USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 349 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 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.603 F(o=-2.4,f=-0.6) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN :FLIP amide:sc= -2.45! C(o=-3.2!,f=-2.4!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -3.45! C(o=-3.4!,f=-5.1!) USER MOD Single : A 24 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0349) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.425) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=-0.0039) USER MOD ----------------------------------------------------------------- ATOM 50 N LYS A 4 -22.300 -2.040 6.539 1.00 0.00 N ATOM 51 CA LYS A 4 -21.694 -3.360 6.363 1.00 0.00 C ATOM 52 C LYS A 4 -21.114 -3.538 4.967 1.00 0.00 C ATOM 53 O LYS A 4 -20.128 -4.250 4.796 1.00 0.00 O ATOM 54 CB LYS A 4 -22.713 -4.457 6.661 1.00 0.00 C ATOM 55 CG LYS A 4 -22.092 -5.831 6.862 1.00 0.00 C ATOM 56 CD LYS A 4 -22.609 -6.833 5.842 1.00 0.00 C ATOM 57 CE LYS A 4 -22.020 -6.580 4.463 1.00 0.00 C ATOM 58 NZ LYS A 4 -22.529 -7.550 3.454 1.00 0.00 N ATOM 0 HA LYS A 4 -20.869 -3.439 7.071 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -23.273 -4.187 7.556 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -23.429 -4.508 5.841 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -21.008 -5.756 6.782 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -22.314 -6.188 7.868 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -22.360 -7.844 6.165 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -23.696 -6.773 5.791 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -22.262 -5.566 4.146 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -20.933 -6.647 4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -22.103 -7.343 2.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -22.276 -8.516 3.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -23.564 -7.469 3.385 1.00 0.00 H new ATOM 72 N GLN A 5 -21.703 -2.883 3.974 1.00 0.00 N ATOM 73 CA GLN A 5 -21.207 -2.976 2.615 1.00 0.00 C ATOM 74 C GLN A 5 -20.246 -1.827 2.359 1.00 0.00 C ATOM 75 O GLN A 5 -19.306 -1.943 1.573 1.00 0.00 O ATOM 76 CB GLN A 5 -22.393 -2.984 1.635 1.00 0.00 C ATOM 77 CG GLN A 5 -22.399 -1.858 0.607 1.00 0.00 C ATOM 78 CD GLN A 5 -21.631 -2.158 -0.646 1.00 0.00 C ATOM 79 OE1 GLN A 5 -20.527 -2.844 -0.516 1.00 0.00 O flip ATOM 80 NE2 GLN A 5 -22.036 -1.765 -1.740 1.00 0.00 N flip ATOM 0 H GLN A 5 -22.521 -2.285 4.088 1.00 0.00 H new ATOM 0 HA GLN A 5 -20.659 -3.906 2.464 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -22.398 -3.937 1.105 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -23.318 -2.933 2.210 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -23.431 -1.632 0.340 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -21.984 -0.961 1.067 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -22.903 -1.232 -1.801 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -21.504 -1.973 -2.585 1.00 0.00 H new ATOM 89 N ILE A 6 -20.468 -0.737 3.073 1.00 0.00 N ATOM 90 CA ILE A 6 -19.627 0.424 2.985 1.00 0.00 C ATOM 91 C ILE A 6 -18.471 0.283 3.967 1.00 0.00 C ATOM 92 O ILE A 6 -17.392 0.831 3.762 1.00 0.00 O ATOM 93 CB ILE A 6 -20.387 1.730 3.270 1.00 0.00 C ATOM 94 CG1 ILE A 6 -21.453 1.578 4.366 1.00 0.00 C ATOM 95 CG2 ILE A 6 -21.010 2.232 1.988 1.00 0.00 C ATOM 96 CD1 ILE A 6 -20.906 1.073 5.684 1.00 0.00 C ATOM 0 H ILE A 6 -21.242 -0.641 3.730 1.00 0.00 H new ATOM 0 HA ILE A 6 -19.258 0.483 1.961 1.00 0.00 H new ATOM 0 HB ILE A 6 -19.666 2.456 3.647 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -21.934 2.543 4.528 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -22.225 0.892 4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -21.550 3.158 2.184 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -20.228 2.417 1.252 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -21.702 1.483 1.602 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -21.717 0.992 6.407 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -20.451 0.093 5.538 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -20.155 1.770 6.057 1.00 0.00 H new ATOM 108 N VAL A 7 -18.713 -0.501 5.023 1.00 0.00 N ATOM 109 CA VAL A 7 -17.723 -0.777 6.036 1.00 0.00 C ATOM 110 C VAL A 7 -16.746 -1.779 5.463 1.00 0.00 C ATOM 111 O VAL A 7 -15.540 -1.657 5.614 1.00 0.00 O ATOM 112 CB VAL A 7 -18.389 -1.332 7.310 1.00 0.00 C ATOM 113 CG1 VAL A 7 -18.519 -2.848 7.269 1.00 0.00 C ATOM 114 CG2 VAL A 7 -17.617 -0.889 8.524 1.00 0.00 C ATOM 0 H VAL A 7 -19.610 -0.958 5.188 1.00 0.00 H new ATOM 0 HA VAL A 7 -17.203 0.139 6.316 1.00 0.00 H new ATOM 0 HB VAL A 7 -19.401 -0.930 7.366 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -18.993 -3.197 8.186 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -19.127 -3.138 6.412 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -17.529 -3.296 7.179 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -18.092 -1.284 9.422 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -16.595 -1.261 8.461 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -17.604 0.200 8.570 1.00 0.00 H new ATOM 124 N TYR A 8 -17.313 -2.734 4.739 1.00 0.00 N ATOM 125 CA TYR A 8 -16.551 -3.750 4.040 1.00 0.00 C ATOM 126 C TYR A 8 -15.648 -3.051 3.062 1.00 0.00 C ATOM 127 O TYR A 8 -14.447 -3.303 2.989 1.00 0.00 O ATOM 128 CB TYR A 8 -17.482 -4.661 3.265 1.00 0.00 C ATOM 129 CG TYR A 8 -17.134 -6.092 3.465 1.00 0.00 C ATOM 130 CD1 TYR A 8 -16.880 -6.564 4.731 1.00 0.00 C ATOM 131 CD2 TYR A 8 -17.008 -6.960 2.401 1.00 0.00 C ATOM 132 CE1 TYR A 8 -16.516 -7.840 4.944 1.00 0.00 C ATOM 133 CE2 TYR A 8 -16.650 -8.260 2.599 1.00 0.00 C ATOM 134 CZ TYR A 8 -16.398 -8.710 3.880 1.00 0.00 C ATOM 135 OH TYR A 8 -16.026 -10.018 4.093 1.00 0.00 O ATOM 0 H TYR A 8 -18.322 -2.823 4.622 1.00 0.00 H new ATOM 0 HA TYR A 8 -15.983 -4.345 4.756 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -18.510 -4.488 3.583 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -17.431 -4.418 2.204 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -16.975 -5.894 5.573 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -17.195 -6.605 1.398 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -16.316 -8.184 5.948 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -16.564 -8.934 1.759 1.00 0.00 H new ATOM 0 HH TYR A 8 -15.993 -10.492 3.236 1.00 0.00 H new ATOM 145 N TRP A 9 -16.261 -2.120 2.341 1.00 0.00 N ATOM 146 CA TRP A 9 -15.554 -1.306 1.381 1.00 0.00 C ATOM 147 C TRP A 9 -14.497 -0.542 2.114 1.00 0.00 C ATOM 148 O TRP A 9 -13.292 -0.695 1.910 1.00 0.00 O ATOM 149 CB TRP A 9 -16.515 -0.297 0.773 1.00 0.00 C ATOM 150 CG TRP A 9 -16.906 -0.629 -0.586 1.00 0.00 C ATOM 151 CD1 TRP A 9 -18.112 -1.003 -1.023 1.00 0.00 C ATOM 152 CD2 TRP A 9 -16.056 -0.600 -1.684 1.00 0.00 C ATOM 153 NE1 TRP A 9 -18.050 -1.220 -2.382 1.00 0.00 N ATOM 154 CE2 TRP A 9 -16.789 -0.974 -2.801 1.00 0.00 C ATOM 155 CE3 TRP A 9 -14.736 -0.288 -1.805 1.00 0.00 C ATOM 156 CZ2 TRP A 9 -16.232 -1.047 -4.058 1.00 0.00 C ATOM 157 CZ3 TRP A 9 -14.162 -0.353 -3.048 1.00 0.00 C ATOM 158 CH2 TRP A 9 -14.920 -0.733 -4.168 1.00 0.00 C ATOM 0 H TRP A 9 -17.258 -1.915 2.410 1.00 0.00 H new ATOM 0 HA TRP A 9 -15.125 -1.936 0.602 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -17.407 -0.233 1.396 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -16.050 0.689 0.780 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -18.994 -1.117 -0.410 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -18.826 -1.517 -2.973 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -14.155 0.004 -0.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -16.816 -1.342 -4.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -13.117 -0.110 -3.168 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -14.446 -0.776 -5.137 1.00 0.00 H new ATOM 169 N LYS A 10 -15.017 0.278 2.989 1.00 0.00 N ATOM 170 CA LYS A 10 -14.227 1.129 3.845 1.00 0.00 C ATOM 171 C LYS A 10 -13.105 0.341 4.509 1.00 0.00 C ATOM 172 O LYS A 10 -11.947 0.738 4.458 1.00 0.00 O ATOM 173 CB LYS A 10 -15.136 1.761 4.897 1.00 0.00 C ATOM 174 CG LYS A 10 -14.394 2.477 6.001 1.00 0.00 C ATOM 175 CD LYS A 10 -14.989 2.164 7.363 1.00 0.00 C ATOM 176 CE LYS A 10 -14.042 2.548 8.489 1.00 0.00 C ATOM 177 NZ LYS A 10 -13.285 1.373 9.003 1.00 0.00 N ATOM 0 H LYS A 10 -16.022 0.376 3.131 1.00 0.00 H new ATOM 0 HA LYS A 10 -13.767 1.913 3.244 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -15.806 2.467 4.406 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -15.760 0.983 5.338 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.344 2.184 5.985 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.428 3.552 5.826 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -15.931 2.699 7.481 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -15.217 1.100 7.425 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -13.342 3.303 8.133 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -14.610 2.998 9.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.651 1.677 9.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.952 0.662 9.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.723 0.958 8.233 1.00 0.00 H new ATOM 191 N GLN A 11 -13.448 -0.786 5.118 1.00 0.00 N ATOM 192 CA GLN A 11 -12.445 -1.609 5.781 1.00 0.00 C ATOM 193 C GLN A 11 -11.548 -2.306 4.769 1.00 0.00 C ATOM 194 O GLN A 11 -10.662 -3.079 5.124 1.00 0.00 O ATOM 195 CB GLN A 11 -13.106 -2.626 6.710 1.00 0.00 C ATOM 196 CG GLN A 11 -13.734 -3.798 5.974 1.00 0.00 C ATOM 197 CD GLN A 11 -14.247 -4.903 6.897 1.00 0.00 C ATOM 198 OE1 GLN A 11 -13.982 -4.809 8.208 1.00 0.00 O flip ATOM 199 NE2 GLN A 11 -14.874 -5.853 6.428 1.00 0.00 N flip ATOM 0 H GLN A 11 -14.400 -1.148 5.167 1.00 0.00 H new ATOM 0 HA GLN A 11 -11.819 -0.951 6.384 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -12.362 -3.004 7.411 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -13.873 -2.124 7.299 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -14.561 -3.432 5.366 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -12.999 -4.221 5.290 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -15.060 -5.896 5.426 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -15.207 -6.597 7.041 1.00 0.00 H new ATOM 208 N TRP A 12 -11.782 -2.015 3.512 1.00 0.00 N ATOM 209 CA TRP A 12 -10.996 -2.571 2.435 1.00 0.00 C ATOM 210 C TRP A 12 -10.145 -1.489 1.786 1.00 0.00 C ATOM 211 O TRP A 12 -9.007 -1.741 1.429 1.00 0.00 O ATOM 212 CB TRP A 12 -11.914 -3.219 1.410 1.00 0.00 C ATOM 213 CG TRP A 12 -11.191 -4.115 0.523 1.00 0.00 C ATOM 214 CD1 TRP A 12 -11.168 -5.450 0.555 1.00 0.00 C ATOM 215 CD2 TRP A 12 -10.360 -3.711 -0.517 1.00 0.00 C ATOM 216 NE1 TRP A 12 -10.331 -5.921 -0.415 1.00 0.00 N ATOM 217 CE2 TRP A 12 -9.826 -4.854 -1.101 1.00 0.00 C ATOM 218 CE3 TRP A 12 -10.032 -2.473 -0.989 1.00 0.00 C ATOM 219 CZ2 TRP A 12 -8.952 -4.796 -2.166 1.00 0.00 C ATOM 220 CZ3 TRP A 12 -9.159 -2.380 -2.058 1.00 0.00 C ATOM 221 CH2 TRP A 12 -8.622 -3.553 -2.643 1.00 0.00 C ATOM 0 H TRP A 12 -12.524 -1.385 3.206 1.00 0.00 H new ATOM 0 HA TRP A 12 -10.328 -3.332 2.838 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -12.699 -3.773 1.925 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -12.405 -2.444 0.821 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -11.728 -6.065 1.245 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -10.119 -6.902 -0.596 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.446 -1.584 -0.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -8.544 -5.693 -2.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -8.886 -1.410 -2.448 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -7.942 -3.467 -3.478 1.00 0.00 H new ATOM 232 N LEU A 13 -10.682 -0.280 1.648 1.00 0.00 N ATOM 233 CA LEU A 13 -9.932 0.815 1.053 1.00 0.00 C ATOM 234 C LEU A 13 -9.342 1.707 2.132 1.00 0.00 C ATOM 235 O LEU A 13 -8.567 2.609 1.836 1.00 0.00 O ATOM 236 CB LEU A 13 -10.828 1.633 0.121 1.00 0.00 C ATOM 237 CG LEU A 13 -10.094 2.662 -0.743 1.00 0.00 C ATOM 238 CD1 LEU A 13 -9.882 2.124 -2.150 1.00 0.00 C ATOM 239 CD2 LEU A 13 -10.866 3.974 -0.783 1.00 0.00 C ATOM 0 H LEU A 13 -11.629 -0.037 1.939 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.115 0.392 0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.366 0.948 -0.534 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.575 2.152 0.722 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.118 2.851 -0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.359 2.869 -2.749 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.287 1.212 -2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.848 1.905 -2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.329 4.693 -1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -11.856 3.801 -1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.966 4.368 0.228 1.00 0.00 H new ATOM 251 N SER A 14 -9.686 1.442 3.389 1.00 0.00 N ATOM 252 CA SER A 14 -9.142 2.226 4.484 1.00 0.00 C ATOM 253 C SER A 14 -7.842 1.606 4.938 1.00 0.00 C ATOM 254 O SER A 14 -6.859 2.297 5.175 1.00 0.00 O ATOM 255 CB SER A 14 -10.118 2.312 5.659 1.00 0.00 C ATOM 256 OG SER A 14 -10.153 3.619 6.201 1.00 0.00 O ATOM 0 H SER A 14 -10.329 0.701 3.668 1.00 0.00 H new ATOM 0 HA SER A 14 -8.970 3.241 4.127 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.116 2.026 5.328 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.824 1.603 6.432 1.00 0.00 H new ATOM 0 HG SER A 14 -10.786 3.646 6.949 1.00 0.00 H new ATOM 262 N LEU A 15 -7.855 0.290 5.053 1.00 0.00 N ATOM 263 CA LEU A 15 -6.691 -0.451 5.459 1.00 0.00 C ATOM 264 C LEU A 15 -5.798 -0.749 4.273 1.00 0.00 C ATOM 265 O LEU A 15 -4.642 -0.333 4.233 1.00 0.00 O ATOM 266 CB LEU A 15 -7.134 -1.737 6.135 1.00 0.00 C ATOM 267 CG LEU A 15 -8.123 -1.532 7.273 1.00 0.00 C ATOM 268 CD1 LEU A 15 -7.811 -0.256 8.037 1.00 0.00 C ATOM 269 CD2 LEU A 15 -9.516 -1.475 6.700 1.00 0.00 C ATOM 0 H LEU A 15 -8.675 -0.287 4.866 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.112 0.148 6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.586 -2.390 5.389 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.255 -2.254 6.520 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.046 -2.364 7.973 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.531 -0.131 8.846 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.805 -0.318 8.453 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.872 0.597 7.361 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.235 -1.328 7.506 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.586 -0.646 5.996 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.735 -2.409 6.184 1.00 0.00 H new ATOM 281 N ARG A 16 -6.342 -1.459 3.302 1.00 0.00 N ATOM 282 CA ARG A 16 -5.581 -1.807 2.099 1.00 0.00 C ATOM 283 C ARG A 16 -4.849 -0.603 1.538 1.00 0.00 C ATOM 284 O ARG A 16 -3.814 -0.736 0.889 1.00 0.00 O ATOM 285 CB ARG A 16 -6.498 -2.387 1.028 1.00 0.00 C ATOM 286 CG ARG A 16 -6.819 -3.858 1.221 1.00 0.00 C ATOM 287 CD ARG A 16 -5.561 -4.688 1.412 1.00 0.00 C ATOM 288 NE ARG A 16 -5.804 -6.111 1.190 1.00 0.00 N ATOM 289 CZ ARG A 16 -4.843 -7.001 0.958 1.00 0.00 C ATOM 290 NH1 ARG A 16 -3.572 -6.620 0.917 1.00 0.00 N ATOM 291 NH2 ARG A 16 -5.152 -8.277 0.765 1.00 0.00 N ATOM 0 H ARG A 16 -7.301 -1.808 3.314 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.845 -2.557 2.389 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.429 -1.821 1.016 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.031 -2.253 0.052 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -7.469 -3.978 2.088 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.370 -4.227 0.356 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.790 -4.341 0.724 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.178 -4.539 2.422 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.768 -6.442 1.214 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.328 -5.641 1.064 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.839 -7.307 0.739 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.127 -8.576 0.794 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.415 -8.959 0.587 1.00 0.00 H new ATOM 305 N ASN A 17 -5.409 0.563 1.793 1.00 0.00 N ATOM 306 CA ASN A 17 -4.853 1.816 1.331 1.00 0.00 C ATOM 307 C ASN A 17 -3.490 2.086 1.974 1.00 0.00 C ATOM 308 O ASN A 17 -2.453 1.855 1.356 1.00 0.00 O ATOM 309 CB ASN A 17 -5.837 2.925 1.650 1.00 0.00 C ATOM 310 CG ASN A 17 -6.538 3.462 0.428 1.00 0.00 C ATOM 311 OD1 ASN A 17 -6.369 2.950 -0.680 1.00 0.00 O ATOM 312 ND2 ASN A 17 -7.333 4.498 0.628 1.00 0.00 N ATOM 0 H ASN A 17 -6.269 0.667 2.331 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.691 1.769 0.254 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.581 2.551 2.354 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.309 3.739 2.146 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.841 4.910 -0.155 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.439 4.886 1.565 1.00 0.00 H new ATOM 319 N PRO A 18 -3.455 2.579 3.229 1.00 0.00 N ATOM 320 CA PRO A 18 -2.216 2.862 3.913 1.00 0.00 C ATOM 321 C PRO A 18 -1.289 1.669 3.927 1.00 0.00 C ATOM 322 O PRO A 18 -0.088 1.793 4.170 1.00 0.00 O ATOM 323 CB PRO A 18 -2.631 3.214 5.340 1.00 0.00 C ATOM 324 CG PRO A 18 -4.021 2.729 5.443 1.00 0.00 C ATOM 325 CD PRO A 18 -4.584 2.905 4.075 1.00 0.00 C ATOM 0 HA PRO A 18 -1.668 3.662 3.415 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -1.985 2.731 6.073 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.569 4.287 5.519 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.054 1.685 5.754 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.586 3.299 6.180 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.430 2.242 3.896 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.936 3.923 3.908 1.00 0.00 H new ATOM 333 N ILE A 19 -1.864 0.507 3.682 1.00 0.00 N ATOM 334 CA ILE A 19 -1.093 -0.726 3.685 1.00 0.00 C ATOM 335 C ILE A 19 -0.217 -0.838 2.454 1.00 0.00 C ATOM 336 O ILE A 19 0.939 -1.223 2.545 1.00 0.00 O ATOM 337 CB ILE A 19 -2.002 -1.968 3.804 1.00 0.00 C ATOM 338 CG1 ILE A 19 -2.612 -2.018 5.211 1.00 0.00 C ATOM 339 CG2 ILE A 19 -1.223 -3.246 3.500 1.00 0.00 C ATOM 340 CD1 ILE A 19 -3.048 -3.400 5.655 1.00 0.00 C ATOM 0 H ILE A 19 -2.857 0.389 3.479 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.449 -0.690 4.564 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.805 -1.894 3.070 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.883 -1.634 5.924 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.473 -1.350 5.245 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.886 -4.106 3.591 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.827 -3.198 2.486 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.399 -3.347 4.207 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.467 -3.344 6.660 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.803 -3.782 4.968 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.188 -4.070 5.658 1.00 0.00 H new ATOM 352 N LEU A 20 -0.762 -0.449 1.321 1.00 0.00 N ATOM 353 CA LEU A 20 -0.017 -0.481 0.066 1.00 0.00 C ATOM 354 C LEU A 20 1.085 0.527 0.167 1.00 0.00 C ATOM 355 O LEU A 20 2.230 0.280 -0.205 1.00 0.00 O ATOM 356 CB LEU A 20 -0.911 -0.196 -1.142 1.00 0.00 C ATOM 357 CG LEU A 20 -1.425 1.236 -1.273 1.00 0.00 C ATOM 358 CD1 LEU A 20 -0.975 1.858 -2.586 1.00 0.00 C ATOM 359 CD2 LEU A 20 -2.932 1.248 -1.163 1.00 0.00 C ATOM 0 H LEU A 20 -1.719 -0.106 1.236 1.00 0.00 H new ATOM 0 HA LEU A 20 0.389 -1.480 -0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.356 -0.446 -2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.769 -0.866 -1.100 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.006 1.834 -0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.354 2.878 -2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.114 1.872 -2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.362 1.270 -3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.296 2.271 -1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.360 0.637 -1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.229 0.845 -0.195 1.00 0.00 H new ATOM 371 N VAL A 21 0.729 1.641 0.769 1.00 0.00 N ATOM 372 CA VAL A 21 1.645 2.686 1.038 1.00 0.00 C ATOM 373 C VAL A 21 2.780 2.127 1.856 1.00 0.00 C ATOM 374 O VAL A 21 3.955 2.260 1.526 1.00 0.00 O ATOM 375 CB VAL A 21 0.946 3.703 1.900 1.00 0.00 C ATOM 376 CG1 VAL A 21 1.956 4.416 2.756 1.00 0.00 C ATOM 377 CG2 VAL A 21 0.108 4.637 1.055 1.00 0.00 C ATOM 0 H VAL A 21 -0.222 1.832 1.083 1.00 0.00 H new ATOM 0 HA VAL A 21 2.005 3.122 0.107 1.00 0.00 H new ATOM 0 HB VAL A 21 0.249 3.205 2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.449 5.152 3.380 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.469 3.694 3.391 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.683 4.919 2.118 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.388 5.364 1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.749 5.159 0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.642 4.062 0.512 1.00 0.00 H new ATOM 387 N PHE A 22 2.364 1.475 2.939 1.00 0.00 N ATOM 388 CA PHE A 22 3.258 0.853 3.871 1.00 0.00 C ATOM 389 C PHE A 22 4.198 -0.063 3.126 1.00 0.00 C ATOM 390 O PHE A 22 5.342 -0.256 3.520 1.00 0.00 O ATOM 391 CB PHE A 22 2.411 0.096 4.866 1.00 0.00 C ATOM 392 CG PHE A 22 2.931 -1.236 5.127 1.00 0.00 C ATOM 393 CD1 PHE A 22 4.123 -1.381 5.762 1.00 0.00 C ATOM 394 CD2 PHE A 22 2.238 -2.322 4.698 1.00 0.00 C ATOM 395 CE1 PHE A 22 4.642 -2.626 5.979 1.00 0.00 C ATOM 396 CE2 PHE A 22 2.729 -3.582 4.907 1.00 0.00 C ATOM 397 CZ PHE A 22 3.941 -3.741 5.551 1.00 0.00 C ATOM 0 H PHE A 22 1.379 1.371 3.184 1.00 0.00 H new ATOM 0 HA PHE A 22 3.869 1.586 4.398 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.364 0.655 5.800 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.391 0.019 4.489 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.663 -0.508 6.097 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.294 -2.191 4.189 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.592 -2.740 6.480 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.174 -4.445 4.571 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.340 -4.730 5.720 1.00 0.00 H new ATOM 407 N LEU A 23 3.712 -0.595 2.024 1.00 0.00 N ATOM 408 CA LEU A 23 4.562 -1.472 1.196 1.00 0.00 C ATOM 409 C LEU A 23 5.383 -0.635 0.245 1.00 0.00 C ATOM 410 O LEU A 23 6.508 -0.978 -0.117 1.00 0.00 O ATOM 411 CB LEU A 23 3.748 -2.460 0.377 1.00 0.00 C ATOM 412 CG LEU A 23 3.045 -3.549 1.171 1.00 0.00 C ATOM 413 CD1 LEU A 23 1.589 -3.189 1.295 1.00 0.00 C ATOM 414 CD2 LEU A 23 3.216 -4.903 0.499 1.00 0.00 C ATOM 0 H LEU A 23 2.764 -0.451 1.675 1.00 0.00 H new ATOM 0 HA LEU A 23 5.200 -2.032 1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.998 -1.906 -0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.409 -2.934 -0.349 1.00 0.00 H new ATOM 0 HG LEU A 23 3.487 -3.623 2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.070 -3.961 1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.493 -2.234 1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.148 -3.111 0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.705 -5.667 1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.789 -4.868 -0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.277 -5.145 0.434 1.00 0.00 H new ATOM 426 N LYS A 24 4.791 0.466 -0.147 1.00 0.00 N ATOM 427 CA LYS A 24 5.398 1.399 -1.055 1.00 0.00 C ATOM 428 C LYS A 24 6.597 2.052 -0.410 1.00 0.00 C ATOM 429 O LYS A 24 7.647 2.218 -1.026 1.00 0.00 O ATOM 430 CB LYS A 24 4.344 2.426 -1.430 1.00 0.00 C ATOM 431 CG LYS A 24 3.938 2.346 -2.873 1.00 0.00 C ATOM 432 CD LYS A 24 2.537 1.781 -3.003 1.00 0.00 C ATOM 433 CE LYS A 24 2.371 0.980 -4.284 1.00 0.00 C ATOM 434 NZ LYS A 24 2.609 1.813 -5.495 1.00 0.00 N ATOM 0 H LYS A 24 3.859 0.741 0.163 1.00 0.00 H new ATOM 0 HA LYS A 24 5.754 0.892 -1.952 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.465 2.283 -0.802 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.726 3.425 -1.220 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.979 3.338 -3.323 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.641 1.718 -3.420 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.320 1.145 -2.145 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.813 2.596 -2.987 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.065 0.140 -4.279 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.365 0.562 -4.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.388 1.259 -6.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.000 2.655 -5.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.606 2.108 -5.523 1.00 0.00 H new ATOM 448 N THR A 25 6.416 2.395 0.847 1.00 0.00 N ATOM 449 CA THR A 25 7.444 3.018 1.643 1.00 0.00 C ATOM 450 C THR A 25 8.528 2.013 1.979 1.00 0.00 C ATOM 451 O THR A 25 9.713 2.306 1.874 1.00 0.00 O ATOM 452 CB THR A 25 6.837 3.575 2.927 1.00 0.00 C ATOM 453 OG1 THR A 25 7.850 3.941 3.847 1.00 0.00 O ATOM 454 CG2 THR A 25 5.913 2.594 3.619 1.00 0.00 C ATOM 0 H THR A 25 5.540 2.246 1.348 1.00 0.00 H new ATOM 0 HA THR A 25 7.886 3.834 1.072 1.00 0.00 H new ATOM 0 HB THR A 25 6.256 4.445 2.622 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.439 4.297 4.662 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.513 3.048 4.525 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.092 2.334 2.951 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.468 1.693 3.879 1.00 0.00 H new ATOM 462 N ARG A 26 8.123 0.811 2.368 1.00 0.00 N ATOM 463 CA ARG A 26 9.090 -0.224 2.687 1.00 0.00 C ATOM 464 C ARG A 26 10.018 -0.435 1.501 1.00 0.00 C ATOM 465 O ARG A 26 11.229 -0.566 1.646 1.00 0.00 O ATOM 466 CB ARG A 26 8.358 -1.518 3.005 1.00 0.00 C ATOM 467 CG ARG A 26 7.721 -1.541 4.386 1.00 0.00 C ATOM 468 CD ARG A 26 8.634 -0.943 5.440 1.00 0.00 C ATOM 469 NE ARG A 26 8.151 -1.197 6.796 1.00 0.00 N ATOM 470 CZ ARG A 26 7.202 -0.480 7.392 1.00 0.00 C ATOM 471 NH1 ARG A 26 6.630 0.536 6.758 1.00 0.00 N ATOM 472 NH2 ARG A 26 6.823 -0.780 8.627 1.00 0.00 N ATOM 0 H ARG A 26 7.147 0.534 2.468 1.00 0.00 H new ATOM 0 HA ARG A 26 9.678 0.079 3.553 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.583 -1.680 2.255 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.058 -2.350 2.924 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.782 -0.987 4.362 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.478 -2.569 4.657 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.636 -1.358 5.329 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.715 0.132 5.280 1.00 0.00 H new ATOM 0 HE ARG A 26 8.566 -1.970 7.316 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.917 0.771 5.808 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.903 1.082 7.221 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.259 -1.560 9.119 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.096 -0.231 9.085 1.00 0.00 H new ATOM 486 N VAL A 27 9.410 -0.431 0.328 1.00 0.00 N ATOM 487 CA VAL A 27 10.096 -0.597 -0.936 1.00 0.00 C ATOM 488 C VAL A 27 10.848 0.678 -1.311 1.00 0.00 C ATOM 489 O VAL A 27 11.767 0.658 -2.124 1.00 0.00 O ATOM 490 CB VAL A 27 9.042 -0.899 -2.010 1.00 0.00 C ATOM 491 CG1 VAL A 27 9.416 -0.287 -3.339 1.00 0.00 C ATOM 492 CG2 VAL A 27 8.812 -2.396 -2.131 1.00 0.00 C ATOM 0 H VAL A 27 8.402 -0.309 0.228 1.00 0.00 H new ATOM 0 HA VAL A 27 10.818 -1.410 -0.858 1.00 0.00 H new ATOM 0 HB VAL A 27 8.104 -0.440 -1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.648 -0.521 -4.076 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.499 0.795 -3.231 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.372 -0.693 -3.670 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.061 -2.588 -2.898 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.746 -2.886 -2.406 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.464 -2.789 -1.176 1.00 0.00 H new ATOM 502 N LEU A 28 10.431 1.777 -0.700 1.00 0.00 N ATOM 503 CA LEU A 28 11.000 3.078 -0.918 1.00 0.00 C ATOM 504 C LEU A 28 12.224 3.219 -0.057 1.00 0.00 C ATOM 505 O LEU A 28 13.302 3.556 -0.527 1.00 0.00 O ATOM 506 CB LEU A 28 9.931 4.132 -0.581 1.00 0.00 C ATOM 507 CG LEU A 28 10.101 4.905 0.732 1.00 0.00 C ATOM 508 CD1 LEU A 28 11.425 5.656 0.771 1.00 0.00 C ATOM 509 CD2 LEU A 28 8.944 5.873 0.936 1.00 0.00 C ATOM 0 H LEU A 28 9.668 1.778 -0.024 1.00 0.00 H new ATOM 0 HA LEU A 28 11.304 3.217 -1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 28 9.899 4.854 -1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.961 3.635 -0.557 1.00 0.00 H new ATOM 0 HG LEU A 28 10.103 4.177 1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.511 6.192 1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 28 12.248 4.947 0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.465 6.367 -0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.082 6.413 1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.914 6.583 0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.007 5.317 0.972 1.00 0.00 H new ATOM 521 N LYS A 29 12.033 2.914 1.208 1.00 0.00 N ATOM 522 CA LYS A 29 13.109 2.967 2.179 1.00 0.00 C ATOM 523 C LYS A 29 14.130 1.908 1.835 1.00 0.00 C ATOM 524 O LYS A 29 15.313 2.034 2.137 1.00 0.00 O ATOM 525 CB LYS A 29 12.580 2.789 3.609 1.00 0.00 C ATOM 526 CG LYS A 29 12.207 1.358 3.971 1.00 0.00 C ATOM 527 CD LYS A 29 11.831 1.236 5.440 1.00 0.00 C ATOM 528 CE LYS A 29 12.452 0.003 6.075 1.00 0.00 C ATOM 529 NZ LYS A 29 13.899 0.198 6.369 1.00 0.00 N ATOM 0 H LYS A 29 11.134 2.624 1.593 1.00 0.00 H new ATOM 0 HA LYS A 29 13.581 3.949 2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 29 13.337 3.142 4.309 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.704 3.424 3.740 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.372 1.031 3.352 1.00 0.00 H new ATOM 0 HG3 LYS A 29 13.045 0.696 3.752 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.160 2.127 5.976 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.746 1.188 5.536 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.923 -0.235 6.998 1.00 0.00 H new ATOM 0 HE3 LYS A 29 12.329 -0.850 5.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.285 -0.666 6.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 14.409 0.400 5.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.015 0.996 7.026 1.00 0.00 H new ATOM 543 N ARG A 30 13.650 0.890 1.145 1.00 0.00 N ATOM 544 CA ARG A 30 14.473 -0.189 0.682 1.00 0.00 C ATOM 545 C ARG A 30 15.203 0.275 -0.558 1.00 0.00 C ATOM 546 O ARG A 30 16.336 -0.113 -0.817 1.00 0.00 O ATOM 547 CB ARG A 30 13.581 -1.374 0.375 1.00 0.00 C ATOM 548 CG ARG A 30 13.320 -2.235 1.584 1.00 0.00 C ATOM 549 CD ARG A 30 13.960 -3.608 1.456 1.00 0.00 C ATOM 550 NE ARG A 30 13.596 -4.268 0.204 1.00 0.00 N ATOM 551 CZ ARG A 30 14.190 -5.368 -0.253 1.00 0.00 C ATOM 552 NH1 ARG A 30 15.175 -5.934 0.434 1.00 0.00 N ATOM 553 NH2 ARG A 30 13.798 -5.905 -1.401 1.00 0.00 N ATOM 0 H ARG A 30 12.666 0.797 0.893 1.00 0.00 H new ATOM 0 HA ARG A 30 15.204 -0.487 1.434 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.631 -1.015 -0.022 1.00 0.00 H new ATOM 0 HB3 ARG A 30 14.044 -1.980 -0.404 1.00 0.00 H new ATOM 0 HG2 ARG A 30 13.706 -1.737 2.474 1.00 0.00 H new ATOM 0 HG3 ARG A 30 12.245 -2.348 1.723 1.00 0.00 H new ATOM 0 HD2 ARG A 30 15.044 -3.509 1.512 1.00 0.00 H new ATOM 0 HD3 ARG A 30 13.653 -4.231 2.296 1.00 0.00 H new ATOM 0 HE ARG A 30 12.843 -3.862 -0.352 1.00 0.00 H new ATOM 0 HH11 ARG A 30 15.481 -5.526 1.317 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.626 -6.777 0.078 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.042 -5.475 -1.933 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.253 -6.748 -1.751 1.00 0.00 H new ATOM 567 N TRP A 31 14.529 1.162 -1.278 1.00 0.00 N ATOM 568 CA TRP A 31 15.025 1.782 -2.449 1.00 0.00 C ATOM 569 C TRP A 31 16.060 2.791 -2.020 1.00 0.00 C ATOM 570 O TRP A 31 17.148 2.878 -2.587 1.00 0.00 O ATOM 571 CB TRP A 31 13.858 2.440 -3.127 1.00 0.00 C ATOM 572 CG TRP A 31 13.682 1.923 -4.459 1.00 0.00 C ATOM 573 CD1 TRP A 31 12.893 0.936 -4.827 1.00 0.00 C ATOM 574 CD2 TRP A 31 14.370 2.349 -5.570 1.00 0.00 C ATOM 575 NE1 TRP A 31 13.019 0.715 -6.168 1.00 0.00 N ATOM 576 CE2 TRP A 31 13.941 1.598 -6.651 1.00 0.00 C ATOM 577 CE3 TRP A 31 15.301 3.318 -5.717 1.00 0.00 C ATOM 578 CZ2 TRP A 31 14.436 1.795 -7.920 1.00 0.00 C ATOM 579 CZ3 TRP A 31 15.824 3.546 -6.976 1.00 0.00 C ATOM 580 CH2 TRP A 31 15.385 2.780 -8.077 1.00 0.00 C ATOM 0 H TRP A 31 13.587 1.465 -1.033 1.00 0.00 H new ATOM 0 HA TRP A 31 15.488 1.080 -3.142 1.00 0.00 H new ATOM 0 HB2 TRP A 31 12.952 2.273 -2.545 1.00 0.00 H new ATOM 0 HB3 TRP A 31 14.016 3.518 -3.168 1.00 0.00 H new ATOM 0 HD1 TRP A 31 12.242 0.383 -4.166 1.00 0.00 H new ATOM 0 HE1 TRP A 31 12.514 0.015 -6.712 1.00 0.00 H new ATOM 0 HE3 TRP A 31 15.629 3.901 -4.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 14.095 1.203 -8.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 16.571 4.313 -7.118 1.00 0.00 H new ATOM 0 HH2 TRP A 31 15.799 2.969 -9.056 1.00 0.00 H new ATOM 591 N ARG A 32 15.721 3.507 -0.944 1.00 0.00 N ATOM 592 CA ARG A 32 16.606 4.464 -0.347 1.00 0.00 C ATOM 593 C ARG A 32 17.860 3.736 0.081 1.00 0.00 C ATOM 594 O ARG A 32 18.978 4.082 -0.288 1.00 0.00 O ATOM 595 CB ARG A 32 15.891 5.008 0.860 1.00 0.00 C ATOM 596 CG ARG A 32 14.624 5.756 0.503 1.00 0.00 C ATOM 597 CD ARG A 32 14.936 7.123 -0.038 1.00 0.00 C ATOM 598 NE ARG A 32 15.325 8.063 1.011 1.00 0.00 N ATOM 599 CZ ARG A 32 14.456 8.716 1.780 1.00 0.00 C ATOM 600 NH1 ARG A 32 13.151 8.531 1.625 1.00 0.00 N ATOM 601 NH2 ARG A 32 14.894 9.556 2.708 1.00 0.00 N ATOM 0 H ARG A 32 14.819 3.426 -0.475 1.00 0.00 H new ATOM 0 HA ARG A 32 16.875 5.269 -1.031 1.00 0.00 H new ATOM 0 HB2 ARG A 32 15.645 4.186 1.532 1.00 0.00 H new ATOM 0 HB3 ARG A 32 16.560 5.675 1.403 1.00 0.00 H new ATOM 0 HG2 ARG A 32 14.060 5.189 -0.237 1.00 0.00 H new ATOM 0 HG3 ARG A 32 13.991 5.847 1.386 1.00 0.00 H new ATOM 0 HD2 ARG A 32 15.740 7.046 -0.769 1.00 0.00 H new ATOM 0 HD3 ARG A 32 14.063 7.510 -0.564 1.00 0.00 H new ATOM 0 HE ARG A 32 16.320 8.229 1.163 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.808 7.885 0.913 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.491 9.034 2.217 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.896 9.701 2.832 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.229 10.057 3.297 1.00 0.00 H new ATOM 615 N LEU A 33 17.604 2.686 0.837 1.00 0.00 N ATOM 616 CA LEU A 33 18.585 1.785 1.361 1.00 0.00 C ATOM 617 C LEU A 33 19.379 1.161 0.255 1.00 0.00 C ATOM 618 O LEU A 33 20.597 1.020 0.320 1.00 0.00 O ATOM 619 CB LEU A 33 17.783 0.725 2.083 1.00 0.00 C ATOM 620 CG LEU A 33 17.394 1.071 3.506 1.00 0.00 C ATOM 621 CD1 LEU A 33 18.113 0.184 4.510 1.00 0.00 C ATOM 622 CD2 LEU A 33 17.659 2.539 3.776 1.00 0.00 C ATOM 0 H LEU A 33 16.654 2.435 1.110 1.00 0.00 H new ATOM 0 HA LEU A 33 19.297 2.292 2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.875 0.527 1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 33 18.360 -0.200 2.095 1.00 0.00 H new ATOM 0 HG LEU A 33 16.326 0.886 3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 33 17.811 0.459 5.520 1.00 0.00 H new ATOM 0 HD12 LEU A 33 17.854 -0.859 4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 33 19.190 0.315 4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 33 17.376 2.777 4.801 1.00 0.00 H new ATOM 0 HD22 LEU A 33 18.719 2.750 3.634 1.00 0.00 H new ATOM 0 HD23 LEU A 33 17.073 3.147 3.087 1.00 0.00 H new ATOM 634 N PHE A 34 18.652 0.828 -0.771 1.00 0.00 N ATOM 635 CA PHE A 34 19.223 0.235 -1.955 1.00 0.00 C ATOM 636 C PHE A 34 20.035 1.269 -2.662 1.00 0.00 C ATOM 637 O PHE A 34 20.943 0.975 -3.438 1.00 0.00 O ATOM 638 CB PHE A 34 18.121 -0.293 -2.833 1.00 0.00 C ATOM 639 CG PHE A 34 17.971 -1.744 -2.684 1.00 0.00 C ATOM 640 CD1 PHE A 34 18.162 -2.299 -1.450 1.00 0.00 C ATOM 641 CD2 PHE A 34 17.670 -2.544 -3.755 1.00 0.00 C ATOM 642 CE1 PHE A 34 18.054 -3.648 -1.268 1.00 0.00 C ATOM 643 CE2 PHE A 34 17.558 -3.901 -3.593 1.00 0.00 C ATOM 644 CZ PHE A 34 17.752 -4.464 -2.344 1.00 0.00 C ATOM 0 H PHE A 34 17.641 0.959 -0.815 1.00 0.00 H new ATOM 0 HA PHE A 34 19.872 -0.601 -1.693 1.00 0.00 H new ATOM 0 HB2 PHE A 34 17.183 0.200 -2.579 1.00 0.00 H new ATOM 0 HB3 PHE A 34 18.336 -0.052 -3.874 1.00 0.00 H new ATOM 0 HD1 PHE A 34 18.401 -1.664 -0.610 1.00 0.00 H new ATOM 0 HD2 PHE A 34 17.520 -2.104 -4.730 1.00 0.00 H new ATOM 0 HE1 PHE A 34 18.204 -4.076 -0.288 1.00 0.00 H new ATOM 0 HE2 PHE A 34 17.319 -4.529 -4.438 1.00 0.00 H new ATOM 0 HZ PHE A 34 17.668 -5.532 -2.210 1.00 0.00 H new ATOM 654 N SER A 35 19.693 2.495 -2.346 1.00 0.00 N ATOM 655 CA SER A 35 20.396 3.646 -2.923 1.00 0.00 C ATOM 656 C SER A 35 21.513 4.137 -2.000 1.00 0.00 C ATOM 657 O SER A 35 22.492 4.717 -2.469 1.00 0.00 O ATOM 658 CB SER A 35 19.447 4.805 -3.249 1.00 0.00 C ATOM 659 OG SER A 35 19.648 5.262 -4.575 1.00 0.00 O ATOM 0 H SER A 35 18.941 2.734 -1.700 1.00 0.00 H new ATOM 0 HA SER A 35 20.835 3.297 -3.858 1.00 0.00 H new ATOM 0 HB2 SER A 35 18.414 4.481 -3.124 1.00 0.00 H new ATOM 0 HB3 SER A 35 19.612 5.624 -2.548 1.00 0.00 H new ATOM 0 HG SER A 35 19.032 6.000 -4.764 1.00 0.00 H new ATOM 665 N LYS A 36 21.377 3.908 -0.692 1.00 0.00 N ATOM 666 CA LYS A 36 22.404 4.345 0.251 1.00 0.00 C ATOM 667 C LYS A 36 23.520 3.325 0.340 1.00 0.00 C ATOM 668 O LYS A 36 24.702 3.668 0.386 1.00 0.00 O ATOM 669 CB LYS A 36 21.821 4.584 1.649 1.00 0.00 C ATOM 670 CG LYS A 36 20.483 5.297 1.665 1.00 0.00 C ATOM 671 CD LYS A 36 20.411 6.414 0.631 1.00 0.00 C ATOM 672 CE LYS A 36 19.037 7.065 0.608 1.00 0.00 C ATOM 673 NZ LYS A 36 18.945 8.206 1.559 1.00 0.00 N ATOM 0 H LYS A 36 20.581 3.431 -0.269 1.00 0.00 H new ATOM 0 HA LYS A 36 22.803 5.287 -0.124 1.00 0.00 H new ATOM 0 HB2 LYS A 36 21.711 3.623 2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 36 22.535 5.167 2.231 1.00 0.00 H new ATOM 0 HG2 LYS A 36 19.688 4.577 1.474 1.00 0.00 H new ATOM 0 HG3 LYS A 36 20.306 5.712 2.657 1.00 0.00 H new ATOM 0 HD2 LYS A 36 21.168 7.166 0.854 1.00 0.00 H new ATOM 0 HD3 LYS A 36 20.641 6.013 -0.356 1.00 0.00 H new ATOM 0 HE2 LYS A 36 18.819 7.415 -0.401 1.00 0.00 H new ATOM 0 HE3 LYS A 36 18.280 6.322 0.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 18.068 8.127 2.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 19.763 8.189 2.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.940 9.101 1.029 1.00 0.00 H new ATOM 687 N HIS A 37 23.127 2.069 0.367 1.00 0.00 N ATOM 688 CA HIS A 37 24.075 0.968 0.458 1.00 0.00 C ATOM 689 C HIS A 37 24.915 0.853 -0.813 1.00 0.00 C ATOM 690 O HIS A 37 26.060 0.405 -0.772 1.00 0.00 O ATOM 691 CB HIS A 37 23.337 -0.344 0.721 1.00 0.00 C ATOM 692 CG HIS A 37 23.654 -0.946 2.053 1.00 0.00 C ATOM 693 ND1 HIS A 37 24.298 -2.157 2.203 1.00 0.00 N ATOM 694 CD2 HIS A 37 23.413 -0.492 3.305 1.00 0.00 C ATOM 695 CE1 HIS A 37 24.437 -2.422 3.490 1.00 0.00 C ATOM 696 NE2 HIS A 37 23.909 -1.427 4.179 1.00 0.00 N ATOM 0 H HIS A 37 22.150 1.779 0.327 1.00 0.00 H new ATOM 0 HA HIS A 37 24.748 1.173 1.290 1.00 0.00 H new ATOM 0 HB2 HIS A 37 22.263 -0.168 0.656 1.00 0.00 H new ATOM 0 HB3 HIS A 37 23.591 -1.058 -0.062 1.00 0.00 H new ATOM 0 HD2 HIS A 37 22.922 0.433 3.567 1.00 0.00 H new ATOM 0 HE1 HIS A 37 24.903 -3.302 3.907 1.00 0.00 H new ATOM 0 HE2 HIS A 37 23.875 -1.363 5.196 1.00 0.00 H new ATOM 705 N GLU A 38 24.337 1.251 -1.942 1.00 0.00 N ATOM 706 CA GLU A 38 25.032 1.187 -3.215 1.00 0.00 C ATOM 707 C GLU A 38 25.698 2.521 -3.541 1.00 0.00 C ATOM 708 O GLU A 38 24.997 3.555 -3.508 1.00 0.00 O ATOM 709 CB GLU A 38 24.050 0.807 -4.321 1.00 0.00 C ATOM 710 CG GLU A 38 23.953 -0.690 -4.558 1.00 0.00 C ATOM 711 CD GLU A 38 22.666 -1.087 -5.254 1.00 0.00 C ATOM 712 OE1 GLU A 38 22.234 -0.353 -6.166 1.00 0.00 O ATOM 713 OE2 GLU A 38 22.092 -2.133 -4.887 1.00 0.00 O ATOM 714 OXT GLU A 38 26.914 2.520 -3.825 1.00 0.00 O ATOM 0 H GLU A 38 23.388 1.621 -1.997 1.00 0.00 H new ATOM 0 HA GLU A 38 25.810 0.427 -3.146 1.00 0.00 H new ATOM 0 HB2 GLU A 38 23.062 1.191 -4.066 1.00 0.00 H new ATOM 0 HB3 GLU A 38 24.353 1.295 -5.248 1.00 0.00 H new ATOM 0 HG2 GLU A 38 24.802 -1.015 -5.159 1.00 0.00 H new ATOM 0 HG3 GLU A 38 24.021 -1.211 -3.603 1.00 0.00 H new