USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 402 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 12 THR OG1 : rot 134:sc= 2.55 USER MOD Set 1.2: A 25 LYS NZ :NH3+ -109:sc= -0.419! (180deg=-2.44!) USER MOD Single : A 3 SER OG : rot -9:sc= 0.816 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -1.15 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot -77:sc= -0.267 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.159 K(o=-0.16,f=-2.4!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00886) USER MOD Single : A 24 LYS NZ :NH3+ -158:sc= -0.0313 (180deg=-0.234) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0724 K(o=-0.072,f=-0.86) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.479 X(o=-0.48,f=-0.054) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 3 6.971 0.617 1.988 1.00 0.00 N ATOM 19 CA SER A 3 8.241 1.332 2.021 1.00 0.00 C ATOM 20 C SER A 3 8.977 1.073 3.333 1.00 0.00 C ATOM 21 O SER A 3 8.417 1.244 4.416 1.00 0.00 O ATOM 22 CB SER A 3 8.010 2.833 1.840 1.00 0.00 C ATOM 23 OG SER A 3 6.627 3.137 1.817 1.00 0.00 O ATOM 0 HA SER A 3 8.858 0.965 1.201 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.492 3.379 2.651 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.474 3.166 0.912 1.00 0.00 H new ATOM 0 HG SER A 3 6.110 2.306 1.774 1.00 0.00 H new ATOM 29 N LYS A 4 10.235 0.661 3.227 1.00 0.00 N ATOM 30 CA LYS A 4 11.050 0.380 4.402 1.00 0.00 C ATOM 31 C LYS A 4 12.463 -0.031 4.000 1.00 0.00 C ATOM 32 O LYS A 4 12.813 -0.012 2.819 1.00 0.00 O ATOM 33 CB LYS A 4 10.406 -0.726 5.242 1.00 0.00 C ATOM 34 CG LYS A 4 9.926 -1.911 4.422 1.00 0.00 C ATOM 35 CD LYS A 4 10.493 -3.219 4.947 1.00 0.00 C ATOM 36 CE LYS A 4 9.500 -3.933 5.853 1.00 0.00 C ATOM 37 NZ LYS A 4 8.842 -5.076 5.162 1.00 0.00 N ATOM 0 H LYS A 4 10.713 0.514 2.338 1.00 0.00 H new ATOM 0 HA LYS A 4 11.111 1.292 4.996 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.126 -1.075 5.982 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.562 -0.309 5.791 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.837 -1.951 4.442 1.00 0.00 H new ATOM 0 HG3 LYS A 4 10.221 -1.778 3.381 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.754 -3.866 4.109 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.413 -3.023 5.497 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.015 -4.294 6.743 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.741 -3.226 6.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.173 -5.536 5.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.329 -4.728 4.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.563 -5.763 4.864 1.00 0.00 H new ATOM 51 N LEU A 5 13.270 -0.402 4.987 1.00 0.00 N ATOM 52 CA LEU A 5 14.645 -0.820 4.735 1.00 0.00 C ATOM 53 C LEU A 5 14.775 -2.338 4.805 1.00 0.00 C ATOM 54 O LEU A 5 14.186 -2.983 5.672 1.00 0.00 O ATOM 55 CB LEU A 5 15.590 -0.169 5.747 1.00 0.00 C ATOM 56 CG LEU A 5 16.133 1.210 5.368 1.00 0.00 C ATOM 57 CD1 LEU A 5 16.354 2.056 6.612 1.00 0.00 C ATOM 58 CD2 LEU A 5 17.425 1.074 4.576 1.00 0.00 C ATOM 0 H LEU A 5 12.997 -0.422 5.969 1.00 0.00 H new ATOM 0 HA LEU A 5 14.918 -0.497 3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 5 15.066 -0.082 6.699 1.00 0.00 H new ATOM 0 HB3 LEU A 5 16.435 -0.838 5.908 1.00 0.00 H new ATOM 0 HG LEU A 5 15.396 1.711 4.740 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.740 3.033 6.323 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.408 2.181 7.140 1.00 0.00 H new ATOM 0 HD13 LEU A 5 17.072 1.561 7.266 1.00 0.00 H new ATOM 0 HD21 LEU A 5 17.797 2.064 4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 5 18.169 0.554 5.180 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.235 0.506 3.665 1.00 0.00 H new ATOM 70 N CYS A 6 15.552 -2.903 3.886 1.00 0.00 N ATOM 71 CA CYS A 6 15.761 -4.345 3.843 1.00 0.00 C ATOM 72 C CYS A 6 17.240 -4.684 4.000 1.00 0.00 C ATOM 73 O CYS A 6 18.103 -4.031 3.414 1.00 0.00 O ATOM 74 CB CYS A 6 15.232 -4.919 2.527 1.00 0.00 C ATOM 75 SG CYS A 6 13.414 -4.964 2.413 1.00 0.00 S ATOM 0 H CYS A 6 16.047 -2.383 3.161 1.00 0.00 H new ATOM 0 HA CYS A 6 15.213 -4.792 4.673 1.00 0.00 H new ATOM 0 HB2 CYS A 6 15.623 -4.325 1.701 1.00 0.00 H new ATOM 0 HB3 CYS A 6 15.618 -5.931 2.403 1.00 0.00 H new ATOM 80 N GLU A 7 17.525 -5.711 4.796 1.00 0.00 N ATOM 81 CA GLU A 7 18.899 -6.137 5.031 1.00 0.00 C ATOM 82 C GLU A 7 19.072 -7.619 4.713 1.00 0.00 C ATOM 83 O GLU A 7 18.217 -8.441 5.045 1.00 0.00 O ATOM 84 CB GLU A 7 19.300 -5.865 6.482 1.00 0.00 C ATOM 85 CG GLU A 7 20.531 -6.636 6.928 1.00 0.00 C ATOM 86 CD GLU A 7 20.184 -7.911 7.672 1.00 0.00 C ATOM 87 OE1 GLU A 7 19.304 -7.861 8.556 1.00 0.00 O ATOM 88 OE2 GLU A 7 20.793 -8.958 7.370 1.00 0.00 O ATOM 0 H GLU A 7 16.822 -6.263 5.288 1.00 0.00 H new ATOM 0 HA GLU A 7 19.548 -5.564 4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 7 19.486 -4.798 6.605 1.00 0.00 H new ATOM 0 HB3 GLU A 7 18.465 -6.121 7.135 1.00 0.00 H new ATOM 0 HG2 GLU A 7 21.136 -6.882 6.056 1.00 0.00 H new ATOM 0 HG3 GLU A 7 21.141 -6.000 7.570 1.00 0.00 H new ATOM 95 N LYS A 8 20.183 -7.954 4.066 1.00 0.00 N ATOM 96 CA LYS A 8 20.470 -9.337 3.702 1.00 0.00 C ATOM 97 C LYS A 8 21.537 -9.930 4.617 1.00 0.00 C ATOM 98 O LYS A 8 22.352 -9.205 5.189 1.00 0.00 O ATOM 99 CB LYS A 8 20.930 -9.418 2.245 1.00 0.00 C ATOM 100 CG LYS A 8 20.970 -10.834 1.697 1.00 0.00 C ATOM 101 CD LYS A 8 19.586 -11.460 1.669 1.00 0.00 C ATOM 102 CE LYS A 8 18.634 -10.668 0.787 1.00 0.00 C ATOM 103 NZ LYS A 8 17.672 -11.554 0.074 1.00 0.00 N ATOM 0 H LYS A 8 20.900 -7.286 3.783 1.00 0.00 H new ATOM 0 HA LYS A 8 19.553 -9.915 3.819 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.262 -8.817 1.628 1.00 0.00 H new ATOM 0 HB3 LYS A 8 21.923 -8.977 2.161 1.00 0.00 H new ATOM 0 HG2 LYS A 8 21.386 -10.824 0.690 1.00 0.00 H new ATOM 0 HG3 LYS A 8 21.634 -11.444 2.310 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.656 -12.484 1.303 1.00 0.00 H new ATOM 0 HD3 LYS A 8 19.188 -11.511 2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 8 18.084 -9.952 1.398 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.207 -10.093 0.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 17.040 -10.976 -0.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 18.195 -12.221 -0.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.108 -12.084 0.769 1.00 0.00 H new ATOM 117 N THR A 9 21.529 -11.252 4.749 1.00 0.00 N ATOM 118 CA THR A 9 22.496 -11.942 5.594 1.00 0.00 C ATOM 119 C THR A 9 23.366 -12.888 4.773 1.00 0.00 C ATOM 120 O THR A 9 23.738 -13.965 5.239 1.00 0.00 O ATOM 121 CB THR A 9 21.798 -12.743 6.709 1.00 0.00 C ATOM 122 OG1 THR A 9 20.450 -12.286 6.870 1.00 0.00 O ATOM 123 CG2 THR A 9 22.546 -12.603 8.026 1.00 0.00 C ATOM 0 H THR A 9 20.863 -11.867 4.281 1.00 0.00 H new ATOM 0 HA THR A 9 23.124 -11.175 6.047 1.00 0.00 H new ATOM 0 HB THR A 9 21.794 -13.794 6.422 1.00 0.00 H new ATOM 0 HG1 THR A 9 20.012 -12.801 7.580 1.00 0.00 H new ATOM 0 HG21 THR A 9 22.034 -13.177 8.798 1.00 0.00 H new ATOM 0 HG22 THR A 9 23.563 -12.978 7.909 1.00 0.00 H new ATOM 0 HG23 THR A 9 22.578 -11.553 8.316 1.00 0.00 H new ATOM 131 N SER A 10 23.687 -12.478 3.550 1.00 0.00 N ATOM 132 CA SER A 10 24.511 -13.291 2.664 1.00 0.00 C ATOM 133 C SER A 10 23.830 -14.621 2.357 1.00 0.00 C ATOM 134 O SER A 10 23.711 -15.487 3.224 1.00 0.00 O ATOM 135 CB SER A 10 25.883 -13.541 3.294 1.00 0.00 C ATOM 136 OG SER A 10 26.685 -14.360 2.462 1.00 0.00 O ATOM 0 H SER A 10 23.389 -11.588 3.151 1.00 0.00 H new ATOM 0 HA SER A 10 24.643 -12.746 1.729 1.00 0.00 H new ATOM 0 HB2 SER A 10 26.386 -12.590 3.467 1.00 0.00 H new ATOM 0 HB3 SER A 10 25.759 -14.017 4.267 1.00 0.00 H new ATOM 0 HG SER A 10 27.557 -14.503 2.886 1.00 0.00 H new ATOM 142 N LYS A 11 23.384 -14.777 1.115 1.00 0.00 N ATOM 143 CA LYS A 11 22.716 -16.002 0.690 1.00 0.00 C ATOM 144 C LYS A 11 23.335 -16.542 -0.595 1.00 0.00 C ATOM 145 O LYS A 11 22.964 -17.614 -1.073 1.00 0.00 O ATOM 146 CB LYS A 11 21.222 -15.744 0.479 1.00 0.00 C ATOM 147 CG LYS A 11 20.396 -15.883 1.746 1.00 0.00 C ATOM 148 CD LYS A 11 20.527 -14.658 2.635 1.00 0.00 C ATOM 149 CE LYS A 11 20.661 -15.044 4.100 1.00 0.00 C ATOM 150 NZ LYS A 11 19.448 -15.748 4.601 1.00 0.00 N ATOM 0 H LYS A 11 23.473 -14.070 0.385 1.00 0.00 H new ATOM 0 HA LYS A 11 22.844 -16.747 1.475 1.00 0.00 H new ATOM 0 HB2 LYS A 11 21.089 -14.740 0.077 1.00 0.00 H new ATOM 0 HB3 LYS A 11 20.844 -16.440 -0.270 1.00 0.00 H new ATOM 0 HG2 LYS A 11 19.349 -16.033 1.484 1.00 0.00 H new ATOM 0 HG3 LYS A 11 20.717 -16.768 2.295 1.00 0.00 H new ATOM 0 HD2 LYS A 11 21.397 -14.077 2.330 1.00 0.00 H new ATOM 0 HD3 LYS A 11 19.655 -14.018 2.505 1.00 0.00 H new ATOM 0 HE2 LYS A 11 21.532 -15.686 4.228 1.00 0.00 H new ATOM 0 HE3 LYS A 11 20.834 -14.149 4.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 19.579 -15.994 5.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 18.620 -15.126 4.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 19.297 -16.616 4.048 1.00 0.00 H new ATOM 164 N THR A 12 24.284 -15.793 -1.150 1.00 0.00 N ATOM 165 CA THR A 12 24.955 -16.197 -2.379 1.00 0.00 C ATOM 166 C THR A 12 26.411 -15.745 -2.384 1.00 0.00 C ATOM 167 O THR A 12 27.042 -15.664 -3.438 1.00 0.00 O ATOM 168 CB THR A 12 24.247 -15.624 -3.621 1.00 0.00 C ATOM 169 OG1 THR A 12 24.771 -14.327 -3.928 1.00 0.00 O ATOM 170 CG2 THR A 12 22.746 -15.530 -3.392 1.00 0.00 C ATOM 0 H THR A 12 24.605 -14.904 -0.767 1.00 0.00 H new ATOM 0 HA THR A 12 24.915 -17.286 -2.418 1.00 0.00 H new ATOM 0 HB THR A 12 24.429 -16.296 -4.459 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.956 -14.268 -4.889 1.00 0.00 H new ATOM 0 HG21 THR A 12 22.267 -15.123 -4.282 1.00 0.00 H new ATOM 0 HG22 THR A 12 22.346 -16.523 -3.187 1.00 0.00 H new ATOM 0 HG23 THR A 12 22.548 -14.877 -2.542 1.00 0.00 H new ATOM 178 N TYR A 13 26.939 -15.452 -1.201 1.00 0.00 N ATOM 179 CA TYR A 13 28.321 -15.006 -1.069 1.00 0.00 C ATOM 180 C TYR A 13 29.205 -16.124 -0.525 1.00 0.00 C ATOM 181 O TYR A 13 30.404 -15.938 -0.318 1.00 0.00 O ATOM 182 CB TYR A 13 28.400 -13.786 -0.151 1.00 0.00 C ATOM 183 CG TYR A 13 29.738 -13.083 -0.191 1.00 0.00 C ATOM 184 CD1 TYR A 13 30.261 -12.610 -1.389 1.00 0.00 C ATOM 185 CD2 TYR A 13 30.481 -12.893 0.968 1.00 0.00 C ATOM 186 CE1 TYR A 13 31.483 -11.968 -1.431 1.00 0.00 C ATOM 187 CE2 TYR A 13 31.703 -12.251 0.935 1.00 0.00 C ATOM 188 CZ TYR A 13 32.201 -11.791 -0.266 1.00 0.00 C ATOM 189 OH TYR A 13 33.419 -11.152 -0.303 1.00 0.00 O ATOM 0 H TYR A 13 26.431 -15.515 -0.319 1.00 0.00 H new ATOM 0 HA TYR A 13 28.683 -14.731 -2.060 1.00 0.00 H new ATOM 0 HB2 TYR A 13 27.619 -13.079 -0.432 1.00 0.00 H new ATOM 0 HB3 TYR A 13 28.194 -14.098 0.873 1.00 0.00 H new ATOM 0 HD1 TYR A 13 29.702 -12.747 -2.303 1.00 0.00 H new ATOM 0 HD2 TYR A 13 30.096 -13.254 1.910 1.00 0.00 H new ATOM 0 HE1 TYR A 13 31.874 -11.606 -2.370 1.00 0.00 H new ATOM 0 HE2 TYR A 13 32.266 -12.110 1.846 1.00 0.00 H new ATOM 0 HH TYR A 13 34.100 -11.766 -0.649 1.00 0.00 H new ATOM 199 N SER A 14 28.603 -17.287 -0.296 1.00 0.00 N ATOM 200 CA SER A 14 29.333 -18.436 0.227 1.00 0.00 C ATOM 201 C SER A 14 30.654 -18.623 -0.512 1.00 0.00 C ATOM 202 O SER A 14 30.680 -19.082 -1.653 1.00 0.00 O ATOM 203 CB SER A 14 28.485 -19.704 0.108 1.00 0.00 C ATOM 204 OG SER A 14 28.585 -20.497 1.278 1.00 0.00 O ATOM 0 H SER A 14 27.612 -17.458 -0.464 1.00 0.00 H new ATOM 0 HA SER A 14 29.549 -18.249 1.279 1.00 0.00 H new ATOM 0 HB2 SER A 14 27.443 -19.433 -0.064 1.00 0.00 H new ATOM 0 HB3 SER A 14 28.811 -20.283 -0.756 1.00 0.00 H new ATOM 0 HG SER A 14 28.033 -21.300 1.177 1.00 0.00 H new ATOM 210 N GLY A 15 31.751 -18.262 0.148 1.00 0.00 N ATOM 211 CA GLY A 15 33.061 -18.397 -0.462 1.00 0.00 C ATOM 212 C GLY A 15 34.186 -18.222 0.539 1.00 0.00 C ATOM 213 O GLY A 15 34.227 -18.903 1.564 1.00 0.00 O ATOM 0 H GLY A 15 31.756 -17.879 1.093 1.00 0.00 H new ATOM 0 HA2 GLY A 15 33.142 -19.379 -0.928 1.00 0.00 H new ATOM 0 HA3 GLY A 15 33.167 -17.658 -1.256 1.00 0.00 H new ATOM 217 N LYS A 16 35.104 -17.309 0.240 1.00 0.00 N ATOM 218 CA LYS A 16 36.237 -17.046 1.121 1.00 0.00 C ATOM 219 C LYS A 16 35.978 -15.818 1.988 1.00 0.00 C ATOM 220 O LYS A 16 36.750 -15.515 2.899 1.00 0.00 O ATOM 221 CB LYS A 16 37.511 -16.844 0.299 1.00 0.00 C ATOM 222 CG LYS A 16 37.463 -15.627 -0.610 1.00 0.00 C ATOM 223 CD LYS A 16 38.695 -15.543 -1.495 1.00 0.00 C ATOM 224 CE LYS A 16 39.472 -14.259 -1.248 1.00 0.00 C ATOM 225 NZ LYS A 16 40.399 -14.386 -0.090 1.00 0.00 N ATOM 0 H LYS A 16 35.086 -16.739 -0.605 1.00 0.00 H new ATOM 0 HA LYS A 16 36.366 -17.909 1.774 1.00 0.00 H new ATOM 0 HB2 LYS A 16 38.359 -16.747 0.977 1.00 0.00 H new ATOM 0 HB3 LYS A 16 37.687 -17.733 -0.307 1.00 0.00 H new ATOM 0 HG2 LYS A 16 36.569 -15.672 -1.232 1.00 0.00 H new ATOM 0 HG3 LYS A 16 37.386 -14.723 -0.006 1.00 0.00 H new ATOM 0 HD2 LYS A 16 39.339 -16.402 -1.306 1.00 0.00 H new ATOM 0 HD3 LYS A 16 38.396 -15.593 -2.542 1.00 0.00 H new ATOM 0 HE2 LYS A 16 40.040 -14.001 -2.142 1.00 0.00 H new ATOM 0 HE3 LYS A 16 38.774 -13.441 -1.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 40.910 -13.490 0.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 39.854 -14.607 0.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 41.081 -15.149 -0.274 1.00 0.00 H new ATOM 239 N CYS A 17 34.887 -15.116 1.701 1.00 0.00 N ATOM 240 CA CYS A 17 34.526 -13.921 2.455 1.00 0.00 C ATOM 241 C CYS A 17 35.604 -12.849 2.324 1.00 0.00 C ATOM 242 O CYS A 17 36.696 -12.981 2.877 1.00 0.00 O ATOM 243 CB CYS A 17 34.313 -14.269 3.929 1.00 0.00 C ATOM 244 SG CYS A 17 34.141 -12.818 5.018 1.00 0.00 S ATOM 0 H CYS A 17 34.237 -15.354 0.952 1.00 0.00 H new ATOM 0 HA CYS A 17 33.596 -13.528 2.043 1.00 0.00 H new ATOM 0 HB2 CYS A 17 33.419 -14.886 4.020 1.00 0.00 H new ATOM 0 HB3 CYS A 17 35.153 -14.872 4.274 1.00 0.00 H new ATOM 249 N ASP A 18 35.288 -11.788 1.589 1.00 0.00 N ATOM 250 CA ASP A 18 36.228 -10.691 1.387 1.00 0.00 C ATOM 251 C ASP A 18 35.614 -9.363 1.816 1.00 0.00 C ATOM 252 O ASP A 18 34.552 -9.330 2.437 1.00 0.00 O ATOM 253 CB ASP A 18 36.654 -10.621 -0.081 1.00 0.00 C ATOM 254 CG ASP A 18 38.160 -10.580 -0.245 1.00 0.00 C ATOM 255 OD1 ASP A 18 38.853 -11.362 0.438 1.00 0.00 O ATOM 256 OD2 ASP A 18 38.647 -9.764 -1.057 1.00 0.00 O ATOM 0 H ASP A 18 34.389 -11.664 1.124 1.00 0.00 H new ATOM 0 HA ASP A 18 37.107 -10.879 2.004 1.00 0.00 H new ATOM 0 HB2 ASP A 18 36.257 -11.485 -0.613 1.00 0.00 H new ATOM 0 HB3 ASP A 18 36.217 -9.735 -0.541 1.00 0.00 H new ATOM 261 N ASN A 19 36.289 -8.268 1.480 1.00 0.00 N ATOM 262 CA ASN A 19 35.811 -6.936 1.832 1.00 0.00 C ATOM 263 C ASN A 19 35.008 -6.327 0.687 1.00 0.00 C ATOM 264 O ASN A 19 33.780 -6.255 0.744 1.00 0.00 O ATOM 265 CB ASN A 19 36.988 -6.026 2.186 1.00 0.00 C ATOM 266 CG ASN A 19 37.369 -6.115 3.651 1.00 0.00 C ATOM 267 OD1 ASN A 19 36.653 -6.714 4.454 1.00 0.00 O ATOM 268 ND2 ASN A 19 38.501 -5.519 4.005 1.00 0.00 N ATOM 0 H ASN A 19 37.169 -8.277 0.964 1.00 0.00 H new ATOM 0 HA ASN A 19 35.159 -7.028 2.701 1.00 0.00 H new ATOM 0 HB2 ASN A 19 37.848 -6.295 1.573 1.00 0.00 H new ATOM 0 HB3 ASN A 19 36.732 -4.995 1.942 1.00 0.00 H new ATOM 0 HD21 ASN A 19 38.809 -5.546 4.977 1.00 0.00 H new ATOM 0 HD22 ASN A 19 39.063 -5.034 3.305 1.00 0.00 H new ATOM 275 N LYS A 20 35.709 -5.889 -0.353 1.00 0.00 N ATOM 276 CA LYS A 20 35.064 -5.287 -1.513 1.00 0.00 C ATOM 277 C LYS A 20 34.145 -6.289 -2.205 1.00 0.00 C ATOM 278 O LYS A 20 33.052 -5.939 -2.653 1.00 0.00 O ATOM 279 CB LYS A 20 36.116 -4.777 -2.501 1.00 0.00 C ATOM 280 CG LYS A 20 35.592 -4.612 -3.917 1.00 0.00 C ATOM 281 CD LYS A 20 36.725 -4.440 -4.914 1.00 0.00 C ATOM 282 CE LYS A 20 36.210 -3.971 -6.267 1.00 0.00 C ATOM 283 NZ LYS A 20 37.323 -3.653 -7.204 1.00 0.00 N ATOM 0 H LYS A 20 36.726 -5.940 -0.416 1.00 0.00 H new ATOM 0 HA LYS A 20 34.462 -4.447 -1.167 1.00 0.00 H new ATOM 0 HB2 LYS A 20 36.497 -3.818 -2.150 1.00 0.00 H new ATOM 0 HB3 LYS A 20 36.957 -5.470 -2.512 1.00 0.00 H new ATOM 0 HG2 LYS A 20 34.996 -5.483 -4.189 1.00 0.00 H new ATOM 0 HG3 LYS A 20 34.931 -3.746 -3.963 1.00 0.00 H new ATOM 0 HD2 LYS A 20 37.445 -3.719 -4.527 1.00 0.00 H new ATOM 0 HD3 LYS A 20 37.254 -5.386 -5.033 1.00 0.00 H new ATOM 0 HE2 LYS A 20 35.578 -4.745 -6.703 1.00 0.00 H new ATOM 0 HE3 LYS A 20 35.586 -3.088 -6.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 36.931 -3.337 -8.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 37.912 -2.897 -6.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 37.904 -4.502 -7.353 1.00 0.00 H new ATOM 297 N LYS A 21 34.594 -7.536 -2.289 1.00 0.00 N ATOM 298 CA LYS A 21 33.812 -8.590 -2.924 1.00 0.00 C ATOM 299 C LYS A 21 32.440 -8.719 -2.270 1.00 0.00 C ATOM 300 O LYS A 21 31.427 -8.876 -2.953 1.00 0.00 O ATOM 301 CB LYS A 21 34.555 -9.926 -2.842 1.00 0.00 C ATOM 302 CG LYS A 21 35.855 -9.948 -3.626 1.00 0.00 C ATOM 303 CD LYS A 21 35.628 -9.614 -5.091 1.00 0.00 C ATOM 304 CE LYS A 21 35.869 -8.138 -5.370 1.00 0.00 C ATOM 305 NZ LYS A 21 36.962 -7.931 -6.359 1.00 0.00 N ATOM 0 H LYS A 21 35.496 -7.842 -1.925 1.00 0.00 H new ATOM 0 HA LYS A 21 33.672 -8.323 -3.971 1.00 0.00 H new ATOM 0 HB2 LYS A 21 34.767 -10.151 -1.797 1.00 0.00 H new ATOM 0 HB3 LYS A 21 33.904 -10.718 -3.212 1.00 0.00 H new ATOM 0 HG2 LYS A 21 36.554 -9.233 -3.193 1.00 0.00 H new ATOM 0 HG3 LYS A 21 36.314 -10.933 -3.543 1.00 0.00 H new ATOM 0 HD2 LYS A 21 36.294 -10.216 -5.710 1.00 0.00 H new ATOM 0 HD3 LYS A 21 34.608 -9.877 -5.371 1.00 0.00 H new ATOM 0 HE2 LYS A 21 34.951 -7.685 -5.744 1.00 0.00 H new ATOM 0 HE3 LYS A 21 36.120 -7.629 -4.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 37.061 -6.915 -6.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 37.855 -8.296 -5.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 36.735 -8.437 -7.239 1.00 0.00 H new ATOM 319 N CYS A 22 32.413 -8.650 -0.943 1.00 0.00 N ATOM 320 CA CYS A 22 31.166 -8.758 -0.196 1.00 0.00 C ATOM 321 C CYS A 22 30.180 -7.674 -0.624 1.00 0.00 C ATOM 322 O CYS A 22 29.015 -7.955 -0.903 1.00 0.00 O ATOM 323 CB CYS A 22 31.436 -8.653 1.306 1.00 0.00 C ATOM 324 SG CYS A 22 29.937 -8.739 2.338 1.00 0.00 S ATOM 0 H CYS A 22 33.242 -8.520 -0.363 1.00 0.00 H new ATOM 0 HA CYS A 22 30.725 -9.731 -0.412 1.00 0.00 H new ATOM 0 HB2 CYS A 22 32.113 -9.455 1.600 1.00 0.00 H new ATOM 0 HB3 CYS A 22 31.949 -7.713 1.507 1.00 0.00 H new ATOM 329 N ASP A 23 30.657 -6.435 -0.673 1.00 0.00 N ATOM 330 CA ASP A 23 29.820 -5.308 -1.068 1.00 0.00 C ATOM 331 C ASP A 23 29.402 -5.428 -2.530 1.00 0.00 C ATOM 332 O ASP A 23 28.215 -5.379 -2.854 1.00 0.00 O ATOM 333 CB ASP A 23 30.562 -3.990 -0.843 1.00 0.00 C ATOM 334 CG ASP A 23 29.654 -2.784 -0.979 1.00 0.00 C ATOM 335 OD1 ASP A 23 28.535 -2.817 -0.425 1.00 0.00 O ATOM 336 OD2 ASP A 23 30.062 -1.805 -1.639 1.00 0.00 O ATOM 0 H ASP A 23 31.619 -6.186 -0.444 1.00 0.00 H new ATOM 0 HA ASP A 23 28.922 -5.320 -0.450 1.00 0.00 H new ATOM 0 HB2 ASP A 23 31.010 -3.994 0.151 1.00 0.00 H new ATOM 0 HB3 ASP A 23 31.379 -3.909 -1.560 1.00 0.00 H new ATOM 341 N LYS A 24 30.384 -5.585 -3.410 1.00 0.00 N ATOM 342 CA LYS A 24 30.120 -5.712 -4.839 1.00 0.00 C ATOM 343 C LYS A 24 29.118 -6.830 -5.109 1.00 0.00 C ATOM 344 O LYS A 24 28.141 -6.640 -5.834 1.00 0.00 O ATOM 345 CB LYS A 24 31.421 -5.984 -5.597 1.00 0.00 C ATOM 346 CG LYS A 24 31.210 -6.358 -7.054 1.00 0.00 C ATOM 347 CD LYS A 24 32.531 -6.591 -7.767 1.00 0.00 C ATOM 348 CE LYS A 24 32.479 -7.834 -8.643 1.00 0.00 C ATOM 349 NZ LYS A 24 32.353 -9.078 -7.834 1.00 0.00 N ATOM 0 H LYS A 24 31.372 -5.627 -3.159 1.00 0.00 H new ATOM 0 HA LYS A 24 29.693 -4.772 -5.189 1.00 0.00 H new ATOM 0 HB2 LYS A 24 32.053 -5.098 -5.546 1.00 0.00 H new ATOM 0 HB3 LYS A 24 31.960 -6.789 -5.098 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.599 -7.259 -7.115 1.00 0.00 H new ATOM 0 HG3 LYS A 24 30.659 -5.564 -7.558 1.00 0.00 H new ATOM 0 HD2 LYS A 24 32.773 -5.723 -8.380 1.00 0.00 H new ATOM 0 HD3 LYS A 24 33.329 -6.695 -7.032 1.00 0.00 H new ATOM 0 HE2 LYS A 24 31.635 -7.760 -9.329 1.00 0.00 H new ATOM 0 HE3 LYS A 24 33.381 -7.887 -9.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 32.687 -9.890 -8.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 32.927 -8.991 -6.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 31.357 -9.223 -7.574 1.00 0.00 H new ATOM 363 N LYS A 25 29.366 -7.995 -4.521 1.00 0.00 N ATOM 364 CA LYS A 25 28.484 -9.143 -4.695 1.00 0.00 C ATOM 365 C LYS A 25 27.079 -8.833 -4.189 1.00 0.00 C ATOM 366 O LYS A 25 26.088 -9.299 -4.751 1.00 0.00 O ATOM 367 CB LYS A 25 29.046 -10.360 -3.958 1.00 0.00 C ATOM 368 CG LYS A 25 28.573 -11.688 -4.525 1.00 0.00 C ATOM 369 CD LYS A 25 27.148 -11.999 -4.100 1.00 0.00 C ATOM 370 CE LYS A 25 26.944 -11.756 -2.613 1.00 0.00 C ATOM 371 NZ LYS A 25 25.808 -12.552 -2.071 1.00 0.00 N ATOM 0 H LYS A 25 30.171 -8.169 -3.919 1.00 0.00 H new ATOM 0 HA LYS A 25 28.426 -9.366 -5.760 1.00 0.00 H new ATOM 0 HB2 LYS A 25 30.135 -10.326 -3.996 1.00 0.00 H new ATOM 0 HB3 LYS A 25 28.761 -10.301 -2.907 1.00 0.00 H new ATOM 0 HG2 LYS A 25 28.632 -11.662 -5.613 1.00 0.00 H new ATOM 0 HG3 LYS A 25 29.236 -12.485 -4.189 1.00 0.00 H new ATOM 0 HD2 LYS A 25 26.454 -11.380 -4.669 1.00 0.00 H new ATOM 0 HD3 LYS A 25 26.916 -13.038 -4.335 1.00 0.00 H new ATOM 0 HE2 LYS A 25 27.856 -12.012 -2.075 1.00 0.00 H new ATOM 0 HE3 LYS A 25 26.759 -10.696 -2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 25.015 -11.918 -1.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 25.505 -13.251 -2.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 26.110 -13.044 -1.206 1.00 0.00 H new ATOM 385 N CYS A 26 27.001 -8.041 -3.125 1.00 0.00 N ATOM 386 CA CYS A 26 25.717 -7.667 -2.543 1.00 0.00 C ATOM 387 C CYS A 26 24.911 -6.806 -3.511 1.00 0.00 C ATOM 388 O CYS A 26 23.715 -7.025 -3.703 1.00 0.00 O ATOM 389 CB CYS A 26 25.930 -6.913 -1.229 1.00 0.00 C ATOM 390 SG CYS A 26 26.147 -7.993 0.222 1.00 0.00 S ATOM 0 H CYS A 26 27.811 -7.646 -2.648 1.00 0.00 H new ATOM 0 HA CYS A 26 25.157 -8.580 -2.344 1.00 0.00 H new ATOM 0 HB2 CYS A 26 26.808 -6.274 -1.327 1.00 0.00 H new ATOM 0 HB3 CYS A 26 25.076 -6.258 -1.056 1.00 0.00 H new ATOM 395 N ILE A 27 25.575 -5.828 -4.117 1.00 0.00 N ATOM 396 CA ILE A 27 24.921 -4.936 -5.066 1.00 0.00 C ATOM 397 C ILE A 27 24.806 -5.584 -6.442 1.00 0.00 C ATOM 398 O ILE A 27 24.000 -5.165 -7.271 1.00 0.00 O ATOM 399 CB ILE A 27 25.680 -3.603 -5.201 1.00 0.00 C ATOM 400 CG1 ILE A 27 26.014 -3.039 -3.819 1.00 0.00 C ATOM 401 CG2 ILE A 27 24.859 -2.604 -6.003 1.00 0.00 C ATOM 402 CD1 ILE A 27 27.489 -2.773 -3.614 1.00 0.00 C ATOM 0 H ILE A 27 26.565 -5.633 -3.968 1.00 0.00 H new ATOM 0 HA ILE A 27 23.923 -4.739 -4.676 1.00 0.00 H new ATOM 0 HB ILE A 27 26.613 -3.786 -5.733 1.00 0.00 H new ATOM 0 HG12 ILE A 27 25.462 -2.111 -3.671 1.00 0.00 H new ATOM 0 HG13 ILE A 27 25.670 -3.739 -3.057 1.00 0.00 H new ATOM 0 HG21 ILE A 27 25.409 -1.667 -6.089 1.00 0.00 H new ATOM 0 HG22 ILE A 27 24.668 -3.006 -6.998 1.00 0.00 H new ATOM 0 HG23 ILE A 27 23.911 -2.423 -5.497 1.00 0.00 H new ATOM 0 HD11 ILE A 27 27.651 -2.374 -2.612 1.00 0.00 H new ATOM 0 HD12 ILE A 27 28.046 -3.703 -3.729 1.00 0.00 H new ATOM 0 HD13 ILE A 27 27.834 -2.050 -4.353 1.00 0.00 H new ATOM 414 N GLU A 28 25.619 -6.610 -6.676 1.00 0.00 N ATOM 415 CA GLU A 28 25.607 -7.318 -7.951 1.00 0.00 C ATOM 416 C GLU A 28 24.565 -8.432 -7.946 1.00 0.00 C ATOM 417 O GLU A 28 23.923 -8.700 -8.961 1.00 0.00 O ATOM 418 CB GLU A 28 26.991 -7.900 -8.249 1.00 0.00 C ATOM 419 CG GLU A 28 27.963 -6.890 -8.835 1.00 0.00 C ATOM 420 CD GLU A 28 28.211 -7.109 -10.314 1.00 0.00 C ATOM 421 OE1 GLU A 28 28.724 -8.189 -10.677 1.00 0.00 O ATOM 422 OE2 GLU A 28 27.891 -6.201 -11.110 1.00 0.00 O ATOM 0 H GLU A 28 26.293 -6.969 -6.000 1.00 0.00 H new ATOM 0 HA GLU A 28 25.345 -6.604 -8.731 1.00 0.00 H new ATOM 0 HB2 GLU A 28 27.412 -8.304 -7.328 1.00 0.00 H new ATOM 0 HB3 GLU A 28 26.884 -8.733 -8.943 1.00 0.00 H new ATOM 0 HG2 GLU A 28 27.572 -5.884 -8.681 1.00 0.00 H new ATOM 0 HG3 GLU A 28 28.910 -6.950 -8.299 1.00 0.00 H new ATOM 429 N TRP A 29 24.403 -9.077 -6.796 1.00 0.00 N ATOM 430 CA TRP A 29 23.439 -10.163 -6.659 1.00 0.00 C ATOM 431 C TRP A 29 22.188 -9.691 -5.924 1.00 0.00 C ATOM 432 O TRP A 29 21.068 -9.920 -6.379 1.00 0.00 O ATOM 433 CB TRP A 29 24.069 -11.340 -5.913 1.00 0.00 C ATOM 434 CG TRP A 29 25.082 -12.085 -6.728 1.00 0.00 C ATOM 435 CD1 TRP A 29 26.195 -11.566 -7.326 1.00 0.00 C ATOM 436 CD2 TRP A 29 25.074 -13.483 -7.037 1.00 0.00 C ATOM 437 NE1 TRP A 29 26.880 -12.557 -7.987 1.00 0.00 N ATOM 438 CE2 TRP A 29 26.213 -13.743 -7.824 1.00 0.00 C ATOM 439 CE3 TRP A 29 24.217 -14.541 -6.722 1.00 0.00 C ATOM 440 CZ2 TRP A 29 26.513 -15.016 -8.301 1.00 0.00 C ATOM 441 CZ3 TRP A 29 24.517 -15.804 -7.197 1.00 0.00 C ATOM 442 CH2 TRP A 29 25.657 -16.033 -7.979 1.00 0.00 C ATOM 0 H TRP A 29 24.926 -8.867 -5.946 1.00 0.00 H new ATOM 0 HA TRP A 29 23.150 -10.488 -7.659 1.00 0.00 H new ATOM 0 HB2 TRP A 29 24.544 -10.972 -5.004 1.00 0.00 H new ATOM 0 HB3 TRP A 29 23.282 -12.029 -5.606 1.00 0.00 H new ATOM 0 HD1 TRP A 29 26.493 -10.529 -7.285 1.00 0.00 H new ATOM 0 HE1 TRP A 29 27.744 -12.430 -8.513 1.00 0.00 H new ATOM 0 HE3 TRP A 29 23.337 -14.375 -6.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 27.391 -15.194 -8.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 23.861 -16.629 -6.961 1.00 0.00 H new ATOM 0 HH2 TRP A 29 25.864 -17.032 -8.334 1.00 0.00 H new ATOM 453 N GLU A 30 22.388 -9.032 -4.787 1.00 0.00 N ATOM 454 CA GLU A 30 21.275 -8.529 -3.991 1.00 0.00 C ATOM 455 C GLU A 30 20.970 -7.075 -4.340 1.00 0.00 C ATOM 456 O GLU A 30 20.048 -6.472 -3.789 1.00 0.00 O ATOM 457 CB GLU A 30 21.590 -8.651 -2.499 1.00 0.00 C ATOM 458 CG GLU A 30 22.220 -9.980 -2.117 1.00 0.00 C ATOM 459 CD GLU A 30 21.574 -11.157 -2.822 1.00 0.00 C ATOM 460 OE1 GLU A 30 20.327 -11.204 -2.877 1.00 0.00 O ATOM 461 OE2 GLU A 30 22.315 -12.030 -3.319 1.00 0.00 O ATOM 0 H GLU A 30 23.309 -8.834 -4.397 1.00 0.00 H new ATOM 0 HA GLU A 30 20.396 -9.132 -4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 30 22.263 -7.843 -2.211 1.00 0.00 H new ATOM 0 HB3 GLU A 30 20.670 -8.518 -1.930 1.00 0.00 H new ATOM 0 HG2 GLU A 30 23.283 -9.956 -2.358 1.00 0.00 H new ATOM 0 HG3 GLU A 30 22.140 -10.119 -1.039 1.00 0.00 H new ATOM 468 N LYS A 31 21.752 -6.516 -5.257 1.00 0.00 N ATOM 469 CA LYS A 31 21.567 -5.133 -5.681 1.00 0.00 C ATOM 470 C LYS A 31 21.313 -4.226 -4.482 1.00 0.00 C ATOM 471 O LYS A 31 20.515 -3.292 -4.556 1.00 0.00 O ATOM 472 CB LYS A 31 20.401 -5.032 -6.667 1.00 0.00 C ATOM 473 CG LYS A 31 20.592 -5.863 -7.924 1.00 0.00 C ATOM 474 CD LYS A 31 21.606 -5.229 -8.862 1.00 0.00 C ATOM 475 CE LYS A 31 22.476 -6.280 -9.534 1.00 0.00 C ATOM 476 NZ LYS A 31 22.338 -6.249 -11.016 1.00 0.00 N ATOM 0 H LYS A 31 22.521 -7.000 -5.721 1.00 0.00 H new ATOM 0 HA LYS A 31 22.482 -4.805 -6.175 1.00 0.00 H new ATOM 0 HB2 LYS A 31 19.486 -5.349 -6.168 1.00 0.00 H new ATOM 0 HB3 LYS A 31 20.265 -3.988 -6.949 1.00 0.00 H new ATOM 0 HG2 LYS A 31 20.923 -6.865 -7.652 1.00 0.00 H new ATOM 0 HG3 LYS A 31 19.637 -5.972 -8.438 1.00 0.00 H new ATOM 0 HD2 LYS A 31 21.086 -4.646 -9.622 1.00 0.00 H new ATOM 0 HD3 LYS A 31 22.236 -4.536 -8.304 1.00 0.00 H new ATOM 0 HE2 LYS A 31 23.519 -6.116 -9.263 1.00 0.00 H new ATOM 0 HE3 LYS A 31 22.203 -7.268 -9.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 22.947 -6.980 -11.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 21.348 -6.431 -11.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 22.623 -5.314 -11.372 1.00 0.00 H new ATOM 490 N ALA A 32 21.999 -4.505 -3.379 1.00 0.00 N ATOM 491 CA ALA A 32 21.851 -3.711 -2.165 1.00 0.00 C ATOM 492 C ALA A 32 22.626 -2.402 -2.267 1.00 0.00 C ATOM 493 O ALA A 32 23.087 -2.026 -3.344 1.00 0.00 O ATOM 494 CB ALA A 32 22.313 -4.508 -0.954 1.00 0.00 C ATOM 0 H ALA A 32 22.663 -5.275 -3.301 1.00 0.00 H new ATOM 0 HA ALA A 32 20.795 -3.469 -2.045 1.00 0.00 H new ATOM 0 HB1 ALA A 32 22.197 -3.903 -0.055 1.00 0.00 H new ATOM 0 HB2 ALA A 32 21.712 -5.413 -0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 32 23.362 -4.780 -1.076 1.00 0.00 H new ATOM 500 N GLN A 33 22.764 -1.712 -1.139 1.00 0.00 N ATOM 501 CA GLN A 33 23.482 -0.444 -1.103 1.00 0.00 C ATOM 502 C GLN A 33 24.866 -0.619 -0.488 1.00 0.00 C ATOM 503 O GLN A 33 25.864 -0.145 -1.032 1.00 0.00 O ATOM 504 CB GLN A 33 22.687 0.595 -0.311 1.00 0.00 C ATOM 505 CG GLN A 33 22.391 1.863 -1.096 1.00 0.00 C ATOM 506 CD GLN A 33 23.220 3.044 -0.630 1.00 0.00 C ATOM 507 OE1 GLN A 33 24.324 2.876 -0.112 1.00 0.00 O ATOM 508 NE2 GLN A 33 22.691 4.248 -0.814 1.00 0.00 N ATOM 0 H GLN A 33 22.388 -2.010 -0.239 1.00 0.00 H new ATOM 0 HA GLN A 33 23.602 -0.095 -2.129 1.00 0.00 H new ATOM 0 HB2 GLN A 33 21.746 0.150 0.013 1.00 0.00 H new ATOM 0 HB3 GLN A 33 23.243 0.857 0.589 1.00 0.00 H new ATOM 0 HG2 GLN A 33 22.583 1.684 -2.154 1.00 0.00 H new ATOM 0 HG3 GLN A 33 21.333 2.106 -1.001 1.00 0.00 H new ATOM 0 HE21 GLN A 33 21.772 4.341 -1.248 1.00 0.00 H new ATOM 0 HE22 GLN A 33 23.203 5.080 -0.522 1.00 0.00 H new ATOM 517 N HIS A 34 24.920 -1.304 0.651 1.00 0.00 N ATOM 518 CA HIS A 34 26.183 -1.542 1.341 1.00 0.00 C ATOM 519 C HIS A 34 26.244 -2.967 1.884 1.00 0.00 C ATOM 520 O HIS A 34 25.218 -3.565 2.203 1.00 0.00 O ATOM 521 CB HIS A 34 26.362 -0.541 2.482 1.00 0.00 C ATOM 522 CG HIS A 34 27.751 0.008 2.585 1.00 0.00 C ATOM 523 ND1 HIS A 34 28.083 1.293 2.212 1.00 0.00 N ATOM 524 CD2 HIS A 34 28.898 -0.562 3.024 1.00 0.00 C ATOM 525 CE1 HIS A 34 29.373 1.490 2.415 1.00 0.00 C ATOM 526 NE2 HIS A 34 29.891 0.379 2.908 1.00 0.00 N ATOM 0 H HIS A 34 24.104 -1.704 1.115 1.00 0.00 H new ATOM 0 HA HIS A 34 26.992 -1.410 0.623 1.00 0.00 H new ATOM 0 HB2 HIS A 34 25.663 0.284 2.343 1.00 0.00 H new ATOM 0 HB3 HIS A 34 26.101 -1.025 3.423 1.00 0.00 H new ATOM 0 HD2 HIS A 34 29.011 -1.570 3.396 1.00 0.00 H new ATOM 0 HE1 HIS A 34 29.912 2.403 2.213 1.00 0.00 H new ATOM 0 HE2 HIS A 34 30.870 0.243 3.161 1.00 0.00 H new ATOM 534 N GLY A 35 27.456 -3.505 1.985 1.00 0.00 N ATOM 535 CA GLY A 35 27.629 -4.855 2.489 1.00 0.00 C ATOM 536 C GLY A 35 28.927 -5.028 3.251 1.00 0.00 C ATOM 537 O GLY A 35 29.939 -4.412 2.915 1.00 0.00 O ATOM 0 H GLY A 35 28.321 -3.030 1.727 1.00 0.00 H new ATOM 0 HA2 GLY A 35 26.792 -5.106 3.141 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.605 -5.557 1.655 1.00 0.00 H new ATOM 541 N ALA A 36 28.899 -5.866 4.282 1.00 0.00 N ATOM 542 CA ALA A 36 30.083 -6.118 5.094 1.00 0.00 C ATOM 543 C ALA A 36 30.233 -7.604 5.400 1.00 0.00 C ATOM 544 O ALA A 36 29.265 -8.363 5.334 1.00 0.00 O ATOM 545 CB ALA A 36 30.019 -5.315 6.384 1.00 0.00 C ATOM 0 H ALA A 36 28.069 -6.382 4.575 1.00 0.00 H new ATOM 0 HA ALA A 36 30.957 -5.801 4.525 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.910 -5.513 6.980 1.00 0.00 H new ATOM 0 HB2 ALA A 36 29.969 -4.252 6.149 1.00 0.00 H new ATOM 0 HB3 ALA A 36 29.133 -5.604 6.949 1.00 0.00 H new ATOM 551 N CYS A 37 31.451 -8.015 5.735 1.00 0.00 N ATOM 552 CA CYS A 37 31.728 -9.411 6.051 1.00 0.00 C ATOM 553 C CYS A 37 32.275 -9.550 7.469 1.00 0.00 C ATOM 554 O CYS A 37 32.996 -8.678 7.956 1.00 0.00 O ATOM 555 CB CYS A 37 32.726 -9.994 5.049 1.00 0.00 C ATOM 556 SG CYS A 37 32.521 -11.780 4.749 1.00 0.00 S ATOM 0 H CYS A 37 32.263 -7.400 5.795 1.00 0.00 H new ATOM 0 HA CYS A 37 30.791 -9.965 5.986 1.00 0.00 H new ATOM 0 HB2 CYS A 37 32.626 -9.463 4.102 1.00 0.00 H new ATOM 0 HB3 CYS A 37 33.738 -9.811 5.411 1.00 0.00 H new ATOM 561 N HIS A 38 31.927 -10.652 8.127 1.00 0.00 N ATOM 562 CA HIS A 38 32.384 -10.906 9.488 1.00 0.00 C ATOM 563 C HIS A 38 32.556 -12.402 9.733 1.00 0.00 C ATOM 564 O HIS A 38 31.965 -13.228 9.038 1.00 0.00 O ATOM 565 CB HIS A 38 31.394 -10.322 10.498 1.00 0.00 C ATOM 566 CG HIS A 38 31.999 -10.050 11.841 1.00 0.00 C ATOM 567 ND1 HIS A 38 31.574 -10.671 12.997 1.00 0.00 N ATOM 568 CD2 HIS A 38 33.003 -9.220 12.208 1.00 0.00 C ATOM 569 CE1 HIS A 38 32.289 -10.232 14.017 1.00 0.00 C ATOM 570 NE2 HIS A 38 33.164 -9.352 13.565 1.00 0.00 N ATOM 0 H HIS A 38 31.330 -11.383 7.739 1.00 0.00 H new ATOM 0 HA HIS A 38 33.352 -10.421 9.617 1.00 0.00 H new ATOM 0 HB2 HIS A 38 30.985 -9.394 10.098 1.00 0.00 H new ATOM 0 HB3 HIS A 38 30.560 -11.013 10.618 1.00 0.00 H new ATOM 0 HD2 HIS A 38 33.572 -8.574 11.555 1.00 0.00 H new ATOM 0 HE1 HIS A 38 32.177 -10.540 15.046 1.00 0.00 H new ATOM 0 HE2 HIS A 38 33.848 -8.852 14.132 1.00 0.00 H new ATOM 578 N LYS A 39 33.370 -12.743 10.727 1.00 0.00 N ATOM 579 CA LYS A 39 33.621 -14.139 11.065 1.00 0.00 C ATOM 580 C LYS A 39 33.096 -14.464 12.460 1.00 0.00 C ATOM 581 O LYS A 39 33.376 -13.748 13.421 1.00 0.00 O ATOM 582 CB LYS A 39 35.119 -14.443 10.989 1.00 0.00 C ATOM 583 CG LYS A 39 35.944 -13.694 12.021 1.00 0.00 C ATOM 584 CD LYS A 39 36.358 -14.601 13.168 1.00 0.00 C ATOM 585 CE LYS A 39 36.308 -13.870 14.501 1.00 0.00 C ATOM 586 NZ LYS A 39 37.264 -14.448 15.486 1.00 0.00 N ATOM 0 H LYS A 39 33.867 -12.072 11.312 1.00 0.00 H new ATOM 0 HA LYS A 39 33.093 -14.762 10.343 1.00 0.00 H new ATOM 0 HB2 LYS A 39 35.271 -15.514 11.122 1.00 0.00 H new ATOM 0 HB3 LYS A 39 35.482 -14.191 9.993 1.00 0.00 H new ATOM 0 HG2 LYS A 39 36.832 -13.278 11.546 1.00 0.00 H new ATOM 0 HG3 LYS A 39 35.368 -12.854 12.409 1.00 0.00 H new ATOM 0 HD2 LYS A 39 35.700 -15.469 13.203 1.00 0.00 H new ATOM 0 HD3 LYS A 39 37.368 -14.973 12.993 1.00 0.00 H new ATOM 0 HE2 LYS A 39 36.539 -12.816 14.346 1.00 0.00 H new ATOM 0 HE3 LYS A 39 35.297 -13.919 14.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 37.200 -13.923 16.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 37.029 -15.447 15.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 38.232 -14.378 15.112 1.00 0.00 H new ATOM 600 N ARG A 40 32.335 -15.549 12.563 1.00 0.00 N ATOM 601 CA ARG A 40 31.772 -15.968 13.840 1.00 0.00 C ATOM 602 C ARG A 40 30.913 -17.218 13.672 1.00 0.00 C ATOM 603 O ARG A 40 30.734 -17.714 12.560 1.00 0.00 O ATOM 604 CB ARG A 40 30.936 -14.840 14.448 1.00 0.00 C ATOM 605 CG ARG A 40 31.304 -14.517 15.887 1.00 0.00 C ATOM 606 CD ARG A 40 32.072 -13.209 15.986 1.00 0.00 C ATOM 607 NE ARG A 40 32.072 -12.675 17.346 1.00 0.00 N ATOM 608 CZ ARG A 40 32.750 -13.220 18.349 1.00 0.00 C ATOM 609 NH1 ARG A 40 33.480 -14.309 18.147 1.00 0.00 N ATOM 610 NH2 ARG A 40 32.700 -12.676 19.558 1.00 0.00 N ATOM 0 H ARG A 40 32.095 -16.153 11.777 1.00 0.00 H new ATOM 0 HA ARG A 40 32.597 -16.203 14.512 1.00 0.00 H new ATOM 0 HB2 ARG A 40 31.056 -13.943 13.841 1.00 0.00 H new ATOM 0 HB3 ARG A 40 29.882 -15.116 14.404 1.00 0.00 H new ATOM 0 HG2 ARG A 40 30.398 -14.455 16.490 1.00 0.00 H new ATOM 0 HG3 ARG A 40 31.907 -15.326 16.300 1.00 0.00 H new ATOM 0 HD2 ARG A 40 33.100 -13.366 15.659 1.00 0.00 H new ATOM 0 HD3 ARG A 40 31.630 -12.477 15.309 1.00 0.00 H new ATOM 0 HE ARG A 40 31.521 -11.838 17.535 1.00 0.00 H new ATOM 0 HH11 ARG A 40 33.522 -14.730 17.219 1.00 0.00 H new ATOM 0 HH12 ARG A 40 34.000 -14.725 18.920 1.00 0.00 H new ATOM 0 HH21 ARG A 40 32.140 -11.838 19.718 1.00 0.00 H new ATOM 0 HH22 ARG A 40 33.221 -13.095 20.328 1.00 0.00 H new ATOM 624 N GLU A 41 30.385 -17.721 14.783 1.00 0.00 N ATOM 625 CA GLU A 41 29.546 -18.914 14.758 1.00 0.00 C ATOM 626 C GLU A 41 30.266 -20.071 14.071 1.00 0.00 C ATOM 627 O GLU A 41 30.216 -20.209 12.849 1.00 0.00 O ATOM 628 CB GLU A 41 28.227 -18.621 14.039 1.00 0.00 C ATOM 629 CG GLU A 41 27.363 -17.592 14.748 1.00 0.00 C ATOM 630 CD GLU A 41 26.308 -16.991 13.839 1.00 0.00 C ATOM 631 OE1 GLU A 41 26.597 -16.804 12.639 1.00 0.00 O ATOM 632 OE2 GLU A 41 25.195 -16.707 14.329 1.00 0.00 O ATOM 0 H GLU A 41 30.523 -17.322 15.711 1.00 0.00 H new ATOM 0 HA GLU A 41 29.335 -19.201 15.788 1.00 0.00 H new ATOM 0 HB2 GLU A 41 28.443 -18.269 13.030 1.00 0.00 H new ATOM 0 HB3 GLU A 41 27.664 -19.549 13.939 1.00 0.00 H new ATOM 0 HG2 GLU A 41 26.876 -18.059 15.604 1.00 0.00 H new ATOM 0 HG3 GLU A 41 27.998 -16.796 15.138 1.00 0.00 H new ATOM 639 N ALA A 42 30.936 -20.898 14.866 1.00 0.00 N ATOM 640 CA ALA A 42 31.666 -22.044 14.336 1.00 0.00 C ATOM 641 C ALA A 42 32.693 -21.607 13.297 1.00 0.00 C ATOM 642 O ALA A 42 33.108 -22.397 12.450 1.00 0.00 O ATOM 643 CB ALA A 42 30.699 -23.053 13.734 1.00 0.00 C ATOM 0 H ALA A 42 30.989 -20.796 15.880 1.00 0.00 H new ATOM 0 HA ALA A 42 32.200 -22.517 15.160 1.00 0.00 H new ATOM 0 HB1 ALA A 42 31.257 -23.903 13.342 1.00 0.00 H new ATOM 0 HB2 ALA A 42 30.007 -23.397 14.503 1.00 0.00 H new ATOM 0 HB3 ALA A 42 30.139 -22.583 12.925 1.00 0.00 H new ATOM 649 N GLY A 43 33.100 -20.343 13.368 1.00 0.00 N ATOM 650 CA GLY A 43 34.075 -19.824 12.427 1.00 0.00 C ATOM 651 C GLY A 43 33.492 -19.614 11.044 1.00 0.00 C ATOM 652 O GLY A 43 34.214 -19.633 10.047 1.00 0.00 O ATOM 0 H GLY A 43 32.772 -19.670 14.060 1.00 0.00 H new ATOM 0 HA2 GLY A 43 34.467 -18.878 12.800 1.00 0.00 H new ATOM 0 HA3 GLY A 43 34.916 -20.514 12.362 1.00 0.00 H new ATOM 656 N LYS A 44 32.179 -19.414 10.982 1.00 0.00 N ATOM 657 CA LYS A 44 31.497 -19.200 9.711 1.00 0.00 C ATOM 658 C LYS A 44 31.450 -17.716 9.362 1.00 0.00 C ATOM 659 O LYS A 44 31.091 -16.885 10.196 1.00 0.00 O ATOM 660 CB LYS A 44 30.077 -19.767 9.769 1.00 0.00 C ATOM 661 CG LYS A 44 30.029 -21.258 10.057 1.00 0.00 C ATOM 662 CD LYS A 44 28.601 -21.743 10.244 1.00 0.00 C ATOM 663 CE LYS A 44 28.448 -22.540 11.530 1.00 0.00 C ATOM 664 NZ LYS A 44 27.037 -22.957 11.760 1.00 0.00 N ATOM 0 H LYS A 44 31.566 -19.396 11.797 1.00 0.00 H new ATOM 0 HA LYS A 44 32.058 -19.720 8.934 1.00 0.00 H new ATOM 0 HB2 LYS A 44 29.515 -19.238 10.539 1.00 0.00 H new ATOM 0 HB3 LYS A 44 29.578 -19.572 8.820 1.00 0.00 H new ATOM 0 HG2 LYS A 44 30.495 -21.803 9.236 1.00 0.00 H new ATOM 0 HG3 LYS A 44 30.609 -21.475 10.954 1.00 0.00 H new ATOM 0 HD2 LYS A 44 27.925 -20.888 10.261 1.00 0.00 H new ATOM 0 HD3 LYS A 44 28.311 -22.362 9.395 1.00 0.00 H new ATOM 0 HE2 LYS A 44 29.085 -23.423 11.488 1.00 0.00 H new ATOM 0 HE3 LYS A 44 28.791 -21.939 12.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 26.975 -23.498 12.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 26.432 -22.114 11.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 26.717 -23.551 10.969 1.00 0.00 H new ATOM 678 N GLU A 45 31.812 -17.391 8.125 1.00 0.00 N ATOM 679 CA GLU A 45 31.809 -16.007 7.668 1.00 0.00 C ATOM 680 C GLU A 45 30.414 -15.586 7.213 1.00 0.00 C ATOM 681 O GLU A 45 29.798 -16.246 6.377 1.00 0.00 O ATOM 682 CB GLU A 45 32.808 -15.822 6.523 1.00 0.00 C ATOM 683 CG GLU A 45 34.253 -15.742 6.983 1.00 0.00 C ATOM 684 CD GLU A 45 34.706 -16.994 7.708 1.00 0.00 C ATOM 685 OE1 GLU A 45 35.190 -17.928 7.036 1.00 0.00 O ATOM 686 OE2 GLU A 45 34.575 -17.040 8.950 1.00 0.00 O ATOM 0 H GLU A 45 32.111 -18.067 7.422 1.00 0.00 H new ATOM 0 HA GLU A 45 32.105 -15.375 8.505 1.00 0.00 H new ATOM 0 HB2 GLU A 45 32.704 -16.651 5.824 1.00 0.00 H new ATOM 0 HB3 GLU A 45 32.558 -14.912 5.978 1.00 0.00 H new ATOM 0 HG2 GLU A 45 34.896 -15.574 6.119 1.00 0.00 H new ATOM 0 HG3 GLU A 45 34.373 -14.882 7.642 1.00 0.00 H new ATOM 693 N SER A 46 29.923 -14.485 7.772 1.00 0.00 N ATOM 694 CA SER A 46 28.600 -13.978 7.428 1.00 0.00 C ATOM 695 C SER A 46 28.688 -12.560 6.873 1.00 0.00 C ATOM 696 O SER A 46 29.352 -11.696 7.447 1.00 0.00 O ATOM 697 CB SER A 46 27.687 -14.001 8.656 1.00 0.00 C ATOM 698 OG SER A 46 28.444 -14.051 9.853 1.00 0.00 O ATOM 0 H SER A 46 30.421 -13.927 8.465 1.00 0.00 H new ATOM 0 HA SER A 46 28.179 -14.625 6.658 1.00 0.00 H new ATOM 0 HB2 SER A 46 27.054 -13.114 8.659 1.00 0.00 H new ATOM 0 HB3 SER A 46 27.025 -14.865 8.605 1.00 0.00 H new ATOM 0 HG SER A 46 27.838 -14.063 10.623 1.00 0.00 H new ATOM 704 N CYS A 47 28.015 -12.328 5.751 1.00 0.00 N ATOM 705 CA CYS A 47 28.016 -11.016 5.115 1.00 0.00 C ATOM 706 C CYS A 47 26.642 -10.360 5.218 1.00 0.00 C ATOM 707 O CYS A 47 25.643 -10.913 4.758 1.00 0.00 O ATOM 708 CB CYS A 47 28.427 -11.138 3.647 1.00 0.00 C ATOM 709 SG CYS A 47 30.081 -10.469 3.279 1.00 0.00 S ATOM 0 H CYS A 47 27.461 -13.032 5.263 1.00 0.00 H new ATOM 0 HA CYS A 47 28.738 -10.388 5.636 1.00 0.00 H new ATOM 0 HB2 CYS A 47 28.400 -12.189 3.359 1.00 0.00 H new ATOM 0 HB3 CYS A 47 27.692 -10.620 3.031 1.00 0.00 H new ATOM 714 N PHE A 48 26.600 -9.178 5.824 1.00 0.00 N ATOM 715 CA PHE A 48 25.349 -8.447 5.988 1.00 0.00 C ATOM 716 C PHE A 48 25.321 -7.210 5.096 1.00 0.00 C ATOM 717 O PHE A 48 26.281 -6.440 5.052 1.00 0.00 O ATOM 718 CB PHE A 48 25.160 -8.039 7.451 1.00 0.00 C ATOM 719 CG PHE A 48 26.421 -7.551 8.105 1.00 0.00 C ATOM 720 CD1 PHE A 48 27.305 -8.445 8.688 1.00 0.00 C ATOM 721 CD2 PHE A 48 26.723 -6.199 8.136 1.00 0.00 C ATOM 722 CE1 PHE A 48 28.466 -7.998 9.291 1.00 0.00 C ATOM 723 CE2 PHE A 48 27.882 -5.747 8.737 1.00 0.00 C ATOM 724 CZ PHE A 48 28.755 -6.648 9.314 1.00 0.00 C ATOM 0 H PHE A 48 27.418 -8.706 6.210 1.00 0.00 H new ATOM 0 HA PHE A 48 24.532 -9.105 5.693 1.00 0.00 H new ATOM 0 HB2 PHE A 48 24.405 -7.255 7.507 1.00 0.00 H new ATOM 0 HB3 PHE A 48 24.776 -8.892 8.011 1.00 0.00 H new ATOM 0 HD1 PHE A 48 27.085 -9.502 8.671 1.00 0.00 H new ATOM 0 HD2 PHE A 48 26.044 -5.490 7.685 1.00 0.00 H new ATOM 0 HE1 PHE A 48 29.146 -8.704 9.744 1.00 0.00 H new ATOM 0 HE2 PHE A 48 28.105 -4.690 8.756 1.00 0.00 H new ATOM 0 HZ PHE A 48 29.663 -6.297 9.783 1.00 0.00 H new ATOM 734 N CYS A 49 24.214 -7.026 4.384 1.00 0.00 N ATOM 735 CA CYS A 49 24.059 -5.884 3.491 1.00 0.00 C ATOM 736 C CYS A 49 22.779 -5.116 3.807 1.00 0.00 C ATOM 737 O CYS A 49 21.782 -5.699 4.234 1.00 0.00 O ATOM 738 CB CYS A 49 24.041 -6.349 2.033 1.00 0.00 C ATOM 739 SG CYS A 49 25.059 -7.825 1.711 1.00 0.00 S ATOM 0 H CYS A 49 23.410 -7.654 4.408 1.00 0.00 H new ATOM 0 HA CYS A 49 24.908 -5.218 3.643 1.00 0.00 H new ATOM 0 HB2 CYS A 49 23.012 -6.560 1.743 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.390 -5.534 1.399 1.00 0.00 H new ATOM 744 N TYR A 50 22.815 -3.805 3.595 1.00 0.00 N ATOM 745 CA TYR A 50 21.659 -2.956 3.859 1.00 0.00 C ATOM 746 C TYR A 50 21.251 -2.186 2.607 1.00 0.00 C ATOM 747 O TYR A 50 22.092 -1.603 1.921 1.00 0.00 O ATOM 748 CB TYR A 50 21.967 -1.979 4.995 1.00 0.00 C ATOM 749 CG TYR A 50 22.315 -2.659 6.300 1.00 0.00 C ATOM 750 CD1 TYR A 50 21.327 -2.985 7.221 1.00 0.00 C ATOM 751 CD2 TYR A 50 23.632 -2.972 6.613 1.00 0.00 C ATOM 752 CE1 TYR A 50 21.640 -3.605 8.415 1.00 0.00 C ATOM 753 CE2 TYR A 50 23.954 -3.594 7.804 1.00 0.00 C ATOM 754 CZ TYR A 50 22.955 -3.908 8.702 1.00 0.00 C ATOM 755 OH TYR A 50 23.272 -4.525 9.890 1.00 0.00 O ATOM 0 H TYR A 50 23.632 -3.307 3.241 1.00 0.00 H new ATOM 0 HA TYR A 50 20.829 -3.597 4.155 1.00 0.00 H new ATOM 0 HB2 TYR A 50 22.796 -1.338 4.697 1.00 0.00 H new ATOM 0 HB3 TYR A 50 21.104 -1.332 5.151 1.00 0.00 H new ATOM 0 HD1 TYR A 50 20.297 -2.750 6.999 1.00 0.00 H new ATOM 0 HD2 TYR A 50 24.417 -2.725 5.914 1.00 0.00 H new ATOM 0 HE1 TYR A 50 20.860 -3.851 9.120 1.00 0.00 H new ATOM 0 HE2 TYR A 50 24.982 -3.833 8.031 1.00 0.00 H new ATOM 0 HH TYR A 50 24.240 -4.669 9.936 1.00 0.00 H new ATOM 765 N PHE A 51 19.955 -2.188 2.315 1.00 0.00 N ATOM 766 CA PHE A 51 19.433 -1.490 1.146 1.00 0.00 C ATOM 767 C PHE A 51 17.990 -1.051 1.373 1.00 0.00 C ATOM 768 O PHE A 51 17.273 -1.636 2.185 1.00 0.00 O ATOM 769 CB PHE A 51 19.517 -2.388 -0.090 1.00 0.00 C ATOM 770 CG PHE A 51 18.692 -3.638 0.021 1.00 0.00 C ATOM 771 CD1 PHE A 51 19.124 -4.703 0.795 1.00 0.00 C ATOM 772 CD2 PHE A 51 17.485 -3.749 -0.650 1.00 0.00 C ATOM 773 CE1 PHE A 51 18.367 -5.855 0.900 1.00 0.00 C ATOM 774 CE2 PHE A 51 16.723 -4.898 -0.548 1.00 0.00 C ATOM 775 CZ PHE A 51 17.166 -5.953 0.226 1.00 0.00 C ATOM 0 H PHE A 51 19.246 -2.665 2.872 1.00 0.00 H new ATOM 0 HA PHE A 51 20.042 -0.601 0.983 1.00 0.00 H new ATOM 0 HB2 PHE A 51 19.190 -1.823 -0.963 1.00 0.00 H new ATOM 0 HB3 PHE A 51 20.558 -2.663 -0.260 1.00 0.00 H new ATOM 0 HD1 PHE A 51 20.064 -4.632 1.323 1.00 0.00 H new ATOM 0 HD2 PHE A 51 17.135 -2.929 -1.260 1.00 0.00 H new ATOM 0 HE1 PHE A 51 18.715 -6.677 1.508 1.00 0.00 H new ATOM 0 HE2 PHE A 51 15.782 -4.971 -1.073 1.00 0.00 H new ATOM 0 HZ PHE A 51 16.574 -6.853 0.304 1.00 0.00 H new ATOM 785 N ASP A 52 17.571 -0.018 0.650 1.00 0.00 N ATOM 786 CA ASP A 52 16.213 0.499 0.772 1.00 0.00 C ATOM 787 C ASP A 52 15.260 -0.253 -0.152 1.00 0.00 C ATOM 788 O ASP A 52 15.483 -0.331 -1.361 1.00 0.00 O ATOM 789 CB ASP A 52 16.183 1.994 0.448 1.00 0.00 C ATOM 790 CG ASP A 52 16.952 2.328 -0.815 1.00 0.00 C ATOM 791 OD1 ASP A 52 18.181 2.533 -0.726 1.00 0.00 O ATOM 792 OD2 ASP A 52 16.325 2.384 -1.893 1.00 0.00 O ATOM 0 H ASP A 52 18.152 0.477 -0.026 1.00 0.00 H new ATOM 0 HA ASP A 52 15.885 0.351 1.801 1.00 0.00 H new ATOM 0 HB2 ASP A 52 15.148 2.318 0.336 1.00 0.00 H new ATOM 0 HB3 ASP A 52 16.603 2.553 1.284 1.00 0.00 H new ATOM 797 N CYS A 53 14.199 -0.806 0.425 1.00 0.00 N ATOM 798 CA CYS A 53 13.212 -1.554 -0.346 1.00 0.00 C ATOM 799 C CYS A 53 11.865 -0.836 -0.346 1.00 0.00 C ATOM 800 O CYS A 53 11.542 -0.100 0.585 1.00 0.00 O ATOM 801 CB CYS A 53 13.051 -2.964 0.225 1.00 0.00 C ATOM 802 SG CYS A 53 12.730 -3.008 2.018 1.00 0.00 S ATOM 0 H CYS A 53 14.000 -0.751 1.424 1.00 0.00 H new ATOM 0 HA CYS A 53 13.567 -1.624 -1.374 1.00 0.00 H new ATOM 0 HB2 CYS A 53 12.231 -3.463 -0.292 1.00 0.00 H new ATOM 0 HB3 CYS A 53 13.955 -3.535 0.014 1.00 0.00 H new ATOM 807 N SER A 54 11.084 -1.057 -1.399 1.00 0.00 N ATOM 808 CA SER A 54 9.774 -0.430 -1.523 1.00 0.00 C ATOM 809 C SER A 54 9.879 1.084 -1.368 1.00 0.00 C ATOM 810 O SER A 54 8.944 1.740 -0.908 1.00 0.00 O ATOM 811 CB SER A 54 8.812 -0.996 -0.476 1.00 0.00 C ATOM 812 OG SER A 54 8.251 -2.222 -0.910 1.00 0.00 O ATOM 0 H SER A 54 11.336 -1.665 -2.178 1.00 0.00 H new ATOM 0 HA SER A 54 9.387 -0.650 -2.518 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.341 -1.147 0.465 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.016 -0.277 -0.282 1.00 0.00 H new ATOM 0 HG SER A 54 7.641 -2.564 -0.223 1.00 0.00 H new ATOM 818 N LYS A 55 11.026 1.634 -1.754 1.00 0.00 N ATOM 819 CA LYS A 55 11.256 3.070 -1.660 1.00 0.00 C ATOM 820 C LYS A 55 11.278 3.523 -0.204 1.00 0.00 C ATOM 821 O LYS A 55 10.367 4.212 0.256 1.00 0.00 O ATOM 822 CB LYS A 55 10.173 3.833 -2.426 1.00 0.00 C ATOM 823 CG LYS A 55 9.918 3.289 -3.821 1.00 0.00 C ATOM 824 CD LYS A 55 8.485 2.807 -3.978 1.00 0.00 C ATOM 825 CE LYS A 55 7.490 3.937 -3.763 1.00 0.00 C ATOM 826 NZ LYS A 55 6.676 4.198 -4.982 1.00 0.00 N ATOM 0 H LYS A 55 11.811 1.106 -2.135 1.00 0.00 H new ATOM 0 HA LYS A 55 12.227 3.287 -2.105 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.244 3.799 -1.856 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.463 4.881 -2.501 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.125 4.065 -4.558 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.604 2.466 -4.023 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.349 2.386 -4.974 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.289 2.007 -3.264 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.830 3.687 -2.932 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.025 4.844 -3.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.010 4.975 -4.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.303 4.462 -5.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.145 3.340 -5.235 1.00 0.00 H new