USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 434 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= 0.106 K(o=0.73,f=-3.4) USER MOD Set 1.2: A 25 MET CE :methyl 157:sc= -0.164 (180deg=-0.699) USER MOD Set 1.3: A 46 ASN : amide:sc= 0.188 K(o=0.73,f=-4.3!) USER MOD Set 1.4: A 47 ASN : amide:sc= 0.604 K(o=0.73,f=-2.9!) USER MOD Set 2.1: A 21 HIS : no HD1:sc= -2.46 K(o=-3.3,f=-0.4!) USER MOD Set 2.2: A 35 GLN : amide:sc= -0.855 K(o=-3.3,f=-0.4) USER MOD Single : A 1 LEU N :NH3+ 143:sc= 0.00206 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.281 X(o=-0.28,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 8 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0626) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.127 K(o=-0.13,f=-1.1) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00948) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0.181 USER MOD Single : A 39 SER OG : rot 54:sc= 0.48 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -2:sc= 0.844 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot -85:sc= 0.518 USER MOD Single : A 52 THR OG1 : rot 180:sc= -1.46 USER MOD Single : A 56 ASN : amide:sc= -3.17! C(o=-3.2!,f=-13!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 4.340 14.486 2.029 1.00 0.00 N ATOM 2 CA LEU A 1 4.317 13.161 2.627 1.00 0.00 C ATOM 3 C LEU A 1 5.538 12.376 2.307 1.00 0.00 C ATOM 4 O LEU A 1 5.986 12.343 1.170 1.00 0.00 O ATOM 5 CB LEU A 1 3.084 12.375 2.207 1.00 0.00 C ATOM 6 CG LEU A 1 1.828 12.631 3.009 1.00 0.00 C ATOM 7 CD1 LEU A 1 0.660 11.928 2.373 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.027 12.118 4.422 1.00 0.00 C ATOM 0 H1 LEU A 1 3.382 14.743 1.718 1.00 0.00 H new ATOM 0 H2 LEU A 1 4.674 15.178 2.730 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.981 14.486 1.210 1.00 0.00 H new ATOM 0 HA LEU A 1 4.285 13.320 3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.875 12.598 1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.318 11.312 2.266 1.00 0.00 H new ATOM 0 HG LEU A 1 1.624 13.702 3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -0.241 12.118 2.957 1.00 0.00 H new ATOM 0 HD12 LEU A 1 0.520 12.301 1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 1 0.853 10.856 2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.124 12.300 5.006 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.232 11.048 4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.868 12.637 4.883 1.00 0.00 H new ATOM 22 N LYS A 2 6.108 11.812 3.323 1.00 0.00 N ATOM 23 CA LYS A 2 7.199 10.898 3.199 1.00 0.00 C ATOM 24 C LYS A 2 6.723 9.500 3.560 1.00 0.00 C ATOM 25 O LYS A 2 6.399 9.227 4.712 1.00 0.00 O ATOM 26 CB LYS A 2 8.400 11.358 4.036 1.00 0.00 C ATOM 27 CG LYS A 2 8.042 11.898 5.397 1.00 0.00 C ATOM 28 CD LYS A 2 9.269 12.325 6.161 1.00 0.00 C ATOM 29 CE LYS A 2 8.890 12.998 7.463 1.00 0.00 C ATOM 30 NZ LYS A 2 10.075 13.415 8.236 1.00 0.00 N ATOM 0 H LYS A 2 5.820 11.978 4.287 1.00 0.00 H new ATOM 0 HA LYS A 2 7.548 10.874 2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.083 10.518 4.160 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.939 12.128 3.483 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.367 12.747 5.287 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.506 11.136 5.963 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.895 11.457 6.365 1.00 0.00 H new ATOM 0 HD3 LYS A 2 9.861 13.009 5.553 1.00 0.00 H new ATOM 0 HE2 LYS A 2 8.269 13.869 7.253 1.00 0.00 H new ATOM 0 HE3 LYS A 2 8.288 12.315 8.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 9.770 13.871 9.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 10.655 12.581 8.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.636 14.087 7.675 1.00 0.00 H new ATOM 44 N CYS A 3 6.645 8.637 2.583 1.00 0.00 N ATOM 45 CA CYS A 3 6.107 7.304 2.782 1.00 0.00 C ATOM 46 C CYS A 3 6.962 6.257 2.070 1.00 0.00 C ATOM 47 O CYS A 3 7.776 6.598 1.195 1.00 0.00 O ATOM 48 CB CYS A 3 4.650 7.256 2.311 1.00 0.00 C ATOM 49 SG CYS A 3 3.537 8.375 3.230 1.00 0.00 S ATOM 0 H CYS A 3 6.949 8.830 1.629 1.00 0.00 H new ATOM 0 HA CYS A 3 6.131 7.068 3.846 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.612 7.511 1.252 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.281 6.235 2.406 1.00 0.00 H new ATOM 54 N PHE A 4 6.786 4.989 2.418 1.00 0.00 N ATOM 55 CA PHE A 4 7.616 3.934 1.852 1.00 0.00 C ATOM 56 C PHE A 4 7.050 3.492 0.515 1.00 0.00 C ATOM 57 O PHE A 4 6.297 2.539 0.447 1.00 0.00 O ATOM 58 CB PHE A 4 7.704 2.695 2.763 1.00 0.00 C ATOM 59 CG PHE A 4 8.231 2.916 4.151 1.00 0.00 C ATOM 60 CD1 PHE A 4 9.579 3.103 4.368 1.00 0.00 C ATOM 61 CD2 PHE A 4 7.380 2.886 5.242 1.00 0.00 C ATOM 62 CE1 PHE A 4 10.074 3.262 5.641 1.00 0.00 C ATOM 63 CE2 PHE A 4 7.870 3.048 6.521 1.00 0.00 C ATOM 64 CZ PHE A 4 9.221 3.236 6.721 1.00 0.00 C ATOM 0 H PHE A 4 6.083 4.668 3.083 1.00 0.00 H new ATOM 0 HA PHE A 4 8.616 4.353 1.740 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.708 2.259 2.842 1.00 0.00 H new ATOM 0 HB3 PHE A 4 8.337 1.956 2.272 1.00 0.00 H new ATOM 0 HD1 PHE A 4 10.256 3.125 3.527 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.322 2.734 5.090 1.00 0.00 H new ATOM 0 HE1 PHE A 4 11.133 3.407 5.794 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.196 3.028 7.365 1.00 0.00 H new ATOM 0 HZ PHE A 4 9.609 3.362 7.721 1.00 0.00 H new ATOM 74 N GLN A 5 7.338 4.217 -0.535 1.00 0.00 N ATOM 75 CA GLN A 5 6.812 3.819 -1.840 1.00 0.00 C ATOM 76 C GLN A 5 7.709 2.781 -2.503 1.00 0.00 C ATOM 77 O GLN A 5 7.241 1.765 -3.012 1.00 0.00 O ATOM 78 CB GLN A 5 6.646 5.025 -2.754 1.00 0.00 C ATOM 79 CG GLN A 5 6.123 4.696 -4.147 1.00 0.00 C ATOM 80 CD GLN A 5 6.051 5.903 -5.064 1.00 0.00 C ATOM 81 OE1 GLN A 5 6.208 5.775 -6.274 1.00 0.00 O ATOM 82 NE2 GLN A 5 5.802 7.062 -4.518 1.00 0.00 N ATOM 0 H GLN A 5 7.913 5.060 -0.529 1.00 0.00 H new ATOM 0 HA GLN A 5 5.832 3.372 -1.673 1.00 0.00 H new ATOM 0 HB2 GLN A 5 5.964 5.732 -2.281 1.00 0.00 H new ATOM 0 HB3 GLN A 5 7.609 5.527 -2.850 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.767 3.942 -4.600 1.00 0.00 H new ATOM 0 HG3 GLN A 5 5.130 4.256 -4.060 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.677 7.134 -3.508 1.00 0.00 H new ATOM 0 HE22 GLN A 5 5.733 7.896 -5.101 1.00 0.00 H new ATOM 91 N HIS A 6 8.996 2.990 -2.428 1.00 0.00 N ATOM 92 CA HIS A 6 9.941 2.085 -3.076 1.00 0.00 C ATOM 93 C HIS A 6 10.606 1.253 -1.992 1.00 0.00 C ATOM 94 O HIS A 6 11.665 0.679 -2.176 1.00 0.00 O ATOM 95 CB HIS A 6 10.995 2.912 -3.843 1.00 0.00 C ATOM 96 CG HIS A 6 11.734 2.155 -4.924 1.00 0.00 C ATOM 97 ND1 HIS A 6 12.991 1.601 -4.786 1.00 0.00 N ATOM 98 CD2 HIS A 6 11.366 1.916 -6.200 1.00 0.00 C ATOM 99 CE1 HIS A 6 13.339 1.065 -5.961 1.00 0.00 C ATOM 100 NE2 HIS A 6 12.380 1.232 -6.861 1.00 0.00 N ATOM 0 H HIS A 6 9.424 3.771 -1.931 1.00 0.00 H new ATOM 0 HA HIS A 6 9.433 1.432 -3.785 1.00 0.00 H new ATOM 0 HB2 HIS A 6 10.502 3.773 -4.295 1.00 0.00 H new ATOM 0 HB3 HIS A 6 11.722 3.299 -3.129 1.00 0.00 H new ATOM 0 HD2 HIS A 6 10.426 2.211 -6.641 1.00 0.00 H new ATOM 0 HE1 HIS A 6 14.276 0.563 -6.151 1.00 0.00 H new ATOM 0 HE2 HIS A 6 12.385 0.924 -7.833 1.00 0.00 H new ATOM 108 N GLY A 7 9.967 1.213 -0.848 1.00 0.00 N ATOM 109 CA GLY A 7 10.532 0.569 0.308 1.00 0.00 C ATOM 110 C GLY A 7 11.282 1.588 1.114 1.00 0.00 C ATOM 111 O GLY A 7 11.262 1.583 2.333 1.00 0.00 O ATOM 0 H GLY A 7 9.046 1.624 -0.694 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.744 0.117 0.911 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.200 -0.236 0.002 1.00 0.00 H new ATOM 115 N LYS A 8 11.943 2.463 0.408 1.00 0.00 N ATOM 116 CA LYS A 8 12.636 3.569 0.983 1.00 0.00 C ATOM 117 C LYS A 8 11.630 4.684 1.206 1.00 0.00 C ATOM 118 O LYS A 8 10.587 4.745 0.512 1.00 0.00 O ATOM 119 CB LYS A 8 13.720 4.071 0.019 1.00 0.00 C ATOM 120 CG LYS A 8 14.716 3.007 -0.439 1.00 0.00 C ATOM 121 CD LYS A 8 15.727 3.573 -1.442 1.00 0.00 C ATOM 122 CE LYS A 8 16.661 4.611 -0.813 1.00 0.00 C ATOM 123 NZ LYS A 8 17.570 4.012 0.190 1.00 0.00 N ATOM 0 H LYS A 8 12.013 2.420 -0.609 1.00 0.00 H new ATOM 0 HA LYS A 8 13.104 3.266 1.919 1.00 0.00 H new ATOM 0 HB2 LYS A 8 13.235 4.497 -0.860 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.270 4.879 0.502 1.00 0.00 H new ATOM 0 HG2 LYS A 8 15.246 2.608 0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.177 2.176 -0.894 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.321 2.757 -1.854 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.191 4.029 -2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 8 17.251 5.088 -1.596 1.00 0.00 H new ATOM 0 HE3 LYS A 8 16.066 5.393 -0.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 18.282 4.714 0.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 17.021 3.715 1.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 18.046 3.185 -0.223 1.00 0.00 H new ATOM 137 N VAL A 9 11.912 5.529 2.159 1.00 0.00 N ATOM 138 CA VAL A 9 11.084 6.684 2.438 1.00 0.00 C ATOM 139 C VAL A 9 11.230 7.679 1.290 1.00 0.00 C ATOM 140 O VAL A 9 12.313 8.246 1.084 1.00 0.00 O ATOM 141 CB VAL A 9 11.511 7.378 3.760 1.00 0.00 C ATOM 142 CG1 VAL A 9 10.607 8.555 4.079 1.00 0.00 C ATOM 143 CG2 VAL A 9 11.517 6.394 4.908 1.00 0.00 C ATOM 0 H VAL A 9 12.724 5.441 2.770 1.00 0.00 H new ATOM 0 HA VAL A 9 10.050 6.353 2.541 1.00 0.00 H new ATOM 0 HB VAL A 9 12.524 7.755 3.622 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.931 9.021 5.010 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.660 9.284 3.271 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.580 8.206 4.186 1.00 0.00 H new ATOM 0 HG21 VAL A 9 11.819 6.904 5.823 1.00 0.00 H new ATOM 0 HG22 VAL A 9 10.517 5.979 5.037 1.00 0.00 H new ATOM 0 HG23 VAL A 9 12.219 5.588 4.693 1.00 0.00 H new ATOM 153 N VAL A 10 10.185 7.857 0.532 1.00 0.00 N ATOM 154 CA VAL A 10 10.211 8.765 -0.588 1.00 0.00 C ATOM 155 C VAL A 10 9.321 9.948 -0.290 1.00 0.00 C ATOM 156 O VAL A 10 8.375 9.836 0.500 1.00 0.00 O ATOM 157 CB VAL A 10 9.757 8.113 -1.931 1.00 0.00 C ATOM 158 CG1 VAL A 10 10.535 6.843 -2.235 1.00 0.00 C ATOM 159 CG2 VAL A 10 8.258 7.861 -1.962 1.00 0.00 C ATOM 0 H VAL A 10 9.293 7.381 0.669 1.00 0.00 H new ATOM 0 HA VAL A 10 11.249 9.070 -0.719 1.00 0.00 H new ATOM 0 HB VAL A 10 9.983 8.831 -2.719 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.188 6.421 -3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.597 7.076 -2.311 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.378 6.120 -1.434 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.985 7.406 -2.914 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.985 7.189 -1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.728 8.806 -1.846 1.00 0.00 H new ATOM 169 N THR A 11 9.631 11.062 -0.865 1.00 0.00 N ATOM 170 CA THR A 11 8.820 12.219 -0.709 1.00 0.00 C ATOM 171 C THR A 11 7.760 12.195 -1.821 1.00 0.00 C ATOM 172 O THR A 11 8.092 12.191 -3.020 1.00 0.00 O ATOM 173 CB THR A 11 9.681 13.482 -0.821 1.00 0.00 C ATOM 174 OG1 THR A 11 10.861 13.308 -0.008 1.00 0.00 O ATOM 175 CG2 THR A 11 8.914 14.701 -0.323 1.00 0.00 C ATOM 0 H THR A 11 10.453 11.194 -1.455 1.00 0.00 H new ATOM 0 HA THR A 11 8.342 12.225 0.271 1.00 0.00 H new ATOM 0 HB THR A 11 9.950 13.639 -1.866 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.423 14.108 -0.071 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.543 15.587 -0.411 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.013 14.834 -0.922 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.637 14.555 0.721 1.00 0.00 H new ATOM 183 N CYS A 12 6.527 12.116 -1.429 1.00 0.00 N ATOM 184 CA CYS A 12 5.424 12.057 -2.347 1.00 0.00 C ATOM 185 C CYS A 12 5.182 13.437 -2.970 1.00 0.00 C ATOM 186 O CYS A 12 5.572 14.469 -2.393 1.00 0.00 O ATOM 187 CB CYS A 12 4.169 11.558 -1.625 1.00 0.00 C ATOM 188 SG CYS A 12 4.376 9.964 -0.737 1.00 0.00 S ATOM 0 H CYS A 12 6.250 12.090 -0.448 1.00 0.00 H new ATOM 0 HA CYS A 12 5.662 11.357 -3.148 1.00 0.00 H new ATOM 0 HB2 CYS A 12 3.851 12.318 -0.911 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.366 11.450 -2.354 1.00 0.00 H new ATOM 193 N HIS A 13 4.565 13.447 -4.135 1.00 0.00 N ATOM 194 CA HIS A 13 4.290 14.659 -4.899 1.00 0.00 C ATOM 195 C HIS A 13 3.323 15.573 -4.136 1.00 0.00 C ATOM 196 O HIS A 13 2.609 15.119 -3.229 1.00 0.00 O ATOM 197 CB HIS A 13 3.695 14.254 -6.264 1.00 0.00 C ATOM 198 CG HIS A 13 3.500 15.344 -7.279 1.00 0.00 C ATOM 199 ND1 HIS A 13 2.329 15.534 -7.976 1.00 0.00 N ATOM 200 CD2 HIS A 13 4.368 16.270 -7.751 1.00 0.00 C ATOM 201 CE1 HIS A 13 2.508 16.548 -8.827 1.00 0.00 C ATOM 202 NE2 HIS A 13 3.736 17.033 -8.730 1.00 0.00 N ATOM 0 H HIS A 13 4.232 12.598 -4.591 1.00 0.00 H new ATOM 0 HA HIS A 13 5.215 15.215 -5.052 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.343 13.496 -6.703 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.729 13.783 -6.085 1.00 0.00 H new ATOM 0 HD2 HIS A 13 5.388 16.397 -7.421 1.00 0.00 H new ATOM 0 HE1 HIS A 13 1.753 16.922 -9.503 1.00 0.00 H new ATOM 0 HE2 HIS A 13 4.136 17.806 -9.262 1.00 0.00 H new ATOM 210 N ARG A 14 3.308 16.838 -4.514 1.00 0.00 N ATOM 211 CA ARG A 14 2.443 17.880 -3.917 1.00 0.00 C ATOM 212 C ARG A 14 0.994 17.415 -3.944 1.00 0.00 C ATOM 213 O ARG A 14 0.240 17.593 -2.989 1.00 0.00 O ATOM 214 CB ARG A 14 2.439 19.123 -4.785 1.00 0.00 C ATOM 215 CG ARG A 14 3.760 19.593 -5.339 1.00 0.00 C ATOM 216 CD ARG A 14 3.507 20.635 -6.416 1.00 0.00 C ATOM 217 NE ARG A 14 2.554 20.111 -7.431 1.00 0.00 N ATOM 218 CZ ARG A 14 2.498 20.437 -8.710 1.00 0.00 C ATOM 219 NH1 ARG A 14 3.375 21.282 -9.237 1.00 0.00 N ATOM 220 NH2 ARG A 14 1.552 19.894 -9.460 1.00 0.00 N ATOM 0 H ARG A 14 3.905 17.194 -5.261 1.00 0.00 H new ATOM 0 HA ARG A 14 2.818 18.072 -2.912 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.767 18.944 -5.625 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.010 19.938 -4.202 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.372 20.017 -4.543 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.314 18.751 -5.754 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.106 21.543 -5.966 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.447 20.906 -6.896 1.00 0.00 H new ATOM 0 HE ARG A 14 1.871 19.427 -7.105 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.105 21.689 -8.653 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.319 21.524 -10.226 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.887 19.240 -9.048 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.488 20.130 -10.450 1.00 0.00 H new ATOM 234 N ASP A 15 0.634 16.790 -5.054 1.00 0.00 N ATOM 235 CA ASP A 15 -0.746 16.401 -5.338 1.00 0.00 C ATOM 236 C ASP A 15 -1.123 15.138 -4.618 1.00 0.00 C ATOM 237 O ASP A 15 -2.292 14.742 -4.591 1.00 0.00 O ATOM 238 CB ASP A 15 -0.960 16.248 -6.854 1.00 0.00 C ATOM 239 CG ASP A 15 -0.874 17.575 -7.602 1.00 0.00 C ATOM 240 OD1 ASP A 15 0.197 18.235 -7.592 1.00 0.00 O ATOM 241 OD2 ASP A 15 -1.871 17.995 -8.220 1.00 0.00 O ATOM 0 H ASP A 15 1.292 16.535 -5.790 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.398 17.194 -4.971 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.213 15.562 -7.254 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.936 15.797 -7.035 1.00 0.00 H new ATOM 246 N MET A 16 -0.145 14.512 -4.018 1.00 0.00 N ATOM 247 CA MET A 16 -0.354 13.295 -3.298 1.00 0.00 C ATOM 248 C MET A 16 -0.619 13.603 -1.858 1.00 0.00 C ATOM 249 O MET A 16 0.286 13.937 -1.089 1.00 0.00 O ATOM 250 CB MET A 16 0.806 12.310 -3.486 1.00 0.00 C ATOM 251 CG MET A 16 0.772 11.576 -4.808 1.00 0.00 C ATOM 252 SD MET A 16 0.751 12.648 -6.246 1.00 0.00 S ATOM 253 CE MET A 16 0.531 11.415 -7.494 1.00 0.00 C ATOM 0 H MET A 16 0.822 14.838 -4.018 1.00 0.00 H new ATOM 0 HA MET A 16 -1.232 12.793 -3.705 1.00 0.00 H new ATOM 0 HB2 MET A 16 1.748 12.852 -3.406 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.787 11.582 -2.675 1.00 0.00 H new ATOM 0 HG2 MET A 16 1.642 10.922 -4.870 1.00 0.00 H new ATOM 0 HG3 MET A 16 -0.110 10.937 -4.833 1.00 0.00 H new ATOM 0 HE1 MET A 16 0.493 11.892 -8.474 1.00 0.00 H new ATOM 0 HE2 MET A 16 1.365 10.714 -7.464 1.00 0.00 H new ATOM 0 HE3 MET A 16 -0.401 10.879 -7.315 1.00 0.00 H new ATOM 263 N LYS A 17 -1.870 13.548 -1.524 1.00 0.00 N ATOM 264 CA LYS A 17 -2.365 13.884 -0.212 1.00 0.00 C ATOM 265 C LYS A 17 -2.350 12.688 0.696 1.00 0.00 C ATOM 266 O LYS A 17 -2.408 12.822 1.926 1.00 0.00 O ATOM 267 CB LYS A 17 -3.792 14.365 -0.342 1.00 0.00 C ATOM 268 CG LYS A 17 -3.956 15.627 -1.150 1.00 0.00 C ATOM 269 CD LYS A 17 -5.416 15.876 -1.483 1.00 0.00 C ATOM 270 CE LYS A 17 -6.307 16.016 -0.245 1.00 0.00 C ATOM 271 NZ LYS A 17 -5.934 17.171 0.593 1.00 0.00 N ATOM 0 H LYS A 17 -2.603 13.260 -2.172 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.724 14.656 0.213 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.388 13.575 -0.800 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.198 14.532 0.656 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.557 16.474 -0.592 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.377 15.551 -2.071 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.495 16.783 -2.083 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.786 15.055 -2.097 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.346 16.120 -0.559 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.243 15.105 0.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.598 17.251 1.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.969 17.038 0.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.971 18.040 0.023 1.00 0.00 H new ATOM 285 N PHE A 18 -2.296 11.519 0.107 1.00 0.00 N ATOM 286 CA PHE A 18 -2.387 10.305 0.863 1.00 0.00 C ATOM 287 C PHE A 18 -1.339 9.326 0.399 1.00 0.00 C ATOM 288 O PHE A 18 -0.856 9.403 -0.732 1.00 0.00 O ATOM 289 CB PHE A 18 -3.778 9.666 0.670 1.00 0.00 C ATOM 290 CG PHE A 18 -4.944 10.590 0.928 1.00 0.00 C ATOM 291 CD1 PHE A 18 -5.441 10.772 2.204 1.00 0.00 C ATOM 292 CD2 PHE A 18 -5.543 11.271 -0.120 1.00 0.00 C ATOM 293 CE1 PHE A 18 -6.510 11.616 2.429 1.00 0.00 C ATOM 294 CE2 PHE A 18 -6.613 12.113 0.098 1.00 0.00 C ATOM 295 CZ PHE A 18 -7.099 12.285 1.376 1.00 0.00 C ATOM 0 H PHE A 18 -2.189 11.387 -0.899 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.231 10.542 1.915 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.850 9.290 -0.350 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.862 8.805 1.334 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.989 10.249 3.034 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.166 11.140 -1.123 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -6.886 11.753 3.432 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.069 12.636 -0.730 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.938 12.941 1.553 1.00 0.00 H new ATOM 305 N CYS A 19 -0.988 8.449 1.261 1.00 0.00 N ATOM 306 CA CYS A 19 -0.143 7.344 0.960 1.00 0.00 C ATOM 307 C CYS A 19 -1.004 6.120 1.112 1.00 0.00 C ATOM 308 O CYS A 19 -1.916 6.116 1.939 1.00 0.00 O ATOM 309 CB CYS A 19 1.032 7.292 1.932 1.00 0.00 C ATOM 310 SG CYS A 19 2.069 8.785 1.904 1.00 0.00 S ATOM 0 H CYS A 19 -1.290 8.477 2.235 1.00 0.00 H new ATOM 0 HA CYS A 19 0.276 7.419 -0.044 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.650 7.144 2.942 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.650 6.426 1.695 1.00 0.00 H new ATOM 315 N TYR A 20 -0.786 5.123 0.323 1.00 0.00 N ATOM 316 CA TYR A 20 -1.606 3.950 0.405 1.00 0.00 C ATOM 317 C TYR A 20 -0.780 2.719 0.620 1.00 0.00 C ATOM 318 O TYR A 20 0.384 2.672 0.240 1.00 0.00 O ATOM 319 CB TYR A 20 -2.548 3.803 -0.811 1.00 0.00 C ATOM 320 CG TYR A 20 -1.865 3.706 -2.163 1.00 0.00 C ATOM 321 CD1 TYR A 20 -1.518 4.846 -2.860 1.00 0.00 C ATOM 322 CD2 TYR A 20 -1.595 2.477 -2.747 1.00 0.00 C ATOM 323 CE1 TYR A 20 -0.921 4.772 -4.096 1.00 0.00 C ATOM 324 CE2 TYR A 20 -0.991 2.396 -3.983 1.00 0.00 C ATOM 325 CZ TYR A 20 -0.659 3.551 -4.651 1.00 0.00 C ATOM 326 OH TYR A 20 -0.076 3.487 -5.885 1.00 0.00 O ATOM 0 H TYR A 20 -0.052 5.091 -0.385 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.246 4.073 1.278 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.159 2.912 -0.668 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.226 4.656 -0.827 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.719 5.814 -2.426 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.862 1.570 -2.225 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.660 5.676 -4.627 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.780 1.433 -4.424 1.00 0.00 H new ATOM 0 HH TYR A 20 0.046 2.549 -6.141 1.00 0.00 H new ATOM 336 N HIS A 21 -1.373 1.770 1.275 1.00 0.00 N ATOM 337 CA HIS A 21 -0.797 0.492 1.552 1.00 0.00 C ATOM 338 C HIS A 21 -1.794 -0.538 1.067 1.00 0.00 C ATOM 339 O HIS A 21 -2.905 -0.625 1.595 1.00 0.00 O ATOM 340 CB HIS A 21 -0.582 0.365 3.066 1.00 0.00 C ATOM 341 CG HIS A 21 0.196 -0.836 3.489 1.00 0.00 C ATOM 342 ND1 HIS A 21 -0.291 -1.820 4.315 1.00 0.00 N ATOM 343 CD2 HIS A 21 1.473 -1.171 3.225 1.00 0.00 C ATOM 344 CE1 HIS A 21 0.685 -2.704 4.529 1.00 0.00 C ATOM 345 NE2 HIS A 21 1.781 -2.358 3.890 1.00 0.00 N ATOM 0 H HIS A 21 -2.317 1.871 1.649 1.00 0.00 H new ATOM 0 HA HIS A 21 0.165 0.355 1.059 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.068 1.258 3.422 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -1.555 0.341 3.556 1.00 0.00 H new ATOM 0 HD2 HIS A 21 2.151 -0.610 2.598 1.00 0.00 H new ATOM 0 HE1 HIS A 21 0.588 -3.586 5.145 1.00 0.00 H new ATOM 0 HE2 HIS A 21 2.672 -2.855 3.882 1.00 0.00 H new ATOM 353 N ASN A 22 -1.442 -1.252 0.038 1.00 0.00 N ATOM 354 CA ASN A 22 -2.360 -2.211 -0.559 1.00 0.00 C ATOM 355 C ASN A 22 -1.996 -3.607 -0.126 1.00 0.00 C ATOM 356 O ASN A 22 -0.997 -4.167 -0.582 1.00 0.00 O ATOM 357 CB ASN A 22 -2.294 -2.115 -2.076 1.00 0.00 C ATOM 358 CG ASN A 22 -3.420 -2.817 -2.793 1.00 0.00 C ATOM 359 OD1 ASN A 22 -3.369 -4.017 -3.069 1.00 0.00 O ATOM 360 ND2 ASN A 22 -4.427 -2.064 -3.156 1.00 0.00 N ATOM 0 H ASN A 22 -0.529 -1.197 -0.414 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.373 -1.984 -0.228 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.297 -1.063 -2.362 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.346 -2.535 -2.414 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.201 -2.467 -3.684 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.438 -1.074 -2.911 1.00 0.00 H new ATOM 367 N THR A 23 -2.774 -4.157 0.751 1.00 0.00 N ATOM 368 CA THR A 23 -2.518 -5.469 1.265 1.00 0.00 C ATOM 369 C THR A 23 -3.830 -6.110 1.716 1.00 0.00 C ATOM 370 O THR A 23 -4.812 -5.426 1.971 1.00 0.00 O ATOM 371 CB THR A 23 -1.494 -5.430 2.441 1.00 0.00 C ATOM 372 OG1 THR A 23 -1.057 -6.762 2.772 1.00 0.00 O ATOM 373 CG2 THR A 23 -2.112 -4.783 3.678 1.00 0.00 C ATOM 0 H THR A 23 -3.607 -3.710 1.133 1.00 0.00 H new ATOM 0 HA THR A 23 -2.079 -6.071 0.469 1.00 0.00 H new ATOM 0 HB THR A 23 -0.639 -4.836 2.118 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.414 -6.721 3.510 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.379 -4.767 4.485 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.414 -3.763 3.442 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.984 -5.357 3.991 1.00 0.00 H new ATOM 381 N GLY A 24 -3.828 -7.397 1.821 1.00 0.00 N ATOM 382 CA GLY A 24 -4.998 -8.137 2.191 1.00 0.00 C ATOM 383 C GLY A 24 -5.034 -9.364 1.388 1.00 0.00 C ATOM 384 O GLY A 24 -5.131 -10.480 1.906 1.00 0.00 O ATOM 0 H GLY A 24 -3.006 -7.976 1.651 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.976 -8.378 3.254 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.895 -7.542 2.018 1.00 0.00 H new ATOM 388 N MET A 25 -4.911 -9.158 0.124 1.00 0.00 N ATOM 389 CA MET A 25 -4.811 -10.225 -0.828 1.00 0.00 C ATOM 390 C MET A 25 -3.412 -10.837 -0.730 1.00 0.00 C ATOM 391 O MET A 25 -2.404 -10.109 -0.711 1.00 0.00 O ATOM 392 CB MET A 25 -5.132 -9.727 -2.253 1.00 0.00 C ATOM 393 CG MET A 25 -4.312 -8.528 -2.715 1.00 0.00 C ATOM 394 SD MET A 25 -4.772 -7.935 -4.367 1.00 0.00 S ATOM 395 CE MET A 25 -6.511 -7.530 -4.130 1.00 0.00 C ATOM 0 H MET A 25 -4.876 -8.228 -0.293 1.00 0.00 H new ATOM 0 HA MET A 25 -5.547 -10.996 -0.602 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.974 -10.548 -2.953 1.00 0.00 H new ATOM 0 HB3 MET A 25 -6.189 -9.466 -2.301 1.00 0.00 H new ATOM 0 HG2 MET A 25 -4.434 -7.716 -1.998 1.00 0.00 H new ATOM 0 HG3 MET A 25 -3.256 -8.797 -2.715 1.00 0.00 H new ATOM 0 HE1 MET A 25 -6.821 -6.802 -4.880 1.00 0.00 H new ATOM 0 HE2 MET A 25 -7.112 -8.434 -4.231 1.00 0.00 H new ATOM 0 HE3 MET A 25 -6.654 -7.109 -3.135 1.00 0.00 H new ATOM 405 N PRO A 26 -3.331 -12.154 -0.581 1.00 0.00 N ATOM 406 CA PRO A 26 -2.073 -12.844 -0.437 1.00 0.00 C ATOM 407 C PRO A 26 -1.428 -13.124 -1.780 1.00 0.00 C ATOM 408 O PRO A 26 -2.107 -13.284 -2.804 1.00 0.00 O ATOM 409 CB PRO A 26 -2.479 -14.144 0.242 1.00 0.00 C ATOM 410 CG PRO A 26 -3.813 -14.433 -0.336 1.00 0.00 C ATOM 411 CD PRO A 26 -4.466 -13.093 -0.531 1.00 0.00 C ATOM 0 HA PRO A 26 -1.336 -12.265 0.120 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.769 -14.945 0.034 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -2.526 -14.034 1.325 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -3.723 -14.967 -1.282 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -4.402 -15.063 0.331 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.051 -13.063 -1.450 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -5.146 -12.856 0.288 1.00 0.00 H new ATOM 419 N PHE A 27 -0.144 -13.166 -1.779 1.00 0.00 N ATOM 420 CA PHE A 27 0.604 -13.446 -2.976 1.00 0.00 C ATOM 421 C PHE A 27 1.580 -14.574 -2.738 1.00 0.00 C ATOM 422 O PHE A 27 2.262 -14.612 -1.711 1.00 0.00 O ATOM 423 CB PHE A 27 1.320 -12.196 -3.498 1.00 0.00 C ATOM 424 CG PHE A 27 0.400 -11.119 -3.998 1.00 0.00 C ATOM 425 CD1 PHE A 27 -0.037 -11.129 -5.306 1.00 0.00 C ATOM 426 CD2 PHE A 27 -0.019 -10.099 -3.166 1.00 0.00 C ATOM 427 CE1 PHE A 27 -0.876 -10.147 -5.782 1.00 0.00 C ATOM 428 CE2 PHE A 27 -0.855 -9.109 -3.634 1.00 0.00 C ATOM 429 CZ PHE A 27 -1.286 -9.132 -4.945 1.00 0.00 C ATOM 0 H PHE A 27 0.430 -13.008 -0.951 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.101 -13.759 -3.746 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.939 -11.787 -2.700 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.992 -12.487 -4.305 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.284 -11.920 -5.967 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.312 -10.077 -2.138 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -1.212 -10.172 -6.808 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.173 -8.315 -2.975 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.942 -8.357 -5.313 1.00 0.00 H new ATOM 439 N ARG A 28 1.628 -15.496 -3.663 1.00 0.00 N ATOM 440 CA ARG A 28 2.495 -16.651 -3.564 1.00 0.00 C ATOM 441 C ARG A 28 3.601 -16.559 -4.611 1.00 0.00 C ATOM 442 O ARG A 28 3.337 -16.196 -5.774 1.00 0.00 O ATOM 443 CB ARG A 28 1.674 -17.943 -3.709 1.00 0.00 C ATOM 444 CG ARG A 28 0.922 -18.076 -5.028 1.00 0.00 C ATOM 445 CD ARG A 28 -0.056 -19.232 -4.995 1.00 0.00 C ATOM 446 NE ARG A 28 0.591 -20.517 -4.718 1.00 0.00 N ATOM 447 CZ ARG A 28 -0.064 -21.657 -4.477 1.00 0.00 C ATOM 448 NH1 ARG A 28 -1.399 -21.682 -4.507 1.00 0.00 N ATOM 449 NH2 ARG A 28 0.610 -22.770 -4.211 1.00 0.00 N ATOM 0 H ARG A 28 1.065 -15.471 -4.513 1.00 0.00 H new ATOM 0 HA ARG A 28 2.967 -16.672 -2.582 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.343 -18.797 -3.600 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.956 -17.995 -2.890 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.386 -17.150 -5.237 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.634 -18.223 -5.841 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.812 -19.040 -4.234 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.574 -19.291 -5.952 1.00 0.00 H new ATOM 0 HE ARG A 28 1.611 -20.543 -4.708 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.921 -20.830 -4.714 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.897 -22.553 -4.323 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.630 -22.756 -4.190 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.108 -23.639 -4.027 1.00 0.00 H new ATOM 463 N ASN A 29 4.837 -16.834 -4.183 1.00 0.00 N ATOM 464 CA ASN A 29 6.065 -16.732 -5.028 1.00 0.00 C ATOM 465 C ASN A 29 6.305 -15.310 -5.492 1.00 0.00 C ATOM 466 O ASN A 29 7.051 -15.060 -6.440 1.00 0.00 O ATOM 467 CB ASN A 29 6.066 -17.697 -6.231 1.00 0.00 C ATOM 468 CG ASN A 29 6.347 -19.139 -5.855 1.00 0.00 C ATOM 469 OD1 ASN A 29 5.997 -19.601 -4.768 1.00 0.00 O ATOM 470 ND2 ASN A 29 6.983 -19.856 -6.738 1.00 0.00 N ATOM 0 H ASN A 29 5.032 -17.139 -3.229 1.00 0.00 H new ATOM 0 HA ASN A 29 6.888 -17.036 -4.381 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.098 -17.643 -6.730 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.815 -17.366 -6.951 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.205 -20.831 -6.539 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.258 -19.442 -7.629 1.00 0.00 H new ATOM 477 N LEU A 30 5.704 -14.394 -4.794 1.00 0.00 N ATOM 478 CA LEU A 30 5.788 -12.993 -5.067 1.00 0.00 C ATOM 479 C LEU A 30 5.202 -12.286 -3.878 1.00 0.00 C ATOM 480 O LEU A 30 4.347 -12.847 -3.195 1.00 0.00 O ATOM 481 CB LEU A 30 4.955 -12.641 -6.316 1.00 0.00 C ATOM 482 CG LEU A 30 4.973 -11.170 -6.759 1.00 0.00 C ATOM 483 CD1 LEU A 30 6.351 -10.760 -7.251 1.00 0.00 C ATOM 484 CD2 LEU A 30 3.922 -10.914 -7.818 1.00 0.00 C ATOM 0 H LEU A 30 5.119 -14.612 -3.987 1.00 0.00 H new ATOM 0 HA LEU A 30 6.822 -12.699 -5.247 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.310 -13.252 -7.146 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.920 -12.928 -6.128 1.00 0.00 H new ATOM 0 HG LEU A 30 4.735 -10.557 -5.890 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.332 -9.714 -7.557 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.077 -10.890 -6.449 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.634 -11.382 -8.100 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.954 -9.866 -8.116 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.119 -11.544 -8.685 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.936 -11.147 -7.416 1.00 0.00 H new ATOM 496 N LYS A 31 5.673 -11.121 -3.588 1.00 0.00 N ATOM 497 CA LYS A 31 5.089 -10.326 -2.560 1.00 0.00 C ATOM 498 C LYS A 31 4.814 -8.964 -3.138 1.00 0.00 C ATOM 499 O LYS A 31 5.670 -8.088 -3.127 1.00 0.00 O ATOM 500 CB LYS A 31 5.992 -10.237 -1.314 1.00 0.00 C ATOM 501 CG LYS A 31 5.379 -9.476 -0.133 1.00 0.00 C ATOM 502 CD LYS A 31 4.119 -10.157 0.394 1.00 0.00 C ATOM 503 CE LYS A 31 3.531 -9.397 1.576 1.00 0.00 C ATOM 504 NZ LYS A 31 2.326 -10.058 2.119 1.00 0.00 N ATOM 0 H LYS A 31 6.472 -10.693 -4.055 1.00 0.00 H new ATOM 0 HA LYS A 31 4.162 -10.788 -2.221 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.240 -11.247 -0.989 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.928 -9.754 -1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.113 -9.400 0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.139 -8.459 -0.443 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.378 -10.223 -0.403 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.354 -11.178 0.696 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.282 -9.312 2.361 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.279 -8.383 1.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.960 -9.507 2.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.599 -10.117 1.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.571 -11.016 2.440 1.00 0.00 H new ATOM 518 N LEU A 32 3.663 -8.820 -3.724 1.00 0.00 N ATOM 519 CA LEU A 32 3.296 -7.577 -4.330 1.00 0.00 C ATOM 520 C LEU A 32 2.656 -6.696 -3.288 1.00 0.00 C ATOM 521 O LEU A 32 1.577 -7.004 -2.777 1.00 0.00 O ATOM 522 CB LEU A 32 2.342 -7.809 -5.509 1.00 0.00 C ATOM 523 CG LEU A 32 1.898 -6.558 -6.279 1.00 0.00 C ATOM 524 CD1 LEU A 32 3.088 -5.862 -6.923 1.00 0.00 C ATOM 525 CD2 LEU A 32 0.860 -6.920 -7.325 1.00 0.00 C ATOM 0 H LEU A 32 2.958 -9.554 -3.795 1.00 0.00 H new ATOM 0 HA LEU A 32 4.187 -7.086 -4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.824 -8.490 -6.211 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.452 -8.315 -5.135 1.00 0.00 H new ATOM 0 HG LEU A 32 1.448 -5.865 -5.569 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.745 -4.979 -7.462 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.796 -5.563 -6.150 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.576 -6.545 -7.618 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.556 -6.022 -7.862 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.286 -7.636 -8.028 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.009 -7.363 -6.838 1.00 0.00 H new ATOM 537 N ILE A 33 3.331 -5.652 -2.931 1.00 0.00 N ATOM 538 CA ILE A 33 2.830 -4.728 -1.964 1.00 0.00 C ATOM 539 C ILE A 33 2.771 -3.326 -2.575 1.00 0.00 C ATOM 540 O ILE A 33 3.782 -2.634 -2.705 1.00 0.00 O ATOM 541 CB ILE A 33 3.660 -4.782 -0.622 1.00 0.00 C ATOM 542 CG1 ILE A 33 3.192 -3.743 0.397 1.00 0.00 C ATOM 543 CG2 ILE A 33 5.168 -4.691 -0.849 1.00 0.00 C ATOM 544 CD1 ILE A 33 1.780 -3.936 0.870 1.00 0.00 C ATOM 0 H ILE A 33 4.250 -5.414 -3.303 1.00 0.00 H new ATOM 0 HA ILE A 33 1.814 -5.013 -1.690 1.00 0.00 H new ATOM 0 HB ILE A 33 3.462 -5.767 -0.199 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.859 -3.770 1.259 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.283 -2.751 -0.045 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.684 -4.733 0.110 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.493 -5.524 -1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.405 -3.751 -1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.528 -3.157 1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.100 -3.878 0.020 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.685 -4.913 1.344 1.00 0.00 H new ATOM 556 N LEU A 34 1.597 -2.932 -3.008 1.00 0.00 N ATOM 557 CA LEU A 34 1.434 -1.651 -3.640 1.00 0.00 C ATOM 558 C LEU A 34 1.229 -0.580 -2.602 1.00 0.00 C ATOM 559 O LEU A 34 0.118 -0.274 -2.199 1.00 0.00 O ATOM 560 CB LEU A 34 0.302 -1.652 -4.684 1.00 0.00 C ATOM 561 CG LEU A 34 0.488 -2.578 -5.895 1.00 0.00 C ATOM 562 CD1 LEU A 34 -0.747 -2.550 -6.781 1.00 0.00 C ATOM 563 CD2 LEU A 34 1.721 -2.175 -6.700 1.00 0.00 C ATOM 0 H LEU A 34 0.742 -3.483 -2.933 1.00 0.00 H new ATOM 0 HA LEU A 34 2.352 -1.433 -4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.625 -1.929 -4.182 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.174 -0.633 -5.050 1.00 0.00 H new ATOM 0 HG LEU A 34 0.632 -3.593 -5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.598 -3.212 -7.634 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.613 -2.885 -6.209 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.917 -1.534 -7.136 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.833 -2.844 -7.553 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.605 -1.151 -7.055 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.606 -2.242 -6.067 1.00 0.00 H new ATOM 575 N GLN A 35 2.302 -0.092 -2.113 1.00 0.00 N ATOM 576 CA GLN A 35 2.281 0.953 -1.157 1.00 0.00 C ATOM 577 C GLN A 35 2.948 2.178 -1.738 1.00 0.00 C ATOM 578 O GLN A 35 4.152 2.207 -1.945 1.00 0.00 O ATOM 579 CB GLN A 35 2.902 0.501 0.170 1.00 0.00 C ATOM 580 CG GLN A 35 4.227 -0.162 0.011 1.00 0.00 C ATOM 581 CD GLN A 35 4.878 -0.522 1.318 1.00 0.00 C ATOM 582 OE1 GLN A 35 4.220 -0.795 2.301 1.00 0.00 O ATOM 583 NE2 GLN A 35 6.166 -0.530 1.332 1.00 0.00 N ATOM 0 H GLN A 35 3.237 -0.410 -2.367 1.00 0.00 H new ATOM 0 HA GLN A 35 1.250 1.219 -0.925 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.014 1.366 0.823 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.218 -0.187 0.667 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.103 -1.066 -0.585 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.891 0.499 -0.547 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.687 -0.295 0.487 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.665 -0.771 2.188 1.00 0.00 H new ATOM 592 N GLY A 36 2.167 3.162 -2.054 1.00 0.00 N ATOM 593 CA GLY A 36 2.707 4.327 -2.687 1.00 0.00 C ATOM 594 C GLY A 36 2.030 5.585 -2.248 1.00 0.00 C ATOM 595 O GLY A 36 1.498 5.650 -1.143 1.00 0.00 O ATOM 0 H GLY A 36 1.161 3.185 -1.887 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.772 4.396 -2.466 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.612 4.226 -3.768 1.00 0.00 H new ATOM 599 N CYS A 37 2.003 6.553 -3.115 1.00 0.00 N ATOM 600 CA CYS A 37 1.446 7.849 -2.813 1.00 0.00 C ATOM 601 C CYS A 37 0.303 8.116 -3.792 1.00 0.00 C ATOM 602 O CYS A 37 0.431 7.830 -4.979 1.00 0.00 O ATOM 603 CB CYS A 37 2.536 8.914 -2.974 1.00 0.00 C ATOM 604 SG CYS A 37 4.128 8.517 -2.146 1.00 0.00 S ATOM 0 H CYS A 37 2.369 6.470 -4.063 1.00 0.00 H new ATOM 0 HA CYS A 37 1.071 7.880 -1.790 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.723 9.065 -4.037 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.163 9.859 -2.579 1.00 0.00 H new ATOM 609 N SER A 38 -0.803 8.637 -3.315 1.00 0.00 N ATOM 610 CA SER A 38 -1.941 8.877 -4.167 1.00 0.00 C ATOM 611 C SER A 38 -2.526 10.265 -3.929 1.00 0.00 C ATOM 612 O SER A 38 -2.365 10.865 -2.847 1.00 0.00 O ATOM 613 CB SER A 38 -3.016 7.793 -3.964 1.00 0.00 C ATOM 614 OG SER A 38 -4.139 8.005 -4.808 1.00 0.00 O ATOM 0 H SER A 38 -0.938 8.903 -2.340 1.00 0.00 H new ATOM 0 HA SER A 38 -1.597 8.830 -5.200 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.587 6.812 -4.168 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.338 7.790 -2.923 1.00 0.00 H new ATOM 0 HG SER A 38 -4.801 7.299 -4.655 1.00 0.00 H new ATOM 620 N SER A 39 -3.177 10.774 -4.939 1.00 0.00 N ATOM 621 CA SER A 39 -3.833 12.038 -4.890 1.00 0.00 C ATOM 622 C SER A 39 -5.203 11.880 -4.202 1.00 0.00 C ATOM 623 O SER A 39 -5.761 12.847 -3.659 1.00 0.00 O ATOM 624 CB SER A 39 -3.987 12.574 -6.330 1.00 0.00 C ATOM 625 OG SER A 39 -4.462 13.912 -6.354 1.00 0.00 O ATOM 0 H SER A 39 -3.264 10.303 -5.840 1.00 0.00 H new ATOM 0 HA SER A 39 -3.246 12.752 -4.312 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.025 12.522 -6.840 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.676 11.935 -6.882 1.00 0.00 H new ATOM 0 HG SER A 39 -3.882 14.475 -5.800 1.00 0.00 H new ATOM 631 N SER A 40 -5.712 10.670 -4.180 1.00 0.00 N ATOM 632 CA SER A 40 -7.004 10.401 -3.617 1.00 0.00 C ATOM 633 C SER A 40 -6.947 9.270 -2.584 1.00 0.00 C ATOM 634 O SER A 40 -5.917 8.600 -2.435 1.00 0.00 O ATOM 635 CB SER A 40 -7.999 10.137 -4.745 1.00 0.00 C ATOM 636 OG SER A 40 -7.401 9.358 -5.781 1.00 0.00 O ATOM 0 H SER A 40 -5.238 9.848 -4.553 1.00 0.00 H new ATOM 0 HA SER A 40 -7.350 11.275 -3.065 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.872 9.616 -4.351 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.351 11.084 -5.154 1.00 0.00 H new ATOM 0 HG SER A 40 -8.057 9.200 -6.492 1.00 0.00 H new ATOM 642 N CYS A 41 -8.023 9.075 -1.867 1.00 0.00 N ATOM 643 CA CYS A 41 -8.056 8.099 -0.814 1.00 0.00 C ATOM 644 C CYS A 41 -9.237 7.172 -1.018 1.00 0.00 C ATOM 645 O CYS A 41 -10.396 7.560 -0.829 1.00 0.00 O ATOM 646 CB CYS A 41 -8.129 8.826 0.541 1.00 0.00 C ATOM 647 SG CYS A 41 -8.043 7.811 2.078 1.00 0.00 S ATOM 0 H CYS A 41 -8.896 9.586 -1.997 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.151 7.491 -0.828 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.316 9.551 0.574 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -9.061 9.391 0.566 1.00 0.00 H new ATOM 652 N SER A 42 -8.945 5.987 -1.484 1.00 0.00 N ATOM 653 CA SER A 42 -9.931 4.964 -1.650 1.00 0.00 C ATOM 654 C SER A 42 -9.875 4.053 -0.436 1.00 0.00 C ATOM 655 O SER A 42 -9.014 3.165 -0.341 1.00 0.00 O ATOM 656 CB SER A 42 -9.657 4.198 -2.928 1.00 0.00 C ATOM 657 OG SER A 42 -9.589 5.101 -4.025 1.00 0.00 O ATOM 0 H SER A 42 -8.004 5.706 -1.761 1.00 0.00 H new ATOM 0 HA SER A 42 -10.930 5.394 -1.729 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.720 3.648 -2.839 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.444 3.463 -3.098 1.00 0.00 H new ATOM 0 HG SER A 42 -9.410 4.602 -4.849 1.00 0.00 H new ATOM 663 N GLU A 43 -10.741 4.318 0.499 1.00 0.00 N ATOM 664 CA GLU A 43 -10.752 3.636 1.761 1.00 0.00 C ATOM 665 C GLU A 43 -11.395 2.271 1.663 1.00 0.00 C ATOM 666 O GLU A 43 -12.616 2.140 1.545 1.00 0.00 O ATOM 667 CB GLU A 43 -11.436 4.498 2.810 1.00 0.00 C ATOM 668 CG GLU A 43 -10.714 5.802 3.061 1.00 0.00 C ATOM 669 CD GLU A 43 -11.403 6.675 4.057 1.00 0.00 C ATOM 670 OE1 GLU A 43 -11.422 6.334 5.252 1.00 0.00 O ATOM 671 OE2 GLU A 43 -11.899 7.750 3.678 1.00 0.00 O ATOM 0 H GLU A 43 -11.470 5.025 0.405 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.718 3.470 2.064 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.457 4.709 2.490 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.503 3.940 3.744 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.704 5.589 3.412 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.617 6.343 2.120 1.00 0.00 H new ATOM 678 N THR A 44 -10.566 1.269 1.664 1.00 0.00 N ATOM 679 CA THR A 44 -10.995 -0.096 1.633 1.00 0.00 C ATOM 680 C THR A 44 -10.169 -0.842 2.668 1.00 0.00 C ATOM 681 O THR A 44 -9.288 -0.233 3.303 1.00 0.00 O ATOM 682 CB THR A 44 -10.782 -0.727 0.225 1.00 0.00 C ATOM 683 OG1 THR A 44 -9.434 -0.555 -0.184 1.00 0.00 O ATOM 684 CG2 THR A 44 -11.703 -0.119 -0.823 1.00 0.00 C ATOM 0 H THR A 44 -9.552 1.381 1.687 1.00 0.00 H new ATOM 0 HA THR A 44 -12.061 -0.159 1.852 1.00 0.00 H new ATOM 0 HB THR A 44 -11.020 -1.787 0.308 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.948 -0.047 0.498 1.00 0.00 H new ATOM 0 HG21 THR A 44 -11.518 -0.591 -1.788 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.741 -0.281 -0.533 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.511 0.951 -0.899 1.00 0.00 H new ATOM 692 N GLU A 45 -10.427 -2.109 2.872 1.00 0.00 N ATOM 693 CA GLU A 45 -9.637 -2.852 3.817 1.00 0.00 C ATOM 694 C GLU A 45 -8.344 -3.295 3.143 1.00 0.00 C ATOM 695 O GLU A 45 -7.314 -3.446 3.790 1.00 0.00 O ATOM 696 CB GLU A 45 -10.404 -4.056 4.382 1.00 0.00 C ATOM 697 CG GLU A 45 -9.673 -4.747 5.530 1.00 0.00 C ATOM 698 CD GLU A 45 -10.399 -5.945 6.070 1.00 0.00 C ATOM 699 OE1 GLU A 45 -11.318 -5.780 6.894 1.00 0.00 O ATOM 700 OE2 GLU A 45 -10.052 -7.078 5.692 1.00 0.00 O ATOM 0 H GLU A 45 -11.164 -2.639 2.406 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.405 -2.206 4.663 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.383 -3.725 4.729 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.576 -4.777 3.583 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.685 -5.055 5.188 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.521 -4.030 6.337 1.00 0.00 H new ATOM 707 N ASN A 46 -8.404 -3.484 1.839 1.00 0.00 N ATOM 708 CA ASN A 46 -7.237 -3.906 1.084 1.00 0.00 C ATOM 709 C ASN A 46 -6.339 -2.711 0.757 1.00 0.00 C ATOM 710 O ASN A 46 -5.136 -2.756 0.962 1.00 0.00 O ATOM 711 CB ASN A 46 -7.646 -4.668 -0.189 1.00 0.00 C ATOM 712 CG ASN A 46 -6.467 -5.251 -0.961 1.00 0.00 C ATOM 713 OD1 ASN A 46 -6.030 -6.384 -0.706 1.00 0.00 O ATOM 714 ND2 ASN A 46 -5.989 -4.535 -1.934 1.00 0.00 N ATOM 0 H ASN A 46 -9.247 -3.353 1.280 1.00 0.00 H new ATOM 0 HA ASN A 46 -6.662 -4.593 1.705 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.325 -5.476 0.084 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.199 -3.994 -0.843 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.233 -4.901 -2.513 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.369 -3.607 -2.119 1.00 0.00 H new ATOM 721 N ASN A 47 -6.920 -1.640 0.274 1.00 0.00 N ATOM 722 CA ASN A 47 -6.167 -0.452 -0.025 1.00 0.00 C ATOM 723 C ASN A 47 -6.406 0.554 1.068 1.00 0.00 C ATOM 724 O ASN A 47 -7.504 1.125 1.180 1.00 0.00 O ATOM 725 CB ASN A 47 -6.567 0.117 -1.384 1.00 0.00 C ATOM 726 CG ASN A 47 -5.819 1.379 -1.745 1.00 0.00 C ATOM 727 OD1 ASN A 47 -4.752 1.323 -2.357 1.00 0.00 O ATOM 728 ND2 ASN A 47 -6.365 2.514 -1.387 1.00 0.00 N ATOM 0 H ASN A 47 -7.919 -1.569 0.079 1.00 0.00 H new ATOM 0 HA ASN A 47 -5.105 -0.694 -0.075 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -6.389 -0.635 -2.152 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -7.637 0.324 -1.383 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -5.905 3.395 -1.614 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -7.251 2.517 -0.881 1.00 0.00 H new ATOM 735 N LYS A 48 -5.420 0.727 1.885 1.00 0.00 N ATOM 736 CA LYS A 48 -5.496 1.613 3.026 1.00 0.00 C ATOM 737 C LYS A 48 -4.787 2.916 2.716 1.00 0.00 C ATOM 738 O LYS A 48 -3.607 2.913 2.400 1.00 0.00 O ATOM 739 CB LYS A 48 -4.842 0.933 4.230 1.00 0.00 C ATOM 740 CG LYS A 48 -5.461 -0.413 4.560 1.00 0.00 C ATOM 741 CD LYS A 48 -4.767 -1.091 5.719 1.00 0.00 C ATOM 742 CE LYS A 48 -5.409 -2.436 6.023 1.00 0.00 C ATOM 743 NZ LYS A 48 -4.743 -3.145 7.125 1.00 0.00 N ATOM 0 H LYS A 48 -4.521 0.255 1.787 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.540 1.830 3.253 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.779 0.799 4.031 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.924 1.587 5.098 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.516 -0.277 4.799 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.414 -1.058 3.683 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.712 -1.232 5.485 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.815 -0.453 6.601 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.459 -2.285 6.275 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.383 -3.057 5.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.219 -4.054 7.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.748 -3.316 6.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.790 -2.567 7.988 1.00 0.00 H new ATOM 757 N CYS A 49 -5.503 4.009 2.774 1.00 0.00 N ATOM 758 CA CYS A 49 -4.922 5.311 2.502 1.00 0.00 C ATOM 759 C CYS A 49 -4.827 6.158 3.771 1.00 0.00 C ATOM 760 O CYS A 49 -5.795 6.280 4.538 1.00 0.00 O ATOM 761 CB CYS A 49 -5.671 6.018 1.369 1.00 0.00 C ATOM 762 SG CYS A 49 -7.486 5.943 1.506 1.00 0.00 S ATOM 0 H CYS A 49 -6.496 4.029 3.008 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.898 5.164 2.158 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.364 7.063 1.343 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -5.372 5.574 0.419 1.00 0.00 H new ATOM 767 N CYS A 50 -3.658 6.709 3.990 1.00 0.00 N ATOM 768 CA CYS A 50 -3.323 7.452 5.187 1.00 0.00 C ATOM 769 C CYS A 50 -2.484 8.700 4.834 1.00 0.00 C ATOM 770 O CYS A 50 -1.872 8.749 3.776 1.00 0.00 O ATOM 771 CB CYS A 50 -2.550 6.514 6.107 1.00 0.00 C ATOM 772 SG CYS A 50 -1.188 5.638 5.266 1.00 0.00 S ATOM 0 H CYS A 50 -2.889 6.653 3.322 1.00 0.00 H new ATOM 0 HA CYS A 50 -4.226 7.805 5.685 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.144 7.087 6.941 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -3.238 5.781 6.529 1.00 0.00 H new ATOM 777 N SER A 51 -2.492 9.715 5.687 1.00 0.00 N ATOM 778 CA SER A 51 -1.751 10.947 5.419 1.00 0.00 C ATOM 779 C SER A 51 -0.656 11.234 6.478 1.00 0.00 C ATOM 780 O SER A 51 -0.278 12.393 6.695 1.00 0.00 O ATOM 781 CB SER A 51 -2.729 12.123 5.348 1.00 0.00 C ATOM 782 OG SER A 51 -3.694 11.928 4.335 1.00 0.00 O ATOM 0 H SER A 51 -3.002 9.713 6.570 1.00 0.00 H new ATOM 0 HA SER A 51 -1.240 10.818 4.465 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.228 12.243 6.310 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.179 13.045 5.157 1.00 0.00 H new ATOM 0 HG SER A 51 -3.332 12.229 3.476 1.00 0.00 H new ATOM 788 N THR A 52 -0.111 10.210 7.087 1.00 0.00 N ATOM 789 CA THR A 52 0.941 10.406 8.067 1.00 0.00 C ATOM 790 C THR A 52 2.292 9.877 7.574 1.00 0.00 C ATOM 791 O THR A 52 2.344 8.993 6.710 1.00 0.00 O ATOM 792 CB THR A 52 0.576 9.776 9.429 1.00 0.00 C ATOM 793 OG1 THR A 52 -0.140 8.547 9.236 1.00 0.00 O ATOM 794 CG2 THR A 52 -0.243 10.719 10.287 1.00 0.00 C ATOM 0 H THR A 52 -0.372 9.237 6.927 1.00 0.00 H new ATOM 0 HA THR A 52 1.038 11.483 8.207 1.00 0.00 H new ATOM 0 HB THR A 52 1.510 9.574 9.953 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.363 8.158 10.107 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.478 10.236 11.236 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.327 11.629 10.474 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.168 10.971 9.769 1.00 0.00 H new ATOM 802 N ASP A 53 3.365 10.465 8.093 1.00 0.00 N ATOM 803 CA ASP A 53 4.749 10.049 7.810 1.00 0.00 C ATOM 804 C ASP A 53 4.945 8.546 7.961 1.00 0.00 C ATOM 805 O ASP A 53 4.757 7.987 9.052 1.00 0.00 O ATOM 806 CB ASP A 53 5.737 10.844 8.709 1.00 0.00 C ATOM 807 CG ASP A 53 7.009 10.092 9.111 1.00 0.00 C ATOM 808 OD1 ASP A 53 7.927 9.956 8.295 1.00 0.00 O ATOM 809 OD2 ASP A 53 7.124 9.661 10.293 1.00 0.00 O ATOM 0 H ASP A 53 3.305 11.257 8.733 1.00 0.00 H new ATOM 0 HA ASP A 53 4.960 10.280 6.766 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.024 11.756 8.186 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.213 11.148 9.615 1.00 0.00 H new ATOM 814 N ARG A 54 5.261 7.900 6.829 1.00 0.00 N ATOM 815 CA ARG A 54 5.564 6.472 6.753 1.00 0.00 C ATOM 816 C ARG A 54 4.439 5.607 7.285 1.00 0.00 C ATOM 817 O ARG A 54 4.672 4.530 7.802 1.00 0.00 O ATOM 818 CB ARG A 54 6.868 6.211 7.483 1.00 0.00 C ATOM 819 CG ARG A 54 8.064 6.840 6.792 1.00 0.00 C ATOM 820 CD ARG A 54 9.284 6.772 7.670 1.00 0.00 C ATOM 821 NE ARG A 54 9.079 7.561 8.871 1.00 0.00 N ATOM 822 CZ ARG A 54 9.532 7.265 10.075 1.00 0.00 C ATOM 823 NH1 ARG A 54 10.377 6.256 10.248 1.00 0.00 N ATOM 824 NH2 ARG A 54 9.151 8.004 11.102 1.00 0.00 N ATOM 0 H ARG A 54 5.313 8.369 5.925 1.00 0.00 H new ATOM 0 HA ARG A 54 5.671 6.194 5.704 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.795 6.600 8.499 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.025 5.135 7.564 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.258 6.325 5.851 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.844 7.879 6.547 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.492 5.736 7.937 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.154 7.142 7.127 1.00 0.00 H new ATOM 0 HE ARG A 54 8.537 8.420 8.776 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.681 5.703 9.447 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.722 6.034 11.182 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.516 8.789 10.958 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.492 7.789 12.039 1.00 0.00 H new ATOM 838 N CYS A 55 3.211 6.057 7.087 1.00 0.00 N ATOM 839 CA CYS A 55 2.039 5.327 7.553 1.00 0.00 C ATOM 840 C CYS A 55 1.836 4.033 6.766 1.00 0.00 C ATOM 841 O CYS A 55 1.213 3.078 7.260 1.00 0.00 O ATOM 842 CB CYS A 55 0.802 6.195 7.440 1.00 0.00 C ATOM 843 SG CYS A 55 0.436 6.734 5.743 1.00 0.00 S ATOM 0 H CYS A 55 2.997 6.930 6.604 1.00 0.00 H new ATOM 0 HA CYS A 55 2.206 5.066 8.598 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -0.054 5.643 7.829 1.00 0.00 H new ATOM 0 HB3 CYS A 55 0.928 7.075 8.071 1.00 0.00 H new ATOM 848 N ASN A 56 2.377 3.986 5.558 1.00 0.00 N ATOM 849 CA ASN A 56 2.260 2.815 4.718 1.00 0.00 C ATOM 850 C ASN A 56 3.349 1.805 5.075 1.00 0.00 C ATOM 851 O ASN A 56 4.349 1.612 4.381 1.00 0.00 O ATOM 852 CB ASN A 56 2.207 3.170 3.206 1.00 0.00 C ATOM 853 CG ASN A 56 3.483 3.778 2.624 1.00 0.00 C ATOM 854 OD1 ASN A 56 4.304 4.402 3.327 1.00 0.00 O ATOM 855 ND2 ASN A 56 3.627 3.662 1.329 1.00 0.00 N ATOM 0 H ASN A 56 2.904 4.753 5.140 1.00 0.00 H new ATOM 0 HA ASN A 56 1.300 2.339 4.918 1.00 0.00 H new ATOM 0 HB2 ASN A 56 1.970 2.265 2.647 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.386 3.869 3.044 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.429 4.089 0.865 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.937 3.145 0.783 1.00 0.00 H new ATOM 862 N LYS A 57 3.167 1.241 6.221 1.00 0.00 N ATOM 863 CA LYS A 57 4.080 0.325 6.802 1.00 0.00 C ATOM 864 C LYS A 57 3.312 -0.889 7.301 1.00 0.00 C ATOM 865 O LYS A 57 2.379 -0.729 8.142 1.00 0.00 O ATOM 866 CB LYS A 57 4.896 1.018 7.925 1.00 0.00 C ATOM 867 CG LYS A 57 4.047 1.598 9.052 1.00 0.00 C ATOM 868 CD LYS A 57 4.874 2.296 10.108 1.00 0.00 C ATOM 869 CE LYS A 57 3.976 2.819 11.214 1.00 0.00 C ATOM 870 NZ LYS A 57 4.710 3.651 12.184 1.00 0.00 N ATOM 871 OXT LYS A 57 3.631 -2.007 6.877 1.00 0.00 O ATOM 0 H LYS A 57 2.345 1.415 6.799 1.00 0.00 H new ATOM 0 HA LYS A 57 4.801 -0.016 6.059 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.596 0.297 8.347 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.490 1.819 7.485 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.329 2.304 8.634 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.473 0.797 9.517 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.608 1.605 10.522 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.429 3.120 9.660 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.167 3.404 10.776 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.517 1.978 11.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.056 3.985 12.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.466 3.087 12.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.127 4.468 11.695 1.00 0.00 H new