -1.699 -8.060 -10.324 1.00 0.00 O ATOM 373 OD2 ASP A 22 -0.161 -8.819 -8.949 1.00 0.00 O ATOM 0 H ASP A 22 -3.502 -5.898 -6.985 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.687 -8.252 -8.599 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.851 -6.292 -8.332 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.167 -7.416 -7.175 1.00 0.00 H new ATOM 378 N ALA A 23 -3.314 -8.639 -5.403 1.00 0.00 N ATOM 379 CA ALA A 23 -3.224 -9.649 -4.345 1.00 0.00 C ATOM 380 C ALA A 23 -4.288 -9.456 -3.268 1.00 0.00 C ATOM 381 O ALA A 23 -4.654 -8.330 -2.939 1.00 0.00 O ATOM 382 CB ALA A 23 -1.836 -9.622 -3.714 1.00 0.00 C ATOM 0 H ALA A 23 -3.535 -7.698 -5.078 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.401 -10.620 -4.808 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.779 -10.376 -2.929 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.086 -9.834 -4.476 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.650 -8.637 -3.286 1.00 0.00 H new ATOM 388 N GLY A 24 -4.768 -10.569 -2.705 1.00 0.00 N ATOM 389 CA GLY A 24 -5.770 -10.500 -1.653 1.00 0.00 C ATOM 390 C GLY A 24 -5.391 -9.494 -0.586 1.00 0.00 C ATOM 391 O GLY A 24 -4.379 -9.655 0.096 1.00 0.00 O ATOM 0 H GLY A 24 -4.480 -11.514 -2.960 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.733 -10.228 -2.085 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.891 -11.484 -1.200 1.00 0.00 H new ATOM 395 N THR A 25 -6.177 -8.432 -0.472 1.00 0.00 N ATOM 396 CA THR A 25 -5.889 -7.373 0.480 1.00 0.00 C ATOM 397 C THR A 25 -7.143 -6.880 1.197 1.00 0.00 C ATOM 398 O THR A 25 -8.161 -7.573 1.251 1.00 0.00 O ATOM 399 CB THR A 25 -5.270 -6.214 -0.284 1.00 0.00 C ATOM 400 OG1 THR A 25 -4.793 -5.220 0.605 1.00 0.00 O ATOM 401 CG2 THR A 25 -6.251 -5.566 -1.239 1.00 0.00 C ATOM 0 H THR A 25 -7.019 -8.283 -1.028 1.00 0.00 H new ATOM 0 HA THR A 25 -5.213 -7.766 1.239 1.00 0.00 H new ATOM 0 HB THR A 25 -4.445 -6.636 -0.858 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.161 -5.622 1.237 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.762 -4.744 -1.761 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.594 -6.304 -1.965 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.105 -5.184 -0.680 1.00 0.00 H new ATOM 409 N ALA A 26 -7.055 -5.668 1.743 1.00 0.00 N ATOM 410 CA ALA A 26 -8.159 -5.035 2.445 1.00 0.00 C ATOM 411 C ALA A 26 -8.318 -3.591 1.985 1.00 0.00 C ATOM 412 O ALA A 26 -7.520 -2.725 2.340 1.00 0.00 O ATOM 413 CB ALA A 26 -7.933 -5.094 3.946 1.00 0.00 C ATOM 0 H ALA A 26 -6.209 -5.099 1.708 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.077 -5.575 2.213 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.768 -4.616 4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.861 -6.135 4.262 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.008 -4.574 4.195 1.00 0.00 H new ATOM 419 N GLU A 27 -9.345 -3.348 1.173 1.00 0.00 N ATOM 420 CA GLU A 27 -9.624 -2.012 0.624 1.00 0.00 C ATOM 421 C GLU A 27 -9.278 -0.889 1.603 1.00 0.00 C ATOM 422 O GLU A 27 -8.849 0.192 1.194 1.00 0.00 O ATOM 423 CB GLU A 27 -11.098 -1.907 0.224 1.00 0.00 C ATOM 424 CG GLU A 27 -12.046 -2.597 1.194 1.00 0.00 C ATOM 425 CD GLU A 27 -13.163 -1.686 1.667 1.00 0.00 C ATOM 426 OE1 GLU A 27 -12.858 -0.629 2.257 1.00 0.00 O ATOM 427 OE2 GLU A 27 -14.344 -2.030 1.446 1.00 0.00 O ATOM 0 H GLU A 27 -10.007 -4.064 0.875 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.987 -1.889 -0.252 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.371 -0.854 0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.228 -2.341 -0.768 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.477 -3.474 0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.482 -2.952 2.057 1.00 0.00 H new ATOM 434 N LYS A 28 -9.470 -1.145 2.891 1.00 0.00 N ATOM 435 CA LYS A 28 -9.177 -0.145 3.920 1.00 0.00 C ATOM 436 C LYS A 28 -7.793 0.476 3.725 1.00 0.00 C ATOM 437 O LYS A 28 -7.544 1.597 4.166 1.00 0.00 O ATOM 438 CB LYS A 28 -9.263 -0.761 5.314 1.00 0.00 C ATOM 439 CG LYS A 28 -10.485 -1.644 5.525 1.00 0.00 C ATOM 440 CD LYS A 28 -11.774 -0.898 5.215 1.00 0.00 C ATOM 441 CE LYS A 28 -12.798 -1.071 6.330 1.00 0.00 C ATOM 442 NZ LYS A 28 -14.121 -0.496 5.965 1.00 0.00 N ATOM 0 H LYS A 28 -9.825 -2.031 3.251 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.926 0.641 3.824 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.365 -1.351 5.495 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.273 0.039 6.054 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.412 -2.526 4.888 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.507 -1.996 6.556 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.559 0.162 5.078 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.191 -1.263 4.276 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.913 -2.131 6.555 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.431 -0.590 7.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.788 -0.635 6.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.017 0.521 5.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.484 -0.972 5.114 1.00 0.00 H new ATOM 456 N TYR A 29 -6.892 -0.263 3.082 1.00 0.00 N ATOM 457 CA TYR A 29 -5.527 0.226 2.858 1.00 0.00 C ATOM 458 C TYR A 29 -5.473 1.345 1.818 1.00 0.00 C ATOM 459 O TYR A 29 -4.941 2.420 2.094 1.00 0.00 O ATOM 460 CB TYR A 29 -4.591 -0.915 2.441 1.00 0.00 C ATOM 461 CG TYR A 29 -4.638 -2.105 3.372 1.00 0.00 C ATOM 462 CD1 TYR A 29 -4.352 -1.962 4.724 1.00 0.00 C ATOM 463 CD2 TYR A 29 -4.965 -3.368 2.901 1.00 0.00 C ATOM 464 CE1 TYR A 29 -4.389 -3.044 5.575 1.00 0.00 C ATOM 465 CE2 TYR A 29 -5.008 -4.455 3.747 1.00 0.00 C ATOM 466 CZ TYR A 29 -4.718 -4.287 5.081 1.00 0.00 C ATOM 467 OH TYR A 29 -4.760 -5.374 5.936 1.00 0.00 O ATOM 0 H TYR A 29 -7.076 -1.194 2.709 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.188 0.637 3.809 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.854 -1.241 1.435 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.569 -0.538 2.397 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.097 -0.988 5.113 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -5.190 -3.502 1.853 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -4.161 -2.919 6.623 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.267 -5.431 3.365 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.009 -6.177 5.432 1.00 0.00 H new ATOM 477 N PHE A 30 -6.006 1.101 0.620 1.00 0.00 N ATOM 478 CA PHE A 30 -5.977 2.123 -0.425 1.00 0.00 C ATOM 479 C PHE A 30 -6.729 3.375 0.015 1.00 0.00 C ATOM 480 O PHE A 30 -6.461 4.471 -0.476 1.00 0.00 O ATOM 481 CB PHE A 30 -6.526 1.596 -1.761 1.00 0.00 C ATOM 482 CG PHE A 30 -7.983 1.211 -1.755 1.00 0.00 C ATOM 483 CD1 PHE A 30 -8.971 2.131 -1.430 1.00 0.00 C ATOM 484 CD2 PHE A 30 -8.361 -0.077 -2.093 1.00 0.00 C ATOM 485 CE1 PHE A 30 -10.304 1.769 -1.441 1.00 0.00 C ATOM 486 CE2 PHE A 30 -9.694 -0.445 -2.106 1.00 0.00 C ATOM 487 CZ PHE A 30 -10.667 0.479 -1.778 1.00 0.00 C ATOM 0 H PHE A 30 -6.454 0.224 0.353 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.932 2.388 -0.586 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -6.373 2.359 -2.524 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.939 0.727 -2.058 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.694 3.141 -1.166 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.605 -0.804 -2.350 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.063 2.494 -1.186 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.974 -1.454 -2.372 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.709 0.194 -1.785 1.00 0.00 H new ATOM 497 N LYS A 31 -7.661 3.210 0.949 1.00 0.00 N ATOM 498 CA LYS A 31 -8.432 4.339 1.455 1.00 0.00 C ATOM 499 C LYS A 31 -7.643 5.072 2.531 1.00 0.00 C ATOM 500 O LYS A 31 -7.753 6.289 2.682 1.00 0.00 O ATOM 501 CB LYS A 31 -9.771 3.862 2.024 1.00 0.00 C ATOM 502 CG LYS A 31 -10.979 4.472 1.333 1.00 0.00 C ATOM 503 CD LYS A 31 -12.244 4.291 2.157 1.00 0.00 C ATOM 504 CE LYS A 31 -13.100 5.547 2.150 1.00 0.00 C ATOM 505 NZ LYS A 31 -13.809 5.744 3.444 1.00 0.00 N ATOM 0 H LYS A 31 -7.899 2.311 1.368 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.627 5.022 0.628 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.825 2.777 1.941 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.811 4.103 3.086 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.804 5.534 1.162 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.112 4.010 0.355 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.820 3.455 1.761 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.978 4.037 3.183 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.471 6.413 1.945 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.829 5.484 1.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.381 6.611 3.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.429 4.929 3.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.113 5.830 4.212 1.00 0.00 H new ATOM 519 N LEU A 32 -6.845 4.315 3.276 1.00 0.00 N ATOM 520 CA LEU A 32 -6.028 4.874 4.341 1.00 0.00 C ATOM 521 C LEU A 32 -4.833 5.631 3.771 1.00 0.00 C ATOM 522 O LEU A 32 -4.465 6.694 4.270 1.00 0.00 O ATOM 523 CB LEU A 32 -5.546 3.756 5.268 1.00 0.00 C ATOM 524 CG LEU A 32 -6.115 3.801 6.686 1.00 0.00 C ATOM 525 CD1 LEU A 32 -6.221 2.398 7.261 1.00 0.00 C ATOM 526 CD2 LEU A 32 -5.250 4.680 7.577 1.00 0.00 C ATOM 0 H LEU A 32 -6.748 3.306 3.159 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.637 5.577 4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.804 2.797 4.820 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.458 3.798 5.328 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.116 4.231 6.644 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.628 2.448 8.271 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.879 1.797 6.634 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.232 1.941 7.291 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.669 4.702 8.583 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.238 4.277 7.614 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.223 5.692 7.173 1.00 0.00 H new ATOM 538 N ILE A 33 -4.228 5.074 2.727 1.00 0.00 N ATOM 539 CA ILE A 33 -3.072 5.698 2.100 1.00 0.00 C ATOM 540 C ILE A 33 -3.474 6.926 1.285 1.00 0.00 C ATOM 541 O ILE A 33 -2.828 7.971 1.367 1.00 0.00 O ATOM 542 CB ILE A 33 -2.300 4.711 1.204 1.00 0.00 C ATOM 543 CG1 ILE A 33 -3.245 3.981 0.247 1.00 0.00 C ATOM 544 CG2 ILE A 33 -1.533 3.712 2.060 1.00 0.00 C ATOM 545 CD1 ILE A 33 -2.957 4.266 -1.209 1.00 0.00 C ATOM 0 H ILE A 33 -4.519 4.195 2.300 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.414 6.012 2.910 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.589 5.280 0.605 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.170 2.908 0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.272 4.270 0.471 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.992 3.020 1.415 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.825 4.245 2.695 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.232 3.155 2.684 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.662 3.718 -1.834 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.060 5.335 -1.398 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.941 3.951 -1.447 1.00 0.00 H new ATOM 557 N ALA A 34 -4.549 6.806 0.510 1.00 0.00 N ATOM 558 CA ALA A 34 -5.029 7.920 -0.300 1.00 0.00 C ATOM 559 C ALA A 34 -5.334 9.132 0.574 1.00 0.00 C ATOM 560 O ALA A 34 -5.286 10.273 0.112 1.00 0.00 O ATOM 561 CB ALA A 34 -6.263 7.507 -1.087 1.00 0.00 C ATOM 0 H ALA A 34 -5.101 5.953 0.426 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.244 8.197 -1.003 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.610 8.348 -1.687 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.014 6.672 -1.742 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.050 7.204 -0.397 1.00 0.00 H new ATOM 567 N ASN A 35 -5.644 8.875 1.841 1.00 0.00 N ATOM 568 CA ASN A 35 -5.953 9.939 2.787 1.00 0.00 C ATOM 569 C ASN A 35 -4.673 10.610 3.287 1.00 0.00 C ATOM 570 O ASN A 35 -4.694 11.765 3.714 1.00 0.00 O ATOM 571 CB ASN A 35 -6.761 9.378 3.963 1.00 0.00 C ATOM 572 CG ASN A 35 -6.922 10.375 5.097 1.00 0.00 C ATOM 573 OD1 ASN A 35 -7.266 11.535 4.875 1.00 0.00 O ATOM 574 ND2 ASN A 35 -6.672 9.924 6.321 1.00 0.00 N ATOM 0 H ASN A 35 -5.688 7.936 2.236 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.552 10.693 2.277 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.747 9.076 3.609 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.269 8.482 4.341 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.763 10.548 7.123 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.389 8.954 6.459 1.00 0.00 H new ATOM 581 N ALA A 36 -3.559 9.882 3.227 1.00 0.00 N ATOM 582 CA ALA A 36 -2.275 10.414 3.669 1.00 0.00 C ATOM 583 C ALA A 36 -1.880 11.639 2.854 1.00 0.00 C ATOM 584 O ALA A 36 -2.026 11.658 1.632 1.00 0.00 O ATOM 585 CB ALA A 36 -1.196 9.346 3.569 1.00 0.00 C ATOM 0 H ALA A 36 -3.522 8.925 2.877 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.377 10.717 4.711 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.244 9.759 3.902 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.464 8.498 4.199 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.106 9.016 2.534 1.00 0.00 H new ATOM 591 N LYS A 37 -1.378 12.658 3.535 1.00 0.00 N ATOM 592 CA LYS A 37 -0.960 13.885 2.870 1.00 0.00 C ATOM 593 C LYS A 37 0.397 13.704 2.195 1.00 0.00 C ATOM 594 O LYS A 37 0.704 14.375 1.209 1.00 0.00 O ATOM 595 CB LYS A 37 -0.901 15.040 3.878 1.00 0.00 C ATOM 596 CG LYS A 37 -1.940 16.122 3.625 1.00 0.00 C ATOM 597 CD LYS A 37 -3.351 15.558 3.662 1.00 0.00 C ATOM 598 CE LYS A 37 -4.242 16.213 2.619 1.00 0.00 C ATOM 599 NZ LYS A 37 -5.682 16.131 2.986 1.00 0.00 N ATOM 0 H LYS A 37 -1.250 12.661 4.547 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.694 14.123 2.101 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.041 14.642 4.883 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.092 15.488 3.848 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.841 16.906 4.376 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.757 16.584 2.655 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.318 14.482 3.490 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.778 15.709 4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.956 17.258 2.503 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.086 15.731 1.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.255 16.589 2.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.962 15.133 3.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.837 16.613 3.894 1.00 0.00 H new ATOM 613 N THR A 38 1.207 12.796 2.733 1.00 0.00 N ATOM 614 CA THR A 38 2.531 12.536 2.184 1.00 0.00 C ATOM 615 C THR A 38 2.538 11.232 1.396 1.00 0.00 C ATOM 616 O THR A 38 1.936 10.241 1.809 1.00 0.00 O ATOM 617 CB THR A 38 3.574 12.475 3.299 1.00 0.00 C ATOM 618 OG1 THR A 38 3.137 11.629 4.348 1.00 0.00 O ATOM 619 CG2 THR A 38 3.891 13.831 3.899 1.00 0.00 C ATOM 0 H THR A 38 0.969 12.230 3.547 1.00 0.00 H new ATOM 0 HA THR A 38 2.784 13.355 1.511 1.00 0.00 H new ATOM 0 HB THR A 38 4.477 12.086 2.829 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.819 11.601 5.052 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.638 13.716 4.684 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.279 14.491 3.123 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.984 14.263 4.322 1.00 0.00 H new ATOM 627 N VAL A 39 3.225 11.241 0.260 1.00 0.00 N ATOM 628 CA VAL A 39 3.315 10.061 -0.591 1.00 0.00 C ATOM 629 C VAL A 39 4.086 8.939 0.097 1.00 0.00 C ATOM 630 O VAL A 39 3.750 7.763 -0.047 1.00 0.00 O ATOM 631 CB VAL A 39 3.998 10.389 -1.934 1.00 0.00 C ATOM 632 CG1 VAL A 39 3.179 11.407 -2.715 1.00 0.00 C ATOM 633 CG2 VAL A 39 5.414 10.896 -1.704 1.00 0.00 C ATOM 0 H VAL A 39 3.729 12.054 -0.094 1.00 0.00 H new ATOM 0 HA VAL A 39 2.294 9.731 -0.780 1.00 0.00 H new ATOM 0 HB VAL A 39 4.056 9.474 -2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.676 11.626 -3.660 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.187 11.001 -2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.086 12.324 -2.132 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.880 11.122 -2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.383 11.799 -1.094 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.995 10.131 -1.190 1.00 0.00 H new ATOM 643 N GLU A 40 5.123 9.309 0.844 1.00 0.00 N ATOM 644 CA GLU A 40 5.944 8.333 1.554 1.00 0.00 C ATOM 645 C GLU A 40 5.084 7.420 2.426 1.00 0.00 C ATOM 646 O GLU A 40 5.454 6.277 2.695 1.00 0.00 O ATOM 647 CB GLU A 40 6.986 9.047 2.417 1.00 0.00 C ATOM 648 CG GLU A 40 7.874 10.000 1.633 1.00 0.00 C ATOM 649 CD GLU A 40 8.249 11.235 2.429 1.00 0.00 C ATOM 650 OE1 GLU A 40 8.677 11.078 3.588 1.00 0.00 O ATOM 651 OE2 GLU A 40 8.112 12.349 1.886 1.00 0.00 O ATOM 0 H GLU A 40 5.415 10.278 0.973 1.00 0.00 H new ATOM 0 HA GLU A 40 6.452 7.718 0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.475 9.603 3.203 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.611 8.302 2.908 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.782 9.478 1.329 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.360 10.302 0.721 1.00 0.00 H new ATOM 658 N GLY A 41 3.936 7.932 2.858 1.00 0.00 N ATOM 659 CA GLY A 41 3.040 7.149 3.689 1.00 0.00 C ATOM 660 C GLY A 41 2.256 6.137 2.882 1.00 0.00 C ATOM 661 O GLY A 41 1.922 5.057 3.372 1.00 0.00 O ATOM 0 H GLY A 41 3.610 8.875 2.647 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.616 6.632 4.456 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.349 7.816 4.204 1.00 0.00 H new ATOM 665 N VAL A 42 1.964 6.494 1.640 1.00 0.00 N ATOM 666 CA VAL A 42 1.215 5.626 0.746 1.00 0.00 C ATOM 667 C VAL A 42 2.117 4.576 0.105 1.00 0.00 C ATOM 668 O VAL A 42 1.745 3.407 -0.003 1.00 0.00 O ATOM 669 CB VAL A 42 0.534 6.446 -0.365 1.00 0.00 C ATOM 670 CG1 VAL A 42 -0.159 5.534 -1.364 1.00 0.00 C ATOM 671 CG2 VAL A 42 -0.446 7.444 0.234 1.00 0.00 C ATOM 0 H VAL A 42 2.237 7.386 1.227 1.00 0.00 H new ATOM 0 HA VAL A 42 0.458 5.123 1.347 1.00 0.00 H new ATOM 0 HB VAL A 42 1.303 7.003 -0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.633 6.137 -2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.575 4.869 -1.819 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.917 4.942 -0.851 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.918 8.015 -0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.210 6.910 0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.087 8.123 0.899 1.00 0.00 H new ATOM 681 N TRP A 43 3.298 5.000 -0.330 1.00 0.00 N ATOM 682 CA TRP A 43 4.241 4.090 -0.972 1.00 0.00 C ATOM 683 C TRP A 43 4.772 3.062 0.022 1.00 0.00 C ATOM 684 O TRP A 43 5.106 1.939 -0.353 1.00 0.00 O ATOM 685 CB TRP A 43 5.400 4.879 -1.597 1.00 0.00 C ATOM 686 CG TRP A 43 5.032 5.550 -2.891 1.00 0.00 C ATOM 687 CD1 TRP A 43 4.420 6.764 -3.043 1.00 0.00 C ATOM 688 CD2 TRP A 43 5.243 5.042 -4.215 1.00 0.00 C ATOM 689 NE1 TRP A 43 4.253 7.046 -4.377 1.00 0.00 N ATOM 690 CE2 TRP A 43 4.747 6.004 -5.116 1.00 0.00 C ATOM 691 CE3 TRP A 43 5.807 3.870 -4.728 1.00 0.00 C ATOM 692 CZ2 TRP A 43 4.798 5.831 -6.497 1.00 0.00 C ATOM 693 CZ3 TRP A 43 5.855 3.698 -6.100 1.00 0.00 C ATOM 694 CH2 TRP A 43 5.354 4.675 -6.969 1.00 0.00 C ATOM 0 H TRP A 43 3.625 5.963 -0.251 1.00 0.00 H new ATOM 0 HA TRP A 43 3.714 3.555 -1.762 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.741 5.634 -0.888 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.238 4.204 -1.771 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.113 7.407 -2.232 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.830 7.893 -4.756 1.00 0.00 H new ATOM 0 HE3 TRP A 43 6.198 3.112 -4.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.412 6.582 -7.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.286 2.795 -6.507 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.408 4.512 -8.035 1.00 0.00 H new ATOM 705 N THR A 44 4.835 3.443 1.296 1.00 0.00 N ATOM 706 CA THR A 44 5.314 2.531 2.332 1.00 0.00 C ATOM 707 C THR A 44 4.222 1.536 2.698 1.00 0.00 C ATOM 708 O THR A 44 4.459 0.329 2.761 1.00 0.00 O ATOM 709 CB THR A 44 5.763 3.298 3.579 1.00 0.00 C ATOM 710 OG1 THR A 44 6.212 2.402 4.580 1.00 0.00 O ATOM 711 CG2 THR A 44 4.671 4.150 4.189 1.00 0.00 C ATOM 0 H THR A 44 4.564 4.367 1.633 1.00 0.00 H new ATOM 0 HA THR A 44 6.175 1.992 1.936 1.00 0.00 H new ATOM 0 HB THR A 44 6.565 3.954 3.240 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.497 2.909 5.369 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.059 4.665 5.068 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.332 4.885 3.459 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.834 3.515 4.480 1.00 0.00 H new ATOM 719 N LEU A 45 3.015 2.048 2.920 1.00 0.00 N ATOM 720 CA LEU A 45 1.884 1.199 3.260 1.00 0.00 C ATOM 721 C LEU A 45 1.624 0.203 2.135 1.00 0.00 C ATOM 722 O LEU A 45 1.300 -0.959 2.381 1.00 0.00 O ATOM 723 CB LEU A 45 0.635 2.047 3.516 1.00 0.00 C ATOM 724 CG LEU A 45 0.127 2.032 4.960 1.00 0.00 C ATOM 725 CD1 LEU A 45 0.555 3.294 5.695 1.00 0.00 C ATOM 726 CD2 LEU A 45 -1.386 1.872 4.999 1.00 0.00 C ATOM 0 H LEU A 45 2.798 3.043 2.870 1.00 0.00 H new ATOM 0 HA LEU A 45 2.120 0.650 4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.850 3.078 3.233 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.164 1.697 2.862 1.00 0.00 H new ATOM 0 HG LEU A 45 0.572 1.176 5.467 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.183 3.262 6.719 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.643 3.358 5.706 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.146 4.167 5.187 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.724 1.864 6.035 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.853 2.703 4.471 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.665 0.934 4.519 1.00 0.00 H new ATOM 737 N LYS A 46 1.786 0.667 0.897 1.00 0.00 N ATOM 738 CA LYS A 46 1.583 -0.182 -0.266 1.00 0.00 C ATOM 739 C LYS A 46 2.626 -1.294 -0.290 1.00 0.00 C ATOM 740 O LYS A 46 2.347 -2.412 -0.724 1.00 0.00 O ATOM 741 CB LYS A 46 1.627 0.646 -1.560 1.00 0.00 C ATOM 742 CG LYS A 46 3.016 0.811 -2.160 1.00 0.00 C ATOM 743 CD LYS A 46 3.244 -0.157 -3.311 1.00 0.00 C ATOM 744 CE LYS A 46 4.724 -0.414 -3.543 1.00 0.00 C ATOM 745 NZ LYS A 46 5.528 0.836 -3.456 1.00 0.00 N ATOM 0 H LYS A 46 2.057 1.626 0.678 1.00 0.00 H new ATOM 0 HA LYS A 46 0.595 -0.638 -0.199 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.980 0.175 -2.300 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.213 1.634 -1.358 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.142 1.834 -2.513 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.769 0.645 -1.389 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.740 -1.100 -3.099 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.798 0.246 -4.220 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.087 -1.131 -2.806 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.864 -0.867 -4.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.204 0.870 -4.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.895 1.660 -3.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.047 0.853 -2.555 1.00 0.00 H new ATOM 759 N ASP A 47 3.825 -0.986 0.202 1.00 0.00 N ATOM 760 CA ASP A 47 4.893 -1.974 0.257 1.00 0.00 C ATOM 761 C ASP A 47 4.472 -3.123 1.160 1.00 0.00 C ATOM 762 O ASP A 47 4.796 -4.286 0.908 1.00 0.00 O ATOM 763 CB ASP A 47 6.188 -1.343 0.776 1.00 0.00 C ATOM 764 CG ASP A 47 6.726 -0.273 -0.154 1.00 0.00 C ATOM 765 OD1 ASP A 47 6.690 -0.484 -1.385 1.00 0.00 O ATOM 766 OD2 ASP A 47 7.185 0.775 0.347 1.00 0.00 O ATOM 0 H ASP A 47 4.077 -0.067 0.565 1.00 0.00 H new ATOM 0 HA ASP A 47 5.078 -2.351 -0.749 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.008 -0.908 1.759 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.941 -2.120 0.904 1.00 0.00 H new ATOM 771 N GLU A 48 3.721 -2.786 2.205 1.00 0.00 N ATOM 772 CA GLU A 48 3.223 -3.783 3.144 1.00 0.00 C ATOM 773 C GLU A 48 2.169 -4.655 2.471 1.00 0.00 C ATOM 774 O GLU A 48 1.997 -5.823 2.820 1.00 0.00 O ATOM 775 CB GLU A 48 2.633 -3.104 4.382 1.00 0.00 C ATOM 776 CG GLU A 48 2.979 -3.807 5.684 1.00 0.00 C ATOM 777 CD GLU A 48 2.564 -3.008 6.901 1.00 0.00 C ATOM 778 OE1 GLU A 48 1.471 -2.404 6.873 1.00 0.00 O ATOM 779 OE2 GLU A 48 3.331 -2.990 7.885 1.00 0.00 O ATOM 0 H GLU A 48 3.444 -1.828 2.422 1.00 0.00 H new ATOM 0 HA GLU A 48 4.056 -4.413 3.458 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.991 -2.076 4.428 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.549 -3.059 4.280 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.490 -4.781 5.709 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.053 -3.988 5.721 1.00 0.00 H new ATOM 786 N ILE A 49 1.474 -4.080 1.492 1.00 0.00 N ATOM 787 CA ILE A 49 0.444 -4.803 0.754 1.00 0.00 C ATOM 788 C ILE A 49 1.075 -5.831 -0.181 1.00 0.00 C ATOM 789 O ILE A 49 0.466 -6.852 -0.502 1.00 0.00 O ATOM 790 CB ILE A 49 -0.431 -3.845 -0.074 1.00 0.00 C ATOM 791 CG1 ILE A 49 -0.909 -2.678 0.794 1.00 0.00 C ATOM 792 CG2 ILE A 49 -1.612 -4.594 -0.677 1.00 0.00 C ATOM 793 CD1 ILE A 49 -1.878 -3.085 1.884 1.00 0.00 C ATOM 0 H ILE A 49 1.607 -3.114 1.192 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.183 -5.309 1.488 1.00 0.00 H new ATOM 0 HB ILE A 49 0.167 -3.440 -0.890 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.043 -2.198 1.251 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.386 -1.934 0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.222 -3.903 -1.260 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.245 -5.390 -1.325 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.215 -5.025 0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.172 -2.205 2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.762 -3.537 1.435 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.399 -3.806 2.546 1.00 0.00 H new ATOM 805 N LYS A 50 2.300 -5.552 -0.618 1.00 0.00 N ATOM 806 CA LYS A 50 3.015 -6.450 -1.517 1.00 0.00 C ATOM 807 C LYS A 50 3.597 -7.635 -0.753 1.00 0.00 C ATOM 808 O LYS A 50 3.706 -8.737 -1.291 1.00 0.00 O ATOM 809 CB LYS A 50 4.130 -5.696 -2.244 1.00 0.00 C ATOM 810 CG LYS A 50 4.898 -6.557 -3.235 1.00 0.00 C ATOM 811 CD LYS A 50 6.373 -6.187 -3.269 1.00 0.00 C ATOM 812 CE LYS A 50 6.886 -6.065 -4.695 1.00 0.00 C ATOM 813 NZ LYS A 50 8.149 -5.291 -4.766 1.00 0.00 N ATOM 0 H LYS A 50 2.817 -4.711 -0.363 1.00 0.00 H new ATOM 0 HA LYS A 50 2.305 -6.830 -2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.698 -4.846 -2.772 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.826 -5.294 -1.508 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.792 -7.608 -2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.469 -6.439 -4.230 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.524 -5.243 -2.745 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.951 -6.943 -2.737 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.047 -7.060 -5.109 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.129 -5.581 -5.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.465 -5.231 -5.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.990 -4.333 -4.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.879 -5.766 -4.198 1.00 0.00 H new ATOM 827 N THR A 51 3.970 -7.404 0.503 1.00 0.00 N ATOM 828 CA THR A 51 4.540 -8.461 1.333 1.00 0.00 C ATOM 829 C THR A 51 3.463 -9.129 2.182 1.00 0.00 C ATOM 830 O THR A 51 3.373 -10.355 2.236 1.00 0.00 O ATOM 831 CB THR A 51 5.634 -7.894 2.236 1.00 0.00 C ATOM 832 OG1 THR A 51 6.273 -6.793 1.617 1.00 0.00 O ATOM 833 CG2 THR A 51 6.697 -8.908 2.591 1.00 0.00 C ATOM 0 H THR A 51 3.888 -6.499 0.966 1.00 0.00 H new ATOM 0 HA THR A 51 4.974 -9.211 0.672 1.00 0.00 H new ATOM 0 HB THR A 51 5.128 -7.589 3.152 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.969 -6.442 2.211 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.444 -8.442 3.234 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.239 -9.747 3.115 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.176 -9.267 1.680 1.00 0.00 H new ATOM 841 N PHE A 52 2.649 -8.312 2.841 1.00 0.00 N ATOM 842 CA PHE A 52 1.573 -8.816 3.689 1.00 0.00 C ATOM 843 C PHE A 52 2.101 -9.779 4.748 1.00 0.00 C ATOM 844 O PHE A 52 1.346 -10.574 5.302 1.00 0.00 O ATOM 845 CB PHE A 52 0.516 -9.514 2.837 1.00 0.00 C ATOM 846 CG PHE A 52 -0.799 -8.788 2.798 1.00 0.00 C ATOM 847 CD1 PHE A 52 -0.927 -7.606 2.091 1.00 0.00 C ATOM 848 CD2 PHE A 52 -1.902 -9.286 3.468 1.00 0.00 C ATOM 849 CE1 PHE A 52 -2.134 -6.932 2.051 1.00 0.00 C ATOM 850 CE2 PHE A 52 -3.111 -8.616 3.430 1.00 0.00 C ATOM 851 CZ PHE A 52 -3.228 -7.439 2.724 1.00 0.00 C ATOM 0 H PHE A 52 2.714 -7.295 2.805 1.00 0.00 H new ATOM 0 HA PHE A 52 1.125 -7.964 4.199 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.893 -9.621 1.820 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.355 -10.520 3.224 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.074 -7.205 1.564 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.818 -10.207 4.026 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.221 -6.011 1.494 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.966 -9.016 3.955 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.172 -6.915 2.697 1.00 0.00 H new ATOM 861 N THR A 53 3.397 -9.696 5.021 1.00 0.00 N ATOM 862 CA THR A 53 4.030 -10.558 6.018 1.00 0.00 C ATOM 863 C THR A 53 3.831 -12.030 5.658 1.00 0.00 C ATOM 864 O THR A 53 4.707 -12.652 5.054 1.00 0.00 O ATOM 865 CB THR A 53 3.465 -10.250 7.410 1.00 0.00 C ATOM 866 OG1 THR A 53 3.893 -8.973 7.848 1.00 0.00 O ATOM 867 CG2 THR A 53 3.849 -11.256 8.480 1.00 0.00 C ATOM 0 H THR A 53 4.033 -9.041 4.567 1.00 0.00 H new ATOM 0 HA THR A 53 5.102 -10.359 6.029 1.00 0.00 H new ATOM 0 HB THR A 53 2.383 -10.295 7.285 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.523 -8.791 8.737 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.407 -10.961 9.432 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.482 -12.243 8.200 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.934 -11.287 8.578 1.00 0.00 H new ATOM 875 N VAL A 54 2.687 -12.583 6.036 1.00 0.00 N ATOM 876 CA VAL A 54 2.380 -13.983 5.758 1.00 0.00 C ATOM 877 C VAL A 54 1.263 -14.096 4.721 1.00 0.00 C ATOM 878 O VAL A 54 0.432 -13.200 4.593 1.00 0.00 O ATOM 879 CB VAL A 54 1.965 -14.736 7.036 1.00 0.00 C ATOM 880 CG1 VAL A 54 3.155 -14.912 7.956 1.00 0.00 C ATOM 881 CG2 VAL A 54 0.839 -13.998 7.738 1.00 0.00 C ATOM 0 H VAL A 54 1.953 -12.083 6.538 1.00 0.00 H new ATOM 0 HA VAL A 54 3.289 -14.439 5.365 1.00 0.00 H new ATOM 0 HB VAL A 54 1.603 -15.726 6.759 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.845 -15.446 8.854 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.929 -15.483 7.444 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.549 -13.934 8.233 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.555 -14.541 8.640 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.173 -12.996 8.007 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.021 -13.927 7.071 1.00 0.00 H new ATOM 891 N THR A 55 1.243 -15.214 4.003 1.00 0.00 N ATOM 892 CA THR A 55 0.226 -15.447 2.986 1.00 0.00 C ATOM 893 C THR A 55 -0.830 -16.427 3.486 1.00 0.00 C ATOM 894 O THR A 55 -0.564 -17.244 4.365 1.00 0.00 O ATOM 895 CB THR A 55 0.869 -15.980 1.702 1.00 0.00 C ATOM 896 OG1 THR A 55 2.171 -15.448 1.533 1.00 0.00 O ATOM 897 CG2 THR A 55 0.076 -15.657 0.455 1.00 0.00 C ATOM 0 H THR A 55 1.918 -15.971 4.107 1.00 0.00 H new ATOM 0 HA THR A 55 -0.261 -14.496 2.771 1.00 0.00 H new ATOM 0 HB THR A 55 0.898 -17.063 1.824 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.565 -15.802 0.708 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.588 -16.064 -0.417 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.918 -16.099 0.531 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.014 -14.576 0.351 1.00 0.00 H new ATOM 905 N GLU A 56 -2.027 -16.336 2.913 1.00 0.00 N ATOM 906 CA GLU A 56 -3.124 -17.217 3.302 1.00 0.00 C ATOM 907 C GLU A 56 -3.700 -17.935 2.085 1.00 0.00 C ATOM 908 O GLU A 56 -3.921 -19.161 2.173 1.00 0.00 O ATOM 909 CB GLU A 56 -4.224 -16.422 4.011 1.00 0.00 C ATOM 910 CG GLU A 56 -5.386 -17.276 4.491 1.00 0.00 C ATOM 911 CD GLU A 56 -6.452 -17.459 3.428 1.00 0.00 C ATOM 912 OE1 GLU A 56 -6.821 -16.456 2.776 1.00 0.00 O ATOM 913 OE2 GLU A 56 -6.916 -18.602 3.243 1.00 0.00 O ATOM 914 OXT GLU A 56 -3.926 -17.265 1.055 1.00 0.00 O ATOM 0 H GLU A 56 -2.261 -15.665 2.182 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.729 -17.964 3.991 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.790 -15.902 4.865 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.603 -15.658 3.332 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.012 -18.253 4.798 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.832 -16.815 5.372 1.00 0.00 H new TER 921 GLU A 56