USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=11 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= -0.411 K(o=-2.7,f=-3.8!) USER MOD Set 1.2: A 25 ASN : amide:sc= -2.29 X(o=-2.7,f=-2.5) USER MOD Single : A 1 GLN : amide:sc= -0.092 K(o=-0.092,f=-0.81) 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= -0.137 X(o=-0.14,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.788 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -149:sc= -0.0652 (180deg=-0.618) USER MOD Single : A 17 GLN : amide:sc= -2.44 X(o=-2.4,f=-2.4!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= 1.16 (180deg=1.08) USER MOD Single : A 32 LYS NZ :NH3+ -166:sc= 0.748 (180deg=0.747) USER MOD Single : A 33 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.0072) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.15 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -1.69 X(o=-1.7,f=-2) USER MOD Single : A 48 GLN : amide:sc= -3.46! K(o=-3.5!,f=-1.5) USER MOD Single : A 53 TYR OH : rot -125:sc= 0.315 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 2.065 2.282 -3.833 1.00 0.00 N ATOM 2 CA GLN A 1 2.789 1.757 -2.681 1.00 0.00 C ATOM 3 C GLN A 1 4.234 1.437 -3.047 1.00 0.00 C ATOM 4 O GLN A 1 4.502 0.827 -4.083 1.00 0.00 O ATOM 5 CB GLN A 1 2.096 0.503 -2.145 1.00 0.00 C ATOM 6 CG GLN A 1 1.920 0.504 -0.635 1.00 0.00 C ATOM 7 CD GLN A 1 0.465 0.591 -0.217 1.00 0.00 C ATOM 8 OE1 GLN A 1 -0.364 1.160 -0.928 1.00 0.00 O ATOM 9 NE2 GLN A 1 0.147 0.026 0.942 1.00 0.00 N ATOM 0 H1 GLN A 1 1.084 2.493 -3.560 1.00 0.00 H new ATOM 0 H2 GLN A 1 2.526 3.153 -4.166 1.00 0.00 H new ATOM 0 H3 GLN A 1 2.068 1.576 -4.596 1.00 0.00 H new ATOM 0 HA GLN A 1 2.791 2.522 -1.905 1.00 0.00 H new ATOM 0 HB2 GLN A 1 1.118 0.409 -2.616 1.00 0.00 H new ATOM 0 HB3 GLN A 1 2.675 -0.374 -2.434 1.00 0.00 H new ATOM 0 HG2 GLN A 1 2.359 -0.404 -0.221 1.00 0.00 H new ATOM 0 HG3 GLN A 1 2.467 1.345 -0.210 1.00 0.00 H new ATOM 0 HE21 GLN A 1 0.866 -0.435 1.499 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -0.817 0.053 1.275 1.00 0.00 H new ATOM 18 N ASP A 2 5.161 1.851 -2.191 1.00 0.00 N ATOM 19 CA ASP A 2 6.580 1.608 -2.423 1.00 0.00 C ATOM 20 C ASP A 2 7.153 0.674 -1.362 1.00 0.00 C ATOM 21 O ASP A 2 8.338 0.739 -1.036 1.00 0.00 O ATOM 22 CB ASP A 2 7.352 2.928 -2.429 1.00 0.00 C ATOM 23 CG ASP A 2 6.599 4.037 -3.137 1.00 0.00 C ATOM 24 OD1 ASP A 2 6.686 4.112 -4.380 1.00 0.00 O ATOM 25 OD2 ASP A 2 5.922 4.829 -2.448 1.00 0.00 O ATOM 0 H ASP A 2 4.955 2.357 -1.329 1.00 0.00 H new ATOM 0 HA ASP A 2 6.686 1.130 -3.397 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.557 3.230 -1.402 1.00 0.00 H new ATOM 0 HB3 ASP A 2 8.316 2.779 -2.916 1.00 0.00 H new ATOM 30 N LYS A 3 6.302 -0.194 -0.824 1.00 0.00 N ATOM 31 CA LYS A 3 6.722 -1.142 0.201 1.00 0.00 C ATOM 32 C LYS A 3 7.514 -2.292 -0.413 1.00 0.00 C ATOM 33 O LYS A 3 8.305 -2.947 0.267 1.00 0.00 O ATOM 34 CB LYS A 3 5.503 -1.689 0.948 1.00 0.00 C ATOM 35 CG LYS A 3 5.828 -2.847 1.876 1.00 0.00 C ATOM 36 CD LYS A 3 5.100 -2.719 3.203 1.00 0.00 C ATOM 37 CE LYS A 3 6.067 -2.441 4.345 1.00 0.00 C ATOM 38 NZ LYS A 3 6.655 -3.695 4.892 1.00 0.00 N ATOM 0 H LYS A 3 5.317 -0.260 -1.081 1.00 0.00 H new ATOM 0 HA LYS A 3 7.367 -0.616 0.905 1.00 0.00 H new ATOM 0 HB2 LYS A 3 5.052 -0.884 1.529 1.00 0.00 H new ATOM 0 HB3 LYS A 3 4.758 -2.014 0.222 1.00 0.00 H new ATOM 0 HG2 LYS A 3 5.552 -3.787 1.397 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.903 -2.883 2.052 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.367 -1.914 3.141 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.549 -3.637 3.407 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.866 -1.788 3.993 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.546 -1.907 5.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.308 -3.463 5.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.895 -4.307 5.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.174 -4.192 4.140 1.00 0.00 H new ATOM 52 N CYS A 4 7.297 -2.532 -1.701 1.00 0.00 N ATOM 53 CA CYS A 4 7.991 -3.603 -2.408 1.00 0.00 C ATOM 54 C CYS A 4 8.678 -3.071 -3.662 1.00 0.00 C ATOM 55 O CYS A 4 8.105 -2.276 -4.408 1.00 0.00 O ATOM 56 CB CYS A 4 7.009 -4.714 -2.783 1.00 0.00 C ATOM 57 SG CYS A 4 5.399 -4.112 -3.386 1.00 0.00 S ATOM 0 H CYS A 4 6.646 -1.999 -2.278 1.00 0.00 H new ATOM 0 HA CYS A 4 8.753 -4.010 -1.743 1.00 0.00 H new ATOM 0 HB2 CYS A 4 7.462 -5.340 -3.552 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.845 -5.348 -1.912 1.00 0.00 H new ATOM 62 N LYS A 5 9.909 -3.515 -3.889 1.00 0.00 N ATOM 63 CA LYS A 5 10.675 -3.086 -5.053 1.00 0.00 C ATOM 64 C LYS A 5 11.922 -3.947 -5.232 1.00 0.00 C ATOM 65 O LYS A 5 12.231 -4.792 -4.392 1.00 0.00 O ATOM 66 CB LYS A 5 11.074 -1.615 -4.914 1.00 0.00 C ATOM 67 CG LYS A 5 11.801 -1.303 -3.617 1.00 0.00 C ATOM 68 CD LYS A 5 13.272 -1.674 -3.699 1.00 0.00 C ATOM 69 CE LYS A 5 14.164 -0.513 -3.287 1.00 0.00 C ATOM 70 NZ LYS A 5 15.474 -0.982 -2.755 1.00 0.00 N ATOM 0 H LYS A 5 10.398 -4.172 -3.282 1.00 0.00 H new ATOM 0 HA LYS A 5 10.044 -3.203 -5.934 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.712 -1.339 -5.754 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.179 -0.997 -4.977 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.705 -0.241 -3.391 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.333 -1.847 -2.797 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.468 -2.531 -3.055 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.515 -1.978 -4.717 1.00 0.00 H new ATOM 0 HE2 LYS A 5 14.332 0.138 -4.145 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.657 0.084 -2.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 16.053 -0.161 -2.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 15.315 -1.583 -1.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.970 -1.530 -3.487 1.00 0.00 H new ATOM 84 N LYS A 6 12.636 -3.726 -6.330 1.00 0.00 N ATOM 85 CA LYS A 6 13.851 -4.479 -6.618 1.00 0.00 C ATOM 86 C LYS A 6 14.864 -3.614 -7.362 1.00 0.00 C ATOM 87 O LYS A 6 14.635 -3.215 -8.503 1.00 0.00 O ATOM 88 CB LYS A 6 13.520 -5.722 -7.447 1.00 0.00 C ATOM 89 CG LYS A 6 12.782 -6.795 -6.665 1.00 0.00 C ATOM 90 CD LYS A 6 12.703 -8.098 -7.444 1.00 0.00 C ATOM 91 CE LYS A 6 11.629 -9.018 -6.885 1.00 0.00 C ATOM 92 NZ LYS A 6 12.152 -9.878 -5.788 1.00 0.00 N ATOM 0 H LYS A 6 12.394 -3.031 -7.036 1.00 0.00 H new ATOM 0 HA LYS A 6 14.291 -4.788 -5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.914 -5.427 -8.303 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.445 -6.143 -7.841 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.289 -6.968 -5.715 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.775 -6.448 -6.431 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.491 -7.884 -8.492 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.669 -8.602 -7.410 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.797 -8.421 -6.513 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.237 -9.647 -7.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.390 -10.490 -5.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.930 -10.467 -6.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.502 -9.278 -5.014 1.00 0.00 H new ATOM 106 N VAL A 7 15.985 -3.329 -6.707 1.00 0.00 N ATOM 107 CA VAL A 7 17.035 -2.514 -7.308 1.00 0.00 C ATOM 108 C VAL A 7 17.810 -3.302 -8.358 1.00 0.00 C ATOM 109 O VAL A 7 18.046 -4.500 -8.201 1.00 0.00 O ATOM 110 CB VAL A 7 18.018 -1.993 -6.243 1.00 0.00 C ATOM 111 CG1 VAL A 7 18.848 -3.135 -5.677 1.00 0.00 C ATOM 112 CG2 VAL A 7 18.914 -0.912 -6.830 1.00 0.00 C ATOM 0 H VAL A 7 16.190 -3.650 -5.761 1.00 0.00 H new ATOM 0 HA VAL A 7 16.544 -1.666 -7.785 1.00 0.00 H new ATOM 0 HB VAL A 7 17.444 -1.555 -5.427 1.00 0.00 H new ATOM 0 HG11 VAL A 7 19.537 -2.747 -4.926 1.00 0.00 H new ATOM 0 HG12 VAL A 7 18.188 -3.872 -5.218 1.00 0.00 H new ATOM 0 HG13 VAL A 7 19.415 -3.606 -6.480 1.00 0.00 H new ATOM 0 HG21 VAL A 7 19.603 -0.555 -6.064 1.00 0.00 H new ATOM 0 HG22 VAL A 7 19.481 -1.323 -7.665 1.00 0.00 H new ATOM 0 HG23 VAL A 7 18.301 -0.083 -7.182 1.00 0.00 H new ATOM 122 N TYR A 8 18.203 -2.621 -9.429 1.00 0.00 N ATOM 123 CA TYR A 8 18.950 -3.258 -10.507 1.00 0.00 C ATOM 124 C TYR A 8 20.367 -2.699 -10.591 1.00 0.00 C ATOM 125 O TYR A 8 20.609 -1.692 -11.256 1.00 0.00 O ATOM 126 CB TYR A 8 18.230 -3.058 -11.841 1.00 0.00 C ATOM 127 CG TYR A 8 18.557 -4.117 -12.870 1.00 0.00 C ATOM 128 CD1 TYR A 8 18.605 -5.461 -12.521 1.00 0.00 C ATOM 129 CD2 TYR A 8 18.817 -3.774 -14.191 1.00 0.00 C ATOM 130 CE1 TYR A 8 18.903 -6.432 -13.458 1.00 0.00 C ATOM 131 CE2 TYR A 8 19.116 -4.738 -15.134 1.00 0.00 C ATOM 132 CZ TYR A 8 19.158 -6.065 -14.763 1.00 0.00 C ATOM 133 OH TYR A 8 19.455 -7.029 -15.699 1.00 0.00 O ATOM 0 H TYR A 8 18.017 -1.629 -9.574 1.00 0.00 H new ATOM 0 HA TYR A 8 19.012 -4.325 -10.292 1.00 0.00 H new ATOM 0 HB2 TYR A 8 17.154 -3.053 -11.666 1.00 0.00 H new ATOM 0 HB3 TYR A 8 18.492 -2.079 -12.243 1.00 0.00 H new ATOM 0 HD1 TYR A 8 18.406 -5.752 -11.500 1.00 0.00 H new ATOM 0 HD2 TYR A 8 18.785 -2.735 -14.486 1.00 0.00 H new ATOM 0 HE1 TYR A 8 18.936 -7.472 -13.170 1.00 0.00 H new ATOM 0 HE2 TYR A 8 19.316 -4.454 -16.157 1.00 0.00 H new ATOM 0 HH TYR A 8 19.607 -6.604 -16.569 1.00 0.00 H new ATOM 143 N GLU A 9 21.299 -3.361 -9.913 1.00 0.00 N ATOM 144 CA GLU A 9 22.692 -2.931 -9.911 1.00 0.00 C ATOM 145 C GLU A 9 23.341 -3.180 -11.270 1.00 0.00 C ATOM 146 O GLU A 9 24.461 -2.740 -11.525 1.00 0.00 O ATOM 147 CB GLU A 9 23.474 -3.663 -8.819 1.00 0.00 C ATOM 148 CG GLU A 9 22.760 -3.697 -7.478 1.00 0.00 C ATOM 149 CD GLU A 9 23.677 -4.095 -6.338 1.00 0.00 C ATOM 150 OE1 GLU A 9 24.729 -3.444 -6.167 1.00 0.00 O ATOM 151 OE2 GLU A 9 23.343 -5.058 -5.617 1.00 0.00 O ATOM 0 H GLU A 9 21.115 -4.197 -9.358 1.00 0.00 H new ATOM 0 HA GLU A 9 22.714 -1.860 -9.708 1.00 0.00 H new ATOM 0 HB2 GLU A 9 23.666 -4.685 -9.145 1.00 0.00 H new ATOM 0 HB3 GLU A 9 24.443 -3.181 -8.693 1.00 0.00 H new ATOM 0 HG2 GLU A 9 22.336 -2.714 -7.272 1.00 0.00 H new ATOM 0 HG3 GLU A 9 21.928 -4.399 -7.532 1.00 0.00 H new ATOM 158 N ASN A 10 22.627 -3.890 -12.138 1.00 0.00 N ATOM 159 CA ASN A 10 23.133 -4.199 -13.471 1.00 0.00 C ATOM 160 C ASN A 10 22.594 -3.211 -14.500 1.00 0.00 C ATOM 161 O ASN A 10 22.147 -3.603 -15.579 1.00 0.00 O ATOM 162 CB ASN A 10 22.747 -5.626 -13.866 1.00 0.00 C ATOM 163 CG ASN A 10 23.076 -6.635 -12.783 1.00 0.00 C ATOM 164 OD1 ASN A 10 22.266 -7.505 -12.463 1.00 0.00 O ATOM 165 ND2 ASN A 10 24.270 -6.523 -12.213 1.00 0.00 N ATOM 0 H ASN A 10 21.697 -4.262 -11.943 1.00 0.00 H new ATOM 0 HA ASN A 10 24.220 -4.116 -13.449 1.00 0.00 H new ATOM 0 HB2 ASN A 10 21.679 -5.664 -14.082 1.00 0.00 H new ATOM 0 HB3 ASN A 10 23.268 -5.899 -14.784 1.00 0.00 H new ATOM 0 HD21 ASN A 10 24.547 -7.174 -11.478 1.00 0.00 H new ATOM 0 HD22 ASN A 10 24.910 -5.786 -12.510 1.00 0.00 H new ATOM 172 N TYR A 11 22.639 -1.927 -14.160 1.00 0.00 N ATOM 173 CA TYR A 11 22.154 -0.882 -15.054 1.00 0.00 C ATOM 174 C TYR A 11 22.934 0.413 -14.851 1.00 0.00 C ATOM 175 O TYR A 11 23.301 0.779 -13.735 1.00 0.00 O ATOM 176 CB TYR A 11 20.663 -0.635 -14.821 1.00 0.00 C ATOM 177 CG TYR A 11 19.850 -0.588 -16.095 1.00 0.00 C ATOM 178 CD1 TYR A 11 19.657 -1.731 -16.861 1.00 0.00 C ATOM 179 CD2 TYR A 11 19.277 0.599 -16.534 1.00 0.00 C ATOM 180 CE1 TYR A 11 18.916 -1.693 -18.026 1.00 0.00 C ATOM 181 CE2 TYR A 11 18.533 0.646 -17.697 1.00 0.00 C ATOM 182 CZ TYR A 11 18.355 -0.502 -18.440 1.00 0.00 C ATOM 183 OH TYR A 11 17.616 -0.459 -19.600 1.00 0.00 O ATOM 0 H TYR A 11 23.006 -1.585 -13.272 1.00 0.00 H new ATOM 0 HA TYR A 11 22.304 -1.218 -16.080 1.00 0.00 H new ATOM 0 HB2 TYR A 11 20.269 -1.422 -14.178 1.00 0.00 H new ATOM 0 HB3 TYR A 11 20.539 0.306 -14.286 1.00 0.00 H new ATOM 0 HD1 TYR A 11 20.094 -2.665 -16.540 1.00 0.00 H new ATOM 0 HD2 TYR A 11 19.416 1.501 -15.956 1.00 0.00 H new ATOM 0 HE1 TYR A 11 18.776 -2.591 -18.610 1.00 0.00 H new ATOM 0 HE2 TYR A 11 18.093 1.577 -18.023 1.00 0.00 H new ATOM 0 HH TYR A 11 17.291 0.454 -19.747 1.00 0.00 H new ATOM 193 N PRO A 12 23.194 1.125 -15.958 1.00 0.00 N ATOM 194 CA PRO A 12 23.932 2.391 -15.930 1.00 0.00 C ATOM 195 C PRO A 12 23.132 3.514 -15.277 1.00 0.00 C ATOM 196 O PRO A 12 22.017 3.822 -15.700 1.00 0.00 O ATOM 197 CB PRO A 12 24.171 2.696 -17.410 1.00 0.00 C ATOM 198 CG PRO A 12 23.072 1.988 -18.125 1.00 0.00 C ATOM 199 CD PRO A 12 22.787 0.748 -17.323 1.00 0.00 C ATOM 0 HA PRO A 12 24.848 2.316 -15.343 1.00 0.00 H new ATOM 0 HB2 PRO A 12 24.142 3.768 -17.603 1.00 0.00 H new ATOM 0 HB3 PRO A 12 25.149 2.340 -17.735 1.00 0.00 H new ATOM 0 HG2 PRO A 12 22.185 2.618 -18.198 1.00 0.00 H new ATOM 0 HG3 PRO A 12 23.368 1.735 -19.143 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.733 0.474 -17.367 1.00 0.00 H new ATOM 0 HD3 PRO A 12 23.354 -0.107 -17.690 1.00 0.00 H new ATOM 207 N VAL A 13 23.707 4.122 -14.245 1.00 0.00 N ATOM 208 CA VAL A 13 23.048 5.212 -13.535 1.00 0.00 C ATOM 209 C VAL A 13 22.774 6.388 -14.466 1.00 0.00 C ATOM 210 O VAL A 13 21.941 7.244 -14.172 1.00 0.00 O ATOM 211 CB VAL A 13 23.895 5.700 -12.345 1.00 0.00 C ATOM 212 CG1 VAL A 13 24.322 4.526 -11.476 1.00 0.00 C ATOM 213 CG2 VAL A 13 25.106 6.477 -12.837 1.00 0.00 C ATOM 0 H VAL A 13 24.628 3.878 -13.881 1.00 0.00 H new ATOM 0 HA VAL A 13 22.102 4.820 -13.161 1.00 0.00 H new ATOM 0 HB VAL A 13 23.285 6.368 -11.737 1.00 0.00 H new ATOM 0 HG11 VAL A 13 24.920 4.890 -10.640 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.438 4.015 -11.094 1.00 0.00 H new ATOM 0 HG13 VAL A 13 24.915 3.830 -12.070 1.00 0.00 H new ATOM 0 HG21 VAL A 13 25.693 6.814 -11.983 1.00 0.00 H new ATOM 0 HG22 VAL A 13 25.719 5.834 -13.468 1.00 0.00 H new ATOM 0 HG23 VAL A 13 24.775 7.341 -13.413 1.00 0.00 H new ATOM 223 N SER A 14 23.482 6.422 -15.591 1.00 0.00 N ATOM 224 CA SER A 14 23.317 7.495 -16.565 1.00 0.00 C ATOM 225 C SER A 14 21.924 7.458 -17.185 1.00 0.00 C ATOM 226 O SER A 14 21.211 8.462 -17.201 1.00 0.00 O ATOM 227 CB SER A 14 24.379 7.384 -17.661 1.00 0.00 C ATOM 228 OG SER A 14 25.209 8.532 -17.685 1.00 0.00 O ATOM 0 H SER A 14 24.175 5.720 -15.850 1.00 0.00 H new ATOM 0 HA SER A 14 23.438 8.446 -16.046 1.00 0.00 H new ATOM 0 HB2 SER A 14 24.987 6.495 -17.494 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.895 7.261 -18.630 1.00 0.00 H new ATOM 0 HG SER A 14 25.880 8.436 -18.393 1.00 0.00 H new ATOM 234 N LYS A 15 21.541 6.292 -17.694 1.00 0.00 N ATOM 235 CA LYS A 15 20.233 6.120 -18.314 1.00 0.00 C ATOM 236 C LYS A 15 19.115 6.425 -17.321 1.00 0.00 C ATOM 237 O LYS A 15 17.981 6.702 -17.713 1.00 0.00 O ATOM 238 CB LYS A 15 20.081 4.693 -18.846 1.00 0.00 C ATOM 239 CG LYS A 15 20.226 4.588 -20.355 1.00 0.00 C ATOM 240 CD LYS A 15 19.555 3.336 -20.894 1.00 0.00 C ATOM 241 CE LYS A 15 20.527 2.484 -21.695 1.00 0.00 C ATOM 242 NZ LYS A 15 21.175 3.261 -22.788 1.00 0.00 N ATOM 0 H LYS A 15 22.119 5.451 -17.689 1.00 0.00 H new ATOM 0 HA LYS A 15 20.158 6.821 -19.145 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.828 4.056 -18.372 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.103 4.308 -18.556 1.00 0.00 H new ATOM 0 HG2 LYS A 15 19.788 5.468 -20.826 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.283 4.578 -20.620 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.154 2.751 -20.066 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.711 3.617 -21.524 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.293 2.084 -21.030 1.00 0.00 H new ATOM 0 HE3 LYS A 15 19.997 1.631 -22.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.385 2.628 -23.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 20.534 4.016 -23.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 22.059 3.681 -22.438 1.00 0.00 H new ATOM 256 N CYS A 16 19.443 6.373 -16.035 1.00 0.00 N ATOM 257 CA CYS A 16 18.468 6.644 -14.985 1.00 0.00 C ATOM 258 C CYS A 16 18.226 8.144 -14.842 1.00 0.00 C ATOM 259 O CYS A 16 17.085 8.604 -14.873 1.00 0.00 O ATOM 260 CB CYS A 16 18.947 6.065 -13.653 1.00 0.00 C ATOM 261 SG CYS A 16 18.362 4.371 -13.325 1.00 0.00 S ATOM 0 H CYS A 16 20.377 6.146 -15.694 1.00 0.00 H new ATOM 0 HA CYS A 16 17.529 6.167 -15.264 1.00 0.00 H new ATOM 0 HB2 CYS A 16 20.037 6.071 -13.637 1.00 0.00 H new ATOM 0 HB3 CYS A 16 18.613 6.716 -12.845 1.00 0.00 H new ATOM 266 N GLN A 17 19.308 8.900 -14.686 1.00 0.00 N ATOM 267 CA GLN A 17 19.213 10.348 -14.538 1.00 0.00 C ATOM 268 C GLN A 17 18.652 10.989 -15.803 1.00 0.00 C ATOM 269 O GLN A 17 18.239 12.149 -15.792 1.00 0.00 O ATOM 270 CB GLN A 17 20.587 10.940 -14.218 1.00 0.00 C ATOM 271 CG GLN A 17 21.137 10.506 -12.869 1.00 0.00 C ATOM 272 CD GLN A 17 22.432 9.726 -12.990 1.00 0.00 C ATOM 273 OE1 GLN A 17 23.210 9.934 -13.922 1.00 0.00 O ATOM 274 NE2 GLN A 17 22.671 8.824 -12.046 1.00 0.00 N ATOM 0 H GLN A 17 20.260 8.534 -14.659 1.00 0.00 H new ATOM 0 HA GLN A 17 18.533 10.560 -13.713 1.00 0.00 H new ATOM 0 HB2 GLN A 17 21.290 10.648 -14.998 1.00 0.00 H new ATOM 0 HB3 GLN A 17 20.519 12.028 -14.240 1.00 0.00 H new ATOM 0 HG2 GLN A 17 21.304 11.387 -12.249 1.00 0.00 H new ATOM 0 HG3 GLN A 17 20.394 9.893 -12.358 1.00 0.00 H new ATOM 0 HE21 GLN A 17 21.999 8.685 -11.292 1.00 0.00 H new ATOM 0 HE22 GLN A 17 23.527 8.270 -12.075 1.00 0.00 H new ATOM 283 N LEU A 18 18.640 10.227 -16.891 1.00 0.00 N ATOM 284 CA LEU A 18 18.130 10.721 -18.165 1.00 0.00 C ATOM 285 C LEU A 18 16.622 10.941 -18.099 1.00 0.00 C ATOM 286 O LEU A 18 15.840 10.062 -18.461 1.00 0.00 O ATOM 287 CB LEU A 18 18.465 9.736 -19.287 1.00 0.00 C ATOM 288 CG LEU A 18 19.718 10.051 -20.104 1.00 0.00 C ATOM 289 CD1 LEU A 18 20.227 8.800 -20.804 1.00 0.00 C ATOM 290 CD2 LEU A 18 19.433 11.152 -21.116 1.00 0.00 C ATOM 0 H LEU A 18 18.978 9.265 -16.916 1.00 0.00 H new ATOM 0 HA LEU A 18 18.609 11.677 -18.374 1.00 0.00 H new ATOM 0 HB2 LEU A 18 18.580 8.744 -18.850 1.00 0.00 H new ATOM 0 HB3 LEU A 18 17.615 9.688 -19.967 1.00 0.00 H new ATOM 0 HG LEU A 18 20.493 10.403 -19.423 1.00 0.00 H new ATOM 0 HD11 LEU A 18 21.119 9.043 -21.381 1.00 0.00 H new ATOM 0 HD12 LEU A 18 20.471 8.041 -20.061 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.456 8.418 -21.473 1.00 0.00 H new ATOM 0 HD21 LEU A 18 20.336 11.363 -21.688 1.00 0.00 H new ATOM 0 HD22 LEU A 18 18.642 10.828 -21.793 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.116 12.054 -20.593 1.00 0.00 H new ATOM 302 N ARG A 19 16.221 12.121 -17.637 1.00 0.00 N ATOM 303 CA ARG A 19 14.807 12.457 -17.525 1.00 0.00 C ATOM 304 C ARG A 19 14.154 12.529 -18.903 1.00 0.00 C ATOM 305 O ARG A 19 12.940 12.372 -19.034 1.00 0.00 O ATOM 306 CB ARG A 19 14.634 13.791 -16.797 1.00 0.00 C ATOM 307 CG ARG A 19 15.178 13.786 -15.378 1.00 0.00 C ATOM 308 CD ARG A 19 14.156 14.320 -14.387 1.00 0.00 C ATOM 309 NE ARG A 19 13.360 13.250 -13.792 1.00 0.00 N ATOM 310 CZ ARG A 19 13.789 12.480 -12.798 1.00 0.00 C ATOM 311 NH1 ARG A 19 15.001 12.661 -12.291 1.00 0.00 N ATOM 312 NH2 ARG A 19 13.005 11.527 -12.309 1.00 0.00 N ATOM 0 H ARG A 19 16.855 12.860 -17.334 1.00 0.00 H new ATOM 0 HA ARG A 19 14.317 11.671 -16.950 1.00 0.00 H new ATOM 0 HB2 ARG A 19 15.135 14.574 -17.366 1.00 0.00 H new ATOM 0 HB3 ARG A 19 13.575 14.046 -16.770 1.00 0.00 H new ATOM 0 HG2 ARG A 19 15.461 12.771 -15.099 1.00 0.00 H new ATOM 0 HG3 ARG A 19 16.082 14.393 -15.332 1.00 0.00 H new ATOM 0 HD2 ARG A 19 14.669 14.871 -13.599 1.00 0.00 H new ATOM 0 HD3 ARG A 19 13.496 15.025 -14.892 1.00 0.00 H new ATOM 0 HE ARG A 19 12.423 13.085 -14.160 1.00 0.00 H new ATOM 0 HH11 ARG A 19 15.606 13.393 -12.664 1.00 0.00 H new ATOM 0 HH12 ARG A 19 15.328 12.069 -11.528 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.072 11.385 -12.696 1.00 0.00 H new ATOM 0 HH22 ARG A 19 13.335 10.936 -11.546 1.00 0.00 H new ATOM 326 N ILE A 20 14.968 12.767 -19.925 1.00 0.00 N ATOM 327 CA ILE A 20 14.470 12.859 -21.292 1.00 0.00 C ATOM 328 C ILE A 20 14.228 11.475 -21.883 1.00 0.00 C ATOM 329 O ILE A 20 13.358 11.296 -22.735 1.00 0.00 O ATOM 330 CB ILE A 20 15.450 13.628 -22.198 1.00 0.00 C ATOM 331 CG1 ILE A 20 15.943 14.894 -21.495 1.00 0.00 C ATOM 332 CG2 ILE A 20 14.786 13.975 -23.522 1.00 0.00 C ATOM 333 CD1 ILE A 20 16.912 15.708 -22.324 1.00 0.00 C ATOM 0 H ILE A 20 15.975 12.900 -19.833 1.00 0.00 H new ATOM 0 HA ILE A 20 13.526 13.403 -21.248 1.00 0.00 H new ATOM 0 HB ILE A 20 16.310 12.990 -22.401 1.00 0.00 H new ATOM 0 HG12 ILE A 20 15.085 15.516 -21.240 1.00 0.00 H new ATOM 0 HG13 ILE A 20 16.425 14.615 -20.558 1.00 0.00 H new ATOM 0 HG21 ILE A 20 15.491 14.518 -24.151 1.00 0.00 H new ATOM 0 HG22 ILE A 20 14.480 13.059 -24.027 1.00 0.00 H new ATOM 0 HG23 ILE A 20 13.910 14.597 -23.338 1.00 0.00 H new ATOM 0 HD11 ILE A 20 17.219 16.590 -21.763 1.00 0.00 H new ATOM 0 HD12 ILE A 20 17.788 15.103 -22.558 1.00 0.00 H new ATOM 0 HD13 ILE A 20 16.428 16.018 -23.250 1.00 0.00 H new ATOM 345 N ALA A 21 15.003 10.498 -21.424 1.00 0.00 N ATOM 346 CA ALA A 21 14.871 9.128 -21.905 1.00 0.00 C ATOM 347 C ALA A 21 15.148 8.126 -20.789 1.00 0.00 C ATOM 348 O ALA A 21 16.248 7.585 -20.687 1.00 0.00 O ATOM 349 CB ALA A 21 15.809 8.887 -23.078 1.00 0.00 C ATOM 0 H ALA A 21 15.729 10.630 -20.720 1.00 0.00 H new ATOM 0 HA ALA A 21 13.844 8.984 -22.241 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.699 7.860 -23.426 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.562 9.573 -23.888 1.00 0.00 H new ATOM 0 HB3 ALA A 21 16.838 9.055 -22.761 1.00 0.00 H new ATOM 355 N ASN A 22 14.143 7.884 -19.954 1.00 0.00 N ATOM 356 CA ASN A 22 14.280 6.947 -18.844 1.00 0.00 C ATOM 357 C ASN A 22 13.996 5.519 -19.300 1.00 0.00 C ATOM 358 O ASN A 22 12.866 5.041 -19.206 1.00 0.00 O ATOM 359 CB ASN A 22 13.330 7.330 -17.707 1.00 0.00 C ATOM 360 CG ASN A 22 13.926 7.056 -16.340 1.00 0.00 C ATOM 361 OD1 ASN A 22 15.132 7.198 -16.136 1.00 0.00 O ATOM 362 ND2 ASN A 22 13.081 6.660 -15.395 1.00 0.00 N ATOM 0 H ASN A 22 13.225 8.323 -20.024 1.00 0.00 H new ATOM 0 HA ASN A 22 15.307 6.997 -18.483 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.080 8.388 -17.786 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.398 6.774 -17.812 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.424 6.460 -14.455 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.089 6.556 -15.609 1.00 0.00 H new ATOM 369 N GLN A 23 15.029 4.845 -19.793 1.00 0.00 N ATOM 370 CA GLN A 23 14.891 3.471 -20.263 1.00 0.00 C ATOM 371 C GLN A 23 14.807 2.500 -19.091 1.00 0.00 C ATOM 372 O GLN A 23 14.626 1.297 -19.279 1.00 0.00 O ATOM 373 CB GLN A 23 16.067 3.098 -21.167 1.00 0.00 C ATOM 374 CG GLN A 23 15.662 2.800 -22.602 1.00 0.00 C ATOM 375 CD GLN A 23 15.177 1.376 -22.787 1.00 0.00 C ATOM 376 OE1 GLN A 23 15.878 0.421 -22.451 1.00 0.00 O ATOM 377 NE2 GLN A 23 13.972 1.226 -23.324 1.00 0.00 N ATOM 0 H GLN A 23 15.971 5.227 -19.878 1.00 0.00 H new ATOM 0 HA GLN A 23 13.966 3.401 -20.835 1.00 0.00 H new ATOM 0 HB2 GLN A 23 16.789 3.914 -21.164 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.571 2.225 -20.752 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.874 3.490 -22.904 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.512 2.979 -23.260 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.425 2.046 -23.588 1.00 0.00 H new ATOM 0 HE22 GLN A 23 13.593 0.291 -23.473 1.00 0.00 H new ATOM 386 N CYS A 24 14.941 3.030 -17.879 1.00 0.00 N ATOM 387 CA CYS A 24 14.881 2.211 -16.675 1.00 0.00 C ATOM 388 C CYS A 24 13.484 1.629 -16.482 1.00 0.00 C ATOM 389 O CYS A 24 13.297 0.413 -16.515 1.00 0.00 O ATOM 390 CB CYS A 24 15.275 3.039 -15.450 1.00 0.00 C ATOM 391 SG CYS A 24 14.805 2.283 -13.860 1.00 0.00 S ATOM 0 H CYS A 24 15.092 4.024 -17.706 1.00 0.00 H new ATOM 0 HA CYS A 24 15.585 1.387 -16.790 1.00 0.00 H new ATOM 0 HB2 CYS A 24 16.354 3.195 -15.461 1.00 0.00 H new ATOM 0 HB3 CYS A 24 14.810 4.022 -15.524 1.00 0.00 H new ATOM 396 N ASN A 25 12.506 2.506 -16.280 1.00 0.00 N ATOM 397 CA ASN A 25 11.126 2.079 -16.081 1.00 0.00 C ATOM 398 C ASN A 25 10.670 1.165 -17.214 1.00 0.00 C ATOM 399 O ASN A 25 9.950 0.191 -16.989 1.00 0.00 O ATOM 400 CB ASN A 25 10.202 3.296 -15.990 1.00 0.00 C ATOM 401 CG ASN A 25 9.986 3.960 -17.336 1.00 0.00 C ATOM 402 OD1 ASN A 25 9.218 3.471 -18.165 1.00 0.00 O ATOM 403 ND2 ASN A 25 10.665 5.079 -17.559 1.00 0.00 N ATOM 0 H ASN A 25 12.644 3.516 -16.250 1.00 0.00 H new ATOM 0 HA ASN A 25 11.076 1.521 -15.146 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.240 2.988 -15.581 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.627 4.020 -15.295 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.561 5.570 -18.447 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.290 5.447 -16.842 1.00 0.00 H new ATOM 410 N TYR A 26 11.095 1.484 -18.431 1.00 0.00 N ATOM 411 CA TYR A 26 10.729 0.692 -19.600 1.00 0.00 C ATOM 412 C TYR A 26 11.444 -0.656 -19.590 1.00 0.00 C ATOM 413 O TYR A 26 10.865 -1.680 -19.952 1.00 0.00 O ATOM 414 CB TYR A 26 11.069 1.453 -20.883 1.00 0.00 C ATOM 415 CG TYR A 26 10.016 1.323 -21.961 1.00 0.00 C ATOM 416 CD1 TYR A 26 9.950 0.189 -22.762 1.00 0.00 C ATOM 417 CD2 TYR A 26 9.088 2.333 -22.178 1.00 0.00 C ATOM 418 CE1 TYR A 26 8.991 0.066 -23.748 1.00 0.00 C ATOM 419 CE2 TYR A 26 8.124 2.218 -23.161 1.00 0.00 C ATOM 420 CZ TYR A 26 8.080 1.083 -23.943 1.00 0.00 C ATOM 421 OH TYR A 26 7.122 0.965 -24.924 1.00 0.00 O ATOM 0 H TYR A 26 11.693 2.285 -18.634 1.00 0.00 H new ATOM 0 HA TYR A 26 9.654 0.513 -19.565 1.00 0.00 H new ATOM 0 HB2 TYR A 26 11.205 2.508 -20.645 1.00 0.00 H new ATOM 0 HB3 TYR A 26 12.021 1.089 -21.270 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.661 -0.610 -22.611 1.00 0.00 H new ATOM 0 HD2 TYR A 26 9.120 3.224 -21.568 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.955 -0.821 -24.363 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.409 3.012 -23.316 1.00 0.00 H new ATOM 0 HH TYR A 26 6.559 1.767 -24.930 1.00 0.00 H new ATOM 431 N ASP A 27 12.705 -0.646 -19.173 1.00 0.00 N ATOM 432 CA ASP A 27 13.499 -1.867 -19.113 1.00 0.00 C ATOM 433 C ASP A 27 12.948 -2.824 -18.060 1.00 0.00 C ATOM 434 O ASP A 27 12.877 -4.033 -18.281 1.00 0.00 O ATOM 435 CB ASP A 27 14.960 -1.536 -18.804 1.00 0.00 C ATOM 436 CG ASP A 27 15.747 -2.752 -18.354 1.00 0.00 C ATOM 437 OD1 ASP A 27 15.886 -3.699 -19.156 1.00 0.00 O ATOM 438 OD2 ASP A 27 16.225 -2.755 -17.200 1.00 0.00 O ATOM 0 H ASP A 27 13.199 0.194 -18.872 1.00 0.00 H new ATOM 0 HA ASP A 27 13.443 -2.355 -20.086 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.429 -1.112 -19.692 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.000 -0.773 -18.027 1.00 0.00 H new ATOM 443 N CYS A 28 12.560 -2.274 -16.914 1.00 0.00 N ATOM 444 CA CYS A 28 12.016 -3.077 -15.826 1.00 0.00 C ATOM 445 C CYS A 28 10.843 -3.926 -16.309 1.00 0.00 C ATOM 446 O CYS A 28 10.873 -5.153 -16.222 1.00 0.00 O ATOM 447 CB CYS A 28 11.567 -2.176 -14.674 1.00 0.00 C ATOM 448 SG CYS A 28 12.915 -1.668 -13.558 1.00 0.00 S ATOM 0 H CYS A 28 12.612 -1.275 -16.715 1.00 0.00 H new ATOM 0 HA CYS A 28 12.803 -3.744 -15.472 1.00 0.00 H new ATOM 0 HB2 CYS A 28 11.096 -1.284 -15.087 1.00 0.00 H new ATOM 0 HB3 CYS A 28 10.807 -2.698 -14.094 1.00 0.00 H new ATOM 453 N LYS A 29 9.811 -3.262 -16.819 1.00 0.00 N ATOM 454 CA LYS A 29 8.628 -3.954 -17.318 1.00 0.00 C ATOM 455 C LYS A 29 8.983 -4.862 -18.491 1.00 0.00 C ATOM 456 O LYS A 29 8.347 -5.895 -18.704 1.00 0.00 O ATOM 457 CB LYS A 29 7.564 -2.941 -17.747 1.00 0.00 C ATOM 458 CG LYS A 29 7.242 -1.908 -16.681 1.00 0.00 C ATOM 459 CD LYS A 29 6.611 -0.664 -17.283 1.00 0.00 C ATOM 460 CE LYS A 29 5.152 -0.897 -17.642 1.00 0.00 C ATOM 461 NZ LYS A 29 4.236 -0.070 -16.809 1.00 0.00 N ATOM 0 H LYS A 29 9.770 -2.246 -16.898 1.00 0.00 H new ATOM 0 HA LYS A 29 8.231 -4.571 -16.512 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.904 -2.428 -18.647 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.651 -3.475 -18.011 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.564 -2.342 -15.946 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.154 -1.634 -16.151 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.685 0.162 -16.575 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.164 -0.370 -18.175 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.996 -0.663 -18.695 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.910 -1.952 -17.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.268 -0.141 -17.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.254 -0.414 -15.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.545 0.923 -16.834 1.00 0.00 H new ATOM 475 N LEU A 30 10.002 -4.471 -19.249 1.00 0.00 N ATOM 476 CA LEU A 30 10.443 -5.251 -20.400 1.00 0.00 C ATOM 477 C LEU A 30 10.757 -6.688 -19.996 1.00 0.00 C ATOM 478 O LEU A 30 10.249 -7.637 -20.594 1.00 0.00 O ATOM 479 CB LEU A 30 11.676 -4.607 -21.036 1.00 0.00 C ATOM 480 CG LEU A 30 12.014 -5.061 -22.456 1.00 0.00 C ATOM 481 CD1 LEU A 30 12.423 -3.874 -23.313 1.00 0.00 C ATOM 482 CD2 LEU A 30 13.117 -6.109 -22.432 1.00 0.00 C ATOM 0 H LEU A 30 10.538 -3.619 -19.087 1.00 0.00 H new ATOM 0 HA LEU A 30 9.633 -5.267 -21.129 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.532 -3.527 -21.046 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.536 -4.808 -20.397 1.00 0.00 H new ATOM 0 HG LEU A 30 11.123 -5.510 -22.895 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.660 -4.217 -24.320 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.603 -3.157 -23.357 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.300 -3.395 -22.877 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.345 -6.421 -23.451 1.00 0.00 H new ATOM 0 HD22 LEU A 30 14.011 -5.686 -21.974 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.786 -6.972 -21.854 1.00 0.00 H new ATOM 494 N ASP A 31 11.596 -6.840 -18.977 1.00 0.00 N ATOM 495 CA ASP A 31 11.976 -8.162 -18.491 1.00 0.00 C ATOM 496 C ASP A 31 11.329 -8.450 -17.140 1.00 0.00 C ATOM 497 O ASP A 31 10.440 -9.295 -17.032 1.00 0.00 O ATOM 498 CB ASP A 31 13.497 -8.268 -18.375 1.00 0.00 C ATOM 499 CG ASP A 31 14.111 -9.053 -19.518 1.00 0.00 C ATOM 500 OD1 ASP A 31 13.748 -10.235 -19.689 1.00 0.00 O ATOM 501 OD2 ASP A 31 14.954 -8.484 -20.242 1.00 0.00 O ATOM 0 H ASP A 31 12.026 -6.065 -18.472 1.00 0.00 H new ATOM 0 HA ASP A 31 11.622 -8.902 -19.209 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.928 -7.267 -18.353 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.754 -8.746 -17.430 1.00 0.00 H new ATOM 506 N LYS A 32 11.782 -7.743 -16.110 1.00 0.00 N ATOM 507 CA LYS A 32 11.248 -7.921 -14.765 1.00 0.00 C ATOM 508 C LYS A 32 9.723 -7.895 -14.776 1.00 0.00 C ATOM 509 O LYS A 32 9.075 -8.568 -13.974 1.00 0.00 O ATOM 510 CB LYS A 32 11.781 -6.830 -13.834 1.00 0.00 C ATOM 511 CG LYS A 32 13.293 -6.692 -13.860 1.00 0.00 C ATOM 512 CD LYS A 32 13.858 -6.475 -12.466 1.00 0.00 C ATOM 513 CE LYS A 32 15.328 -6.087 -12.515 1.00 0.00 C ATOM 514 NZ LYS A 32 15.824 -5.627 -11.189 1.00 0.00 N ATOM 0 H LYS A 32 12.518 -7.041 -16.181 1.00 0.00 H new ATOM 0 HA LYS A 32 11.574 -8.894 -14.398 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.333 -5.876 -14.112 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.462 -7.047 -12.814 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.733 -7.588 -14.296 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.572 -5.855 -14.501 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.291 -5.694 -11.960 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.740 -7.386 -11.879 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.918 -6.941 -12.847 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.470 -5.295 -13.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 16.742 -5.153 -11.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.141 -4.960 -10.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.935 -6.445 -10.557 1.00 0.00 H new ATOM 528 N HIS A 33 9.157 -7.114 -15.691 1.00 0.00 N ATOM 529 CA HIS A 33 7.707 -7.002 -15.808 1.00 0.00 C ATOM 530 C HIS A 33 7.111 -6.345 -14.567 1.00 0.00 C ATOM 531 O HIS A 33 5.995 -6.665 -14.159 1.00 0.00 O ATOM 532 CB HIS A 33 7.083 -8.382 -16.018 1.00 0.00 C ATOM 533 CG HIS A 33 5.805 -8.350 -16.798 1.00 0.00 C ATOM 534 ND1 HIS A 33 4.695 -9.094 -16.457 1.00 0.00 N ATOM 535 CD2 HIS A 33 5.463 -7.655 -17.908 1.00 0.00 C ATOM 536 CE1 HIS A 33 3.727 -8.859 -17.324 1.00 0.00 C ATOM 537 NE2 HIS A 33 4.167 -7.989 -18.215 1.00 0.00 N ATOM 0 H HIS A 33 9.679 -6.550 -16.361 1.00 0.00 H new ATOM 0 HA HIS A 33 7.484 -6.376 -16.672 1.00 0.00 H new ATOM 0 HB2 HIS A 33 7.799 -9.020 -16.536 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.894 -8.838 -15.046 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.093 -6.966 -18.451 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.743 -9.303 -17.307 1.00 0.00 H new ATOM 0 HE2 HIS A 33 3.631 -7.625 -19.003 1.00 0.00 H new ATOM 545 N ALA A 34 7.863 -5.425 -13.972 1.00 0.00 N ATOM 546 CA ALA A 34 7.409 -4.722 -12.779 1.00 0.00 C ATOM 547 C ALA A 34 6.118 -3.957 -13.051 1.00 0.00 C ATOM 548 O ALA A 34 5.497 -4.122 -14.100 1.00 0.00 O ATOM 549 CB ALA A 34 8.490 -3.776 -12.279 1.00 0.00 C ATOM 0 H ALA A 34 8.790 -5.149 -14.297 1.00 0.00 H new ATOM 0 HA ALA A 34 7.206 -5.463 -12.006 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.136 -3.258 -11.388 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.387 -4.345 -12.036 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.722 -3.046 -13.055 1.00 0.00 H new ATOM 555 N ARG A 35 5.720 -3.120 -12.098 1.00 0.00 N ATOM 556 CA ARG A 35 4.501 -2.331 -12.235 1.00 0.00 C ATOM 557 C ARG A 35 4.750 -1.091 -13.088 1.00 0.00 C ATOM 558 O ARG A 35 4.076 -0.872 -14.095 1.00 0.00 O ATOM 559 CB ARG A 35 3.978 -1.919 -10.857 1.00 0.00 C ATOM 560 CG ARG A 35 4.210 -2.965 -9.780 1.00 0.00 C ATOM 561 CD ARG A 35 3.747 -4.341 -10.231 1.00 0.00 C ATOM 562 NE ARG A 35 2.487 -4.281 -10.968 1.00 0.00 N ATOM 563 CZ ARG A 35 2.112 -5.193 -11.858 1.00 0.00 C ATOM 564 NH1 ARG A 35 2.895 -6.230 -12.120 1.00 0.00 N ATOM 565 NH2 ARG A 35 0.950 -5.068 -12.488 1.00 0.00 N ATOM 0 H ARG A 35 6.223 -2.971 -11.223 1.00 0.00 H new ATOM 0 HA ARG A 35 3.752 -2.948 -12.731 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.461 -0.989 -10.558 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.910 -1.715 -10.929 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.270 -3.001 -9.529 1.00 0.00 H new ATOM 0 HG3 ARG A 35 3.677 -2.680 -8.873 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.514 -4.793 -10.860 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.627 -4.986 -9.361 1.00 0.00 H new ATOM 0 HE ARG A 35 1.861 -3.496 -10.789 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.788 -6.329 -11.638 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.604 -6.929 -12.804 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.345 -4.271 -12.289 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.662 -5.769 -13.171 1.00 0.00 H new ATOM 579 N SER A 36 5.722 -0.281 -12.679 1.00 0.00 N ATOM 580 CA SER A 36 6.056 0.939 -13.403 1.00 0.00 C ATOM 581 C SER A 36 7.565 1.062 -13.593 1.00 0.00 C ATOM 582 O SER A 36 8.047 1.270 -14.705 1.00 0.00 O ATOM 583 CB SER A 36 5.524 2.163 -12.656 1.00 0.00 C ATOM 584 OG SER A 36 5.096 1.817 -11.349 1.00 0.00 O ATOM 0 H SER A 36 6.292 -0.448 -11.850 1.00 0.00 H new ATOM 0 HA SER A 36 5.586 0.889 -14.385 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.302 2.924 -12.598 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.693 2.599 -13.211 1.00 0.00 H new ATOM 0 HG SER A 36 4.762 2.617 -10.892 1.00 0.00 H new ATOM 590 N GLY A 37 8.306 0.931 -12.496 1.00 0.00 N ATOM 591 CA GLY A 37 9.752 1.030 -12.562 1.00 0.00 C ATOM 592 C GLY A 37 10.239 2.464 -12.484 1.00 0.00 C ATOM 593 O GLY A 37 9.717 3.341 -13.171 1.00 0.00 O ATOM 0 H GLY A 37 7.930 0.758 -11.564 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.190 0.456 -11.746 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.102 0.581 -13.491 1.00 0.00 H new ATOM 597 N GLU A 38 11.242 2.702 -11.645 1.00 0.00 N ATOM 598 CA GLU A 38 11.797 4.040 -11.479 1.00 0.00 C ATOM 599 C GLU A 38 13.226 3.974 -10.949 1.00 0.00 C ATOM 600 O GLU A 38 13.679 2.930 -10.480 1.00 0.00 O ATOM 601 CB GLU A 38 10.926 4.863 -10.527 1.00 0.00 C ATOM 602 CG GLU A 38 9.735 5.519 -11.205 1.00 0.00 C ATOM 603 CD GLU A 38 8.422 4.843 -10.861 1.00 0.00 C ATOM 604 OE1 GLU A 38 8.420 3.606 -10.686 1.00 0.00 O ATOM 605 OE2 GLU A 38 7.397 5.549 -10.766 1.00 0.00 O ATOM 0 H GLU A 38 11.687 1.986 -11.070 1.00 0.00 H new ATOM 0 HA GLU A 38 11.812 4.523 -12.456 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.567 4.217 -9.726 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.540 5.635 -10.062 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.687 6.568 -10.912 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.879 5.496 -12.285 1.00 0.00 H new ATOM 612 N CYS A 39 13.932 5.097 -11.028 1.00 0.00 N ATOM 613 CA CYS A 39 15.310 5.169 -10.558 1.00 0.00 C ATOM 614 C CYS A 39 15.408 6.002 -9.283 1.00 0.00 C ATOM 615 O CYS A 39 14.767 7.046 -9.160 1.00 0.00 O ATOM 616 CB CYS A 39 16.210 5.768 -11.641 1.00 0.00 C ATOM 617 SG CYS A 39 16.272 4.793 -13.179 1.00 0.00 S ATOM 0 H CYS A 39 13.572 5.970 -11.413 1.00 0.00 H new ATOM 0 HA CYS A 39 15.644 4.156 -10.336 1.00 0.00 H new ATOM 0 HB2 CYS A 39 15.860 6.773 -11.875 1.00 0.00 H new ATOM 0 HB3 CYS A 39 17.221 5.867 -11.245 1.00 0.00 H new ATOM 622 N PHE A 40 16.214 5.533 -8.336 1.00 0.00 N ATOM 623 CA PHE A 40 16.395 6.233 -7.070 1.00 0.00 C ATOM 624 C PHE A 40 17.773 5.943 -6.481 1.00 0.00 C ATOM 625 O PHE A 40 18.399 4.934 -6.805 1.00 0.00 O ATOM 626 CB PHE A 40 15.307 5.823 -6.076 1.00 0.00 C ATOM 627 CG PHE A 40 13.915 6.135 -6.548 1.00 0.00 C ATOM 628 CD1 PHE A 40 13.412 7.423 -6.458 1.00 0.00 C ATOM 629 CD2 PHE A 40 13.111 5.141 -7.081 1.00 0.00 C ATOM 630 CE1 PHE A 40 12.132 7.714 -6.892 1.00 0.00 C ATOM 631 CE2 PHE A 40 11.831 5.426 -7.517 1.00 0.00 C ATOM 632 CZ PHE A 40 11.340 6.713 -7.421 1.00 0.00 C ATOM 0 H PHE A 40 16.752 4.671 -8.422 1.00 0.00 H new ATOM 0 HA PHE A 40 16.318 7.303 -7.261 1.00 0.00 H new ATOM 0 HB2 PHE A 40 15.386 4.753 -5.884 1.00 0.00 H new ATOM 0 HB3 PHE A 40 15.483 6.330 -5.127 1.00 0.00 H new ATOM 0 HD1 PHE A 40 14.027 8.209 -6.044 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.489 4.132 -7.157 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.752 8.722 -6.818 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.215 4.642 -7.933 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.339 6.937 -7.759 1.00 0.00 H new ATOM 642 N TYR A 41 18.238 6.836 -5.615 1.00 0.00 N ATOM 643 CA TYR A 41 19.543 6.680 -4.982 1.00 0.00 C ATOM 644 C TYR A 41 19.484 5.646 -3.862 1.00 0.00 C ATOM 645 O TYR A 41 18.429 5.410 -3.274 1.00 0.00 O ATOM 646 CB TYR A 41 20.029 8.020 -4.429 1.00 0.00 C ATOM 647 CG TYR A 41 20.370 9.030 -5.502 1.00 0.00 C ATOM 648 CD1 TYR A 41 21.647 9.091 -6.046 1.00 0.00 C ATOM 649 CD2 TYR A 41 19.415 9.924 -5.971 1.00 0.00 C ATOM 650 CE1 TYR A 41 21.963 10.012 -7.026 1.00 0.00 C ATOM 651 CE2 TYR A 41 19.722 10.847 -6.951 1.00 0.00 C ATOM 652 CZ TYR A 41 20.997 10.888 -7.475 1.00 0.00 C ATOM 653 OH TYR A 41 21.307 11.807 -8.451 1.00 0.00 O ATOM 0 H TYR A 41 17.731 7.676 -5.335 1.00 0.00 H new ATOM 0 HA TYR A 41 20.246 6.331 -5.738 1.00 0.00 H new ATOM 0 HB2 TYR A 41 19.258 8.437 -3.781 1.00 0.00 H new ATOM 0 HB3 TYR A 41 20.909 7.850 -3.809 1.00 0.00 H new ATOM 0 HD1 TYR A 41 22.406 8.406 -5.697 1.00 0.00 H new ATOM 0 HD2 TYR A 41 18.416 9.896 -5.562 1.00 0.00 H new ATOM 0 HE1 TYR A 41 22.961 10.046 -7.438 1.00 0.00 H new ATOM 0 HE2 TYR A 41 18.967 11.533 -7.305 1.00 0.00 H new ATOM 0 HH TYR A 41 20.515 12.347 -8.655 1.00 0.00 H new ATOM 663 N ASP A 42 20.626 5.032 -3.572 1.00 0.00 N ATOM 664 CA ASP A 42 20.707 4.024 -2.521 1.00 0.00 C ATOM 665 C ASP A 42 21.421 4.578 -1.292 1.00 0.00 C ATOM 666 O ASP A 42 21.703 5.773 -1.212 1.00 0.00 O ATOM 667 CB ASP A 42 21.436 2.781 -3.033 1.00 0.00 C ATOM 668 CG ASP A 42 22.936 2.861 -2.824 1.00 0.00 C ATOM 669 OD1 ASP A 42 23.499 3.963 -2.993 1.00 0.00 O ATOM 670 OD2 ASP A 42 23.545 1.823 -2.492 1.00 0.00 O ATOM 0 H ASP A 42 21.508 5.215 -4.050 1.00 0.00 H new ATOM 0 HA ASP A 42 19.692 3.748 -2.236 1.00 0.00 H new ATOM 0 HB2 ASP A 42 21.048 1.900 -2.522 1.00 0.00 H new ATOM 0 HB3 ASP A 42 21.227 2.652 -4.095 1.00 0.00 H new ATOM 675 N GLU A 43 21.709 3.700 -0.336 1.00 0.00 N ATOM 676 CA GLU A 43 22.388 4.102 0.890 1.00 0.00 C ATOM 677 C GLU A 43 23.666 4.874 0.576 1.00 0.00 C ATOM 678 O GLU A 43 23.987 5.861 1.239 1.00 0.00 O ATOM 679 CB GLU A 43 22.717 2.875 1.743 1.00 0.00 C ATOM 680 CG GLU A 43 21.499 2.045 2.112 1.00 0.00 C ATOM 681 CD GLU A 43 21.832 0.906 3.056 1.00 0.00 C ATOM 682 OE1 GLU A 43 21.979 1.165 4.269 1.00 0.00 O ATOM 683 OE2 GLU A 43 21.947 -0.243 2.582 1.00 0.00 O ATOM 0 H GLU A 43 21.483 2.707 -0.387 1.00 0.00 H new ATOM 0 HA GLU A 43 21.718 4.755 1.449 1.00 0.00 H new ATOM 0 HB2 GLU A 43 23.424 2.246 1.202 1.00 0.00 H new ATOM 0 HB3 GLU A 43 23.214 3.201 2.657 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.752 2.689 2.576 1.00 0.00 H new ATOM 0 HG3 GLU A 43 21.051 1.640 1.204 1.00 0.00 H new ATOM 690 N LYS A 44 24.392 4.418 -0.438 1.00 0.00 N ATOM 691 CA LYS A 44 25.635 5.064 -0.843 1.00 0.00 C ATOM 692 C LYS A 44 25.370 6.152 -1.879 1.00 0.00 C ATOM 693 O LYS A 44 26.222 6.441 -2.720 1.00 0.00 O ATOM 694 CB LYS A 44 26.610 4.030 -1.410 1.00 0.00 C ATOM 695 CG LYS A 44 27.462 3.352 -0.351 1.00 0.00 C ATOM 696 CD LYS A 44 28.904 3.827 -0.407 1.00 0.00 C ATOM 697 CE LYS A 44 29.849 2.813 0.220 1.00 0.00 C ATOM 698 NZ LYS A 44 30.517 3.356 1.436 1.00 0.00 N ATOM 0 H LYS A 44 24.141 3.602 -0.996 1.00 0.00 H new ATOM 0 HA LYS A 44 26.079 5.527 0.038 1.00 0.00 H new ATOM 0 HB2 LYS A 44 26.046 3.270 -1.952 1.00 0.00 H new ATOM 0 HB3 LYS A 44 27.264 4.518 -2.133 1.00 0.00 H new ATOM 0 HG2 LYS A 44 27.048 3.557 0.636 1.00 0.00 H new ATOM 0 HG3 LYS A 44 27.428 2.272 -0.492 1.00 0.00 H new ATOM 0 HD2 LYS A 44 29.191 4.001 -1.444 1.00 0.00 H new ATOM 0 HD3 LYS A 44 28.995 4.781 0.113 1.00 0.00 H new ATOM 0 HE2 LYS A 44 29.294 1.912 0.482 1.00 0.00 H new ATOM 0 HE3 LYS A 44 30.604 2.521 -0.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 31.153 2.635 1.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 31.068 4.201 1.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 29.798 3.611 2.142 1.00 0.00 H new ATOM 712 N ARG A 45 24.186 6.751 -1.812 1.00 0.00 N ATOM 713 CA ARG A 45 23.810 7.807 -2.744 1.00 0.00 C ATOM 714 C ARG A 45 24.051 7.370 -4.186 1.00 0.00 C ATOM 715 O ARG A 45 24.561 8.138 -5.001 1.00 0.00 O ATOM 716 CB ARG A 45 24.601 9.083 -2.448 1.00 0.00 C ATOM 717 CG ARG A 45 24.509 9.534 -1.000 1.00 0.00 C ATOM 718 CD ARG A 45 23.640 10.774 -0.856 1.00 0.00 C ATOM 719 NE ARG A 45 23.333 11.069 0.541 1.00 0.00 N ATOM 720 CZ ARG A 45 24.219 11.563 1.398 1.00 0.00 C ATOM 721 NH1 ARG A 45 25.459 11.817 1.004 1.00 0.00 N ATOM 722 NH2 ARG A 45 23.864 11.805 2.654 1.00 0.00 N ATOM 0 H ARG A 45 23.470 6.523 -1.122 1.00 0.00 H new ATOM 0 HA ARG A 45 22.746 8.009 -2.616 1.00 0.00 H new ATOM 0 HB2 ARG A 45 25.648 8.919 -2.703 1.00 0.00 H new ATOM 0 HB3 ARG A 45 24.238 9.883 -3.093 1.00 0.00 H new ATOM 0 HG2 ARG A 45 24.098 8.728 -0.392 1.00 0.00 H new ATOM 0 HG3 ARG A 45 25.509 9.743 -0.619 1.00 0.00 H new ATOM 0 HD2 ARG A 45 24.150 11.628 -1.303 1.00 0.00 H new ATOM 0 HD3 ARG A 45 22.711 10.632 -1.409 1.00 0.00 H new ATOM 0 HE ARG A 45 22.387 10.886 0.876 1.00 0.00 H new ATOM 0 HH11 ARG A 45 25.735 11.633 0.040 1.00 0.00 H new ATOM 0 HH12 ARG A 45 26.137 12.196 1.665 1.00 0.00 H new ATOM 0 HH21 ARG A 45 22.911 11.611 2.961 1.00 0.00 H new ATOM 0 HH22 ARG A 45 24.545 12.184 3.312 1.00 0.00 H new ATOM 736 N ASN A 46 23.680 6.131 -4.493 1.00 0.00 N ATOM 737 CA ASN A 46 23.857 5.591 -5.836 1.00 0.00 C ATOM 738 C ASN A 46 22.509 5.387 -6.522 1.00 0.00 C ATOM 739 O ASN A 46 21.680 4.600 -6.064 1.00 0.00 O ATOM 740 CB ASN A 46 24.618 4.265 -5.780 1.00 0.00 C ATOM 741 CG ASN A 46 25.934 4.386 -5.035 1.00 0.00 C ATOM 742 OD1 ASN A 46 26.587 5.428 -5.070 1.00 0.00 O ATOM 743 ND2 ASN A 46 26.329 3.315 -4.355 1.00 0.00 N ATOM 0 H ASN A 46 23.255 5.483 -3.830 1.00 0.00 H new ATOM 0 HA ASN A 46 24.436 6.310 -6.416 1.00 0.00 H new ATOM 0 HB2 ASN A 46 23.996 3.512 -5.295 1.00 0.00 H new ATOM 0 HB3 ASN A 46 24.809 3.915 -6.795 1.00 0.00 H new ATOM 0 HD21 ASN A 46 27.206 3.336 -3.834 1.00 0.00 H new ATOM 0 HD22 ASN A 46 25.755 2.472 -4.354 1.00 0.00 H new ATOM 750 N LEU A 47 22.298 6.101 -7.623 1.00 0.00 N ATOM 751 CA LEU A 47 21.051 5.999 -8.373 1.00 0.00 C ATOM 752 C LEU A 47 21.001 4.699 -9.170 1.00 0.00 C ATOM 753 O LEU A 47 21.787 4.497 -10.095 1.00 0.00 O ATOM 754 CB LEU A 47 20.901 7.194 -9.315 1.00 0.00 C ATOM 755 CG LEU A 47 19.656 8.059 -9.109 1.00 0.00 C ATOM 756 CD1 LEU A 47 19.751 9.335 -9.930 1.00 0.00 C ATOM 757 CD2 LEU A 47 18.400 7.281 -9.472 1.00 0.00 C ATOM 0 H LEU A 47 22.974 6.756 -8.016 1.00 0.00 H new ATOM 0 HA LEU A 47 20.226 6.000 -7.661 1.00 0.00 H new ATOM 0 HB2 LEU A 47 21.781 7.828 -9.208 1.00 0.00 H new ATOM 0 HB3 LEU A 47 20.897 6.825 -10.340 1.00 0.00 H new ATOM 0 HG LEU A 47 19.598 8.333 -8.056 1.00 0.00 H new ATOM 0 HD11 LEU A 47 18.857 9.938 -9.771 1.00 0.00 H new ATOM 0 HD12 LEU A 47 20.630 9.901 -9.622 1.00 0.00 H new ATOM 0 HD13 LEU A 47 19.835 9.082 -10.987 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.524 7.912 -9.319 1.00 0.00 H new ATOM 0 HD22 LEU A 47 18.450 6.977 -10.517 1.00 0.00 H new ATOM 0 HD23 LEU A 47 18.324 6.396 -8.840 1.00 0.00 H new ATOM 769 N GLN A 48 20.070 3.823 -8.806 1.00 0.00 N ATOM 770 CA GLN A 48 19.916 2.544 -9.488 1.00 0.00 C ATOM 771 C GLN A 48 18.487 2.361 -9.987 1.00 0.00 C ATOM 772 O GLN A 48 17.559 3.002 -9.492 1.00 0.00 O ATOM 773 CB GLN A 48 20.293 1.394 -8.553 1.00 0.00 C ATOM 774 CG GLN A 48 21.755 1.405 -8.135 1.00 0.00 C ATOM 775 CD GLN A 48 21.997 0.654 -6.840 1.00 0.00 C ATOM 776 OE1 GLN A 48 22.883 -0.197 -6.758 1.00 0.00 O ATOM 777 NE2 GLN A 48 21.209 0.967 -5.818 1.00 0.00 N ATOM 0 H GLN A 48 19.411 3.976 -8.043 1.00 0.00 H new ATOM 0 HA GLN A 48 20.585 2.538 -10.348 1.00 0.00 H new ATOM 0 HB2 GLN A 48 19.668 1.442 -7.661 1.00 0.00 H new ATOM 0 HB3 GLN A 48 20.072 0.448 -9.047 1.00 0.00 H new ATOM 0 HG2 GLN A 48 22.359 0.961 -8.926 1.00 0.00 H new ATOM 0 HG3 GLN A 48 22.089 2.436 -8.020 1.00 0.00 H new ATOM 0 HE21 GLN A 48 20.487 1.679 -5.930 1.00 0.00 H new ATOM 0 HE22 GLN A 48 21.326 0.496 -4.921 1.00 0.00 H new ATOM 786 N CYS A 49 18.316 1.483 -10.969 1.00 0.00 N ATOM 787 CA CYS A 49 16.999 1.216 -11.536 1.00 0.00 C ATOM 788 C CYS A 49 16.175 0.331 -10.605 1.00 0.00 C ATOM 789 O CYS A 49 16.242 -0.896 -10.679 1.00 0.00 O ATOM 790 CB CYS A 49 17.137 0.546 -12.905 1.00 0.00 C ATOM 791 SG CYS A 49 15.583 0.462 -13.852 1.00 0.00 S ATOM 0 H CYS A 49 19.073 0.944 -11.389 1.00 0.00 H new ATOM 0 HA CYS A 49 16.482 2.168 -11.655 1.00 0.00 H new ATOM 0 HB2 CYS A 49 17.878 1.090 -13.491 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.520 -0.465 -12.766 1.00 0.00 H new ATOM 796 N ILE A 50 15.400 0.963 -9.731 1.00 0.00 N ATOM 797 CA ILE A 50 14.563 0.234 -8.786 1.00 0.00 C ATOM 798 C ILE A 50 13.188 -0.054 -9.380 1.00 0.00 C ATOM 799 O ILE A 50 12.443 0.864 -9.724 1.00 0.00 O ATOM 800 CB ILE A 50 14.388 1.014 -7.470 1.00 0.00 C ATOM 801 CG1 ILE A 50 15.696 1.018 -6.677 1.00 0.00 C ATOM 802 CG2 ILE A 50 13.262 0.411 -6.643 1.00 0.00 C ATOM 803 CD1 ILE A 50 16.272 2.402 -6.468 1.00 0.00 C ATOM 0 H ILE A 50 15.334 1.978 -9.657 1.00 0.00 H new ATOM 0 HA ILE A 50 15.071 -0.707 -8.575 1.00 0.00 H new ATOM 0 HB ILE A 50 14.126 2.045 -7.707 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.524 0.554 -5.706 1.00 0.00 H new ATOM 0 HG13 ILE A 50 16.429 0.403 -7.198 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.150 0.973 -5.716 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.331 0.455 -7.209 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.497 -0.628 -6.411 1.00 0.00 H new ATOM 0 HD11 ILE A 50 17.198 2.328 -5.899 1.00 0.00 H new ATOM 0 HD12 ILE A 50 16.476 2.861 -7.435 1.00 0.00 H new ATOM 0 HD13 ILE A 50 15.557 3.015 -5.919 1.00 0.00 H new ATOM 815 N CYS A 51 12.857 -1.336 -9.496 1.00 0.00 N ATOM 816 CA CYS A 51 11.571 -1.747 -10.046 1.00 0.00 C ATOM 817 C CYS A 51 10.570 -2.037 -8.932 1.00 0.00 C ATOM 818 O CYS A 51 10.939 -2.137 -7.762 1.00 0.00 O ATOM 819 CB CYS A 51 11.742 -2.986 -10.927 1.00 0.00 C ATOM 820 SG CYS A 51 13.155 -2.894 -12.074 1.00 0.00 S ATOM 0 H CYS A 51 13.462 -2.108 -9.216 1.00 0.00 H new ATOM 0 HA CYS A 51 11.186 -0.928 -10.653 1.00 0.00 H new ATOM 0 HB2 CYS A 51 11.864 -3.860 -10.287 1.00 0.00 H new ATOM 0 HB3 CYS A 51 10.829 -3.138 -11.503 1.00 0.00 H new ATOM 825 N ASP A 52 9.301 -2.169 -9.304 1.00 0.00 N ATOM 826 CA ASP A 52 8.246 -2.448 -8.337 1.00 0.00 C ATOM 827 C ASP A 52 7.684 -3.852 -8.536 1.00 0.00 C ATOM 828 O ASP A 52 7.216 -4.196 -9.621 1.00 0.00 O ATOM 829 CB ASP A 52 7.125 -1.414 -8.460 1.00 0.00 C ATOM 830 CG ASP A 52 7.320 -0.236 -7.526 1.00 0.00 C ATOM 831 OD1 ASP A 52 8.481 0.182 -7.331 1.00 0.00 O ATOM 832 OD2 ASP A 52 6.311 0.270 -6.992 1.00 0.00 O ATOM 0 H ASP A 52 8.978 -2.087 -10.268 1.00 0.00 H new ATOM 0 HA ASP A 52 8.678 -2.387 -7.338 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.077 -1.055 -9.488 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.169 -1.891 -8.244 1.00 0.00 H new ATOM 837 N TYR A 53 7.734 -4.659 -7.481 1.00 0.00 N ATOM 838 CA TYR A 53 7.233 -6.027 -7.541 1.00 0.00 C ATOM 839 C TYR A 53 6.117 -6.243 -6.523 1.00 0.00 C ATOM 840 O TYR A 53 6.360 -6.286 -5.317 1.00 0.00 O ATOM 841 CB TYR A 53 8.369 -7.020 -7.288 1.00 0.00 C ATOM 842 CG TYR A 53 8.992 -7.562 -8.555 1.00 0.00 C ATOM 843 CD1 TYR A 53 9.994 -6.860 -9.215 1.00 0.00 C ATOM 844 CD2 TYR A 53 8.579 -8.775 -9.092 1.00 0.00 C ATOM 845 CE1 TYR A 53 10.566 -7.351 -10.372 1.00 0.00 C ATOM 846 CE2 TYR A 53 9.146 -9.274 -10.248 1.00 0.00 C ATOM 847 CZ TYR A 53 10.139 -8.559 -10.885 1.00 0.00 C ATOM 848 OH TYR A 53 10.706 -9.052 -12.038 1.00 0.00 O ATOM 0 H TYR A 53 8.116 -4.389 -6.575 1.00 0.00 H new ATOM 0 HA TYR A 53 6.828 -6.196 -8.539 1.00 0.00 H new ATOM 0 HB2 TYR A 53 9.141 -6.532 -6.693 1.00 0.00 H new ATOM 0 HB3 TYR A 53 7.988 -7.852 -6.696 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.331 -5.915 -8.816 1.00 0.00 H new ATOM 0 HD2 TYR A 53 7.801 -9.337 -8.597 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.343 -6.793 -10.873 1.00 0.00 H new ATOM 0 HE2 TYR A 53 8.814 -10.219 -10.651 1.00 0.00 H new ATOM 0 HH TYR A 53 10.003 -9.239 -12.694 1.00 0.00 H new ATOM 858 N CYS A 54 4.892 -6.380 -7.019 1.00 0.00 N ATOM 859 CA CYS A 54 3.737 -6.593 -6.155 1.00 0.00 C ATOM 860 C CYS A 54 2.511 -6.989 -6.974 1.00 0.00 C ATOM 861 O CYS A 54 2.121 -8.156 -7.001 1.00 0.00 O ATOM 862 CB CYS A 54 3.437 -5.328 -5.348 1.00 0.00 C ATOM 863 SG CYS A 54 3.971 -5.413 -3.608 1.00 0.00 S ATOM 0 H CYS A 54 4.673 -6.347 -8.015 1.00 0.00 H new ATOM 0 HA CYS A 54 3.973 -7.406 -5.469 1.00 0.00 H new ATOM 0 HB2 CYS A 54 3.927 -4.480 -5.826 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.365 -5.136 -5.379 1.00 0.00 H new ATOM 868 N GLU A 55 1.909 -6.009 -7.640 1.00 0.00 N ATOM 869 CA GLU A 55 0.728 -6.255 -8.459 1.00 0.00 C ATOM 870 C GLU A 55 1.050 -7.209 -9.605 1.00 0.00 C ATOM 871 O GLU A 55 2.125 -7.809 -9.645 1.00 0.00 O ATOM 872 CB GLU A 55 0.182 -4.939 -9.015 1.00 0.00 C ATOM 873 CG GLU A 55 -1.260 -4.664 -8.623 1.00 0.00 C ATOM 874 CD GLU A 55 -2.174 -4.518 -9.824 1.00 0.00 C ATOM 875 OE1 GLU A 55 -2.184 -5.432 -10.676 1.00 0.00 O ATOM 876 OE2 GLU A 55 -2.879 -3.491 -9.913 1.00 0.00 O ATOM 0 H GLU A 55 2.220 -5.037 -7.629 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.031 -6.716 -7.827 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.808 -4.119 -8.664 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.257 -4.955 -10.102 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.622 -5.476 -7.992 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.303 -3.753 -8.026 1.00 0.00 H new ATOM 883 N TYR A 56 0.112 -7.345 -10.536 1.00 0.00 N ATOM 884 CA TYR A 56 0.294 -8.228 -11.682 1.00 0.00 C ATOM 885 C TYR A 56 -0.611 -7.813 -12.838 1.00 0.00 C ATOM 886 O TYR A 56 -1.833 -7.779 -12.702 1.00 0.00 O ATOM 887 CB TYR A 56 0.003 -9.677 -11.287 1.00 0.00 C ATOM 888 CG TYR A 56 1.066 -10.653 -11.740 1.00 0.00 C ATOM 889 CD1 TYR A 56 1.274 -10.906 -13.090 1.00 0.00 C ATOM 890 CD2 TYR A 56 1.861 -11.322 -10.818 1.00 0.00 C ATOM 891 CE1 TYR A 56 2.243 -11.797 -13.508 1.00 0.00 C ATOM 892 CE2 TYR A 56 2.833 -12.213 -11.227 1.00 0.00 C ATOM 893 CZ TYR A 56 3.020 -12.448 -12.573 1.00 0.00 C ATOM 894 OH TYR A 56 3.987 -13.336 -12.985 1.00 0.00 O ATOM 0 H TYR A 56 -0.782 -6.855 -10.519 1.00 0.00 H new ATOM 0 HA TYR A 56 1.331 -8.149 -12.009 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.095 -9.737 -10.203 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.956 -9.975 -11.711 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.668 -10.397 -13.825 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.716 -11.142 -9.763 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.391 -11.983 -14.561 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.444 -12.723 -10.497 1.00 0.00 H new ATOM 0 HH TYR A 56 4.445 -13.707 -12.202 1.00 0.00 H new TER 904 TYR A 56