USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 435 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 22 ASN : amide:sc= -0.345 K(o=-2.5,f=-3.5!) USER MOD Set 1.2: A 25 ASN : amide:sc= -2.17 X(o=-2.5,f=-2.4) USER MOD Set 2.1: A 17 GLN : amide:sc= -3.11! C(o=-2.1!,f=-2.2!) USER MOD Set 2.2: A 41 TYR OH : rot 150:sc= 0.979 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.388 X(o=-0.39,f=0) USER MOD Single : A 11 TYR OH : rot 125:sc= -0.58 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= 1.19 (180deg=0.814) USER MOD Single : A 32 LYS NZ :NH3+ -162:sc= 0.959 (180deg=0.734) USER MOD Single : A 33 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.039) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -1.55 K(o=-1.6,f=-2.3) USER MOD Single : A 48 GLN : amide:sc= -1.55 K(o=-1.5,f=-5.4!) USER MOD Single : A 53 TYR OH : rot 53:sc= 0.318 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 1.007 2.804 -4.322 1.00 0.00 N ATOM 2 CA GLN A 1 1.611 1.835 -3.415 1.00 0.00 C ATOM 3 C GLN A 1 3.042 1.516 -3.835 1.00 0.00 C ATOM 4 O GLN A 1 3.297 1.155 -4.984 1.00 0.00 O ATOM 5 CB GLN A 1 0.780 0.552 -3.378 1.00 0.00 C ATOM 6 CG GLN A 1 0.376 0.129 -1.975 1.00 0.00 C ATOM 7 CD GLN A 1 -1.017 -0.466 -1.923 1.00 0.00 C ATOM 8 OE1 GLN A 1 -1.182 -1.677 -1.772 1.00 0.00 O ATOM 9 NE2 GLN A 1 -2.029 0.385 -2.047 1.00 0.00 N ATOM 0 H1 GLN A 1 0.034 3.006 -4.016 1.00 0.00 H new ATOM 0 H2 GLN A 1 1.563 3.683 -4.311 1.00 0.00 H new ATOM 0 H3 GLN A 1 0.993 2.415 -5.287 1.00 0.00 H new ATOM 0 HA GLN A 1 1.633 2.273 -2.417 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -0.118 0.694 -3.979 1.00 0.00 H new ATOM 0 HB3 GLN A 1 1.350 -0.253 -3.841 1.00 0.00 H new ATOM 0 HG2 GLN A 1 1.093 -0.601 -1.599 1.00 0.00 H new ATOM 0 HG3 GLN A 1 0.423 0.993 -1.312 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -1.846 1.381 -2.170 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -2.989 0.043 -2.019 1.00 0.00 H new ATOM 18 N ASP A 2 3.973 1.652 -2.897 1.00 0.00 N ATOM 19 CA ASP A 2 5.379 1.378 -3.169 1.00 0.00 C ATOM 20 C ASP A 2 6.053 0.742 -1.957 1.00 0.00 C ATOM 21 O ASP A 2 6.837 1.386 -1.260 1.00 0.00 O ATOM 22 CB ASP A 2 6.107 2.666 -3.555 1.00 0.00 C ATOM 23 CG ASP A 2 5.946 3.756 -2.514 1.00 0.00 C ATOM 24 OD1 ASP A 2 4.812 4.251 -2.342 1.00 0.00 O ATOM 25 OD2 ASP A 2 6.954 4.114 -1.870 1.00 0.00 O ATOM 0 H ASP A 2 3.779 1.951 -1.941 1.00 0.00 H new ATOM 0 HA ASP A 2 5.432 0.677 -4.002 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.167 2.453 -3.693 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.726 3.022 -4.512 1.00 0.00 H new ATOM 30 N LYS A 3 5.742 -0.526 -1.711 1.00 0.00 N ATOM 31 CA LYS A 3 6.318 -1.251 -0.584 1.00 0.00 C ATOM 32 C LYS A 3 7.258 -2.350 -1.067 1.00 0.00 C ATOM 33 O LYS A 3 8.148 -2.786 -0.335 1.00 0.00 O ATOM 34 CB LYS A 3 5.208 -1.857 0.279 1.00 0.00 C ATOM 35 CG LYS A 3 5.719 -2.816 1.340 1.00 0.00 C ATOM 36 CD LYS A 3 5.003 -2.614 2.665 1.00 0.00 C ATOM 37 CE LYS A 3 5.198 -3.805 3.591 1.00 0.00 C ATOM 38 NZ LYS A 3 4.635 -3.551 4.946 1.00 0.00 N ATOM 0 H LYS A 3 5.094 -1.073 -2.277 1.00 0.00 H new ATOM 0 HA LYS A 3 6.892 -0.544 0.016 1.00 0.00 H new ATOM 0 HB2 LYS A 3 4.656 -1.052 0.764 1.00 0.00 H new ATOM 0 HB3 LYS A 3 4.504 -2.383 -0.366 1.00 0.00 H new ATOM 0 HG2 LYS A 3 5.578 -3.843 1.002 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.790 -2.670 1.478 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.377 -1.711 3.148 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.939 -2.462 2.485 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.720 -4.684 3.158 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.261 -4.029 3.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.788 -4.386 5.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.108 -2.728 5.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.615 -3.362 4.868 1.00 0.00 H new ATOM 52 N CYS A 4 7.058 -2.793 -2.303 1.00 0.00 N ATOM 53 CA CYS A 4 7.889 -3.841 -2.885 1.00 0.00 C ATOM 54 C CYS A 4 8.676 -3.310 -4.079 1.00 0.00 C ATOM 55 O CYS A 4 8.156 -2.542 -4.889 1.00 0.00 O ATOM 56 CB CYS A 4 7.023 -5.026 -3.316 1.00 0.00 C ATOM 57 SG CYS A 4 5.526 -5.260 -2.306 1.00 0.00 S ATOM 0 H CYS A 4 6.327 -2.443 -2.922 1.00 0.00 H new ATOM 0 HA CYS A 4 8.596 -4.174 -2.126 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.728 -4.887 -4.356 1.00 0.00 H new ATOM 0 HB3 CYS A 4 7.623 -5.935 -3.273 1.00 0.00 H new ATOM 62 N LYS A 5 9.934 -3.725 -4.183 1.00 0.00 N ATOM 63 CA LYS A 5 10.795 -3.294 -5.278 1.00 0.00 C ATOM 64 C LYS A 5 12.049 -4.158 -5.357 1.00 0.00 C ATOM 65 O LYS A 5 12.326 -4.953 -4.458 1.00 0.00 O ATOM 66 CB LYS A 5 11.185 -1.825 -5.100 1.00 0.00 C ATOM 67 CG LYS A 5 12.221 -1.599 -4.013 1.00 0.00 C ATOM 68 CD LYS A 5 11.685 -0.699 -2.912 1.00 0.00 C ATOM 69 CE LYS A 5 12.735 0.299 -2.447 1.00 0.00 C ATOM 70 NZ LYS A 5 13.774 -0.345 -1.597 1.00 0.00 N ATOM 0 H LYS A 5 10.380 -4.360 -3.521 1.00 0.00 H new ATOM 0 HA LYS A 5 10.239 -3.406 -6.209 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.572 -1.444 -6.045 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.292 -1.246 -4.865 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.519 -2.557 -3.588 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.115 -1.151 -4.448 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.807 -0.163 -3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.361 -1.308 -2.068 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.209 0.758 -3.315 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.252 1.100 -1.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.471 0.368 -1.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.325 -0.761 -0.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.253 -1.092 -2.140 1.00 0.00 H new ATOM 84 N LYS A 6 12.806 -3.998 -6.437 1.00 0.00 N ATOM 85 CA LYS A 6 14.033 -4.761 -6.633 1.00 0.00 C ATOM 86 C LYS A 6 15.084 -3.925 -7.357 1.00 0.00 C ATOM 87 O LYS A 6 14.913 -3.569 -8.523 1.00 0.00 O ATOM 88 CB LYS A 6 13.743 -6.036 -7.428 1.00 0.00 C ATOM 89 CG LYS A 6 12.968 -7.080 -6.643 1.00 0.00 C ATOM 90 CD LYS A 6 13.001 -8.434 -7.331 1.00 0.00 C ATOM 91 CE LYS A 6 14.013 -9.365 -6.681 1.00 0.00 C ATOM 92 NZ LYS A 6 14.196 -10.618 -7.465 1.00 0.00 N ATOM 0 H LYS A 6 12.591 -3.346 -7.191 1.00 0.00 H new ATOM 0 HA LYS A 6 14.423 -5.033 -5.652 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.180 -5.775 -8.324 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.686 -6.470 -7.760 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.389 -7.170 -5.641 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.934 -6.755 -6.527 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.011 -8.887 -7.292 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.250 -8.302 -8.384 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.970 -8.852 -6.587 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.683 -9.613 -5.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.893 -11.226 -6.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.288 -11.120 -7.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.535 -10.384 -8.420 1.00 0.00 H new ATOM 106 N VAL A 7 16.172 -3.617 -6.659 1.00 0.00 N ATOM 107 CA VAL A 7 17.252 -2.825 -7.236 1.00 0.00 C ATOM 108 C VAL A 7 17.986 -3.606 -8.321 1.00 0.00 C ATOM 109 O VAL A 7 18.212 -4.809 -8.189 1.00 0.00 O ATOM 110 CB VAL A 7 18.263 -2.387 -6.161 1.00 0.00 C ATOM 111 CG1 VAL A 7 19.451 -1.683 -6.800 1.00 0.00 C ATOM 112 CG2 VAL A 7 17.591 -1.490 -5.132 1.00 0.00 C ATOM 0 H VAL A 7 16.329 -3.904 -5.693 1.00 0.00 H new ATOM 0 HA VAL A 7 16.795 -1.939 -7.676 1.00 0.00 H new ATOM 0 HB VAL A 7 18.631 -3.276 -5.649 1.00 0.00 H new ATOM 0 HG11 VAL A 7 20.155 -1.381 -6.025 1.00 0.00 H new ATOM 0 HG12 VAL A 7 19.946 -2.362 -7.495 1.00 0.00 H new ATOM 0 HG13 VAL A 7 19.105 -0.801 -7.339 1.00 0.00 H new ATOM 0 HG21 VAL A 7 18.320 -1.190 -4.380 1.00 0.00 H new ATOM 0 HG22 VAL A 7 17.194 -0.604 -5.626 1.00 0.00 H new ATOM 0 HG23 VAL A 7 16.777 -2.033 -4.652 1.00 0.00 H new ATOM 122 N TYR A 8 18.356 -2.913 -9.392 1.00 0.00 N ATOM 123 CA TYR A 8 19.063 -3.542 -10.502 1.00 0.00 C ATOM 124 C TYR A 8 20.483 -2.998 -10.620 1.00 0.00 C ATOM 125 O TYR A 8 20.765 -2.148 -11.464 1.00 0.00 O ATOM 126 CB TYR A 8 18.307 -3.313 -11.811 1.00 0.00 C ATOM 127 CG TYR A 8 18.749 -4.225 -12.933 1.00 0.00 C ATOM 128 CD1 TYR A 8 19.066 -5.556 -12.688 1.00 0.00 C ATOM 129 CD2 TYR A 8 18.850 -3.757 -14.237 1.00 0.00 C ATOM 130 CE1 TYR A 8 19.471 -6.393 -13.710 1.00 0.00 C ATOM 131 CE2 TYR A 8 19.253 -4.587 -15.265 1.00 0.00 C ATOM 132 CZ TYR A 8 19.562 -5.904 -14.997 1.00 0.00 C ATOM 133 OH TYR A 8 19.965 -6.734 -16.018 1.00 0.00 O ATOM 0 H TYR A 8 18.178 -1.916 -9.515 1.00 0.00 H new ATOM 0 HA TYR A 8 19.118 -4.613 -10.305 1.00 0.00 H new ATOM 0 HB2 TYR A 8 17.241 -3.457 -11.635 1.00 0.00 H new ATOM 0 HB3 TYR A 8 18.441 -2.277 -12.122 1.00 0.00 H new ATOM 0 HD1 TYR A 8 18.995 -5.942 -11.682 1.00 0.00 H new ATOM 0 HD2 TYR A 8 18.609 -2.726 -14.451 1.00 0.00 H new ATOM 0 HE1 TYR A 8 19.715 -7.424 -13.503 1.00 0.00 H new ATOM 0 HE2 TYR A 8 19.326 -4.207 -16.273 1.00 0.00 H new ATOM 0 HH TYR A 8 19.975 -6.235 -16.861 1.00 0.00 H new ATOM 143 N GLU A 9 21.374 -3.496 -9.768 1.00 0.00 N ATOM 144 CA GLU A 9 22.765 -3.060 -9.776 1.00 0.00 C ATOM 145 C GLU A 9 23.380 -3.230 -11.163 1.00 0.00 C ATOM 146 O GLU A 9 24.363 -2.572 -11.502 1.00 0.00 O ATOM 147 CB GLU A 9 23.577 -3.850 -8.747 1.00 0.00 C ATOM 148 CG GLU A 9 22.951 -3.866 -7.362 1.00 0.00 C ATOM 149 CD GLU A 9 23.839 -4.533 -6.329 1.00 0.00 C ATOM 150 OE1 GLU A 9 23.811 -5.778 -6.239 1.00 0.00 O ATOM 151 OE2 GLU A 9 24.561 -3.810 -5.611 1.00 0.00 O ATOM 0 H GLU A 9 21.157 -4.201 -9.064 1.00 0.00 H new ATOM 0 HA GLU A 9 22.789 -2.003 -9.513 1.00 0.00 H new ATOM 0 HB2 GLU A 9 23.692 -4.876 -9.097 1.00 0.00 H new ATOM 0 HB3 GLU A 9 24.577 -3.422 -8.680 1.00 0.00 H new ATOM 0 HG2 GLU A 9 22.742 -2.843 -7.050 1.00 0.00 H new ATOM 0 HG3 GLU A 9 21.995 -4.388 -7.405 1.00 0.00 H new ATOM 158 N ASN A 10 22.794 -4.117 -11.959 1.00 0.00 N ATOM 159 CA ASN A 10 23.284 -4.375 -13.308 1.00 0.00 C ATOM 160 C ASN A 10 22.675 -3.393 -14.305 1.00 0.00 C ATOM 161 O ASN A 10 22.131 -3.794 -15.334 1.00 0.00 O ATOM 162 CB ASN A 10 22.958 -5.810 -13.726 1.00 0.00 C ATOM 163 CG ASN A 10 23.994 -6.804 -13.237 1.00 0.00 C ATOM 164 OD1 ASN A 10 24.560 -7.565 -14.022 1.00 0.00 O ATOM 165 ND2 ASN A 10 24.246 -6.802 -11.933 1.00 0.00 N ATOM 0 H ASN A 10 21.979 -4.670 -11.694 1.00 0.00 H new ATOM 0 HA ASN A 10 24.366 -4.241 -13.306 1.00 0.00 H new ATOM 0 HB2 ASN A 10 21.979 -6.086 -13.333 1.00 0.00 H new ATOM 0 HB3 ASN A 10 22.892 -5.863 -14.813 1.00 0.00 H new ATOM 0 HD21 ASN A 10 24.933 -7.449 -11.545 1.00 0.00 H new ATOM 0 HD22 ASN A 10 23.753 -6.153 -11.319 1.00 0.00 H new ATOM 172 N TYR A 11 22.771 -2.106 -13.992 1.00 0.00 N ATOM 173 CA TYR A 11 22.229 -1.066 -14.859 1.00 0.00 C ATOM 174 C TYR A 11 23.041 0.221 -14.739 1.00 0.00 C ATOM 175 O TYR A 11 23.466 0.618 -13.655 1.00 0.00 O ATOM 176 CB TYR A 11 20.765 -0.793 -14.509 1.00 0.00 C ATOM 177 CG TYR A 11 19.898 -0.507 -15.714 1.00 0.00 C ATOM 178 CD1 TYR A 11 19.695 -1.472 -16.693 1.00 0.00 C ATOM 179 CD2 TYR A 11 19.282 0.728 -15.873 1.00 0.00 C ATOM 180 CE1 TYR A 11 18.904 -1.214 -17.796 1.00 0.00 C ATOM 181 CE2 TYR A 11 18.488 0.994 -16.972 1.00 0.00 C ATOM 182 CZ TYR A 11 18.302 0.020 -17.931 1.00 0.00 C ATOM 183 OH TYR A 11 17.513 0.280 -19.028 1.00 0.00 O ATOM 0 H TYR A 11 23.219 -1.758 -13.144 1.00 0.00 H new ATOM 0 HA TYR A 11 22.290 -1.418 -15.889 1.00 0.00 H new ATOM 0 HB2 TYR A 11 20.361 -1.654 -13.977 1.00 0.00 H new ATOM 0 HB3 TYR A 11 20.715 0.055 -13.826 1.00 0.00 H new ATOM 0 HD1 TYR A 11 20.163 -2.440 -16.590 1.00 0.00 H new ATOM 0 HD2 TYR A 11 19.426 1.493 -15.125 1.00 0.00 H new ATOM 0 HE1 TYR A 11 18.758 -1.974 -18.549 1.00 0.00 H new ATOM 0 HE2 TYR A 11 18.016 1.959 -17.080 1.00 0.00 H new ATOM 0 HH TYR A 11 16.625 0.568 -18.731 1.00 0.00 H new ATOM 193 N PRO A 12 23.260 0.888 -15.882 1.00 0.00 N ATOM 194 CA PRO A 12 24.020 2.141 -15.933 1.00 0.00 C ATOM 195 C PRO A 12 23.272 3.300 -15.284 1.00 0.00 C ATOM 196 O PRO A 12 22.154 3.630 -15.681 1.00 0.00 O ATOM 197 CB PRO A 12 24.194 2.389 -17.433 1.00 0.00 C ATOM 198 CG PRO A 12 23.051 1.678 -18.070 1.00 0.00 C ATOM 199 CD PRO A 12 22.783 0.473 -17.211 1.00 0.00 C ATOM 0 HA PRO A 12 24.961 2.070 -15.387 1.00 0.00 H new ATOM 0 HB2 PRO A 12 24.175 3.454 -17.663 1.00 0.00 H new ATOM 0 HB3 PRO A 12 25.149 2.003 -17.790 1.00 0.00 H new ATOM 0 HG2 PRO A 12 22.173 2.321 -18.125 1.00 0.00 H new ATOM 0 HG3 PRO A 12 23.295 1.383 -19.091 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.723 0.218 -17.196 1.00 0.00 H new ATOM 0 HD3 PRO A 12 23.317 -0.405 -17.573 1.00 0.00 H new ATOM 207 N VAL A 13 23.895 3.916 -14.285 1.00 0.00 N ATOM 208 CA VAL A 13 23.288 5.040 -13.582 1.00 0.00 C ATOM 209 C VAL A 13 23.046 6.213 -14.526 1.00 0.00 C ATOM 210 O VAL A 13 22.259 7.111 -14.229 1.00 0.00 O ATOM 211 CB VAL A 13 24.170 5.512 -12.411 1.00 0.00 C ATOM 212 CG1 VAL A 13 24.546 4.339 -11.519 1.00 0.00 C ATOM 213 CG2 VAL A 13 25.414 6.217 -12.931 1.00 0.00 C ATOM 0 H VAL A 13 24.820 3.656 -13.944 1.00 0.00 H new ATOM 0 HA VAL A 13 22.333 4.690 -13.190 1.00 0.00 H new ATOM 0 HB VAL A 13 23.600 6.224 -11.814 1.00 0.00 H new ATOM 0 HG11 VAL A 13 25.169 4.692 -10.697 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.641 3.882 -11.118 1.00 0.00 H new ATOM 0 HG13 VAL A 13 25.098 3.601 -12.102 1.00 0.00 H new ATOM 0 HG21 VAL A 13 26.025 6.544 -12.090 1.00 0.00 H new ATOM 0 HG22 VAL A 13 25.989 5.530 -13.552 1.00 0.00 H new ATOM 0 HG23 VAL A 13 25.120 7.083 -13.524 1.00 0.00 H new ATOM 223 N SER A 14 23.729 6.198 -15.667 1.00 0.00 N ATOM 224 CA SER A 14 23.591 7.262 -16.654 1.00 0.00 C ATOM 225 C SER A 14 22.173 7.303 -17.214 1.00 0.00 C ATOM 226 O SER A 14 21.506 8.337 -17.173 1.00 0.00 O ATOM 227 CB SER A 14 24.595 7.063 -17.792 1.00 0.00 C ATOM 228 OG SER A 14 25.497 8.153 -17.872 1.00 0.00 O ATOM 0 H SER A 14 24.383 5.461 -15.930 1.00 0.00 H new ATOM 0 HA SER A 14 23.795 8.212 -16.160 1.00 0.00 H new ATOM 0 HB2 SER A 14 25.150 6.138 -17.634 1.00 0.00 H new ATOM 0 HB3 SER A 14 24.062 6.958 -18.737 1.00 0.00 H new ATOM 0 HG SER A 14 26.129 8.001 -18.605 1.00 0.00 H new ATOM 234 N LYS A 15 21.717 6.170 -17.737 1.00 0.00 N ATOM 235 CA LYS A 15 20.377 6.073 -18.304 1.00 0.00 C ATOM 236 C LYS A 15 19.318 6.417 -17.261 1.00 0.00 C ATOM 237 O LYS A 15 18.230 6.885 -17.598 1.00 0.00 O ATOM 238 CB LYS A 15 20.132 4.664 -18.849 1.00 0.00 C ATOM 239 CG LYS A 15 20.269 4.564 -20.359 1.00 0.00 C ATOM 240 CD LYS A 15 19.632 3.292 -20.893 1.00 0.00 C ATOM 241 CE LYS A 15 20.677 2.334 -21.444 1.00 0.00 C ATOM 242 NZ LYS A 15 20.167 1.573 -22.618 1.00 0.00 N ATOM 0 H LYS A 15 22.256 5.305 -17.780 1.00 0.00 H new ATOM 0 HA LYS A 15 20.303 6.790 -19.121 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.836 3.975 -18.382 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.132 4.341 -18.561 1.00 0.00 H new ATOM 0 HG2 LYS A 15 19.801 5.430 -20.826 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.324 4.586 -20.632 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.072 2.802 -20.096 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.918 3.543 -21.677 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.567 2.894 -21.733 1.00 0.00 H new ATOM 0 HE3 LYS A 15 20.979 1.637 -20.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.908 0.931 -22.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.333 1.019 -22.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.903 2.237 -23.374 1.00 0.00 H new ATOM 256 N CYS A 16 19.644 6.184 -15.995 1.00 0.00 N ATOM 257 CA CYS A 16 18.722 6.470 -14.902 1.00 0.00 C ATOM 258 C CYS A 16 18.541 7.974 -14.724 1.00 0.00 C ATOM 259 O CYS A 16 17.421 8.459 -14.559 1.00 0.00 O ATOM 260 CB CYS A 16 19.233 5.849 -13.600 1.00 0.00 C ATOM 261 SG CYS A 16 18.492 4.232 -13.207 1.00 0.00 S ATOM 0 H CYS A 16 20.541 5.798 -15.700 1.00 0.00 H new ATOM 0 HA CYS A 16 17.755 6.032 -15.151 1.00 0.00 H new ATOM 0 HB2 CYS A 16 20.315 5.735 -13.665 1.00 0.00 H new ATOM 0 HB3 CYS A 16 19.034 6.537 -12.779 1.00 0.00 H new ATOM 266 N GLN A 17 19.649 8.707 -14.758 1.00 0.00 N ATOM 267 CA GLN A 17 19.612 10.156 -14.599 1.00 0.00 C ATOM 268 C GLN A 17 18.927 10.817 -15.791 1.00 0.00 C ATOM 269 O GLN A 17 18.523 11.978 -15.723 1.00 0.00 O ATOM 270 CB GLN A 17 21.029 10.709 -14.439 1.00 0.00 C ATOM 271 CG GLN A 17 21.701 10.293 -13.141 1.00 0.00 C ATOM 272 CD GLN A 17 21.411 11.249 -12.001 1.00 0.00 C ATOM 273 OE1 GLN A 17 20.536 12.109 -12.104 1.00 0.00 O ATOM 274 NE2 GLN A 17 22.146 11.103 -10.904 1.00 0.00 N ATOM 0 H GLN A 17 20.583 8.321 -14.894 1.00 0.00 H new ATOM 0 HA GLN A 17 19.037 10.383 -13.701 1.00 0.00 H new ATOM 0 HB2 GLN A 17 21.638 10.373 -15.278 1.00 0.00 H new ATOM 0 HB3 GLN A 17 20.993 11.797 -14.487 1.00 0.00 H new ATOM 0 HG2 GLN A 17 21.364 9.293 -12.866 1.00 0.00 H new ATOM 0 HG3 GLN A 17 22.778 10.235 -13.296 1.00 0.00 H new ATOM 0 HE21 GLN A 17 22.861 10.376 -10.862 1.00 0.00 H new ATOM 0 HE22 GLN A 17 21.996 11.717 -10.104 1.00 0.00 H new ATOM 283 N LEU A 18 18.799 10.070 -16.882 1.00 0.00 N ATOM 284 CA LEU A 18 18.163 10.583 -18.090 1.00 0.00 C ATOM 285 C LEU A 18 16.650 10.670 -17.914 1.00 0.00 C ATOM 286 O LEU A 18 15.912 9.788 -18.355 1.00 0.00 O ATOM 287 CB LEU A 18 18.498 9.689 -19.286 1.00 0.00 C ATOM 288 CG LEU A 18 19.697 10.121 -20.131 1.00 0.00 C ATOM 289 CD1 LEU A 18 20.396 8.908 -20.725 1.00 0.00 C ATOM 290 CD2 LEU A 18 19.257 11.077 -21.231 1.00 0.00 C ATOM 0 H LEU A 18 19.127 9.107 -16.955 1.00 0.00 H new ATOM 0 HA LEU A 18 18.547 11.586 -18.275 1.00 0.00 H new ATOM 0 HB2 LEU A 18 18.682 8.679 -18.919 1.00 0.00 H new ATOM 0 HB3 LEU A 18 17.622 9.638 -19.933 1.00 0.00 H new ATOM 0 HG LEU A 18 20.404 10.642 -19.485 1.00 0.00 H new ATOM 0 HD11 LEU A 18 21.247 9.235 -21.323 1.00 0.00 H new ATOM 0 HD12 LEU A 18 20.745 8.260 -19.921 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.698 8.359 -21.357 1.00 0.00 H new ATOM 0 HD21 LEU A 18 20.123 11.374 -21.823 1.00 0.00 H new ATOM 0 HD22 LEU A 18 18.531 10.581 -21.875 1.00 0.00 H new ATOM 0 HD23 LEU A 18 18.802 11.961 -20.784 1.00 0.00 H new ATOM 302 N ARG A 19 16.195 11.739 -17.270 1.00 0.00 N ATOM 303 CA ARG A 19 14.770 11.942 -17.037 1.00 0.00 C ATOM 304 C ARG A 19 14.005 11.992 -18.356 1.00 0.00 C ATOM 305 O ARG A 19 12.789 11.805 -18.387 1.00 0.00 O ATOM 306 CB ARG A 19 14.539 13.234 -16.251 1.00 0.00 C ATOM 307 CG ARG A 19 14.230 13.006 -14.781 1.00 0.00 C ATOM 308 CD ARG A 19 13.225 14.021 -14.259 1.00 0.00 C ATOM 309 NE ARG A 19 12.434 13.488 -13.152 1.00 0.00 N ATOM 310 CZ ARG A 19 11.628 14.230 -12.401 1.00 0.00 C ATOM 311 NH1 ARG A 19 11.506 15.529 -12.637 1.00 0.00 N ATOM 312 NH2 ARG A 19 10.941 13.672 -11.412 1.00 0.00 N ATOM 0 H ARG A 19 16.792 12.478 -16.900 1.00 0.00 H new ATOM 0 HA ARG A 19 14.399 11.099 -16.454 1.00 0.00 H new ATOM 0 HB2 ARG A 19 15.425 13.863 -16.334 1.00 0.00 H new ATOM 0 HB3 ARG A 19 13.715 13.783 -16.706 1.00 0.00 H new ATOM 0 HG2 ARG A 19 13.837 11.999 -14.643 1.00 0.00 H new ATOM 0 HG3 ARG A 19 15.150 13.072 -14.200 1.00 0.00 H new ATOM 0 HD2 ARG A 19 13.752 14.917 -13.930 1.00 0.00 H new ATOM 0 HD3 ARG A 19 12.560 14.322 -15.068 1.00 0.00 H new ATOM 0 HE ARG A 19 12.505 12.492 -12.945 1.00 0.00 H new ATOM 0 HH11 ARG A 19 12.032 15.961 -13.397 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.886 16.096 -12.059 1.00 0.00 H new ATOM 0 HH21 ARG A 19 11.032 12.673 -11.228 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.322 14.242 -10.836 1.00 0.00 H new ATOM 326 N ILE A 20 14.726 12.247 -19.443 1.00 0.00 N ATOM 327 CA ILE A 20 14.115 12.321 -20.764 1.00 0.00 C ATOM 328 C ILE A 20 13.887 10.929 -21.343 1.00 0.00 C ATOM 329 O ILE A 20 12.766 10.571 -21.702 1.00 0.00 O ATOM 330 CB ILE A 20 14.985 13.135 -21.741 1.00 0.00 C ATOM 331 CG1 ILE A 20 15.502 14.404 -21.061 1.00 0.00 C ATOM 332 CG2 ILE A 20 14.191 13.483 -22.992 1.00 0.00 C ATOM 333 CD1 ILE A 20 14.408 15.381 -20.691 1.00 0.00 C ATOM 0 H ILE A 20 15.734 12.406 -19.435 1.00 0.00 H new ATOM 0 HA ILE A 20 13.155 12.822 -20.640 1.00 0.00 H new ATOM 0 HB ILE A 20 15.842 12.528 -22.035 1.00 0.00 H new ATOM 0 HG12 ILE A 20 16.050 14.126 -20.160 1.00 0.00 H new ATOM 0 HG13 ILE A 20 16.211 14.899 -21.725 1.00 0.00 H new ATOM 0 HG21 ILE A 20 14.818 14.058 -23.673 1.00 0.00 H new ATOM 0 HG22 ILE A 20 13.867 12.566 -23.484 1.00 0.00 H new ATOM 0 HG23 ILE A 20 13.318 14.075 -22.716 1.00 0.00 H new ATOM 0 HD11 ILE A 20 14.848 16.256 -20.213 1.00 0.00 H new ATOM 0 HD12 ILE A 20 13.875 15.688 -21.591 1.00 0.00 H new ATOM 0 HD13 ILE A 20 13.711 14.903 -20.002 1.00 0.00 H new ATOM 345 N ALA A 21 14.958 10.146 -21.428 1.00 0.00 N ATOM 346 CA ALA A 21 14.874 8.792 -21.960 1.00 0.00 C ATOM 347 C ALA A 21 15.150 7.758 -20.874 1.00 0.00 C ATOM 348 O ALA A 21 16.153 7.047 -20.921 1.00 0.00 O ATOM 349 CB ALA A 21 15.846 8.617 -23.117 1.00 0.00 C ATOM 0 H ALA A 21 15.894 10.427 -21.135 1.00 0.00 H new ATOM 0 HA ALA A 21 13.859 8.635 -22.326 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.772 7.601 -23.504 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.601 9.325 -23.908 1.00 0.00 H new ATOM 0 HB3 ALA A 21 16.863 8.799 -22.769 1.00 0.00 H new ATOM 355 N ASN A 22 14.253 7.680 -19.896 1.00 0.00 N ATOM 356 CA ASN A 22 14.401 6.733 -18.796 1.00 0.00 C ATOM 357 C ASN A 22 14.180 5.302 -19.277 1.00 0.00 C ATOM 358 O ASN A 22 13.068 4.780 -19.208 1.00 0.00 O ATOM 359 CB ASN A 22 13.415 7.065 -17.674 1.00 0.00 C ATOM 360 CG ASN A 22 13.971 6.739 -16.301 1.00 0.00 C ATOM 361 OD1 ASN A 22 15.179 6.819 -16.073 1.00 0.00 O ATOM 362 ND2 ASN A 22 13.091 6.369 -15.379 1.00 0.00 N ATOM 0 H ASN A 22 13.416 8.261 -19.843 1.00 0.00 H new ATOM 0 HA ASN A 22 15.418 6.815 -18.412 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.161 8.124 -17.718 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.490 6.509 -17.830 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.406 6.137 -14.437 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.099 6.317 -15.612 1.00 0.00 H new ATOM 369 N GLN A 23 15.246 4.676 -19.763 1.00 0.00 N ATOM 370 CA GLN A 23 15.168 3.305 -20.255 1.00 0.00 C ATOM 371 C GLN A 23 15.111 2.314 -19.098 1.00 0.00 C ATOM 372 O GLN A 23 14.979 1.107 -19.306 1.00 0.00 O ATOM 373 CB GLN A 23 16.368 2.993 -21.151 1.00 0.00 C ATOM 374 CG GLN A 23 15.990 2.695 -22.592 1.00 0.00 C ATOM 375 CD GLN A 23 15.587 1.249 -22.803 1.00 0.00 C ATOM 376 OE1 GLN A 23 16.340 0.329 -22.481 1.00 0.00 O ATOM 377 NE2 GLN A 23 14.393 1.040 -23.345 1.00 0.00 N ATOM 0 H GLN A 23 16.174 5.095 -19.827 1.00 0.00 H new ATOM 0 HA GLN A 23 14.253 3.207 -20.839 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.055 3.839 -21.132 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.905 2.138 -20.741 1.00 0.00 H new ATOM 0 HG2 GLN A 23 15.167 3.345 -22.889 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.833 2.932 -23.241 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.801 1.832 -23.597 1.00 0.00 H new ATOM 0 HE22 GLN A 23 14.067 0.088 -23.510 1.00 0.00 H new ATOM 386 N CYS A 24 15.212 2.830 -17.877 1.00 0.00 N ATOM 387 CA CYS A 24 15.173 1.990 -16.686 1.00 0.00 C ATOM 388 C CYS A 24 13.800 1.347 -16.519 1.00 0.00 C ATOM 389 O CYS A 24 13.667 0.124 -16.554 1.00 0.00 O ATOM 390 CB CYS A 24 15.516 2.815 -15.444 1.00 0.00 C ATOM 391 SG CYS A 24 15.145 1.978 -13.869 1.00 0.00 S ATOM 0 H CYS A 24 15.321 3.826 -17.687 1.00 0.00 H new ATOM 0 HA CYS A 24 15.913 1.199 -16.805 1.00 0.00 H new ATOM 0 HB2 CYS A 24 16.577 3.065 -15.469 1.00 0.00 H new ATOM 0 HB3 CYS A 24 14.965 3.755 -15.482 1.00 0.00 H new ATOM 396 N ASN A 25 12.780 2.180 -16.337 1.00 0.00 N ATOM 397 CA ASN A 25 11.416 1.692 -16.164 1.00 0.00 C ATOM 398 C ASN A 25 11.011 0.788 -17.323 1.00 0.00 C ATOM 399 O ASN A 25 10.325 -0.217 -17.130 1.00 0.00 O ATOM 400 CB ASN A 25 10.443 2.868 -16.055 1.00 0.00 C ATOM 401 CG ASN A 25 10.223 3.562 -17.385 1.00 0.00 C ATOM 402 OD1 ASN A 25 9.491 3.068 -18.242 1.00 0.00 O ATOM 403 ND2 ASN A 25 10.859 4.715 -17.562 1.00 0.00 N ATOM 0 H ASN A 25 12.872 3.195 -16.306 1.00 0.00 H new ATOM 0 HA ASN A 25 11.378 1.110 -15.243 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.487 2.511 -15.672 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.827 3.588 -15.332 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.750 5.228 -18.437 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.456 5.087 -16.823 1.00 0.00 H new ATOM 410 N TYR A 26 11.439 1.150 -18.527 1.00 0.00 N ATOM 411 CA TYR A 26 11.120 0.373 -19.719 1.00 0.00 C ATOM 412 C TYR A 26 11.888 -0.945 -19.731 1.00 0.00 C ATOM 413 O TYR A 26 11.366 -1.977 -20.154 1.00 0.00 O ATOM 414 CB TYR A 26 11.442 1.176 -20.979 1.00 0.00 C ATOM 415 CG TYR A 26 10.382 1.071 -22.053 1.00 0.00 C ATOM 416 CD1 TYR A 26 9.112 1.598 -21.855 1.00 0.00 C ATOM 417 CD2 TYR A 26 10.651 0.444 -23.263 1.00 0.00 C ATOM 418 CE1 TYR A 26 8.140 1.503 -22.833 1.00 0.00 C ATOM 419 CE2 TYR A 26 9.686 0.346 -24.246 1.00 0.00 C ATOM 420 CZ TYR A 26 8.432 0.877 -24.026 1.00 0.00 C ATOM 421 OH TYR A 26 7.467 0.780 -25.003 1.00 0.00 O ATOM 0 H TYR A 26 12.008 1.978 -18.704 1.00 0.00 H new ATOM 0 HA TYR A 26 10.053 0.151 -19.702 1.00 0.00 H new ATOM 0 HB2 TYR A 26 11.570 2.224 -20.709 1.00 0.00 H new ATOM 0 HB3 TYR A 26 12.394 0.833 -21.385 1.00 0.00 H new ATOM 0 HD1 TYR A 26 8.880 2.090 -20.922 1.00 0.00 H new ATOM 0 HD2 TYR A 26 11.631 0.026 -23.438 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.157 1.917 -22.663 1.00 0.00 H new ATOM 0 HE2 TYR A 26 9.912 -0.144 -25.182 1.00 0.00 H new ATOM 0 HH TYR A 26 7.835 0.312 -25.781 1.00 0.00 H new ATOM 431 N ASP A 27 13.131 -0.902 -19.265 1.00 0.00 N ATOM 432 CA ASP A 27 13.973 -2.092 -19.220 1.00 0.00 C ATOM 433 C ASP A 27 13.444 -3.093 -18.197 1.00 0.00 C ATOM 434 O ASP A 27 13.412 -4.297 -18.451 1.00 0.00 O ATOM 435 CB ASP A 27 15.415 -1.710 -18.881 1.00 0.00 C ATOM 436 CG ASP A 27 16.267 -2.916 -18.536 1.00 0.00 C ATOM 437 OD1 ASP A 27 16.225 -3.359 -17.369 1.00 0.00 O ATOM 438 OD2 ASP A 27 16.975 -3.418 -19.435 1.00 0.00 O ATOM 0 H ASP A 27 13.578 -0.056 -18.913 1.00 0.00 H new ATOM 0 HA ASP A 27 13.952 -2.560 -20.204 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.858 -1.186 -19.728 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.416 -1.016 -18.041 1.00 0.00 H new ATOM 443 N CYS A 28 13.033 -2.587 -17.039 1.00 0.00 N ATOM 444 CA CYS A 28 12.507 -3.436 -15.977 1.00 0.00 C ATOM 445 C CYS A 28 11.350 -4.290 -16.486 1.00 0.00 C ATOM 446 O CYS A 28 11.405 -5.519 -16.443 1.00 0.00 O ATOM 447 CB CYS A 28 12.044 -2.581 -14.795 1.00 0.00 C ATOM 448 SG CYS A 28 13.394 -2.022 -13.708 1.00 0.00 S ATOM 0 H CYS A 28 13.054 -1.593 -16.812 1.00 0.00 H new ATOM 0 HA CYS A 28 13.306 -4.099 -15.646 1.00 0.00 H new ATOM 0 HB2 CYS A 28 11.515 -1.708 -15.177 1.00 0.00 H new ATOM 0 HB3 CYS A 28 11.329 -3.154 -14.204 1.00 0.00 H new ATOM 453 N LYS A 29 10.302 -3.630 -16.967 1.00 0.00 N ATOM 454 CA LYS A 29 9.131 -4.327 -17.486 1.00 0.00 C ATOM 455 C LYS A 29 9.502 -5.200 -18.681 1.00 0.00 C ATOM 456 O LYS A 29 8.881 -6.236 -18.922 1.00 0.00 O ATOM 457 CB LYS A 29 8.051 -3.321 -17.891 1.00 0.00 C ATOM 458 CG LYS A 29 7.705 -2.326 -16.797 1.00 0.00 C ATOM 459 CD LYS A 29 7.063 -1.072 -17.366 1.00 0.00 C ATOM 460 CE LYS A 29 5.596 -1.299 -17.697 1.00 0.00 C ATOM 461 NZ LYS A 29 4.699 -0.510 -16.807 1.00 0.00 N ATOM 0 H LYS A 29 10.240 -2.613 -17.008 1.00 0.00 H new ATOM 0 HA LYS A 29 8.742 -4.970 -16.696 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.387 -2.776 -18.773 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.149 -3.864 -18.175 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.026 -2.791 -16.082 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.608 -2.057 -16.250 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.153 -0.257 -16.647 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.597 -0.764 -18.265 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.411 -1.024 -18.735 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.362 -2.359 -17.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.722 -0.570 -17.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.745 -0.892 -15.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.004 0.484 -16.800 1.00 0.00 H new ATOM 475 N LEU A 30 10.517 -4.775 -19.425 1.00 0.00 N ATOM 476 CA LEU A 30 10.972 -5.519 -20.594 1.00 0.00 C ATOM 477 C LEU A 30 11.311 -6.960 -20.225 1.00 0.00 C ATOM 478 O LEU A 30 10.813 -7.902 -20.842 1.00 0.00 O ATOM 479 CB LEU A 30 12.195 -4.838 -21.212 1.00 0.00 C ATOM 480 CG LEU A 30 12.064 -4.426 -22.679 1.00 0.00 C ATOM 481 CD1 LEU A 30 12.064 -2.911 -22.810 1.00 0.00 C ATOM 482 CD2 LEU A 30 13.188 -5.035 -23.506 1.00 0.00 C ATOM 0 H LEU A 30 11.040 -3.919 -19.240 1.00 0.00 H new ATOM 0 HA LEU A 30 10.162 -5.531 -21.324 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.426 -3.949 -20.625 1.00 0.00 H new ATOM 0 HB3 LEU A 30 13.047 -5.512 -21.119 1.00 0.00 H new ATOM 0 HG LEU A 30 11.114 -4.803 -23.059 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.970 -2.637 -23.861 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.225 -2.497 -22.251 1.00 0.00 H new ATOM 0 HD13 LEU A 30 12.997 -2.511 -22.413 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.079 -4.732 -24.547 1.00 0.00 H new ATOM 0 HD22 LEU A 30 14.149 -4.688 -23.125 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.142 -6.122 -23.438 1.00 0.00 H new ATOM 494 N ASP A 31 12.157 -7.123 -19.215 1.00 0.00 N ATOM 495 CA ASP A 31 12.560 -8.449 -18.761 1.00 0.00 C ATOM 496 C ASP A 31 11.921 -8.780 -17.416 1.00 0.00 C ATOM 497 O ASP A 31 11.052 -9.648 -17.325 1.00 0.00 O ATOM 498 CB ASP A 31 14.083 -8.534 -18.652 1.00 0.00 C ATOM 499 CG ASP A 31 14.707 -9.271 -19.820 1.00 0.00 C ATOM 500 OD1 ASP A 31 14.731 -8.706 -20.933 1.00 0.00 O ATOM 501 OD2 ASP A 31 15.172 -10.413 -19.622 1.00 0.00 O ATOM 0 H ASP A 31 12.578 -6.353 -18.694 1.00 0.00 H new ATOM 0 HA ASP A 31 12.216 -9.177 -19.495 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.497 -7.527 -18.598 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.350 -9.038 -17.723 1.00 0.00 H new ATOM 506 N LYS A 32 12.359 -8.084 -16.372 1.00 0.00 N ATOM 507 CA LYS A 32 11.831 -8.303 -15.030 1.00 0.00 C ATOM 508 C LYS A 32 10.306 -8.303 -15.039 1.00 0.00 C ATOM 509 O LYS A 32 9.671 -9.002 -14.249 1.00 0.00 O ATOM 510 CB LYS A 32 12.347 -7.224 -14.075 1.00 0.00 C ATOM 511 CG LYS A 32 13.859 -7.081 -14.078 1.00 0.00 C ATOM 512 CD LYS A 32 14.403 -6.890 -12.672 1.00 0.00 C ATOM 513 CE LYS A 32 15.894 -6.587 -12.687 1.00 0.00 C ATOM 514 NZ LYS A 32 16.408 -6.264 -11.328 1.00 0.00 N ATOM 0 H LYS A 32 13.078 -7.363 -16.429 1.00 0.00 H new ATOM 0 HA LYS A 32 12.174 -9.279 -14.686 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.900 -6.268 -14.345 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.015 -7.457 -13.063 1.00 0.00 H new ATOM 0 HG2 LYS A 32 14.308 -7.967 -14.526 1.00 0.00 H new ATOM 0 HG3 LYS A 32 14.144 -6.231 -14.698 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.870 -6.075 -12.182 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.219 -7.790 -12.084 1.00 0.00 H new ATOM 0 HE2 LYS A 32 16.435 -7.445 -13.085 1.00 0.00 H new ATOM 0 HE3 LYS A 32 16.088 -5.749 -13.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 17.323 -5.777 -11.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.729 -5.647 -10.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.531 -7.143 -10.786 1.00 0.00 H new ATOM 528 N HIS A 33 9.724 -7.515 -15.938 1.00 0.00 N ATOM 529 CA HIS A 33 8.272 -7.426 -16.050 1.00 0.00 C ATOM 530 C HIS A 33 7.669 -6.790 -14.802 1.00 0.00 C ATOM 531 O HIS A 33 6.555 -7.124 -14.400 1.00 0.00 O ATOM 532 CB HIS A 33 7.671 -8.815 -16.271 1.00 0.00 C ATOM 533 CG HIS A 33 6.462 -8.810 -17.156 1.00 0.00 C ATOM 534 ND1 HIS A 33 5.887 -9.962 -17.650 1.00 0.00 N ATOM 535 CD2 HIS A 33 5.718 -7.785 -17.633 1.00 0.00 C ATOM 536 CE1 HIS A 33 4.843 -9.645 -18.395 1.00 0.00 C ATOM 537 NE2 HIS A 33 4.719 -8.330 -18.400 1.00 0.00 N ATOM 0 H HIS A 33 10.235 -6.930 -16.599 1.00 0.00 H new ATOM 0 HA HIS A 33 8.036 -6.796 -16.907 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.429 -9.465 -16.709 1.00 0.00 H new ATOM 0 HB3 HIS A 33 7.403 -9.244 -15.305 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.880 -6.734 -17.445 1.00 0.00 H new ATOM 0 HE1 HIS A 33 4.200 -10.342 -18.912 1.00 0.00 H new ATOM 0 HE2 HIS A 33 3.998 -7.805 -18.894 1.00 0.00 H new ATOM 545 N ALA A 34 8.412 -5.872 -14.193 1.00 0.00 N ATOM 546 CA ALA A 34 7.950 -5.188 -12.992 1.00 0.00 C ATOM 547 C ALA A 34 6.631 -4.467 -13.244 1.00 0.00 C ATOM 548 O ALA A 34 6.046 -4.582 -14.321 1.00 0.00 O ATOM 549 CB ALA A 34 9.006 -4.207 -12.504 1.00 0.00 C ATOM 0 H ALA A 34 9.337 -5.585 -14.512 1.00 0.00 H new ATOM 0 HA ALA A 34 7.782 -5.938 -12.219 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.647 -3.703 -11.606 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.925 -4.746 -12.275 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.203 -3.468 -13.281 1.00 0.00 H new ATOM 555 N ARG A 35 6.168 -3.723 -12.245 1.00 0.00 N ATOM 556 CA ARG A 35 4.916 -2.984 -12.358 1.00 0.00 C ATOM 557 C ARG A 35 5.103 -1.724 -13.198 1.00 0.00 C ATOM 558 O ARG A 35 4.417 -1.527 -14.200 1.00 0.00 O ATOM 559 CB ARG A 35 4.391 -2.613 -10.970 1.00 0.00 C ATOM 560 CG ARG A 35 4.400 -3.770 -9.985 1.00 0.00 C ATOM 561 CD ARG A 35 4.037 -3.310 -8.582 1.00 0.00 C ATOM 562 NE ARG A 35 2.645 -2.876 -8.492 1.00 0.00 N ATOM 563 CZ ARG A 35 2.108 -2.354 -7.395 1.00 0.00 C ATOM 564 NH1 ARG A 35 2.842 -2.202 -6.301 1.00 0.00 N ATOM 565 NH2 ARG A 35 0.834 -1.982 -7.391 1.00 0.00 N ATOM 0 H ARG A 35 6.641 -3.616 -11.348 1.00 0.00 H new ATOM 0 HA ARG A 35 4.187 -3.625 -12.854 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.996 -1.800 -10.568 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.373 -2.236 -11.065 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.695 -4.534 -10.313 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.387 -4.232 -9.974 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.209 -4.124 -7.878 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.692 -2.490 -8.288 1.00 0.00 H new ATOM 0 HE ARG A 35 2.053 -2.979 -9.316 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.822 -2.486 -6.301 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.427 -1.801 -5.460 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.267 -2.097 -8.231 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.422 -1.581 -6.548 1.00 0.00 H new ATOM 579 N SER A 36 6.035 -0.874 -12.780 1.00 0.00 N ATOM 580 CA SER A 36 6.310 0.369 -13.490 1.00 0.00 C ATOM 581 C SER A 36 7.810 0.566 -13.682 1.00 0.00 C ATOM 582 O SER A 36 8.279 0.810 -14.793 1.00 0.00 O ATOM 583 CB SER A 36 5.722 1.558 -12.727 1.00 0.00 C ATOM 584 OG SER A 36 5.317 1.177 -11.424 1.00 0.00 O ATOM 0 H SER A 36 6.613 -1.024 -11.953 1.00 0.00 H new ATOM 0 HA SER A 36 5.841 0.308 -14.472 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.463 2.355 -12.663 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.869 1.959 -13.274 1.00 0.00 H new ATOM 0 HG SER A 36 4.946 1.954 -10.956 1.00 0.00 H new ATOM 590 N GLY A 37 8.560 0.457 -12.589 1.00 0.00 N ATOM 591 CA GLY A 37 10.000 0.626 -12.657 1.00 0.00 C ATOM 592 C GLY A 37 10.418 2.080 -12.564 1.00 0.00 C ATOM 593 O GLY A 37 9.860 2.937 -13.247 1.00 0.00 O ATOM 0 H GLY A 37 8.196 0.255 -11.658 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.467 0.064 -11.848 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.368 0.204 -13.592 1.00 0.00 H new ATOM 597 N GLU A 38 11.402 2.357 -11.714 1.00 0.00 N ATOM 598 CA GLU A 38 11.892 3.719 -11.533 1.00 0.00 C ATOM 599 C GLU A 38 13.324 3.715 -11.004 1.00 0.00 C ATOM 600 O GLU A 38 13.826 2.689 -10.545 1.00 0.00 O ATOM 601 CB GLU A 38 10.984 4.488 -10.571 1.00 0.00 C ATOM 602 CG GLU A 38 9.710 5.003 -11.218 1.00 0.00 C ATOM 603 CD GLU A 38 8.977 6.006 -10.348 1.00 0.00 C ATOM 604 OE1 GLU A 38 9.316 7.206 -10.411 1.00 0.00 O ATOM 605 OE2 GLU A 38 8.065 5.589 -9.603 1.00 0.00 O ATOM 0 H GLU A 38 11.875 1.658 -11.141 1.00 0.00 H new ATOM 0 HA GLU A 38 11.882 4.214 -12.504 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.721 3.839 -9.736 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.538 5.331 -10.157 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.954 5.467 -12.174 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.050 4.162 -11.431 1.00 0.00 H new ATOM 612 N CYS A 39 13.976 4.871 -11.073 1.00 0.00 N ATOM 613 CA CYS A 39 15.350 5.003 -10.603 1.00 0.00 C ATOM 614 C CYS A 39 15.412 5.842 -9.330 1.00 0.00 C ATOM 615 O CYS A 39 14.717 6.851 -9.205 1.00 0.00 O ATOM 616 CB CYS A 39 16.223 5.638 -11.688 1.00 0.00 C ATOM 617 SG CYS A 39 16.405 4.618 -13.186 1.00 0.00 S ATOM 0 H CYS A 39 13.575 5.730 -11.450 1.00 0.00 H new ATOM 0 HA CYS A 39 15.728 4.006 -10.378 1.00 0.00 H new ATOM 0 HB2 CYS A 39 15.795 6.601 -11.967 1.00 0.00 H new ATOM 0 HB3 CYS A 39 17.212 5.837 -11.274 1.00 0.00 H new ATOM 622 N PHE A 40 16.247 5.418 -8.388 1.00 0.00 N ATOM 623 CA PHE A 40 16.400 6.130 -7.124 1.00 0.00 C ATOM 624 C PHE A 40 17.810 5.955 -6.569 1.00 0.00 C ATOM 625 O PHE A 40 18.512 5.004 -6.913 1.00 0.00 O ATOM 626 CB PHE A 40 15.373 5.630 -6.107 1.00 0.00 C ATOM 627 CG PHE A 40 13.949 5.835 -6.541 1.00 0.00 C ATOM 628 CD1 PHE A 40 13.346 7.076 -6.418 1.00 0.00 C ATOM 629 CD2 PHE A 40 13.215 4.786 -7.072 1.00 0.00 C ATOM 630 CE1 PHE A 40 12.036 7.267 -6.816 1.00 0.00 C ATOM 631 CE2 PHE A 40 11.905 4.971 -7.472 1.00 0.00 C ATOM 632 CZ PHE A 40 11.315 6.214 -7.345 1.00 0.00 C ATOM 0 H PHE A 40 16.829 4.585 -8.475 1.00 0.00 H new ATOM 0 HA PHE A 40 16.231 7.191 -7.309 1.00 0.00 H new ATOM 0 HB2 PHE A 40 15.540 4.568 -5.926 1.00 0.00 H new ATOM 0 HB3 PHE A 40 15.533 6.144 -5.159 1.00 0.00 H new ATOM 0 HD1 PHE A 40 13.905 7.903 -6.007 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.672 3.813 -7.174 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.576 8.239 -6.713 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.343 4.145 -7.883 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.292 6.362 -7.659 1.00 0.00 H new ATOM 642 N TYR A 41 18.218 6.880 -5.707 1.00 0.00 N ATOM 643 CA TYR A 41 19.545 6.832 -5.105 1.00 0.00 C ATOM 644 C TYR A 41 19.608 5.772 -4.009 1.00 0.00 C ATOM 645 O TYR A 41 18.595 5.437 -3.396 1.00 0.00 O ATOM 646 CB TYR A 41 19.918 8.199 -4.530 1.00 0.00 C ATOM 647 CG TYR A 41 20.279 9.221 -5.584 1.00 0.00 C ATOM 648 CD1 TYR A 41 19.301 10.012 -6.177 1.00 0.00 C ATOM 649 CD2 TYR A 41 21.596 9.396 -5.988 1.00 0.00 C ATOM 650 CE1 TYR A 41 19.626 10.946 -7.141 1.00 0.00 C ATOM 651 CE2 TYR A 41 21.931 10.330 -6.950 1.00 0.00 C ATOM 652 CZ TYR A 41 20.942 11.102 -7.524 1.00 0.00 C ATOM 653 OH TYR A 41 21.271 12.032 -8.483 1.00 0.00 O ATOM 0 H TYR A 41 17.649 7.672 -5.410 1.00 0.00 H new ATOM 0 HA TYR A 41 20.260 6.566 -5.884 1.00 0.00 H new ATOM 0 HB2 TYR A 41 19.082 8.576 -3.941 1.00 0.00 H new ATOM 0 HB3 TYR A 41 20.760 8.080 -3.848 1.00 0.00 H new ATOM 0 HD1 TYR A 41 18.270 9.894 -5.879 1.00 0.00 H new ATOM 0 HD2 TYR A 41 22.372 8.792 -5.543 1.00 0.00 H new ATOM 0 HE1 TYR A 41 18.854 11.551 -7.593 1.00 0.00 H new ATOM 0 HE2 TYR A 41 22.961 10.455 -7.251 1.00 0.00 H new ATOM 0 HH TYR A 41 22.177 12.366 -8.317 1.00 0.00 H new ATOM 663 N ASP A 42 20.805 5.250 -3.769 1.00 0.00 N ATOM 664 CA ASP A 42 21.003 4.229 -2.746 1.00 0.00 C ATOM 665 C ASP A 42 21.497 4.853 -1.444 1.00 0.00 C ATOM 666 O ASP A 42 21.486 6.073 -1.287 1.00 0.00 O ATOM 667 CB ASP A 42 21.999 3.176 -3.231 1.00 0.00 C ATOM 668 CG ASP A 42 21.540 1.762 -2.933 1.00 0.00 C ATOM 669 OD1 ASP A 42 20.557 1.314 -3.560 1.00 0.00 O ATOM 670 OD2 ASP A 42 22.162 1.105 -2.072 1.00 0.00 O ATOM 0 H ASP A 42 21.653 5.517 -4.269 1.00 0.00 H new ATOM 0 HA ASP A 42 20.043 3.749 -2.557 1.00 0.00 H new ATOM 0 HB2 ASP A 42 22.147 3.288 -4.305 1.00 0.00 H new ATOM 0 HB3 ASP A 42 22.965 3.349 -2.757 1.00 0.00 H new ATOM 675 N GLU A 43 21.928 4.006 -0.514 1.00 0.00 N ATOM 676 CA GLU A 43 22.424 4.476 0.774 1.00 0.00 C ATOM 677 C GLU A 43 23.733 5.242 0.607 1.00 0.00 C ATOM 678 O GLU A 43 24.093 6.069 1.445 1.00 0.00 O ATOM 679 CB GLU A 43 22.628 3.296 1.727 1.00 0.00 C ATOM 680 CG GLU A 43 21.428 2.369 1.814 1.00 0.00 C ATOM 681 CD GLU A 43 21.622 1.256 2.825 1.00 0.00 C ATOM 682 OE1 GLU A 43 22.764 1.079 3.300 1.00 0.00 O ATOM 683 OE2 GLU A 43 20.634 0.562 3.142 1.00 0.00 O ATOM 0 H GLU A 43 21.944 2.993 -0.628 1.00 0.00 H new ATOM 0 HA GLU A 43 21.680 5.152 1.197 1.00 0.00 H new ATOM 0 HB2 GLU A 43 23.496 2.723 1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 43 22.854 3.679 2.722 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.545 2.949 2.083 1.00 0.00 H new ATOM 0 HG3 GLU A 43 21.238 1.934 0.833 1.00 0.00 H new ATOM 690 N LYS A 44 24.442 4.959 -0.481 1.00 0.00 N ATOM 691 CA LYS A 44 25.711 5.620 -0.761 1.00 0.00 C ATOM 692 C LYS A 44 25.539 6.701 -1.824 1.00 0.00 C ATOM 693 O LYS A 44 26.499 7.088 -2.489 1.00 0.00 O ATOM 694 CB LYS A 44 26.752 4.597 -1.221 1.00 0.00 C ATOM 695 CG LYS A 44 27.573 4.012 -0.086 1.00 0.00 C ATOM 696 CD LYS A 44 29.056 4.285 -0.272 1.00 0.00 C ATOM 697 CE LYS A 44 29.905 3.366 0.593 1.00 0.00 C ATOM 698 NZ LYS A 44 31.179 4.015 1.007 1.00 0.00 N ATOM 0 H LYS A 44 24.159 4.276 -1.183 1.00 0.00 H new ATOM 0 HA LYS A 44 26.057 6.092 0.159 1.00 0.00 H new ATOM 0 HB2 LYS A 44 26.246 3.787 -1.747 1.00 0.00 H new ATOM 0 HB3 LYS A 44 27.423 5.071 -1.937 1.00 0.00 H new ATOM 0 HG2 LYS A 44 27.240 4.436 0.861 1.00 0.00 H new ATOM 0 HG3 LYS A 44 27.404 2.937 -0.030 1.00 0.00 H new ATOM 0 HD2 LYS A 44 29.323 4.149 -1.320 1.00 0.00 H new ATOM 0 HD3 LYS A 44 29.270 5.324 -0.020 1.00 0.00 H new ATOM 0 HE2 LYS A 44 29.340 3.077 1.479 1.00 0.00 H new ATOM 0 HE3 LYS A 44 30.125 2.451 0.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 31.729 3.357 1.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 31.730 4.268 0.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 30.969 4.874 1.554 1.00 0.00 H new ATOM 712 N ARG A 45 24.310 7.184 -1.977 1.00 0.00 N ATOM 713 CA ARG A 45 24.014 8.220 -2.959 1.00 0.00 C ATOM 714 C ARG A 45 24.271 7.715 -4.376 1.00 0.00 C ATOM 715 O ARG A 45 24.757 8.456 -5.230 1.00 0.00 O ATOM 716 CB ARG A 45 24.858 9.466 -2.688 1.00 0.00 C ATOM 717 CG ARG A 45 24.777 9.957 -1.252 1.00 0.00 C ATOM 718 CD ARG A 45 23.992 11.255 -1.150 1.00 0.00 C ATOM 719 NE ARG A 45 24.265 11.963 0.097 1.00 0.00 N ATOM 720 CZ ARG A 45 23.666 13.097 0.445 1.00 0.00 C ATOM 721 NH1 ARG A 45 22.765 13.648 -0.357 1.00 0.00 N ATOM 722 NH2 ARG A 45 23.967 13.682 1.597 1.00 0.00 N ATOM 0 H ARG A 45 23.504 6.875 -1.434 1.00 0.00 H new ATOM 0 HA ARG A 45 22.959 8.479 -2.870 1.00 0.00 H new ATOM 0 HB2 ARG A 45 25.898 9.249 -2.931 1.00 0.00 H new ATOM 0 HB3 ARG A 45 24.535 10.265 -3.355 1.00 0.00 H new ATOM 0 HG2 ARG A 45 24.304 9.195 -0.632 1.00 0.00 H new ATOM 0 HG3 ARG A 45 25.783 10.107 -0.861 1.00 0.00 H new ATOM 0 HD2 ARG A 45 24.243 11.898 -1.994 1.00 0.00 H new ATOM 0 HD3 ARG A 45 22.926 11.040 -1.219 1.00 0.00 H new ATOM 0 HE ARG A 45 24.953 11.566 0.736 1.00 0.00 H new ATOM 0 HH11 ARG A 45 22.530 13.201 -1.243 1.00 0.00 H new ATOM 0 HH12 ARG A 45 22.307 14.518 -0.087 1.00 0.00 H new ATOM 0 HH21 ARG A 45 24.659 13.261 2.217 1.00 0.00 H new ATOM 0 HH22 ARG A 45 23.506 14.552 1.863 1.00 0.00 H new ATOM 736 N ASN A 46 23.943 6.450 -4.617 1.00 0.00 N ATOM 737 CA ASN A 46 24.139 5.847 -5.930 1.00 0.00 C ATOM 738 C ASN A 46 22.800 5.547 -6.597 1.00 0.00 C ATOM 739 O ASN A 46 22.036 4.702 -6.129 1.00 0.00 O ATOM 740 CB ASN A 46 24.959 4.561 -5.805 1.00 0.00 C ATOM 741 CG ASN A 46 26.124 4.708 -4.846 1.00 0.00 C ATOM 742 OD1 ASN A 46 26.701 5.788 -4.715 1.00 0.00 O ATOM 743 ND2 ASN A 46 26.476 3.620 -4.171 1.00 0.00 N ATOM 0 H ASN A 46 23.540 5.823 -3.921 1.00 0.00 H new ATOM 0 HA ASN A 46 24.682 6.558 -6.552 1.00 0.00 H new ATOM 0 HB2 ASN A 46 24.312 3.753 -5.465 1.00 0.00 H new ATOM 0 HB3 ASN A 46 25.335 4.276 -6.788 1.00 0.00 H new ATOM 0 HD21 ASN A 46 27.253 3.658 -3.512 1.00 0.00 H new ATOM 0 HD22 ASN A 46 25.969 2.746 -4.312 1.00 0.00 H new ATOM 750 N LEU A 47 22.523 6.244 -7.693 1.00 0.00 N ATOM 751 CA LEU A 47 21.277 6.053 -8.427 1.00 0.00 C ATOM 752 C LEU A 47 21.255 4.693 -9.119 1.00 0.00 C ATOM 753 O LEU A 47 22.089 4.412 -9.979 1.00 0.00 O ATOM 754 CB LEU A 47 21.093 7.166 -9.459 1.00 0.00 C ATOM 755 CG LEU A 47 19.830 8.015 -9.314 1.00 0.00 C ATOM 756 CD1 LEU A 47 19.869 9.199 -10.268 1.00 0.00 C ATOM 757 CD2 LEU A 47 18.588 7.171 -9.560 1.00 0.00 C ATOM 0 H LEU A 47 23.144 6.947 -8.093 1.00 0.00 H new ATOM 0 HA LEU A 47 20.455 6.090 -7.712 1.00 0.00 H new ATOM 0 HB2 LEU A 47 21.958 7.827 -9.409 1.00 0.00 H new ATOM 0 HB3 LEU A 47 21.092 6.717 -10.452 1.00 0.00 H new ATOM 0 HG LEU A 47 19.789 8.398 -8.294 1.00 0.00 H new ATOM 0 HD11 LEU A 47 18.962 9.791 -10.150 1.00 0.00 H new ATOM 0 HD12 LEU A 47 20.738 9.818 -10.044 1.00 0.00 H new ATOM 0 HD13 LEU A 47 19.935 8.837 -11.294 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.699 7.792 -9.452 1.00 0.00 H new ATOM 0 HD22 LEU A 47 18.622 6.758 -10.568 1.00 0.00 H new ATOM 0 HD23 LEU A 47 18.552 6.357 -8.836 1.00 0.00 H new ATOM 769 N GLN A 48 20.295 3.857 -8.738 1.00 0.00 N ATOM 770 CA GLN A 48 20.164 2.528 -9.324 1.00 0.00 C ATOM 771 C GLN A 48 18.762 2.316 -9.885 1.00 0.00 C ATOM 772 O GLN A 48 17.805 2.957 -9.451 1.00 0.00 O ATOM 773 CB GLN A 48 20.477 1.454 -8.280 1.00 0.00 C ATOM 774 CG GLN A 48 21.891 1.534 -7.730 1.00 0.00 C ATOM 775 CD GLN A 48 22.303 0.275 -6.992 1.00 0.00 C ATOM 776 OE1 GLN A 48 22.926 -0.619 -7.566 1.00 0.00 O ATOM 777 NE2 GLN A 48 21.956 0.198 -5.713 1.00 0.00 N ATOM 0 H GLN A 48 19.597 4.076 -8.027 1.00 0.00 H new ATOM 0 HA GLN A 48 20.879 2.448 -10.143 1.00 0.00 H new ATOM 0 HB2 GLN A 48 19.770 1.544 -7.455 1.00 0.00 H new ATOM 0 HB3 GLN A 48 20.324 0.471 -8.725 1.00 0.00 H new ATOM 0 HG2 GLN A 48 22.586 1.714 -8.550 1.00 0.00 H new ATOM 0 HG3 GLN A 48 21.967 2.387 -7.056 1.00 0.00 H new ATOM 0 HE21 GLN A 48 21.440 0.963 -5.278 1.00 0.00 H new ATOM 0 HE22 GLN A 48 22.205 -0.626 -5.166 1.00 0.00 H new ATOM 786 N CYS A 49 18.648 1.411 -10.852 1.00 0.00 N ATOM 787 CA CYS A 49 17.363 1.114 -11.474 1.00 0.00 C ATOM 788 C CYS A 49 16.544 0.165 -10.604 1.00 0.00 C ATOM 789 O CYS A 49 16.676 -1.055 -10.707 1.00 0.00 O ATOM 790 CB CYS A 49 17.573 0.501 -12.860 1.00 0.00 C ATOM 791 SG CYS A 49 16.032 0.220 -13.790 1.00 0.00 S ATOM 0 H CYS A 49 19.430 0.871 -11.222 1.00 0.00 H new ATOM 0 HA CYS A 49 16.813 2.049 -11.578 1.00 0.00 H new ATOM 0 HB2 CYS A 49 18.221 1.157 -13.441 1.00 0.00 H new ATOM 0 HB3 CYS A 49 18.097 -0.449 -12.750 1.00 0.00 H new ATOM 796 N ILE A 50 15.700 0.733 -9.750 1.00 0.00 N ATOM 797 CA ILE A 50 14.860 -0.063 -8.864 1.00 0.00 C ATOM 798 C ILE A 50 13.525 -0.394 -9.523 1.00 0.00 C ATOM 799 O ILE A 50 12.759 0.501 -9.882 1.00 0.00 O ATOM 800 CB ILE A 50 14.595 0.666 -7.533 1.00 0.00 C ATOM 801 CG1 ILE A 50 15.876 0.731 -6.699 1.00 0.00 C ATOM 802 CG2 ILE A 50 13.486 -0.030 -6.759 1.00 0.00 C ATOM 803 CD1 ILE A 50 16.311 2.141 -6.367 1.00 0.00 C ATOM 0 H ILE A 50 15.580 1.741 -9.653 1.00 0.00 H new ATOM 0 HA ILE A 50 15.402 -0.987 -8.661 1.00 0.00 H new ATOM 0 HB ILE A 50 14.274 1.685 -7.751 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.724 0.179 -5.772 1.00 0.00 H new ATOM 0 HG13 ILE A 50 16.678 0.230 -7.241 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.311 0.497 -5.821 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.572 -0.028 -7.353 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.780 -1.058 -6.548 1.00 0.00 H new ATOM 0 HD11 ILE A 50 17.225 2.110 -5.774 1.00 0.00 H new ATOM 0 HD12 ILE A 50 16.495 2.692 -7.289 1.00 0.00 H new ATOM 0 HD13 ILE A 50 15.526 2.639 -5.797 1.00 0.00 H new ATOM 815 N CYS A 51 13.252 -1.685 -9.678 1.00 0.00 N ATOM 816 CA CYS A 51 12.010 -2.136 -10.293 1.00 0.00 C ATOM 817 C CYS A 51 10.949 -2.416 -9.232 1.00 0.00 C ATOM 818 O CYS A 51 11.245 -2.452 -8.038 1.00 0.00 O ATOM 819 CB CYS A 51 12.256 -3.394 -11.128 1.00 0.00 C ATOM 820 SG CYS A 51 13.698 -3.280 -12.236 1.00 0.00 S ATOM 0 H CYS A 51 13.875 -2.438 -9.386 1.00 0.00 H new ATOM 0 HA CYS A 51 11.647 -1.341 -10.945 1.00 0.00 H new ATOM 0 HB2 CYS A 51 12.393 -4.242 -10.457 1.00 0.00 H new ATOM 0 HB3 CYS A 51 11.368 -3.600 -11.725 1.00 0.00 H new ATOM 825 N ASP A 52 9.713 -2.614 -9.678 1.00 0.00 N ATOM 826 CA ASP A 52 8.608 -2.892 -8.768 1.00 0.00 C ATOM 827 C ASP A 52 8.144 -4.339 -8.902 1.00 0.00 C ATOM 828 O ASP A 52 7.723 -4.770 -9.976 1.00 0.00 O ATOM 829 CB ASP A 52 7.441 -1.942 -9.044 1.00 0.00 C ATOM 830 CG ASP A 52 7.309 -0.865 -7.986 1.00 0.00 C ATOM 831 OD1 ASP A 52 6.693 -1.138 -6.935 1.00 0.00 O ATOM 832 OD2 ASP A 52 7.821 0.252 -8.209 1.00 0.00 O ATOM 0 H ASP A 52 9.451 -2.587 -10.664 1.00 0.00 H new ATOM 0 HA ASP A 52 8.961 -2.736 -7.749 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.580 -1.475 -10.019 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.515 -2.514 -9.094 1.00 0.00 H new ATOM 837 N TYR A 53 8.227 -5.085 -7.806 1.00 0.00 N ATOM 838 CA TYR A 53 7.819 -6.485 -7.803 1.00 0.00 C ATOM 839 C TYR A 53 6.754 -6.740 -6.741 1.00 0.00 C ATOM 840 O TYR A 53 7.045 -6.764 -5.545 1.00 0.00 O ATOM 841 CB TYR A 53 9.028 -7.389 -7.555 1.00 0.00 C ATOM 842 CG TYR A 53 9.637 -7.947 -8.821 1.00 0.00 C ATOM 843 CD1 TYR A 53 9.173 -9.133 -9.376 1.00 0.00 C ATOM 844 CD2 TYR A 53 10.677 -7.285 -9.465 1.00 0.00 C ATOM 845 CE1 TYR A 53 9.728 -9.646 -10.532 1.00 0.00 C ATOM 846 CE2 TYR A 53 11.236 -7.790 -10.623 1.00 0.00 C ATOM 847 CZ TYR A 53 10.758 -8.971 -11.152 1.00 0.00 C ATOM 848 OH TYR A 53 11.312 -9.478 -12.305 1.00 0.00 O ATOM 0 H TYR A 53 8.573 -4.744 -6.909 1.00 0.00 H new ATOM 0 HA TYR A 53 7.395 -6.716 -8.780 1.00 0.00 H new ATOM 0 HB2 TYR A 53 9.788 -6.825 -7.014 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.727 -8.216 -6.912 1.00 0.00 H new ATOM 0 HD1 TYR A 53 8.364 -9.663 -8.895 1.00 0.00 H new ATOM 0 HD2 TYR A 53 11.054 -6.361 -9.053 1.00 0.00 H new ATOM 0 HE1 TYR A 53 9.357 -10.571 -10.948 1.00 0.00 H new ATOM 0 HE2 TYR A 53 12.043 -7.263 -11.111 1.00 0.00 H new ATOM 0 HH TYR A 53 10.604 -9.651 -12.960 1.00 0.00 H new ATOM 858 N CYS A 54 5.516 -6.929 -7.187 1.00 0.00 N ATOM 859 CA CYS A 54 4.405 -7.182 -6.278 1.00 0.00 C ATOM 860 C CYS A 54 3.090 -7.290 -7.044 1.00 0.00 C ATOM 861 O CYS A 54 2.197 -8.045 -6.659 1.00 0.00 O ATOM 862 CB CYS A 54 4.310 -6.068 -5.233 1.00 0.00 C ATOM 863 SG CYS A 54 4.503 -6.642 -3.515 1.00 0.00 S ATOM 0 H CYS A 54 5.257 -6.912 -8.174 1.00 0.00 H new ATOM 0 HA CYS A 54 4.590 -8.130 -5.773 1.00 0.00 H new ATOM 0 HB2 CYS A 54 5.075 -5.321 -5.443 1.00 0.00 H new ATOM 0 HB3 CYS A 54 3.344 -5.572 -5.333 1.00 0.00 H new ATOM 868 N GLU A 55 2.979 -6.530 -8.129 1.00 0.00 N ATOM 869 CA GLU A 55 1.772 -6.540 -8.948 1.00 0.00 C ATOM 870 C GLU A 55 0.575 -6.019 -8.158 1.00 0.00 C ATOM 871 O GLU A 55 0.542 -6.104 -6.931 1.00 0.00 O ATOM 872 CB GLU A 55 1.486 -7.955 -9.455 1.00 0.00 C ATOM 873 CG GLU A 55 1.360 -8.045 -10.967 1.00 0.00 C ATOM 874 CD GLU A 55 0.278 -9.014 -11.405 1.00 0.00 C ATOM 875 OE1 GLU A 55 0.273 -10.161 -10.912 1.00 0.00 O ATOM 876 OE2 GLU A 55 -0.563 -8.623 -12.242 1.00 0.00 O ATOM 0 H GLU A 55 3.709 -5.900 -8.461 1.00 0.00 H new ATOM 0 HA GLU A 55 1.936 -5.882 -9.801 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.285 -8.619 -9.125 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.564 -8.316 -9.000 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.141 -7.056 -11.369 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.315 -8.357 -11.390 1.00 0.00 H new ATOM 883 N TYR A 56 -0.407 -5.480 -8.872 1.00 0.00 N ATOM 884 CA TYR A 56 -1.606 -4.943 -8.240 1.00 0.00 C ATOM 885 C TYR A 56 -2.514 -6.066 -7.749 1.00 0.00 C ATOM 886 O TYR A 56 -2.677 -7.083 -8.420 1.00 0.00 O ATOM 887 CB TYR A 56 -2.367 -4.048 -9.219 1.00 0.00 C ATOM 888 CG TYR A 56 -3.068 -4.813 -10.319 1.00 0.00 C ATOM 889 CD1 TYR A 56 -2.387 -5.202 -11.466 1.00 0.00 C ATOM 890 CD2 TYR A 56 -4.413 -5.149 -10.210 1.00 0.00 C ATOM 891 CE1 TYR A 56 -3.024 -5.901 -12.473 1.00 0.00 C ATOM 892 CE2 TYR A 56 -5.057 -5.849 -11.212 1.00 0.00 C ATOM 893 CZ TYR A 56 -4.359 -6.222 -12.341 1.00 0.00 C ATOM 894 OH TYR A 56 -4.997 -6.919 -13.342 1.00 0.00 O ATOM 0 H TYR A 56 -0.396 -5.403 -9.889 1.00 0.00 H new ATOM 0 HA TYR A 56 -1.297 -4.349 -7.380 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -3.104 -3.464 -8.667 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -1.670 -3.340 -9.667 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.341 -4.954 -11.572 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -4.963 -4.858 -9.327 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.480 -6.194 -13.359 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.102 -6.103 -11.111 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.933 -7.066 -13.093 1.00 0.00 H new TER 904 TYR A 56