USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 379 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: B 1 PHE N :NH3+ -168:sc= 0.87 (180deg=0) USER MOD Set 1.2: B 3 ASN : amide:sc= 0.366 K(o=1.2,f=-1.9) USER MOD Set 2.1: A 18 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Set 2.2: A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.0268 (180deg=0) USER MOD Single : A 5 GLN : amide:sc=-0.00522 X(o=-0.0052,f=-0.15) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 GLN : amide:sc= -0.0035 X(o=-0.0035,f=-0.16) USER MOD Single : B 5 HIS : no HD1:sc= -0.0775 X(o=-0.077,f=-0.56) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.257 K(o=-0.26,f=-0.84) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 150:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= -0.0164 USER MOD Single : B 29 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0519) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.326 25.584 -12.343 1.00 0.00 N ATOM 2 CA GLY A 1 -23.049 25.479 -11.053 1.00 0.00 C ATOM 3 C GLY A 1 -24.382 24.772 -11.222 1.00 0.00 C ATOM 4 O GLY A 1 -25.019 24.829 -12.271 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.525 24.920 -12.347 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.973 25.351 -13.123 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.972 26.554 -12.464 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.436 24.936 -10.334 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.213 26.476 -10.644 1.00 0.00 H new ATOM 10 N ILE A 2 -24.816 24.072 -10.175 1.00 0.00 N ATOM 11 CA ILE A 2 -25.818 22.986 -10.168 1.00 0.00 C ATOM 12 C ILE A 2 -27.276 23.417 -10.036 1.00 0.00 C ATOM 13 O ILE A 2 -28.103 22.823 -9.357 1.00 0.00 O ATOM 14 CB ILE A 2 -25.323 22.034 -9.098 1.00 0.00 C ATOM 15 CG1 ILE A 2 -25.989 20.655 -9.148 1.00 0.00 C ATOM 16 CG2 ILE A 2 -25.373 22.654 -7.689 1.00 0.00 C ATOM 17 CD1 ILE A 2 -24.896 19.673 -8.748 1.00 0.00 C ATOM 0 H ILE A 2 -24.456 24.255 -9.238 1.00 0.00 H new ATOM 0 HA ILE A 2 -25.879 22.504 -11.144 1.00 0.00 H new ATOM 0 HB ILE A 2 -24.272 21.861 -9.331 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -26.837 20.601 -8.465 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -26.369 20.437 -10.146 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -25.008 21.931 -6.960 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -24.746 23.545 -7.661 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -26.401 22.926 -7.447 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -25.296 18.659 -8.760 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -24.067 19.744 -9.452 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -24.542 19.912 -7.745 1.00 0.00 H new ATOM 29 N VAL A 3 -27.545 24.483 -10.769 1.00 0.00 N ATOM 30 CA VAL A 3 -28.875 25.099 -10.931 1.00 0.00 C ATOM 31 C VAL A 3 -29.684 24.376 -12.003 1.00 0.00 C ATOM 32 O VAL A 3 -30.893 24.161 -11.922 1.00 0.00 O ATOM 33 CB VAL A 3 -28.680 26.572 -11.284 1.00 0.00 C ATOM 34 CG1 VAL A 3 -29.988 27.281 -11.660 1.00 0.00 C ATOM 35 CG2 VAL A 3 -28.046 27.317 -10.109 1.00 0.00 C ATOM 0 H VAL A 3 -26.821 24.973 -11.295 1.00 0.00 H new ATOM 0 HA VAL A 3 -29.438 25.017 -10.001 1.00 0.00 H new ATOM 0 HB VAL A 3 -28.027 26.590 -12.156 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -29.781 28.324 -11.900 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -30.432 26.791 -12.527 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -30.682 27.233 -10.821 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -27.912 28.366 -10.373 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -28.696 27.242 -9.237 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -27.077 26.875 -9.878 1.00 0.00 H new ATOM 45 N GLU A 4 -28.930 24.025 -13.023 1.00 0.00 N ATOM 46 CA GLU A 4 -29.310 23.676 -14.394 1.00 0.00 C ATOM 47 C GLU A 4 -28.894 22.279 -14.825 1.00 0.00 C ATOM 48 O GLU A 4 -29.555 21.615 -15.615 1.00 0.00 O ATOM 49 CB GLU A 4 -28.649 24.765 -15.261 1.00 0.00 C ATOM 50 CG GLU A 4 -27.106 24.850 -15.137 1.00 0.00 C ATOM 51 CD GLU A 4 -26.484 26.014 -15.923 1.00 0.00 C ATOM 52 OE1 GLU A 4 -27.094 26.916 -16.507 1.00 0.00 O ATOM 53 OE2 GLU A 4 -25.123 26.026 -15.899 1.00 0.00 O ATOM 0 H GLU A 4 -27.918 23.968 -12.908 1.00 0.00 H new ATOM 0 HA GLU A 4 -30.395 23.647 -14.495 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -28.906 24.584 -16.305 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -29.075 25.732 -14.991 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -26.840 24.951 -14.085 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -26.671 23.914 -15.487 1.00 0.00 H new ATOM 61 N GLN A 5 -27.799 21.852 -14.230 1.00 0.00 N ATOM 62 CA GLN A 5 -27.103 20.595 -14.433 1.00 0.00 C ATOM 63 C GLN A 5 -28.053 19.400 -14.217 1.00 0.00 C ATOM 64 O GLN A 5 -28.141 18.516 -15.056 1.00 0.00 O ATOM 65 CB GLN A 5 -25.967 20.590 -13.393 1.00 0.00 C ATOM 66 CG GLN A 5 -24.931 21.713 -13.586 1.00 0.00 C ATOM 67 CD GLN A 5 -24.176 21.651 -14.922 1.00 0.00 C ATOM 68 OE1 GLN A 5 -23.938 20.595 -15.480 1.00 0.00 O ATOM 69 NE2 GLN A 5 -23.822 22.783 -15.495 1.00 0.00 N ATOM 0 H GLN A 5 -27.331 22.426 -13.529 1.00 0.00 H new ATOM 0 HA GLN A 5 -26.722 20.501 -15.450 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -26.401 20.678 -12.397 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -25.456 19.628 -13.434 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -25.437 22.675 -13.512 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -24.209 21.669 -12.771 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -24.018 23.671 -15.034 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -23.352 22.771 -16.400 1.00 0.00 H new ATOM 78 N CYS A 6 -28.851 19.477 -13.135 1.00 0.00 N ATOM 79 CA CYS A 6 -29.960 18.589 -12.781 1.00 0.00 C ATOM 80 C CYS A 6 -31.290 18.934 -13.454 1.00 0.00 C ATOM 81 O CYS A 6 -32.136 18.049 -13.577 1.00 0.00 O ATOM 82 CB CYS A 6 -30.119 18.739 -11.282 1.00 0.00 C ATOM 83 SG CYS A 6 -28.742 18.216 -10.220 1.00 0.00 S ATOM 0 H CYS A 6 -28.724 20.214 -12.442 1.00 0.00 H new ATOM 0 HA CYS A 6 -29.725 17.579 -13.115 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -30.322 19.789 -11.072 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -31.003 18.177 -10.982 1.00 0.00 H new ATOM 88 N CYS A 7 -31.534 20.209 -13.769 1.00 0.00 N ATOM 89 CA CYS A 7 -32.755 20.711 -14.408 1.00 0.00 C ATOM 90 C CYS A 7 -33.005 20.095 -15.812 1.00 0.00 C ATOM 91 O CYS A 7 -34.154 19.970 -16.259 1.00 0.00 O ATOM 92 CB CYS A 7 -32.585 22.220 -14.516 1.00 0.00 C ATOM 93 SG CYS A 7 -34.017 23.246 -14.958 1.00 0.00 S ATOM 0 H CYS A 7 -30.860 20.950 -13.578 1.00 0.00 H new ATOM 0 HA CYS A 7 -33.623 20.431 -13.811 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -32.210 22.577 -13.557 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -31.806 22.410 -15.254 1.00 0.00 H new ATOM 98 N ALA A 8 -31.925 19.652 -16.459 1.00 0.00 N ATOM 99 CA ALA A 8 -31.902 18.673 -17.543 1.00 0.00 C ATOM 100 C ALA A 8 -32.273 17.249 -17.060 1.00 0.00 C ATOM 101 O ALA A 8 -33.223 17.064 -16.300 1.00 0.00 O ATOM 102 CB ALA A 8 -30.484 18.807 -18.135 1.00 0.00 C ATOM 0 H ALA A 8 -30.990 19.987 -16.225 1.00 0.00 H new ATOM 0 HA ALA A 8 -32.658 18.858 -18.306 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -30.367 18.107 -18.962 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -30.335 19.824 -18.497 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -29.746 18.585 -17.365 1.00 0.00 H new ATOM 108 N SER A 9 -31.557 16.238 -17.521 1.00 0.00 N ATOM 109 CA SER A 9 -31.597 14.881 -16.998 1.00 0.00 C ATOM 110 C SER A 9 -31.002 14.760 -15.591 1.00 0.00 C ATOM 111 O SER A 9 -30.463 15.690 -14.998 1.00 0.00 O ATOM 112 CB SER A 9 -30.817 13.995 -17.952 1.00 0.00 C ATOM 113 OG SER A 9 -31.217 14.158 -19.307 1.00 0.00 O ATOM 0 H SER A 9 -30.907 16.343 -18.300 1.00 0.00 H new ATOM 0 HA SER A 9 -32.641 14.578 -16.920 1.00 0.00 H new ATOM 0 HB2 SER A 9 -29.754 14.219 -17.862 1.00 0.00 H new ATOM 0 HB3 SER A 9 -30.948 12.953 -17.662 1.00 0.00 H new ATOM 0 HG SER A 9 -30.684 13.567 -19.879 1.00 0.00 H new ATOM 119 N VAL A 10 -31.142 13.553 -15.055 1.00 0.00 N ATOM 120 CA VAL A 10 -30.894 13.102 -13.693 1.00 0.00 C ATOM 121 C VAL A 10 -29.433 13.241 -13.244 1.00 0.00 C ATOM 122 O VAL A 10 -28.508 13.117 -14.058 1.00 0.00 O ATOM 123 CB VAL A 10 -31.410 11.661 -13.577 1.00 0.00 C ATOM 124 CG1 VAL A 10 -30.595 10.609 -14.342 1.00 0.00 C ATOM 125 CG2 VAL A 10 -31.591 11.227 -12.134 1.00 0.00 C ATOM 0 H VAL A 10 -31.470 12.779 -15.633 1.00 0.00 H new ATOM 0 HA VAL A 10 -31.433 13.754 -13.006 1.00 0.00 H new ATOM 0 HB VAL A 10 -32.383 11.703 -14.067 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -31.042 9.626 -14.195 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -30.593 10.852 -15.405 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -29.570 10.601 -13.970 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -31.957 10.201 -12.106 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -30.635 11.285 -11.614 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -32.311 11.883 -11.644 1.00 0.00 H new ATOM 135 N CYS A 11 -29.224 13.560 -11.963 1.00 0.00 N ATOM 136 CA CYS A 11 -27.925 13.960 -11.423 1.00 0.00 C ATOM 137 C CYS A 11 -27.579 13.257 -10.099 1.00 0.00 C ATOM 138 O CYS A 11 -28.423 12.950 -9.247 1.00 0.00 O ATOM 139 CB CYS A 11 -27.871 15.488 -11.269 1.00 0.00 C ATOM 140 SG CYS A 11 -28.990 16.204 -10.027 1.00 0.00 S ATOM 0 H CYS A 11 -29.966 13.547 -11.263 1.00 0.00 H new ATOM 0 HA CYS A 11 -27.166 13.641 -12.138 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -26.850 15.772 -11.015 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -28.097 15.939 -12.235 1.00 0.00 H new ATOM 145 N SER A 12 -26.274 13.014 -9.917 1.00 0.00 N ATOM 146 CA SER A 12 -25.660 12.364 -8.789 1.00 0.00 C ATOM 147 C SER A 12 -25.318 13.348 -7.675 1.00 0.00 C ATOM 148 O SER A 12 -25.510 14.551 -7.750 1.00 0.00 O ATOM 149 CB SER A 12 -24.399 11.662 -9.282 1.00 0.00 C ATOM 150 OG SER A 12 -24.523 11.053 -10.565 1.00 0.00 O ATOM 0 H SER A 12 -25.584 13.293 -10.614 1.00 0.00 H new ATOM 0 HA SER A 12 -26.363 11.647 -8.365 1.00 0.00 H new ATOM 0 HB2 SER A 12 -23.585 12.386 -9.315 1.00 0.00 H new ATOM 0 HB3 SER A 12 -24.117 10.898 -8.557 1.00 0.00 H new ATOM 0 HG SER A 12 -23.674 10.628 -10.809 1.00 0.00 H new ATOM 156 N LEU A 13 -24.765 12.769 -6.632 1.00 0.00 N ATOM 157 CA LEU A 13 -24.516 13.348 -5.319 1.00 0.00 C ATOM 158 C LEU A 13 -23.162 14.041 -5.327 1.00 0.00 C ATOM 159 O LEU A 13 -22.999 15.122 -4.786 1.00 0.00 O ATOM 160 CB LEU A 13 -24.476 12.141 -4.371 1.00 0.00 C ATOM 161 CG LEU A 13 -25.740 11.236 -4.290 1.00 0.00 C ATOM 162 CD1 LEU A 13 -27.020 11.757 -4.954 1.00 0.00 C ATOM 163 CD2 LEU A 13 -25.452 9.869 -4.899 1.00 0.00 C ATOM 0 H LEU A 13 -24.450 11.800 -6.679 1.00 0.00 H new ATOM 0 HA LEU A 13 -25.267 14.082 -5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -23.634 11.514 -4.664 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -24.265 12.511 -3.368 1.00 0.00 H new ATOM 0 HG LEU A 13 -25.941 11.207 -3.219 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -27.820 11.029 -4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -27.310 12.702 -4.494 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -26.841 11.911 -6.018 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -26.345 9.247 -4.835 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -25.167 9.989 -5.944 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -24.638 9.392 -4.354 1.00 0.00 H new ATOM 175 N TYR A 14 -22.221 13.509 -6.084 1.00 0.00 N ATOM 176 CA TYR A 14 -20.944 14.105 -6.380 1.00 0.00 C ATOM 177 C TYR A 14 -20.926 15.396 -7.178 1.00 0.00 C ATOM 178 O TYR A 14 -20.029 16.231 -7.049 1.00 0.00 O ATOM 179 CB TYR A 14 -20.301 13.023 -7.217 1.00 0.00 C ATOM 180 CG TYR A 14 -20.270 11.710 -6.553 1.00 0.00 C ATOM 181 CD1 TYR A 14 -19.628 11.645 -5.328 1.00 0.00 C ATOM 182 CD2 TYR A 14 -21.131 10.712 -6.989 1.00 0.00 C ATOM 183 CE1 TYR A 14 -19.842 10.529 -4.493 1.00 0.00 C ATOM 184 CE2 TYR A 14 -21.422 9.653 -6.130 1.00 0.00 C ATOM 185 CZ TYR A 14 -20.752 9.533 -4.886 1.00 0.00 C ATOM 186 OH TYR A 14 -21.060 8.503 -4.040 1.00 0.00 O ATOM 0 H TYR A 14 -22.340 12.600 -6.530 1.00 0.00 H new ATOM 0 HA TYR A 14 -20.464 14.403 -5.448 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -20.842 12.933 -8.159 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -19.282 13.322 -7.463 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -18.969 12.442 -5.015 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -21.568 10.755 -7.976 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -19.310 10.440 -3.557 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -22.162 8.920 -6.414 1.00 0.00 H new ATOM 0 HH TYR A 14 -21.706 7.907 -4.472 1.00 0.00 H new ATOM 196 N GLN A 15 -21.976 15.561 -7.945 1.00 0.00 N ATOM 197 CA GLN A 15 -22.348 16.809 -8.562 1.00 0.00 C ATOM 198 C GLN A 15 -22.743 17.783 -7.475 1.00 0.00 C ATOM 199 O GLN A 15 -22.238 18.885 -7.401 1.00 0.00 O ATOM 200 CB GLN A 15 -23.519 16.536 -9.516 1.00 0.00 C ATOM 201 CG GLN A 15 -23.286 15.401 -10.522 1.00 0.00 C ATOM 202 CD GLN A 15 -22.069 15.582 -11.408 1.00 0.00 C ATOM 203 OE1 GLN A 15 -20.989 15.055 -11.156 1.00 0.00 O ATOM 204 NE2 GLN A 15 -22.175 16.330 -12.493 1.00 0.00 N ATOM 0 H GLN A 15 -22.619 14.800 -8.164 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.522 17.240 -9.128 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -24.403 16.300 -8.924 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -23.739 17.450 -10.067 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -23.185 14.464 -9.975 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -24.169 15.307 -11.155 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -23.064 16.776 -12.720 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -21.368 16.461 -13.103 1.00 0.00 H new ATOM 213 N LEU A 16 -23.583 17.357 -6.562 1.00 0.00 N ATOM 214 CA LEU A 16 -24.175 18.145 -5.463 1.00 0.00 C ATOM 215 C LEU A 16 -23.213 18.542 -4.321 1.00 0.00 C ATOM 216 O LEU A 16 -23.284 19.649 -3.782 1.00 0.00 O ATOM 217 CB LEU A 16 -25.384 17.277 -5.038 1.00 0.00 C ATOM 218 CG LEU A 16 -26.477 17.254 -6.109 1.00 0.00 C ATOM 219 CD1 LEU A 16 -27.475 16.150 -5.836 1.00 0.00 C ATOM 220 CD2 LEU A 16 -27.229 18.562 -6.194 1.00 0.00 C ATOM 0 H LEU A 16 -23.904 16.389 -6.550 1.00 0.00 H new ATOM 0 HA LEU A 16 -24.465 19.145 -5.785 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -25.048 16.259 -4.841 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -25.797 17.662 -4.106 1.00 0.00 H new ATOM 0 HG LEU A 16 -25.967 17.080 -7.057 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -28.242 16.153 -6.610 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -26.963 15.188 -5.837 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -27.940 16.312 -4.864 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -27.993 18.493 -6.969 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -27.703 18.772 -5.235 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -26.535 19.366 -6.440 1.00 0.00 H new ATOM 232 N GLU A 17 -22.276 17.651 -4.012 1.00 0.00 N ATOM 233 CA GLU A 17 -21.156 17.783 -3.076 1.00 0.00 C ATOM 234 C GLU A 17 -20.138 18.861 -3.464 1.00 0.00 C ATOM 235 O GLU A 17 -19.472 19.452 -2.620 1.00 0.00 O ATOM 236 CB GLU A 17 -20.368 16.478 -3.184 1.00 0.00 C ATOM 237 CG GLU A 17 -21.118 15.355 -2.493 1.00 0.00 C ATOM 238 CD GLU A 17 -20.853 15.208 -0.988 1.00 0.00 C ATOM 239 OE1 GLU A 17 -19.996 15.833 -0.365 1.00 0.00 O ATOM 240 OE2 GLU A 17 -21.638 14.279 -0.399 1.00 0.00 O ATOM 0 H GLU A 17 -22.279 16.730 -4.450 1.00 0.00 H new ATOM 0 HA GLU A 17 -21.577 18.027 -2.101 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -20.208 16.227 -4.233 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -19.384 16.600 -2.732 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -22.187 15.510 -2.642 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -20.861 14.416 -2.982 1.00 0.00 H new ATOM 248 N ASN A 18 -20.012 19.034 -4.759 1.00 0.00 N ATOM 249 CA ASN A 18 -19.042 19.893 -5.406 1.00 0.00 C ATOM 250 C ASN A 18 -19.004 21.316 -4.832 1.00 0.00 C ATOM 251 O ASN A 18 -17.956 21.874 -4.482 1.00 0.00 O ATOM 252 CB ASN A 18 -19.487 19.911 -6.853 1.00 0.00 C ATOM 253 CG ASN A 18 -18.541 20.520 -7.820 1.00 0.00 C ATOM 254 OD1 ASN A 18 -17.413 20.899 -7.567 1.00 0.00 O ATOM 255 ND2 ASN A 18 -19.028 20.535 -9.012 1.00 0.00 N ATOM 0 H ASN A 18 -20.615 18.554 -5.427 1.00 0.00 H new ATOM 0 HA ASN A 18 -18.028 19.520 -5.260 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -19.683 18.885 -7.164 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -20.433 20.448 -6.914 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -18.462 20.874 -9.790 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -19.980 20.207 -9.178 1.00 0.00 H new ATOM 262 N TYR A 19 -20.212 21.856 -4.757 1.00 0.00 N ATOM 263 CA TYR A 19 -20.583 23.200 -4.346 1.00 0.00 C ATOM 264 C TYR A 19 -20.505 23.501 -2.849 1.00 0.00 C ATOM 265 O TYR A 19 -20.040 24.556 -2.403 1.00 0.00 O ATOM 266 CB TYR A 19 -22.038 23.268 -4.804 1.00 0.00 C ATOM 267 CG TYR A 19 -22.046 23.259 -6.293 1.00 0.00 C ATOM 268 CD1 TYR A 19 -21.382 24.281 -6.951 1.00 0.00 C ATOM 269 CD2 TYR A 19 -22.401 22.076 -6.926 1.00 0.00 C ATOM 270 CE1 TYR A 19 -20.997 24.093 -8.277 1.00 0.00 C ATOM 271 CE2 TYR A 19 -22.072 21.905 -8.255 1.00 0.00 C ATOM 272 CZ TYR A 19 -21.372 22.900 -8.948 1.00 0.00 C ATOM 273 OH TYR A 19 -21.028 22.685 -10.252 1.00 0.00 O ATOM 0 H TYR A 19 -21.036 21.309 -5.007 1.00 0.00 H new ATOM 0 HA TYR A 19 -19.893 23.930 -4.769 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -22.602 22.421 -4.414 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -22.516 24.171 -4.425 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -21.166 25.210 -6.444 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -22.926 21.302 -6.387 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -20.419 24.848 -8.789 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -22.357 20.996 -8.765 1.00 0.00 H new ATOM 0 HH TYR A 19 -21.370 21.814 -10.541 1.00 0.00 H new ATOM 283 N CYS A 20 -20.998 22.516 -2.113 1.00 0.00 N ATOM 284 CA CYS A 20 -21.077 22.415 -0.665 1.00 0.00 C ATOM 285 C CYS A 20 -19.753 22.837 0.049 1.00 0.00 C ATOM 286 O CYS A 20 -18.643 22.600 -0.452 1.00 0.00 O ATOM 287 CB CYS A 20 -21.404 20.956 -0.352 1.00 0.00 C ATOM 288 SG CYS A 20 -21.603 20.546 1.417 1.00 0.00 S ATOM 0 H CYS A 20 -21.391 21.687 -2.560 1.00 0.00 H new ATOM 0 HA CYS A 20 -21.841 23.098 -0.294 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -22.324 20.690 -0.873 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -20.612 20.330 -0.764 1.00 0.00 H new ATOM 293 N ASN A 21 -19.887 23.483 1.216 1.00 0.00 N ATOM 294 CA ASN A 21 -18.857 24.095 2.037 1.00 0.00 C ATOM 295 C ASN A 21 -17.778 23.122 2.563 1.00 0.00 C ATOM 296 O ASN A 21 -18.131 22.061 3.126 1.00 0.00 O ATOM 297 CB ASN A 21 -19.648 24.750 3.195 1.00 0.00 C ATOM 298 CG ASN A 21 -18.781 25.523 4.172 1.00 0.00 C ATOM 299 OD1 ASN A 21 -18.707 25.211 5.361 1.00 0.00 O ATOM 300 ND2 ASN A 21 -18.092 26.554 3.735 1.00 0.00 N ATOM 301 OXT ASN A 21 -16.578 23.429 2.399 1.00 0.00 O ATOM 0 H ASN A 21 -20.808 23.595 1.640 1.00 0.00 H new ATOM 0 HA ASN A 21 -18.270 24.801 1.449 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -20.395 25.424 2.776 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -20.187 23.974 3.738 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -17.505 27.085 4.378 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -18.144 26.823 2.752 1.00 0.00 H new TER 308 ASN A 21 ATOM 309 N PHE B 1 -30.565 6.477 -5.534 1.00 0.00 N ATOM 310 CA PHE B 1 -30.268 7.036 -4.206 1.00 0.00 C ATOM 311 C PHE B 1 -31.226 8.181 -3.906 1.00 0.00 C ATOM 312 O PHE B 1 -32.393 7.959 -3.544 1.00 0.00 O ATOM 313 CB PHE B 1 -28.771 7.411 -4.107 1.00 0.00 C ATOM 314 CG PHE B 1 -28.387 7.718 -2.704 1.00 0.00 C ATOM 315 CD1 PHE B 1 -27.931 8.988 -2.317 1.00 0.00 C ATOM 316 CD2 PHE B 1 -28.567 6.717 -1.739 1.00 0.00 C ATOM 317 CE1 PHE B 1 -27.655 9.243 -0.963 1.00 0.00 C ATOM 318 CE2 PHE B 1 -28.338 6.982 -0.402 1.00 0.00 C ATOM 319 CZ PHE B 1 -27.854 8.230 0.007 1.00 0.00 C ATOM 0 H1 PHE B 1 -30.056 5.578 -5.654 1.00 0.00 H new ATOM 0 H2 PHE B 1 -31.588 6.310 -5.619 1.00 0.00 H new ATOM 0 H3 PHE B 1 -30.261 7.147 -6.269 1.00 0.00 H new ATOM 0 HA PHE B 1 -30.434 6.291 -3.428 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -28.162 6.589 -4.482 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -28.567 8.274 -4.740 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -27.793 9.764 -3.055 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -28.887 5.731 -2.043 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -27.290 10.214 -0.661 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -28.535 6.218 0.335 1.00 0.00 H new ATOM 0 HZ PHE B 1 -27.635 8.418 1.048 1.00 0.00 H new ATOM 331 N VAL B 2 -30.753 9.431 -4.056 1.00 0.00 N ATOM 332 CA VAL B 2 -31.474 10.699 -3.815 1.00 0.00 C ATOM 333 C VAL B 2 -31.966 11.333 -5.117 1.00 0.00 C ATOM 334 O VAL B 2 -33.046 11.922 -5.165 1.00 0.00 O ATOM 335 CB VAL B 2 -30.481 11.636 -3.102 1.00 0.00 C ATOM 336 CG1 VAL B 2 -30.793 13.142 -3.179 1.00 0.00 C ATOM 337 CG2 VAL B 2 -30.422 11.289 -1.607 1.00 0.00 C ATOM 0 H VAL B 2 -29.796 9.596 -4.369 1.00 0.00 H new ATOM 0 HA VAL B 2 -32.363 10.518 -3.211 1.00 0.00 H new ATOM 0 HB VAL B 2 -29.545 11.470 -3.635 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -30.026 13.700 -2.642 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -30.808 13.458 -4.222 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -31.766 13.336 -2.727 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -29.718 11.954 -1.107 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -31.412 11.410 -1.166 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -30.094 10.257 -1.486 1.00 0.00 H new ATOM 347 N ASN B 3 -31.195 11.111 -6.171 1.00 0.00 N ATOM 348 CA ASN B 3 -31.313 11.528 -7.565 1.00 0.00 C ATOM 349 C ASN B 3 -32.697 11.979 -8.070 1.00 0.00 C ATOM 350 O ASN B 3 -33.720 11.284 -7.978 1.00 0.00 O ATOM 351 CB ASN B 3 -30.810 10.392 -8.444 1.00 0.00 C ATOM 352 CG ASN B 3 -29.663 9.643 -7.858 1.00 0.00 C ATOM 353 OD1 ASN B 3 -29.701 8.483 -7.471 1.00 0.00 O ATOM 354 ND2 ASN B 3 -28.685 10.406 -7.492 1.00 0.00 N ATOM 0 H ASN B 3 -30.349 10.553 -6.051 1.00 0.00 H new ATOM 0 HA ASN B 3 -30.714 12.437 -7.626 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -31.629 9.697 -8.629 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -30.512 10.797 -9.411 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -27.952 10.040 -6.885 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -28.647 11.374 -7.811 1.00 0.00 H new ATOM 361 N GLN B 4 -32.670 13.149 -8.710 1.00 0.00 N ATOM 362 CA GLN B 4 -33.798 13.920 -9.200 1.00 0.00 C ATOM 363 C GLN B 4 -33.476 14.769 -10.430 1.00 0.00 C ATOM 364 O GLN B 4 -32.403 14.738 -11.040 1.00 0.00 O ATOM 365 CB GLN B 4 -34.344 14.762 -8.041 1.00 0.00 C ATOM 366 CG GLN B 4 -33.432 15.892 -7.526 1.00 0.00 C ATOM 367 CD GLN B 4 -32.529 15.403 -6.400 1.00 0.00 C ATOM 368 OE1 GLN B 4 -32.934 15.181 -5.276 1.00 0.00 O ATOM 369 NE2 GLN B 4 -31.256 15.144 -6.668 1.00 0.00 N ATOM 0 H GLN B 4 -31.784 13.613 -8.912 1.00 0.00 H new ATOM 0 HA GLN B 4 -34.562 13.226 -9.550 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -35.290 15.203 -8.355 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -34.564 14.094 -7.208 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -32.822 16.272 -8.345 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -34.043 16.722 -7.171 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -30.886 15.319 -7.602 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -30.648 14.769 -5.940 1.00 0.00 H new ATOM 378 N HIS B 5 -34.529 15.480 -10.788 1.00 0.00 N ATOM 379 CA HIS B 5 -34.981 15.952 -12.094 1.00 0.00 C ATOM 380 C HIS B 5 -35.112 17.466 -12.187 1.00 0.00 C ATOM 381 O HIS B 5 -35.092 18.051 -13.272 1.00 0.00 O ATOM 382 CB HIS B 5 -36.379 15.366 -12.226 1.00 0.00 C ATOM 383 CG HIS B 5 -36.396 13.888 -12.195 1.00 0.00 C ATOM 384 ND1 HIS B 5 -35.396 13.163 -12.823 1.00 0.00 N ATOM 385 CD2 HIS B 5 -36.936 13.155 -11.174 1.00 0.00 C ATOM 386 CE1 HIS B 5 -35.280 12.058 -12.109 1.00 0.00 C ATOM 387 NE2 HIS B 5 -36.223 11.968 -11.161 1.00 0.00 N ATOM 0 H HIS B 5 -35.183 15.785 -10.068 1.00 0.00 H new ATOM 0 HA HIS B 5 -34.266 15.658 -12.862 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -37.004 15.747 -11.418 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -36.823 15.709 -13.161 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -37.745 13.441 -10.518 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -34.514 11.314 -12.270 1.00 0.00 H new ATOM 0 HE2 HIS B 5 -36.385 11.172 -10.544 1.00 0.00 H new ATOM 395 N LEU B 6 -35.374 18.102 -11.042 1.00 0.00 N ATOM 396 CA LEU B 6 -35.762 19.499 -10.870 1.00 0.00 C ATOM 397 C LEU B 6 -34.573 20.483 -10.963 1.00 0.00 C ATOM 398 O LEU B 6 -33.414 20.137 -11.150 1.00 0.00 O ATOM 399 CB LEU B 6 -36.619 19.701 -9.616 1.00 0.00 C ATOM 400 CG LEU B 6 -37.994 20.432 -9.738 1.00 0.00 C ATOM 401 CD1 LEU B 6 -38.024 21.723 -8.912 1.00 0.00 C ATOM 402 CD2 LEU B 6 -38.481 20.798 -11.146 1.00 0.00 C ATOM 0 H LEU B 6 -35.315 17.616 -10.147 1.00 0.00 H new ATOM 0 HA LEU B 6 -36.394 19.750 -11.722 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -36.808 18.717 -9.187 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -36.018 20.253 -8.894 1.00 0.00 H new ATOM 0 HG LEU B 6 -38.673 19.666 -9.362 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -38.996 22.203 -9.022 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -37.853 21.487 -7.862 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -37.244 22.398 -9.264 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -39.447 21.299 -11.078 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -37.759 21.464 -11.619 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -38.584 19.892 -11.742 1.00 0.00 H new ATOM 414 N CYS B 7 -34.960 21.743 -10.828 1.00 0.00 N ATOM 415 CA CYS B 7 -34.213 22.967 -11.113 1.00 0.00 C ATOM 416 C CYS B 7 -33.983 23.861 -9.862 1.00 0.00 C ATOM 417 O CYS B 7 -34.713 23.776 -8.876 1.00 0.00 O ATOM 418 CB CYS B 7 -35.117 23.678 -12.122 1.00 0.00 C ATOM 419 SG CYS B 7 -35.476 22.749 -13.635 1.00 0.00 S ATOM 0 H CYS B 7 -35.895 21.958 -10.483 1.00 0.00 H new ATOM 0 HA CYS B 7 -33.206 22.753 -11.472 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -36.060 23.919 -11.632 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -34.651 24.623 -12.399 1.00 0.00 H new ATOM 424 N GLY B 8 -33.020 24.791 -9.919 1.00 0.00 N ATOM 425 CA GLY B 8 -32.912 25.862 -8.922 1.00 0.00 C ATOM 426 C GLY B 8 -32.505 25.390 -7.532 1.00 0.00 C ATOM 427 O GLY B 8 -31.677 24.498 -7.337 1.00 0.00 O ATOM 0 H GLY B 8 -32.305 24.822 -10.646 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -32.184 26.595 -9.271 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -33.871 26.374 -8.852 1.00 0.00 H new ATOM 431 N SER B 9 -33.171 26.010 -6.562 1.00 0.00 N ATOM 432 CA SER B 9 -33.021 25.863 -5.108 1.00 0.00 C ATOM 433 C SER B 9 -33.746 24.670 -4.540 1.00 0.00 C ATOM 434 O SER B 9 -34.057 24.573 -3.362 1.00 0.00 O ATOM 435 CB SER B 9 -33.498 27.149 -4.451 1.00 0.00 C ATOM 436 OG SER B 9 -32.689 28.284 -4.775 1.00 0.00 O ATOM 0 H SER B 9 -33.896 26.691 -6.789 1.00 0.00 H new ATOM 0 HA SER B 9 -31.967 25.682 -4.896 1.00 0.00 H new ATOM 0 HB2 SER B 9 -34.526 27.345 -4.756 1.00 0.00 H new ATOM 0 HB3 SER B 9 -33.507 27.015 -3.369 1.00 0.00 H new ATOM 0 HG SER B 9 -33.045 29.079 -4.326 1.00 0.00 H new ATOM 442 N HIS B 10 -33.966 23.722 -5.405 1.00 0.00 N ATOM 443 CA HIS B 10 -34.200 22.325 -5.123 1.00 0.00 C ATOM 444 C HIS B 10 -32.979 21.456 -5.104 1.00 0.00 C ATOM 445 O HIS B 10 -32.956 20.450 -4.422 1.00 0.00 O ATOM 446 CB HIS B 10 -35.082 21.867 -6.275 1.00 0.00 C ATOM 447 CG HIS B 10 -35.782 20.581 -5.918 1.00 0.00 C ATOM 448 ND1 HIS B 10 -35.646 19.323 -6.503 1.00 0.00 N ATOM 449 CD2 HIS B 10 -36.491 20.437 -4.772 1.00 0.00 C ATOM 450 CE1 HIS B 10 -36.286 18.447 -5.705 1.00 0.00 C ATOM 451 NE2 HIS B 10 -36.815 19.094 -4.657 1.00 0.00 N ATOM 0 H HIS B 10 -33.989 23.916 -6.406 1.00 0.00 H new ATOM 0 HA HIS B 10 -34.623 22.233 -4.122 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -35.818 22.637 -6.507 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -34.477 21.723 -7.170 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -36.754 21.222 -4.078 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -36.362 17.384 -5.883 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -37.361 18.672 -3.906 1.00 0.00 H new ATOM 459 N LEU B 11 -31.950 21.902 -5.800 1.00 0.00 N ATOM 460 CA LEU B 11 -30.586 21.378 -5.675 1.00 0.00 C ATOM 461 C LEU B 11 -29.743 21.930 -4.576 1.00 0.00 C ATOM 462 O LEU B 11 -28.640 21.474 -4.302 1.00 0.00 O ATOM 463 CB LEU B 11 -29.889 21.443 -7.046 1.00 0.00 C ATOM 464 CG LEU B 11 -30.555 20.750 -8.241 1.00 0.00 C ATOM 465 CD1 LEU B 11 -31.390 19.520 -7.893 1.00 0.00 C ATOM 466 CD2 LEU B 11 -31.456 21.727 -9.012 1.00 0.00 C ATOM 0 H LEU B 11 -32.032 22.654 -6.484 1.00 0.00 H new ATOM 0 HA LEU B 11 -30.704 20.343 -5.354 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -29.760 22.495 -7.303 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -28.892 21.019 -6.931 1.00 0.00 H new ATOM 0 HG LEU B 11 -29.715 20.411 -8.848 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -31.819 19.102 -8.804 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -30.756 18.774 -7.414 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -32.192 19.805 -7.212 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -31.916 21.210 -9.854 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -32.234 22.105 -8.349 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -30.858 22.560 -9.381 1.00 0.00 H new ATOM 478 N VAL B 12 -30.389 22.797 -3.828 1.00 0.00 N ATOM 479 CA VAL B 12 -30.123 23.121 -2.450 1.00 0.00 C ATOM 480 C VAL B 12 -30.761 22.087 -1.544 1.00 0.00 C ATOM 481 O VAL B 12 -30.132 21.589 -0.632 1.00 0.00 O ATOM 482 CB VAL B 12 -30.765 24.484 -2.251 1.00 0.00 C ATOM 483 CG1 VAL B 12 -31.015 24.871 -0.817 1.00 0.00 C ATOM 484 CG2 VAL B 12 -30.008 25.542 -3.050 1.00 0.00 C ATOM 0 H VAL B 12 -31.173 23.333 -4.199 1.00 0.00 H new ATOM 0 HA VAL B 12 -29.059 23.132 -2.214 1.00 0.00 H new ATOM 0 HB VAL B 12 -31.776 24.413 -2.651 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -31.475 25.859 -0.782 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -31.682 24.143 -0.355 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -30.069 24.891 -0.275 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -30.476 26.515 -2.900 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -28.973 25.582 -2.712 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -30.034 25.286 -4.109 1.00 0.00 H new ATOM 494 N GLU B 13 -32.007 21.716 -1.829 1.00 0.00 N ATOM 495 CA GLU B 13 -32.702 20.719 -1.027 1.00 0.00 C ATOM 496 C GLU B 13 -32.218 19.296 -1.287 1.00 0.00 C ATOM 497 O GLU B 13 -32.282 18.419 -0.427 1.00 0.00 O ATOM 498 CB GLU B 13 -34.197 20.888 -1.278 1.00 0.00 C ATOM 499 CG GLU B 13 -34.736 22.254 -0.813 1.00 0.00 C ATOM 500 CD GLU B 13 -36.253 22.340 -0.955 1.00 0.00 C ATOM 501 OE1 GLU B 13 -37.077 21.877 -0.169 1.00 0.00 O ATOM 502 OE2 GLU B 13 -36.683 22.948 -2.087 1.00 0.00 O ATOM 0 H GLU B 13 -32.552 22.090 -2.606 1.00 0.00 H new ATOM 0 HA GLU B 13 -32.481 20.883 0.028 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -34.397 20.769 -2.343 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -34.738 20.095 -0.761 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -34.458 22.420 0.228 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -34.270 23.047 -1.398 1.00 0.00 H new ATOM 510 N ALA B 14 -31.603 19.141 -2.447 1.00 0.00 N ATOM 511 CA ALA B 14 -30.818 17.957 -2.795 1.00 0.00 C ATOM 512 C ALA B 14 -29.459 18.018 -2.111 1.00 0.00 C ATOM 513 O ALA B 14 -28.995 17.017 -1.595 1.00 0.00 O ATOM 514 CB ALA B 14 -30.650 17.929 -4.304 1.00 0.00 C ATOM 0 H ALA B 14 -31.632 19.841 -3.188 1.00 0.00 H new ATOM 0 HA ALA B 14 -31.326 17.052 -2.461 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -30.067 17.053 -4.589 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -31.630 17.882 -4.778 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -30.132 18.831 -4.629 1.00 0.00 H new ATOM 520 N LEU B 15 -28.855 19.203 -2.038 1.00 0.00 N ATOM 521 CA LEU B 15 -27.599 19.417 -1.321 1.00 0.00 C ATOM 522 C LEU B 15 -27.788 19.064 0.181 1.00 0.00 C ATOM 523 O LEU B 15 -27.019 18.300 0.776 1.00 0.00 O ATOM 524 CB LEU B 15 -27.073 20.798 -1.739 1.00 0.00 C ATOM 525 CG LEU B 15 -26.119 21.562 -0.819 1.00 0.00 C ATOM 526 CD1 LEU B 15 -26.854 22.014 0.457 1.00 0.00 C ATOM 527 CD2 LEU B 15 -24.937 20.678 -0.475 1.00 0.00 C ATOM 0 H LEU B 15 -29.225 20.046 -2.477 1.00 0.00 H new ATOM 0 HA LEU B 15 -26.782 18.744 -1.582 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -26.571 20.677 -2.699 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -27.939 21.437 -1.911 1.00 0.00 H new ATOM 0 HG LEU B 15 -25.757 22.453 -1.332 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -26.163 22.556 1.102 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -27.685 22.665 0.187 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -27.235 21.141 0.986 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -24.256 21.220 0.181 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -25.290 19.780 0.031 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -24.414 20.397 -1.389 1.00 0.00 H new ATOM 539 N TYR B 16 -28.892 19.502 0.750 1.00 0.00 N ATOM 540 CA TYR B 16 -29.351 19.177 2.100 1.00 0.00 C ATOM 541 C TYR B 16 -29.583 17.700 2.424 1.00 0.00 C ATOM 542 O TYR B 16 -29.439 17.286 3.579 1.00 0.00 O ATOM 543 CB TYR B 16 -30.608 20.005 2.304 1.00 0.00 C ATOM 544 CG TYR B 16 -30.452 21.474 2.524 1.00 0.00 C ATOM 545 CD1 TYR B 16 -31.588 22.231 2.269 1.00 0.00 C ATOM 546 CD2 TYR B 16 -29.226 22.079 2.786 1.00 0.00 C ATOM 547 CE1 TYR B 16 -31.510 23.626 2.220 1.00 0.00 C ATOM 548 CE2 TYR B 16 -29.129 23.478 2.764 1.00 0.00 C ATOM 549 CZ TYR B 16 -30.278 24.254 2.462 1.00 0.00 C ATOM 550 OH TYR B 16 -30.184 25.608 2.377 1.00 0.00 O ATOM 0 H TYR B 16 -29.533 20.129 0.263 1.00 0.00 H new ATOM 0 HA TYR B 16 -28.548 19.416 2.797 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -31.246 19.864 1.432 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -31.143 19.594 3.160 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -32.536 21.740 2.108 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -28.357 21.476 3.004 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -32.388 24.214 1.998 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -28.187 23.961 2.975 1.00 0.00 H new ATOM 0 HH TYR B 16 -29.265 25.885 2.574 1.00 0.00 H new ATOM 560 N LEU B 17 -29.914 16.930 1.413 1.00 0.00 N ATOM 561 CA LEU B 17 -30.097 15.477 1.420 1.00 0.00 C ATOM 562 C LEU B 17 -28.786 14.684 1.218 1.00 0.00 C ATOM 563 O LEU B 17 -28.714 13.504 1.559 1.00 0.00 O ATOM 564 CB LEU B 17 -31.130 15.162 0.342 1.00 0.00 C ATOM 565 CG LEU B 17 -32.570 15.470 0.747 1.00 0.00 C ATOM 566 CD1 LEU B 17 -33.516 15.355 -0.457 1.00 0.00 C ATOM 567 CD2 LEU B 17 -33.083 14.521 1.838 1.00 0.00 C ATOM 0 H LEU B 17 -30.078 17.324 0.487 1.00 0.00 H new ATOM 0 HA LEU B 17 -30.443 15.159 2.403 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -30.887 15.731 -0.556 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -31.056 14.106 0.080 1.00 0.00 H new ATOM 0 HG LEU B 17 -32.561 16.490 1.132 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -34.535 15.579 -0.142 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -33.211 16.062 -1.228 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -33.474 14.342 -0.857 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -34.111 14.780 2.092 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -33.047 13.494 1.474 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -32.456 14.613 2.725 1.00 0.00 H new ATOM 579 N VAL B 18 -27.771 15.343 0.646 1.00 0.00 N ATOM 580 CA VAL B 18 -26.509 14.752 0.204 1.00 0.00 C ATOM 581 C VAL B 18 -25.430 14.981 1.221 1.00 0.00 C ATOM 582 O VAL B 18 -24.912 14.054 1.881 1.00 0.00 O ATOM 583 CB VAL B 18 -26.184 15.351 -1.185 1.00 0.00 C ATOM 584 CG1 VAL B 18 -24.718 15.258 -1.557 1.00 0.00 C ATOM 585 CG2 VAL B 18 -27.048 14.669 -2.231 1.00 0.00 C ATOM 0 H VAL B 18 -27.812 16.347 0.472 1.00 0.00 H new ATOM 0 HA VAL B 18 -26.585 13.669 0.109 1.00 0.00 H new ATOM 0 HB VAL B 18 -26.408 16.417 -1.142 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -24.564 15.697 -2.543 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -24.121 15.798 -0.822 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -24.413 14.212 -1.574 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -26.826 15.085 -3.214 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -26.839 13.599 -2.234 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -28.100 14.833 -1.997 1.00 0.00 H new ATOM 595 N CYS B 19 -25.101 16.264 1.316 1.00 0.00 N ATOM 596 CA CYS B 19 -23.991 16.804 2.072 1.00 0.00 C ATOM 597 C CYS B 19 -24.404 17.086 3.524 1.00 0.00 C ATOM 598 O CYS B 19 -23.669 16.788 4.469 1.00 0.00 O ATOM 599 CB CYS B 19 -23.577 18.099 1.366 1.00 0.00 C ATOM 600 SG CYS B 19 -21.810 18.521 1.559 1.00 0.00 S ATOM 0 H CYS B 19 -25.635 16.991 0.839 1.00 0.00 H new ATOM 0 HA CYS B 19 -23.164 16.095 2.113 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -23.804 18.010 0.304 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -24.180 18.920 1.753 1.00 0.00 H new ATOM 605 N GLY B 20 -25.588 17.652 3.664 1.00 0.00 N ATOM 606 CA GLY B 20 -26.175 18.069 4.927 1.00 0.00 C ATOM 607 C GLY B 20 -26.626 19.540 4.977 1.00 0.00 C ATOM 608 O GLY B 20 -26.709 20.198 3.942 1.00 0.00 O ATOM 0 H GLY B 20 -26.195 17.843 2.867 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -27.034 17.433 5.139 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -25.449 17.899 5.722 1.00 0.00 H new ATOM 612 N GLU B 21 -26.970 20.017 6.171 1.00 0.00 N ATOM 613 CA GLU B 21 -27.764 21.215 6.468 1.00 0.00 C ATOM 614 C GLU B 21 -26.987 22.540 6.420 1.00 0.00 C ATOM 615 O GLU B 21 -27.243 23.457 5.660 1.00 0.00 O ATOM 616 CB GLU B 21 -28.279 20.970 7.885 1.00 0.00 C ATOM 617 CG GLU B 21 -29.352 19.865 7.971 1.00 0.00 C ATOM 618 CD GLU B 21 -29.839 19.623 9.390 1.00 0.00 C ATOM 619 OE1 GLU B 21 -29.086 19.610 10.367 1.00 0.00 O ATOM 620 OE2 GLU B 21 -31.183 19.461 9.518 1.00 0.00 O ATOM 0 H GLU B 21 -26.680 19.541 7.025 1.00 0.00 H new ATOM 0 HA GLU B 21 -28.538 21.340 5.711 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -27.440 20.700 8.526 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -28.694 21.899 8.277 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -30.200 20.139 7.343 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -28.944 18.938 7.569 1.00 0.00 H new ATOM 628 N ARG B 22 -26.071 22.617 7.377 1.00 0.00 N ATOM 629 CA ARG B 22 -25.538 23.783 8.121 1.00 0.00 C ATOM 630 C ARG B 22 -24.794 24.879 7.330 1.00 0.00 C ATOM 631 O ARG B 22 -23.595 25.145 7.502 1.00 0.00 O ATOM 632 CB ARG B 22 -24.656 23.188 9.223 1.00 0.00 C ATOM 633 CG ARG B 22 -25.479 22.369 10.251 1.00 0.00 C ATOM 634 CD ARG B 22 -25.019 20.917 10.256 1.00 0.00 C ATOM 635 NE ARG B 22 -25.999 20.095 10.993 1.00 0.00 N ATOM 636 CZ ARG B 22 -25.837 18.839 11.362 1.00 0.00 C ATOM 637 NH1 ARG B 22 -24.747 18.190 11.143 1.00 0.00 N ATOM 638 NH2 ARG B 22 -26.821 18.182 11.908 1.00 0.00 N ATOM 0 H ARG B 22 -25.619 21.762 7.700 1.00 0.00 H new ATOM 0 HA ARG B 22 -26.394 24.353 8.483 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -23.898 22.547 8.773 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -24.129 23.991 9.738 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -25.362 22.798 11.246 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -26.539 22.421 10.003 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -24.918 20.553 9.234 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -24.037 20.837 10.722 1.00 0.00 H new ATOM 0 HE ARG B 22 -26.883 20.539 11.240 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -23.968 18.646 10.668 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -24.662 17.219 11.445 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -27.722 18.639 12.052 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -26.691 17.211 12.192 1.00 0.00 H new ATOM 652 N GLY B 23 -25.538 25.543 6.474 1.00 0.00 N ATOM 653 CA GLY B 23 -25.139 26.803 5.826 1.00 0.00 C ATOM 654 C GLY B 23 -24.723 26.758 4.355 1.00 0.00 C ATOM 655 O GLY B 23 -23.933 27.579 3.892 1.00 0.00 O ATOM 0 H GLY B 23 -26.465 25.225 6.192 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -25.971 27.502 5.916 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -24.308 27.222 6.394 1.00 0.00 H new ATOM 659 N PHE B 24 -25.179 25.734 3.664 1.00 0.00 N ATOM 660 CA PHE B 24 -24.398 25.105 2.589 1.00 0.00 C ATOM 661 C PHE B 24 -24.411 25.828 1.235 1.00 0.00 C ATOM 662 O PHE B 24 -25.383 26.487 0.861 1.00 0.00 O ATOM 663 CB PHE B 24 -24.864 23.659 2.511 1.00 0.00 C ATOM 664 CG PHE B 24 -24.258 22.805 3.566 1.00 0.00 C ATOM 665 CD1 PHE B 24 -23.750 23.306 4.771 1.00 0.00 C ATOM 666 CD2 PHE B 24 -24.164 21.452 3.251 1.00 0.00 C ATOM 667 CE1 PHE B 24 -23.232 22.407 5.716 1.00 0.00 C ATOM 668 CE2 PHE B 24 -23.609 20.577 4.189 1.00 0.00 C ATOM 669 CZ PHE B 24 -23.141 21.032 5.435 1.00 0.00 C ATOM 0 H PHE B 24 -26.093 25.308 3.820 1.00 0.00 H new ATOM 0 HA PHE B 24 -23.340 25.170 2.842 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -25.950 23.626 2.601 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -24.613 23.253 1.531 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -23.757 24.367 4.970 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -24.514 21.085 2.298 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -22.898 22.777 6.674 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -23.538 19.526 3.951 1.00 0.00 H new ATOM 0 HZ PHE B 24 -22.723 20.345 6.156 1.00 0.00 H new ATOM 679 N PHE B 25 -23.274 25.756 0.519 1.00 0.00 N ATOM 680 CA PHE B 25 -22.831 26.830 -0.337 1.00 0.00 C ATOM 681 C PHE B 25 -22.815 26.485 -1.807 1.00 0.00 C ATOM 682 O PHE B 25 -23.168 25.399 -2.277 1.00 0.00 O ATOM 683 CB PHE B 25 -21.449 27.152 0.215 1.00 0.00 C ATOM 684 CG PHE B 25 -20.813 28.437 -0.191 1.00 0.00 C ATOM 685 CD1 PHE B 25 -21.552 29.624 -0.205 1.00 0.00 C ATOM 686 CD2 PHE B 25 -19.525 28.403 -0.704 1.00 0.00 C ATOM 687 CE1 PHE B 25 -20.919 30.825 -0.596 1.00 0.00 C ATOM 688 CE2 PHE B 25 -18.909 29.586 -1.128 1.00 0.00 C ATOM 689 CZ PHE B 25 -19.598 30.814 -1.044 1.00 0.00 C ATOM 0 H PHE B 25 -22.651 24.948 0.529 1.00 0.00 H new ATOM 0 HA PHE B 25 -23.513 27.680 -0.317 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -21.514 27.141 1.303 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -20.778 26.342 -0.073 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -22.594 29.623 0.080 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -18.997 27.464 -0.776 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -21.461 31.758 -0.548 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -17.903 29.559 -1.521 1.00 0.00 H new ATOM 0 HZ PHE B 25 -19.108 31.735 -1.323 1.00 0.00 H new ATOM 699 N TYR B 26 -22.364 27.523 -2.466 1.00 0.00 N ATOM 700 CA TYR B 26 -22.262 27.822 -3.875 1.00 0.00 C ATOM 701 C TYR B 26 -21.085 28.727 -4.235 1.00 0.00 C ATOM 702 O TYR B 26 -20.895 29.818 -3.693 1.00 0.00 O ATOM 703 CB TYR B 26 -23.548 28.531 -4.266 1.00 0.00 C ATOM 704 CG TYR B 26 -24.639 27.534 -4.375 1.00 0.00 C ATOM 705 CD1 TYR B 26 -24.452 26.441 -5.220 1.00 0.00 C ATOM 706 CD2 TYR B 26 -25.591 27.507 -3.364 1.00 0.00 C ATOM 707 CE1 TYR B 26 -25.220 25.287 -5.024 1.00 0.00 C ATOM 708 CE2 TYR B 26 -26.325 26.352 -3.131 1.00 0.00 C ATOM 709 CZ TYR B 26 -26.160 25.230 -3.972 1.00 0.00 C ATOM 710 OH TYR B 26 -26.852 24.087 -3.717 1.00 0.00 O ATOM 0 H TYR B 26 -21.998 28.311 -1.931 1.00 0.00 H new ATOM 0 HA TYR B 26 -22.101 26.884 -4.407 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -23.802 29.286 -3.522 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -23.417 29.050 -5.215 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -23.724 26.484 -6.016 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -25.760 28.385 -2.759 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -25.093 24.438 -5.679 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -27.022 26.312 -2.307 1.00 0.00 H new ATOM 0 HH TYR B 26 -27.062 24.038 -2.761 1.00 0.00 H new ATOM 720 N THR B 27 -20.323 28.266 -5.198 1.00 0.00 N ATOM 721 CA THR B 27 -18.929 28.672 -5.432 1.00 0.00 C ATOM 722 C THR B 27 -18.568 29.317 -6.769 1.00 0.00 C ATOM 723 O THR B 27 -17.610 30.091 -6.759 1.00 0.00 O ATOM 724 CB THR B 27 -18.043 27.434 -5.140 1.00 0.00 C ATOM 725 OG1 THR B 27 -18.378 26.344 -5.967 1.00 0.00 O ATOM 726 CG2 THR B 27 -18.202 27.000 -3.676 1.00 0.00 C ATOM 0 H THR B 27 -20.653 27.574 -5.871 1.00 0.00 H new ATOM 0 HA THR B 27 -18.750 29.508 -4.756 1.00 0.00 H new ATOM 0 HB THR B 27 -17.012 27.725 -5.341 1.00 0.00 H new ATOM 0 HG1 THR B 27 -17.798 25.583 -5.756 1.00 0.00 H new ATOM 0 HG21 THR B 27 -17.574 26.130 -3.484 1.00 0.00 H new ATOM 0 HG22 THR B 27 -17.901 27.816 -3.020 1.00 0.00 H new ATOM 0 HG23 THR B 27 -19.244 26.745 -3.483 1.00 0.00 H new ATOM 734 N PRO B 28 -19.297 29.135 -7.875 1.00 0.00 N ATOM 735 CA PRO B 28 -19.027 29.857 -9.129 1.00 0.00 C ATOM 736 C PRO B 28 -19.271 31.373 -9.022 1.00 0.00 C ATOM 737 O PRO B 28 -19.955 31.836 -8.113 1.00 0.00 O ATOM 738 CB PRO B 28 -19.934 29.217 -10.185 1.00 0.00 C ATOM 739 CG PRO B 28 -20.235 27.839 -9.590 1.00 0.00 C ATOM 740 CD PRO B 28 -20.328 28.140 -8.118 1.00 0.00 C ATOM 0 HA PRO B 28 -17.973 29.770 -9.391 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -20.844 29.797 -10.341 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -19.436 29.139 -11.151 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -21.164 27.422 -9.979 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -19.446 27.120 -9.809 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -21.315 28.521 -7.854 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -20.161 27.244 -7.520 1.00 0.00 H new ATOM 748 N LYS B 29 -18.755 32.130 -9.998 1.00 0.00 N ATOM 749 CA LYS B 29 -18.948 33.584 -10.183 1.00 0.00 C ATOM 750 C LYS B 29 -19.263 33.896 -11.654 1.00 0.00 C ATOM 751 O LYS B 29 -18.709 33.265 -12.548 1.00 0.00 O ATOM 752 CB LYS B 29 -17.694 34.354 -9.743 1.00 0.00 C ATOM 753 CG LYS B 29 -17.307 34.283 -8.260 1.00 0.00 C ATOM 754 CD LYS B 29 -18.342 34.973 -7.360 1.00 0.00 C ATOM 755 CE LYS B 29 -17.921 34.929 -5.889 1.00 0.00 C ATOM 756 NZ LYS B 29 -16.715 35.763 -5.611 1.00 0.00 N ATOM 0 H LYS B 29 -18.159 31.729 -10.722 1.00 0.00 H new ATOM 0 HA LYS B 29 -19.788 33.900 -9.565 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -16.851 33.988 -10.329 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -17.833 35.403 -10.005 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -17.206 33.240 -7.962 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -16.333 34.751 -8.117 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -18.466 36.010 -7.674 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -19.310 34.487 -7.478 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -18.748 35.274 -5.268 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -17.718 33.897 -5.604 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -16.543 35.794 -4.586 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -15.889 35.349 -6.089 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -16.871 36.728 -5.965 1.00 0.00 H new ATOM 770 N ALA B 30 -20.143 34.887 -11.871 1.00 0.00 N ATOM 771 CA ALA B 30 -20.552 35.424 -13.187 1.00 0.00 C ATOM 772 C ALA B 30 -20.804 36.958 -13.163 1.00 0.00 C ATOM 773 O ALA B 30 -20.396 37.675 -14.107 1.00 0.00 O ATOM 774 CB ALA B 30 -21.816 34.656 -13.651 1.00 0.00 C ATOM 775 OXT ALA B 30 -21.407 37.433 -12.162 1.00 0.00 O ATOM 0 H ALA B 30 -20.613 35.361 -11.100 1.00 0.00 H new ATOM 0 HA ALA B 30 -19.735 35.275 -13.893 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -22.137 35.036 -14.621 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -21.586 33.594 -13.735 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -22.615 34.798 -12.924 1.00 0.00 H new TER 781 ALA B 30