USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 466 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 7 ASN : amide:sc= -0.0925 X(o=-0.093,f=-0.47) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.333 K(o=0.33,f=-0.35) USER MOD Single : A 20 SER OG : rot 180:sc=-0.00955 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0608 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -179:sc= -1.17 (180deg=-1.19) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 80:sc= 1.22 USER MOD Single : A 40 GLN : amide:sc= 0.96 K(o=0.96,f=-2.6!) USER MOD Single : A 48 CYS SG : rot 59:sc= -1.43 USER MOD Single : A 49 SER OG : rot 34:sc= 0.811 USER MOD Single : A 51 HIS : no HE2:sc= 0.689 K(o=0.69,f=-6.1!) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 6 9.282 2.006 -20.329 1.00 25.00 N ATOM 81 CA LEU A 6 9.551 1.888 -21.760 1.00 25.00 C ATOM 82 C LEU A 6 8.267 2.107 -22.547 1.00 25.00 C ATOM 83 O LEU A 6 8.267 2.785 -23.568 1.00 25.00 O ATOM 84 CB LEU A 6 10.110 0.498 -22.078 1.00 25.00 C ATOM 85 CG LEU A 6 11.417 0.114 -21.369 1.00 25.00 C ATOM 86 CD1 LEU A 6 11.698 -1.359 -21.612 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.592 0.959 -21.845 1.00 25.00 C ATOM 0 HA LEU A 6 10.284 2.644 -22.042 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.352 -0.243 -21.823 1.00 25.00 H new ATOM 0 HB3 LEU A 6 10.272 0.432 -23.154 1.00 25.00 H new ATOM 0 HG LEU A 6 11.297 0.302 -20.302 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.625 -1.640 -21.112 1.00 25.00 H new ATOM 0 HD12 LEU A 6 10.877 -1.956 -21.216 1.00 25.00 H new ATOM 0 HD13 LEU A 6 11.795 -1.539 -22.683 1.00 25.00 H new ATOM 0 HD21 LEU A 6 13.496 0.654 -21.318 1.00 25.00 H new ATOM 0 HD22 LEU A 6 12.731 0.817 -22.917 1.00 25.00 H new ATOM 0 HD23 LEU A 6 12.390 2.011 -21.641 1.00 25.00 H new ATOM 99 N ASN A 7 7.183 1.522 -22.041 1.00 25.00 N ATOM 100 CA ASN A 7 5.846 1.632 -22.640 1.00 25.00 C ATOM 101 C ASN A 7 5.843 1.289 -24.136 1.00 25.00 C ATOM 102 O ASN A 7 5.150 1.909 -24.942 1.00 25.00 O ATOM 103 CB ASN A 7 5.268 3.031 -22.404 1.00 25.00 C ATOM 104 CG ASN A 7 3.772 3.073 -22.584 1.00 25.00 C ATOM 105 OD1 ASN A 7 3.055 2.230 -22.073 1.00 25.00 O ATOM 106 ND2 ASN A 7 3.295 4.058 -23.292 1.00 25.00 N ATOM 0 H ASN A 7 7.204 0.952 -21.196 1.00 25.00 H new ATOM 0 HA ASN A 7 5.211 0.897 -22.146 1.00 25.00 H new ATOM 0 HB2 ASN A 7 5.519 3.359 -21.395 1.00 25.00 H new ATOM 0 HB3 ASN A 7 5.734 3.735 -23.094 1.00 25.00 H new ATOM 0 HD21 ASN A 7 2.289 4.143 -23.435 1.00 25.00 H new ATOM 0 HD22 ASN A 7 3.928 4.744 -23.703 1.00 25.00 H new ATOM 113 N VAL A 8 6.624 0.282 -24.491 1.00 25.00 N ATOM 114 CA VAL A 8 6.680 -0.219 -25.861 1.00 25.00 C ATOM 115 C VAL A 8 5.826 -1.469 -25.838 1.00 25.00 C ATOM 116 O VAL A 8 5.435 -1.904 -24.770 1.00 25.00 O ATOM 117 CB VAL A 8 8.138 -0.542 -26.306 1.00 25.00 C ATOM 118 CG1 VAL A 8 8.970 0.742 -26.382 1.00 25.00 C ATOM 119 CG2 VAL A 8 8.810 -1.542 -25.350 1.00 25.00 C ATOM 0 H VAL A 8 7.237 -0.212 -23.842 1.00 25.00 H new ATOM 0 HA VAL A 8 6.323 0.521 -26.577 1.00 25.00 H new ATOM 0 HB VAL A 8 8.087 -0.998 -27.295 1.00 25.00 H new ATOM 0 HG11 VAL A 8 9.986 0.499 -26.694 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.521 1.424 -27.104 1.00 25.00 H new ATOM 0 HG13 VAL A 8 8.996 1.218 -25.402 1.00 25.00 H new ATOM 0 HG21 VAL A 8 9.825 -1.745 -25.690 1.00 25.00 H new ATOM 0 HG22 VAL A 8 8.841 -1.120 -24.345 1.00 25.00 H new ATOM 0 HG23 VAL A 8 8.240 -2.471 -25.336 1.00 25.00 H new ATOM 129 N LEU A 9 5.522 -2.055 -26.982 1.00 25.00 N ATOM 130 CA LEU A 9 4.683 -3.251 -27.010 1.00 25.00 C ATOM 131 C LEU A 9 5.283 -4.298 -27.918 1.00 25.00 C ATOM 132 O LEU A 9 6.045 -3.988 -28.840 1.00 25.00 O ATOM 133 CB LEU A 9 3.241 -2.929 -27.437 1.00 25.00 C ATOM 134 CG LEU A 9 3.033 -1.806 -28.465 1.00 25.00 C ATOM 135 CD1 LEU A 9 1.842 -2.136 -29.353 1.00 25.00 C ATOM 136 CD2 LEU A 9 2.786 -0.469 -27.746 1.00 25.00 C ATOM 0 H LEU A 9 5.837 -1.731 -27.897 1.00 25.00 H new ATOM 0 HA LEU A 9 4.643 -3.646 -25.995 1.00 25.00 H new ATOM 0 HB2 LEU A 9 2.800 -3.840 -27.842 1.00 25.00 H new ATOM 0 HB3 LEU A 9 2.676 -2.672 -26.541 1.00 25.00 H new ATOM 0 HG LEU A 9 3.930 -1.719 -29.079 1.00 25.00 H new ATOM 0 HD11 LEU A 9 1.698 -1.337 -30.080 1.00 25.00 H new ATOM 0 HD12 LEU A 9 2.027 -3.074 -29.876 1.00 25.00 H new ATOM 0 HD13 LEU A 9 0.946 -2.233 -28.739 1.00 25.00 H new ATOM 0 HD21 LEU A 9 2.640 0.320 -28.484 1.00 25.00 H new ATOM 0 HD22 LEU A 9 1.896 -0.551 -27.121 1.00 25.00 H new ATOM 0 HD23 LEU A 9 3.646 -0.227 -27.122 1.00 25.00 H new ATOM 148 N ALA A 10 4.962 -5.545 -27.621 1.00 25.00 N ATOM 149 CA ALA A 10 5.510 -6.678 -28.336 1.00 25.00 C ATOM 150 C ALA A 10 4.419 -7.683 -28.681 1.00 25.00 C ATOM 151 O ALA A 10 3.462 -7.856 -27.928 1.00 25.00 O ATOM 152 CB ALA A 10 6.573 -7.348 -27.477 1.00 25.00 C ATOM 0 H ALA A 10 4.313 -5.798 -26.876 1.00 25.00 H new ATOM 0 HA ALA A 10 5.954 -6.323 -29.266 1.00 25.00 H new ATOM 0 HB1 ALA A 10 6.988 -8.202 -28.012 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.368 -6.635 -27.260 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.125 -7.688 -26.543 1.00 25.00 H new ATOM 158 N LYS A 11 4.605 -8.381 -29.791 1.00 25.00 N ATOM 159 CA LYS A 11 3.716 -9.475 -30.172 1.00 25.00 C ATOM 160 C LYS A 11 4.341 -10.762 -29.681 1.00 25.00 C ATOM 161 O LYS A 11 5.527 -10.998 -29.922 1.00 25.00 O ATOM 162 CB LYS A 11 3.539 -9.544 -31.692 1.00 25.00 C ATOM 163 CG LYS A 11 2.546 -10.639 -32.121 1.00 25.00 C ATOM 164 CD LYS A 11 2.214 -10.597 -33.607 1.00 25.00 C ATOM 165 CE LYS A 11 3.359 -11.127 -34.464 1.00 25.00 C ATOM 166 NZ LYS A 11 2.963 -11.146 -35.918 1.00 25.00 N ATOM 0 H LYS A 11 5.366 -8.210 -30.448 1.00 25.00 H new ATOM 0 HA LYS A 11 2.732 -9.316 -29.731 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.190 -8.578 -32.058 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.506 -9.732 -32.159 1.00 25.00 H new ATOM 0 HG2 LYS A 11 2.963 -11.616 -31.876 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.626 -10.532 -31.546 1.00 25.00 H new ATOM 0 HD2 LYS A 11 1.317 -11.188 -33.795 1.00 25.00 H new ATOM 0 HD3 LYS A 11 1.987 -9.572 -33.899 1.00 25.00 H new ATOM 0 HE2 LYS A 11 4.242 -10.502 -34.329 1.00 25.00 H new ATOM 0 HE3 LYS A 11 3.628 -12.133 -34.141 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 3.753 -11.509 -36.488 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 2.134 -11.761 -36.044 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 2.728 -10.181 -36.227 1.00 25.00 H new ATOM 180 N ALA A 12 3.565 -11.594 -29.013 1.00 25.00 N ATOM 181 CA ALA A 12 4.062 -12.884 -28.565 1.00 25.00 C ATOM 182 C ALA A 12 4.164 -13.820 -29.763 1.00 25.00 C ATOM 183 O ALA A 12 3.278 -13.876 -30.615 1.00 25.00 O ATOM 184 CB ALA A 12 3.149 -13.463 -27.507 1.00 25.00 C ATOM 0 H ALA A 12 2.593 -11.403 -28.769 1.00 25.00 H new ATOM 0 HA ALA A 12 5.050 -12.761 -28.121 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.535 -14.429 -27.182 1.00 25.00 H new ATOM 0 HB2 ALA A 12 3.104 -12.785 -26.655 1.00 25.00 H new ATOM 0 HB3 ALA A 12 2.149 -13.593 -27.921 1.00 25.00 H new ATOM 190 N LEU A 13 5.264 -14.548 -29.822 1.00 25.00 N ATOM 191 CA LEU A 13 5.534 -15.475 -30.911 1.00 25.00 C ATOM 192 C LEU A 13 5.118 -16.884 -30.500 1.00 25.00 C ATOM 193 O LEU A 13 4.884 -17.743 -31.340 1.00 25.00 O ATOM 194 CB LEU A 13 7.031 -15.448 -31.239 1.00 25.00 C ATOM 195 CG LEU A 13 7.614 -14.072 -31.617 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.130 -14.182 -31.741 1.00 25.00 C ATOM 197 CD2 LEU A 13 7.013 -13.543 -32.928 1.00 25.00 C ATOM 0 H LEU A 13 5.999 -14.515 -29.115 1.00 25.00 H new ATOM 0 HA LEU A 13 4.965 -15.180 -31.793 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.579 -15.828 -30.377 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.215 -16.137 -32.063 1.00 25.00 H new ATOM 0 HG LEU A 13 7.357 -13.363 -30.829 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.545 -13.210 -32.008 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.550 -14.506 -30.789 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.380 -14.908 -32.514 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.448 -12.571 -33.162 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.230 -14.242 -33.736 1.00 25.00 H new ATOM 0 HD23 LEU A 13 5.933 -13.440 -32.818 1.00 25.00 H new ATOM 209 N TYR A 14 5.017 -17.096 -29.195 1.00 25.00 N ATOM 210 CA TYR A 14 4.660 -18.396 -28.631 1.00 25.00 C ATOM 211 C TYR A 14 3.605 -18.186 -27.555 1.00 25.00 C ATOM 212 O TYR A 14 3.465 -17.080 -27.037 1.00 25.00 O ATOM 213 CB TYR A 14 5.891 -19.059 -28.014 1.00 25.00 C ATOM 214 CG TYR A 14 7.032 -19.233 -28.995 1.00 25.00 C ATOM 215 CD1 TYR A 14 8.028 -18.245 -29.122 1.00 25.00 C ATOM 216 CD2 TYR A 14 7.120 -20.381 -29.808 1.00 25.00 C ATOM 217 CE1 TYR A 14 9.094 -18.394 -30.044 1.00 25.00 C ATOM 218 CE2 TYR A 14 8.189 -20.534 -30.737 1.00 25.00 C ATOM 219 CZ TYR A 14 9.160 -19.533 -30.846 1.00 25.00 C ATOM 220 OH TYR A 14 10.187 -19.661 -31.744 1.00 25.00 O ATOM 0 H TYR A 14 5.180 -16.373 -28.495 1.00 25.00 H new ATOM 0 HA TYR A 14 4.273 -19.042 -29.419 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.234 -18.459 -27.171 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.610 -20.035 -27.618 1.00 25.00 H new ATOM 0 HD1 TYR A 14 7.978 -17.359 -28.506 1.00 25.00 H new ATOM 0 HD2 TYR A 14 6.369 -21.153 -29.726 1.00 25.00 H new ATOM 0 HE1 TYR A 14 9.852 -17.629 -30.125 1.00 25.00 H new ATOM 0 HE2 TYR A 14 8.249 -21.418 -31.354 1.00 25.00 H new ATOM 0 HH TYR A 14 10.095 -20.508 -32.227 1.00 25.00 H new ATOM 230 N ASP A 15 2.872 -19.237 -27.231 1.00 25.00 N ATOM 231 CA ASP A 15 1.858 -19.207 -26.178 1.00 25.00 C ATOM 232 C ASP A 15 2.419 -19.829 -24.910 1.00 25.00 C ATOM 233 O ASP A 15 3.394 -20.578 -24.960 1.00 25.00 O ATOM 234 CB ASP A 15 0.580 -19.946 -26.619 1.00 25.00 C ATOM 235 CG ASP A 15 0.854 -21.328 -27.204 1.00 25.00 C ATOM 236 OD1 ASP A 15 1.511 -21.404 -28.275 1.00 25.00 O ATOM 237 OD2 ASP A 15 0.282 -22.302 -26.699 1.00 25.00 O ATOM 0 H ASP A 15 2.960 -20.143 -27.691 1.00 25.00 H new ATOM 0 HA ASP A 15 1.592 -18.168 -25.982 1.00 25.00 H new ATOM 0 HB2 ASP A 15 -0.087 -20.047 -25.763 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.057 -19.342 -27.361 1.00 25.00 H new ATOM 242 N ASN A 16 1.836 -19.456 -23.779 1.00 25.00 N ATOM 243 CA ASN A 16 2.297 -19.898 -22.467 1.00 25.00 C ATOM 244 C ASN A 16 1.153 -19.843 -21.447 1.00 25.00 C ATOM 245 O ASN A 16 0.181 -19.109 -21.639 1.00 25.00 O ATOM 246 CB ASN A 16 3.413 -18.965 -22.006 1.00 25.00 C ATOM 247 CG ASN A 16 4.126 -19.473 -20.795 1.00 25.00 C ATOM 248 OD1 ASN A 16 4.553 -20.613 -20.758 1.00 25.00 O ATOM 249 ND2 ASN A 16 4.249 -18.644 -19.804 1.00 25.00 N ATOM 0 H ASN A 16 1.027 -18.836 -23.744 1.00 25.00 H new ATOM 0 HA ASN A 16 2.654 -20.925 -22.541 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.130 -18.834 -22.817 1.00 25.00 H new ATOM 0 HB3 ASN A 16 2.994 -17.982 -21.790 1.00 25.00 H new ATOM 0 HD21 ASN A 16 4.720 -18.938 -18.948 1.00 25.00 H new ATOM 0 HD22 ASN A 16 3.875 -17.698 -19.881 1.00 25.00 H new ATOM 256 N VAL A 17 1.300 -20.557 -20.342 1.00 25.00 N ATOM 257 CA VAL A 17 0.342 -20.504 -19.238 1.00 25.00 C ATOM 258 C VAL A 17 1.169 -20.091 -18.028 1.00 25.00 C ATOM 259 O VAL A 17 2.356 -20.377 -17.975 1.00 25.00 O ATOM 260 CB VAL A 17 -0.388 -21.882 -19.031 1.00 25.00 C ATOM 261 CG1 VAL A 17 0.589 -22.985 -18.581 1.00 25.00 C ATOM 262 CG2 VAL A 17 -1.539 -21.750 -18.022 1.00 25.00 C ATOM 0 H VAL A 17 2.084 -21.190 -20.181 1.00 25.00 H new ATOM 0 HA VAL A 17 -0.467 -19.798 -19.427 1.00 25.00 H new ATOM 0 HB VAL A 17 -0.801 -22.173 -19.997 1.00 25.00 H new ATOM 0 HG11 VAL A 17 0.046 -23.921 -18.449 1.00 25.00 H new ATOM 0 HG12 VAL A 17 1.362 -23.118 -19.338 1.00 25.00 H new ATOM 0 HG13 VAL A 17 1.052 -22.698 -17.637 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -2.027 -22.717 -17.898 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -1.145 -21.416 -17.062 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -2.263 -21.023 -18.389 1.00 25.00 H new ATOM 272 N ALA A 18 0.571 -19.356 -17.103 1.00 25.00 N ATOM 273 CA ALA A 18 1.297 -18.893 -15.932 1.00 25.00 C ATOM 274 C ALA A 18 1.270 -19.992 -14.870 1.00 25.00 C ATOM 275 O ALA A 18 0.209 -20.304 -14.332 1.00 25.00 O ATOM 276 CB ALA A 18 0.655 -17.614 -15.394 1.00 25.00 C ATOM 0 H ALA A 18 -0.407 -19.069 -17.140 1.00 25.00 H new ATOM 0 HA ALA A 18 2.331 -18.671 -16.198 1.00 25.00 H new ATOM 0 HB1 ALA A 18 1.204 -17.273 -14.516 1.00 25.00 H new ATOM 0 HB2 ALA A 18 0.683 -16.842 -16.163 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -0.380 -17.815 -15.119 1.00 25.00 H new ATOM 282 N GLU A 19 2.435 -20.537 -14.554 1.00 25.00 N ATOM 283 CA GLU A 19 2.559 -21.578 -13.524 1.00 25.00 C ATOM 284 C GLU A 19 2.883 -20.900 -12.197 1.00 25.00 C ATOM 285 O GLU A 19 2.882 -21.517 -11.132 1.00 25.00 O ATOM 286 CB GLU A 19 3.682 -22.556 -13.887 1.00 25.00 C ATOM 287 CG GLU A 19 3.402 -23.407 -15.123 1.00 25.00 C ATOM 288 CD GLU A 19 2.389 -24.520 -14.856 1.00 25.00 C ATOM 289 OE1 GLU A 19 1.166 -24.257 -14.916 1.00 25.00 O ATOM 290 OE2 GLU A 19 2.823 -25.669 -14.611 1.00 25.00 O ATOM 0 H GLU A 19 3.318 -20.279 -14.995 1.00 25.00 H new ATOM 0 HA GLU A 19 1.626 -22.136 -13.451 1.00 25.00 H new ATOM 0 HB2 GLU A 19 4.600 -21.992 -14.050 1.00 25.00 H new ATOM 0 HB3 GLU A 19 3.860 -23.217 -13.039 1.00 25.00 H new ATOM 0 HG2 GLU A 19 3.030 -22.767 -15.923 1.00 25.00 H new ATOM 0 HG3 GLU A 19 4.335 -23.847 -15.475 1.00 25.00 H new ATOM 297 N SER A 20 3.153 -19.607 -12.277 1.00 25.00 N ATOM 298 CA SER A 20 3.470 -18.794 -11.111 1.00 25.00 C ATOM 299 C SER A 20 2.593 -17.561 -11.150 1.00 25.00 C ATOM 300 O SER A 20 2.297 -17.052 -12.225 1.00 25.00 O ATOM 301 CB SER A 20 4.932 -18.363 -11.172 1.00 25.00 C ATOM 302 OG SER A 20 5.276 -17.505 -10.094 1.00 25.00 O ATOM 0 H SER A 20 3.159 -19.089 -13.155 1.00 25.00 H new ATOM 0 HA SER A 20 3.300 -19.363 -10.197 1.00 25.00 H new ATOM 0 HB2 SER A 20 5.572 -19.245 -11.152 1.00 25.00 H new ATOM 0 HB3 SER A 20 5.121 -17.853 -12.117 1.00 25.00 H new ATOM 0 HG SER A 20 6.220 -17.252 -10.166 1.00 25.00 H new ATOM 308 N PRO A 21 2.206 -17.020 -9.982 1.00 25.00 N ATOM 309 CA PRO A 21 1.432 -15.776 -10.043 1.00 25.00 C ATOM 310 C PRO A 21 2.262 -14.569 -10.489 1.00 25.00 C ATOM 311 O PRO A 21 1.719 -13.516 -10.796 1.00 25.00 O ATOM 312 CB PRO A 21 0.967 -15.607 -8.602 1.00 25.00 C ATOM 313 CG PRO A 21 2.044 -16.227 -7.795 1.00 25.00 C ATOM 314 CD PRO A 21 2.428 -17.446 -8.584 1.00 25.00 C ATOM 0 HA PRO A 21 0.627 -15.830 -10.776 1.00 25.00 H new ATOM 0 HB2 PRO A 21 0.834 -14.555 -8.348 1.00 25.00 H new ATOM 0 HB3 PRO A 21 0.009 -16.099 -8.433 1.00 25.00 H new ATOM 0 HG2 PRO A 21 2.889 -15.550 -7.668 1.00 25.00 H new ATOM 0 HG3 PRO A 21 1.694 -16.491 -6.797 1.00 25.00 H new ATOM 0 HD2 PRO A 21 3.466 -17.730 -8.408 1.00 25.00 H new ATOM 0 HD3 PRO A 21 1.813 -18.307 -8.322 1.00 25.00 H new ATOM 322 N ASP A 22 3.577 -14.743 -10.506 1.00 25.00 N ATOM 323 CA ASP A 22 4.510 -13.696 -10.925 1.00 25.00 C ATOM 324 C ASP A 22 4.685 -13.728 -12.446 1.00 25.00 C ATOM 325 O ASP A 22 5.229 -12.813 -13.056 1.00 25.00 O ATOM 326 CB ASP A 22 5.857 -13.963 -10.247 1.00 25.00 C ATOM 327 CG ASP A 22 6.748 -12.736 -10.185 1.00 25.00 C ATOM 328 OD1 ASP A 22 7.936 -12.915 -9.847 1.00 25.00 O ATOM 329 OD2 ASP A 22 6.264 -11.604 -10.380 1.00 25.00 O ATOM 0 H ASP A 22 4.031 -15.614 -10.230 1.00 25.00 H new ATOM 0 HA ASP A 22 4.126 -12.716 -10.641 1.00 25.00 H new ATOM 0 HB2 ASP A 22 5.681 -14.328 -9.235 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.377 -14.755 -10.786 1.00 25.00 H new ATOM 334 N GLU A 23 4.238 -14.815 -13.055 1.00 25.00 N ATOM 335 CA GLU A 23 4.368 -15.027 -14.488 1.00 25.00 C ATOM 336 C GLU A 23 3.101 -14.564 -15.199 1.00 25.00 C ATOM 337 O GLU A 23 1.998 -14.664 -14.660 1.00 25.00 O ATOM 338 CB GLU A 23 4.587 -16.517 -14.741 1.00 25.00 C ATOM 339 CG GLU A 23 5.047 -16.850 -16.139 1.00 25.00 C ATOM 340 CD GLU A 23 5.247 -18.341 -16.339 1.00 25.00 C ATOM 341 OE1 GLU A 23 4.767 -19.137 -15.495 1.00 25.00 O ATOM 342 OE2 GLU A 23 5.875 -18.724 -17.352 1.00 25.00 O ATOM 0 H GLU A 23 3.772 -15.579 -12.566 1.00 25.00 H new ATOM 0 HA GLU A 23 5.213 -14.455 -14.872 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.325 -16.889 -14.030 1.00 25.00 H new ATOM 0 HB3 GLU A 23 3.656 -17.048 -14.542 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.313 -16.484 -16.857 1.00 25.00 H new ATOM 0 HG3 GLU A 23 5.982 -16.329 -16.345 1.00 25.00 H new ATOM 349 N LEU A 24 3.243 -14.072 -16.419 1.00 25.00 N ATOM 350 CA LEU A 24 2.081 -13.666 -17.196 1.00 25.00 C ATOM 351 C LEU A 24 1.634 -14.775 -18.141 1.00 25.00 C ATOM 352 O LEU A 24 2.444 -15.387 -18.829 1.00 25.00 O ATOM 353 CB LEU A 24 2.406 -12.425 -18.016 1.00 25.00 C ATOM 354 CG LEU A 24 1.465 -11.234 -17.805 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.961 -10.100 -18.664 1.00 25.00 C ATOM 356 CD2 LEU A 24 0.006 -11.549 -18.152 1.00 25.00 C ATOM 0 H LEU A 24 4.139 -13.945 -16.889 1.00 25.00 H new ATOM 0 HA LEU A 24 1.275 -13.451 -16.495 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.422 -12.110 -17.780 1.00 25.00 H new ATOM 0 HB3 LEU A 24 2.393 -12.694 -19.072 1.00 25.00 H new ATOM 0 HG LEU A 24 1.475 -10.973 -16.747 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.310 -9.235 -18.536 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.977 -9.837 -18.369 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.955 -10.406 -19.710 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.608 -10.665 -17.981 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.064 -11.842 -19.200 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.350 -12.365 -17.523 1.00 25.00 H new ATOM 368 N SER A 25 0.331 -14.979 -18.229 1.00 25.00 N ATOM 369 CA SER A 25 -0.235 -15.883 -19.218 1.00 25.00 C ATOM 370 C SER A 25 -0.463 -15.084 -20.501 1.00 25.00 C ATOM 371 O SER A 25 -1.236 -14.120 -20.522 1.00 25.00 O ATOM 372 CB SER A 25 -1.551 -16.461 -18.701 1.00 25.00 C ATOM 373 OG SER A 25 -2.254 -15.495 -17.927 1.00 25.00 O ATOM 0 H SER A 25 -0.358 -14.530 -17.626 1.00 25.00 H new ATOM 0 HA SER A 25 0.441 -16.716 -19.413 1.00 25.00 H new ATOM 0 HB2 SER A 25 -2.168 -16.781 -19.540 1.00 25.00 H new ATOM 0 HB3 SER A 25 -1.353 -17.345 -18.096 1.00 25.00 H new ATOM 0 HG SER A 25 -3.095 -15.882 -17.606 1.00 25.00 H new ATOM 379 N PHE A 26 0.233 -15.464 -21.562 1.00 25.00 N ATOM 380 CA PHE A 26 0.148 -14.777 -22.848 1.00 25.00 C ATOM 381 C PHE A 26 0.035 -15.833 -23.928 1.00 25.00 C ATOM 382 O PHE A 26 0.327 -16.997 -23.687 1.00 25.00 O ATOM 383 CB PHE A 26 1.395 -13.913 -23.076 1.00 25.00 C ATOM 384 CG PHE A 26 2.690 -14.682 -23.003 1.00 25.00 C ATOM 385 CD1 PHE A 26 3.380 -14.794 -21.785 1.00 25.00 C ATOM 386 CD2 PHE A 26 3.229 -15.301 -24.150 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.588 -15.523 -21.696 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.446 -16.027 -24.078 1.00 25.00 C ATOM 389 CZ PHE A 26 5.125 -16.137 -22.848 1.00 25.00 C ATOM 0 H PHE A 26 0.874 -16.258 -21.559 1.00 25.00 H new ATOM 0 HA PHE A 26 -0.720 -14.118 -22.869 1.00 25.00 H new ATOM 0 HB2 PHE A 26 1.321 -13.436 -24.053 1.00 25.00 H new ATOM 0 HB3 PHE A 26 1.414 -13.116 -22.333 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.982 -14.316 -20.902 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.710 -15.222 -25.094 1.00 25.00 H new ATOM 0 HE1 PHE A 26 5.099 -15.610 -20.748 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.851 -16.494 -24.964 1.00 25.00 H new ATOM 0 HZ PHE A 26 6.052 -16.688 -22.787 1.00 25.00 H new ATOM 399 N ARG A 27 -0.403 -15.452 -25.119 1.00 25.00 N ATOM 400 CA ARG A 27 -0.580 -16.419 -26.201 1.00 25.00 C ATOM 401 C ARG A 27 0.057 -15.928 -27.473 1.00 25.00 C ATOM 402 O ARG A 27 0.173 -14.736 -27.689 1.00 25.00 O ATOM 403 CB ARG A 27 -2.059 -16.682 -26.443 1.00 25.00 C ATOM 404 CG ARG A 27 -2.758 -17.330 -25.248 1.00 25.00 C ATOM 405 CD ARG A 27 -4.250 -17.401 -25.475 1.00 25.00 C ATOM 406 NE ARG A 27 -4.816 -16.042 -25.552 1.00 25.00 N ATOM 407 CZ ARG A 27 -5.188 -15.298 -24.515 1.00 25.00 C ATOM 408 NH1 ARG A 27 -5.136 -15.731 -23.279 1.00 25.00 N ATOM 409 NH2 ARG A 27 -5.603 -14.086 -24.726 1.00 25.00 N ATOM 0 H ARG A 27 -0.641 -14.491 -25.363 1.00 25.00 H new ATOM 0 HA ARG A 27 -0.093 -17.347 -25.900 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.555 -15.741 -26.679 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.169 -17.328 -27.314 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -2.361 -18.333 -25.088 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -2.550 -16.757 -24.344 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -4.460 -17.944 -26.397 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -4.723 -17.955 -24.664 1.00 25.00 H new ATOM 0 HE ARG A 27 -4.932 -15.638 -26.481 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -4.800 -16.674 -23.083 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -5.432 -15.125 -22.514 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -5.640 -13.718 -25.677 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -5.892 -13.502 -23.941 1.00 25.00 H new ATOM 423 N LYS A 28 0.439 -16.855 -28.333 1.00 25.00 N ATOM 424 CA LYS A 28 1.022 -16.497 -29.628 1.00 25.00 C ATOM 425 C LYS A 28 0.038 -15.647 -30.424 1.00 25.00 C ATOM 426 O LYS A 28 -1.143 -15.964 -30.517 1.00 25.00 O ATOM 427 CB LYS A 28 1.438 -17.745 -30.423 1.00 25.00 C ATOM 428 CG LYS A 28 0.371 -18.824 -30.585 1.00 25.00 C ATOM 429 CD LYS A 28 0.982 -20.055 -31.251 1.00 25.00 C ATOM 430 CE LYS A 28 0.035 -21.255 -31.209 1.00 25.00 C ATOM 431 NZ LYS A 28 -1.206 -21.035 -32.029 1.00 25.00 N ATOM 0 H LYS A 28 0.360 -17.858 -28.166 1.00 25.00 H new ATOM 0 HA LYS A 28 1.925 -15.914 -29.447 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.759 -17.428 -31.415 1.00 25.00 H new ATOM 0 HB3 LYS A 28 2.305 -18.190 -29.934 1.00 25.00 H new ATOM 0 HG2 LYS A 28 -0.040 -19.092 -29.612 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.455 -18.445 -31.187 1.00 25.00 H new ATOM 0 HD2 LYS A 28 1.228 -19.823 -32.287 1.00 25.00 H new ATOM 0 HD3 LYS A 28 1.916 -20.312 -30.752 1.00 25.00 H new ATOM 0 HE2 LYS A 28 0.557 -22.139 -31.575 1.00 25.00 H new ATOM 0 HE3 LYS A 28 -0.247 -21.456 -30.175 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 -1.815 -21.876 -31.969 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 -1.720 -20.208 -31.665 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 -0.942 -20.870 -33.021 1.00 25.00 H new ATOM 445 N GLY A 29 0.542 -14.547 -30.961 1.00 25.00 N ATOM 446 CA GLY A 29 -0.270 -13.614 -31.725 1.00 25.00 C ATOM 447 C GLY A 29 -0.800 -12.458 -30.896 1.00 25.00 C ATOM 448 O GLY A 29 -1.169 -11.430 -31.451 1.00 25.00 O ATOM 0 H GLY A 29 1.522 -14.277 -30.880 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.323 -13.218 -32.550 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.110 -14.151 -32.165 1.00 25.00 H new ATOM 452 N ASP A 30 -0.826 -12.616 -29.579 1.00 25.00 N ATOM 453 CA ASP A 30 -1.347 -11.582 -28.681 1.00 25.00 C ATOM 454 C ASP A 30 -0.340 -10.436 -28.549 1.00 25.00 C ATOM 455 O ASP A 30 0.852 -10.611 -28.837 1.00 25.00 O ATOM 456 CB ASP A 30 -1.637 -12.198 -27.308 1.00 25.00 C ATOM 457 CG ASP A 30 -2.829 -11.572 -26.622 1.00 25.00 C ATOM 458 OD1 ASP A 30 -3.455 -12.274 -25.799 1.00 25.00 O ATOM 459 OD2 ASP A 30 -3.172 -10.414 -26.929 1.00 25.00 O ATOM 0 H ASP A 30 -0.491 -13.454 -29.103 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.271 -11.179 -29.095 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.812 -13.267 -27.425 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.759 -12.086 -26.672 1.00 25.00 H new ATOM 464 N ILE A 31 -0.820 -9.269 -28.138 1.00 25.00 N ATOM 465 CA ILE A 31 0.001 -8.057 -28.046 1.00 25.00 C ATOM 466 C ILE A 31 0.020 -7.575 -26.599 1.00 25.00 C ATOM 467 O ILE A 31 -1.031 -7.380 -26.006 1.00 25.00 O ATOM 468 CB ILE A 31 -0.591 -6.896 -28.921 1.00 25.00 C ATOM 469 CG1 ILE A 31 -0.889 -7.365 -30.364 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.363 -5.667 -28.921 1.00 25.00 C ATOM 471 CD1 ILE A 31 0.318 -7.816 -31.177 1.00 25.00 C ATOM 0 H ILE A 31 -1.791 -9.131 -27.857 1.00 25.00 H new ATOM 0 HA ILE A 31 1.001 -8.305 -28.401 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.539 -6.595 -28.474 1.00 25.00 H new ATOM 0 HG12 ILE A 31 -1.601 -8.189 -30.318 1.00 25.00 H new ATOM 0 HG13 ILE A 31 -1.378 -6.550 -30.897 1.00 25.00 H new ATOM 0 HG21 ILE A 31 -0.066 -4.874 -29.533 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.493 -5.308 -27.900 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.331 -5.958 -29.330 1.00 25.00 H new ATOM 0 HD11 ILE A 31 -0.007 -8.123 -32.171 1.00 25.00 H new ATOM 0 HD12 ILE A 31 1.026 -6.992 -31.265 1.00 25.00 H new ATOM 0 HD13 ILE A 31 0.800 -8.656 -30.677 1.00 25.00 H new ATOM 483 N MET A 32 1.204 -7.364 -26.040 1.00 25.00 N ATOM 484 CA MET A 32 1.329 -6.903 -24.652 1.00 25.00 C ATOM 485 C MET A 32 2.327 -5.768 -24.524 1.00 25.00 C ATOM 486 O MET A 32 3.300 -5.689 -25.279 1.00 25.00 O ATOM 487 CB MET A 32 1.747 -8.061 -23.740 1.00 25.00 C ATOM 488 CG MET A 32 3.036 -8.763 -24.154 1.00 25.00 C ATOM 489 SD MET A 32 2.846 -10.553 -24.064 1.00 25.00 S ATOM 490 CE MET A 32 1.742 -10.856 -25.476 1.00 25.00 C ATOM 0 H MET A 32 2.093 -7.503 -26.520 1.00 25.00 H new ATOM 0 HA MET A 32 0.352 -6.531 -24.345 1.00 25.00 H new ATOM 0 HB2 MET A 32 1.865 -7.682 -22.725 1.00 25.00 H new ATOM 0 HB3 MET A 32 0.941 -8.795 -23.714 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.304 -8.472 -25.170 1.00 25.00 H new ATOM 0 HG3 MET A 32 3.853 -8.446 -23.505 1.00 25.00 H new ATOM 0 HE1 MET A 32 1.518 -11.921 -25.541 1.00 25.00 H new ATOM 0 HE2 MET A 32 0.816 -10.298 -25.340 1.00 25.00 H new ATOM 0 HE3 MET A 32 2.230 -10.532 -26.395 1.00 25.00 H new ATOM 500 N THR A 33 2.085 -4.895 -23.560 1.00 25.00 N ATOM 501 CA THR A 33 2.971 -3.767 -23.290 1.00 25.00 C ATOM 502 C THR A 33 4.153 -4.272 -22.480 1.00 25.00 C ATOM 503 O THR A 33 3.963 -5.025 -21.540 1.00 25.00 O ATOM 504 CB THR A 33 2.231 -2.682 -22.467 1.00 25.00 C ATOM 505 OG1 THR A 33 1.010 -2.348 -23.131 1.00 25.00 O ATOM 506 CG2 THR A 33 3.060 -1.409 -22.327 1.00 25.00 C ATOM 0 H THR A 33 1.274 -4.945 -22.944 1.00 25.00 H new ATOM 0 HA THR A 33 3.300 -3.332 -24.234 1.00 25.00 H new ATOM 0 HB THR A 33 2.047 -3.087 -21.472 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.534 -1.663 -22.616 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.504 -0.675 -21.743 1.00 25.00 H new ATOM 0 HG22 THR A 33 3.998 -1.639 -21.822 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.271 -1.002 -23.316 1.00 25.00 H new ATOM 514 N VAL A 34 5.357 -3.843 -22.826 1.00 25.00 N ATOM 515 CA VAL A 34 6.567 -4.166 -22.061 1.00 25.00 C ATOM 516 C VAL A 34 6.936 -2.906 -21.282 1.00 25.00 C ATOM 517 O VAL A 34 7.133 -1.829 -21.864 1.00 25.00 O ATOM 518 CB VAL A 34 7.754 -4.592 -22.983 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.043 -4.778 -22.167 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.430 -5.901 -23.723 1.00 25.00 C ATOM 0 H VAL A 34 5.530 -3.260 -23.645 1.00 25.00 H new ATOM 0 HA VAL A 34 6.373 -5.013 -21.402 1.00 25.00 H new ATOM 0 HB VAL A 34 7.904 -3.796 -23.712 1.00 25.00 H new ATOM 0 HG11 VAL A 34 9.855 -5.074 -22.831 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.301 -3.840 -21.675 1.00 25.00 H new ATOM 0 HG13 VAL A 34 8.889 -5.552 -21.415 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.271 -6.177 -24.359 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.248 -6.694 -22.997 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.541 -5.761 -24.338 1.00 25.00 H new ATOM 530 N LEU A 35 6.978 -3.031 -19.965 1.00 25.00 N ATOM 531 CA LEU A 35 7.242 -1.898 -19.085 1.00 25.00 C ATOM 532 C LEU A 35 8.733 -1.705 -18.865 1.00 25.00 C ATOM 533 O LEU A 35 9.239 -0.585 -18.934 1.00 25.00 O ATOM 534 CB LEU A 35 6.568 -2.135 -17.727 1.00 25.00 C ATOM 535 CG LEU A 35 5.034 -2.157 -17.715 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.536 -2.563 -16.333 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.445 -0.792 -18.095 1.00 25.00 C ATOM 0 H LEU A 35 6.831 -3.914 -19.476 1.00 25.00 H new ATOM 0 HA LEU A 35 6.840 -1.003 -19.560 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.925 -3.086 -17.331 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.903 -1.357 -17.040 1.00 25.00 H new ATOM 0 HG LEU A 35 4.704 -2.884 -18.457 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.446 -2.577 -16.329 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.913 -3.556 -16.088 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.892 -1.846 -15.593 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.357 -0.847 -18.075 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.783 -0.039 -17.383 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.776 -0.519 -19.097 1.00 25.00 H new ATOM 549 N GLU A 36 9.425 -2.800 -18.598 1.00 25.00 N ATOM 550 CA GLU A 36 10.859 -2.785 -18.303 1.00 25.00 C ATOM 551 C GLU A 36 11.419 -4.154 -18.682 1.00 25.00 C ATOM 552 O GLU A 36 10.657 -5.059 -19.031 1.00 25.00 O ATOM 553 CB GLU A 36 11.105 -2.469 -16.820 1.00 25.00 C ATOM 554 CG GLU A 36 10.437 -3.426 -15.857 1.00 25.00 C ATOM 555 CD GLU A 36 10.681 -3.044 -14.411 1.00 25.00 C ATOM 556 OE1 GLU A 36 9.916 -2.215 -13.871 1.00 25.00 O ATOM 557 OE2 GLU A 36 11.645 -3.567 -13.817 1.00 25.00 O ATOM 0 H GLU A 36 9.011 -3.732 -18.578 1.00 25.00 H new ATOM 0 HA GLU A 36 11.362 -2.006 -18.876 1.00 25.00 H new ATOM 0 HB2 GLU A 36 12.179 -2.476 -16.633 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.752 -1.459 -16.613 1.00 25.00 H new ATOM 0 HG2 GLU A 36 9.364 -3.444 -16.050 1.00 25.00 H new ATOM 0 HG3 GLU A 36 10.810 -4.435 -16.033 1.00 25.00 H new ATOM 564 N ARG A 37 12.738 -4.302 -18.650 1.00 25.00 N ATOM 565 CA ARG A 37 13.391 -5.546 -19.062 1.00 25.00 C ATOM 566 C ARG A 37 14.328 -6.028 -17.982 1.00 25.00 C ATOM 567 O ARG A 37 14.832 -5.226 -17.212 1.00 25.00 O ATOM 568 CB ARG A 37 14.216 -5.320 -20.329 1.00 25.00 C ATOM 569 CG ARG A 37 13.404 -4.926 -21.539 1.00 25.00 C ATOM 570 CD ARG A 37 14.302 -4.881 -22.753 1.00 25.00 C ATOM 571 NE ARG A 37 13.570 -4.477 -23.964 1.00 25.00 N ATOM 572 CZ ARG A 37 14.110 -4.349 -25.168 1.00 25.00 C ATOM 573 NH1 ARG A 37 15.379 -4.591 -25.395 1.00 25.00 N ATOM 574 NH2 ARG A 37 13.360 -3.968 -26.164 1.00 25.00 N ATOM 0 H ARG A 37 13.382 -3.574 -18.342 1.00 25.00 H new ATOM 0 HA ARG A 37 12.612 -6.285 -19.246 1.00 25.00 H new ATOM 0 HB2 ARG A 37 14.955 -4.543 -20.133 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.767 -6.233 -20.557 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.596 -5.641 -21.697 1.00 25.00 H new ATOM 0 HG3 ARG A 37 12.941 -3.952 -21.379 1.00 25.00 H new ATOM 0 HD2 ARG A 37 15.120 -4.183 -22.574 1.00 25.00 H new ATOM 0 HD3 ARG A 37 14.749 -5.863 -22.910 1.00 25.00 H new ATOM 0 HE ARG A 37 12.573 -4.281 -23.870 1.00 25.00 H new ATOM 0 HH11 ARG A 37 15.986 -4.889 -24.631 1.00 25.00 H new ATOM 0 HH12 ARG A 37 15.759 -4.482 -26.335 1.00 25.00 H new ATOM 0 HH21 ARG A 37 12.371 -3.772 -26.012 1.00 25.00 H new ATOM 0 HH22 ARG A 37 13.763 -3.865 -27.096 1.00 25.00 H new ATOM 588 N ASP A 38 14.563 -7.335 -17.983 1.00 25.00 N ATOM 589 CA ASP A 38 15.529 -7.999 -17.102 1.00 25.00 C ATOM 590 C ASP A 38 15.175 -7.705 -15.644 1.00 25.00 C ATOM 591 O ASP A 38 16.025 -7.533 -14.774 1.00 25.00 O ATOM 592 CB ASP A 38 16.946 -7.575 -17.502 1.00 25.00 C ATOM 593 CG ASP A 38 17.152 -7.651 -19.018 1.00 25.00 C ATOM 594 OD1 ASP A 38 17.567 -6.638 -19.624 1.00 25.00 O ATOM 595 OD2 ASP A 38 16.749 -8.678 -19.622 1.00 25.00 O ATOM 0 H ASP A 38 14.079 -7.980 -18.608 1.00 25.00 H new ATOM 0 HA ASP A 38 15.488 -9.083 -17.210 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.132 -6.557 -17.160 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.673 -8.216 -17.003 1.00 25.00 H new ATOM 600 N THR A 39 13.868 -7.635 -15.416 1.00 25.00 N ATOM 601 CA THR A 39 13.289 -7.150 -14.159 1.00 25.00 C ATOM 602 C THR A 39 13.497 -8.105 -12.983 1.00 25.00 C ATOM 603 O THR A 39 13.461 -7.706 -11.826 1.00 25.00 O ATOM 604 CB THR A 39 11.755 -6.929 -14.371 1.00 25.00 C ATOM 605 OG1 THR A 39 11.194 -6.229 -13.262 1.00 25.00 O ATOM 606 CG2 THR A 39 11.003 -8.261 -14.540 1.00 25.00 C ATOM 0 H THR A 39 13.169 -7.916 -16.104 1.00 25.00 H new ATOM 0 HA THR A 39 13.802 -6.222 -13.904 1.00 25.00 H new ATOM 0 HB THR A 39 11.643 -6.343 -15.283 1.00 25.00 H new ATOM 0 HG1 THR A 39 11.388 -5.272 -13.347 1.00 25.00 H new ATOM 0 HG21 THR A 39 9.941 -8.063 -14.685 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.395 -8.792 -15.407 1.00 25.00 H new ATOM 0 HG23 THR A 39 11.140 -8.872 -13.648 1.00 25.00 H new ATOM 614 N GLN A 40 13.764 -9.366 -13.289 1.00 25.00 N ATOM 615 CA GLN A 40 13.939 -10.383 -12.257 1.00 25.00 C ATOM 616 C GLN A 40 15.425 -10.629 -12.006 1.00 25.00 C ATOM 617 O GLN A 40 15.807 -11.519 -11.252 1.00 25.00 O ATOM 618 CB GLN A 40 13.246 -11.679 -12.713 1.00 25.00 C ATOM 619 CG GLN A 40 12.808 -12.612 -11.573 1.00 25.00 C ATOM 620 CD GLN A 40 11.512 -12.174 -10.919 1.00 25.00 C ATOM 621 OE1 GLN A 40 11.329 -11.020 -10.584 1.00 25.00 O ATOM 622 NE2 GLN A 40 10.611 -13.097 -10.751 1.00 25.00 N ATOM 0 H GLN A 40 13.865 -9.712 -14.243 1.00 25.00 H new ATOM 0 HA GLN A 40 13.491 -10.042 -11.324 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.370 -11.416 -13.306 1.00 25.00 H new ATOM 0 HB3 GLN A 40 13.923 -12.225 -13.370 1.00 25.00 H new ATOM 0 HG2 GLN A 40 12.689 -13.623 -11.963 1.00 25.00 H new ATOM 0 HG3 GLN A 40 13.595 -12.651 -10.819 1.00 25.00 H new ATOM 0 HE21 GLN A 40 10.801 -14.055 -11.045 1.00 25.00 H new ATOM 0 HE22 GLN A 40 9.714 -12.863 -10.325 1.00 25.00 H new ATOM 631 N GLY A 41 16.266 -9.894 -12.722 1.00 25.00 N ATOM 632 CA GLY A 41 17.700 -10.138 -12.679 1.00 25.00 C ATOM 633 C GLY A 41 18.054 -11.286 -13.607 1.00 25.00 C ATOM 634 O GLY A 41 19.221 -11.595 -13.833 1.00 25.00 O ATOM 0 H GLY A 41 15.982 -9.130 -13.335 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.240 -9.239 -12.975 1.00 25.00 H new ATOM 0 HA3 GLY A 41 18.008 -10.374 -11.660 1.00 25.00 H new ATOM 638 N LEU A 42 17.025 -11.912 -14.162 1.00 25.00 N ATOM 639 CA LEU A 42 17.191 -12.991 -15.119 1.00 25.00 C ATOM 640 C LEU A 42 17.285 -12.351 -16.490 1.00 25.00 C ATOM 641 O LEU A 42 16.416 -11.560 -16.874 1.00 25.00 O ATOM 642 CB LEU A 42 15.994 -13.947 -15.083 1.00 25.00 C ATOM 643 CG LEU A 42 15.740 -14.716 -13.778 1.00 25.00 C ATOM 644 CD1 LEU A 42 14.426 -15.493 -13.911 1.00 25.00 C ATOM 645 CD2 LEU A 42 16.885 -15.677 -13.449 1.00 25.00 C ATOM 0 H LEU A 42 16.052 -11.684 -13.959 1.00 25.00 H new ATOM 0 HA LEU A 42 18.083 -13.571 -14.882 1.00 25.00 H new ATOM 0 HB2 LEU A 42 15.097 -13.372 -15.315 1.00 25.00 H new ATOM 0 HB3 LEU A 42 16.121 -14.676 -15.884 1.00 25.00 H new ATOM 0 HG LEU A 42 15.677 -13.998 -12.961 1.00 25.00 H new ATOM 0 HD11 LEU A 42 14.234 -16.044 -12.990 1.00 25.00 H new ATOM 0 HD12 LEU A 42 13.608 -14.796 -14.094 1.00 25.00 H new ATOM 0 HD13 LEU A 42 14.500 -16.193 -14.744 1.00 25.00 H new ATOM 0 HD21 LEU A 42 16.665 -16.200 -12.519 1.00 25.00 H new ATOM 0 HD22 LEU A 42 16.995 -16.402 -14.256 1.00 25.00 H new ATOM 0 HD23 LEU A 42 17.812 -15.114 -13.338 1.00 25.00 H new ATOM 657 N ASP A 43 18.336 -12.688 -17.214 1.00 25.00 N ATOM 658 CA ASP A 43 18.566 -12.134 -18.541 1.00 25.00 C ATOM 659 C ASP A 43 17.413 -12.507 -19.466 1.00 25.00 C ATOM 660 O ASP A 43 16.985 -13.667 -19.527 1.00 25.00 O ATOM 661 CB ASP A 43 19.884 -12.676 -19.108 1.00 25.00 C ATOM 662 CG ASP A 43 20.244 -12.056 -20.451 1.00 25.00 C ATOM 663 OD1 ASP A 43 19.788 -10.931 -20.743 1.00 25.00 O ATOM 664 OD2 ASP A 43 20.988 -12.705 -21.214 1.00 25.00 O ATOM 0 H ASP A 43 19.050 -13.347 -16.905 1.00 25.00 H new ATOM 0 HA ASP A 43 18.627 -11.048 -18.469 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.687 -12.484 -18.397 1.00 25.00 H new ATOM 0 HB3 ASP A 43 19.809 -13.758 -19.220 1.00 25.00 H new ATOM 669 N GLY A 44 16.891 -11.513 -20.165 1.00 25.00 N ATOM 670 CA GLY A 44 15.834 -11.739 -21.124 1.00 25.00 C ATOM 671 C GLY A 44 14.430 -11.815 -20.561 1.00 25.00 C ATOM 672 O GLY A 44 13.505 -12.007 -21.332 1.00 25.00 O ATOM 0 H GLY A 44 17.186 -10.540 -20.083 1.00 25.00 H new ATOM 0 HA2 GLY A 44 15.864 -10.939 -21.863 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.043 -12.669 -21.652 1.00 25.00 H new ATOM 676 N TRP A 45 14.226 -11.664 -19.261 1.00 25.00 N ATOM 677 CA TRP A 45 12.866 -11.727 -18.699 1.00 25.00 C ATOM 678 C TRP A 45 12.292 -10.331 -18.507 1.00 25.00 C ATOM 679 O TRP A 45 12.779 -9.552 -17.700 1.00 25.00 O ATOM 680 CB TRP A 45 12.867 -12.494 -17.387 1.00 25.00 C ATOM 681 CG TRP A 45 12.937 -13.972 -17.616 1.00 25.00 C ATOM 682 CD1 TRP A 45 14.042 -14.717 -17.872 1.00 25.00 C ATOM 683 CD2 TRP A 45 11.837 -14.903 -17.639 1.00 25.00 C ATOM 684 NE1 TRP A 45 13.734 -16.035 -18.037 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.382 -16.195 -17.899 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.444 -14.778 -17.465 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.579 -17.352 -17.975 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.632 -15.939 -17.535 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.213 -17.215 -17.789 1.00 25.00 C ATOM 0 H TRP A 45 14.965 -11.499 -18.577 1.00 25.00 H new ATOM 0 HA TRP A 45 12.229 -12.258 -19.407 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.716 -12.178 -16.780 1.00 25.00 H new ATOM 0 HB3 TRP A 45 11.965 -12.254 -16.823 1.00 25.00 H new ATOM 0 HD1 TRP A 45 15.042 -14.315 -17.937 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.403 -16.780 -18.232 1.00 25.00 H new ATOM 0 HE3 TRP A 45 10.000 -13.811 -17.281 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 12.017 -18.319 -18.173 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.564 -15.855 -17.395 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.579 -18.088 -17.837 1.00 25.00 H new ATOM 700 N TRP A 46 11.293 -9.990 -19.306 1.00 25.00 N ATOM 701 CA TRP A 46 10.763 -8.635 -19.338 1.00 25.00 C ATOM 702 C TRP A 46 9.452 -8.544 -18.578 1.00 25.00 C ATOM 703 O TRP A 46 8.651 -9.474 -18.613 1.00 25.00 O ATOM 704 CB TRP A 46 10.540 -8.219 -20.793 1.00 25.00 C ATOM 705 CG TRP A 46 11.786 -8.314 -21.669 1.00 25.00 C ATOM 706 CD1 TRP A 46 13.072 -8.543 -21.278 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.846 -8.192 -23.103 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.925 -8.574 -22.338 1.00 25.00 N ATOM 709 CE2 TRP A 46 13.211 -8.363 -23.485 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.883 -7.972 -24.108 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.631 -8.310 -24.831 1.00 25.00 C ATOM 712 CZ3 TRP A 46 11.299 -7.929 -25.464 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.672 -8.093 -25.808 1.00 25.00 C ATOM 0 H TRP A 46 10.830 -10.637 -19.945 1.00 25.00 H new ATOM 0 HA TRP A 46 11.481 -7.968 -18.861 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.759 -8.846 -21.223 1.00 25.00 H new ATOM 0 HB3 TRP A 46 10.173 -7.193 -20.814 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.377 -8.683 -20.251 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.932 -8.729 -22.285 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.843 -7.838 -23.850 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.671 -8.435 -25.093 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.568 -7.770 -26.243 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.970 -8.048 -26.845 1.00 25.00 H new ATOM 724 N LEU A 47 9.217 -7.421 -17.916 1.00 25.00 N ATOM 725 CA LEU A 47 7.954 -7.208 -17.222 1.00 25.00 C ATOM 726 C LEU A 47 6.960 -6.719 -18.252 1.00 25.00 C ATOM 727 O LEU A 47 7.160 -5.664 -18.866 1.00 25.00 O ATOM 728 CB LEU A 47 8.088 -6.153 -16.120 1.00 25.00 C ATOM 729 CG LEU A 47 6.850 -5.947 -15.228 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.527 -7.196 -14.407 1.00 25.00 C ATOM 731 CD2 LEU A 47 7.091 -4.771 -14.288 1.00 25.00 C ATOM 0 H LEU A 47 9.878 -6.648 -17.844 1.00 25.00 H new ATOM 0 HA LEU A 47 7.635 -8.138 -16.752 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.929 -6.427 -15.483 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.338 -5.200 -16.586 1.00 25.00 H new ATOM 0 HG LEU A 47 5.999 -5.744 -15.878 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.647 -7.009 -13.791 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.329 -8.032 -15.078 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.374 -7.439 -13.765 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.215 -4.625 -13.656 1.00 25.00 H new ATOM 0 HD22 LEU A 47 7.959 -4.977 -13.662 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.271 -3.869 -14.873 1.00 25.00 H new ATOM 743 N CYS A 48 5.905 -7.483 -18.463 1.00 25.00 N ATOM 744 CA CYS A 48 4.891 -7.123 -19.434 1.00 25.00 C ATOM 745 C CYS A 48 3.553 -6.973 -18.736 1.00 25.00 C ATOM 746 O CYS A 48 3.403 -7.404 -17.600 1.00 25.00 O ATOM 747 CB CYS A 48 4.809 -8.198 -20.511 1.00 25.00 C ATOM 748 SG CYS A 48 6.404 -8.515 -21.285 1.00 25.00 S ATOM 0 H CYS A 48 5.728 -8.360 -17.973 1.00 25.00 H new ATOM 0 HA CYS A 48 5.153 -6.175 -19.904 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.431 -9.121 -20.071 1.00 25.00 H new ATOM 0 HB3 CYS A 48 4.093 -7.891 -21.273 1.00 25.00 H new ATOM 0 HG CYS A 48 7.260 -8.885 -20.379 1.00 25.00 H new ATOM 754 N SER A 49 2.575 -6.407 -19.429 1.00 25.00 N ATOM 755 CA SER A 49 1.218 -6.302 -18.901 1.00 25.00 C ATOM 756 C SER A 49 0.205 -6.721 -19.962 1.00 25.00 C ATOM 757 O SER A 49 0.287 -6.296 -21.119 1.00 25.00 O ATOM 758 CB SER A 49 0.929 -4.887 -18.406 1.00 25.00 C ATOM 759 OG SER A 49 -0.383 -4.808 -17.874 1.00 25.00 O ATOM 0 H SER A 49 2.695 -6.012 -20.362 1.00 25.00 H new ATOM 0 HA SER A 49 1.129 -6.976 -18.049 1.00 25.00 H new ATOM 0 HB2 SER A 49 1.655 -4.606 -17.643 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.039 -4.178 -19.227 1.00 25.00 H new ATOM 0 HG SER A 49 -0.614 -5.659 -17.446 1.00 25.00 H new ATOM 765 N LEU A 50 -0.711 -7.596 -19.559 1.00 25.00 N ATOM 766 CA LEU A 50 -1.730 -8.181 -20.435 1.00 25.00 C ATOM 767 C LEU A 50 -2.843 -8.723 -19.528 1.00 25.00 C ATOM 768 O LEU A 50 -2.574 -9.060 -18.385 1.00 25.00 O ATOM 769 CB LEU A 50 -1.111 -9.332 -21.251 1.00 25.00 C ATOM 770 CG LEU A 50 -1.985 -9.989 -22.334 1.00 25.00 C ATOM 771 CD1 LEU A 50 -2.340 -9.017 -23.447 1.00 25.00 C ATOM 772 CD2 LEU A 50 -1.252 -11.188 -22.908 1.00 25.00 C ATOM 0 H LEU A 50 -0.770 -7.927 -18.596 1.00 25.00 H new ATOM 0 HA LEU A 50 -2.123 -7.440 -21.131 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.208 -8.955 -21.731 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.800 -10.109 -20.553 1.00 25.00 H new ATOM 0 HG LEU A 50 -2.919 -10.305 -21.869 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -2.957 -9.523 -24.189 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -2.891 -8.173 -23.031 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -1.427 -8.656 -23.920 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -1.867 -11.657 -23.676 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -0.309 -10.862 -23.347 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -1.053 -11.907 -22.113 1.00 25.00 H new ATOM 784 N HIS A 51 -4.077 -8.783 -20.025 1.00 25.00 N ATOM 785 CA HIS A 51 -5.241 -9.292 -19.261 1.00 25.00 C ATOM 786 C HIS A 51 -5.513 -8.521 -17.958 1.00 25.00 C ATOM 787 O HIS A 51 -6.099 -9.062 -17.027 1.00 25.00 O ATOM 788 CB HIS A 51 -5.088 -10.792 -18.924 1.00 25.00 C ATOM 789 CG HIS A 51 -4.969 -11.674 -20.125 1.00 25.00 C ATOM 790 ND1 HIS A 51 -3.840 -12.378 -20.465 1.00 25.00 N ATOM 791 CD2 HIS A 51 -5.883 -11.991 -21.081 1.00 25.00 C ATOM 792 CE1 HIS A 51 -4.094 -13.057 -21.572 1.00 25.00 C ATOM 793 NE2 HIS A 51 -5.329 -12.867 -21.992 1.00 25.00 N ATOM 0 H HIS A 51 -4.311 -8.482 -20.971 1.00 25.00 H new ATOM 0 HA HIS A 51 -6.093 -9.140 -19.923 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -4.205 -10.926 -18.299 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -5.948 -11.111 -18.335 1.00 25.00 H new ATOM 0 HD1 HIS A 51 -2.958 -12.378 -19.953 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -6.894 -11.613 -21.121 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -3.376 -13.691 -22.071 1.00 25.00 H new ATOM 801 N GLY A 52 -5.072 -7.271 -17.883 1.00 25.00 N ATOM 802 CA GLY A 52 -5.272 -6.483 -16.672 1.00 25.00 C ATOM 803 C GLY A 52 -4.335 -6.900 -15.552 1.00 25.00 C ATOM 804 O GLY A 52 -4.527 -6.541 -14.394 1.00 25.00 O ATOM 0 H GLY A 52 -4.581 -6.786 -18.634 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -5.118 -5.428 -16.898 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -6.304 -6.590 -16.338 1.00 25.00 H new ATOM 808 N ARG A 53 -3.322 -7.677 -15.905 1.00 25.00 N ATOM 809 CA ARG A 53 -2.323 -8.173 -14.963 1.00 25.00 C ATOM 810 C ARG A 53 -0.978 -7.761 -15.504 1.00 25.00 C ATOM 811 O ARG A 53 -0.874 -7.374 -16.664 1.00 25.00 O ATOM 812 CB ARG A 53 -2.379 -9.700 -14.864 1.00 25.00 C ATOM 813 CG ARG A 53 -3.709 -10.244 -14.382 1.00 25.00 C ATOM 814 CD ARG A 53 -3.603 -11.738 -14.158 1.00 25.00 C ATOM 815 NE ARG A 53 -4.902 -12.330 -13.804 1.00 25.00 N ATOM 816 CZ ARG A 53 -5.092 -13.592 -13.435 1.00 25.00 C ATOM 817 NH1 ARG A 53 -4.104 -14.450 -13.337 1.00 25.00 N ATOM 818 NH2 ARG A 53 -6.299 -14.001 -13.158 1.00 25.00 N ATOM 0 H ARG A 53 -3.166 -7.986 -16.865 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.505 -7.766 -13.968 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -2.159 -10.124 -15.844 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -1.594 -10.038 -14.187 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -4.001 -9.748 -13.456 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -4.486 -10.032 -15.116 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -3.220 -12.215 -15.060 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -2.884 -11.936 -13.363 1.00 25.00 H new ATOM 0 HE ARG A 53 -5.721 -11.724 -13.845 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -3.150 -14.156 -13.547 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -4.290 -15.411 -13.050 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -7.085 -13.354 -13.226 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -6.457 -14.968 -12.874 1.00 25.00 H new ATOM 832 N GLN A 54 0.051 -7.873 -14.691 1.00 25.00 N ATOM 833 CA GLN A 54 1.409 -7.653 -15.150 1.00 25.00 C ATOM 834 C GLN A 54 2.212 -8.797 -14.570 1.00 25.00 C ATOM 835 O GLN A 54 1.827 -9.352 -13.545 1.00 25.00 O ATOM 836 CB GLN A 54 1.935 -6.279 -14.712 1.00 25.00 C ATOM 837 CG GLN A 54 2.056 -6.098 -13.204 1.00 25.00 C ATOM 838 CD GLN A 54 2.460 -4.688 -12.817 1.00 25.00 C ATOM 839 OE1 GLN A 54 2.503 -3.789 -13.639 1.00 25.00 O ATOM 840 NE2 GLN A 54 2.735 -4.488 -11.555 1.00 25.00 N ATOM 0 H GLN A 54 -0.026 -8.116 -13.703 1.00 25.00 H new ATOM 0 HA GLN A 54 1.479 -7.639 -16.238 1.00 25.00 H new ATOM 0 HB2 GLN A 54 2.914 -6.118 -15.164 1.00 25.00 H new ATOM 0 HB3 GLN A 54 1.272 -5.508 -15.105 1.00 25.00 H new ATOM 0 HG2 GLN A 54 1.103 -6.341 -12.735 1.00 25.00 H new ATOM 0 HG3 GLN A 54 2.791 -6.803 -12.815 1.00 25.00 H new ATOM 0 HE21 GLN A 54 2.689 -5.263 -10.894 1.00 25.00 H new ATOM 0 HE22 GLN A 54 2.995 -3.556 -11.231 1.00 25.00 H new ATOM 849 N GLY A 55 3.268 -9.192 -15.259 1.00 25.00 N ATOM 850 CA GLY A 55 4.062 -10.327 -14.829 1.00 25.00 C ATOM 851 C GLY A 55 5.247 -10.527 -15.745 1.00 25.00 C ATOM 852 O GLY A 55 5.359 -9.857 -16.783 1.00 25.00 O ATOM 0 H GLY A 55 3.594 -8.745 -16.116 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.408 -10.169 -13.808 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.446 -11.226 -14.821 1.00 25.00 H new ATOM 856 N ILE A 56 6.148 -11.414 -15.358 1.00 25.00 N ATOM 857 CA ILE A 56 7.368 -11.652 -16.120 1.00 25.00 C ATOM 858 C ILE A 56 7.093 -12.536 -17.344 1.00 25.00 C ATOM 859 O ILE A 56 6.234 -13.427 -17.314 1.00 25.00 O ATOM 860 CB ILE A 56 8.503 -12.257 -15.218 1.00 25.00 C ATOM 861 CG1 ILE A 56 8.170 -13.700 -14.776 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.729 -11.346 -13.980 1.00 25.00 C ATOM 863 CD1 ILE A 56 9.298 -14.409 -14.012 1.00 25.00 C ATOM 0 H ILE A 56 6.059 -11.985 -14.517 1.00 25.00 H new ATOM 0 HA ILE A 56 7.723 -10.687 -16.482 1.00 25.00 H new ATOM 0 HB ILE A 56 9.420 -12.301 -15.806 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.280 -13.677 -14.146 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.921 -14.288 -15.659 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.517 -11.768 -13.356 1.00 25.00 H new ATOM 0 HG22 ILE A 56 9.023 -10.350 -14.310 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.806 -11.280 -13.404 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.978 -15.415 -13.741 1.00 25.00 H new ATOM 0 HD12 ILE A 56 10.184 -14.468 -14.644 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.534 -13.848 -13.108 1.00 25.00 H new ATOM 875 N VAL A 57 7.793 -12.238 -18.429 1.00 25.00 N ATOM 876 CA VAL A 57 7.640 -12.944 -19.704 1.00 25.00 C ATOM 877 C VAL A 57 9.022 -13.105 -20.342 1.00 25.00 C ATOM 878 O VAL A 57 9.788 -12.138 -20.402 1.00 25.00 O ATOM 879 CB VAL A 57 6.760 -12.103 -20.685 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.707 -12.734 -22.074 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.343 -11.940 -20.135 1.00 25.00 C ATOM 0 H VAL A 57 8.490 -11.494 -18.455 1.00 25.00 H new ATOM 0 HA VAL A 57 7.170 -13.910 -19.520 1.00 25.00 H new ATOM 0 HB VAL A 57 7.224 -11.121 -20.775 1.00 25.00 H new ATOM 0 HG11 VAL A 57 6.086 -12.122 -22.728 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.715 -12.796 -22.484 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.282 -13.735 -22.003 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.747 -11.352 -20.833 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.887 -12.922 -20.007 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.383 -11.430 -19.172 1.00 25.00 H new ATOM 891 N PRO A 58 9.361 -14.305 -20.854 1.00 25.00 N ATOM 892 CA PRO A 58 10.657 -14.342 -21.541 1.00 25.00 C ATOM 893 C PRO A 58 10.610 -13.574 -22.875 1.00 25.00 C ATOM 894 O PRO A 58 9.849 -13.904 -23.785 1.00 25.00 O ATOM 895 CB PRO A 58 10.894 -15.841 -21.741 1.00 25.00 C ATOM 896 CG PRO A 58 9.531 -16.416 -21.843 1.00 25.00 C ATOM 897 CD PRO A 58 8.675 -15.612 -20.906 1.00 25.00 C ATOM 0 HA PRO A 58 11.459 -13.861 -20.982 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.476 -16.035 -22.642 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.446 -16.272 -20.906 1.00 25.00 H new ATOM 0 HG2 PRO A 58 9.156 -16.354 -22.865 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.530 -17.470 -21.566 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.654 -15.516 -21.276 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.614 -16.074 -19.921 1.00 25.00 H new ATOM 905 N GLY A 59 11.429 -12.539 -22.973 1.00 25.00 N ATOM 906 CA GLY A 59 11.433 -11.646 -24.120 1.00 25.00 C ATOM 907 C GLY A 59 11.843 -12.290 -25.421 1.00 25.00 C ATOM 908 O GLY A 59 11.484 -11.813 -26.483 1.00 25.00 O ATOM 0 H GLY A 59 12.112 -12.294 -22.256 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.435 -11.224 -24.238 1.00 25.00 H new ATOM 0 HA3 GLY A 59 12.108 -10.815 -23.914 1.00 25.00 H new ATOM 912 N ASN A 60 12.550 -13.409 -25.350 1.00 25.00 N ATOM 913 CA ASN A 60 12.921 -14.152 -26.557 1.00 25.00 C ATOM 914 C ASN A 60 11.673 -14.694 -27.270 1.00 25.00 C ATOM 915 O ASN A 60 11.694 -14.979 -28.461 1.00 25.00 O ATOM 916 CB ASN A 60 13.851 -15.312 -26.199 1.00 25.00 C ATOM 917 CG ASN A 60 14.457 -15.961 -27.423 1.00 25.00 C ATOM 918 OD1 ASN A 60 14.975 -15.292 -28.295 1.00 25.00 O ATOM 919 ND2 ASN A 60 14.401 -17.265 -27.484 1.00 25.00 N ATOM 0 H ASN A 60 12.879 -13.824 -24.478 1.00 25.00 H new ATOM 0 HA ASN A 60 13.439 -13.468 -27.229 1.00 25.00 H new ATOM 0 HB2 ASN A 60 14.648 -14.949 -25.551 1.00 25.00 H new ATOM 0 HB3 ASN A 60 13.295 -16.059 -25.632 1.00 25.00 H new ATOM 0 HD21 ASN A 60 14.801 -17.756 -28.284 1.00 25.00 H new ATOM 0 HD22 ASN A 60 13.958 -17.792 -26.732 1.00 25.00 H new ATOM 926 N ARG A 61 10.575 -14.826 -26.534 1.00 25.00 N ATOM 927 CA ARG A 61 9.312 -15.295 -27.108 1.00 25.00 C ATOM 928 C ARG A 61 8.454 -14.125 -27.581 1.00 25.00 C ATOM 929 O ARG A 61 7.285 -14.316 -27.914 1.00 25.00 O ATOM 930 CB ARG A 61 8.529 -16.121 -26.078 1.00 25.00 C ATOM 931 CG ARG A 61 9.240 -17.405 -25.662 1.00 25.00 C ATOM 932 CD ARG A 61 8.292 -18.331 -24.895 1.00 25.00 C ATOM 933 NE ARG A 61 8.959 -19.561 -24.428 1.00 25.00 N ATOM 934 CZ ARG A 61 9.170 -20.653 -25.159 1.00 25.00 C ATOM 935 NH1 ARG A 61 8.821 -20.741 -26.421 1.00 25.00 N ATOM 936 NH2 ARG A 61 9.747 -21.682 -24.604 1.00 25.00 N ATOM 0 H ARG A 61 10.531 -14.615 -25.537 1.00 25.00 H new ATOM 0 HA ARG A 61 9.552 -15.921 -27.967 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.351 -15.510 -25.193 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.553 -16.373 -26.492 1.00 25.00 H new ATOM 0 HG2 ARG A 61 9.620 -17.918 -26.546 1.00 25.00 H new ATOM 0 HG3 ARG A 61 10.101 -17.163 -25.039 1.00 25.00 H new ATOM 0 HD2 ARG A 61 7.881 -17.797 -24.038 1.00 25.00 H new ATOM 0 HD3 ARG A 61 7.452 -18.598 -25.536 1.00 25.00 H new ATOM 0 HE ARG A 61 9.287 -19.576 -23.462 1.00 25.00 H new ATOM 0 HH11 ARG A 61 8.368 -19.951 -26.881 1.00 25.00 H new ATOM 0 HH12 ARG A 61 9.003 -21.599 -26.942 1.00 25.00 H new ATOM 0 HH21 ARG A 61 10.029 -21.642 -23.625 1.00 25.00 H new ATOM 0 HH22 ARG A 61 9.917 -22.527 -25.149 1.00 25.00 H new ATOM 950 N LEU A 62 9.018 -12.928 -27.603 1.00 25.00 N ATOM 951 CA LEU A 62 8.295 -11.719 -27.997 1.00 25.00 C ATOM 952 C LEU A 62 9.034 -11.000 -29.122 1.00 25.00 C ATOM 953 O LEU A 62 10.251 -11.081 -29.220 1.00 25.00 O ATOM 954 CB LEU A 62 8.207 -10.748 -26.809 1.00 25.00 C ATOM 955 CG LEU A 62 7.520 -11.184 -25.507 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.619 -10.036 -24.495 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.062 -11.544 -25.741 1.00 25.00 C ATOM 0 H LEU A 62 9.992 -12.762 -27.348 1.00 25.00 H new ATOM 0 HA LEU A 62 7.300 -12.018 -28.327 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.226 -10.454 -26.555 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.695 -9.852 -27.161 1.00 25.00 H new ATOM 0 HG LEU A 62 8.020 -12.074 -25.124 1.00 25.00 H new ATOM 0 HD11 LEU A 62 7.135 -10.330 -23.563 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.668 -9.809 -24.304 1.00 25.00 H new ATOM 0 HD13 LEU A 62 7.124 -9.152 -24.898 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.607 -11.848 -24.799 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.532 -10.678 -26.137 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.000 -12.365 -26.455 1.00 25.00 H new ATOM 969 N LYS A 63 8.312 -10.221 -29.919 1.00 25.00 N ATOM 970 CA LYS A 63 8.951 -9.332 -30.898 1.00 25.00 C ATOM 971 C LYS A 63 8.394 -7.922 -30.749 1.00 25.00 C ATOM 972 O LYS A 63 7.198 -7.699 -30.931 1.00 25.00 O ATOM 973 CB LYS A 63 8.737 -9.856 -32.322 1.00 25.00 C ATOM 974 CG LYS A 63 9.567 -9.111 -33.365 1.00 25.00 C ATOM 975 CD LYS A 63 9.462 -9.767 -34.737 1.00 25.00 C ATOM 976 CE LYS A 63 10.402 -9.082 -35.734 1.00 25.00 C ATOM 977 NZ LYS A 63 10.386 -9.750 -37.088 1.00 25.00 N ATOM 0 H LYS A 63 7.293 -10.182 -29.912 1.00 25.00 H new ATOM 0 HA LYS A 63 10.024 -9.307 -30.710 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.990 -10.916 -32.355 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.681 -9.772 -32.579 1.00 25.00 H new ATOM 0 HG2 LYS A 63 9.229 -8.077 -33.429 1.00 25.00 H new ATOM 0 HG3 LYS A 63 10.611 -9.087 -33.051 1.00 25.00 H new ATOM 0 HD2 LYS A 63 9.712 -10.825 -34.661 1.00 25.00 H new ATOM 0 HD3 LYS A 63 8.435 -9.708 -35.097 1.00 25.00 H new ATOM 0 HE2 LYS A 63 10.113 -8.037 -35.843 1.00 25.00 H new ATOM 0 HE3 LYS A 63 11.418 -9.092 -35.338 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 11.037 -9.252 -37.728 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 10.687 -10.741 -36.990 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 9.423 -9.718 -37.479 1.00 25.00 H new ATOM 991 N ILE A 64 9.267 -6.985 -30.404 1.00 25.00 N ATOM 992 CA ILE A 64 8.884 -5.583 -30.186 1.00 25.00 C ATOM 993 C ILE A 64 8.464 -4.962 -31.519 1.00 25.00 C ATOM 994 O ILE A 64 9.153 -5.117 -32.532 1.00 25.00 O ATOM 995 CB ILE A 64 10.079 -4.754 -29.594 1.00 25.00 C ATOM 996 CG1 ILE A 64 10.552 -5.342 -28.240 1.00 25.00 C ATOM 997 CG2 ILE A 64 9.695 -3.256 -29.420 1.00 25.00 C ATOM 998 CD1 ILE A 64 9.677 -4.967 -27.017 1.00 25.00 C ATOM 0 H ILE A 64 10.261 -7.168 -30.266 1.00 25.00 H new ATOM 0 HA ILE A 64 8.058 -5.561 -29.475 1.00 25.00 H new ATOM 0 HB ILE A 64 10.902 -4.819 -30.306 1.00 25.00 H new ATOM 0 HG12 ILE A 64 10.583 -6.428 -28.325 1.00 25.00 H new ATOM 0 HG13 ILE A 64 11.572 -5.007 -28.053 1.00 25.00 H new ATOM 0 HG21 ILE A 64 10.543 -2.708 -29.008 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.426 -2.834 -30.389 1.00 25.00 H new ATOM 0 HG23 ILE A 64 8.846 -3.174 -28.741 1.00 25.00 H new ATOM 0 HD11 ILE A 64 10.091 -5.426 -26.119 1.00 25.00 H new ATOM 0 HD12 ILE A 64 9.664 -3.884 -26.897 1.00 25.00 H new ATOM 0 HD13 ILE A 64 8.660 -5.327 -27.173 1.00 25.00 H new