USER MOD reduce.3.24.130724 H: found=0, std=0, add=371, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 372 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 36 MET CE :methyl -146:sc= -3.29 (180deg=-6.78!) USER MOD Set 1.2: A 49 TYR OH : rot -168:sc= -4.17! USER MOD Single : A 2 HIS : no HD1:sc=-0.00703 X(o=-0.007,f=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.084 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.018) USER MOD Single : A 16 LYS NZ :NH3+ 164:sc= -0.0636 (180deg=-0.401) USER MOD Single : A 17 MET CE :methyl 146:sc= -0.211 (180deg=-1.17) USER MOD Single : A 30 LYS NZ :NH3+ -109:sc= -0.154 (180deg=-0.438) USER MOD Single : A 33 HIS : no HD1:sc= -8! C(o=-8!,f=-6.9!) USER MOD Single : A 35 ASN : amide:sc= -2.72! C(o=-2.7!,f=-3!) USER MOD Single : A 43 HIS : no HE2:sc= -17.9! C(o=-18!,f=-20!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.0608 K(o=-0.061,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 13 N HIS A 2 9.628 -0.759 -3.238 1.00 0.00 N ATOM 14 CA HIS A 2 9.036 -1.655 -2.251 1.00 0.00 C ATOM 15 C HIS A 2 7.568 -1.919 -2.574 1.00 0.00 C ATOM 16 O HIS A 2 6.679 -1.657 -1.765 1.00 0.00 O ATOM 17 CB HIS A 2 9.174 -1.061 -0.850 1.00 0.00 C ATOM 18 CG HIS A 2 10.559 -0.594 -0.531 1.00 0.00 C ATOM 19 ND1 HIS A 2 10.819 0.511 0.254 1.00 0.00 N ATOM 20 CD2 HIS A 2 11.767 -1.088 -0.893 1.00 0.00 C ATOM 21 CE1 HIS A 2 12.126 0.676 0.358 1.00 0.00 C ATOM 22 NE2 HIS A 2 12.724 -0.281 -0.327 1.00 0.00 N ATOM 0 HA HIS A 2 9.569 -2.605 -2.284 1.00 0.00 H new ATOM 0 HB2 HIS A 2 8.485 -0.222 -0.751 1.00 0.00 H new ATOM 0 HB3 HIS A 2 8.874 -1.809 -0.116 1.00 0.00 H new ATOM 0 HD2 HIS A 2 11.945 -1.955 -1.512 1.00 0.00 H new ATOM 0 HE1 HIS A 2 12.621 1.461 0.910 1.00 0.00 H new ATOM 0 HE2 HIS A 2 13.732 -0.402 -0.421 1.00 0.00 H new ATOM 31 N MET A 3 7.334 -2.434 -3.772 1.00 0.00 N ATOM 32 CA MET A 3 5.982 -2.735 -4.240 1.00 0.00 C ATOM 33 C MET A 3 5.487 -4.089 -3.723 1.00 0.00 C ATOM 34 O MET A 3 6.276 -4.956 -3.349 1.00 0.00 O ATOM 35 CB MET A 3 5.941 -2.723 -5.769 1.00 0.00 C ATOM 36 CG MET A 3 7.042 -3.551 -6.413 1.00 0.00 C ATOM 37 SD MET A 3 6.772 -3.818 -8.176 1.00 0.00 S ATOM 38 CE MET A 3 8.455 -3.769 -8.786 1.00 0.00 C ATOM 0 H MET A 3 8.067 -2.655 -4.445 1.00 0.00 H new ATOM 0 HA MET A 3 5.320 -1.963 -3.846 1.00 0.00 H new ATOM 0 HB2 MET A 3 4.973 -3.099 -6.101 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.020 -1.694 -6.118 1.00 0.00 H new ATOM 0 HG2 MET A 3 7.999 -3.050 -6.268 1.00 0.00 H new ATOM 0 HG3 MET A 3 7.107 -4.516 -5.910 1.00 0.00 H new ATOM 0 HE1 MET A 3 8.455 -3.919 -9.866 1.00 0.00 H new ATOM 0 HE2 MET A 3 8.898 -2.800 -8.554 1.00 0.00 H new ATOM 0 HE3 MET A 3 9.038 -4.558 -8.310 1.00 0.00 H new ATOM 48 N ASP A 4 4.164 -4.249 -3.714 1.00 0.00 N ATOM 49 CA ASP A 4 3.518 -5.479 -3.259 1.00 0.00 C ATOM 50 C ASP A 4 2.002 -5.327 -3.371 1.00 0.00 C ATOM 51 O ASP A 4 1.286 -5.351 -2.370 1.00 0.00 O ATOM 52 CB ASP A 4 3.917 -5.787 -1.810 1.00 0.00 C ATOM 53 CG ASP A 4 5.046 -6.797 -1.721 1.00 0.00 C ATOM 54 OD1 ASP A 4 5.503 -7.276 -2.780 1.00 0.00 O ATOM 55 OD2 ASP A 4 5.473 -7.108 -0.588 1.00 0.00 O ATOM 0 H ASP A 4 3.510 -3.529 -4.022 1.00 0.00 H new ATOM 0 HA ASP A 4 3.843 -6.309 -3.887 1.00 0.00 H new ATOM 0 HB2 ASP A 4 4.220 -4.864 -1.316 1.00 0.00 H new ATOM 0 HB3 ASP A 4 3.050 -6.168 -1.271 1.00 0.00 H new ATOM 60 N CYS A 5 1.526 -5.125 -4.595 1.00 0.00 N ATOM 61 CA CYS A 5 0.103 -4.907 -4.839 1.00 0.00 C ATOM 62 C CYS A 5 -0.701 -6.197 -4.820 1.00 0.00 C ATOM 63 O CYS A 5 -0.147 -7.296 -4.817 1.00 0.00 O ATOM 64 CB CYS A 5 -0.094 -4.216 -6.190 1.00 0.00 C ATOM 65 SG CYS A 5 1.135 -2.923 -6.546 1.00 0.00 S ATOM 0 H CYS A 5 2.105 -5.108 -5.435 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.262 -4.277 -4.028 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.056 -4.967 -6.979 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -1.090 -3.774 -6.219 1.00 0.00 H new ATOM 70 N THR A 6 -2.023 -6.039 -4.815 1.00 0.00 N ATOM 71 CA THR A 6 -2.934 -7.170 -4.807 1.00 0.00 C ATOM 72 C THR A 6 -2.763 -8.031 -6.071 1.00 0.00 C ATOM 73 O THR A 6 -3.348 -9.108 -6.143 1.00 0.00 O ATOM 74 CB THR A 6 -4.379 -6.670 -4.725 1.00 0.00 C ATOM 75 OG1 THR A 6 -4.425 -5.349 -4.212 1.00 0.00 O ATOM 76 CG2 THR A 6 -5.261 -7.534 -3.849 1.00 0.00 C ATOM 0 H THR A 6 -2.485 -5.130 -4.816 1.00 0.00 H new ATOM 0 HA THR A 6 -2.703 -7.784 -3.937 1.00 0.00 H new ATOM 0 HB THR A 6 -4.757 -6.710 -5.746 1.00 0.00 H new ATOM 0 HG1 THR A 6 -5.356 -5.047 -4.169 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.271 -7.125 -3.834 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.286 -8.549 -4.247 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.861 -7.551 -2.835 1.00 0.00 H new ATOM 84 N GLU A 7 -1.977 -7.550 -7.078 1.00 0.00 N ATOM 85 CA GLU A 7 -1.764 -8.285 -8.336 1.00 0.00 C ATOM 86 C GLU A 7 -2.107 -9.767 -8.213 1.00 0.00 C ATOM 87 O GLU A 7 -1.233 -10.616 -8.042 1.00 0.00 O ATOM 88 CB GLU A 7 -0.312 -8.131 -8.793 1.00 0.00 C ATOM 89 CG GLU A 7 0.700 -8.664 -7.790 1.00 0.00 C ATOM 90 CD GLU A 7 1.793 -7.662 -7.473 1.00 0.00 C ATOM 91 OE1 GLU A 7 2.019 -6.749 -8.296 1.00 0.00 O ATOM 92 OE2 GLU A 7 2.423 -7.790 -6.402 1.00 0.00 O ATOM 0 H GLU A 7 -1.486 -6.657 -7.031 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.438 -7.853 -9.076 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.181 -8.652 -9.741 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.108 -7.076 -8.978 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.184 -8.936 -6.869 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.151 -9.575 -8.184 1.00 0.00 H new ATOM 99 N PHE A 8 -3.399 -10.050 -8.306 1.00 0.00 N ATOM 100 CA PHE A 8 -3.924 -11.403 -8.214 1.00 0.00 C ATOM 101 C PHE A 8 -5.318 -11.428 -8.835 1.00 0.00 C ATOM 102 O PHE A 8 -5.575 -10.715 -9.805 1.00 0.00 O ATOM 103 CB PHE A 8 -3.958 -11.858 -6.746 1.00 0.00 C ATOM 104 CG PHE A 8 -2.596 -12.034 -6.136 1.00 0.00 C ATOM 105 CD1 PHE A 8 -1.688 -12.927 -6.682 1.00 0.00 C ATOM 106 CD2 PHE A 8 -2.224 -11.308 -5.015 1.00 0.00 C ATOM 107 CE1 PHE A 8 -0.435 -13.092 -6.124 1.00 0.00 C ATOM 108 CE2 PHE A 8 -0.972 -11.469 -4.452 1.00 0.00 C ATOM 109 CZ PHE A 8 -0.076 -12.362 -5.007 1.00 0.00 C ATOM 0 H PHE A 8 -4.117 -9.340 -8.449 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.281 -12.095 -8.757 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.516 -11.127 -6.161 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.501 -12.801 -6.680 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.963 -13.501 -7.554 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.920 -10.609 -4.577 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.263 -13.791 -6.560 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.694 -10.897 -3.579 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.903 -12.489 -4.569 1.00 0.00 H new ATOM 119 N ASN A 9 -6.222 -12.225 -8.283 1.00 0.00 N ATOM 120 CA ASN A 9 -7.576 -12.291 -8.809 1.00 0.00 C ATOM 121 C ASN A 9 -8.320 -10.985 -8.520 1.00 0.00 C ATOM 122 O ASN A 9 -8.829 -10.340 -9.438 1.00 0.00 O ATOM 123 CB ASN A 9 -8.330 -13.480 -8.210 1.00 0.00 C ATOM 124 CG ASN A 9 -8.534 -14.599 -9.213 1.00 0.00 C ATOM 125 OD1 ASN A 9 -9.263 -14.444 -10.193 1.00 0.00 O ATOM 126 ND2 ASN A 9 -7.889 -15.734 -8.972 1.00 0.00 N ATOM 0 H ASN A 9 -6.045 -12.828 -7.480 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.521 -12.430 -9.889 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.778 -13.862 -7.351 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.299 -13.144 -7.842 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.987 -16.522 -9.612 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -7.295 -15.818 -8.147 1.00 0.00 H new ATOM 133 N PRO A 10 -8.408 -10.582 -7.237 1.00 0.00 N ATOM 134 CA PRO A 10 -9.098 -9.370 -6.824 1.00 0.00 C ATOM 135 C PRO A 10 -8.155 -8.201 -6.521 1.00 0.00 C ATOM 136 O PRO A 10 -7.543 -8.154 -5.454 1.00 0.00 O ATOM 137 CB PRO A 10 -9.761 -9.847 -5.538 1.00 0.00 C ATOM 138 CG PRO A 10 -8.767 -10.797 -4.935 1.00 0.00 C ATOM 139 CD PRO A 10 -7.869 -11.278 -6.060 1.00 0.00 C ATOM 0 HA PRO A 10 -9.763 -8.980 -7.594 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.972 -9.014 -4.867 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.711 -10.342 -5.741 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.182 -10.301 -4.160 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -9.275 -11.637 -4.462 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.825 -11.019 -5.881 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.913 -12.361 -6.176 1.00 0.00 H new ATOM 147 N LEU A 11 -8.063 -7.246 -7.445 1.00 0.00 N ATOM 148 CA LEU A 11 -7.216 -6.070 -7.243 1.00 0.00 C ATOM 149 C LEU A 11 -7.780 -5.228 -6.116 1.00 0.00 C ATOM 150 O LEU A 11 -8.774 -5.611 -5.516 1.00 0.00 O ATOM 151 CB LEU A 11 -7.124 -5.243 -8.527 1.00 0.00 C ATOM 152 CG LEU A 11 -5.963 -5.611 -9.451 1.00 0.00 C ATOM 153 CD1 LEU A 11 -4.643 -5.555 -8.696 1.00 0.00 C ATOM 154 CD2 LEU A 11 -6.178 -6.992 -10.050 1.00 0.00 C ATOM 0 H LEU A 11 -8.561 -7.262 -8.335 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.211 -6.400 -6.979 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.057 -5.353 -9.080 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.035 -4.191 -8.258 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.925 -4.886 -10.264 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.827 -5.820 -9.369 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.485 -4.547 -8.314 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.670 -6.259 -7.864 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.343 -7.238 -10.705 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.242 -7.730 -9.250 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.104 -6.999 -10.625 1.00 0.00 H new ATOM 166 N CYS A 12 -7.129 -4.095 -5.828 1.00 0.00 N ATOM 167 CA CYS A 12 -7.546 -3.185 -4.748 1.00 0.00 C ATOM 168 C CYS A 12 -8.988 -3.404 -4.299 1.00 0.00 C ATOM 169 O CYS A 12 -9.825 -2.503 -4.370 1.00 0.00 O ATOM 170 CB CYS A 12 -7.393 -1.741 -5.205 1.00 0.00 C ATOM 171 SG CYS A 12 -8.049 -1.422 -6.866 1.00 0.00 S ATOM 0 H CYS A 12 -6.301 -3.781 -6.334 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.900 -3.400 -3.897 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.900 -1.089 -4.493 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -6.336 -1.474 -5.185 1.00 0.00 H new ATOM 176 N ARG A 13 -9.257 -4.606 -3.823 1.00 0.00 N ATOM 177 CA ARG A 13 -10.585 -4.965 -3.337 1.00 0.00 C ATOM 178 C ARG A 13 -10.547 -5.157 -1.826 1.00 0.00 C ATOM 179 O ARG A 13 -11.052 -6.146 -1.295 1.00 0.00 O ATOM 180 CB ARG A 13 -11.091 -6.240 -4.024 1.00 0.00 C ATOM 181 CG ARG A 13 -12.152 -5.982 -5.083 1.00 0.00 C ATOM 182 CD ARG A 13 -11.624 -5.099 -6.203 1.00 0.00 C ATOM 183 NE ARG A 13 -12.561 -5.012 -7.320 1.00 0.00 N ATOM 184 CZ ARG A 13 -12.680 -5.946 -8.262 1.00 0.00 C ATOM 185 NH1 ARG A 13 -11.932 -7.042 -8.218 1.00 0.00 N ATOM 186 NH2 ARG A 13 -13.549 -5.785 -9.250 1.00 0.00 N ATOM 0 H ARG A 13 -8.571 -5.358 -3.761 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.274 -4.155 -3.577 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.247 -6.754 -4.485 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.499 -6.912 -3.269 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -12.492 -6.931 -5.497 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -13.018 -5.507 -4.622 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.429 -4.099 -5.815 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.672 -5.494 -6.558 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.159 -4.188 -7.382 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.262 -7.172 -7.460 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.027 -7.754 -8.942 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.127 -4.945 -9.289 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.640 -6.501 -9.971 1.00 0.00 H new ATOM 200 N CYS A 14 -9.925 -4.204 -1.142 1.00 0.00 N ATOM 201 CA CYS A 14 -9.793 -4.263 0.308 1.00 0.00 C ATOM 202 C CYS A 14 -10.076 -2.906 0.948 1.00 0.00 C ATOM 203 O CYS A 14 -9.215 -2.028 0.968 1.00 0.00 O ATOM 204 CB CYS A 14 -8.384 -4.736 0.688 1.00 0.00 C ATOM 205 SG CYS A 14 -7.103 -4.363 -0.560 1.00 0.00 S ATOM 0 H CYS A 14 -9.503 -3.380 -1.570 1.00 0.00 H new ATOM 0 HA CYS A 14 -10.529 -4.974 0.684 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.100 -4.272 1.633 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.408 -5.813 0.856 1.00 0.00 H new ATOM 210 N ASN A 15 -11.285 -2.747 1.482 1.00 0.00 N ATOM 211 CA ASN A 15 -11.671 -1.500 2.135 1.00 0.00 C ATOM 212 C ASN A 15 -11.273 -1.531 3.596 1.00 0.00 C ATOM 213 O ASN A 15 -10.704 -0.571 4.104 1.00 0.00 O ATOM 214 CB ASN A 15 -13.179 -1.275 2.023 1.00 0.00 C ATOM 215 CG ASN A 15 -13.521 0.003 1.281 1.00 0.00 C ATOM 216 OD1 ASN A 15 -14.334 -0.002 0.357 1.00 0.00 O ATOM 217 ND2 ASN A 15 -12.900 1.104 1.684 1.00 0.00 N ATOM 0 H ASN A 15 -12.011 -3.463 1.475 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.154 -0.681 1.635 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -13.633 -2.122 1.509 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -13.613 -1.239 3.022 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.089 1.994 1.223 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.233 1.060 2.455 1.00 0.00 H new ATOM 224 N LYS A 16 -11.595 -2.651 4.252 1.00 0.00 N ATOM 225 CA LYS A 16 -11.305 -2.888 5.674 1.00 0.00 C ATOM 226 C LYS A 16 -10.206 -1.976 6.205 1.00 0.00 C ATOM 227 O LYS A 16 -9.168 -2.440 6.678 1.00 0.00 O ATOM 228 CB LYS A 16 -10.909 -4.351 5.881 1.00 0.00 C ATOM 229 CG LYS A 16 -10.925 -4.788 7.337 1.00 0.00 C ATOM 230 CD LYS A 16 -12.335 -5.109 7.808 1.00 0.00 C ATOM 231 CE LYS A 16 -12.964 -6.219 6.980 1.00 0.00 C ATOM 232 NZ LYS A 16 -12.013 -7.337 6.730 1.00 0.00 N ATOM 0 H LYS A 16 -12.073 -3.433 3.804 1.00 0.00 H new ATOM 0 HA LYS A 16 -12.212 -2.660 6.234 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.589 -4.986 5.313 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.910 -4.509 5.474 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.290 -5.665 7.461 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.503 -3.999 7.959 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.310 -5.406 8.856 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.953 -4.213 7.745 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.845 -6.601 7.496 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.304 -5.812 6.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.539 -8.175 6.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.330 -7.055 5.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.505 -7.563 7.609 1.00 0.00 H new ATOM 246 N MET A 17 -10.443 -0.677 6.103 1.00 0.00 N ATOM 247 CA MET A 17 -9.476 0.322 6.557 1.00 0.00 C ATOM 248 C MET A 17 -9.212 0.218 8.050 1.00 0.00 C ATOM 249 O MET A 17 -9.660 1.047 8.842 1.00 0.00 O ATOM 250 CB MET A 17 -9.940 1.726 6.219 1.00 0.00 C ATOM 251 CG MET A 17 -11.431 1.952 6.423 1.00 0.00 C ATOM 252 SD MET A 17 -11.786 3.403 7.435 1.00 0.00 S ATOM 253 CE MET A 17 -10.776 4.638 6.622 1.00 0.00 C ATOM 0 H MET A 17 -11.298 -0.285 5.709 1.00 0.00 H new ATOM 0 HA MET A 17 -8.544 0.117 6.030 1.00 0.00 H new ATOM 0 HB2 MET A 17 -9.388 2.438 6.833 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.690 1.940 5.180 1.00 0.00 H new ATOM 0 HG2 MET A 17 -11.913 2.065 5.452 1.00 0.00 H new ATOM 0 HG3 MET A 17 -11.866 1.071 6.894 1.00 0.00 H new ATOM 0 HE1 MET A 17 -11.274 5.606 6.673 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.808 4.701 7.119 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.630 4.359 5.578 1.00 0.00 H new ATOM 263 N LEU A 18 -8.469 -0.806 8.410 1.00 0.00 N ATOM 264 CA LEU A 18 -8.099 -1.062 9.791 1.00 0.00 C ATOM 265 C LEU A 18 -7.066 -2.179 9.864 1.00 0.00 C ATOM 266 O LEU A 18 -7.303 -3.221 10.477 1.00 0.00 O ATOM 267 CB LEU A 18 -9.334 -1.425 10.611 1.00 0.00 C ATOM 268 CG LEU A 18 -10.116 -2.639 10.103 1.00 0.00 C ATOM 269 CD1 LEU A 18 -10.429 -3.593 11.246 1.00 0.00 C ATOM 270 CD2 LEU A 18 -11.397 -2.196 9.411 1.00 0.00 C ATOM 0 H LEU A 18 -8.100 -1.491 7.750 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.659 -0.156 10.208 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.026 -1.615 11.639 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.003 -0.564 10.633 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.497 -3.167 9.378 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.985 -4.449 10.864 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.499 -3.937 11.698 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.028 -3.077 11.997 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.940 -3.072 9.056 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.019 -1.644 10.116 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.150 -1.555 8.565 1.00 0.00 H new ATOM 282 N GLY A 19 -5.927 -1.962 9.220 1.00 0.00 N ATOM 283 CA GLY A 19 -4.881 -2.969 9.210 1.00 0.00 C ATOM 284 C GLY A 19 -3.545 -2.451 9.707 1.00 0.00 C ATOM 285 O GLY A 19 -3.486 -1.615 10.608 1.00 0.00 O ATOM 0 H GLY A 19 -5.708 -1.109 8.705 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.190 -3.810 9.830 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.761 -3.348 8.195 1.00 0.00 H new ATOM 289 N ASP A 20 -2.471 -2.969 9.120 1.00 0.00 N ATOM 290 CA ASP A 20 -1.118 -2.587 9.496 1.00 0.00 C ATOM 291 C ASP A 20 -0.835 -1.119 9.209 1.00 0.00 C ATOM 292 O ASP A 20 -1.703 -0.372 8.759 1.00 0.00 O ATOM 293 CB ASP A 20 -0.111 -3.457 8.747 1.00 0.00 C ATOM 294 CG ASP A 20 -0.423 -4.936 8.866 1.00 0.00 C ATOM 295 OD1 ASP A 20 -1.180 -5.311 9.785 1.00 0.00 O ATOM 296 OD2 ASP A 20 0.092 -5.720 8.039 1.00 0.00 O ATOM 0 H ASP A 20 -2.515 -3.663 8.373 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.021 -2.739 10.571 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.103 -3.174 7.694 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.889 -3.267 9.136 1.00 0.00 H new ATOM 301 N LEU A 21 0.404 -0.728 9.476 1.00 0.00 N ATOM 302 CA LEU A 21 0.860 0.639 9.259 1.00 0.00 C ATOM 303 C LEU A 21 2.021 0.652 8.274 1.00 0.00 C ATOM 304 O LEU A 21 3.175 0.452 8.652 1.00 0.00 O ATOM 305 CB LEU A 21 1.284 1.275 10.586 1.00 0.00 C ATOM 306 CG LEU A 21 2.057 2.589 10.461 1.00 0.00 C ATOM 307 CD1 LEU A 21 1.332 3.547 9.530 1.00 0.00 C ATOM 308 CD2 LEU A 21 2.258 3.219 11.829 1.00 0.00 C ATOM 0 H LEU A 21 1.122 -1.349 9.849 1.00 0.00 H new ATOM 0 HA LEU A 21 0.038 1.221 8.842 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.392 1.453 11.187 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.899 0.561 11.133 1.00 0.00 H new ATOM 0 HG LEU A 21 3.037 2.375 10.035 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.896 4.476 9.453 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.240 3.095 8.542 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.339 3.757 9.926 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.810 4.153 11.722 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.288 3.421 12.283 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.821 2.536 12.465 1.00 0.00 H new ATOM 320 N ILE A 22 1.701 0.879 7.011 1.00 0.00 N ATOM 321 CA ILE A 22 2.703 0.909 5.953 1.00 0.00 C ATOM 322 C ILE A 22 3.295 2.303 5.789 1.00 0.00 C ATOM 323 O ILE A 22 2.635 3.309 6.054 1.00 0.00 O ATOM 324 CB ILE A 22 2.094 0.450 4.603 1.00 0.00 C ATOM 325 CG1 ILE A 22 2.941 0.890 3.424 1.00 0.00 C ATOM 326 CG2 ILE A 22 0.696 0.995 4.430 1.00 0.00 C ATOM 327 CD1 ILE A 22 2.536 2.239 2.860 1.00 0.00 C ATOM 0 H ILE A 22 0.748 1.047 6.689 1.00 0.00 H new ATOM 0 HA ILE A 22 3.498 0.221 6.243 1.00 0.00 H new ATOM 0 HB ILE A 22 2.065 -0.639 4.627 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.986 0.932 3.733 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.872 0.140 2.636 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.290 0.659 3.476 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.062 0.635 5.241 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.725 2.084 4.449 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.183 2.491 2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.501 2.196 2.521 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.632 3.001 3.634 1.00 0.00 H new ATOM 339 N CYS A 23 4.532 2.352 5.309 1.00 0.00 N ATOM 340 CA CYS A 23 5.205 3.622 5.061 1.00 0.00 C ATOM 341 C CYS A 23 5.483 3.748 3.572 1.00 0.00 C ATOM 342 O CYS A 23 6.521 3.305 3.081 1.00 0.00 O ATOM 343 CB CYS A 23 6.507 3.745 5.866 1.00 0.00 C ATOM 344 SG CYS A 23 7.219 2.164 6.431 1.00 0.00 S ATOM 0 H CYS A 23 5.089 1.528 5.084 1.00 0.00 H new ATOM 0 HA CYS A 23 4.553 4.432 5.388 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.247 4.261 5.254 1.00 0.00 H new ATOM 0 HB3 CYS A 23 6.320 4.373 6.737 1.00 0.00 H new ATOM 349 N ALA A 24 4.522 4.316 2.853 1.00 0.00 N ATOM 350 CA ALA A 24 4.629 4.460 1.411 1.00 0.00 C ATOM 351 C ALA A 24 5.503 5.632 1.012 1.00 0.00 C ATOM 352 O ALA A 24 5.660 6.595 1.757 1.00 0.00 O ATOM 353 CB ALA A 24 3.244 4.608 0.798 1.00 0.00 C ATOM 0 H ALA A 24 3.658 4.685 3.250 1.00 0.00 H new ATOM 0 HA ALA A 24 5.105 3.557 1.029 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.334 4.715 -0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.649 3.724 1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.756 5.491 1.211 1.00 0.00 H new ATOM 359 N VAL A 25 6.064 5.529 -0.182 1.00 0.00 N ATOM 360 CA VAL A 25 6.927 6.565 -0.728 1.00 0.00 C ATOM 361 C VAL A 25 6.766 6.658 -2.238 1.00 0.00 C ATOM 362 O VAL A 25 6.497 5.658 -2.909 1.00 0.00 O ATOM 363 CB VAL A 25 8.408 6.304 -0.395 1.00 0.00 C ATOM 364 CG1 VAL A 25 9.262 7.500 -0.782 1.00 0.00 C ATOM 365 CG2 VAL A 25 8.573 5.974 1.081 1.00 0.00 C ATOM 0 H VAL A 25 5.935 4.727 -0.799 1.00 0.00 H new ATOM 0 HA VAL A 25 6.626 7.506 -0.268 1.00 0.00 H new ATOM 0 HB VAL A 25 8.746 5.445 -0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.305 7.296 -0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.168 7.683 -1.852 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.927 8.380 -0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 25 9.626 5.793 1.298 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.217 6.810 1.683 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.994 5.082 1.321 1.00 0.00 H new ATOM 375 N ILE A 26 6.928 7.867 -2.763 1.00 0.00 N ATOM 376 CA ILE A 26 6.803 8.105 -4.198 1.00 0.00 C ATOM 377 C ILE A 26 7.823 9.133 -4.676 1.00 0.00 C ATOM 378 O ILE A 26 7.531 10.326 -4.752 1.00 0.00 O ATOM 379 CB ILE A 26 5.392 8.591 -4.598 1.00 0.00 C ATOM 380 CG1 ILE A 26 4.566 8.969 -3.360 1.00 0.00 C ATOM 381 CG2 ILE A 26 4.677 7.534 -5.428 1.00 0.00 C ATOM 382 CD1 ILE A 26 4.038 7.779 -2.586 1.00 0.00 C ATOM 0 H ILE A 26 7.147 8.700 -2.216 1.00 0.00 H new ATOM 0 HA ILE A 26 6.988 7.143 -4.676 1.00 0.00 H new ATOM 0 HB ILE A 26 5.503 9.487 -5.209 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.181 9.577 -2.697 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.725 9.589 -3.672 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.685 7.895 -5.700 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.251 7.332 -6.333 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.583 6.617 -4.846 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.466 8.129 -1.727 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.395 7.181 -3.232 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.873 7.169 -2.242 1.00 0.00 H new ATOM 394 N GLY A 27 9.015 8.656 -4.993 1.00 0.00 N ATOM 395 CA GLY A 27 10.079 9.526 -5.463 1.00 0.00 C ATOM 396 C GLY A 27 10.618 10.411 -4.362 1.00 0.00 C ATOM 397 O GLY A 27 11.807 10.379 -4.046 1.00 0.00 O ATOM 0 H GLY A 27 9.270 7.670 -4.933 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.889 8.920 -5.870 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.706 10.147 -6.277 1.00 0.00 H new ATOM 401 N ASP A 28 9.729 11.195 -3.776 1.00 0.00 N ATOM 402 CA ASP A 28 10.088 12.098 -2.695 1.00 0.00 C ATOM 403 C ASP A 28 8.874 12.392 -1.822 1.00 0.00 C ATOM 404 O ASP A 28 8.816 13.420 -1.148 1.00 0.00 O ATOM 405 CB ASP A 28 10.659 13.403 -3.255 1.00 0.00 C ATOM 406 CG ASP A 28 9.660 14.141 -4.126 1.00 0.00 C ATOM 407 OD1 ASP A 28 9.264 13.589 -5.172 1.00 0.00 O ATOM 408 OD2 ASP A 28 9.276 15.272 -3.759 1.00 0.00 O ATOM 0 H ASP A 28 8.743 11.224 -4.034 1.00 0.00 H new ATOM 0 HA ASP A 28 10.851 11.615 -2.084 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.964 14.047 -2.430 1.00 0.00 H new ATOM 0 HB3 ASP A 28 11.554 13.185 -3.837 1.00 0.00 H new ATOM 413 N ALA A 29 7.902 11.481 -1.838 1.00 0.00 N ATOM 414 CA ALA A 29 6.691 11.650 -1.045 1.00 0.00 C ATOM 415 C ALA A 29 6.448 10.434 -0.163 1.00 0.00 C ATOM 416 O ALA A 29 5.665 9.549 -0.510 1.00 0.00 O ATOM 417 CB ALA A 29 5.495 11.899 -1.951 1.00 0.00 C ATOM 0 H ALA A 29 7.931 10.623 -2.389 1.00 0.00 H new ATOM 0 HA ALA A 29 6.824 12.517 -0.398 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.598 12.023 -1.344 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.664 12.802 -2.537 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.364 11.050 -2.622 1.00 0.00 H new ATOM 423 N LYS A 30 7.127 10.392 0.977 1.00 0.00 N ATOM 424 CA LYS A 30 6.984 9.277 1.901 1.00 0.00 C ATOM 425 C LYS A 30 5.998 9.609 3.019 1.00 0.00 C ATOM 426 O LYS A 30 6.151 10.609 3.720 1.00 0.00 O ATOM 427 CB LYS A 30 8.342 8.898 2.495 1.00 0.00 C ATOM 428 CG LYS A 30 9.129 10.086 3.021 1.00 0.00 C ATOM 429 CD LYS A 30 10.229 9.647 3.975 1.00 0.00 C ATOM 430 CE LYS A 30 11.211 8.704 3.299 1.00 0.00 C ATOM 431 NZ LYS A 30 10.869 7.275 3.545 1.00 0.00 N ATOM 0 H LYS A 30 7.779 11.115 1.282 1.00 0.00 H new ATOM 0 HA LYS A 30 6.591 8.428 1.341 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.188 8.187 3.306 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.933 8.390 1.733 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.567 10.632 2.186 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.455 10.773 3.533 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.761 10.523 4.346 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.786 9.153 4.840 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.218 8.896 2.226 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.218 8.905 3.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.570 6.856 4.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.924 7.213 3.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.875 6.756 2.643 1.00 0.00 H new ATOM 445 N GLU A 31 4.988 8.759 3.179 1.00 0.00 N ATOM 446 CA GLU A 31 3.972 8.952 4.208 1.00 0.00 C ATOM 447 C GLU A 31 3.354 7.616 4.613 1.00 0.00 C ATOM 448 O GLU A 31 3.437 6.635 3.874 1.00 0.00 O ATOM 449 CB GLU A 31 2.884 9.904 3.709 1.00 0.00 C ATOM 450 CG GLU A 31 2.525 9.709 2.244 1.00 0.00 C ATOM 451 CD GLU A 31 1.743 8.433 2.002 1.00 0.00 C ATOM 452 OE1 GLU A 31 0.814 8.151 2.786 1.00 0.00 O ATOM 453 OE2 GLU A 31 2.062 7.717 1.030 1.00 0.00 O ATOM 0 H GLU A 31 4.851 7.926 2.606 1.00 0.00 H new ATOM 0 HA GLU A 31 4.451 9.391 5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.988 9.767 4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.216 10.931 3.859 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.939 10.561 1.901 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.438 9.690 1.649 1.00 0.00 H new ATOM 460 N GLU A 32 2.738 7.579 5.792 1.00 0.00 N ATOM 461 CA GLU A 32 2.114 6.357 6.290 1.00 0.00 C ATOM 462 C GLU A 32 0.865 6.008 5.500 1.00 0.00 C ATOM 463 O GLU A 32 0.296 6.850 4.806 1.00 0.00 O ATOM 464 CB GLU A 32 1.730 6.503 7.759 1.00 0.00 C ATOM 465 CG GLU A 32 2.869 6.979 8.646 1.00 0.00 C ATOM 466 CD GLU A 32 2.452 8.102 9.576 1.00 0.00 C ATOM 467 OE1 GLU A 32 1.779 7.815 10.589 1.00 0.00 O ATOM 468 OE2 GLU A 32 2.799 9.268 9.293 1.00 0.00 O ATOM 0 H GLU A 32 2.658 8.380 6.419 1.00 0.00 H new ATOM 0 HA GLU A 32 2.848 5.559 6.175 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.901 7.206 7.840 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.371 5.542 8.128 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.239 6.141 9.237 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.695 7.318 8.020 1.00 0.00 H new ATOM 475 N HIS A 33 0.435 4.761 5.630 1.00 0.00 N ATOM 476 CA HIS A 33 -0.759 4.298 4.947 1.00 0.00 C ATOM 477 C HIS A 33 -1.313 3.042 5.609 1.00 0.00 C ATOM 478 O HIS A 33 -0.612 2.348 6.345 1.00 0.00 O ATOM 479 CB HIS A 33 -0.462 4.032 3.469 1.00 0.00 C ATOM 480 CG HIS A 33 -0.942 5.125 2.565 1.00 0.00 C ATOM 481 ND1 HIS A 33 -2.259 5.529 2.507 1.00 0.00 N ATOM 482 CD2 HIS A 33 -0.270 5.910 1.689 1.00 0.00 C ATOM 483 CE1 HIS A 33 -2.377 6.514 1.634 1.00 0.00 C ATOM 484 NE2 HIS A 33 -1.186 6.765 1.125 1.00 0.00 N ATOM 0 H HIS A 33 0.897 4.054 6.202 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.513 5.082 5.017 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.613 3.907 3.338 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -0.931 3.093 3.174 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.788 5.871 1.474 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -3.293 7.027 1.380 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.979 7.478 0.426 1.00 0.00 H new ATOM 493 N ARG A 34 -2.579 2.767 5.346 1.00 0.00 N ATOM 494 CA ARG A 34 -3.247 1.598 5.908 1.00 0.00 C ATOM 495 C ARG A 34 -3.561 0.573 4.821 1.00 0.00 C ATOM 496 O ARG A 34 -2.938 -0.486 4.758 1.00 0.00 O ATOM 497 CB ARG A 34 -4.531 2.016 6.619 1.00 0.00 C ATOM 498 CG ARG A 34 -4.984 1.031 7.687 1.00 0.00 C ATOM 499 CD ARG A 34 -5.336 1.734 8.988 1.00 0.00 C ATOM 500 NE ARG A 34 -4.144 2.142 9.732 1.00 0.00 N ATOM 501 CZ ARG A 34 -3.651 3.379 9.737 1.00 0.00 C ATOM 502 NH1 ARG A 34 -4.234 4.344 9.035 1.00 0.00 N ATOM 503 NH2 ARG A 34 -2.566 3.655 10.448 1.00 0.00 N ATOM 0 H ARG A 34 -3.171 3.339 4.744 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.573 1.136 6.630 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.381 2.993 7.078 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.325 2.129 5.881 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.851 0.477 7.327 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.194 0.303 7.869 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.946 2.611 8.772 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.940 1.070 9.607 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.659 1.433 10.282 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.068 4.141 8.484 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.847 5.288 9.046 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.111 2.920 10.990 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.187 4.602 10.453 1.00 0.00 H new ATOM 517 N ASN A 35 -4.526 0.896 3.962 1.00 0.00 N ATOM 518 CA ASN A 35 -4.909 0.000 2.878 1.00 0.00 C ATOM 519 C ASN A 35 -3.926 0.120 1.722 1.00 0.00 C ATOM 520 O ASN A 35 -4.270 0.593 0.639 1.00 0.00 O ATOM 521 CB ASN A 35 -6.326 0.305 2.397 1.00 0.00 C ATOM 522 CG ASN A 35 -7.339 -0.687 2.931 1.00 0.00 C ATOM 523 OD1 ASN A 35 -7.323 -1.864 2.567 1.00 0.00 O ATOM 524 ND2 ASN A 35 -8.224 -0.218 3.798 1.00 0.00 N ATOM 0 H ASN A 35 -5.054 1.768 3.997 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.887 -1.022 3.256 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.605 1.311 2.710 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.348 0.293 1.307 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.930 -0.839 4.193 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.199 0.765 4.071 1.00 0.00 H new ATOM 531 N MET A 36 -2.700 -0.311 1.970 1.00 0.00 N ATOM 532 CA MET A 36 -1.650 -0.256 0.965 1.00 0.00 C ATOM 533 C MET A 36 -1.956 -1.189 -0.208 1.00 0.00 C ATOM 534 O MET A 36 -1.316 -1.108 -1.255 1.00 0.00 O ATOM 535 CB MET A 36 -0.305 -0.601 1.619 1.00 0.00 C ATOM 536 CG MET A 36 0.423 -1.797 1.013 1.00 0.00 C ATOM 537 SD MET A 36 -0.361 -3.369 1.420 1.00 0.00 S ATOM 538 CE MET A 36 -0.413 -4.149 -0.193 1.00 0.00 C ATOM 0 H MET A 36 -2.406 -0.705 2.864 1.00 0.00 H new ATOM 0 HA MET A 36 -1.597 0.754 0.559 1.00 0.00 H new ATOM 0 HB2 MET A 36 0.346 0.271 1.556 1.00 0.00 H new ATOM 0 HB3 MET A 36 -0.473 -0.797 2.678 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.460 -1.684 -0.070 1.00 0.00 H new ATOM 0 HG3 MET A 36 1.454 -1.807 1.367 1.00 0.00 H new ATOM 0 HE1 MET A 36 -1.312 -4.759 -0.273 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.425 -3.382 -0.968 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.466 -4.780 -0.320 1.00 0.00 H new ATOM 548 N CYS A 37 -2.932 -2.077 -0.030 1.00 0.00 N ATOM 549 CA CYS A 37 -3.299 -3.017 -1.083 1.00 0.00 C ATOM 550 C CYS A 37 -4.114 -2.332 -2.173 1.00 0.00 C ATOM 551 O CYS A 37 -3.821 -2.474 -3.362 1.00 0.00 O ATOM 552 CB CYS A 37 -4.076 -4.204 -0.502 1.00 0.00 C ATOM 553 SG CYS A 37 -5.506 -3.742 0.531 1.00 0.00 S ATOM 0 H CYS A 37 -3.478 -2.164 0.827 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.378 -3.390 -1.532 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.425 -4.830 -1.323 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.395 -4.811 0.094 1.00 0.00 H new ATOM 558 N ALA A 38 -5.127 -1.581 -1.767 1.00 0.00 N ATOM 559 CA ALA A 38 -5.969 -0.869 -2.719 1.00 0.00 C ATOM 560 C ALA A 38 -5.217 0.297 -3.333 1.00 0.00 C ATOM 561 O ALA A 38 -5.522 0.742 -4.440 1.00 0.00 O ATOM 562 CB ALA A 38 -7.251 -0.395 -2.052 1.00 0.00 C ATOM 0 H ALA A 38 -5.386 -1.449 -0.789 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.238 -1.558 -3.520 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.866 0.134 -2.780 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.801 -1.255 -1.669 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.006 0.275 -1.228 1.00 0.00 H new ATOM 568 N LEU A 39 -4.224 0.772 -2.608 1.00 0.00 N ATOM 569 CA LEU A 39 -3.401 1.870 -3.061 1.00 0.00 C ATOM 570 C LEU A 39 -2.414 1.385 -4.102 1.00 0.00 C ATOM 571 O LEU A 39 -2.060 2.111 -5.024 1.00 0.00 O ATOM 572 CB LEU A 39 -2.636 2.431 -1.879 1.00 0.00 C ATOM 573 CG LEU A 39 -2.920 3.897 -1.548 1.00 0.00 C ATOM 574 CD1 LEU A 39 -4.353 4.069 -1.070 1.00 0.00 C ATOM 575 CD2 LEU A 39 -1.942 4.402 -0.499 1.00 0.00 C ATOM 0 H LEU A 39 -3.967 0.407 -1.691 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.037 2.639 -3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.865 1.827 -1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.569 2.320 -2.073 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.789 4.488 -2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.536 5.118 -0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.039 3.744 -1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.513 3.468 -0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.157 5.447 -0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.043 3.807 0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.924 4.315 -0.879 1.00 0.00 H new ATOM 587 N CYS A 40 -1.964 0.150 -3.933 1.00 0.00 N ATOM 588 CA CYS A 40 -1.006 -0.434 -4.847 1.00 0.00 C ATOM 589 C CYS A 40 -1.655 -0.731 -6.185 1.00 0.00 C ATOM 590 O CYS A 40 -1.003 -0.650 -7.226 1.00 0.00 O ATOM 591 CB CYS A 40 -0.394 -1.702 -4.255 1.00 0.00 C ATOM 592 SG CYS A 40 1.331 -1.984 -4.762 1.00 0.00 S ATOM 0 H CYS A 40 -2.250 -0.463 -3.170 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.206 0.289 -5.006 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.439 -1.644 -3.168 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.997 -2.560 -4.554 1.00 0.00 H new ATOM 597 N CYS A 41 -2.948 -1.047 -6.168 1.00 0.00 N ATOM 598 CA CYS A 41 -3.642 -1.313 -7.424 1.00 0.00 C ATOM 599 C CYS A 41 -3.746 -0.012 -8.199 1.00 0.00 C ATOM 600 O CYS A 41 -3.528 0.038 -9.410 1.00 0.00 O ATOM 601 CB CYS A 41 -5.045 -1.888 -7.195 1.00 0.00 C ATOM 602 SG CYS A 41 -6.401 -0.885 -7.912 1.00 0.00 S ATOM 0 H CYS A 41 -3.521 -1.123 -5.327 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.074 -2.056 -7.983 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.087 -2.891 -7.620 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -5.212 -1.989 -6.123 1.00 0.00 H new ATOM 607 N GLU A 42 -4.110 1.039 -7.472 1.00 0.00 N ATOM 608 CA GLU A 42 -4.283 2.367 -8.065 1.00 0.00 C ATOM 609 C GLU A 42 -2.956 3.117 -8.229 1.00 0.00 C ATOM 610 O GLU A 42 -2.902 4.142 -8.908 1.00 0.00 O ATOM 611 CB GLU A 42 -5.237 3.201 -7.207 1.00 0.00 C ATOM 612 CG GLU A 42 -6.704 2.989 -7.547 1.00 0.00 C ATOM 613 CD GLU A 42 -7.622 3.309 -6.386 1.00 0.00 C ATOM 614 OE1 GLU A 42 -7.870 4.508 -6.137 1.00 0.00 O ATOM 615 OE2 GLU A 42 -8.095 2.361 -5.723 1.00 0.00 O ATOM 0 H GLU A 42 -4.292 1.000 -6.469 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.701 2.219 -9.061 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.077 2.956 -6.157 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.993 4.256 -7.329 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.970 3.615 -8.399 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.857 1.954 -7.852 1.00 0.00 H new ATOM 622 N HIS A 43 -1.896 2.618 -7.604 1.00 0.00 N ATOM 623 CA HIS A 43 -0.587 3.264 -7.683 1.00 0.00 C ATOM 624 C HIS A 43 0.211 2.756 -8.883 1.00 0.00 C ATOM 625 O HIS A 43 -0.216 1.830 -9.571 1.00 0.00 O ATOM 626 CB HIS A 43 0.179 3.055 -6.374 1.00 0.00 C ATOM 627 CG HIS A 43 -0.220 4.033 -5.310 1.00 0.00 C ATOM 628 ND1 HIS A 43 -0.592 5.332 -5.585 1.00 0.00 N ATOM 629 CD2 HIS A 43 -0.329 3.890 -3.967 1.00 0.00 C ATOM 630 CE1 HIS A 43 -0.912 5.945 -4.460 1.00 0.00 C ATOM 631 NE2 HIS A 43 -0.762 5.092 -3.464 1.00 0.00 N ATOM 0 H HIS A 43 -1.915 1.770 -7.038 1.00 0.00 H new ATOM 0 HA HIS A 43 -0.736 4.334 -7.828 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.005 2.041 -6.014 1.00 0.00 H new ATOM 0 HB3 HIS A 43 1.248 3.147 -6.564 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -0.616 5.754 -6.513 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.115 2.997 -3.398 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -1.241 6.970 -4.370 1.00 0.00 H new ATOM 640 N PRO A 44 1.371 3.383 -9.166 1.00 0.00 N ATOM 641 CA PRO A 44 2.223 3.017 -10.311 1.00 0.00 C ATOM 642 C PRO A 44 2.671 1.556 -10.298 1.00 0.00 C ATOM 643 O PRO A 44 3.845 1.258 -10.077 1.00 0.00 O ATOM 644 CB PRO A 44 3.432 3.949 -10.169 1.00 0.00 C ATOM 645 CG PRO A 44 2.928 5.101 -9.371 1.00 0.00 C ATOM 646 CD PRO A 44 1.930 4.519 -8.411 1.00 0.00 C ATOM 0 HA PRO A 44 1.683 3.124 -11.252 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.260 3.450 -9.665 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.800 4.272 -11.143 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.741 5.596 -8.840 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.464 5.850 -10.013 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.403 4.195 -7.484 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.161 5.242 -8.140 1.00 0.00 H new ATOM 654 N GLY A 45 1.726 0.653 -10.558 1.00 0.00 N ATOM 655 CA GLY A 45 2.019 -0.772 -10.596 1.00 0.00 C ATOM 656 C GLY A 45 3.011 -1.221 -9.538 1.00 0.00 C ATOM 657 O GLY A 45 3.776 -2.159 -9.758 1.00 0.00 O ATOM 0 H GLY A 45 0.751 0.887 -10.745 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.090 -1.328 -10.469 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.411 -1.027 -11.580 1.00 0.00 H new ATOM 661 N GLY A 46 2.998 -0.554 -8.390 1.00 0.00 N ATOM 662 CA GLY A 46 3.910 -0.917 -7.322 1.00 0.00 C ATOM 663 C GLY A 46 4.464 0.284 -6.584 1.00 0.00 C ATOM 664 O GLY A 46 5.470 0.863 -6.993 1.00 0.00 O ATOM 0 H GLY A 46 2.376 0.227 -8.180 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.393 -1.565 -6.614 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.736 -1.494 -7.737 1.00 0.00 H new ATOM 668 N PHE A 47 3.811 0.653 -5.488 1.00 0.00 N ATOM 669 CA PHE A 47 4.251 1.784 -4.683 1.00 0.00 C ATOM 670 C PHE A 47 5.503 1.417 -3.902 1.00 0.00 C ATOM 671 O PHE A 47 5.827 0.238 -3.756 1.00 0.00 O ATOM 672 CB PHE A 47 3.142 2.215 -3.716 1.00 0.00 C ATOM 673 CG PHE A 47 2.739 3.657 -3.847 1.00 0.00 C ATOM 674 CD1 PHE A 47 2.778 4.296 -5.074 1.00 0.00 C ATOM 675 CD2 PHE A 47 2.313 4.371 -2.739 1.00 0.00 C ATOM 676 CE1 PHE A 47 2.403 5.618 -5.197 1.00 0.00 C ATOM 677 CE2 PHE A 47 1.936 5.694 -2.855 1.00 0.00 C ATOM 678 CZ PHE A 47 1.981 6.318 -4.088 1.00 0.00 C ATOM 0 H PHE A 47 2.975 0.185 -5.137 1.00 0.00 H new ATOM 0 HA PHE A 47 4.479 2.615 -5.350 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.266 1.588 -3.882 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.475 2.033 -2.694 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.107 3.752 -5.947 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.275 3.887 -1.774 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.440 6.103 -6.161 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.606 6.241 -1.984 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.686 7.353 -4.182 1.00 0.00 H new ATOM 688 N GLU A 48 6.203 2.423 -3.395 1.00 0.00 N ATOM 689 CA GLU A 48 7.417 2.167 -2.622 1.00 0.00 C ATOM 690 C GLU A 48 7.118 2.227 -1.130 1.00 0.00 C ATOM 691 O GLU A 48 7.635 3.081 -0.411 1.00 0.00 O ATOM 692 CB GLU A 48 8.546 3.153 -2.971 1.00 0.00 C ATOM 693 CG GLU A 48 8.277 4.026 -4.186 1.00 0.00 C ATOM 694 CD GLU A 48 9.308 3.837 -5.282 1.00 0.00 C ATOM 695 OE1 GLU A 48 9.884 2.732 -5.371 1.00 0.00 O ATOM 696 OE2 GLU A 48 9.539 4.793 -6.052 1.00 0.00 O ATOM 0 H GLU A 48 5.960 3.408 -3.500 1.00 0.00 H new ATOM 0 HA GLU A 48 7.760 1.166 -2.884 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.725 3.798 -2.110 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.462 2.588 -3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.287 3.797 -4.581 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.265 5.072 -3.881 1.00 0.00 H new ATOM 703 N TYR A 49 6.282 1.307 -0.670 1.00 0.00 N ATOM 704 CA TYR A 49 5.920 1.246 0.737 1.00 0.00 C ATOM 705 C TYR A 49 6.614 0.103 1.433 1.00 0.00 C ATOM 706 O TYR A 49 7.086 -0.844 0.807 1.00 0.00 O ATOM 707 CB TYR A 49 4.432 1.073 0.926 1.00 0.00 C ATOM 708 CG TYR A 49 3.838 -0.096 0.201 1.00 0.00 C ATOM 709 CD1 TYR A 49 4.121 -1.391 0.604 1.00 0.00 C ATOM 710 CD2 TYR A 49 2.983 0.094 -0.869 1.00 0.00 C ATOM 711 CE1 TYR A 49 3.570 -2.470 -0.045 1.00 0.00 C ATOM 712 CE2 TYR A 49 2.423 -0.979 -1.523 1.00 0.00 C ATOM 713 CZ TYR A 49 2.719 -2.258 -1.109 1.00 0.00 C ATOM 714 OH TYR A 49 2.160 -3.325 -1.757 1.00 0.00 O ATOM 0 H TYR A 49 5.842 0.593 -1.251 1.00 0.00 H new ATOM 0 HA TYR A 49 6.235 2.195 1.172 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.225 0.965 1.991 1.00 0.00 H new ATOM 0 HB3 TYR A 49 3.930 1.982 0.594 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.784 -1.555 1.440 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.752 1.097 -1.195 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.802 -3.475 0.276 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.755 -0.819 -2.356 1.00 0.00 H new ATOM 0 HH TYR A 49 1.744 -3.020 -2.590 1.00 0.00 H new ATOM 724 N SER A 50 6.631 0.194 2.741 1.00 0.00 N ATOM 725 CA SER A 50 7.222 -0.828 3.573 1.00 0.00 C ATOM 726 C SER A 50 6.284 -1.127 4.723 1.00 0.00 C ATOM 727 O SER A 50 6.288 -0.435 5.739 1.00 0.00 O ATOM 728 CB SER A 50 8.576 -0.378 4.100 1.00 0.00 C ATOM 729 OG SER A 50 9.352 0.220 3.077 1.00 0.00 O ATOM 0 H SER A 50 6.236 0.978 3.259 1.00 0.00 H new ATOM 0 HA SER A 50 7.377 -1.729 2.980 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.434 0.332 4.914 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.111 -1.233 4.513 1.00 0.00 H new ATOM 0 HG SER A 50 10.216 0.501 3.444 1.00 0.00 H new ATOM 735 N ASN A 51 5.456 -2.141 4.544 1.00 0.00 N ATOM 736 CA ASN A 51 4.486 -2.503 5.561 1.00 0.00 C ATOM 737 C ASN A 51 5.126 -2.595 6.933 1.00 0.00 C ATOM 738 O ASN A 51 6.152 -3.247 7.122 1.00 0.00 O ATOM 739 CB ASN A 51 3.796 -3.815 5.227 1.00 0.00 C ATOM 740 CG ASN A 51 3.206 -3.825 3.830 1.00 0.00 C ATOM 741 OD1 ASN A 51 3.781 -3.264 2.898 1.00 0.00 O ATOM 742 ND2 ASN A 51 2.051 -4.462 3.681 1.00 0.00 N ATOM 0 H ASN A 51 5.436 -2.725 3.708 1.00 0.00 H new ATOM 0 HA ASN A 51 3.738 -1.710 5.580 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.512 -4.632 5.321 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.004 -4.000 5.953 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.604 -4.500 2.765 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.610 -4.913 4.483 1.00 0.00 H new ATOM 749 N GLY A 52 4.500 -1.928 7.882 1.00 0.00 N ATOM 750 CA GLY A 52 4.993 -1.921 9.246 1.00 0.00 C ATOM 751 C GLY A 52 5.468 -0.549 9.687 1.00 0.00 C ATOM 752 O GLY A 52 5.651 0.342 8.858 1.00 0.00 O ATOM 0 H GLY A 52 3.650 -1.384 7.735 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.203 -2.261 9.916 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.814 -2.632 9.335 1.00 0.00 H new ATOM 756 N PRO A 53 5.675 -0.347 10.999 1.00 0.00 N ATOM 757 CA PRO A 53 6.131 0.940 11.538 1.00 0.00 C ATOM 758 C PRO A 53 7.538 1.301 11.073 1.00 0.00 C ATOM 759 O PRO A 53 8.513 0.647 11.444 1.00 0.00 O ATOM 760 CB PRO A 53 6.108 0.725 13.056 1.00 0.00 C ATOM 761 CG PRO A 53 6.196 -0.751 13.235 1.00 0.00 C ATOM 762 CD PRO A 53 5.480 -1.351 12.059 1.00 0.00 C ATOM 0 HA PRO A 53 5.501 1.764 11.202 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.943 1.232 13.540 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.194 1.123 13.498 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.235 -1.079 13.269 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.734 -1.059 14.173 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.901 -2.317 11.781 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.423 -1.513 12.271 1.00 0.00 H new ATOM 770 N CYS A 54 7.637 2.350 10.263 1.00 0.00 N ATOM 771 CA CYS A 54 8.924 2.805 9.752 1.00 0.00 C ATOM 772 C CYS A 54 8.855 4.277 9.347 1.00 0.00 C ATOM 773 O CYS A 54 9.750 5.057 9.671 1.00 0.00 O ATOM 774 CB CYS A 54 9.371 1.920 8.572 1.00 0.00 C ATOM 775 SG CYS A 54 9.134 2.641 6.909 1.00 0.00 S ATOM 0 H CYS A 54 6.840 2.901 9.946 1.00 0.00 H new ATOM 0 HA CYS A 54 9.667 2.716 10.544 1.00 0.00 H new ATOM 0 HB2 CYS A 54 10.427 1.683 8.699 1.00 0.00 H new ATOM 0 HB3 CYS A 54 8.825 0.978 8.621 1.00 0.00 H new ATOM 780 N GLU A 55 7.777 4.636 8.641 1.00 0.00 N ATOM 781 CA GLU A 55 7.539 6.009 8.168 1.00 0.00 C ATOM 782 C GLU A 55 8.761 6.914 8.346 1.00 0.00 C ATOM 783 O GLU A 55 9.812 6.609 7.743 1.00 0.00 O ATOM 784 CB GLU A 55 6.329 6.607 8.891 1.00 0.00 C ATOM 785 CG GLU A 55 6.544 6.798 10.386 1.00 0.00 C ATOM 786 CD GLU A 55 6.200 8.199 10.851 1.00 0.00 C ATOM 787 OE1 GLU A 55 5.009 8.570 10.789 1.00 0.00 O ATOM 788 OE2 GLU A 55 7.123 8.926 11.276 1.00 0.00 O ATOM 789 OXT GLU A 55 8.657 7.918 9.083 1.00 0.00 O ATOM 0 H GLU A 55 7.040 3.981 8.379 1.00 0.00 H new ATOM 0 HA GLU A 55 7.339 5.952 7.098 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.087 7.570 8.441 1.00 0.00 H new ATOM 0 HB3 GLU A 55 5.467 5.958 8.737 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.934 6.078 10.932 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.585 6.584 10.630 1.00 0.00 H new