USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 492 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 49 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 50 HIS : no HD1:sc= 0 X(o=0,f=0.3) USER MOD Set 2.1: A 7 SER OG : rot 148:sc= 1.28 USER MOD Set 2.2: A 9 SER OG : rot 180:sc= 0.0214 USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 77:sc= 0.107 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 178:sc= 0.465 (180deg=0.457) USER MOD Single : A 14 TYR OH : rot 25:sc= 1.23 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.109 K(o=-0.11,f=-1.2) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -173:sc= 1.21 (180deg=1.2) USER MOD Single : A 31 GLN : amide:sc=-0.000535 X(o=-0.00054,f=-0.045) USER MOD Single : A 32 GLN : amide:sc= -0.458 X(o=-0.46,f=-0.7) USER MOD Single : A 33 TYR OH : rot 173:sc= 1.2 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 141:sc= 1.32 USER MOD Single : A 40 TYR OH : rot 102:sc= 0.79 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.365 K(o=-0.36,f=-4.2!) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -28:sc= 0.41 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 29.888 31.200 39.588 1.00 0.00 N ATOM 2 CA LYS A 1 28.709 31.856 38.980 1.00 0.00 C ATOM 3 C LYS A 1 28.499 31.395 37.535 1.00 0.00 C ATOM 4 O LYS A 1 27.470 30.801 37.243 1.00 0.00 O ATOM 5 CB LYS A 1 28.760 33.395 39.103 1.00 0.00 C ATOM 6 CG LYS A 1 27.373 34.021 38.881 1.00 0.00 C ATOM 7 CD LYS A 1 27.419 35.537 38.644 1.00 0.00 C ATOM 8 CE LYS A 1 26.002 36.060 38.367 1.00 0.00 C ATOM 9 NZ LYS A 1 26.023 37.460 37.889 1.00 0.00 N ATOM 0 H1 LYS A 1 30.004 31.533 40.567 1.00 0.00 H new ATOM 0 H2 LYS A 1 29.751 30.169 39.587 1.00 0.00 H new ATOM 0 H3 LYS A 1 30.739 31.437 39.039 1.00 0.00 H new ATOM 0 HA LYS A 1 27.836 31.539 39.551 1.00 0.00 H new ATOM 0 HB2 LYS A 1 29.132 33.671 40.090 1.00 0.00 H new ATOM 0 HB3 LYS A 1 29.463 33.797 38.374 1.00 0.00 H new ATOM 0 HG2 LYS A 1 26.899 33.541 38.025 1.00 0.00 H new ATOM 0 HG3 LYS A 1 26.747 33.815 39.749 1.00 0.00 H new ATOM 0 HD2 LYS A 1 27.838 36.039 39.516 1.00 0.00 H new ATOM 0 HD3 LYS A 1 28.072 35.764 37.801 1.00 0.00 H new ATOM 0 HE2 LYS A 1 25.519 35.428 37.622 1.00 0.00 H new ATOM 0 HE3 LYS A 1 25.405 35.994 39.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 25.050 37.781 37.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 26.462 38.067 38.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 26.572 37.518 37.008 1.00 0.00 H new ATOM 25 N GLU A 2 29.434 31.674 36.619 1.00 0.00 N ATOM 26 CA GLU A 2 29.325 31.377 35.173 1.00 0.00 C ATOM 27 C GLU A 2 30.653 30.807 34.642 1.00 0.00 C ATOM 28 O GLU A 2 31.717 31.106 35.191 1.00 0.00 O ATOM 29 CB GLU A 2 28.896 32.634 34.385 1.00 0.00 C ATOM 30 CG GLU A 2 27.534 33.156 34.876 1.00 0.00 C ATOM 31 CD GLU A 2 26.962 34.347 34.103 1.00 0.00 C ATOM 32 OE1 GLU A 2 27.728 35.228 33.633 1.00 0.00 O ATOM 33 OE2 GLU A 2 25.713 34.456 34.039 1.00 0.00 O ATOM 0 H GLU A 2 30.315 32.126 36.863 1.00 0.00 H new ATOM 0 HA GLU A 2 28.553 30.621 35.030 1.00 0.00 H new ATOM 0 HB2 GLU A 2 29.650 33.413 34.498 1.00 0.00 H new ATOM 0 HB3 GLU A 2 28.837 32.399 33.322 1.00 0.00 H new ATOM 0 HG2 GLU A 2 26.815 32.338 34.832 1.00 0.00 H new ATOM 0 HG3 GLU A 2 27.630 33.439 35.924 1.00 0.00 H new ATOM 40 N GLY A 3 30.612 29.948 33.620 1.00 0.00 N ATOM 41 CA GLY A 3 31.786 29.193 33.162 1.00 0.00 C ATOM 42 C GLY A 3 31.441 28.071 32.180 1.00 0.00 C ATOM 43 O GLY A 3 30.334 28.032 31.639 1.00 0.00 O ATOM 0 H GLY A 3 29.765 29.755 33.085 1.00 0.00 H new ATOM 0 HA2 GLY A 3 32.487 29.879 32.687 1.00 0.00 H new ATOM 0 HA3 GLY A 3 32.294 28.766 34.027 1.00 0.00 H new ATOM 47 N TYR A 4 32.379 27.146 31.950 1.00 0.00 N ATOM 48 CA TYR A 4 32.223 26.053 30.998 1.00 0.00 C ATOM 49 C TYR A 4 31.323 24.910 31.508 1.00 0.00 C ATOM 50 O TYR A 4 31.100 24.736 32.715 1.00 0.00 O ATOM 51 CB TYR A 4 33.605 25.566 30.540 1.00 0.00 C ATOM 52 CG TYR A 4 34.374 26.559 29.682 1.00 0.00 C ATOM 53 CD1 TYR A 4 34.173 26.600 28.286 1.00 0.00 C ATOM 54 CD2 TYR A 4 35.302 27.437 30.275 1.00 0.00 C ATOM 55 CE1 TYR A 4 34.894 27.507 27.489 1.00 0.00 C ATOM 56 CE2 TYR A 4 36.029 28.343 29.480 1.00 0.00 C ATOM 57 CZ TYR A 4 35.827 28.380 28.082 1.00 0.00 C ATOM 58 OH TYR A 4 36.495 29.266 27.302 1.00 0.00 O ATOM 0 H TYR A 4 33.279 27.140 32.430 1.00 0.00 H new ATOM 0 HA TYR A 4 31.688 26.443 30.132 1.00 0.00 H new ATOM 0 HB2 TYR A 4 34.202 25.328 31.420 1.00 0.00 H new ATOM 0 HB3 TYR A 4 33.482 24.640 29.979 1.00 0.00 H new ATOM 0 HD1 TYR A 4 33.461 25.931 27.827 1.00 0.00 H new ATOM 0 HD2 TYR A 4 35.456 27.415 31.344 1.00 0.00 H new ATOM 0 HE1 TYR A 4 34.732 27.534 26.422 1.00 0.00 H new ATOM 0 HE2 TYR A 4 36.742 29.011 29.939 1.00 0.00 H new ATOM 0 HH TYR A 4 35.903 30.013 27.074 1.00 0.00 H new ATOM 68 N LEU A 5 30.798 24.144 30.547 1.00 0.00 N ATOM 69 CA LEU A 5 29.788 23.099 30.728 1.00 0.00 C ATOM 70 C LEU A 5 30.290 21.850 31.483 1.00 0.00 C ATOM 71 O LEU A 5 31.210 21.146 31.058 1.00 0.00 O ATOM 72 CB LEU A 5 29.207 22.753 29.340 1.00 0.00 C ATOM 73 CG LEU A 5 28.312 21.498 29.284 1.00 0.00 C ATOM 74 CD1 LEU A 5 27.057 21.593 30.153 1.00 0.00 C ATOM 75 CD2 LEU A 5 27.851 21.282 27.843 1.00 0.00 C ATOM 0 H LEU A 5 31.081 24.242 29.572 1.00 0.00 H new ATOM 0 HA LEU A 5 29.007 23.490 31.380 1.00 0.00 H new ATOM 0 HB2 LEU A 5 28.628 23.606 28.986 1.00 0.00 H new ATOM 0 HB3 LEU A 5 30.034 22.618 28.643 1.00 0.00 H new ATOM 0 HG LEU A 5 28.919 20.676 29.663 1.00 0.00 H new ATOM 0 HD11 LEU A 5 26.480 20.673 30.060 1.00 0.00 H new ATOM 0 HD12 LEU A 5 27.345 21.737 31.194 1.00 0.00 H new ATOM 0 HD13 LEU A 5 26.450 22.437 29.825 1.00 0.00 H new ATOM 0 HD21 LEU A 5 27.217 20.397 27.793 1.00 0.00 H new ATOM 0 HD22 LEU A 5 27.286 22.152 27.507 1.00 0.00 H new ATOM 0 HD23 LEU A 5 28.720 21.143 27.200 1.00 0.00 H new ATOM 87 N VAL A 6 29.573 21.515 32.555 1.00 0.00 N ATOM 88 CA VAL A 6 29.595 20.214 33.230 1.00 0.00 C ATOM 89 C VAL A 6 28.167 19.782 33.583 1.00 0.00 C ATOM 90 O VAL A 6 27.372 20.563 34.112 1.00 0.00 O ATOM 91 CB VAL A 6 30.543 20.234 34.449 1.00 0.00 C ATOM 92 CG1 VAL A 6 30.262 21.385 35.424 1.00 0.00 C ATOM 93 CG2 VAL A 6 30.511 18.910 35.219 1.00 0.00 C ATOM 0 H VAL A 6 28.931 22.172 32.998 1.00 0.00 H new ATOM 0 HA VAL A 6 29.999 19.463 32.551 1.00 0.00 H new ATOM 0 HB VAL A 6 31.536 20.388 34.026 1.00 0.00 H new ATOM 0 HG11 VAL A 6 30.965 21.337 36.256 1.00 0.00 H new ATOM 0 HG12 VAL A 6 30.377 22.337 34.906 1.00 0.00 H new ATOM 0 HG13 VAL A 6 29.244 21.300 35.804 1.00 0.00 H new ATOM 0 HG21 VAL A 6 31.192 18.967 36.068 1.00 0.00 H new ATOM 0 HG22 VAL A 6 29.499 18.722 35.577 1.00 0.00 H new ATOM 0 HG23 VAL A 6 30.820 18.098 34.560 1.00 0.00 H new ATOM 103 N SER A 7 27.836 18.522 33.294 1.00 0.00 N ATOM 104 CA SER A 7 26.522 17.924 33.558 1.00 0.00 C ATOM 105 C SER A 7 26.605 16.781 34.571 1.00 0.00 C ATOM 106 O SER A 7 27.629 16.095 34.697 1.00 0.00 O ATOM 107 CB SER A 7 25.884 17.459 32.246 1.00 0.00 C ATOM 108 OG SER A 7 24.565 17.023 32.492 1.00 0.00 O ATOM 0 H SER A 7 28.490 17.871 32.859 1.00 0.00 H new ATOM 0 HA SER A 7 25.888 18.690 34.004 1.00 0.00 H new ATOM 0 HB2 SER A 7 25.880 18.274 31.523 1.00 0.00 H new ATOM 0 HB3 SER A 7 26.471 16.650 31.811 1.00 0.00 H new ATOM 0 HG SER A 7 24.006 17.213 31.710 1.00 0.00 H new ATOM 114 N LYS A 8 25.497 16.533 35.279 1.00 0.00 N ATOM 115 CA LYS A 8 25.352 15.405 36.211 1.00 0.00 C ATOM 116 C LYS A 8 25.361 14.053 35.483 1.00 0.00 C ATOM 117 O LYS A 8 25.808 13.057 36.050 1.00 0.00 O ATOM 118 CB LYS A 8 24.069 15.620 37.033 1.00 0.00 C ATOM 119 CG LYS A 8 23.926 14.611 38.182 1.00 0.00 C ATOM 120 CD LYS A 8 22.656 14.857 39.005 1.00 0.00 C ATOM 121 CE LYS A 8 22.563 13.756 40.062 1.00 0.00 C ATOM 122 NZ LYS A 8 21.269 13.758 40.778 1.00 0.00 N ATOM 0 H LYS A 8 24.663 17.118 35.221 1.00 0.00 H new ATOM 0 HA LYS A 8 26.208 15.374 36.885 1.00 0.00 H new ATOM 0 HB2 LYS A 8 24.068 16.631 37.440 1.00 0.00 H new ATOM 0 HB3 LYS A 8 23.203 15.541 36.375 1.00 0.00 H new ATOM 0 HG2 LYS A 8 23.905 13.600 37.776 1.00 0.00 H new ATOM 0 HG3 LYS A 8 24.798 14.676 38.832 1.00 0.00 H new ATOM 0 HD2 LYS A 8 22.691 15.838 39.478 1.00 0.00 H new ATOM 0 HD3 LYS A 8 21.776 14.845 38.362 1.00 0.00 H new ATOM 0 HE2 LYS A 8 22.708 12.787 39.584 1.00 0.00 H new ATOM 0 HE3 LYS A 8 23.372 13.880 40.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.261 12.992 41.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 21.139 14.671 41.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 20.496 13.612 40.098 1.00 0.00 H new ATOM 136 N SER A 9 24.919 14.016 34.224 1.00 0.00 N ATOM 137 CA SER A 9 24.745 12.802 33.410 1.00 0.00 C ATOM 138 C SER A 9 25.994 12.356 32.636 1.00 0.00 C ATOM 139 O SER A 9 26.234 11.149 32.514 1.00 0.00 O ATOM 140 CB SER A 9 23.619 13.071 32.411 1.00 0.00 C ATOM 141 OG SER A 9 23.953 14.216 31.654 1.00 0.00 O ATOM 0 H SER A 9 24.661 14.864 33.719 1.00 0.00 H new ATOM 0 HA SER A 9 24.522 11.989 34.101 1.00 0.00 H new ATOM 0 HB2 SER A 9 23.481 12.211 31.756 1.00 0.00 H new ATOM 0 HB3 SER A 9 22.676 13.226 32.936 1.00 0.00 H new ATOM 0 HG SER A 9 23.240 14.400 31.007 1.00 0.00 H new ATOM 147 N THR A 10 26.773 13.310 32.113 1.00 0.00 N ATOM 148 CA THR A 10 27.867 13.085 31.140 1.00 0.00 C ATOM 149 C THR A 10 29.214 13.701 31.538 1.00 0.00 C ATOM 150 O THR A 10 30.195 13.556 30.798 1.00 0.00 O ATOM 151 CB THR A 10 27.470 13.624 29.755 1.00 0.00 C ATOM 152 OG1 THR A 10 27.153 14.996 29.845 1.00 0.00 O ATOM 153 CG2 THR A 10 26.278 12.883 29.157 1.00 0.00 C ATOM 0 H THR A 10 26.662 14.294 32.358 1.00 0.00 H new ATOM 0 HA THR A 10 28.009 12.004 31.121 1.00 0.00 H new ATOM 0 HB THR A 10 28.327 13.468 29.100 1.00 0.00 H new ATOM 0 HG1 THR A 10 26.903 15.333 28.959 1.00 0.00 H new ATOM 0 HG21 THR A 10 26.041 13.304 28.180 1.00 0.00 H new ATOM 0 HG22 THR A 10 26.524 11.827 29.047 1.00 0.00 H new ATOM 0 HG23 THR A 10 25.416 12.988 29.816 1.00 0.00 H new ATOM 161 N GLY A 11 29.300 14.371 32.691 1.00 0.00 N ATOM 162 CA GLY A 11 30.510 15.049 33.166 1.00 0.00 C ATOM 163 C GLY A 11 30.827 16.342 32.408 1.00 0.00 C ATOM 164 O GLY A 11 29.939 16.988 31.847 1.00 0.00 O ATOM 0 H GLY A 11 28.513 14.459 33.334 1.00 0.00 H new ATOM 0 HA2 GLY A 11 30.396 15.278 34.226 1.00 0.00 H new ATOM 0 HA3 GLY A 11 31.357 14.368 33.076 1.00 0.00 H new ATOM 168 N CYS A 12 32.096 16.744 32.417 1.00 0.00 N ATOM 169 CA CYS A 12 32.604 17.917 31.709 1.00 0.00 C ATOM 170 C CYS A 12 32.694 17.657 30.193 1.00 0.00 C ATOM 171 O CYS A 12 33.314 16.679 29.749 1.00 0.00 O ATOM 172 CB CYS A 12 33.944 18.329 32.334 1.00 0.00 C ATOM 173 SG CYS A 12 34.778 19.696 31.489 1.00 0.00 S ATOM 0 H CYS A 12 32.822 16.247 32.933 1.00 0.00 H new ATOM 0 HA CYS A 12 31.911 18.751 31.818 1.00 0.00 H new ATOM 0 HB2 CYS A 12 33.774 18.610 33.373 1.00 0.00 H new ATOM 0 HB3 CYS A 12 34.608 17.464 32.342 1.00 0.00 H new ATOM 178 N LYS A 13 32.078 18.547 29.403 1.00 0.00 N ATOM 179 CA LYS A 13 31.992 18.490 27.934 1.00 0.00 C ATOM 180 C LYS A 13 32.300 19.868 27.347 1.00 0.00 C ATOM 181 O LYS A 13 31.772 20.871 27.816 1.00 0.00 O ATOM 182 CB LYS A 13 30.599 18.009 27.498 1.00 0.00 C ATOM 183 CG LYS A 13 30.312 16.516 27.751 1.00 0.00 C ATOM 184 CD LYS A 13 31.079 15.591 26.788 1.00 0.00 C ATOM 185 CE LYS A 13 30.491 14.174 26.761 1.00 0.00 C ATOM 186 NZ LYS A 13 30.789 13.394 27.986 1.00 0.00 N ATOM 0 H LYS A 13 31.604 19.365 29.787 1.00 0.00 H new ATOM 0 HA LYS A 13 32.727 17.778 27.559 1.00 0.00 H new ATOM 0 HB2 LYS A 13 29.848 18.601 28.021 1.00 0.00 H new ATOM 0 HB3 LYS A 13 30.479 18.210 26.433 1.00 0.00 H new ATOM 0 HG2 LYS A 13 30.581 16.268 28.778 1.00 0.00 H new ATOM 0 HG3 LYS A 13 29.242 16.334 27.648 1.00 0.00 H new ATOM 0 HD2 LYS A 13 31.054 16.013 25.783 1.00 0.00 H new ATOM 0 HD3 LYS A 13 32.126 15.543 27.088 1.00 0.00 H new ATOM 0 HE2 LYS A 13 29.410 14.238 26.633 1.00 0.00 H new ATOM 0 HE3 LYS A 13 30.883 13.641 25.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 30.337 12.460 27.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 31.818 13.275 28.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 30.421 13.899 28.817 1.00 0.00 H new ATOM 200 N TYR A 14 33.176 19.917 26.344 1.00 0.00 N ATOM 201 CA TYR A 14 33.821 21.160 25.910 1.00 0.00 C ATOM 202 C TYR A 14 33.431 21.567 24.486 1.00 0.00 C ATOM 203 O TYR A 14 32.816 22.615 24.307 1.00 0.00 O ATOM 204 CB TYR A 14 35.343 21.029 26.107 1.00 0.00 C ATOM 205 CG TYR A 14 36.129 22.330 26.131 1.00 0.00 C ATOM 206 CD1 TYR A 14 35.906 23.260 27.164 1.00 0.00 C ATOM 207 CD2 TYR A 14 37.151 22.571 25.190 1.00 0.00 C ATOM 208 CE1 TYR A 14 36.730 24.397 27.288 1.00 0.00 C ATOM 209 CE2 TYR A 14 37.971 23.712 25.304 1.00 0.00 C ATOM 210 CZ TYR A 14 37.775 24.619 26.367 1.00 0.00 C ATOM 211 OH TYR A 14 38.604 25.686 26.522 1.00 0.00 O ATOM 0 H TYR A 14 33.460 19.097 25.808 1.00 0.00 H new ATOM 0 HA TYR A 14 33.460 21.980 26.532 1.00 0.00 H new ATOM 0 HB2 TYR A 14 35.523 20.502 27.044 1.00 0.00 H new ATOM 0 HB3 TYR A 14 35.740 20.403 25.308 1.00 0.00 H new ATOM 0 HD1 TYR A 14 35.100 23.102 27.865 1.00 0.00 H new ATOM 0 HD2 TYR A 14 37.307 21.877 24.377 1.00 0.00 H new ATOM 0 HE1 TYR A 14 36.561 25.100 28.090 1.00 0.00 H new ATOM 0 HE2 TYR A 14 38.750 23.892 24.577 1.00 0.00 H new ATOM 0 HH TYR A 14 38.620 25.953 27.465 1.00 0.00 H new ATOM 221 N GLU A 15 33.770 20.758 23.478 1.00 0.00 N ATOM 222 CA GLU A 15 33.774 21.172 22.063 1.00 0.00 C ATOM 223 C GLU A 15 32.395 21.558 21.490 1.00 0.00 C ATOM 224 O GLU A 15 31.371 20.946 21.809 1.00 0.00 O ATOM 225 CB GLU A 15 34.396 20.069 21.186 1.00 0.00 C ATOM 226 CG GLU A 15 35.887 19.849 21.467 1.00 0.00 C ATOM 227 CD GLU A 15 36.492 18.811 20.513 1.00 0.00 C ATOM 228 OE1 GLU A 15 36.504 19.050 19.279 1.00 0.00 O ATOM 229 OE2 GLU A 15 37.003 17.769 20.991 1.00 0.00 O ATOM 0 H GLU A 15 34.053 19.788 23.618 1.00 0.00 H new ATOM 0 HA GLU A 15 34.374 22.081 22.040 1.00 0.00 H new ATOM 0 HB2 GLU A 15 33.859 19.135 21.352 1.00 0.00 H new ATOM 0 HB3 GLU A 15 34.265 20.330 20.136 1.00 0.00 H new ATOM 0 HG2 GLU A 15 36.421 20.794 21.364 1.00 0.00 H new ATOM 0 HG3 GLU A 15 36.019 19.518 22.497 1.00 0.00 H new ATOM 236 N CYS A 16 32.396 22.529 20.571 1.00 0.00 N ATOM 237 CA CYS A 16 31.268 22.929 19.727 1.00 0.00 C ATOM 238 C CYS A 16 31.741 23.192 18.281 1.00 0.00 C ATOM 239 O CYS A 16 32.880 23.619 18.062 1.00 0.00 O ATOM 240 CB CYS A 16 30.609 24.163 20.357 1.00 0.00 C ATOM 241 SG CYS A 16 29.294 24.957 19.391 1.00 0.00 S ATOM 0 H CYS A 16 33.230 23.087 20.387 1.00 0.00 H new ATOM 0 HA CYS A 16 30.530 22.129 19.670 1.00 0.00 H new ATOM 0 HB2 CYS A 16 30.196 23.874 21.323 1.00 0.00 H new ATOM 0 HB3 CYS A 16 31.385 24.903 20.551 1.00 0.00 H new ATOM 246 N LEU A 17 30.887 22.949 17.279 1.00 0.00 N ATOM 247 CA LEU A 17 31.278 23.016 15.858 1.00 0.00 C ATOM 248 C LEU A 17 31.326 24.437 15.255 1.00 0.00 C ATOM 249 O LEU A 17 31.787 24.593 14.126 1.00 0.00 O ATOM 250 CB LEU A 17 30.460 22.008 15.018 1.00 0.00 C ATOM 251 CG LEU A 17 29.174 22.518 14.336 1.00 0.00 C ATOM 252 CD1 LEU A 17 28.579 21.391 13.493 1.00 0.00 C ATOM 253 CD2 LEU A 17 28.111 22.994 15.322 1.00 0.00 C ATOM 0 H LEU A 17 29.908 22.701 17.425 1.00 0.00 H new ATOM 0 HA LEU A 17 32.324 22.711 15.818 1.00 0.00 H new ATOM 0 HB2 LEU A 17 31.114 21.609 14.243 1.00 0.00 H new ATOM 0 HB3 LEU A 17 30.188 21.175 15.666 1.00 0.00 H new ATOM 0 HG LEU A 17 29.460 23.376 13.727 1.00 0.00 H new ATOM 0 HD11 LEU A 17 27.669 21.742 13.007 1.00 0.00 H new ATOM 0 HD12 LEU A 17 29.300 21.084 12.735 1.00 0.00 H new ATOM 0 HD13 LEU A 17 28.343 20.542 14.135 1.00 0.00 H new ATOM 0 HD21 LEU A 17 27.234 23.339 14.774 1.00 0.00 H new ATOM 0 HD22 LEU A 17 27.828 22.171 15.978 1.00 0.00 H new ATOM 0 HD23 LEU A 17 28.510 23.813 15.920 1.00 0.00 H new ATOM 265 N LYS A 18 30.860 25.460 15.987 1.00 0.00 N ATOM 266 CA LYS A 18 30.804 26.877 15.575 1.00 0.00 C ATOM 267 C LYS A 18 31.158 27.821 16.733 1.00 0.00 C ATOM 268 O LYS A 18 31.123 27.432 17.899 1.00 0.00 O ATOM 269 CB LYS A 18 29.404 27.213 15.011 1.00 0.00 C ATOM 270 CG LYS A 18 29.200 26.741 13.561 1.00 0.00 C ATOM 271 CD LYS A 18 27.888 27.279 12.970 1.00 0.00 C ATOM 272 CE LYS A 18 27.770 26.936 11.480 1.00 0.00 C ATOM 273 NZ LYS A 18 26.529 27.496 10.896 1.00 0.00 N ATOM 0 H LYS A 18 30.493 25.318 16.928 1.00 0.00 H new ATOM 0 HA LYS A 18 31.549 27.026 14.793 1.00 0.00 H new ATOM 0 HB2 LYS A 18 28.645 26.754 15.645 1.00 0.00 H new ATOM 0 HB3 LYS A 18 29.250 28.291 15.059 1.00 0.00 H new ATOM 0 HG2 LYS A 18 30.038 27.073 12.949 1.00 0.00 H new ATOM 0 HG3 LYS A 18 29.194 25.651 13.530 1.00 0.00 H new ATOM 0 HD2 LYS A 18 27.042 26.856 13.511 1.00 0.00 H new ATOM 0 HD3 LYS A 18 27.843 28.360 13.102 1.00 0.00 H new ATOM 0 HE2 LYS A 18 28.635 27.327 10.945 1.00 0.00 H new ATOM 0 HE3 LYS A 18 27.779 25.854 11.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 26.477 27.248 9.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 25.704 27.103 11.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 26.534 28.531 10.998 1.00 0.00 H new ATOM 287 N LEU A 19 31.459 29.076 16.403 1.00 0.00 N ATOM 288 CA LEU A 19 31.719 30.185 17.330 1.00 0.00 C ATOM 289 C LEU A 19 30.497 31.116 17.436 1.00 0.00 C ATOM 290 O LEU A 19 29.902 31.495 16.419 1.00 0.00 O ATOM 291 CB LEU A 19 32.963 30.932 16.822 1.00 0.00 C ATOM 292 CG LEU A 19 33.524 32.028 17.740 1.00 0.00 C ATOM 293 CD1 LEU A 19 34.120 31.443 19.021 1.00 0.00 C ATOM 294 CD2 LEU A 19 34.624 32.782 16.994 1.00 0.00 C ATOM 0 H LEU A 19 31.533 29.366 15.428 1.00 0.00 H new ATOM 0 HA LEU A 19 31.901 29.807 18.336 1.00 0.00 H new ATOM 0 HB2 LEU A 19 33.751 30.201 16.642 1.00 0.00 H new ATOM 0 HB3 LEU A 19 32.721 31.383 15.860 1.00 0.00 H new ATOM 0 HG LEU A 19 32.704 32.692 18.013 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.506 32.250 19.644 1.00 0.00 H new ATOM 0 HD12 LEU A 19 33.348 30.901 19.567 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.931 30.761 18.766 1.00 0.00 H new ATOM 0 HD21 LEU A 19 35.030 33.563 17.637 1.00 0.00 H new ATOM 0 HD22 LEU A 19 35.419 32.088 16.720 1.00 0.00 H new ATOM 0 HD23 LEU A 19 34.209 33.233 16.093 1.00 0.00 H new ATOM 306 N GLY A 20 30.112 31.483 18.662 1.00 0.00 N ATOM 307 CA GLY A 20 28.965 32.361 18.950 1.00 0.00 C ATOM 308 C GLY A 20 27.572 31.734 18.752 1.00 0.00 C ATOM 309 O GLY A 20 26.569 32.364 19.091 1.00 0.00 O ATOM 0 H GLY A 20 30.598 31.173 19.504 1.00 0.00 H new ATOM 0 HA2 GLY A 20 29.045 32.704 19.982 1.00 0.00 H new ATOM 0 HA3 GLY A 20 29.039 33.243 18.314 1.00 0.00 H new ATOM 313 N ASP A 21 27.501 30.502 18.238 1.00 0.00 N ATOM 314 CA ASP A 21 26.290 29.669 18.150 1.00 0.00 C ATOM 315 C ASP A 21 25.972 29.007 19.515 1.00 0.00 C ATOM 316 O ASP A 21 26.656 29.279 20.500 1.00 0.00 O ATOM 317 CB ASP A 21 26.498 28.644 17.018 1.00 0.00 C ATOM 318 CG ASP A 21 25.196 28.315 16.286 1.00 0.00 C ATOM 319 OD1 ASP A 21 24.323 27.637 16.875 1.00 0.00 O ATOM 320 OD2 ASP A 21 25.034 28.753 15.126 1.00 0.00 O ATOM 0 H ASP A 21 28.322 30.034 17.854 1.00 0.00 H new ATOM 0 HA ASP A 21 25.419 30.279 17.911 1.00 0.00 H new ATOM 0 HB2 ASP A 21 27.224 29.036 16.305 1.00 0.00 H new ATOM 0 HB3 ASP A 21 26.920 27.729 17.433 1.00 0.00 H new ATOM 325 N ASN A 22 24.962 28.133 19.612 1.00 0.00 N ATOM 326 CA ASN A 22 24.533 27.516 20.886 1.00 0.00 C ATOM 327 C ASN A 22 24.411 25.979 20.874 1.00 0.00 C ATOM 328 O ASN A 22 23.814 25.384 21.774 1.00 0.00 O ATOM 329 CB ASN A 22 23.259 28.221 21.387 1.00 0.00 C ATOM 330 CG ASN A 22 21.982 27.865 20.639 1.00 0.00 C ATOM 331 OD1 ASN A 22 21.967 27.156 19.641 1.00 0.00 O ATOM 332 ND2 ASN A 22 20.856 28.352 21.094 1.00 0.00 N ATOM 0 H ASN A 22 24.413 27.829 18.808 1.00 0.00 H new ATOM 0 HA ASN A 22 25.342 27.676 21.599 1.00 0.00 H new ATOM 0 HB2 ASN A 22 23.122 27.981 22.441 1.00 0.00 H new ATOM 0 HB3 ASN A 22 23.410 29.298 21.322 1.00 0.00 H new ATOM 0 HD21 ASN A 22 19.979 28.140 20.618 1.00 0.00 H new ATOM 0 HD22 ASN A 22 20.855 28.944 21.925 1.00 0.00 H new ATOM 339 N ASP A 23 24.979 25.343 19.852 1.00 0.00 N ATOM 340 CA ASP A 23 24.563 24.033 19.334 1.00 0.00 C ATOM 341 C ASP A 23 24.602 22.856 20.331 1.00 0.00 C ATOM 342 O ASP A 23 23.593 22.166 20.492 1.00 0.00 O ATOM 343 CB ASP A 23 25.402 23.758 18.082 1.00 0.00 C ATOM 344 CG ASP A 23 25.046 22.416 17.457 1.00 0.00 C ATOM 345 OD1 ASP A 23 23.949 22.299 16.865 1.00 0.00 O ATOM 346 OD2 ASP A 23 25.876 21.483 17.555 1.00 0.00 O ATOM 0 H ASP A 23 25.770 25.736 19.341 1.00 0.00 H new ATOM 0 HA ASP A 23 23.498 24.096 19.108 1.00 0.00 H new ATOM 0 HB2 ASP A 23 25.243 24.553 17.354 1.00 0.00 H new ATOM 0 HB3 ASP A 23 26.461 23.771 18.342 1.00 0.00 H new ATOM 351 N TYR A 24 25.706 22.646 21.057 1.00 0.00 N ATOM 352 CA TYR A 24 25.769 21.612 22.107 1.00 0.00 C ATOM 353 C TYR A 24 25.267 22.116 23.474 1.00 0.00 C ATOM 354 O TYR A 24 24.815 21.329 24.304 1.00 0.00 O ATOM 355 CB TYR A 24 27.203 21.055 22.195 1.00 0.00 C ATOM 356 CG TYR A 24 27.347 19.815 23.067 1.00 0.00 C ATOM 357 CD1 TYR A 24 27.573 19.936 24.453 1.00 0.00 C ATOM 358 CD2 TYR A 24 27.237 18.532 22.495 1.00 0.00 C ATOM 359 CE1 TYR A 24 27.665 18.782 25.258 1.00 0.00 C ATOM 360 CE2 TYR A 24 27.336 17.378 23.298 1.00 0.00 C ATOM 361 CZ TYR A 24 27.547 17.500 24.686 1.00 0.00 C ATOM 362 OH TYR A 24 27.615 16.403 25.484 1.00 0.00 O ATOM 0 H TYR A 24 26.570 23.176 20.940 1.00 0.00 H new ATOM 0 HA TYR A 24 25.090 20.807 21.826 1.00 0.00 H new ATOM 0 HB2 TYR A 24 27.550 20.818 21.189 1.00 0.00 H new ATOM 0 HB3 TYR A 24 27.859 21.835 22.583 1.00 0.00 H new ATOM 0 HD1 TYR A 24 27.676 20.914 24.899 1.00 0.00 H new ATOM 0 HD2 TYR A 24 27.075 18.432 21.432 1.00 0.00 H new ATOM 0 HE1 TYR A 24 27.827 18.882 26.321 1.00 0.00 H new ATOM 0 HE2 TYR A 24 27.250 16.399 22.849 1.00 0.00 H new ATOM 0 HH TYR A 24 27.515 15.595 24.939 1.00 0.00 H new ATOM 372 N CYS A 25 25.358 23.422 23.733 1.00 0.00 N ATOM 373 CA CYS A 25 25.369 23.966 25.094 1.00 0.00 C ATOM 374 C CYS A 25 23.967 24.146 25.695 1.00 0.00 C ATOM 375 O CYS A 25 23.711 23.754 26.835 1.00 0.00 O ATOM 376 CB CYS A 25 26.125 25.307 25.092 1.00 0.00 C ATOM 377 SG CYS A 25 27.510 25.464 23.927 1.00 0.00 S ATOM 0 H CYS A 25 25.426 24.133 23.005 1.00 0.00 H new ATOM 0 HA CYS A 25 25.875 23.239 25.729 1.00 0.00 H new ATOM 0 HB2 CYS A 25 25.409 26.100 24.878 1.00 0.00 H new ATOM 0 HB3 CYS A 25 26.505 25.484 26.098 1.00 0.00 H new ATOM 382 N LEU A 26 23.057 24.755 24.930 1.00 0.00 N ATOM 383 CA LEU A 26 21.743 25.185 25.414 1.00 0.00 C ATOM 384 C LEU A 26 20.862 23.974 25.774 1.00 0.00 C ATOM 385 O LEU A 26 20.314 23.928 26.877 1.00 0.00 O ATOM 386 CB LEU A 26 21.153 26.140 24.351 1.00 0.00 C ATOM 387 CG LEU A 26 19.912 26.977 24.710 1.00 0.00 C ATOM 388 CD1 LEU A 26 18.632 26.150 24.788 1.00 0.00 C ATOM 389 CD2 LEU A 26 20.103 27.768 26.006 1.00 0.00 C ATOM 0 H LEU A 26 23.214 24.966 23.945 1.00 0.00 H new ATOM 0 HA LEU A 26 21.811 25.737 26.351 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.942 26.831 24.055 1.00 0.00 H new ATOM 0 HB3 LEU A 26 20.905 25.543 23.473 1.00 0.00 H new ATOM 0 HG LEU A 26 19.798 27.682 23.886 1.00 0.00 H new ATOM 0 HD11 LEU A 26 17.795 26.799 25.045 1.00 0.00 H new ATOM 0 HD12 LEU A 26 18.444 25.679 23.823 1.00 0.00 H new ATOM 0 HD13 LEU A 26 18.742 25.380 25.552 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.201 28.343 26.218 1.00 0.00 H new ATOM 0 HD22 LEU A 26 20.295 27.079 26.828 1.00 0.00 H new ATOM 0 HD23 LEU A 26 20.949 28.447 25.897 1.00 0.00 H new ATOM 401 N ARG A 27 20.853 22.941 24.917 1.00 0.00 N ATOM 402 CA ARG A 27 20.141 21.656 25.103 1.00 0.00 C ATOM 403 C ARG A 27 20.668 20.766 26.241 1.00 0.00 C ATOM 404 O ARG A 27 20.143 19.672 26.457 1.00 0.00 O ATOM 405 CB ARG A 27 20.057 20.911 23.754 1.00 0.00 C ATOM 406 CG ARG A 27 21.395 20.324 23.267 1.00 0.00 C ATOM 407 CD ARG A 27 21.291 19.877 21.800 1.00 0.00 C ATOM 408 NE ARG A 27 22.590 19.424 21.263 1.00 0.00 N ATOM 409 CZ ARG A 27 23.096 18.203 21.325 1.00 0.00 C ATOM 410 NH1 ARG A 27 22.488 17.217 21.914 1.00 0.00 N ATOM 411 NH2 ARG A 27 24.238 17.928 20.777 1.00 0.00 N ATOM 0 H ARG A 27 21.363 22.975 24.034 1.00 0.00 H new ATOM 0 HA ARG A 27 19.136 21.909 25.442 1.00 0.00 H new ATOM 0 HB2 ARG A 27 19.331 20.103 23.844 1.00 0.00 H new ATOM 0 HB3 ARG A 27 19.678 21.597 22.997 1.00 0.00 H new ATOM 0 HG2 ARG A 27 22.184 21.069 23.370 1.00 0.00 H new ATOM 0 HG3 ARG A 27 21.674 19.476 23.892 1.00 0.00 H new ATOM 0 HD2 ARG A 27 20.564 19.069 21.719 1.00 0.00 H new ATOM 0 HD3 ARG A 27 20.918 20.704 21.195 1.00 0.00 H new ATOM 0 HE ARG A 27 23.159 20.129 20.793 1.00 0.00 H new ATOM 0 HH11 ARG A 27 21.580 17.368 22.354 1.00 0.00 H new ATOM 0 HH12 ARG A 27 22.918 16.293 21.936 1.00 0.00 H new ATOM 0 HH21 ARG A 27 24.759 18.657 20.290 1.00 0.00 H new ATOM 0 HH22 ARG A 27 24.616 16.982 20.833 1.00 0.00 H new ATOM 425 N GLU A 28 21.679 21.224 26.980 1.00 0.00 N ATOM 426 CA GLU A 28 22.146 20.635 28.241 1.00 0.00 C ATOM 427 C GLU A 28 21.899 21.608 29.410 1.00 0.00 C ATOM 428 O GLU A 28 21.151 21.280 30.331 1.00 0.00 O ATOM 429 CB GLU A 28 23.621 20.209 28.088 1.00 0.00 C ATOM 430 CG GLU A 28 24.133 19.244 29.175 1.00 0.00 C ATOM 431 CD GLU A 28 23.521 17.836 29.104 1.00 0.00 C ATOM 432 OE1 GLU A 28 23.321 17.291 27.989 1.00 0.00 O ATOM 433 OE2 GLU A 28 23.195 17.256 30.166 1.00 0.00 O ATOM 0 H GLU A 28 22.217 22.047 26.709 1.00 0.00 H new ATOM 0 HA GLU A 28 21.578 19.735 28.478 1.00 0.00 H new ATOM 0 HB2 GLU A 28 23.749 19.737 27.114 1.00 0.00 H new ATOM 0 HB3 GLU A 28 24.245 21.103 28.093 1.00 0.00 H new ATOM 0 HG2 GLU A 28 25.217 19.162 29.091 1.00 0.00 H new ATOM 0 HG3 GLU A 28 23.920 19.672 30.155 1.00 0.00 H new ATOM 440 N CYS A 29 22.426 22.838 29.353 1.00 0.00 N ATOM 441 CA CYS A 29 22.348 23.799 30.464 1.00 0.00 C ATOM 442 C CYS A 29 20.913 24.221 30.835 1.00 0.00 C ATOM 443 O CYS A 29 20.602 24.310 32.023 1.00 0.00 O ATOM 444 CB CYS A 29 23.229 25.014 30.136 1.00 0.00 C ATOM 445 SG CYS A 29 25.000 24.635 30.200 1.00 0.00 S ATOM 0 H CYS A 29 22.919 23.196 28.535 1.00 0.00 H new ATOM 0 HA CYS A 29 22.721 23.295 31.356 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.977 25.382 29.142 1.00 0.00 H new ATOM 0 HB3 CYS A 29 23.008 25.817 30.839 1.00 0.00 H new ATOM 450 N LYS A 30 20.014 24.407 29.854 1.00 0.00 N ATOM 451 CA LYS A 30 18.599 24.777 30.085 1.00 0.00 C ATOM 452 C LYS A 30 17.759 23.620 30.658 1.00 0.00 C ATOM 453 O LYS A 30 16.662 23.849 31.167 1.00 0.00 O ATOM 454 CB LYS A 30 18.039 25.335 28.762 1.00 0.00 C ATOM 455 CG LYS A 30 16.717 26.122 28.851 1.00 0.00 C ATOM 456 CD LYS A 30 16.407 26.728 27.468 1.00 0.00 C ATOM 457 CE LYS A 30 15.015 27.355 27.313 1.00 0.00 C ATOM 458 NZ LYS A 30 14.921 28.714 27.891 1.00 0.00 N ATOM 0 H LYS A 30 20.247 24.305 28.866 1.00 0.00 H new ATOM 0 HA LYS A 30 18.543 25.545 30.857 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.794 25.985 28.320 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.894 24.502 28.075 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.907 25.464 29.165 1.00 0.00 H new ATOM 0 HG3 LYS A 30 16.796 26.910 29.600 1.00 0.00 H new ATOM 0 HD2 LYS A 30 17.155 27.490 27.250 1.00 0.00 H new ATOM 0 HD3 LYS A 30 16.519 25.947 26.716 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.759 27.399 26.254 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.278 26.711 27.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.933 29.036 27.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.250 28.695 28.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.514 29.367 27.340 1.00 0.00 H new ATOM 472 N GLN A 31 18.281 22.386 30.615 1.00 0.00 N ATOM 473 CA GLN A 31 17.639 21.176 31.156 1.00 0.00 C ATOM 474 C GLN A 31 18.266 20.706 32.485 1.00 0.00 C ATOM 475 O GLN A 31 17.570 20.113 33.314 1.00 0.00 O ATOM 476 CB GLN A 31 17.672 20.044 30.108 1.00 0.00 C ATOM 477 CG GLN A 31 17.142 20.420 28.711 1.00 0.00 C ATOM 478 CD GLN A 31 15.763 21.077 28.732 1.00 0.00 C ATOM 479 OE1 GLN A 31 15.625 22.288 28.622 1.00 0.00 O ATOM 480 NE2 GLN A 31 14.690 20.339 28.886 1.00 0.00 N ATOM 0 H GLN A 31 19.189 22.195 30.190 1.00 0.00 H new ATOM 0 HA GLN A 31 16.604 21.436 31.378 1.00 0.00 H new ATOM 0 HB2 GLN A 31 18.700 19.696 30.006 1.00 0.00 H new ATOM 0 HB3 GLN A 31 17.088 19.205 30.486 1.00 0.00 H new ATOM 0 HG2 GLN A 31 17.850 21.098 28.234 1.00 0.00 H new ATOM 0 HG3 GLN A 31 17.097 19.521 28.096 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.776 19.327 28.980 1.00 0.00 H new ATOM 0 HE22 GLN A 31 13.769 20.777 28.912 1.00 0.00 H new ATOM 489 N GLN A 32 19.553 20.986 32.719 1.00 0.00 N ATOM 490 CA GLN A 32 20.269 20.685 33.969 1.00 0.00 C ATOM 491 C GLN A 32 20.100 21.765 35.050 1.00 0.00 C ATOM 492 O GLN A 32 20.038 21.432 36.233 1.00 0.00 O ATOM 493 CB GLN A 32 21.768 20.499 33.667 1.00 0.00 C ATOM 494 CG GLN A 32 22.087 19.176 32.950 1.00 0.00 C ATOM 495 CD GLN A 32 21.882 17.946 33.838 1.00 0.00 C ATOM 496 OE1 GLN A 32 22.164 17.939 35.033 1.00 0.00 O ATOM 497 NE2 GLN A 32 21.330 16.874 33.317 1.00 0.00 N ATOM 0 H GLN A 32 20.145 21.442 32.025 1.00 0.00 H new ATOM 0 HA GLN A 32 19.831 19.770 34.367 1.00 0.00 H new ATOM 0 HB2 GLN A 32 22.113 21.330 33.051 1.00 0.00 H new ATOM 0 HB3 GLN A 32 22.327 20.541 34.602 1.00 0.00 H new ATOM 0 HG2 GLN A 32 21.456 19.088 32.066 1.00 0.00 H new ATOM 0 HG3 GLN A 32 23.120 19.198 32.603 1.00 0.00 H new ATOM 0 HE21 GLN A 32 21.087 16.856 32.327 1.00 0.00 H new ATOM 0 HE22 GLN A 32 21.145 16.060 33.903 1.00 0.00 H new ATOM 506 N TYR A 33 20.033 23.045 34.667 1.00 0.00 N ATOM 507 CA TYR A 33 20.108 24.183 35.595 1.00 0.00 C ATOM 508 C TYR A 33 18.928 25.160 35.454 1.00 0.00 C ATOM 509 O TYR A 33 19.066 26.362 35.692 1.00 0.00 O ATOM 510 CB TYR A 33 21.497 24.841 35.476 1.00 0.00 C ATOM 511 CG TYR A 33 22.662 23.880 35.690 1.00 0.00 C ATOM 512 CD1 TYR A 33 22.731 23.116 36.872 1.00 0.00 C ATOM 513 CD2 TYR A 33 23.655 23.717 34.701 1.00 0.00 C ATOM 514 CE1 TYR A 33 23.758 22.172 37.052 1.00 0.00 C ATOM 515 CE2 TYR A 33 24.692 22.776 34.880 1.00 0.00 C ATOM 516 CZ TYR A 33 24.734 21.987 36.050 1.00 0.00 C ATOM 517 OH TYR A 33 25.697 21.039 36.218 1.00 0.00 O ATOM 0 H TYR A 33 19.924 23.325 33.692 1.00 0.00 H new ATOM 0 HA TYR A 33 20.002 23.816 36.616 1.00 0.00 H new ATOM 0 HB2 TYR A 33 21.590 25.293 34.488 1.00 0.00 H new ATOM 0 HB3 TYR A 33 21.568 25.649 36.204 1.00 0.00 H new ATOM 0 HD1 TYR A 33 21.990 23.256 37.645 1.00 0.00 H new ATOM 0 HD2 TYR A 33 23.622 24.315 33.802 1.00 0.00 H new ATOM 0 HE1 TYR A 33 23.800 21.587 37.959 1.00 0.00 H new ATOM 0 HE2 TYR A 33 25.453 22.660 34.122 1.00 0.00 H new ATOM 0 HH TYR A 33 26.227 20.962 35.397 1.00 0.00 H new ATOM 527 N GLY A 34 17.751 24.649 35.090 1.00 0.00 N ATOM 528 CA GLY A 34 16.498 25.398 34.996 1.00 0.00 C ATOM 529 C GLY A 34 16.280 26.171 33.690 1.00 0.00 C ATOM 530 O GLY A 34 17.212 26.577 32.989 1.00 0.00 O ATOM 0 H GLY A 34 17.641 23.665 34.843 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.670 24.702 35.127 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.455 26.104 35.826 1.00 0.00 H new ATOM 534 N LYS A 35 14.998 26.379 33.377 1.00 0.00 N ATOM 535 CA LYS A 35 14.494 26.938 32.114 1.00 0.00 C ATOM 536 C LYS A 35 14.944 28.366 31.781 1.00 0.00 C ATOM 537 O LYS A 35 14.908 28.718 30.607 1.00 0.00 O ATOM 538 CB LYS A 35 12.959 26.826 32.103 1.00 0.00 C ATOM 539 CG LYS A 35 12.288 27.683 33.193 1.00 0.00 C ATOM 540 CD LYS A 35 10.785 27.404 33.271 1.00 0.00 C ATOM 541 CE LYS A 35 10.181 28.186 34.441 1.00 0.00 C ATOM 542 NZ LYS A 35 8.710 28.064 34.469 1.00 0.00 N ATOM 0 H LYS A 35 14.245 26.152 34.027 1.00 0.00 H new ATOM 0 HA LYS A 35 14.945 26.341 31.321 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.584 27.131 31.126 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.675 25.783 32.242 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.750 27.475 34.158 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.454 28.739 32.982 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.302 27.694 32.338 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.609 26.337 33.403 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.596 27.818 35.379 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.459 29.237 34.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.332 28.605 35.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.314 28.438 33.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.447 27.063 34.571 1.00 0.00 H new ATOM 556 N SER A 36 15.383 29.182 32.739 1.00 0.00 N ATOM 557 CA SER A 36 15.876 30.551 32.489 1.00 0.00 C ATOM 558 C SER A 36 17.403 30.648 32.359 1.00 0.00 C ATOM 559 O SER A 36 17.936 31.748 32.194 1.00 0.00 O ATOM 560 CB SER A 36 15.333 31.520 33.542 1.00 0.00 C ATOM 561 OG SER A 36 13.949 31.724 33.323 1.00 0.00 O ATOM 0 H SER A 36 15.410 28.916 33.723 1.00 0.00 H new ATOM 0 HA SER A 36 15.490 30.843 31.512 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.499 31.119 34.542 1.00 0.00 H new ATOM 0 HB3 SER A 36 15.865 32.470 33.487 1.00 0.00 H new ATOM 0 HG SER A 36 13.599 32.343 33.997 1.00 0.00 H new ATOM 567 N SER A 37 18.114 29.519 32.384 1.00 0.00 N ATOM 568 CA SER A 37 19.559 29.459 32.130 1.00 0.00 C ATOM 569 C SER A 37 19.890 29.570 30.635 1.00 0.00 C ATOM 570 O SER A 37 19.120 29.131 29.775 1.00 0.00 O ATOM 571 CB SER A 37 20.132 28.186 32.751 1.00 0.00 C ATOM 572 OG SER A 37 20.039 28.314 34.161 1.00 0.00 O ATOM 0 H SER A 37 17.700 28.609 32.583 1.00 0.00 H new ATOM 0 HA SER A 37 20.030 30.321 32.602 1.00 0.00 H new ATOM 0 HB2 SER A 37 19.579 27.311 32.409 1.00 0.00 H new ATOM 0 HB3 SER A 37 21.169 28.046 32.447 1.00 0.00 H new ATOM 0 HG SER A 37 19.793 27.450 34.552 1.00 0.00 H new ATOM 578 N GLY A 38 21.038 30.175 30.321 1.00 0.00 N ATOM 579 CA GLY A 38 21.553 30.382 28.963 1.00 0.00 C ATOM 580 C GLY A 38 22.843 29.603 28.681 1.00 0.00 C ATOM 581 O GLY A 38 23.409 28.958 29.566 1.00 0.00 O ATOM 0 H GLY A 38 21.661 30.550 31.036 1.00 0.00 H new ATOM 0 HA2 GLY A 38 20.791 30.083 28.243 1.00 0.00 H new ATOM 0 HA3 GLY A 38 21.737 31.445 28.809 1.00 0.00 H new ATOM 585 N GLY A 39 23.321 29.661 27.435 1.00 0.00 N ATOM 586 CA GLY A 39 24.571 29.016 27.037 1.00 0.00 C ATOM 587 C GLY A 39 24.889 29.114 25.546 1.00 0.00 C ATOM 588 O GLY A 39 23.986 29.108 24.702 1.00 0.00 O ATOM 0 H GLY A 39 22.852 30.156 26.676 1.00 0.00 H new ATOM 0 HA2 GLY A 39 25.391 29.462 27.600 1.00 0.00 H new ATOM 0 HA3 GLY A 39 24.527 27.964 27.318 1.00 0.00 H new ATOM 592 N TYR A 40 26.184 29.213 25.236 1.00 0.00 N ATOM 593 CA TYR A 40 26.725 29.493 23.903 1.00 0.00 C ATOM 594 C TYR A 40 28.164 28.979 23.715 1.00 0.00 C ATOM 595 O TYR A 40 28.886 28.691 24.672 1.00 0.00 O ATOM 596 CB TYR A 40 26.633 31.001 23.596 1.00 0.00 C ATOM 597 CG TYR A 40 27.670 31.925 24.227 1.00 0.00 C ATOM 598 CD1 TYR A 40 27.925 31.910 25.616 1.00 0.00 C ATOM 599 CD2 TYR A 40 28.333 32.869 23.416 1.00 0.00 C ATOM 600 CE1 TYR A 40 28.810 32.844 26.186 1.00 0.00 C ATOM 601 CE2 TYR A 40 29.225 33.800 23.985 1.00 0.00 C ATOM 602 CZ TYR A 40 29.453 33.800 25.375 1.00 0.00 C ATOM 603 OH TYR A 40 30.252 34.744 25.937 1.00 0.00 O ATOM 0 H TYR A 40 26.916 29.095 25.937 1.00 0.00 H new ATOM 0 HA TYR A 40 26.111 28.943 23.189 1.00 0.00 H new ATOM 0 HB2 TYR A 40 26.689 31.126 22.515 1.00 0.00 H new ATOM 0 HB3 TYR A 40 25.646 31.345 23.906 1.00 0.00 H new ATOM 0 HD1 TYR A 40 27.438 31.178 26.244 1.00 0.00 H new ATOM 0 HD2 TYR A 40 28.156 32.879 22.351 1.00 0.00 H new ATOM 0 HE1 TYR A 40 28.997 32.828 27.250 1.00 0.00 H new ATOM 0 HE2 TYR A 40 29.734 34.514 23.355 1.00 0.00 H new ATOM 0 HH TYR A 40 31.191 34.496 25.809 1.00 0.00 H new ATOM 613 N CYS A 41 28.589 28.867 22.459 1.00 0.00 N ATOM 614 CA CYS A 41 29.900 28.377 22.046 1.00 0.00 C ATOM 615 C CYS A 41 30.938 29.515 22.052 1.00 0.00 C ATOM 616 O CYS A 41 31.330 30.027 21.001 1.00 0.00 O ATOM 617 CB CYS A 41 29.757 27.668 20.694 1.00 0.00 C ATOM 618 SG CYS A 41 28.542 26.319 20.694 1.00 0.00 S ATOM 0 H CYS A 41 28.002 29.127 21.666 1.00 0.00 H new ATOM 0 HA CYS A 41 30.280 27.644 22.758 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.471 28.401 19.939 1.00 0.00 H new ATOM 0 HB3 CYS A 41 30.728 27.269 20.400 1.00 0.00 H new ATOM 623 N TYR A 42 31.356 29.922 23.254 1.00 0.00 N ATOM 624 CA TYR A 42 32.161 31.119 23.546 1.00 0.00 C ATOM 625 C TYR A 42 33.545 31.134 22.870 1.00 0.00 C ATOM 626 O TYR A 42 33.995 32.189 22.416 1.00 0.00 O ATOM 627 CB TYR A 42 32.276 31.192 25.077 1.00 0.00 C ATOM 628 CG TYR A 42 33.246 32.199 25.675 1.00 0.00 C ATOM 629 CD1 TYR A 42 33.215 33.558 25.297 1.00 0.00 C ATOM 630 CD2 TYR A 42 34.140 31.775 26.677 1.00 0.00 C ATOM 631 CE1 TYR A 42 34.067 34.488 25.928 1.00 0.00 C ATOM 632 CE2 TYR A 42 34.983 32.701 27.316 1.00 0.00 C ATOM 633 CZ TYR A 42 34.946 34.061 26.949 1.00 0.00 C ATOM 634 OH TYR A 42 35.738 34.947 27.606 1.00 0.00 O ATOM 0 H TYR A 42 31.131 29.398 24.099 1.00 0.00 H new ATOM 0 HA TYR A 42 31.666 31.996 23.130 1.00 0.00 H new ATOM 0 HB2 TYR A 42 31.285 31.406 25.476 1.00 0.00 H new ATOM 0 HB3 TYR A 42 32.558 30.203 25.438 1.00 0.00 H new ATOM 0 HD1 TYR A 42 32.537 33.887 24.523 1.00 0.00 H new ATOM 0 HD2 TYR A 42 34.178 30.732 26.956 1.00 0.00 H new ATOM 0 HE1 TYR A 42 34.048 35.526 25.631 1.00 0.00 H new ATOM 0 HE2 TYR A 42 35.660 32.369 28.089 1.00 0.00 H new ATOM 0 HH TYR A 42 36.274 34.473 28.275 1.00 0.00 H new ATOM 644 N ALA A 43 34.201 29.974 22.763 1.00 0.00 N ATOM 645 CA ALA A 43 35.534 29.816 22.162 1.00 0.00 C ATOM 646 C ALA A 43 35.645 28.500 21.359 1.00 0.00 C ATOM 647 O ALA A 43 36.493 27.654 21.645 1.00 0.00 O ATOM 648 CB ALA A 43 36.579 29.936 23.284 1.00 0.00 C ATOM 0 H ALA A 43 33.811 29.094 23.100 1.00 0.00 H new ATOM 0 HA ALA A 43 35.717 30.603 21.431 1.00 0.00 H new ATOM 0 HB1 ALA A 43 37.578 29.822 22.864 1.00 0.00 H new ATOM 0 HB2 ALA A 43 36.494 30.914 23.758 1.00 0.00 H new ATOM 0 HB3 ALA A 43 36.407 29.157 24.027 1.00 0.00 H new ATOM 654 N PHE A 44 34.697 28.263 20.435 1.00 0.00 N ATOM 655 CA PHE A 44 34.417 26.939 19.830 1.00 0.00 C ATOM 656 C PHE A 44 34.194 25.824 20.882 1.00 0.00 C ATOM 657 O PHE A 44 34.428 24.636 20.634 1.00 0.00 O ATOM 658 CB PHE A 44 35.466 26.570 18.766 1.00 0.00 C ATOM 659 CG PHE A 44 35.584 27.529 17.597 1.00 0.00 C ATOM 660 CD1 PHE A 44 34.811 27.329 16.436 1.00 0.00 C ATOM 661 CD2 PHE A 44 36.498 28.597 17.649 1.00 0.00 C ATOM 662 CE1 PHE A 44 34.961 28.187 15.331 1.00 0.00 C ATOM 663 CE2 PHE A 44 36.645 29.457 16.546 1.00 0.00 C ATOM 664 CZ PHE A 44 35.884 29.246 15.383 1.00 0.00 C ATOM 0 H PHE A 44 34.089 28.999 20.077 1.00 0.00 H new ATOM 0 HA PHE A 44 33.463 27.026 19.310 1.00 0.00 H new ATOM 0 HB2 PHE A 44 36.439 26.497 19.252 1.00 0.00 H new ATOM 0 HB3 PHE A 44 35.229 25.580 18.377 1.00 0.00 H new ATOM 0 HD1 PHE A 44 34.102 26.515 16.394 1.00 0.00 H new ATOM 0 HD2 PHE A 44 37.089 28.757 18.539 1.00 0.00 H new ATOM 0 HE1 PHE A 44 34.367 28.032 14.443 1.00 0.00 H new ATOM 0 HE2 PHE A 44 37.343 30.280 16.592 1.00 0.00 H new ATOM 0 HZ PHE A 44 36.008 29.897 14.530 1.00 0.00 H new ATOM 674 N ALA A 45 33.744 26.231 22.074 1.00 0.00 N ATOM 675 CA ALA A 45 33.512 25.407 23.255 1.00 0.00 C ATOM 676 C ALA A 45 32.434 26.039 24.162 1.00 0.00 C ATOM 677 O ALA A 45 32.244 27.258 24.129 1.00 0.00 O ATOM 678 CB ALA A 45 34.839 25.235 24.006 1.00 0.00 C ATOM 0 H ALA A 45 33.519 27.211 22.246 1.00 0.00 H new ATOM 0 HA ALA A 45 33.142 24.428 22.952 1.00 0.00 H new ATOM 0 HB1 ALA A 45 34.679 24.620 24.892 1.00 0.00 H new ATOM 0 HB2 ALA A 45 35.566 24.750 23.354 1.00 0.00 H new ATOM 0 HB3 ALA A 45 35.217 26.212 24.306 1.00 0.00 H new ATOM 684 N CYS A 46 31.714 25.224 24.939 1.00 0.00 N ATOM 685 CA CYS A 46 30.466 25.605 25.611 1.00 0.00 C ATOM 686 C CYS A 46 30.619 26.307 26.971 1.00 0.00 C ATOM 687 O CYS A 46 31.057 25.691 27.943 1.00 0.00 O ATOM 688 CB CYS A 46 29.609 24.346 25.779 1.00 0.00 C ATOM 689 SG CYS A 46 28.710 23.857 24.293 1.00 0.00 S ATOM 0 H CYS A 46 31.988 24.259 25.123 1.00 0.00 H new ATOM 0 HA CYS A 46 29.999 26.353 24.970 1.00 0.00 H new ATOM 0 HB2 CYS A 46 30.252 23.522 26.089 1.00 0.00 H new ATOM 0 HB3 CYS A 46 28.894 24.512 26.584 1.00 0.00 H new ATOM 694 N TRP A 47 30.128 27.546 27.058 1.00 0.00 N ATOM 695 CA TRP A 47 29.993 28.358 28.278 1.00 0.00 C ATOM 696 C TRP A 47 28.508 28.608 28.591 1.00 0.00 C ATOM 697 O TRP A 47 27.722 28.830 27.666 1.00 0.00 O ATOM 698 CB TRP A 47 30.762 29.669 28.063 1.00 0.00 C ATOM 699 CG TRP A 47 30.834 30.636 29.209 1.00 0.00 C ATOM 700 CD1 TRP A 47 29.816 31.406 29.658 1.00 0.00 C ATOM 701 CD2 TRP A 47 31.994 31.010 30.023 1.00 0.00 C ATOM 702 NE1 TRP A 47 30.258 32.217 30.683 1.00 0.00 N ATOM 703 CE2 TRP A 47 31.591 32.015 30.953 1.00 0.00 C ATOM 704 CE3 TRP A 47 33.348 30.613 30.067 1.00 0.00 C ATOM 705 CZ2 TRP A 47 32.475 32.589 31.879 1.00 0.00 C ATOM 706 CZ3 TRP A 47 34.247 31.183 30.989 1.00 0.00 C ATOM 707 CH2 TRP A 47 33.813 32.162 31.902 1.00 0.00 C ATOM 0 H TRP A 47 29.793 28.042 26.232 1.00 0.00 H new ATOM 0 HA TRP A 47 30.412 27.836 29.138 1.00 0.00 H new ATOM 0 HB2 TRP A 47 31.782 29.415 27.775 1.00 0.00 H new ATOM 0 HB3 TRP A 47 30.311 30.187 27.216 1.00 0.00 H new ATOM 0 HD1 TRP A 47 28.808 31.388 29.272 1.00 0.00 H new ATOM 0 HE1 TRP A 47 29.668 32.885 31.180 1.00 0.00 H new ATOM 0 HE3 TRP A 47 33.701 29.858 29.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 32.131 33.349 32.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 35.279 30.866 30.995 1.00 0.00 H new ATOM 0 HH2 TRP A 47 34.505 32.583 32.617 1.00 0.00 H new ATOM 718 N CYS A 48 28.113 28.595 29.869 1.00 0.00 N ATOM 719 CA CYS A 48 26.717 28.755 30.310 1.00 0.00 C ATOM 720 C CYS A 48 26.516 29.866 31.357 1.00 0.00 C ATOM 721 O CYS A 48 27.432 30.228 32.100 1.00 0.00 O ATOM 722 CB CYS A 48 26.144 27.402 30.748 1.00 0.00 C ATOM 723 SG CYS A 48 25.934 26.238 29.371 1.00 0.00 S ATOM 0 H CYS A 48 28.765 28.471 30.643 1.00 0.00 H new ATOM 0 HA CYS A 48 26.144 29.103 29.450 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.804 26.959 31.493 1.00 0.00 H new ATOM 0 HB3 CYS A 48 25.180 27.562 31.231 1.00 0.00 H new ATOM 728 N THR A 49 25.309 30.439 31.364 1.00 0.00 N ATOM 729 CA THR A 49 24.996 31.765 31.932 1.00 0.00 C ATOM 730 C THR A 49 23.640 31.809 32.645 1.00 0.00 C ATOM 731 O THR A 49 22.794 30.932 32.464 1.00 0.00 O ATOM 732 CB THR A 49 24.993 32.839 30.825 1.00 0.00 C ATOM 733 OG1 THR A 49 24.076 32.493 29.811 1.00 0.00 O ATOM 734 CG2 THR A 49 26.356 33.001 30.153 1.00 0.00 C ATOM 0 H THR A 49 24.491 29.981 30.962 1.00 0.00 H new ATOM 0 HA THR A 49 25.775 31.965 32.668 1.00 0.00 H new ATOM 0 HB THR A 49 24.721 33.772 31.318 1.00 0.00 H new ATOM 0 HG1 THR A 49 24.082 33.183 29.115 1.00 0.00 H new ATOM 0 HG21 THR A 49 26.293 33.770 29.383 1.00 0.00 H new ATOM 0 HG22 THR A 49 27.096 33.293 30.898 1.00 0.00 H new ATOM 0 HG23 THR A 49 26.652 32.056 29.698 1.00 0.00 H new ATOM 742 N HIS A 50 23.412 32.862 33.440 1.00 0.00 N ATOM 743 CA HIS A 50 22.150 33.149 34.157 1.00 0.00 C ATOM 744 C HIS A 50 21.713 32.063 35.161 1.00 0.00 C ATOM 745 O HIS A 50 20.530 31.954 35.497 1.00 0.00 O ATOM 746 CB HIS A 50 21.043 33.535 33.157 1.00 0.00 C ATOM 747 CG HIS A 50 21.451 34.620 32.193 1.00 0.00 C ATOM 748 ND1 HIS A 50 21.701 35.949 32.540 1.00 0.00 N ATOM 749 CD2 HIS A 50 21.670 34.463 30.856 1.00 0.00 C ATOM 750 CE1 HIS A 50 22.044 36.565 31.396 1.00 0.00 C ATOM 751 NE2 HIS A 50 22.048 35.697 30.373 1.00 0.00 N ATOM 0 H HIS A 50 24.126 33.569 33.612 1.00 0.00 H new ATOM 0 HA HIS A 50 22.348 34.009 34.797 1.00 0.00 H new ATOM 0 HB2 HIS A 50 20.751 32.650 32.592 1.00 0.00 H new ATOM 0 HB3 HIS A 50 20.164 33.864 33.711 1.00 0.00 H new ATOM 0 HD2 HIS A 50 21.567 33.551 30.287 1.00 0.00 H new ATOM 0 HE1 HIS A 50 22.284 37.615 31.312 1.00 0.00 H new ATOM 0 HE2 HIS A 50 22.289 35.913 29.406 1.00 0.00 H new ATOM 759 N LEU A 51 22.663 31.264 35.648 1.00 0.00 N ATOM 760 CA LEU A 51 22.432 30.063 36.455 1.00 0.00 C ATOM 761 C LEU A 51 21.947 30.395 37.880 1.00 0.00 C ATOM 762 O LEU A 51 22.323 31.424 38.450 1.00 0.00 O ATOM 763 CB LEU A 51 23.730 29.230 36.510 1.00 0.00 C ATOM 764 CG LEU A 51 24.424 28.926 35.166 1.00 0.00 C ATOM 765 CD1 LEU A 51 25.685 28.101 35.400 1.00 0.00 C ATOM 766 CD2 LEU A 51 23.528 28.140 34.215 1.00 0.00 C ATOM 0 H LEU A 51 23.654 31.442 35.485 1.00 0.00 H new ATOM 0 HA LEU A 51 21.638 29.488 35.980 1.00 0.00 H new ATOM 0 HB2 LEU A 51 24.442 29.754 37.148 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.503 28.281 36.997 1.00 0.00 H new ATOM 0 HG LEU A 51 24.660 29.890 34.716 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.166 27.893 34.444 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.371 28.658 36.038 1.00 0.00 H new ATOM 0 HD13 LEU A 51 25.420 27.162 35.885 1.00 0.00 H new ATOM 0 HD21 LEU A 51 24.062 27.952 33.284 1.00 0.00 H new ATOM 0 HD22 LEU A 51 23.254 27.190 34.675 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.626 28.715 34.006 1.00 0.00 H new ATOM 778 N TYR A 52 21.187 29.490 38.501 1.00 0.00 N ATOM 779 CA TYR A 52 20.856 29.581 39.931 1.00 0.00 C ATOM 780 C TYR A 52 22.056 29.195 40.825 1.00 0.00 C ATOM 781 O TYR A 52 23.013 28.550 40.386 1.00 0.00 O ATOM 782 CB TYR A 52 19.597 28.758 40.237 1.00 0.00 C ATOM 783 CG TYR A 52 18.956 29.076 41.578 1.00 0.00 C ATOM 784 CD1 TYR A 52 18.117 30.197 41.718 1.00 0.00 C ATOM 785 CD2 TYR A 52 19.226 28.272 42.699 1.00 0.00 C ATOM 786 CE1 TYR A 52 17.566 30.516 42.975 1.00 0.00 C ATOM 787 CE2 TYR A 52 18.684 28.586 43.961 1.00 0.00 C ATOM 788 CZ TYR A 52 17.855 29.718 44.104 1.00 0.00 C ATOM 789 OH TYR A 52 17.359 30.059 45.325 1.00 0.00 O ATOM 0 H TYR A 52 20.785 28.678 38.034 1.00 0.00 H new ATOM 0 HA TYR A 52 20.634 30.621 40.170 1.00 0.00 H new ATOM 0 HB2 TYR A 52 18.865 28.928 39.448 1.00 0.00 H new ATOM 0 HB3 TYR A 52 19.854 27.699 40.212 1.00 0.00 H new ATOM 0 HD1 TYR A 52 17.895 30.814 40.860 1.00 0.00 H new ATOM 0 HD2 TYR A 52 19.857 27.402 42.591 1.00 0.00 H new ATOM 0 HE1 TYR A 52 16.919 31.375 43.076 1.00 0.00 H new ATOM 0 HE2 TYR A 52 18.902 27.962 44.815 1.00 0.00 H new ATOM 0 HH TYR A 52 17.652 29.403 45.992 1.00 0.00 H new ATOM 799 N GLU A 53 22.012 29.567 42.104 1.00 0.00 N ATOM 800 CA GLU A 53 23.117 29.437 43.069 1.00 0.00 C ATOM 801 C GLU A 53 23.382 28.006 43.601 1.00 0.00 C ATOM 802 O GLU A 53 24.106 27.833 44.583 1.00 0.00 O ATOM 803 CB GLU A 53 22.951 30.484 44.188 1.00 0.00 C ATOM 804 CG GLU A 53 21.687 30.288 45.037 1.00 0.00 C ATOM 805 CD GLU A 53 21.580 31.362 46.120 1.00 0.00 C ATOM 806 OE1 GLU A 53 21.011 32.443 45.837 1.00 0.00 O ATOM 807 OE2 GLU A 53 22.059 31.137 47.262 1.00 0.00 O ATOM 0 H GLU A 53 21.178 29.983 42.517 1.00 0.00 H new ATOM 0 HA GLU A 53 24.033 29.645 42.517 1.00 0.00 H new ATOM 0 HB2 GLU A 53 23.824 30.448 44.839 1.00 0.00 H new ATOM 0 HB3 GLU A 53 22.927 31.478 43.742 1.00 0.00 H new ATOM 0 HG2 GLU A 53 20.806 30.324 44.397 1.00 0.00 H new ATOM 0 HG3 GLU A 53 21.705 29.301 45.499 1.00 0.00 H new ATOM 814 N GLN A 54 22.833 26.968 42.963 1.00 0.00 N ATOM 815 CA GLN A 54 23.209 25.555 43.170 1.00 0.00 C ATOM 816 C GLN A 54 23.473 24.787 41.853 1.00 0.00 C ATOM 817 O GLN A 54 23.511 23.554 41.835 1.00 0.00 O ATOM 818 CB GLN A 54 22.255 24.840 44.155 1.00 0.00 C ATOM 819 CG GLN A 54 20.746 25.112 44.043 1.00 0.00 C ATOM 820 CD GLN A 54 20.113 24.779 42.690 1.00 0.00 C ATOM 821 OE1 GLN A 54 20.580 25.169 41.628 1.00 0.00 O ATOM 822 NE2 GLN A 54 18.983 24.113 42.671 1.00 0.00 N ATOM 0 H GLN A 54 22.095 27.084 42.269 1.00 0.00 H new ATOM 0 HA GLN A 54 24.182 25.558 43.662 1.00 0.00 H new ATOM 0 HB2 GLN A 54 22.407 23.766 44.044 1.00 0.00 H new ATOM 0 HB3 GLN A 54 22.565 25.103 45.166 1.00 0.00 H new ATOM 0 HG2 GLN A 54 20.233 24.538 44.815 1.00 0.00 H new ATOM 0 HG3 GLN A 54 20.568 26.166 44.258 1.00 0.00 H new ATOM 0 HE21 GLN A 54 18.574 23.778 43.543 1.00 0.00 H new ATOM 0 HE22 GLN A 54 18.513 23.931 41.784 1.00 0.00 H new ATOM 831 N ALA A 55 23.712 25.511 40.755 1.00 0.00 N ATOM 832 CA ALA A 55 24.372 24.976 39.565 1.00 0.00 C ATOM 833 C ALA A 55 25.894 24.832 39.787 1.00 0.00 C ATOM 834 O ALA A 55 26.430 25.286 40.804 1.00 0.00 O ATOM 835 CB ALA A 55 24.052 25.904 38.390 1.00 0.00 C ATOM 0 H ALA A 55 23.450 26.493 40.669 1.00 0.00 H new ATOM 0 HA ALA A 55 24.002 23.974 39.348 1.00 0.00 H new ATOM 0 HB1 ALA A 55 24.533 25.527 37.487 1.00 0.00 H new ATOM 0 HB2 ALA A 55 22.973 25.940 38.238 1.00 0.00 H new ATOM 0 HB3 ALA A 55 24.421 26.906 38.607 1.00 0.00 H new ATOM 841 N VAL A 56 26.602 24.217 38.832 1.00 0.00 N ATOM 842 CA VAL A 56 28.066 24.081 38.849 1.00 0.00 C ATOM 843 C VAL A 56 28.693 24.341 37.471 1.00 0.00 C ATOM 844 O VAL A 56 28.157 23.930 36.441 1.00 0.00 O ATOM 845 CB VAL A 56 28.470 22.732 39.474 1.00 0.00 C ATOM 846 CG1 VAL A 56 27.938 21.504 38.726 1.00 0.00 C ATOM 847 CG2 VAL A 56 29.988 22.604 39.650 1.00 0.00 C ATOM 0 H VAL A 56 26.168 23.793 38.012 1.00 0.00 H new ATOM 0 HA VAL A 56 28.479 24.861 39.488 1.00 0.00 H new ATOM 0 HB VAL A 56 27.991 22.743 40.453 1.00 0.00 H new ATOM 0 HG11 VAL A 56 28.269 20.598 39.233 1.00 0.00 H new ATOM 0 HG12 VAL A 56 26.849 21.533 38.708 1.00 0.00 H new ATOM 0 HG13 VAL A 56 28.318 21.508 37.704 1.00 0.00 H new ATOM 0 HG21 VAL A 56 30.223 21.637 40.094 1.00 0.00 H new ATOM 0 HG22 VAL A 56 30.475 22.685 38.678 1.00 0.00 H new ATOM 0 HG23 VAL A 56 30.347 23.399 40.303 1.00 0.00 H new ATOM 857 N VAL A 57 29.830 25.043 37.452 1.00 0.00 N ATOM 858 CA VAL A 57 30.609 25.406 36.248 1.00 0.00 C ATOM 859 C VAL A 57 32.107 25.170 36.442 1.00 0.00 C ATOM 860 O VAL A 57 32.614 25.223 37.565 1.00 0.00 O ATOM 861 CB VAL A 57 30.375 26.873 35.825 1.00 0.00 C ATOM 862 CG1 VAL A 57 28.965 27.081 35.270 1.00 0.00 C ATOM 863 CG2 VAL A 57 30.613 27.880 36.957 1.00 0.00 C ATOM 0 H VAL A 57 30.258 25.393 38.309 1.00 0.00 H new ATOM 0 HA VAL A 57 30.250 24.751 35.454 1.00 0.00 H new ATOM 0 HB VAL A 57 31.113 27.062 35.046 1.00 0.00 H new ATOM 0 HG11 VAL A 57 28.837 28.125 34.983 1.00 0.00 H new ATOM 0 HG12 VAL A 57 28.820 26.444 34.397 1.00 0.00 H new ATOM 0 HG13 VAL A 57 28.232 26.822 36.034 1.00 0.00 H new ATOM 0 HG21 VAL A 57 30.431 28.890 36.590 1.00 0.00 H new ATOM 0 HG22 VAL A 57 29.935 27.666 37.783 1.00 0.00 H new ATOM 0 HG23 VAL A 57 31.643 27.801 37.304 1.00 0.00 H new ATOM 873 N TRP A 58 32.833 24.922 35.348 1.00 0.00 N ATOM 874 CA TRP A 58 34.288 24.748 35.346 1.00 0.00 C ATOM 875 C TRP A 58 35.008 25.976 34.750 1.00 0.00 C ATOM 876 O TRP A 58 34.651 26.399 33.648 1.00 0.00 O ATOM 877 CB TRP A 58 34.635 23.487 34.538 1.00 0.00 C ATOM 878 CG TRP A 58 34.547 22.162 35.245 1.00 0.00 C ATOM 879 CD1 TRP A 58 33.605 21.793 36.144 1.00 0.00 C ATOM 880 CD2 TRP A 58 35.437 21.006 35.119 1.00 0.00 C ATOM 881 NE1 TRP A 58 33.826 20.492 36.552 1.00 0.00 N ATOM 882 CE2 TRP A 58 34.932 19.952 35.936 1.00 0.00 C ATOM 883 CE3 TRP A 58 36.633 20.746 34.411 1.00 0.00 C ATOM 884 CZ2 TRP A 58 35.549 18.694 36.011 1.00 0.00 C ATOM 885 CZ3 TRP A 58 37.276 19.495 34.501 1.00 0.00 C ATOM 886 CH2 TRP A 58 36.726 18.462 35.281 1.00 0.00 C ATOM 0 H TRP A 58 32.417 24.835 34.421 1.00 0.00 H new ATOM 0 HA TRP A 58 34.628 24.641 36.376 1.00 0.00 H new ATOM 0 HB2 TRP A 58 33.974 23.450 33.672 1.00 0.00 H new ATOM 0 HB3 TRP A 58 35.651 23.599 34.159 1.00 0.00 H new ATOM 0 HD1 TRP A 58 32.799 22.423 36.491 1.00 0.00 H new ATOM 0 HE1 TRP A 58 33.243 19.994 37.225 1.00 0.00 H new ATOM 0 HE3 TRP A 58 37.061 21.519 33.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 35.123 17.913 36.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 38.199 19.328 33.966 1.00 0.00 H new ATOM 0 HH2 TRP A 58 37.206 17.495 35.318 1.00 0.00 H new ATOM 897 N PRO A 59 36.063 26.514 35.393 1.00 0.00 N ATOM 898 CA PRO A 59 37.059 27.341 34.712 1.00 0.00 C ATOM 899 C PRO A 59 37.972 26.447 33.853 1.00 0.00 C ATOM 900 O PRO A 59 38.563 25.482 34.354 1.00 0.00 O ATOM 901 CB PRO A 59 37.810 28.068 35.830 1.00 0.00 C ATOM 902 CG PRO A 59 37.724 27.095 37.006 1.00 0.00 C ATOM 903 CD PRO A 59 36.377 26.398 36.811 1.00 0.00 C ATOM 0 HA PRO A 59 36.624 28.065 34.023 1.00 0.00 H new ATOM 0 HB2 PRO A 59 38.844 28.272 35.552 1.00 0.00 H new ATOM 0 HB3 PRO A 59 37.348 29.026 36.067 1.00 0.00 H new ATOM 0 HG2 PRO A 59 38.548 26.382 36.995 1.00 0.00 H new ATOM 0 HG3 PRO A 59 37.768 27.618 37.961 1.00 0.00 H new ATOM 0 HD2 PRO A 59 36.432 25.352 37.114 1.00 0.00 H new ATOM 0 HD3 PRO A 59 35.604 26.866 37.421 1.00 0.00 H new ATOM 911 N LEU A 60 38.065 26.723 32.548 1.00 0.00 N ATOM 912 CA LEU A 60 38.709 25.844 31.555 1.00 0.00 C ATOM 913 C LEU A 60 39.146 26.627 30.288 1.00 0.00 C ATOM 914 O LEU A 60 38.618 26.397 29.194 1.00 0.00 O ATOM 915 CB LEU A 60 37.727 24.681 31.265 1.00 0.00 C ATOM 916 CG LEU A 60 38.339 23.448 30.576 1.00 0.00 C ATOM 917 CD1 LEU A 60 39.391 22.748 31.443 1.00 0.00 C ATOM 918 CD2 LEU A 60 37.234 22.423 30.323 1.00 0.00 C ATOM 0 H LEU A 60 37.689 27.579 32.140 1.00 0.00 H new ATOM 0 HA LEU A 60 39.640 25.431 31.944 1.00 0.00 H new ATOM 0 HB2 LEU A 60 37.280 24.364 32.207 1.00 0.00 H new ATOM 0 HB3 LEU A 60 36.918 25.060 30.640 1.00 0.00 H new ATOM 0 HG LEU A 60 38.809 23.801 29.658 1.00 0.00 H new ATOM 0 HD11 LEU A 60 39.789 21.886 30.907 1.00 0.00 H new ATOM 0 HD12 LEU A 60 40.201 23.443 31.664 1.00 0.00 H new ATOM 0 HD13 LEU A 60 38.933 22.416 32.375 1.00 0.00 H new ATOM 0 HD21 LEU A 60 37.657 21.545 29.835 1.00 0.00 H new ATOM 0 HD22 LEU A 60 36.785 22.130 31.272 1.00 0.00 H new ATOM 0 HD23 LEU A 60 36.470 22.862 29.681 1.00 0.00 H new ATOM 930 N PRO A 61 40.076 27.595 30.409 1.00 0.00 N ATOM 931 CA PRO A 61 40.253 28.668 29.423 1.00 0.00 C ATOM 932 C PRO A 61 41.037 28.303 28.150 1.00 0.00 C ATOM 933 O PRO A 61 41.187 29.161 27.278 1.00 0.00 O ATOM 934 CB PRO A 61 40.942 29.796 30.203 1.00 0.00 C ATOM 935 CG PRO A 61 41.796 29.037 31.217 1.00 0.00 C ATOM 936 CD PRO A 61 40.891 27.864 31.590 1.00 0.00 C ATOM 0 HA PRO A 61 39.280 28.939 29.013 1.00 0.00 H new ATOM 0 HB2 PRO A 61 41.550 30.424 29.552 1.00 0.00 H new ATOM 0 HB3 PRO A 61 40.219 30.449 30.692 1.00 0.00 H new ATOM 0 HG2 PRO A 61 42.739 28.702 30.785 1.00 0.00 H new ATOM 0 HG3 PRO A 61 42.043 29.652 32.083 1.00 0.00 H new ATOM 0 HD2 PRO A 61 41.480 26.989 31.866 1.00 0.00 H new ATOM 0 HD3 PRO A 61 40.266 28.111 32.448 1.00 0.00 H new ATOM 944 N ASN A 62 41.576 27.083 28.022 1.00 0.00 N ATOM 945 CA ASN A 62 42.508 26.736 26.940 1.00 0.00 C ATOM 946 C ASN A 62 42.210 25.376 26.273 1.00 0.00 C ATOM 947 O ASN A 62 41.999 25.329 25.056 1.00 0.00 O ATOM 948 CB ASN A 62 43.936 26.824 27.521 1.00 0.00 C ATOM 949 CG ASN A 62 45.048 26.830 26.485 1.00 0.00 C ATOM 950 OD1 ASN A 62 44.857 27.082 25.301 1.00 0.00 O ATOM 951 ND2 ASN A 62 46.262 26.595 26.914 1.00 0.00 N ATOM 0 H ASN A 62 41.380 26.313 28.661 1.00 0.00 H new ATOM 0 HA ASN A 62 42.390 27.444 26.120 1.00 0.00 H new ATOM 0 HB2 ASN A 62 44.013 27.731 28.121 1.00 0.00 H new ATOM 0 HB3 ASN A 62 44.091 25.981 28.195 1.00 0.00 H new ATOM 0 HD21 ASN A 62 47.047 26.622 26.263 1.00 0.00 H new ATOM 0 HD22 ASN A 62 46.423 26.385 27.899 1.00 0.00 H new ATOM 958 N LYS A 63 42.165 24.283 27.046 1.00 0.00 N ATOM 959 CA LYS A 63 42.119 22.891 26.552 1.00 0.00 C ATOM 960 C LYS A 63 41.076 22.018 27.265 1.00 0.00 C ATOM 961 O LYS A 63 40.941 22.103 28.490 1.00 0.00 O ATOM 962 CB LYS A 63 43.535 22.285 26.652 1.00 0.00 C ATOM 963 CG LYS A 63 43.621 20.858 26.080 1.00 0.00 C ATOM 964 CD LYS A 63 45.048 20.295 26.027 1.00 0.00 C ATOM 965 CE LYS A 63 45.684 20.173 27.418 1.00 0.00 C ATOM 966 NZ LYS A 63 46.926 19.369 27.363 1.00 0.00 N ATOM 0 H LYS A 63 42.159 24.339 28.064 1.00 0.00 H new ATOM 0 HA LYS A 63 41.794 22.914 25.512 1.00 0.00 H new ATOM 0 HB2 LYS A 63 44.237 22.927 26.120 1.00 0.00 H new ATOM 0 HB3 LYS A 63 43.845 22.271 27.697 1.00 0.00 H new ATOM 0 HG2 LYS A 63 43.002 20.196 26.686 1.00 0.00 H new ATOM 0 HG3 LYS A 63 43.202 20.854 25.074 1.00 0.00 H new ATOM 0 HD2 LYS A 63 45.031 19.314 25.552 1.00 0.00 H new ATOM 0 HD3 LYS A 63 45.667 20.940 25.404 1.00 0.00 H new ATOM 0 HE2 LYS A 63 45.906 21.166 27.809 1.00 0.00 H new ATOM 0 HE3 LYS A 63 44.977 19.710 28.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 47.338 19.301 28.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 46.707 18.415 27.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 47.607 19.826 26.723 1.00 0.00 H new ATOM 980 N THR A 64 40.426 21.129 26.506 1.00 0.00 N ATOM 981 CA THR A 64 39.426 20.124 26.933 1.00 0.00 C ATOM 982 C THR A 64 39.794 19.354 28.213 1.00 0.00 C ATOM 983 O THR A 64 40.950 18.981 28.434 1.00 0.00 O ATOM 984 CB THR A 64 39.192 19.110 25.793 1.00 0.00 C ATOM 985 OG1 THR A 64 38.835 19.794 24.620 1.00 0.00 O ATOM 986 CG2 THR A 64 38.055 18.125 26.059 1.00 0.00 C ATOM 0 H THR A 64 40.592 21.084 25.501 1.00 0.00 H new ATOM 0 HA THR A 64 38.524 20.690 27.164 1.00 0.00 H new ATOM 0 HB THR A 64 40.128 18.558 25.708 1.00 0.00 H new ATOM 0 HG1 THR A 64 38.394 20.637 24.854 1.00 0.00 H new ATOM 0 HG21 THR A 64 37.955 17.447 25.211 1.00 0.00 H new ATOM 0 HG22 THR A 64 38.274 17.551 26.959 1.00 0.00 H new ATOM 0 HG23 THR A 64 37.123 18.673 26.197 1.00 0.00 H new ATOM 994 N CYS A 65 38.796 19.090 29.059 1.00 0.00 N ATOM 995 CA CYS A 65 38.894 18.390 30.348 1.00 0.00 C ATOM 996 C CYS A 65 39.085 16.860 30.232 1.00 0.00 C ATOM 997 O CYS A 65 38.626 16.238 29.273 1.00 0.00 O ATOM 998 CB CYS A 65 37.641 18.748 31.162 1.00 0.00 C ATOM 999 SG CYS A 65 36.078 18.764 30.229 1.00 0.00 S ATOM 0 H CYS A 65 37.839 19.375 28.853 1.00 0.00 H new ATOM 0 HA CYS A 65 39.800 18.725 30.852 1.00 0.00 H new ATOM 0 HB2 CYS A 65 37.547 18.037 31.983 1.00 0.00 H new ATOM 0 HB3 CYS A 65 37.788 19.732 31.608 1.00 0.00 H new ATOM 1004 N ASN A 66 39.738 16.243 31.225 1.00 0.00 N ATOM 1005 CA ASN A 66 40.075 14.809 31.267 1.00 0.00 C ATOM 1006 C ASN A 66 39.041 13.964 32.045 1.00 0.00 C ATOM 1007 O ASN A 66 38.375 14.431 32.973 1.00 0.00 O ATOM 1008 CB ASN A 66 41.487 14.629 31.864 1.00 0.00 C ATOM 1009 CG ASN A 66 42.629 15.120 30.992 1.00 0.00 C ATOM 1010 OD1 ASN A 66 42.491 15.396 29.806 1.00 0.00 O ATOM 1011 ND2 ASN A 66 43.819 15.196 31.536 1.00 0.00 N ATOM 0 H ASN A 66 40.059 16.745 32.053 1.00 0.00 H new ATOM 0 HA ASN A 66 40.055 14.440 30.241 1.00 0.00 H new ATOM 0 HB2 ASN A 66 41.529 15.154 32.818 1.00 0.00 H new ATOM 0 HB3 ASN A 66 41.642 13.571 32.075 1.00 0.00 H new ATOM 0 HD21 ASN A 66 44.620 15.483 30.973 1.00 0.00 H new ATOM 0 HD22 ASN A 66 43.944 14.968 32.522 1.00 0.00 H new