USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 451 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 THR OG1 : rot 115:sc= 0.367 USER MOD Set 1.2: A 50 THR OG1 : rot -58:sc= 0.969 USER MOD Set 2.1: A 31 GLN : amide:sc= 0.0978 K(o=-2.9,f=-5.3!) USER MOD Set 2.2: A 33 TYR OH : rot 47:sc= -3.01! USER MOD Set 3.1: A 8 TYR OH : rot -15:sc= -6.84! USER MOD Set 3.2: A 16 TYR OH : rot 134:sc= -1.71! USER MOD Set 4.1: A 1 ASP N :NH3+ 134:sc=-0.000304 (180deg=0.0159) USER MOD Set 4.2: A 4 MET CE :methyl -122:sc= -1.44 (180deg=-1.44!) USER MOD Single : A 2 SER OG : rot -163:sc= -2.53! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -159:sc= -0.194 (180deg=-0.908) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -30:sc= 0.681 USER MOD Single : A 34 ASN : amide:sc= -0.925 K(o=-0.92,f=-3.1!) USER MOD Single : A 35 ASN : amide:sc= -8.02! C(o=-8!,f=-21!) USER MOD Single : A 38 MET CE :methyl -122:sc= -0.048 (180deg=-0.444) USER MOD Single : A 41 HIS : no HE2:sc= 0.611 K(o=0.61,f=-2.6!) USER MOD Single : A 43 ASN : amide:sc= -3.45! C(o=-3.4!,f=-7.3!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 51 HIS : no HD1:sc= -7.77! C(o=-7.8!,f=-6.3!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -0.171 -28.521 1.598 1.00 0.00 N ATOM 2 CA ASP A 1 0.383 -27.247 2.137 1.00 0.00 C ATOM 3 C ASP A 1 1.911 -27.286 2.066 1.00 0.00 C ATOM 4 O ASP A 1 2.495 -28.240 1.590 1.00 0.00 O ATOM 5 CB ASP A 1 -0.058 -27.075 3.592 1.00 0.00 C ATOM 6 CG ASP A 1 -1.569 -26.837 3.640 1.00 0.00 C ATOM 7 OD1 ASP A 1 -2.151 -26.641 2.586 1.00 0.00 O ATOM 8 OD2 ASP A 1 -2.117 -26.855 4.730 1.00 0.00 O ATOM 0 H1 ASP A 1 -0.909 -28.877 2.238 1.00 0.00 H new ATOM 0 H2 ASP A 1 -0.581 -28.351 0.658 1.00 0.00 H new ATOM 0 H3 ASP A 1 0.590 -29.226 1.521 1.00 0.00 H new ATOM 0 HA ASP A 1 0.014 -26.410 1.545 1.00 0.00 H new ATOM 0 HB2 ASP A 1 0.200 -27.963 4.169 1.00 0.00 H new ATOM 0 HB3 ASP A 1 0.468 -26.235 4.046 1.00 0.00 H new ATOM 15 N SER A 2 2.566 -26.259 2.534 1.00 0.00 N ATOM 16 CA SER A 2 4.055 -26.241 2.490 1.00 0.00 C ATOM 17 C SER A 2 4.604 -27.499 3.166 1.00 0.00 C ATOM 18 O SER A 2 5.706 -27.929 2.894 1.00 0.00 O ATOM 19 CB SER A 2 4.573 -25.007 3.227 1.00 0.00 C ATOM 20 OG SER A 2 4.549 -23.888 2.351 1.00 0.00 O ATOM 0 H SER A 2 2.134 -25.431 2.945 1.00 0.00 H new ATOM 0 HA SER A 2 4.384 -26.212 1.451 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.957 -24.809 4.104 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.588 -25.182 3.583 1.00 0.00 H new ATOM 0 HG SER A 2 5.115 -23.175 2.715 1.00 0.00 H new ATOM 26 N GLU A 3 3.842 -28.096 4.043 1.00 0.00 N ATOM 27 CA GLU A 3 4.327 -29.327 4.723 1.00 0.00 C ATOM 28 C GLU A 3 4.872 -30.281 3.668 1.00 0.00 C ATOM 29 O GLU A 3 5.742 -31.088 3.929 1.00 0.00 O ATOM 30 CB GLU A 3 3.171 -29.997 5.467 1.00 0.00 C ATOM 31 CG GLU A 3 3.527 -30.123 6.949 1.00 0.00 C ATOM 32 CD GLU A 3 2.638 -31.184 7.600 1.00 0.00 C ATOM 33 OE1 GLU A 3 1.439 -31.139 7.378 1.00 0.00 O ATOM 34 OE2 GLU A 3 3.170 -32.024 8.306 1.00 0.00 O ATOM 0 H GLU A 3 2.910 -27.785 4.316 1.00 0.00 H new ATOM 0 HA GLU A 3 5.108 -29.071 5.439 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.260 -29.411 5.349 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.974 -30.982 5.044 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.577 -30.395 7.060 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.392 -29.164 7.449 1.00 0.00 H new ATOM 41 N MET A 4 4.371 -30.180 2.469 1.00 0.00 N ATOM 42 CA MET A 4 4.861 -31.066 1.380 1.00 0.00 C ATOM 43 C MET A 4 6.177 -30.503 0.849 1.00 0.00 C ATOM 44 O MET A 4 7.086 -31.232 0.504 1.00 0.00 O ATOM 45 CB MET A 4 3.832 -31.115 0.250 1.00 0.00 C ATOM 46 CG MET A 4 2.527 -31.719 0.774 1.00 0.00 C ATOM 47 SD MET A 4 1.339 -31.862 -0.586 1.00 0.00 S ATOM 48 CE MET A 4 1.168 -30.093 -0.924 1.00 0.00 C ATOM 0 H MET A 4 3.642 -29.521 2.197 1.00 0.00 H new ATOM 0 HA MET A 4 5.013 -32.075 1.763 1.00 0.00 H new ATOM 0 HB2 MET A 4 3.652 -30.112 -0.136 1.00 0.00 H new ATOM 0 HB3 MET A 4 4.214 -31.711 -0.579 1.00 0.00 H new ATOM 0 HG2 MET A 4 2.717 -32.700 1.210 1.00 0.00 H new ATOM 0 HG3 MET A 4 2.116 -31.093 1.566 1.00 0.00 H new ATOM 0 HE1 MET A 4 0.122 -29.802 -0.821 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.773 -29.527 -0.216 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.505 -29.882 -1.939 1.00 0.00 H new ATOM 58 N CYS A 5 6.288 -29.203 0.796 1.00 0.00 N ATOM 59 CA CYS A 5 7.547 -28.582 0.303 1.00 0.00 C ATOM 60 C CYS A 5 8.533 -28.468 1.468 1.00 0.00 C ATOM 61 O CYS A 5 9.572 -27.848 1.358 1.00 0.00 O ATOM 62 CB CYS A 5 7.253 -27.185 -0.254 1.00 0.00 C ATOM 63 SG CYS A 5 5.648 -27.189 -1.094 1.00 0.00 S ATOM 0 H CYS A 5 5.560 -28.545 1.073 1.00 0.00 H new ATOM 0 HA CYS A 5 7.974 -29.199 -0.488 1.00 0.00 H new ATOM 0 HB2 CYS A 5 7.250 -26.454 0.554 1.00 0.00 H new ATOM 0 HB3 CYS A 5 8.038 -26.888 -0.950 1.00 0.00 H new ATOM 68 N LYS A 6 8.214 -29.063 2.586 1.00 0.00 N ATOM 69 CA LYS A 6 9.130 -28.990 3.756 1.00 0.00 C ATOM 70 C LYS A 6 10.383 -29.820 3.473 1.00 0.00 C ATOM 71 O LYS A 6 11.447 -29.555 3.995 1.00 0.00 O ATOM 72 CB LYS A 6 8.418 -29.542 4.991 1.00 0.00 C ATOM 73 CG LYS A 6 7.648 -28.412 5.674 1.00 0.00 C ATOM 74 CD LYS A 6 7.273 -28.834 7.096 1.00 0.00 C ATOM 75 CE LYS A 6 6.279 -27.828 7.682 1.00 0.00 C ATOM 76 NZ LYS A 6 6.497 -27.713 9.151 1.00 0.00 N ATOM 0 H LYS A 6 7.358 -29.596 2.738 1.00 0.00 H new ATOM 0 HA LYS A 6 9.415 -27.953 3.934 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.735 -30.342 4.705 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.143 -29.973 5.681 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.256 -27.508 5.700 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.749 -28.175 5.105 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.834 -29.832 7.087 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.166 -28.884 7.719 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.407 -26.855 7.207 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.257 -28.150 7.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.822 -27.030 9.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.354 -28.642 9.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.468 -27.387 9.333 1.00 0.00 H new ATOM 90 N ASP A 7 10.265 -30.824 2.650 1.00 0.00 N ATOM 91 CA ASP A 7 11.449 -31.672 2.332 1.00 0.00 C ATOM 92 C ASP A 7 11.388 -32.120 0.869 1.00 0.00 C ATOM 93 O ASP A 7 11.276 -33.294 0.576 1.00 0.00 O ATOM 94 CB ASP A 7 11.453 -32.903 3.241 1.00 0.00 C ATOM 95 CG ASP A 7 11.890 -32.497 4.649 1.00 0.00 C ATOM 96 OD1 ASP A 7 12.576 -31.495 4.771 1.00 0.00 O ATOM 97 OD2 ASP A 7 11.532 -33.195 5.584 1.00 0.00 O ATOM 0 H ASP A 7 9.400 -31.095 2.183 1.00 0.00 H new ATOM 0 HA ASP A 7 12.359 -31.094 2.494 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.459 -33.348 3.272 1.00 0.00 H new ATOM 0 HB3 ASP A 7 12.129 -33.660 2.843 1.00 0.00 H new ATOM 102 N TYR A 8 11.465 -31.198 -0.052 1.00 0.00 N ATOM 103 CA TYR A 8 11.416 -31.579 -1.493 1.00 0.00 C ATOM 104 C TYR A 8 12.644 -31.015 -2.211 1.00 0.00 C ATOM 105 O TYR A 8 13.512 -30.423 -1.604 1.00 0.00 O ATOM 106 CB TYR A 8 10.141 -31.018 -2.132 1.00 0.00 C ATOM 107 CG TYR A 8 10.274 -29.524 -2.311 1.00 0.00 C ATOM 108 CD1 TYR A 8 10.250 -28.683 -1.193 1.00 0.00 C ATOM 109 CD2 TYR A 8 10.419 -28.979 -3.592 1.00 0.00 C ATOM 110 CE1 TYR A 8 10.371 -27.298 -1.355 1.00 0.00 C ATOM 111 CE2 TYR A 8 10.541 -27.593 -3.755 1.00 0.00 C ATOM 112 CZ TYR A 8 10.516 -26.753 -2.636 1.00 0.00 C ATOM 113 OH TYR A 8 10.636 -25.387 -2.796 1.00 0.00 O ATOM 0 H TYR A 8 11.560 -30.199 0.130 1.00 0.00 H new ATOM 0 HA TYR A 8 11.412 -32.665 -1.581 1.00 0.00 H new ATOM 0 HB2 TYR A 8 9.966 -31.495 -3.096 1.00 0.00 H new ATOM 0 HB3 TYR A 8 9.279 -31.243 -1.504 1.00 0.00 H new ATOM 0 HD1 TYR A 8 10.138 -29.103 -0.204 1.00 0.00 H new ATOM 0 HD2 TYR A 8 10.437 -29.627 -4.455 1.00 0.00 H new ATOM 0 HE1 TYR A 8 10.352 -26.650 -0.491 1.00 0.00 H new ATOM 0 HE2 TYR A 8 10.654 -27.173 -4.744 1.00 0.00 H new ATOM 0 HH TYR A 8 10.364 -24.936 -1.970 1.00 0.00 H new ATOM 123 N ARG A 9 12.724 -31.196 -3.502 1.00 0.00 N ATOM 124 CA ARG A 9 13.900 -30.670 -4.254 1.00 0.00 C ATOM 125 C ARG A 9 13.462 -30.243 -5.656 1.00 0.00 C ATOM 126 O ARG A 9 12.504 -30.756 -6.202 1.00 0.00 O ATOM 127 CB ARG A 9 14.967 -31.763 -4.359 1.00 0.00 C ATOM 128 CG ARG A 9 15.572 -32.014 -2.977 1.00 0.00 C ATOM 129 CD ARG A 9 16.673 -33.071 -3.085 1.00 0.00 C ATOM 130 NE ARG A 9 17.073 -33.512 -1.719 1.00 0.00 N ATOM 131 CZ ARG A 9 17.170 -34.784 -1.447 1.00 0.00 C ATOM 132 NH1 ARG A 9 18.346 -35.341 -1.340 1.00 0.00 N ATOM 133 NH2 ARG A 9 16.092 -35.501 -1.280 1.00 0.00 N ATOM 0 H ARG A 9 12.029 -31.684 -4.067 1.00 0.00 H new ATOM 0 HA ARG A 9 14.313 -29.809 -3.728 1.00 0.00 H new ATOM 0 HB2 ARG A 9 14.526 -32.681 -4.748 1.00 0.00 H new ATOM 0 HB3 ARG A 9 15.745 -31.461 -5.060 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.981 -31.088 -2.574 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.799 -32.349 -2.285 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.318 -33.923 -3.665 1.00 0.00 H new ATOM 0 HD3 ARG A 9 17.534 -32.662 -3.614 1.00 0.00 H new ATOM 0 HE ARG A 9 17.271 -32.819 -0.997 1.00 0.00 H new ATOM 0 HH11 ARG A 9 19.189 -34.781 -1.469 1.00 0.00 H new ATOM 0 HH12 ARG A 9 18.422 -36.336 -1.127 1.00 0.00 H new ATOM 0 HH21 ARG A 9 15.173 -35.067 -1.362 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.169 -36.496 -1.067 1.00 0.00 H new ATOM 147 N VAL A 10 14.155 -29.305 -6.244 1.00 0.00 N ATOM 148 CA VAL A 10 13.777 -28.844 -7.609 1.00 0.00 C ATOM 149 C VAL A 10 15.042 -28.501 -8.401 1.00 0.00 C ATOM 150 O VAL A 10 15.884 -27.749 -7.951 1.00 0.00 O ATOM 151 CB VAL A 10 12.890 -27.603 -7.498 1.00 0.00 C ATOM 152 CG1 VAL A 10 12.758 -26.941 -8.871 1.00 0.00 C ATOM 153 CG2 VAL A 10 11.504 -28.013 -6.994 1.00 0.00 C ATOM 0 H VAL A 10 14.966 -28.839 -5.837 1.00 0.00 H new ATOM 0 HA VAL A 10 13.232 -29.635 -8.123 1.00 0.00 H new ATOM 0 HB VAL A 10 13.339 -26.898 -6.799 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.126 -26.057 -8.789 1.00 0.00 H new ATOM 0 HG12 VAL A 10 13.745 -26.649 -9.231 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.310 -27.644 -9.573 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.870 -27.130 -6.914 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.057 -28.719 -7.694 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.597 -28.483 -6.015 1.00 0.00 H new ATOM 163 N LEU A 11 15.182 -29.051 -9.578 1.00 0.00 N ATOM 164 CA LEU A 11 16.392 -28.761 -10.400 1.00 0.00 C ATOM 165 C LEU A 11 16.012 -27.839 -11.561 1.00 0.00 C ATOM 166 O LEU A 11 14.857 -27.522 -11.760 1.00 0.00 O ATOM 167 CB LEU A 11 16.954 -30.073 -10.949 1.00 0.00 C ATOM 168 CG LEU A 11 18.292 -30.376 -10.273 1.00 0.00 C ATOM 169 CD1 LEU A 11 18.057 -31.281 -9.062 1.00 0.00 C ATOM 170 CD2 LEU A 11 19.218 -31.079 -11.265 1.00 0.00 C ATOM 0 H LEU A 11 14.510 -29.689 -10.005 1.00 0.00 H new ATOM 0 HA LEU A 11 17.146 -28.271 -9.783 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.251 -30.886 -10.769 1.00 0.00 H new ATOM 0 HB3 LEU A 11 17.088 -30.001 -12.028 1.00 0.00 H new ATOM 0 HG LEU A 11 18.753 -29.444 -9.946 1.00 0.00 H new ATOM 0 HD11 LEU A 11 19.010 -31.498 -8.579 1.00 0.00 H new ATOM 0 HD12 LEU A 11 17.398 -30.778 -8.354 1.00 0.00 H new ATOM 0 HD13 LEU A 11 17.595 -32.213 -9.388 1.00 0.00 H new ATOM 0 HD21 LEU A 11 20.171 -31.295 -10.783 1.00 0.00 H new ATOM 0 HD22 LEU A 11 18.759 -32.011 -11.594 1.00 0.00 H new ATOM 0 HD23 LEU A 11 19.385 -30.433 -12.127 1.00 0.00 H new ATOM 182 N PRO A 12 17.012 -27.403 -12.344 1.00 0.00 N ATOM 183 CA PRO A 12 16.791 -26.513 -13.491 1.00 0.00 C ATOM 184 C PRO A 12 16.025 -27.214 -14.617 1.00 0.00 C ATOM 185 O PRO A 12 15.390 -26.582 -15.436 1.00 0.00 O ATOM 186 CB PRO A 12 18.206 -26.166 -13.954 1.00 0.00 C ATOM 187 CG PRO A 12 19.045 -27.302 -13.473 1.00 0.00 C ATOM 188 CD PRO A 12 18.436 -27.741 -12.172 1.00 0.00 C ATOM 0 HA PRO A 12 16.192 -25.643 -13.224 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.256 -26.067 -15.038 1.00 0.00 H new ATOM 0 HB3 PRO A 12 18.541 -25.219 -13.532 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.051 -28.117 -14.196 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.081 -26.992 -13.335 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.580 -28.807 -11.998 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.876 -27.217 -11.323 1.00 0.00 H new ATOM 196 N ARG A 13 16.078 -28.517 -14.661 1.00 0.00 N ATOM 197 CA ARG A 13 15.351 -29.255 -15.731 1.00 0.00 C ATOM 198 C ARG A 13 14.001 -29.727 -15.190 1.00 0.00 C ATOM 199 O ARG A 13 13.053 -29.910 -15.929 1.00 0.00 O ATOM 200 CB ARG A 13 16.181 -30.464 -16.167 1.00 0.00 C ATOM 201 CG ARG A 13 17.471 -29.978 -16.831 1.00 0.00 C ATOM 202 CD ARG A 13 18.258 -31.178 -17.362 1.00 0.00 C ATOM 203 NE ARG A 13 19.593 -30.721 -17.841 1.00 0.00 N ATOM 204 CZ ARG A 13 19.956 -30.942 -19.076 1.00 0.00 C ATOM 205 NH1 ARG A 13 19.505 -31.989 -19.712 1.00 0.00 N ATOM 206 NH2 ARG A 13 20.770 -30.117 -19.674 1.00 0.00 N ATOM 0 H ARG A 13 16.593 -29.102 -14.003 1.00 0.00 H new ATOM 0 HA ARG A 13 15.190 -28.599 -16.587 1.00 0.00 H new ATOM 0 HB2 ARG A 13 16.415 -31.089 -15.305 1.00 0.00 H new ATOM 0 HB3 ARG A 13 15.610 -31.080 -16.862 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.237 -29.294 -17.647 1.00 0.00 H new ATOM 0 HG3 ARG A 13 18.075 -29.423 -16.113 1.00 0.00 H new ATOM 0 HD2 ARG A 13 18.377 -31.925 -16.577 1.00 0.00 H new ATOM 0 HD3 ARG A 13 17.711 -31.655 -18.175 1.00 0.00 H new ATOM 0 HE ARG A 13 20.224 -30.235 -17.204 1.00 0.00 H new ATOM 0 HH11 ARG A 13 18.869 -32.635 -19.244 1.00 0.00 H new ATOM 0 HH12 ARG A 13 19.789 -32.161 -20.676 1.00 0.00 H new ATOM 0 HH21 ARG A 13 21.123 -29.299 -19.177 1.00 0.00 H new ATOM 0 HH22 ARG A 13 21.053 -30.290 -20.638 1.00 0.00 H new ATOM 220 N ILE A 14 13.904 -29.925 -13.904 1.00 0.00 N ATOM 221 CA ILE A 14 12.616 -30.385 -13.313 1.00 0.00 C ATOM 222 C ILE A 14 11.756 -29.172 -12.944 1.00 0.00 C ATOM 223 O ILE A 14 10.562 -29.155 -13.169 1.00 0.00 O ATOM 224 CB ILE A 14 12.901 -31.209 -12.055 1.00 0.00 C ATOM 225 CG1 ILE A 14 13.775 -32.411 -12.419 1.00 0.00 C ATOM 226 CG2 ILE A 14 11.581 -31.702 -11.458 1.00 0.00 C ATOM 227 CD1 ILE A 14 14.318 -33.055 -11.142 1.00 0.00 C ATOM 0 H ILE A 14 14.663 -29.788 -13.236 1.00 0.00 H new ATOM 0 HA ILE A 14 12.082 -30.998 -14.039 1.00 0.00 H new ATOM 0 HB ILE A 14 13.421 -30.589 -11.325 1.00 0.00 H new ATOM 0 HG12 ILE A 14 13.194 -33.138 -12.986 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.599 -32.094 -13.058 1.00 0.00 H new ATOM 0 HG21 ILE A 14 11.784 -32.289 -10.562 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.957 -30.847 -11.198 1.00 0.00 H new ATOM 0 HG23 ILE A 14 11.061 -32.322 -12.188 1.00 0.00 H new ATOM 0 HD11 ILE A 14 14.940 -33.911 -11.403 1.00 0.00 H new ATOM 0 HD12 ILE A 14 14.914 -32.327 -10.592 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.487 -33.387 -10.520 1.00 0.00 H new ATOM 239 N GLY A 15 12.351 -28.156 -12.380 1.00 0.00 N ATOM 240 CA GLY A 15 11.565 -26.946 -11.999 1.00 0.00 C ATOM 241 C GLY A 15 10.549 -27.320 -10.917 1.00 0.00 C ATOM 242 O GLY A 15 10.632 -28.368 -10.309 1.00 0.00 O ATOM 0 H GLY A 15 13.347 -28.111 -12.166 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.232 -26.166 -11.633 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.052 -26.543 -12.872 1.00 0.00 H new ATOM 246 N TYR A 16 9.588 -26.470 -10.671 1.00 0.00 N ATOM 247 CA TYR A 16 8.569 -26.781 -9.629 1.00 0.00 C ATOM 248 C TYR A 16 7.361 -27.453 -10.284 1.00 0.00 C ATOM 249 O TYR A 16 7.048 -27.206 -11.432 1.00 0.00 O ATOM 250 CB TYR A 16 8.126 -25.486 -8.943 1.00 0.00 C ATOM 251 CG TYR A 16 7.969 -25.731 -7.461 1.00 0.00 C ATOM 252 CD1 TYR A 16 6.936 -26.553 -6.995 1.00 0.00 C ATOM 253 CD2 TYR A 16 8.857 -25.139 -6.553 1.00 0.00 C ATOM 254 CE1 TYR A 16 6.790 -26.783 -5.621 1.00 0.00 C ATOM 255 CE2 TYR A 16 8.710 -25.368 -5.180 1.00 0.00 C ATOM 256 CZ TYR A 16 7.677 -26.191 -4.713 1.00 0.00 C ATOM 257 OH TYR A 16 7.534 -26.418 -3.360 1.00 0.00 O ATOM 0 H TYR A 16 9.465 -25.576 -11.146 1.00 0.00 H new ATOM 0 HA TYR A 16 9.001 -27.453 -8.887 1.00 0.00 H new ATOM 0 HB2 TYR A 16 8.861 -24.700 -9.117 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.183 -25.141 -9.368 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.252 -27.010 -7.695 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.655 -24.506 -6.913 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.993 -27.417 -5.262 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.393 -24.910 -4.480 1.00 0.00 H new ATOM 0 HH TYR A 16 8.408 -26.630 -2.970 1.00 0.00 H new ATOM 267 N LEU A 17 6.681 -28.306 -9.567 1.00 0.00 N ATOM 268 CA LEU A 17 5.497 -28.996 -10.152 1.00 0.00 C ATOM 269 C LEU A 17 4.234 -28.587 -9.389 1.00 0.00 C ATOM 270 O LEU A 17 4.016 -28.997 -8.266 1.00 0.00 O ATOM 271 CB LEU A 17 5.690 -30.511 -10.046 1.00 0.00 C ATOM 272 CG LEU A 17 4.494 -31.226 -10.678 1.00 0.00 C ATOM 273 CD1 LEU A 17 4.553 -31.073 -12.199 1.00 0.00 C ATOM 274 CD2 LEU A 17 4.539 -32.711 -10.313 1.00 0.00 C ATOM 0 H LEU A 17 6.895 -28.555 -8.601 1.00 0.00 H new ATOM 0 HA LEU A 17 5.392 -28.713 -11.199 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.611 -30.807 -10.549 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.790 -30.803 -9.001 1.00 0.00 H new ATOM 0 HG LEU A 17 3.569 -30.787 -10.305 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.701 -31.582 -12.649 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.523 -30.015 -12.460 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.478 -31.512 -12.573 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.688 -33.222 -10.762 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.464 -33.150 -10.687 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.497 -32.821 -9.229 1.00 0.00 H new ATOM 286 N CYS A 18 3.401 -27.781 -9.991 1.00 0.00 N ATOM 287 CA CYS A 18 2.153 -27.347 -9.300 1.00 0.00 C ATOM 288 C CYS A 18 0.943 -27.666 -10.180 1.00 0.00 C ATOM 289 O CYS A 18 1.053 -27.786 -11.384 1.00 0.00 O ATOM 290 CB CYS A 18 2.213 -25.840 -9.039 1.00 0.00 C ATOM 291 SG CYS A 18 3.712 -25.451 -8.103 1.00 0.00 S ATOM 0 H CYS A 18 3.531 -27.405 -10.930 1.00 0.00 H new ATOM 0 HA CYS A 18 2.060 -27.877 -8.352 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.209 -25.296 -9.983 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.331 -25.521 -8.484 1.00 0.00 H new ATOM 296 N PRO A 19 -0.237 -27.806 -9.557 1.00 0.00 N ATOM 297 CA PRO A 19 -1.481 -28.111 -10.273 1.00 0.00 C ATOM 298 C PRO A 19 -1.979 -26.908 -11.079 1.00 0.00 C ATOM 299 O PRO A 19 -1.503 -25.802 -10.918 1.00 0.00 O ATOM 300 CB PRO A 19 -2.470 -28.433 -9.154 1.00 0.00 C ATOM 301 CG PRO A 19 -1.942 -27.709 -7.961 1.00 0.00 C ATOM 302 CD PRO A 19 -0.445 -27.677 -8.105 1.00 0.00 C ATOM 0 HA PRO A 19 -1.352 -28.921 -10.991 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.476 -28.099 -9.407 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.527 -29.506 -8.973 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.348 -26.699 -7.910 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.232 -28.216 -7.041 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.024 -26.748 -7.720 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.028 -28.492 -7.558 1.00 0.00 H new ATOM 310 N LYS A 20 -2.932 -27.114 -11.947 1.00 0.00 N ATOM 311 CA LYS A 20 -3.456 -25.980 -12.758 1.00 0.00 C ATOM 312 C LYS A 20 -4.525 -25.231 -11.960 1.00 0.00 C ATOM 313 O LYS A 20 -4.762 -24.058 -12.170 1.00 0.00 O ATOM 314 CB LYS A 20 -4.068 -26.518 -14.055 1.00 0.00 C ATOM 315 CG LYS A 20 -4.180 -25.382 -15.075 1.00 0.00 C ATOM 316 CD LYS A 20 -4.593 -25.955 -16.432 1.00 0.00 C ATOM 317 CE LYS A 20 -4.729 -24.817 -17.447 1.00 0.00 C ATOM 318 NZ LYS A 20 -5.696 -23.805 -16.931 1.00 0.00 N ATOM 0 H LYS A 20 -3.369 -28.017 -12.129 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.640 -25.299 -12.998 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.450 -27.321 -14.456 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.052 -26.942 -13.857 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.913 -24.648 -14.739 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.226 -24.862 -15.163 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.851 -26.676 -16.775 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.538 -26.490 -16.340 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.758 -24.353 -17.621 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.072 -25.208 -18.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.061 -23.239 -17.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.486 -24.289 -16.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.216 -23.181 -16.252 1.00 0.00 H new ATOM 332 N ASP A 21 -5.174 -25.899 -11.045 1.00 0.00 N ATOM 333 CA ASP A 21 -6.226 -25.224 -10.234 1.00 0.00 C ATOM 334 C ASP A 21 -5.597 -24.091 -9.422 1.00 0.00 C ATOM 335 O ASP A 21 -4.757 -24.314 -8.572 1.00 0.00 O ATOM 336 CB ASP A 21 -6.867 -26.237 -9.283 1.00 0.00 C ATOM 337 CG ASP A 21 -8.203 -25.687 -8.779 1.00 0.00 C ATOM 338 OD1 ASP A 21 -8.539 -24.572 -9.144 1.00 0.00 O ATOM 339 OD2 ASP A 21 -8.868 -26.390 -8.036 1.00 0.00 O ATOM 0 H ASP A 21 -5.021 -26.883 -10.824 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.988 -24.816 -10.898 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.022 -27.186 -9.796 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.202 -26.434 -8.442 1.00 0.00 H new ATOM 344 N LEU A 22 -5.998 -22.875 -9.674 1.00 0.00 N ATOM 345 CA LEU A 22 -5.427 -21.729 -8.914 1.00 0.00 C ATOM 346 C LEU A 22 -6.193 -21.563 -7.601 1.00 0.00 C ATOM 347 O LEU A 22 -7.302 -21.069 -7.577 1.00 0.00 O ATOM 348 CB LEU A 22 -5.553 -20.451 -9.749 1.00 0.00 C ATOM 349 CG LEU A 22 -4.859 -19.284 -9.033 1.00 0.00 C ATOM 350 CD1 LEU A 22 -5.764 -18.755 -7.917 1.00 0.00 C ATOM 351 CD2 LEU A 22 -3.532 -19.752 -8.431 1.00 0.00 C ATOM 0 H LEU A 22 -6.697 -22.626 -10.374 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.375 -21.917 -8.700 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.106 -20.603 -10.731 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.605 -20.215 -9.911 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.665 -18.491 -9.755 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.270 -17.927 -7.410 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.705 -18.409 -8.345 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.963 -19.552 -7.201 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.047 -18.917 -7.925 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.720 -20.551 -7.714 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.883 -20.122 -9.225 1.00 0.00 H new ATOM 363 N LYS A 23 -5.609 -21.970 -6.508 1.00 0.00 N ATOM 364 CA LYS A 23 -6.306 -21.834 -5.198 1.00 0.00 C ATOM 365 C LYS A 23 -5.518 -20.876 -4.306 1.00 0.00 C ATOM 366 O LYS A 23 -4.427 -21.179 -3.867 1.00 0.00 O ATOM 367 CB LYS A 23 -6.403 -23.204 -4.520 1.00 0.00 C ATOM 368 CG LYS A 23 -7.277 -24.131 -5.366 1.00 0.00 C ATOM 369 CD LYS A 23 -7.820 -25.261 -4.488 1.00 0.00 C ATOM 370 CE LYS A 23 -9.058 -24.771 -3.736 1.00 0.00 C ATOM 371 NZ LYS A 23 -10.022 -25.897 -3.579 1.00 0.00 N ATOM 0 H LYS A 23 -4.681 -22.390 -6.465 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.310 -21.442 -5.359 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.408 -23.634 -4.400 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.827 -23.098 -3.521 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.101 -23.570 -5.806 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.696 -24.544 -6.191 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.073 -26.125 -5.103 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.057 -25.586 -3.781 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.773 -24.383 -2.758 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.526 -23.951 -4.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.864 -25.564 -3.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.303 -26.247 -4.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.573 -26.666 -3.042 1.00 0.00 H new ATOM 385 N PRO A 24 -6.089 -19.691 -4.037 1.00 0.00 N ATOM 386 CA PRO A 24 -5.447 -18.663 -3.202 1.00 0.00 C ATOM 387 C PRO A 24 -5.238 -19.135 -1.763 1.00 0.00 C ATOM 388 O PRO A 24 -6.171 -19.484 -1.071 1.00 0.00 O ATOM 389 CB PRO A 24 -6.443 -17.501 -3.247 1.00 0.00 C ATOM 390 CG PRO A 24 -7.747 -18.147 -3.561 1.00 0.00 C ATOM 391 CD PRO A 24 -7.414 -19.260 -4.513 1.00 0.00 C ATOM 0 HA PRO A 24 -4.452 -18.403 -3.563 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.480 -16.972 -2.295 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.168 -16.770 -4.007 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.225 -18.530 -2.659 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.440 -17.437 -4.012 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.145 -20.067 -4.467 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.383 -18.916 -5.547 1.00 0.00 H new ATOM 399 N VAL A 25 -4.013 -19.148 -1.311 1.00 0.00 N ATOM 400 CA VAL A 25 -3.736 -19.596 0.083 1.00 0.00 C ATOM 401 C VAL A 25 -3.187 -18.425 0.898 1.00 0.00 C ATOM 402 O VAL A 25 -2.639 -17.483 0.360 1.00 0.00 O ATOM 403 CB VAL A 25 -2.686 -20.711 0.064 1.00 0.00 C ATOM 404 CG1 VAL A 25 -3.080 -21.787 -0.946 1.00 0.00 C ATOM 405 CG2 VAL A 25 -1.329 -20.121 -0.330 1.00 0.00 C ATOM 0 H VAL A 25 -3.192 -18.868 -1.848 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.661 -19.961 0.530 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.623 -21.159 1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.326 -22.575 -0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.045 -22.210 -0.669 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.150 -21.345 -1.940 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.579 -20.912 -0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.401 -19.671 -1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.039 -19.359 0.394 1.00 0.00 H new ATOM 415 N CYS A 26 -3.305 -18.488 2.196 1.00 0.00 N ATOM 416 CA CYS A 26 -2.765 -17.390 3.044 1.00 0.00 C ATOM 417 C CYS A 26 -1.381 -17.808 3.550 1.00 0.00 C ATOM 418 O CYS A 26 -1.158 -18.954 3.885 1.00 0.00 O ATOM 419 CB CYS A 26 -3.697 -17.144 4.233 1.00 0.00 C ATOM 420 SG CYS A 26 -3.140 -15.683 5.145 1.00 0.00 S ATOM 0 H CYS A 26 -3.751 -19.251 2.705 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.691 -16.471 2.463 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.719 -17.000 3.884 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.704 -18.014 4.889 1.00 0.00 H new ATOM 425 N GLY A 27 -0.447 -16.899 3.599 1.00 0.00 N ATOM 426 CA GLY A 27 0.917 -17.268 4.076 1.00 0.00 C ATOM 427 C GLY A 27 1.060 -16.915 5.558 1.00 0.00 C ATOM 428 O GLY A 27 0.666 -15.852 5.995 1.00 0.00 O ATOM 0 H GLY A 27 -0.567 -15.922 3.331 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.088 -18.334 3.928 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.672 -16.741 3.492 1.00 0.00 H new ATOM 432 N ASP A 28 1.619 -17.803 6.333 1.00 0.00 N ATOM 433 CA ASP A 28 1.788 -17.526 7.789 1.00 0.00 C ATOM 434 C ASP A 28 2.696 -16.308 7.981 1.00 0.00 C ATOM 435 O ASP A 28 2.797 -15.764 9.063 1.00 0.00 O ATOM 436 CB ASP A 28 2.420 -18.743 8.468 1.00 0.00 C ATOM 437 CG ASP A 28 3.792 -19.021 7.847 1.00 0.00 C ATOM 438 OD1 ASP A 28 4.242 -18.202 7.065 1.00 0.00 O ATOM 439 OD2 ASP A 28 4.365 -20.050 8.166 1.00 0.00 O ATOM 0 H ASP A 28 1.967 -18.710 6.021 1.00 0.00 H new ATOM 0 HA ASP A 28 0.813 -17.323 8.233 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.523 -18.563 9.538 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.774 -19.613 8.352 1.00 0.00 H new ATOM 444 N ASP A 29 3.355 -15.874 6.942 1.00 0.00 N ATOM 445 CA ASP A 29 4.252 -14.691 7.073 1.00 0.00 C ATOM 446 C ASP A 29 3.445 -13.411 6.846 1.00 0.00 C ATOM 447 O ASP A 29 3.994 -12.335 6.708 1.00 0.00 O ATOM 448 CB ASP A 29 5.368 -14.780 6.030 1.00 0.00 C ATOM 449 CG ASP A 29 6.392 -15.830 6.465 1.00 0.00 C ATOM 450 OD1 ASP A 29 6.140 -16.500 7.454 1.00 0.00 O ATOM 451 OD2 ASP A 29 7.409 -15.948 5.804 1.00 0.00 O ATOM 0 H ASP A 29 3.311 -16.286 6.010 1.00 0.00 H new ATOM 0 HA ASP A 29 4.687 -14.674 8.072 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.951 -15.044 5.058 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.852 -13.810 5.916 1.00 0.00 H new ATOM 456 N GLY A 30 2.145 -13.518 6.804 1.00 0.00 N ATOM 457 CA GLY A 30 1.305 -12.307 6.583 1.00 0.00 C ATOM 458 C GLY A 30 1.204 -12.027 5.082 1.00 0.00 C ATOM 459 O GLY A 30 0.854 -10.941 4.665 1.00 0.00 O ATOM 0 H GLY A 30 1.629 -14.391 6.913 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.311 -12.458 7.004 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.741 -11.450 7.096 1.00 0.00 H new ATOM 463 N GLN A 31 1.510 -12.999 4.268 1.00 0.00 N ATOM 464 CA GLN A 31 1.433 -12.792 2.794 1.00 0.00 C ATOM 465 C GLN A 31 0.388 -13.735 2.200 1.00 0.00 C ATOM 466 O GLN A 31 -0.216 -14.524 2.896 1.00 0.00 O ATOM 467 CB GLN A 31 2.796 -13.088 2.167 1.00 0.00 C ATOM 468 CG GLN A 31 3.690 -11.852 2.273 1.00 0.00 C ATOM 469 CD GLN A 31 5.116 -12.220 1.864 1.00 0.00 C ATOM 470 OE1 GLN A 31 5.368 -13.321 1.415 1.00 0.00 O ATOM 471 NE2 GLN A 31 6.069 -11.338 1.999 1.00 0.00 N ATOM 0 H GLN A 31 1.810 -13.929 4.560 1.00 0.00 H new ATOM 0 HA GLN A 31 1.151 -11.759 2.587 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.264 -13.932 2.673 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.673 -13.371 1.122 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.309 -11.058 1.631 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.680 -11.469 3.293 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.859 -10.414 2.376 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.024 -11.573 1.728 1.00 0.00 H new ATOM 480 N THR A 32 0.177 -13.665 0.915 1.00 0.00 N ATOM 481 CA THR A 32 -0.823 -14.562 0.273 1.00 0.00 C ATOM 482 C THR A 32 -0.271 -15.056 -1.065 1.00 0.00 C ATOM 483 O THR A 32 0.391 -14.332 -1.779 1.00 0.00 O ATOM 484 CB THR A 32 -2.126 -13.796 0.036 1.00 0.00 C ATOM 485 OG1 THR A 32 -2.512 -13.136 1.234 1.00 0.00 O ATOM 486 CG2 THR A 32 -3.222 -14.776 -0.387 1.00 0.00 C ATOM 0 H THR A 32 0.655 -13.024 0.281 1.00 0.00 H new ATOM 0 HA THR A 32 -1.020 -15.412 0.926 1.00 0.00 H new ATOM 0 HB THR A 32 -1.977 -13.057 -0.751 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.201 -13.652 2.007 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.151 -14.232 -0.556 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.924 -15.280 -1.306 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.373 -15.515 0.400 1.00 0.00 H new ATOM 494 N TYR A 33 -0.536 -16.286 -1.407 1.00 0.00 N ATOM 495 CA TYR A 33 -0.022 -16.827 -2.696 1.00 0.00 C ATOM 496 C TYR A 33 -1.194 -17.317 -3.545 1.00 0.00 C ATOM 497 O TYR A 33 -2.089 -17.981 -3.060 1.00 0.00 O ATOM 498 CB TYR A 33 0.934 -17.983 -2.406 1.00 0.00 C ATOM 499 CG TYR A 33 1.891 -17.567 -1.313 1.00 0.00 C ATOM 500 CD1 TYR A 33 3.054 -16.856 -1.633 1.00 0.00 C ATOM 501 CD2 TYR A 33 1.611 -17.889 0.020 1.00 0.00 C ATOM 502 CE1 TYR A 33 3.937 -16.466 -0.618 1.00 0.00 C ATOM 503 CE2 TYR A 33 2.494 -17.498 1.034 1.00 0.00 C ATOM 504 CZ TYR A 33 3.657 -16.788 0.714 1.00 0.00 C ATOM 505 OH TYR A 33 4.527 -16.403 1.715 1.00 0.00 O ATOM 0 H TYR A 33 -1.086 -16.940 -0.850 1.00 0.00 H new ATOM 0 HA TYR A 33 0.509 -16.047 -3.242 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.374 -18.867 -2.100 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.485 -18.251 -3.307 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.270 -16.608 -2.662 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.715 -18.439 0.266 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.834 -15.917 -0.864 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.278 -17.744 2.063 1.00 0.00 H new ATOM 0 HH TYR A 33 4.766 -15.460 1.596 1.00 0.00 H new ATOM 515 N ASN A 34 -1.203 -16.988 -4.807 1.00 0.00 N ATOM 516 CA ASN A 34 -2.329 -17.429 -5.681 1.00 0.00 C ATOM 517 C ASN A 34 -2.480 -18.948 -5.591 1.00 0.00 C ATOM 518 O ASN A 34 -3.347 -19.450 -4.912 1.00 0.00 O ATOM 519 CB ASN A 34 -2.070 -17.014 -7.136 1.00 0.00 C ATOM 520 CG ASN A 34 -1.331 -15.675 -7.172 1.00 0.00 C ATOM 521 OD1 ASN A 34 -1.435 -14.885 -6.255 1.00 0.00 O ATOM 522 ND2 ASN A 34 -0.583 -15.387 -8.200 1.00 0.00 N ATOM 0 H ASN A 34 -0.482 -16.435 -5.271 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.249 -16.952 -5.343 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.480 -17.778 -7.642 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.015 -16.932 -7.674 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.084 -14.498 -8.235 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.496 -16.051 -8.970 1.00 0.00 H new ATOM 529 N ASN A 35 -1.649 -19.685 -6.270 1.00 0.00 N ATOM 530 CA ASN A 35 -1.758 -21.171 -6.211 1.00 0.00 C ATOM 531 C ASN A 35 -1.056 -21.685 -4.953 1.00 0.00 C ATOM 532 O ASN A 35 -0.067 -21.130 -4.516 1.00 0.00 O ATOM 533 CB ASN A 35 -1.118 -21.772 -7.466 1.00 0.00 C ATOM 534 CG ASN A 35 -0.990 -23.288 -7.318 1.00 0.00 C ATOM 535 OD1 ASN A 35 -0.370 -23.770 -6.394 1.00 0.00 O ATOM 536 ND2 ASN A 35 -1.555 -24.064 -8.202 1.00 0.00 N ATOM 0 H ASN A 35 -0.900 -19.326 -6.862 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.806 -21.467 -6.171 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.723 -21.534 -8.341 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.135 -21.331 -7.629 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.475 -25.077 -8.116 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.076 -23.657 -8.979 1.00 0.00 H new ATOM 543 N PRO A 36 -1.579 -22.770 -4.358 1.00 0.00 N ATOM 544 CA PRO A 36 -1.004 -23.364 -3.141 1.00 0.00 C ATOM 545 C PRO A 36 0.407 -23.899 -3.387 1.00 0.00 C ATOM 546 O PRO A 36 1.338 -23.559 -2.684 1.00 0.00 O ATOM 547 CB PRO A 36 -1.968 -24.508 -2.815 1.00 0.00 C ATOM 548 CG PRO A 36 -2.606 -24.831 -4.122 1.00 0.00 C ATOM 549 CD PRO A 36 -2.766 -23.511 -4.818 1.00 0.00 C ATOM 0 HA PRO A 36 -0.902 -22.641 -2.332 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.440 -25.369 -2.406 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.708 -24.206 -2.074 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.986 -25.511 -4.706 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.569 -25.321 -3.980 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.782 -23.622 -5.902 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.693 -23.011 -4.535 1.00 0.00 H new ATOM 557 N CYS A 37 0.583 -24.714 -4.388 1.00 0.00 N ATOM 558 CA CYS A 37 1.945 -25.238 -4.677 1.00 0.00 C ATOM 559 C CYS A 37 2.837 -24.054 -5.053 1.00 0.00 C ATOM 560 O CYS A 37 4.043 -24.094 -4.904 1.00 0.00 O ATOM 561 CB CYS A 37 1.880 -26.237 -5.834 1.00 0.00 C ATOM 562 SG CYS A 37 3.552 -26.580 -6.438 1.00 0.00 S ATOM 0 H CYS A 37 -0.153 -25.038 -5.015 1.00 0.00 H new ATOM 0 HA CYS A 37 2.350 -25.750 -3.804 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.406 -27.161 -5.503 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.267 -25.835 -6.640 1.00 0.00 H new ATOM 567 N MET A 38 2.241 -22.994 -5.526 1.00 0.00 N ATOM 568 CA MET A 38 3.030 -21.788 -5.901 1.00 0.00 C ATOM 569 C MET A 38 3.491 -21.083 -4.626 1.00 0.00 C ATOM 570 O MET A 38 4.389 -20.264 -4.646 1.00 0.00 O ATOM 571 CB MET A 38 2.151 -20.840 -6.720 1.00 0.00 C ATOM 572 CG MET A 38 2.158 -21.274 -8.187 1.00 0.00 C ATOM 573 SD MET A 38 1.308 -20.030 -9.190 1.00 0.00 S ATOM 574 CE MET A 38 2.656 -18.823 -9.247 1.00 0.00 C ATOM 0 H MET A 38 1.234 -22.912 -5.669 1.00 0.00 H new ATOM 0 HA MET A 38 3.896 -22.080 -6.495 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.132 -20.847 -6.333 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.519 -19.818 -6.631 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.183 -21.399 -8.535 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.666 -22.241 -8.293 1.00 0.00 H new ATOM 0 HE1 MET A 38 2.312 -17.874 -8.836 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.498 -19.189 -8.659 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.971 -18.678 -10.280 1.00 0.00 H new ATOM 584 N LEU A 39 2.888 -21.402 -3.511 1.00 0.00 N ATOM 585 CA LEU A 39 3.299 -20.756 -2.236 1.00 0.00 C ATOM 586 C LEU A 39 4.735 -21.165 -1.924 1.00 0.00 C ATOM 587 O LEU A 39 5.590 -20.335 -1.687 1.00 0.00 O ATOM 588 CB LEU A 39 2.379 -21.215 -1.103 1.00 0.00 C ATOM 589 CG LEU A 39 2.886 -20.651 0.227 1.00 0.00 C ATOM 590 CD1 LEU A 39 1.706 -20.448 1.179 1.00 0.00 C ATOM 591 CD2 LEU A 39 3.870 -21.633 0.858 1.00 0.00 C ATOM 0 H LEU A 39 2.131 -22.081 -3.431 1.00 0.00 H new ATOM 0 HA LEU A 39 3.230 -19.672 -2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.360 -20.877 -1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.351 -22.304 -1.061 1.00 0.00 H new ATOM 0 HG LEU A 39 3.383 -19.698 0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.067 -20.046 2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.997 -19.749 0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.212 -21.404 1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.230 -21.230 1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.370 -22.585 1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.713 -21.786 0.185 1.00 0.00 H new ATOM 603 N CYS A 40 5.012 -22.441 -1.936 1.00 0.00 N ATOM 604 CA CYS A 40 6.401 -22.892 -1.653 1.00 0.00 C ATOM 605 C CYS A 40 7.345 -22.163 -2.605 1.00 0.00 C ATOM 606 O CYS A 40 8.426 -21.755 -2.235 1.00 0.00 O ATOM 607 CB CYS A 40 6.522 -24.401 -1.868 1.00 0.00 C ATOM 608 SG CYS A 40 5.101 -25.243 -1.127 1.00 0.00 S ATOM 0 H CYS A 40 4.341 -23.184 -2.128 1.00 0.00 H new ATOM 0 HA CYS A 40 6.657 -22.669 -0.617 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.572 -24.623 -2.934 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.447 -24.768 -1.422 1.00 0.00 H new ATOM 613 N HIS A 41 6.937 -21.976 -3.828 1.00 0.00 N ATOM 614 CA HIS A 41 7.806 -21.248 -4.788 1.00 0.00 C ATOM 615 C HIS A 41 8.308 -19.984 -4.103 1.00 0.00 C ATOM 616 O HIS A 41 9.489 -19.698 -4.080 1.00 0.00 O ATOM 617 CB HIS A 41 6.988 -20.869 -6.019 1.00 0.00 C ATOM 618 CG HIS A 41 7.866 -20.895 -7.239 1.00 0.00 C ATOM 619 ND1 HIS A 41 8.544 -22.035 -7.640 1.00 0.00 N ATOM 620 CD2 HIS A 41 8.191 -19.925 -8.155 1.00 0.00 C ATOM 621 CE1 HIS A 41 9.236 -21.726 -8.752 1.00 0.00 C ATOM 622 NE2 HIS A 41 9.056 -20.452 -9.109 1.00 0.00 N ATOM 0 H HIS A 41 6.043 -22.295 -4.202 1.00 0.00 H new ATOM 0 HA HIS A 41 8.645 -21.872 -5.095 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.157 -21.563 -6.143 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.558 -19.876 -5.890 1.00 0.00 H new ATOM 0 HD1 HIS A 41 8.522 -22.943 -7.177 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.830 -18.907 -8.138 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.861 -22.423 -9.290 1.00 0.00 H new ATOM 630 N GLU A 42 7.410 -19.233 -3.529 1.00 0.00 N ATOM 631 CA GLU A 42 7.815 -17.992 -2.824 1.00 0.00 C ATOM 632 C GLU A 42 8.844 -18.350 -1.754 1.00 0.00 C ATOM 633 O GLU A 42 9.667 -17.541 -1.373 1.00 0.00 O ATOM 634 CB GLU A 42 6.585 -17.361 -2.169 1.00 0.00 C ATOM 635 CG GLU A 42 5.870 -16.468 -3.186 1.00 0.00 C ATOM 636 CD GLU A 42 6.851 -15.426 -3.728 1.00 0.00 C ATOM 637 OE1 GLU A 42 7.626 -14.906 -2.943 1.00 0.00 O ATOM 638 OE2 GLU A 42 6.808 -15.166 -4.919 1.00 0.00 O ATOM 0 H GLU A 42 6.409 -19.429 -3.520 1.00 0.00 H new ATOM 0 HA GLU A 42 8.249 -17.283 -3.528 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.909 -18.139 -1.813 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.883 -16.775 -1.300 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.476 -17.072 -4.003 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.019 -15.973 -2.717 1.00 0.00 H new ATOM 645 N ASN A 43 8.812 -19.564 -1.272 1.00 0.00 N ATOM 646 CA ASN A 43 9.804 -19.973 -0.232 1.00 0.00 C ATOM 647 C ASN A 43 11.166 -20.171 -0.899 1.00 0.00 C ATOM 648 O ASN A 43 12.199 -19.910 -0.315 1.00 0.00 O ATOM 649 CB ASN A 43 9.374 -21.288 0.429 1.00 0.00 C ATOM 650 CG ASN A 43 8.127 -21.063 1.288 1.00 0.00 C ATOM 651 OD1 ASN A 43 8.181 -21.179 2.497 1.00 0.00 O ATOM 652 ND2 ASN A 43 6.999 -20.746 0.716 1.00 0.00 N ATOM 0 H ASN A 43 8.148 -20.286 -1.550 1.00 0.00 H new ATOM 0 HA ASN A 43 9.863 -19.197 0.531 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.168 -22.038 -0.335 1.00 0.00 H new ATOM 0 HB3 ASN A 43 10.185 -21.676 1.046 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.164 -20.596 1.283 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.951 -20.648 -0.298 1.00 0.00 H new ATOM 659 N LEU A 44 11.173 -20.631 -2.121 1.00 0.00 N ATOM 660 CA LEU A 44 12.463 -20.848 -2.833 1.00 0.00 C ATOM 661 C LEU A 44 13.171 -19.505 -3.023 1.00 0.00 C ATOM 662 O LEU A 44 14.359 -19.382 -2.807 1.00 0.00 O ATOM 663 CB LEU A 44 12.191 -21.483 -4.199 1.00 0.00 C ATOM 664 CG LEU A 44 11.629 -22.892 -4.003 1.00 0.00 C ATOM 665 CD1 LEU A 44 11.543 -23.598 -5.357 1.00 0.00 C ATOM 666 CD2 LEU A 44 12.549 -23.683 -3.071 1.00 0.00 C ATOM 0 H LEU A 44 10.338 -20.866 -2.657 1.00 0.00 H new ATOM 0 HA LEU A 44 13.097 -21.512 -2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.484 -20.873 -4.761 1.00 0.00 H new ATOM 0 HB3 LEU A 44 13.111 -21.525 -4.782 1.00 0.00 H new ATOM 0 HG LEU A 44 10.634 -22.829 -3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.143 -24.602 -5.219 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.887 -23.034 -6.020 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.538 -23.661 -5.798 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.149 -24.687 -2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.544 -23.747 -3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.610 -23.179 -2.106 1.00 0.00 H new ATOM 678 N ILE A 45 12.447 -18.495 -3.423 1.00 0.00 N ATOM 679 CA ILE A 45 13.080 -17.160 -3.620 1.00 0.00 C ATOM 680 C ILE A 45 13.349 -16.527 -2.255 1.00 0.00 C ATOM 681 O ILE A 45 14.450 -16.108 -1.959 1.00 0.00 O ATOM 682 CB ILE A 45 12.139 -16.260 -4.424 1.00 0.00 C ATOM 683 CG1 ILE A 45 11.492 -17.071 -5.550 1.00 0.00 C ATOM 684 CG2 ILE A 45 12.935 -15.099 -5.027 1.00 0.00 C ATOM 685 CD1 ILE A 45 12.581 -17.792 -6.349 1.00 0.00 C ATOM 0 H ILE A 45 11.447 -18.536 -3.621 1.00 0.00 H new ATOM 0 HA ILE A 45 14.018 -17.276 -4.163 1.00 0.00 H new ATOM 0 HB ILE A 45 11.363 -15.868 -3.766 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.791 -17.795 -5.135 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.921 -16.413 -6.205 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.265 -14.458 -5.600 1.00 0.00 H new ATOM 0 HG22 ILE A 45 13.396 -14.520 -4.227 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.711 -15.492 -5.684 1.00 0.00 H new ATOM 0 HD11 ILE A 45 12.122 -18.370 -7.151 1.00 0.00 H new ATOM 0 HD12 ILE A 45 13.265 -17.058 -6.776 1.00 0.00 H new ATOM 0 HD13 ILE A 45 13.133 -18.462 -5.690 1.00 0.00 H new ATOM 697 N ARG A 46 12.351 -16.459 -1.417 1.00 0.00 N ATOM 698 CA ARG A 46 12.553 -15.858 -0.068 1.00 0.00 C ATOM 699 C ARG A 46 13.491 -16.751 0.745 1.00 0.00 C ATOM 700 O ARG A 46 14.121 -16.312 1.687 1.00 0.00 O ATOM 701 CB ARG A 46 11.206 -15.747 0.651 1.00 0.00 C ATOM 702 CG ARG A 46 10.251 -14.892 -0.183 1.00 0.00 C ATOM 703 CD ARG A 46 8.900 -14.796 0.530 1.00 0.00 C ATOM 704 NE ARG A 46 7.918 -14.109 -0.355 1.00 0.00 N ATOM 705 CZ ARG A 46 8.210 -12.948 -0.875 1.00 0.00 C ATOM 706 NH1 ARG A 46 9.130 -12.200 -0.328 1.00 0.00 N ATOM 707 NH2 ARG A 46 7.582 -12.536 -1.941 1.00 0.00 N ATOM 0 H ARG A 46 11.406 -16.793 -1.607 1.00 0.00 H new ATOM 0 HA ARG A 46 12.990 -14.865 -0.173 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.782 -16.739 0.806 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.343 -15.302 1.636 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.670 -13.896 -0.328 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.122 -15.331 -1.172 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.540 -15.793 0.785 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.009 -14.247 1.465 1.00 0.00 H new ATOM 0 HE ARG A 46 7.018 -14.546 -0.554 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.621 -12.523 0.506 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.358 -11.293 -0.735 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.863 -13.121 -2.368 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.809 -11.629 -2.348 1.00 0.00 H new ATOM 721 N GLN A 47 13.589 -18.003 0.386 1.00 0.00 N ATOM 722 CA GLN A 47 14.486 -18.927 1.135 1.00 0.00 C ATOM 723 C GLN A 47 14.020 -19.028 2.588 1.00 0.00 C ATOM 724 O GLN A 47 14.814 -19.148 3.499 1.00 0.00 O ATOM 725 CB GLN A 47 15.919 -18.391 1.095 1.00 0.00 C ATOM 726 CG GLN A 47 16.400 -18.331 -0.356 1.00 0.00 C ATOM 727 CD GLN A 47 17.828 -17.783 -0.395 1.00 0.00 C ATOM 728 OE1 GLN A 47 18.301 -17.219 0.572 1.00 0.00 O ATOM 729 NE2 GLN A 47 18.539 -17.927 -1.478 1.00 0.00 N ATOM 0 H GLN A 47 13.086 -18.425 -0.394 1.00 0.00 H new ATOM 0 HA GLN A 47 14.454 -19.915 0.675 1.00 0.00 H new ATOM 0 HB2 GLN A 47 15.960 -17.399 1.544 1.00 0.00 H new ATOM 0 HB3 GLN A 47 16.576 -19.034 1.681 1.00 0.00 H new ATOM 0 HG2 GLN A 47 16.368 -19.325 -0.803 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.738 -17.695 -0.944 1.00 0.00 H new ATOM 0 HE21 GLN A 47 18.142 -18.400 -2.290 1.00 0.00 H new ATOM 0 HE22 GLN A 47 19.492 -17.566 -1.514 1.00 0.00 H new ATOM 738 N THR A 48 12.735 -18.982 2.812 1.00 0.00 N ATOM 739 CA THR A 48 12.220 -19.076 4.207 1.00 0.00 C ATOM 740 C THR A 48 11.244 -20.250 4.311 1.00 0.00 C ATOM 741 O THR A 48 10.857 -20.836 3.320 1.00 0.00 O ATOM 742 CB THR A 48 11.497 -17.780 4.575 1.00 0.00 C ATOM 743 OG1 THR A 48 10.209 -17.773 3.978 1.00 0.00 O ATOM 744 CG2 THR A 48 12.303 -16.583 4.068 1.00 0.00 C ATOM 0 H THR A 48 12.021 -18.884 2.090 1.00 0.00 H new ATOM 0 HA THR A 48 13.054 -19.232 4.891 1.00 0.00 H new ATOM 0 HB THR A 48 11.396 -17.714 5.658 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.524 -17.790 4.678 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.787 -15.659 4.331 1.00 0.00 H new ATOM 0 HG22 THR A 48 13.292 -16.589 4.527 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.405 -16.646 2.985 1.00 0.00 H new ATOM 752 N ASN A 49 10.845 -20.597 5.503 1.00 0.00 N ATOM 753 CA ASN A 49 9.896 -21.733 5.668 1.00 0.00 C ATOM 754 C ASN A 49 8.468 -21.196 5.788 1.00 0.00 C ATOM 755 O ASN A 49 7.779 -21.450 6.755 1.00 0.00 O ATOM 756 CB ASN A 49 10.254 -22.516 6.933 1.00 0.00 C ATOM 757 CG ASN A 49 11.683 -23.052 6.815 1.00 0.00 C ATOM 758 OD1 ASN A 49 12.151 -23.330 5.729 1.00 0.00 O ATOM 759 ND2 ASN A 49 12.399 -23.210 7.893 1.00 0.00 N ATOM 0 H ASN A 49 11.135 -20.143 6.369 1.00 0.00 H new ATOM 0 HA ASN A 49 9.964 -22.390 4.801 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.167 -21.873 7.809 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.555 -23.341 7.073 1.00 0.00 H new ATOM 0 HD21 ASN A 49 13.352 -23.567 7.824 1.00 0.00 H new ATOM 0 HD22 ASN A 49 12.006 -22.977 8.805 1.00 0.00 H new ATOM 766 N THR A 50 8.018 -20.456 4.811 1.00 0.00 N ATOM 767 CA THR A 50 6.633 -19.907 4.873 1.00 0.00 C ATOM 768 C THR A 50 5.635 -20.989 4.462 1.00 0.00 C ATOM 769 O THR A 50 5.742 -21.578 3.404 1.00 0.00 O ATOM 770 CB THR A 50 6.510 -18.716 3.919 1.00 0.00 C ATOM 771 OG1 THR A 50 7.518 -17.762 4.222 1.00 0.00 O ATOM 772 CG2 THR A 50 5.130 -18.072 4.080 1.00 0.00 C ATOM 0 H THR A 50 8.548 -20.208 3.975 1.00 0.00 H new ATOM 0 HA THR A 50 6.420 -19.582 5.891 1.00 0.00 H new ATOM 0 HB THR A 50 6.631 -19.059 2.891 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.427 -17.474 5.154 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.043 -17.224 3.401 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.357 -18.805 3.847 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.006 -17.728 5.107 1.00 0.00 H new ATOM 780 N HIS A 51 4.659 -21.251 5.287 1.00 0.00 N ATOM 781 CA HIS A 51 3.648 -22.287 4.941 1.00 0.00 C ATOM 782 C HIS A 51 2.294 -21.613 4.727 1.00 0.00 C ATOM 783 O HIS A 51 2.188 -20.402 4.731 1.00 0.00 O ATOM 784 CB HIS A 51 3.534 -23.298 6.083 1.00 0.00 C ATOM 785 CG HIS A 51 4.909 -23.715 6.529 1.00 0.00 C ATOM 786 ND1 HIS A 51 5.615 -23.019 7.497 1.00 0.00 N ATOM 787 CD2 HIS A 51 5.718 -24.756 6.150 1.00 0.00 C ATOM 788 CE1 HIS A 51 6.794 -23.646 7.668 1.00 0.00 C ATOM 789 NE2 HIS A 51 6.908 -24.711 6.871 1.00 0.00 N ATOM 0 H HIS A 51 4.519 -20.791 6.187 1.00 0.00 H new ATOM 0 HA HIS A 51 3.953 -22.804 4.031 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.988 -22.858 6.918 1.00 0.00 H new ATOM 0 HB3 HIS A 51 2.967 -24.170 5.755 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.469 -25.498 5.405 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.555 -23.326 8.365 1.00 0.00 H new ATOM 0 HE2 HIS A 51 7.697 -25.354 6.805 1.00 0.00 H new ATOM 797 N ILE A 52 1.257 -22.380 4.546 1.00 0.00 N ATOM 798 CA ILE A 52 -0.084 -21.772 4.338 1.00 0.00 C ATOM 799 C ILE A 52 -0.743 -21.521 5.695 1.00 0.00 C ATOM 800 O ILE A 52 -0.890 -22.418 6.501 1.00 0.00 O ATOM 801 CB ILE A 52 -0.962 -22.713 3.515 1.00 0.00 C ATOM 802 CG1 ILE A 52 -0.354 -22.891 2.121 1.00 0.00 C ATOM 803 CG2 ILE A 52 -2.362 -22.107 3.391 1.00 0.00 C ATOM 804 CD1 ILE A 52 -1.305 -23.707 1.245 1.00 0.00 C ATOM 0 H ILE A 52 1.280 -23.400 4.533 1.00 0.00 H new ATOM 0 HA ILE A 52 0.030 -20.829 3.803 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.024 -23.684 4.006 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.171 -21.917 1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.610 -23.395 2.196 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.996 -22.772 2.805 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.792 -21.978 4.384 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.297 -21.138 2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.870 -23.832 0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.466 -24.686 1.697 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.258 -23.186 1.159 1.00 0.00 H new ATOM 816 N ARG A 53 -1.142 -20.307 5.952 1.00 0.00 N ATOM 817 CA ARG A 53 -1.793 -19.994 7.255 1.00 0.00 C ATOM 818 C ARG A 53 -3.259 -20.414 7.202 1.00 0.00 C ATOM 819 O ARG A 53 -3.807 -20.934 8.154 1.00 0.00 O ATOM 820 CB ARG A 53 -1.715 -18.490 7.514 1.00 0.00 C ATOM 821 CG ARG A 53 -2.430 -18.169 8.826 1.00 0.00 C ATOM 822 CD ARG A 53 -2.260 -16.684 9.155 1.00 0.00 C ATOM 823 NE ARG A 53 -2.898 -16.394 10.470 1.00 0.00 N ATOM 824 CZ ARG A 53 -2.977 -15.165 10.901 1.00 0.00 C ATOM 825 NH1 ARG A 53 -3.217 -14.193 10.065 1.00 0.00 N ATOM 826 NH2 ARG A 53 -2.817 -14.908 12.171 1.00 0.00 N ATOM 0 H ARG A 53 -1.045 -19.516 5.315 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.283 -20.532 8.054 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.674 -18.171 7.566 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.176 -17.943 6.691 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.489 -18.415 8.744 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.023 -18.779 9.632 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.202 -16.426 9.187 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.714 -16.073 8.375 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.273 -17.157 11.034 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.343 -14.393 9.073 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.278 -13.233 10.403 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.630 -15.668 12.826 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.879 -13.947 12.509 1.00 0.00 H new ATOM 840 N SER A 54 -3.898 -20.184 6.092 1.00 0.00 N ATOM 841 CA SER A 54 -5.332 -20.558 5.963 1.00 0.00 C ATOM 842 C SER A 54 -5.698 -20.653 4.481 1.00 0.00 C ATOM 843 O SER A 54 -5.149 -19.955 3.651 1.00 0.00 O ATOM 844 CB SER A 54 -6.196 -19.491 6.641 1.00 0.00 C ATOM 845 OG SER A 54 -6.770 -18.644 5.656 1.00 0.00 O ATOM 0 H SER A 54 -3.488 -19.751 5.265 1.00 0.00 H new ATOM 0 HA SER A 54 -5.507 -21.522 6.441 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.982 -19.965 7.229 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.591 -18.904 7.332 1.00 0.00 H new ATOM 0 HG SER A 54 -7.324 -17.963 6.092 1.00 0.00 H new ATOM 851 N THR A 55 -6.615 -21.513 4.140 1.00 0.00 N ATOM 852 CA THR A 55 -7.007 -21.652 2.710 1.00 0.00 C ATOM 853 C THR A 55 -7.679 -20.363 2.231 1.00 0.00 C ATOM 854 O THR A 55 -8.392 -19.711 2.968 1.00 0.00 O ATOM 855 CB THR A 55 -7.983 -22.822 2.557 1.00 0.00 C ATOM 856 OG1 THR A 55 -9.244 -22.459 3.102 1.00 0.00 O ATOM 857 CG2 THR A 55 -7.438 -24.045 3.297 1.00 0.00 C ATOM 0 H THR A 55 -7.110 -22.125 4.788 1.00 0.00 H new ATOM 0 HA THR A 55 -6.116 -21.840 2.110 1.00 0.00 H new ATOM 0 HB THR A 55 -8.099 -23.062 1.500 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.870 -23.206 3.003 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.134 -24.877 3.187 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.471 -24.323 2.878 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.320 -23.808 4.354 1.00 0.00 H new ATOM 865 N GLY A 56 -7.456 -19.995 0.999 1.00 0.00 N ATOM 866 CA GLY A 56 -8.079 -18.752 0.463 1.00 0.00 C ATOM 867 C GLY A 56 -7.161 -17.562 0.732 1.00 0.00 C ATOM 868 O GLY A 56 -6.279 -17.615 1.565 1.00 0.00 O ATOM 0 H GLY A 56 -6.867 -20.503 0.339 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.255 -18.854 -0.608 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.050 -18.589 0.931 1.00 0.00 H new ATOM 872 N LYS A 57 -7.370 -16.487 0.031 1.00 0.00 N ATOM 873 CA LYS A 57 -6.519 -15.282 0.238 1.00 0.00 C ATOM 874 C LYS A 57 -6.550 -14.887 1.714 1.00 0.00 C ATOM 875 O LYS A 57 -7.493 -15.177 2.424 1.00 0.00 O ATOM 876 CB LYS A 57 -7.052 -14.125 -0.611 1.00 0.00 C ATOM 877 CG LYS A 57 -6.338 -12.831 -0.215 1.00 0.00 C ATOM 878 CD LYS A 57 -6.857 -11.674 -1.072 1.00 0.00 C ATOM 879 CE LYS A 57 -5.802 -10.568 -1.126 1.00 0.00 C ATOM 880 NZ LYS A 57 -6.348 -9.329 -0.506 1.00 0.00 N ATOM 0 H LYS A 57 -8.095 -16.388 -0.679 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.494 -15.506 -0.059 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.892 -14.332 -1.669 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.127 -14.019 -0.466 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.507 -12.619 0.841 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.262 -12.942 -0.349 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.083 -12.026 -2.079 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.786 -11.286 -0.654 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.901 -10.884 -0.600 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.516 -10.374 -2.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.630 -8.577 -0.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.195 -9.025 -1.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.600 -9.519 0.485 1.00 0.00 H new ATOM 894 N CYS A 58 -5.527 -14.228 2.182 1.00 0.00 N ATOM 895 CA CYS A 58 -5.499 -13.816 3.614 1.00 0.00 C ATOM 896 C CYS A 58 -6.655 -12.853 3.891 1.00 0.00 C ATOM 897 O CYS A 58 -6.980 -12.008 3.081 1.00 0.00 O ATOM 898 CB CYS A 58 -4.171 -13.121 3.916 1.00 0.00 C ATOM 899 SG CYS A 58 -2.814 -14.300 3.713 1.00 0.00 S ATOM 0 H CYS A 58 -4.709 -13.957 1.636 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.602 -14.696 4.249 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.032 -12.272 3.247 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -4.177 -12.728 4.933 1.00 0.00 H new ATOM 904 N GLU A 59 -7.280 -12.971 5.031 1.00 0.00 N ATOM 905 CA GLU A 59 -8.413 -12.062 5.358 1.00 0.00 C ATOM 906 C GLU A 59 -7.898 -10.881 6.185 1.00 0.00 C ATOM 907 O GLU A 59 -6.737 -10.540 6.034 1.00 0.00 O ATOM 908 CB GLU A 59 -9.465 -12.827 6.164 1.00 0.00 C ATOM 909 CG GLU A 59 -10.022 -13.974 5.317 1.00 0.00 C ATOM 910 CD GLU A 59 -11.127 -14.692 6.093 1.00 0.00 C ATOM 911 OE1 GLU A 59 -11.306 -14.378 7.258 1.00 0.00 O ATOM 912 OE2 GLU A 59 -11.776 -15.544 5.509 1.00 0.00 O ATOM 913 OXT GLU A 59 -8.675 -10.338 6.953 1.00 0.00 O ATOM 0 H GLU A 59 -7.054 -13.658 5.750 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.860 -11.693 4.435 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.023 -13.219 7.080 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.271 -12.155 6.461 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.415 -13.588 4.377 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.226 -14.674 5.066 1.00 0.00 H new TER 920 GLU A 59