USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 736 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: B 32 SER OG : rot 40:sc= 0.883 USER MOD Set 1.2: B 51 TYR OH : rot 145:sc= -2.04 USER MOD Set 2.1: A 32 SER OG : rot 40:sc= 0.867 USER MOD Set 2.2: A 51 TYR OH : rot 154:sc= -1.98 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.0254 X(o=-0.025,f=-0.13) USER MOD Single : A 24 ASN : amide:sc= -7.14! C(o=-7.1!,f=-13!) USER MOD Single : A 26 GLN : amide:sc= -2.81 X(o=-2.8,f=-2.4) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc=-0.00462 X(o=-0.0046,f=0.028) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 21 GLN : amide:sc= -0.0249 K(o=-0.025,f=-1.6!) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 HIS : no HD1:sc= -0.0345 X(o=-0.034,f=-0.16) USER MOD Single : B 24 ASN : amide:sc= -6.88! C(o=-6.9!,f=-13!) USER MOD Single : B 26 GLN : amide:sc= -2.9 K(o=-2.9,f=-2.3) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 GLN : amide:sc= -0.0052 X(o=-0.0052,f=0.11) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 72 N CYS A 16 -13.929 13.823 7.962 1.00 0.00 N ATOM 73 CA CYS A 16 -13.682 12.402 8.341 1.00 0.00 C ATOM 74 C CYS A 16 -12.178 12.150 8.486 1.00 0.00 C ATOM 75 O CYS A 16 -11.754 11.236 9.167 1.00 0.00 O ATOM 76 CB CYS A 16 -14.255 11.577 7.187 1.00 0.00 C ATOM 77 SG CYS A 16 -14.994 10.059 7.841 1.00 0.00 S ATOM 0 HA CYS A 16 -14.143 12.142 9.294 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -15.005 12.157 6.648 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -13.468 11.333 6.474 1.00 0.00 H new ATOM 82 N GLU A 17 -11.370 12.956 7.854 1.00 0.00 N ATOM 83 CA GLU A 17 -9.895 12.765 7.958 1.00 0.00 C ATOM 84 C GLU A 17 -9.358 13.382 9.258 1.00 0.00 C ATOM 85 O GLU A 17 -8.168 13.387 9.503 1.00 0.00 O ATOM 86 CB GLU A 17 -9.314 13.492 6.744 1.00 0.00 C ATOM 87 CG GLU A 17 -7.941 12.909 6.406 1.00 0.00 C ATOM 88 CD GLU A 17 -7.412 13.560 5.127 1.00 0.00 C ATOM 89 OE1 GLU A 17 -8.223 13.932 4.296 1.00 0.00 O ATOM 90 OE2 GLU A 17 -6.204 13.672 4.999 1.00 0.00 O ATOM 0 H GLU A 17 -11.667 13.738 7.270 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.622 11.710 7.976 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.984 13.389 5.891 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.226 14.558 6.953 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.248 13.083 7.229 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.015 11.830 6.274 1.00 0.00 H new ATOM 97 N LEU A 18 -10.221 13.899 10.092 1.00 0.00 N ATOM 98 CA LEU A 18 -9.747 14.507 11.368 1.00 0.00 C ATOM 99 C LEU A 18 -9.606 13.426 12.443 1.00 0.00 C ATOM 100 O LEU A 18 -8.783 13.521 13.331 1.00 0.00 O ATOM 101 CB LEU A 18 -10.830 15.514 11.757 1.00 0.00 C ATOM 102 CG LEU A 18 -10.202 16.899 11.928 1.00 0.00 C ATOM 103 CD1 LEU A 18 -11.291 17.916 12.274 1.00 0.00 C ATOM 104 CD2 LEU A 18 -9.171 16.855 13.059 1.00 0.00 C ATOM 0 H LEU A 18 -11.230 13.926 9.945 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.772 14.982 11.263 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.604 15.546 10.990 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.313 15.205 12.684 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.713 17.192 10.999 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.843 18.902 12.396 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.027 17.949 11.471 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.781 17.623 13.203 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.723 17.841 13.182 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.661 16.561 13.987 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.394 16.131 12.815 1.00 0.00 H new ATOM 116 N TYR A 19 -10.403 12.396 12.366 1.00 0.00 N ATOM 117 CA TYR A 19 -10.313 11.307 13.380 1.00 0.00 C ATOM 118 C TYR A 19 -8.953 10.609 13.285 1.00 0.00 C ATOM 119 O TYR A 19 -8.443 10.086 14.256 1.00 0.00 O ATOM 120 CB TYR A 19 -11.444 10.337 13.020 1.00 0.00 C ATOM 121 CG TYR A 19 -11.339 9.091 13.869 1.00 0.00 C ATOM 122 CD1 TYR A 19 -11.564 9.164 15.263 1.00 0.00 C ATOM 123 CD2 TYR A 19 -11.010 7.854 13.271 1.00 0.00 C ATOM 124 CE1 TYR A 19 -11.460 8.001 16.057 1.00 0.00 C ATOM 125 CE2 TYR A 19 -10.906 6.690 14.066 1.00 0.00 C ATOM 126 CZ TYR A 19 -11.131 6.764 15.458 1.00 0.00 C ATOM 127 OH TYR A 19 -11.029 5.627 16.233 1.00 0.00 O ATOM 0 H TYR A 19 -11.112 12.261 11.645 1.00 0.00 H new ATOM 0 HA TYR A 19 -10.407 11.681 14.400 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -12.410 10.816 13.178 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -11.388 10.074 11.964 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -11.815 10.109 15.721 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.838 7.798 12.206 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.632 8.057 17.122 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.655 5.744 13.609 1.00 0.00 H new ATOM 0 HH TYR A 19 -10.797 4.863 15.664 1.00 0.00 H new ATOM 137 N VAL A 20 -8.364 10.593 12.121 1.00 0.00 N ATOM 138 CA VAL A 20 -7.042 9.923 11.969 1.00 0.00 C ATOM 139 C VAL A 20 -5.916 10.860 12.405 1.00 0.00 C ATOM 140 O VAL A 20 -5.108 11.292 11.607 1.00 0.00 O ATOM 141 CB VAL A 20 -6.922 9.600 10.480 1.00 0.00 C ATOM 142 CG1 VAL A 20 -8.071 8.681 10.057 1.00 0.00 C ATOM 143 CG2 VAL A 20 -6.980 10.896 9.668 1.00 0.00 C ATOM 0 H VAL A 20 -8.740 11.014 11.271 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.966 9.028 12.586 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.972 9.098 10.297 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.982 8.453 8.995 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.027 7.756 10.632 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.023 9.179 10.243 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.894 10.664 8.606 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.929 11.400 9.854 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.159 11.548 9.964 1.00 0.00 H new ATOM 153 N GLN A 21 -5.853 11.175 13.668 1.00 0.00 N ATOM 154 CA GLN A 21 -4.778 12.080 14.156 1.00 0.00 C ATOM 155 C GLN A 21 -3.555 11.261 14.572 1.00 0.00 C ATOM 156 O GLN A 21 -3.379 10.134 14.152 1.00 0.00 O ATOM 157 CB GLN A 21 -5.381 12.801 15.361 1.00 0.00 C ATOM 158 CG GLN A 21 -4.989 14.279 15.318 1.00 0.00 C ATOM 159 CD GLN A 21 -5.814 15.057 16.346 1.00 0.00 C ATOM 160 OE1 GLN A 21 -6.628 14.488 17.044 1.00 0.00 O ATOM 161 NE2 GLN A 21 -5.634 16.343 16.467 1.00 0.00 N ATOM 0 H GLN A 21 -6.500 10.844 14.384 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.446 12.782 13.391 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.466 12.701 15.353 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.026 12.346 16.286 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.926 14.390 15.530 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.159 14.682 14.320 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.950 16.820 15.880 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -6.178 16.872 17.149 1.00 0.00 H new ATOM 170 N LYS A 22 -2.710 11.813 15.400 1.00 0.00 N ATOM 171 CA LYS A 22 -1.505 11.057 15.844 1.00 0.00 C ATOM 172 C LYS A 22 -1.923 9.924 16.785 1.00 0.00 C ATOM 173 O LYS A 22 -1.565 9.906 17.946 1.00 0.00 O ATOM 174 CB LYS A 22 -0.639 12.081 16.580 1.00 0.00 C ATOM 175 CG LYS A 22 -1.390 12.601 17.808 1.00 0.00 C ATOM 176 CD LYS A 22 -1.422 14.130 17.779 1.00 0.00 C ATOM 177 CE LYS A 22 -1.501 14.668 19.210 1.00 0.00 C ATOM 178 NZ LYS A 22 -1.197 16.121 19.093 1.00 0.00 N ATOM 0 H LYS A 22 -2.802 12.752 15.787 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.967 10.602 15.012 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.303 11.624 16.884 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.392 12.908 15.915 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.406 12.206 17.820 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.902 12.254 18.719 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.530 14.513 17.284 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.280 14.475 17.202 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.490 14.505 19.639 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.785 14.166 19.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.232 16.560 20.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.247 16.245 18.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.899 16.574 18.474 1.00 0.00 H new ATOM 192 N HIS A 23 -2.686 8.987 16.296 1.00 0.00 N ATOM 193 CA HIS A 23 -3.136 7.867 17.171 1.00 0.00 C ATOM 194 C HIS A 23 -3.757 6.743 16.337 1.00 0.00 C ATOM 195 O HIS A 23 -3.542 5.574 16.591 1.00 0.00 O ATOM 196 CB HIS A 23 -4.194 8.491 18.078 1.00 0.00 C ATOM 197 CG HIS A 23 -4.298 7.701 19.353 1.00 0.00 C ATOM 198 ND1 HIS A 23 -3.215 7.522 20.201 1.00 0.00 N ATOM 199 CD2 HIS A 23 -5.346 7.035 19.940 1.00 0.00 C ATOM 200 CE1 HIS A 23 -3.634 6.778 21.242 1.00 0.00 C ATOM 201 NE2 HIS A 23 -4.925 6.455 21.132 1.00 0.00 N ATOM 0 H HIS A 23 -3.017 8.947 15.332 1.00 0.00 H new ATOM 0 HA HIS A 23 -2.310 7.425 17.728 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -3.932 9.525 18.300 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.158 8.508 17.570 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -6.346 6.971 19.537 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -3.003 6.479 22.066 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.483 5.902 21.783 1.00 0.00 H new ATOM 209 N ASN A 24 -4.543 7.089 15.356 1.00 0.00 N ATOM 210 CA ASN A 24 -5.196 6.046 14.516 1.00 0.00 C ATOM 211 C ASN A 24 -4.213 5.470 13.487 1.00 0.00 C ATOM 212 O ASN A 24 -3.556 4.479 13.737 1.00 0.00 O ATOM 213 CB ASN A 24 -6.354 6.778 13.833 1.00 0.00 C ATOM 214 CG ASN A 24 -7.078 5.831 12.870 1.00 0.00 C ATOM 215 OD1 ASN A 24 -6.614 4.740 12.603 1.00 0.00 O ATOM 216 ND2 ASN A 24 -8.209 6.206 12.341 1.00 0.00 N ATOM 0 H ASN A 24 -4.762 8.051 15.099 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.538 5.193 15.103 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.052 7.151 14.583 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.977 7.644 13.289 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.705 5.584 11.703 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.598 7.122 12.565 1.00 0.00 H new ATOM 223 N ILE A 25 -4.113 6.066 12.327 1.00 0.00 N ATOM 224 CA ILE A 25 -3.182 5.529 11.292 1.00 0.00 C ATOM 225 C ILE A 25 -1.789 6.158 11.424 1.00 0.00 C ATOM 226 O ILE A 25 -0.899 5.875 10.647 1.00 0.00 O ATOM 227 CB ILE A 25 -3.820 5.910 9.957 1.00 0.00 C ATOM 228 CG1 ILE A 25 -5.160 5.184 9.810 1.00 0.00 C ATOM 229 CG2 ILE A 25 -2.895 5.501 8.808 1.00 0.00 C ATOM 230 CD1 ILE A 25 -6.255 6.193 9.460 1.00 0.00 C ATOM 0 H ILE A 25 -4.634 6.899 12.053 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.041 4.453 11.391 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.980 6.988 9.927 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.090 4.424 9.032 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.409 4.669 10.737 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.353 5.774 7.857 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.939 6.014 8.911 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.734 4.423 8.837 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.208 5.674 9.356 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.332 6.937 10.253 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.007 6.688 8.521 1.00 0.00 H new ATOM 242 N GLN A 26 -1.585 7.007 12.396 1.00 0.00 N ATOM 243 CA GLN A 26 -0.244 7.637 12.557 1.00 0.00 C ATOM 244 C GLN A 26 0.759 6.613 13.095 1.00 0.00 C ATOM 245 O GLN A 26 1.956 6.760 12.939 1.00 0.00 O ATOM 246 CB GLN A 26 -0.450 8.766 13.566 1.00 0.00 C ATOM 247 CG GLN A 26 0.647 9.817 13.385 1.00 0.00 C ATOM 248 CD GLN A 26 1.431 9.965 14.690 1.00 0.00 C ATOM 249 OE1 GLN A 26 1.752 8.986 15.334 1.00 0.00 O ATOM 250 NE2 GLN A 26 1.757 11.158 15.110 1.00 0.00 N ATOM 0 H GLN A 26 -2.285 7.290 13.082 1.00 0.00 H new ATOM 0 HA GLN A 26 0.153 8.006 11.611 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.431 9.220 13.425 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.425 8.370 14.581 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.317 9.523 12.577 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.207 10.773 13.102 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.488 11.980 14.570 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.281 11.267 15.978 1.00 0.00 H new ATOM 259 N ALA A 27 0.281 5.574 13.724 1.00 0.00 N ATOM 260 CA ALA A 27 1.208 4.539 14.269 1.00 0.00 C ATOM 261 C ALA A 27 1.930 3.825 13.124 1.00 0.00 C ATOM 262 O ALA A 27 3.143 3.839 13.034 1.00 0.00 O ATOM 263 CB ALA A 27 0.309 3.563 15.028 1.00 0.00 C ATOM 0 H ALA A 27 -0.710 5.396 13.884 1.00 0.00 H new ATOM 0 HA ALA A 27 1.977 4.968 14.912 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.918 2.769 15.460 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.214 4.094 15.824 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.419 3.130 14.342 1.00 0.00 H new ATOM 269 N LEU A 28 1.194 3.201 12.246 1.00 0.00 N ATOM 270 CA LEU A 28 1.835 2.485 11.104 1.00 0.00 C ATOM 271 C LEU A 28 2.569 3.479 10.200 1.00 0.00 C ATOM 272 O LEU A 28 3.444 3.113 9.442 1.00 0.00 O ATOM 273 CB LEU A 28 0.679 1.826 10.350 1.00 0.00 C ATOM 274 CG LEU A 28 -0.351 2.888 9.962 1.00 0.00 C ATOM 275 CD1 LEU A 28 -0.614 2.819 8.456 1.00 0.00 C ATOM 276 CD2 LEU A 28 -1.655 2.632 10.719 1.00 0.00 C ATOM 0 H LEU A 28 0.175 3.155 12.269 1.00 0.00 H new ATOM 0 HA LEU A 28 2.573 1.755 11.437 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.053 1.324 9.458 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.213 1.063 10.973 1.00 0.00 H new ATOM 0 HG LEU A 28 0.031 3.876 10.218 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.348 3.576 8.180 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.315 3.000 7.916 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.997 1.831 8.198 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.390 3.388 10.444 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.037 1.644 10.462 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.469 2.681 11.792 1.00 0.00 H new ATOM 288 N LEU A 29 2.219 4.735 10.271 1.00 0.00 N ATOM 289 CA LEU A 29 2.901 5.746 9.413 1.00 0.00 C ATOM 290 C LEU A 29 4.263 6.111 10.008 1.00 0.00 C ATOM 291 O LEU A 29 5.200 6.418 9.299 1.00 0.00 O ATOM 292 CB LEU A 29 1.971 6.960 9.409 1.00 0.00 C ATOM 293 CG LEU A 29 1.338 7.112 8.025 1.00 0.00 C ATOM 294 CD1 LEU A 29 0.550 5.848 7.681 1.00 0.00 C ATOM 295 CD2 LEU A 29 0.394 8.317 8.026 1.00 0.00 C ATOM 0 H LEU A 29 1.492 5.104 10.884 1.00 0.00 H new ATOM 0 HA LEU A 29 3.085 5.375 8.405 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.195 6.839 10.165 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.529 7.860 9.666 1.00 0.00 H new ATOM 0 HG LEU A 29 2.122 7.264 7.283 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.099 5.957 6.695 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.222 4.990 7.680 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.234 5.695 8.423 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.058 8.426 7.040 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.389 8.165 8.769 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.956 9.219 8.270 1.00 0.00 H new ATOM 307 N LYS A 30 4.381 6.082 11.308 1.00 0.00 N ATOM 308 CA LYS A 30 5.684 6.426 11.945 1.00 0.00 C ATOM 309 C LYS A 30 6.782 5.488 11.433 1.00 0.00 C ATOM 310 O LYS A 30 7.763 5.921 10.862 1.00 0.00 O ATOM 311 CB LYS A 30 5.461 6.223 13.444 1.00 0.00 C ATOM 312 CG LYS A 30 6.471 7.063 14.228 1.00 0.00 C ATOM 313 CD LYS A 30 6.459 6.634 15.697 1.00 0.00 C ATOM 314 CE LYS A 30 7.524 7.418 16.467 1.00 0.00 C ATOM 315 NZ LYS A 30 7.151 7.264 17.901 1.00 0.00 N ATOM 0 H LYS A 30 3.632 5.835 11.955 1.00 0.00 H new ATOM 0 HA LYS A 30 6.000 7.444 11.717 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.445 6.511 13.714 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.572 5.169 13.700 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.469 6.936 13.809 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.223 8.121 14.145 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.475 6.813 16.131 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.652 5.564 15.776 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.522 7.024 16.274 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.533 8.467 16.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.835 7.775 18.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.199 7.654 18.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.157 6.256 18.155 1.00 0.00 H new ATOM 329 N ASP A 31 6.625 4.209 11.635 1.00 0.00 N ATOM 330 CA ASP A 31 7.660 3.247 11.159 1.00 0.00 C ATOM 331 C ASP A 31 7.756 3.291 9.632 1.00 0.00 C ATOM 332 O ASP A 31 8.812 3.101 9.062 1.00 0.00 O ATOM 333 CB ASP A 31 7.170 1.876 11.628 1.00 0.00 C ATOM 334 CG ASP A 31 7.950 1.455 12.875 1.00 0.00 C ATOM 335 OD1 ASP A 31 9.123 1.147 12.741 1.00 0.00 O ATOM 336 OD2 ASP A 31 7.359 1.448 13.943 1.00 0.00 O ATOM 0 H ASP A 31 5.826 3.788 12.109 1.00 0.00 H new ATOM 0 HA ASP A 31 8.652 3.479 11.547 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.103 1.915 11.849 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.304 1.139 10.836 1.00 0.00 H new ATOM 341 N SER A 32 6.664 3.539 8.963 1.00 0.00 N ATOM 342 CA SER A 32 6.695 3.595 7.474 1.00 0.00 C ATOM 343 C SER A 32 7.616 4.726 7.008 1.00 0.00 C ATOM 344 O SER A 32 8.372 4.577 6.069 1.00 0.00 O ATOM 345 CB SER A 32 5.251 3.872 7.054 1.00 0.00 C ATOM 346 OG SER A 32 4.672 2.676 6.551 1.00 0.00 O ATOM 0 H SER A 32 5.750 3.706 9.384 1.00 0.00 H new ATOM 0 HA SER A 32 7.075 2.673 7.035 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.676 4.238 7.905 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.225 4.651 6.292 1.00 0.00 H new ATOM 0 HG SER A 32 4.961 1.917 7.099 1.00 0.00 H new ATOM 352 N ILE A 33 7.560 5.855 7.660 1.00 0.00 N ATOM 353 CA ILE A 33 8.436 6.993 7.253 1.00 0.00 C ATOM 354 C ILE A 33 9.906 6.632 7.476 1.00 0.00 C ATOM 355 O ILE A 33 10.761 6.943 6.670 1.00 0.00 O ATOM 356 CB ILE A 33 8.024 8.153 8.161 1.00 0.00 C ATOM 357 CG1 ILE A 33 6.571 8.536 7.870 1.00 0.00 C ATOM 358 CG2 ILE A 33 8.931 9.356 7.895 1.00 0.00 C ATOM 359 CD1 ILE A 33 5.944 9.145 9.127 1.00 0.00 C ATOM 0 H ILE A 33 6.948 6.040 8.455 1.00 0.00 H new ATOM 0 HA ILE A 33 8.327 7.243 6.198 1.00 0.00 H new ATOM 0 HB ILE A 33 8.119 7.850 9.204 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.529 9.250 7.047 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.007 7.657 7.558 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.638 10.183 8.542 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.966 9.084 8.101 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.836 9.660 6.852 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.909 9.418 8.921 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.973 8.417 9.937 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.503 10.034 9.418 1.00 0.00 H new ATOM 371 N VAL A 34 10.205 5.976 8.564 1.00 0.00 N ATOM 372 CA VAL A 34 11.621 5.595 8.838 1.00 0.00 C ATOM 373 C VAL A 34 12.080 4.522 7.845 1.00 0.00 C ATOM 374 O VAL A 34 13.258 4.361 7.593 1.00 0.00 O ATOM 375 CB VAL A 34 11.610 5.037 10.263 1.00 0.00 C ATOM 376 CG1 VAL A 34 13.015 4.556 10.634 1.00 0.00 C ATOM 377 CG2 VAL A 34 11.177 6.137 11.236 1.00 0.00 C ATOM 0 H VAL A 34 9.532 5.688 9.274 1.00 0.00 H new ATOM 0 HA VAL A 34 12.305 6.438 8.735 1.00 0.00 H new ATOM 0 HB VAL A 34 10.912 4.202 10.321 1.00 0.00 H new ATOM 0 HG11 VAL A 34 13.007 4.159 11.649 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.327 3.775 9.941 1.00 0.00 H new ATOM 0 HG13 VAL A 34 13.713 5.392 10.577 1.00 0.00 H new ATOM 0 HG21 VAL A 34 11.168 5.742 12.252 1.00 0.00 H new ATOM 0 HG22 VAL A 34 11.876 6.971 11.177 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.177 6.483 10.973 1.00 0.00 H new ATOM 387 N GLN A 35 11.160 3.790 7.281 1.00 0.00 N ATOM 388 CA GLN A 35 11.545 2.730 6.305 1.00 0.00 C ATOM 389 C GLN A 35 11.373 3.242 4.872 1.00 0.00 C ATOM 390 O GLN A 35 12.108 2.870 3.978 1.00 0.00 O ATOM 391 CB GLN A 35 10.586 1.571 6.577 1.00 0.00 C ATOM 392 CG GLN A 35 11.127 0.720 7.728 1.00 0.00 C ATOM 393 CD GLN A 35 10.054 -0.275 8.175 1.00 0.00 C ATOM 394 OE1 GLN A 35 8.996 0.117 8.628 1.00 0.00 O ATOM 395 NE2 GLN A 35 10.284 -1.556 8.071 1.00 0.00 N ATOM 0 H GLN A 35 10.159 3.879 7.453 1.00 0.00 H new ATOM 0 HA GLN A 35 12.587 2.430 6.413 1.00 0.00 H new ATOM 0 HB2 GLN A 35 9.597 1.955 6.828 1.00 0.00 H new ATOM 0 HB3 GLN A 35 10.473 0.960 5.681 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.023 0.187 7.410 1.00 0.00 H new ATOM 0 HG3 GLN A 35 11.416 1.359 8.562 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.171 -1.886 7.691 1.00 0.00 H new ATOM 0 HE22 GLN A 35 9.576 -2.227 8.370 1.00 0.00 H new ATOM 404 N LEU A 36 10.409 4.093 4.644 1.00 0.00 N ATOM 405 CA LEU A 36 10.194 4.624 3.267 1.00 0.00 C ATOM 406 C LEU A 36 11.174 5.766 2.976 1.00 0.00 C ATOM 407 O LEU A 36 11.368 6.150 1.840 1.00 0.00 O ATOM 408 CB LEU A 36 8.753 5.137 3.256 1.00 0.00 C ATOM 409 CG LEU A 36 7.792 3.949 3.151 1.00 0.00 C ATOM 410 CD1 LEU A 36 6.602 4.162 4.089 1.00 0.00 C ATOM 411 CD2 LEU A 36 7.288 3.825 1.710 1.00 0.00 C ATOM 0 H LEU A 36 9.762 4.443 5.351 1.00 0.00 H new ATOM 0 HA LEU A 36 10.360 3.863 2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.550 5.704 4.164 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.603 5.816 2.416 1.00 0.00 H new ATOM 0 HG LEU A 36 8.316 3.037 3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.921 3.315 4.011 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.959 4.248 5.115 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.078 5.076 3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.604 2.980 1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.767 4.739 1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.134 3.668 1.041 1.00 0.00 H new ATOM 423 N CYS A 37 11.797 6.311 3.988 1.00 0.00 N ATOM 424 CA CYS A 37 12.762 7.427 3.757 1.00 0.00 C ATOM 425 C CYS A 37 13.765 7.038 2.665 1.00 0.00 C ATOM 426 O CYS A 37 14.299 7.879 1.969 1.00 0.00 O ATOM 427 CB CYS A 37 13.473 7.628 5.096 1.00 0.00 C ATOM 428 SG CYS A 37 12.868 9.144 5.882 1.00 0.00 S ATOM 0 H CYS A 37 11.680 6.033 4.962 1.00 0.00 H new ATOM 0 HA CYS A 37 12.266 8.339 3.424 1.00 0.00 H new ATOM 0 HB2 CYS A 37 13.294 6.772 5.747 1.00 0.00 H new ATOM 0 HB3 CYS A 37 14.550 7.691 4.942 1.00 0.00 H new ATOM 433 N THR A 38 14.013 5.767 2.503 1.00 0.00 N ATOM 434 CA THR A 38 14.969 5.321 1.449 1.00 0.00 C ATOM 435 C THR A 38 14.257 5.251 0.093 1.00 0.00 C ATOM 436 O THR A 38 14.885 5.237 -0.948 1.00 0.00 O ATOM 437 CB THR A 38 15.424 3.929 1.886 1.00 0.00 C ATOM 438 OG1 THR A 38 16.119 4.024 3.121 1.00 0.00 O ATOM 439 CG2 THR A 38 16.348 3.335 0.820 1.00 0.00 C ATOM 0 H THR A 38 13.595 5.018 3.055 1.00 0.00 H new ATOM 0 HA THR A 38 15.810 6.005 1.336 1.00 0.00 H new ATOM 0 HB THR A 38 14.554 3.284 2.009 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.409 3.131 3.402 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.672 2.342 1.132 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.812 3.261 -0.126 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.219 3.978 0.694 1.00 0.00 H new ATOM 447 N ALA A 39 12.949 5.211 0.098 1.00 0.00 N ATOM 448 CA ALA A 39 12.193 5.147 -1.187 1.00 0.00 C ATOM 449 C ALA A 39 12.624 3.923 -2.000 1.00 0.00 C ATOM 450 O ALA A 39 13.235 3.007 -1.485 1.00 0.00 O ATOM 451 CB ALA A 39 12.549 6.435 -1.931 1.00 0.00 C ATOM 0 H ALA A 39 12.372 5.220 0.939 1.00 0.00 H new ATOM 0 HA ALA A 39 11.119 5.057 -1.023 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.028 6.458 -2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.248 7.295 -1.333 1.00 0.00 H new ATOM 0 HB3 ALA A 39 13.625 6.471 -2.102 1.00 0.00 H new ATOM 457 N ARG A 40 12.306 3.902 -3.264 1.00 0.00 N ATOM 458 CA ARG A 40 12.691 2.741 -4.115 1.00 0.00 C ATOM 459 C ARG A 40 12.202 1.425 -3.492 1.00 0.00 C ATOM 460 O ARG A 40 12.962 0.484 -3.377 1.00 0.00 O ATOM 461 CB ARG A 40 14.219 2.775 -4.161 1.00 0.00 C ATOM 462 CG ARG A 40 14.710 2.173 -5.479 1.00 0.00 C ATOM 463 CD ARG A 40 16.221 1.946 -5.405 1.00 0.00 C ATOM 464 NE ARG A 40 16.743 2.382 -6.730 1.00 0.00 N ATOM 465 CZ ARG A 40 18.013 2.647 -6.877 1.00 0.00 C ATOM 466 NH1 ARG A 40 18.521 3.724 -6.341 1.00 0.00 N ATOM 467 NH2 ARG A 40 18.775 1.836 -7.560 1.00 0.00 N ATOM 0 H ARG A 40 11.794 4.641 -3.746 1.00 0.00 H new ATOM 0 HA ARG A 40 12.247 2.799 -5.109 1.00 0.00 H new ATOM 0 HB2 ARG A 40 14.572 3.802 -4.065 1.00 0.00 H new ATOM 0 HB3 ARG A 40 14.630 2.217 -3.320 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.199 1.230 -5.673 1.00 0.00 H new ATOM 0 HG3 ARG A 40 14.472 2.841 -6.307 1.00 0.00 H new ATOM 0 HD2 ARG A 40 16.667 2.524 -4.596 1.00 0.00 H new ATOM 0 HD3 ARG A 40 16.454 0.898 -5.215 1.00 0.00 H new ATOM 0 HE ARG A 40 16.108 2.474 -7.523 1.00 0.00 H new ATOM 0 HH11 ARG A 40 17.926 4.358 -5.808 1.00 0.00 H new ATOM 0 HH12 ARG A 40 19.513 3.931 -6.456 1.00 0.00 H new ATOM 0 HH21 ARG A 40 18.378 0.995 -7.979 1.00 0.00 H new ATOM 0 HH22 ARG A 40 19.767 2.044 -7.675 1.00 0.00 H new ATOM 481 N PRO A 41 10.946 1.395 -3.107 1.00 0.00 N ATOM 482 CA PRO A 41 10.376 0.169 -2.496 1.00 0.00 C ATOM 483 C PRO A 41 10.150 -0.902 -3.567 1.00 0.00 C ATOM 484 O PRO A 41 9.362 -0.728 -4.477 1.00 0.00 O ATOM 485 CB PRO A 41 9.047 0.641 -1.915 1.00 0.00 C ATOM 486 CG PRO A 41 8.671 1.840 -2.725 1.00 0.00 C ATOM 487 CD PRO A 41 9.953 2.475 -3.200 1.00 0.00 C ATOM 0 HA PRO A 41 11.028 -0.279 -1.746 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.287 -0.137 -1.987 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.146 0.894 -0.859 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.047 1.553 -3.571 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.092 2.543 -2.126 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.860 2.844 -4.221 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.230 3.326 -2.578 1.00 0.00 H new ATOM 495 N GLU A 42 10.832 -2.011 -3.468 1.00 0.00 N ATOM 496 CA GLU A 42 10.654 -3.091 -4.484 1.00 0.00 C ATOM 497 C GLU A 42 9.169 -3.433 -4.639 1.00 0.00 C ATOM 498 O GLU A 42 8.701 -3.736 -5.718 1.00 0.00 O ATOM 499 CB GLU A 42 11.425 -4.289 -3.930 1.00 0.00 C ATOM 500 CG GLU A 42 10.811 -4.723 -2.597 1.00 0.00 C ATOM 501 CD GLU A 42 11.719 -5.758 -1.928 1.00 0.00 C ATOM 502 OE1 GLU A 42 12.356 -6.511 -2.645 1.00 0.00 O ATOM 503 OE2 GLU A 42 11.759 -5.779 -0.709 1.00 0.00 O ATOM 0 H GLU A 42 11.504 -2.217 -2.729 1.00 0.00 H new ATOM 0 HA GLU A 42 11.016 -2.794 -5.468 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.395 -5.114 -4.642 1.00 0.00 H new ATOM 0 HB3 GLU A 42 12.474 -4.026 -3.791 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.685 -3.859 -1.945 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.820 -5.146 -2.762 1.00 0.00 H new ATOM 510 N ARG A 43 8.425 -3.392 -3.567 1.00 0.00 N ATOM 511 CA ARG A 43 6.971 -3.716 -3.655 1.00 0.00 C ATOM 512 C ARG A 43 6.235 -3.186 -2.418 1.00 0.00 C ATOM 513 O ARG A 43 6.147 -3.867 -1.417 1.00 0.00 O ATOM 514 CB ARG A 43 6.909 -5.244 -3.706 1.00 0.00 C ATOM 515 CG ARG A 43 6.926 -5.706 -5.164 1.00 0.00 C ATOM 516 CD ARG A 43 6.102 -6.988 -5.304 1.00 0.00 C ATOM 517 NE ARG A 43 6.649 -7.668 -6.510 1.00 0.00 N ATOM 518 CZ ARG A 43 6.252 -8.874 -6.816 1.00 0.00 C ATOM 519 NH1 ARG A 43 6.831 -9.909 -6.270 1.00 0.00 N ATOM 520 NH2 ARG A 43 5.276 -9.044 -7.667 1.00 0.00 N ATOM 0 H ARG A 43 8.760 -3.149 -2.635 1.00 0.00 H new ATOM 0 HA ARG A 43 6.497 -3.261 -4.524 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.755 -5.671 -3.168 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.005 -5.599 -3.211 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.518 -4.927 -5.808 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.951 -5.883 -5.488 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.197 -7.617 -4.419 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.042 -6.765 -5.424 1.00 0.00 H new ATOM 0 HE ARG A 43 7.334 -7.192 -7.097 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.593 -9.775 -5.605 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.522 -10.851 -6.508 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.824 -8.235 -8.093 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.966 -9.986 -7.906 1.00 0.00 H new ATOM 534 N PRO A 44 5.730 -1.982 -2.527 1.00 0.00 N ATOM 535 CA PRO A 44 4.997 -1.364 -1.393 1.00 0.00 C ATOM 536 C PRO A 44 3.606 -1.988 -1.246 1.00 0.00 C ATOM 537 O PRO A 44 3.140 -2.241 -0.154 1.00 0.00 O ATOM 538 CB PRO A 44 4.889 0.104 -1.793 1.00 0.00 C ATOM 539 CG PRO A 44 4.978 0.111 -3.286 1.00 0.00 C ATOM 540 CD PRO A 44 5.790 -1.091 -3.694 1.00 0.00 C ATOM 0 HA PRO A 44 5.497 -1.507 -0.435 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.948 0.537 -1.453 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.691 0.693 -1.348 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.983 0.071 -3.730 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.448 1.029 -3.638 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.375 -1.569 -4.581 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.817 -0.815 -3.932 1.00 0.00 H new ATOM 548 N MET A 45 2.935 -2.234 -2.341 1.00 0.00 N ATOM 549 CA MET A 45 1.572 -2.837 -2.266 1.00 0.00 C ATOM 550 C MET A 45 1.584 -4.082 -1.374 1.00 0.00 C ATOM 551 O MET A 45 0.678 -4.306 -0.595 1.00 0.00 O ATOM 552 CB MET A 45 1.223 -3.211 -3.708 1.00 0.00 C ATOM 553 CG MET A 45 2.230 -4.240 -4.229 1.00 0.00 C ATOM 554 SD MET A 45 1.992 -4.467 -6.009 1.00 0.00 S ATOM 555 CE MET A 45 0.996 -5.974 -5.912 1.00 0.00 C ATOM 0 H MET A 45 3.273 -2.043 -3.284 1.00 0.00 H new ATOM 0 HA MET A 45 0.844 -2.150 -1.835 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.213 -3.619 -3.754 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.237 -2.322 -4.339 1.00 0.00 H new ATOM 0 HG2 MET A 45 3.247 -3.904 -4.027 1.00 0.00 H new ATOM 0 HG3 MET A 45 2.098 -5.189 -3.709 1.00 0.00 H new ATOM 0 HE1 MET A 45 0.730 -6.300 -6.918 1.00 0.00 H new ATOM 0 HE2 MET A 45 1.569 -6.758 -5.416 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.088 -5.774 -5.344 1.00 0.00 H new ATOM 565 N ALA A 46 2.601 -4.892 -1.478 1.00 0.00 N ATOM 566 CA ALA A 46 2.666 -6.119 -0.631 1.00 0.00 C ATOM 567 C ALA A 46 3.386 -5.813 0.685 1.00 0.00 C ATOM 568 O ALA A 46 3.227 -6.511 1.666 1.00 0.00 O ATOM 569 CB ALA A 46 3.464 -7.129 -1.457 1.00 0.00 C ATOM 0 H ALA A 46 3.389 -4.759 -2.111 1.00 0.00 H new ATOM 0 HA ALA A 46 1.677 -6.496 -0.372 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.556 -8.062 -0.901 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.948 -7.317 -2.399 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.457 -6.728 -1.661 1.00 0.00 H new ATOM 575 N PHE A 47 4.175 -4.774 0.712 1.00 0.00 N ATOM 576 CA PHE A 47 4.904 -4.423 1.964 1.00 0.00 C ATOM 577 C PHE A 47 3.919 -4.285 3.127 1.00 0.00 C ATOM 578 O PHE A 47 4.196 -4.691 4.237 1.00 0.00 O ATOM 579 CB PHE A 47 5.579 -3.083 1.668 1.00 0.00 C ATOM 580 CG PHE A 47 6.686 -2.844 2.667 1.00 0.00 C ATOM 581 CD1 PHE A 47 7.708 -3.803 2.831 1.00 0.00 C ATOM 582 CD2 PHE A 47 6.700 -1.657 3.434 1.00 0.00 C ATOM 583 CE1 PHE A 47 8.745 -3.580 3.765 1.00 0.00 C ATOM 584 CE2 PHE A 47 7.737 -1.433 4.368 1.00 0.00 C ATOM 585 CZ PHE A 47 8.760 -2.395 4.534 1.00 0.00 C ATOM 0 H PHE A 47 4.346 -4.153 -0.079 1.00 0.00 H new ATOM 0 HA PHE A 47 5.627 -5.187 2.250 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.982 -3.083 0.655 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.848 -2.276 1.720 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.698 -4.708 2.242 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.919 -0.922 3.307 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.526 -4.315 3.891 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.748 -0.527 4.955 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.552 -2.224 5.248 1.00 0.00 H new ATOM 595 N LEU A 48 2.772 -3.713 2.880 1.00 0.00 N ATOM 596 CA LEU A 48 1.764 -3.542 3.971 1.00 0.00 C ATOM 597 C LEU A 48 1.576 -4.853 4.744 1.00 0.00 C ATOM 598 O LEU A 48 1.670 -4.887 5.956 1.00 0.00 O ATOM 599 CB LEU A 48 0.470 -3.153 3.255 1.00 0.00 C ATOM 600 CG LEU A 48 0.367 -1.628 3.185 1.00 0.00 C ATOM 601 CD1 LEU A 48 0.468 -1.174 1.728 1.00 0.00 C ATOM 602 CD2 LEU A 48 -0.977 -1.181 3.767 1.00 0.00 C ATOM 0 H LEU A 48 2.487 -3.355 1.968 1.00 0.00 H new ATOM 0 HA LEU A 48 2.073 -2.792 4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.456 -3.576 2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.390 -3.563 3.786 1.00 0.00 H new ATOM 0 HG LEU A 48 1.179 -1.183 3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.394 -0.088 1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.425 -1.492 1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.343 -1.619 1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.052 -0.095 3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.789 -1.627 3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.049 -1.503 4.806 1.00 0.00 H new ATOM 614 N ARG A 49 1.308 -5.928 4.056 1.00 0.00 N ATOM 615 CA ARG A 49 1.114 -7.231 4.754 1.00 0.00 C ATOM 616 C ARG A 49 2.354 -7.584 5.580 1.00 0.00 C ATOM 617 O ARG A 49 2.266 -7.876 6.755 1.00 0.00 O ATOM 618 CB ARG A 49 0.906 -8.254 3.637 1.00 0.00 C ATOM 619 CG ARG A 49 0.678 -9.638 4.250 1.00 0.00 C ATOM 620 CD ARG A 49 0.828 -10.709 3.166 1.00 0.00 C ATOM 621 NE ARG A 49 0.846 -12.002 3.905 1.00 0.00 N ATOM 622 CZ ARG A 49 1.183 -13.102 3.288 1.00 0.00 C ATOM 623 NH1 ARG A 49 0.833 -13.286 2.044 1.00 0.00 N ATOM 624 NH2 ARG A 49 1.869 -14.017 3.915 1.00 0.00 N ATOM 0 H ARG A 49 1.215 -5.961 3.041 1.00 0.00 H new ATOM 0 HA ARG A 49 0.271 -7.204 5.445 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.051 -7.970 3.024 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.776 -8.274 2.981 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.395 -9.815 5.052 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.316 -9.691 4.694 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.002 -10.671 2.456 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.746 -10.567 2.595 1.00 0.00 H new ATOM 0 HE ARG A 49 0.595 -12.028 4.893 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.296 -12.570 1.554 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.096 -14.145 1.562 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.142 -13.873 4.887 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.132 -14.877 3.433 1.00 0.00 H new ATOM 638 N GLU A 50 3.511 -7.561 4.973 1.00 0.00 N ATOM 639 CA GLU A 50 4.754 -7.901 5.727 1.00 0.00 C ATOM 640 C GLU A 50 5.253 -6.694 6.533 1.00 0.00 C ATOM 641 O GLU A 50 6.313 -6.734 7.127 1.00 0.00 O ATOM 642 CB GLU A 50 5.773 -8.282 4.652 1.00 0.00 C ATOM 643 CG GLU A 50 5.603 -9.758 4.288 1.00 0.00 C ATOM 644 CD GLU A 50 6.138 -10.002 2.876 1.00 0.00 C ATOM 645 OE1 GLU A 50 7.326 -10.243 2.746 1.00 0.00 O ATOM 646 OE2 GLU A 50 5.349 -9.942 1.948 1.00 0.00 O ATOM 0 H GLU A 50 3.649 -7.322 3.991 1.00 0.00 H new ATOM 0 HA GLU A 50 4.587 -8.705 6.444 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.634 -7.660 3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.785 -8.100 5.014 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.137 -10.383 5.003 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.551 -10.038 4.343 1.00 0.00 H new ATOM 653 N TYR A 51 4.507 -5.621 6.563 1.00 0.00 N ATOM 654 CA TYR A 51 4.957 -4.427 7.334 1.00 0.00 C ATOM 655 C TYR A 51 4.505 -4.541 8.793 1.00 0.00 C ATOM 656 O TYR A 51 5.311 -4.604 9.700 1.00 0.00 O ATOM 657 CB TYR A 51 4.286 -3.235 6.647 1.00 0.00 C ATOM 658 CG TYR A 51 4.541 -1.976 7.443 1.00 0.00 C ATOM 659 CD1 TYR A 51 5.702 -1.208 7.200 1.00 0.00 C ATOM 660 CD2 TYR A 51 3.620 -1.572 8.435 1.00 0.00 C ATOM 661 CE1 TYR A 51 5.941 -0.035 7.947 1.00 0.00 C ATOM 662 CE2 TYR A 51 3.859 -0.397 9.183 1.00 0.00 C ATOM 663 CZ TYR A 51 5.020 0.372 8.939 1.00 0.00 C ATOM 664 OH TYR A 51 5.254 1.517 9.670 1.00 0.00 O ATOM 0 H TYR A 51 3.609 -5.521 6.089 1.00 0.00 H new ATOM 0 HA TYR A 51 6.042 -4.326 7.348 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.674 -3.121 5.635 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.214 -3.410 6.560 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.406 -1.519 6.443 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.734 -2.161 8.622 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.828 0.552 7.761 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.155 -0.087 9.941 1.00 0.00 H new ATOM 0 HH TYR A 51 4.401 1.885 9.983 1.00 0.00 H new ATOM 674 N PHE A 52 3.221 -4.560 9.028 1.00 0.00 N ATOM 675 CA PHE A 52 2.724 -4.662 10.430 1.00 0.00 C ATOM 676 C PHE A 52 2.702 -6.125 10.884 1.00 0.00 C ATOM 677 O PHE A 52 2.806 -6.418 12.059 1.00 0.00 O ATOM 678 CB PHE A 52 1.308 -4.088 10.392 1.00 0.00 C ATOM 679 CG PHE A 52 1.111 -3.163 11.570 1.00 0.00 C ATOM 680 CD1 PHE A 52 0.759 -3.691 12.830 1.00 0.00 C ATOM 681 CD2 PHE A 52 1.279 -1.769 11.407 1.00 0.00 C ATOM 682 CE1 PHE A 52 0.572 -2.826 13.932 1.00 0.00 C ATOM 683 CE2 PHE A 52 1.092 -0.903 12.508 1.00 0.00 C ATOM 684 CZ PHE A 52 0.740 -1.431 13.772 1.00 0.00 C ATOM 0 H PHE A 52 2.496 -4.509 8.312 1.00 0.00 H new ATOM 0 HA PHE A 52 3.362 -4.125 11.132 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.148 -3.547 9.460 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.576 -4.895 10.422 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.632 -4.757 12.953 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.550 -1.366 10.442 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.301 -3.230 14.896 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.218 0.162 12.384 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.600 -0.770 14.614 1.00 0.00 H new ATOM 694 N GLU A 53 2.565 -7.044 9.969 1.00 0.00 N ATOM 695 CA GLU A 53 2.538 -8.483 10.360 1.00 0.00 C ATOM 696 C GLU A 53 3.777 -8.827 11.190 1.00 0.00 C ATOM 697 O GLU A 53 3.695 -9.521 12.185 1.00 0.00 O ATOM 698 CB GLU A 53 2.543 -9.254 9.039 1.00 0.00 C ATOM 699 CG GLU A 53 2.616 -10.755 9.324 1.00 0.00 C ATOM 700 CD GLU A 53 2.428 -11.534 8.020 1.00 0.00 C ATOM 701 OE1 GLU A 53 3.414 -11.755 7.337 1.00 0.00 O ATOM 702 OE2 GLU A 53 1.299 -11.894 7.727 1.00 0.00 O ATOM 0 H GLU A 53 2.471 -6.863 8.970 1.00 0.00 H new ATOM 0 HA GLU A 53 1.669 -8.730 10.970 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.643 -9.025 8.469 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.393 -8.947 8.430 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.578 -11.004 9.773 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.846 -11.037 10.042 1.00 0.00 H new ATOM 709 N LYS A 54 4.923 -8.347 10.791 1.00 0.00 N ATOM 710 CA LYS A 54 6.164 -8.646 11.561 1.00 0.00 C ATOM 711 C LYS A 54 6.351 -7.621 12.685 1.00 0.00 C ATOM 712 O LYS A 54 6.810 -7.944 13.761 1.00 0.00 O ATOM 713 CB LYS A 54 7.299 -8.539 10.541 1.00 0.00 C ATOM 714 CG LYS A 54 8.019 -9.885 10.436 1.00 0.00 C ATOM 715 CD LYS A 54 8.552 -10.069 9.013 1.00 0.00 C ATOM 716 CE LYS A 54 9.547 -8.951 8.694 1.00 0.00 C ATOM 717 NZ LYS A 54 10.414 -9.508 7.618 1.00 0.00 N ATOM 0 H LYS A 54 5.054 -7.761 9.966 1.00 0.00 H new ATOM 0 HA LYS A 54 6.131 -9.629 12.032 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.902 -8.250 9.568 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.001 -7.761 10.842 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.840 -9.927 11.152 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.335 -10.696 10.687 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.037 -11.041 8.917 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.728 -10.052 8.299 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.034 -8.048 8.361 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.132 -8.680 9.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.124 -8.800 7.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.894 -10.363 7.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.830 -9.751 6.792 1.00 0.00 H new ATOM 731 N LEU A 55 5.997 -6.390 12.439 1.00 0.00 N ATOM 732 CA LEU A 55 6.154 -5.344 13.492 1.00 0.00 C ATOM 733 C LEU A 55 5.219 -5.629 14.673 1.00 0.00 C ATOM 734 O LEU A 55 5.390 -5.099 15.753 1.00 0.00 O ATOM 735 CB LEU A 55 5.767 -4.032 12.808 1.00 0.00 C ATOM 736 CG LEU A 55 7.032 -3.260 12.432 1.00 0.00 C ATOM 737 CD1 LEU A 55 7.714 -3.941 11.244 1.00 0.00 C ATOM 738 CD2 LEU A 55 6.660 -1.825 12.049 1.00 0.00 C ATOM 0 H LEU A 55 5.606 -6.062 11.556 1.00 0.00 H new ATOM 0 HA LEU A 55 7.167 -5.314 13.892 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.174 -4.236 11.916 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.146 -3.432 13.473 1.00 0.00 H new ATOM 0 HG LEU A 55 7.713 -3.246 13.283 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.616 -3.390 10.977 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.980 -4.963 11.514 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.033 -3.956 10.393 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.562 -1.275 11.781 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.978 -1.840 11.199 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.175 -1.337 12.894 1.00 0.00 H new ATOM 750 N GLU A 56 4.230 -6.463 14.478 1.00 0.00 N ATOM 751 CA GLU A 56 3.289 -6.776 15.594 1.00 0.00 C ATOM 752 C GLU A 56 4.064 -7.203 16.844 1.00 0.00 C ATOM 753 O GLU A 56 3.708 -6.862 17.954 1.00 0.00 O ATOM 754 CB GLU A 56 2.431 -7.931 15.078 1.00 0.00 C ATOM 755 CG GLU A 56 0.954 -7.634 15.350 1.00 0.00 C ATOM 756 CD GLU A 56 0.094 -8.774 14.805 1.00 0.00 C ATOM 757 OE1 GLU A 56 0.150 -9.855 15.368 1.00 0.00 O ATOM 758 OE2 GLU A 56 -0.607 -8.548 13.833 1.00 0.00 O ATOM 0 H GLU A 56 4.034 -6.939 13.597 1.00 0.00 H new ATOM 0 HA GLU A 56 2.687 -5.912 15.876 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.594 -8.069 14.009 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.722 -8.860 15.568 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.787 -7.519 16.421 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.669 -6.693 14.880 1.00 0.00 H new ATOM 765 N LYS A 57 5.122 -7.945 16.671 1.00 0.00 N ATOM 766 CA LYS A 57 5.919 -8.393 17.848 1.00 0.00 C ATOM 767 C LYS A 57 6.951 -7.328 18.225 1.00 0.00 C ATOM 768 O LYS A 57 8.125 -7.609 18.362 1.00 0.00 O ATOM 769 CB LYS A 57 6.613 -9.676 17.392 1.00 0.00 C ATOM 770 CG LYS A 57 6.808 -10.606 18.591 1.00 0.00 C ATOM 771 CD LYS A 57 8.089 -11.422 18.403 1.00 0.00 C ATOM 772 CE LYS A 57 8.285 -12.349 19.604 1.00 0.00 C ATOM 773 NZ LYS A 57 7.691 -13.648 19.189 1.00 0.00 N ATOM 0 H LYS A 57 5.470 -8.261 15.766 1.00 0.00 H new ATOM 0 HA LYS A 57 5.298 -8.557 18.729 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.016 -10.172 16.627 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.577 -9.440 16.941 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.867 -10.023 19.510 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.951 -11.272 18.691 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.029 -12.007 17.485 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.946 -10.756 18.301 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.341 -12.459 19.850 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.791 -11.955 20.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.787 -14.337 19.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.684 -13.514 18.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.186 -14.003 18.346 1.00 0.00 H new ATOM 787 N GLU A 58 6.523 -6.107 18.392 1.00 0.00 N ATOM 788 CA GLU A 58 7.481 -5.024 18.760 1.00 0.00 C ATOM 789 C GLU A 58 7.644 -4.955 20.280 1.00 0.00 C ATOM 790 O GLU A 58 8.724 -4.732 20.789 1.00 0.00 O ATOM 791 CB GLU A 58 6.846 -3.739 18.229 1.00 0.00 C ATOM 792 CG GLU A 58 7.919 -2.876 17.562 1.00 0.00 C ATOM 793 CD GLU A 58 8.463 -1.866 18.574 1.00 0.00 C ATOM 794 OE1 GLU A 58 7.684 -1.389 19.383 1.00 0.00 O ATOM 795 OE2 GLU A 58 9.649 -1.586 18.523 1.00 0.00 O ATOM 0 H GLU A 58 5.552 -5.812 18.290 1.00 0.00 H new ATOM 0 HA GLU A 58 8.474 -5.191 18.343 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.060 -3.978 17.513 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.377 -3.189 19.045 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.727 -3.505 17.190 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.499 -2.355 16.702 1.00 0.00 H new ATOM 922 N CYS B 16 12.138 14.348 4.527 1.00 0.00 N ATOM 923 CA CYS B 16 11.942 12.927 4.118 1.00 0.00 C ATOM 924 C CYS B 16 10.449 12.626 3.968 1.00 0.00 C ATOM 925 O CYS B 16 10.057 11.708 3.276 1.00 0.00 O ATOM 926 CB CYS B 16 12.547 12.095 5.250 1.00 0.00 C ATOM 927 SG CYS B 16 13.320 10.608 4.562 1.00 0.00 S ATOM 0 HA CYS B 16 12.411 12.705 3.160 1.00 0.00 H new ATOM 0 HB2 CYS B 16 13.286 12.684 5.793 1.00 0.00 H new ATOM 0 HB3 CYS B 16 11.773 11.817 5.965 1.00 0.00 H new ATOM 932 N GLU B 17 9.613 13.395 4.612 1.00 0.00 N ATOM 933 CA GLU B 17 8.145 13.154 4.504 1.00 0.00 C ATOM 934 C GLU B 17 7.586 13.775 3.217 1.00 0.00 C ATOM 935 O GLU B 17 6.397 13.736 2.969 1.00 0.00 O ATOM 936 CB GLU B 17 7.543 13.838 5.733 1.00 0.00 C ATOM 937 CG GLU B 17 6.190 13.203 6.060 1.00 0.00 C ATOM 938 CD GLU B 17 5.640 13.811 7.352 1.00 0.00 C ATOM 939 OE1 GLU B 17 6.439 14.196 8.188 1.00 0.00 O ATOM 940 OE2 GLU B 17 4.429 13.880 7.482 1.00 0.00 O ATOM 0 H GLU B 17 9.882 14.178 5.207 1.00 0.00 H new ATOM 0 HA GLU B 17 7.907 12.091 4.465 1.00 0.00 H new ATOM 0 HB2 GLU B 17 8.218 13.740 6.584 1.00 0.00 H new ATOM 0 HB3 GLU B 17 7.420 14.905 5.545 1.00 0.00 H new ATOM 0 HG2 GLU B 17 5.491 13.369 5.241 1.00 0.00 H new ATOM 0 HG3 GLU B 17 6.300 12.124 6.171 1.00 0.00 H new ATOM 947 N LEU B 18 8.428 14.346 2.394 1.00 0.00 N ATOM 948 CA LEU B 18 7.929 14.961 1.129 1.00 0.00 C ATOM 949 C LEU B 18 7.828 13.897 0.034 1.00 0.00 C ATOM 950 O LEU B 18 7.005 13.983 -0.856 1.00 0.00 O ATOM 951 CB LEU B 18 8.976 16.014 0.761 1.00 0.00 C ATOM 952 CG LEU B 18 8.300 17.379 0.618 1.00 0.00 C ATOM 953 CD1 LEU B 18 9.353 18.442 0.295 1.00 0.00 C ATOM 954 CD2 LEU B 18 7.271 17.321 -0.513 1.00 0.00 C ATOM 0 H LEU B 18 9.435 14.413 2.543 1.00 0.00 H new ATOM 0 HA LEU B 18 6.937 15.398 1.242 1.00 0.00 H new ATOM 0 HB2 LEU B 18 9.748 16.058 1.529 1.00 0.00 H new ATOM 0 HB3 LEU B 18 9.469 15.741 -0.172 1.00 0.00 H new ATOM 0 HG LEU B 18 7.801 17.636 1.552 1.00 0.00 H new ATOM 0 HD11 LEU B 18 8.870 19.414 0.193 1.00 0.00 H new ATOM 0 HD12 LEU B 18 10.087 18.484 1.100 1.00 0.00 H new ATOM 0 HD13 LEU B 18 9.854 18.186 -0.639 1.00 0.00 H new ATOM 0 HD21 LEU B 18 6.788 18.293 -0.616 1.00 0.00 H new ATOM 0 HD22 LEU B 18 7.771 17.063 -1.447 1.00 0.00 H new ATOM 0 HD23 LEU B 18 6.520 16.566 -0.283 1.00 0.00 H new ATOM 966 N TYR B 19 8.660 12.891 0.094 1.00 0.00 N ATOM 967 CA TYR B 19 8.612 11.821 -0.940 1.00 0.00 C ATOM 968 C TYR B 19 7.275 11.075 -0.861 1.00 0.00 C ATOM 969 O TYR B 19 6.785 10.553 -1.844 1.00 0.00 O ATOM 970 CB TYR B 19 9.775 10.885 -0.597 1.00 0.00 C ATOM 971 CG TYR B 19 9.717 9.655 -1.473 1.00 0.00 C ATOM 972 CD1 TYR B 19 9.939 9.765 -2.863 1.00 0.00 C ATOM 973 CD2 TYR B 19 9.434 8.392 -0.900 1.00 0.00 C ATOM 974 CE1 TYR B 19 9.881 8.614 -3.682 1.00 0.00 C ATOM 975 CE2 TYR B 19 9.376 7.242 -1.718 1.00 0.00 C ATOM 976 CZ TYR B 19 9.600 7.354 -3.109 1.00 0.00 C ATOM 977 OH TYR B 19 9.542 6.231 -3.910 1.00 0.00 O ATOM 0 H TYR B 19 9.370 12.766 0.815 1.00 0.00 H new ATOM 0 HA TYR B 19 8.696 12.216 -1.952 1.00 0.00 H new ATOM 0 HB2 TYR B 19 10.724 11.401 -0.741 1.00 0.00 H new ATOM 0 HB3 TYR B 19 9.725 10.598 0.453 1.00 0.00 H new ATOM 0 HD1 TYR B 19 10.153 10.729 -3.301 1.00 0.00 H new ATOM 0 HD2 TYR B 19 9.262 8.308 0.163 1.00 0.00 H new ATOM 0 HE1 TYR B 19 10.051 8.698 -4.745 1.00 0.00 H new ATOM 0 HE2 TYR B 19 9.161 6.278 -1.281 1.00 0.00 H new ATOM 0 HH TYR B 19 9.340 5.446 -3.359 1.00 0.00 H new ATOM 987 N VAL B 20 6.689 11.015 0.301 1.00 0.00 N ATOM 988 CA VAL B 20 5.390 10.297 0.440 1.00 0.00 C ATOM 989 C VAL B 20 4.232 11.202 0.021 1.00 0.00 C ATOM 990 O VAL B 20 3.410 11.587 0.828 1.00 0.00 O ATOM 991 CB VAL B 20 5.284 9.940 1.924 1.00 0.00 C ATOM 992 CG1 VAL B 20 6.466 9.057 2.327 1.00 0.00 C ATOM 993 CG2 VAL B 20 5.297 11.222 2.758 1.00 0.00 C ATOM 0 H VAL B 20 7.051 11.430 1.159 1.00 0.00 H new ATOM 0 HA VAL B 20 5.343 9.412 -0.194 1.00 0.00 H new ATOM 0 HB VAL B 20 4.354 9.400 2.100 1.00 0.00 H new ATOM 0 HG11 VAL B 20 6.388 8.804 3.384 1.00 0.00 H new ATOM 0 HG12 VAL B 20 6.456 8.143 1.734 1.00 0.00 H new ATOM 0 HG13 VAL B 20 7.398 9.594 2.150 1.00 0.00 H new ATOM 0 HG21 VAL B 20 5.221 10.969 3.816 1.00 0.00 H new ATOM 0 HG22 VAL B 20 6.227 11.763 2.580 1.00 0.00 H new ATOM 0 HG23 VAL B 20 4.452 11.849 2.474 1.00 0.00 H new ATOM 1003 N GLN B 21 4.160 11.541 -1.234 1.00 0.00 N ATOM 1004 CA GLN B 21 3.051 12.415 -1.703 1.00 0.00 C ATOM 1005 C GLN B 21 1.858 11.560 -2.138 1.00 0.00 C ATOM 1006 O GLN B 21 1.725 10.419 -1.741 1.00 0.00 O ATOM 1007 CB GLN B 21 3.625 13.184 -2.893 1.00 0.00 C ATOM 1008 CG GLN B 21 3.179 14.644 -2.823 1.00 0.00 C ATOM 1009 CD GLN B 21 3.976 15.471 -3.834 1.00 0.00 C ATOM 1010 OE1 GLN B 21 4.809 14.946 -4.543 1.00 0.00 O ATOM 1011 NE2 GLN B 21 3.749 16.754 -3.932 1.00 0.00 N ATOM 0 H GLN B 21 4.820 11.251 -1.955 1.00 0.00 H new ATOM 0 HA GLN B 21 2.694 13.087 -0.922 1.00 0.00 H new ATOM 0 HB2 GLN B 21 4.713 13.125 -2.886 1.00 0.00 H new ATOM 0 HB3 GLN B 21 3.287 12.734 -3.827 1.00 0.00 H new ATOM 0 HG2 GLN B 21 2.113 14.720 -3.035 1.00 0.00 H new ATOM 0 HG3 GLN B 21 3.332 15.034 -1.817 1.00 0.00 H new ATOM 0 HE21 GLN B 21 3.049 17.195 -3.336 1.00 0.00 H new ATOM 0 HE22 GLN B 21 4.272 17.315 -4.605 1.00 0.00 H new ATOM 1020 N LYS B 22 0.991 12.098 -2.953 1.00 0.00 N ATOM 1021 CA LYS B 22 -0.185 11.307 -3.412 1.00 0.00 C ATOM 1022 C LYS B 22 0.274 10.210 -4.375 1.00 0.00 C ATOM 1023 O LYS B 22 -0.083 10.201 -5.537 1.00 0.00 O ATOM 1024 CB LYS B 22 -1.088 12.315 -4.127 1.00 0.00 C ATOM 1025 CG LYS B 22 -0.357 12.886 -5.345 1.00 0.00 C ATOM 1026 CD LYS B 22 -0.381 14.414 -5.284 1.00 0.00 C ATOM 1027 CE LYS B 22 -0.322 14.984 -6.705 1.00 0.00 C ATOM 1028 NZ LYS B 22 -0.679 16.422 -6.560 1.00 0.00 N ATOM 0 H LYS B 22 1.046 13.048 -3.319 1.00 0.00 H new ATOM 0 HA LYS B 22 -0.705 10.815 -2.591 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -2.014 11.832 -4.439 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -1.363 13.120 -3.445 1.00 0.00 H new ATOM 0 HG2 LYS B 22 0.672 12.528 -5.365 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -0.833 12.541 -6.263 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -1.287 14.754 -4.782 1.00 0.00 H new ATOM 0 HD3 LYS B 22 0.464 14.778 -4.699 1.00 0.00 H new ATOM 0 HE2 LYS B 22 0.672 14.866 -7.136 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -1.019 14.469 -7.366 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -0.660 16.880 -7.493 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -1.633 16.504 -6.154 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 0.006 16.888 -5.931 1.00 0.00 H new ATOM 1042 N HIS B 23 1.071 9.289 -3.905 1.00 0.00 N ATOM 1043 CA HIS B 23 1.560 8.204 -4.804 1.00 0.00 C ATOM 1044 C HIS B 23 2.222 7.087 -3.993 1.00 0.00 C ATOM 1045 O HIS B 23 2.050 5.917 -4.269 1.00 0.00 O ATOM 1046 CB HIS B 23 2.594 8.885 -5.698 1.00 0.00 C ATOM 1047 CG HIS B 23 2.724 8.124 -6.990 1.00 0.00 C ATOM 1048 ND1 HIS B 23 1.648 7.923 -7.841 1.00 0.00 N ATOM 1049 CD2 HIS B 23 3.795 7.510 -7.587 1.00 0.00 C ATOM 1050 CE1 HIS B 23 2.092 7.215 -8.894 1.00 0.00 C ATOM 1051 NE2 HIS B 23 3.394 6.935 -8.791 1.00 0.00 N ATOM 0 H HIS B 23 1.404 9.240 -2.942 1.00 0.00 H new ATOM 0 HA HIS B 23 0.750 7.744 -5.371 1.00 0.00 H new ATOM 0 HB2 HIS B 23 2.295 9.914 -5.899 1.00 0.00 H new ATOM 0 HB3 HIS B 23 3.558 8.927 -5.190 1.00 0.00 H new ATOM 0 HD2 HIS B 23 4.797 7.477 -7.185 1.00 0.00 H new ATOM 0 HE1 HIS B 23 1.471 6.909 -9.723 1.00 0.00 H new ATOM 0 HE2 HIS B 23 3.970 6.413 -9.451 1.00 0.00 H new ATOM 1059 N ASN B 24 2.994 7.441 -3.003 1.00 0.00 N ATOM 1060 CA ASN B 24 3.687 6.406 -2.184 1.00 0.00 C ATOM 1061 C ASN B 24 2.725 5.774 -1.166 1.00 0.00 C ATOM 1062 O ASN B 24 2.103 4.768 -1.437 1.00 0.00 O ATOM 1063 CB ASN B 24 4.817 7.164 -1.488 1.00 0.00 C ATOM 1064 CG ASN B 24 5.574 6.222 -0.545 1.00 0.00 C ATOM 1065 OD1 ASN B 24 5.149 5.112 -0.302 1.00 0.00 O ATOM 1066 ND2 ASN B 24 6.690 6.626 -0.002 1.00 0.00 N ATOM 0 H ASN B 24 3.176 8.405 -2.725 1.00 0.00 H new ATOM 0 HA ASN B 24 4.060 5.579 -2.788 1.00 0.00 H new ATOM 0 HB2 ASN B 24 5.501 7.577 -2.230 1.00 0.00 H new ATOM 0 HB3 ASN B 24 4.410 8.005 -0.927 1.00 0.00 H new ATOM 0 HD21 ASN B 24 7.204 6.009 0.626 1.00 0.00 H new ATOM 0 HD22 ASN B 24 7.048 7.559 -0.206 1.00 0.00 H new ATOM 1073 N ILE B 25 2.605 6.342 0.006 1.00 0.00 N ATOM 1074 CA ILE B 25 1.696 5.753 1.028 1.00 0.00 C ATOM 1075 C ILE B 25 0.281 6.335 0.911 1.00 0.00 C ATOM 1076 O ILE B 25 -0.597 6.005 1.684 1.00 0.00 O ATOM 1077 CB ILE B 25 2.323 6.127 2.371 1.00 0.00 C ATOM 1078 CG1 ILE B 25 3.686 5.443 2.503 1.00 0.00 C ATOM 1079 CG2 ILE B 25 1.413 5.665 3.512 1.00 0.00 C ATOM 1080 CD1 ILE B 25 4.748 6.480 2.877 1.00 0.00 C ATOM 0 H ILE B 25 3.097 7.187 0.297 1.00 0.00 H new ATOM 0 HA ILE B 25 1.592 4.675 0.905 1.00 0.00 H new ATOM 0 HB ILE B 25 2.447 7.209 2.422 1.00 0.00 H new ATOM 0 HG12 ILE B 25 3.641 4.664 3.264 1.00 0.00 H new ATOM 0 HG13 ILE B 25 3.953 4.957 1.564 1.00 0.00 H new ATOM 0 HG21 ILE B 25 1.863 5.933 4.468 1.00 0.00 H new ATOM 0 HG22 ILE B 25 0.441 6.149 3.420 1.00 0.00 H new ATOM 0 HG23 ILE B 25 1.286 4.584 3.461 1.00 0.00 H new ATOM 0 HD11 ILE B 25 5.717 5.991 2.970 1.00 0.00 H new ATOM 0 HD12 ILE B 25 4.800 7.244 2.101 1.00 0.00 H new ATOM 0 HD13 ILE B 25 4.484 6.945 3.827 1.00 0.00 H new ATOM 1092 N GLN B 26 0.046 7.193 -0.045 1.00 0.00 N ATOM 1093 CA GLN B 26 -1.319 7.777 -0.192 1.00 0.00 C ATOM 1094 C GLN B 26 -2.284 6.728 -0.749 1.00 0.00 C ATOM 1095 O GLN B 26 -3.484 6.829 -0.591 1.00 0.00 O ATOM 1096 CB GLN B 26 -1.154 8.932 -1.178 1.00 0.00 C ATOM 1097 CG GLN B 26 -2.289 9.939 -0.977 1.00 0.00 C ATOM 1098 CD GLN B 26 -3.077 10.086 -2.279 1.00 0.00 C ATOM 1099 OE1 GLN B 26 -3.366 9.110 -2.942 1.00 0.00 O ATOM 1100 NE2 GLN B 26 -3.444 11.274 -2.675 1.00 0.00 N ATOM 0 H GLN B 26 0.734 7.513 -0.726 1.00 0.00 H new ATOM 0 HA GLN B 26 -1.729 8.112 0.761 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -0.190 9.419 -1.027 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -1.164 8.556 -2.201 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -2.948 9.605 -0.176 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -1.884 10.904 -0.674 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -3.202 12.094 -2.119 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -3.973 11.382 -3.540 1.00 0.00 H new ATOM 1109 N ALA B 27 -1.769 5.719 -1.400 1.00 0.00 N ATOM 1110 CA ALA B 27 -2.659 4.663 -1.963 1.00 0.00 C ATOM 1111 C ALA B 27 -3.352 3.899 -0.832 1.00 0.00 C ATOM 1112 O ALA B 27 -4.563 3.870 -0.742 1.00 0.00 O ATOM 1113 CB ALA B 27 -1.727 3.736 -2.745 1.00 0.00 C ATOM 0 H ALA B 27 -0.772 5.581 -1.566 1.00 0.00 H new ATOM 0 HA ALA B 27 -3.445 5.077 -2.594 1.00 0.00 H new ATOM 0 HB1 ALA B 27 -2.308 2.929 -3.192 1.00 0.00 H new ATOM 0 HB2 ALA B 27 -1.227 4.302 -3.531 1.00 0.00 H new ATOM 0 HB3 ALA B 27 -0.981 3.316 -2.070 1.00 0.00 H new ATOM 1119 N LEU B 28 -2.592 3.284 0.031 1.00 0.00 N ATOM 1120 CA LEU B 28 -3.206 2.525 1.158 1.00 0.00 C ATOM 1121 C LEU B 28 -3.974 3.472 2.084 1.00 0.00 C ATOM 1122 O LEU B 28 -4.832 3.060 2.836 1.00 0.00 O ATOM 1123 CB LEU B 28 -2.027 1.891 1.899 1.00 0.00 C ATOM 1124 CG LEU B 28 -1.035 2.983 2.307 1.00 0.00 C ATOM 1125 CD1 LEU B 28 -0.769 2.896 3.810 1.00 0.00 C ATOM 1126 CD2 LEU B 28 0.279 2.783 1.546 1.00 0.00 C ATOM 0 H LEU B 28 -1.572 3.274 0.005 1.00 0.00 H new ATOM 0 HA LEU B 28 -3.919 1.778 0.809 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -2.382 1.359 2.782 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -1.535 1.157 1.261 1.00 0.00 H new ATOM 0 HG LEU B 28 -1.452 3.961 2.068 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -0.063 3.674 4.100 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -1.704 3.034 4.354 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -0.351 1.918 4.049 1.00 0.00 H new ATOM 0 HD21 LEU B 28 0.988 3.559 1.834 1.00 0.00 H new ATOM 0 HD22 LEU B 28 0.694 1.804 1.788 1.00 0.00 H new ATOM 0 HD23 LEU B 28 0.091 2.843 0.474 1.00 0.00 H new ATOM 1138 N LEU B 29 -3.673 4.741 2.033 1.00 0.00 N ATOM 1139 CA LEU B 29 -4.389 5.710 2.912 1.00 0.00 C ATOM 1140 C LEU B 29 -5.764 6.039 2.325 1.00 0.00 C ATOM 1141 O LEU B 29 -6.711 6.296 3.043 1.00 0.00 O ATOM 1142 CB LEU B 29 -3.504 6.959 2.939 1.00 0.00 C ATOM 1143 CG LEU B 29 -2.876 7.106 4.326 1.00 0.00 C ATOM 1144 CD1 LEU B 29 -2.041 5.864 4.646 1.00 0.00 C ATOM 1145 CD2 LEU B 29 -1.975 8.343 4.349 1.00 0.00 C ATOM 0 H LEU B 29 -2.964 5.148 1.423 1.00 0.00 H new ATOM 0 HA LEU B 29 -4.557 5.311 3.912 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -2.725 6.882 2.181 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -4.096 7.843 2.700 1.00 0.00 H new ATOM 0 HG LEU B 29 -3.665 7.214 5.070 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -1.594 5.971 5.635 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -2.681 4.982 4.630 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -1.252 5.754 3.902 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -1.527 8.449 5.337 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -1.187 8.233 3.603 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -2.568 9.229 4.123 1.00 0.00 H new ATOM 1157 N LYS B 30 -5.883 6.031 1.026 1.00 0.00 N ATOM 1158 CA LYS B 30 -7.200 6.341 0.395 1.00 0.00 C ATOM 1159 C LYS B 30 -8.264 5.355 0.887 1.00 0.00 C ATOM 1160 O LYS B 30 -9.259 5.740 1.465 1.00 0.00 O ATOM 1161 CB LYS B 30 -6.969 6.176 -1.107 1.00 0.00 C ATOM 1162 CG LYS B 30 -8.008 6.995 -1.875 1.00 0.00 C ATOM 1163 CD LYS B 30 -7.981 6.596 -3.352 1.00 0.00 C ATOM 1164 CE LYS B 30 -9.075 7.358 -4.107 1.00 0.00 C ATOM 1165 NZ LYS B 30 -8.698 7.246 -5.543 1.00 0.00 N ATOM 0 H LYS B 30 -5.127 5.824 0.373 1.00 0.00 H new ATOM 0 HA LYS B 30 -7.553 7.342 0.644 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -5.964 6.506 -1.370 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -7.042 5.124 -1.384 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -9.001 6.824 -1.459 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -7.797 8.059 -1.771 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -7.005 6.819 -3.782 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -8.136 5.522 -3.452 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -10.058 6.925 -3.922 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -9.121 8.400 -3.791 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -9.400 7.744 -6.126 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -7.761 7.672 -5.690 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -8.669 6.243 -5.817 1.00 0.00 H new ATOM 1179 N ASP B 31 -8.058 4.086 0.662 1.00 0.00 N ATOM 1180 CA ASP B 31 -9.057 3.077 1.116 1.00 0.00 C ATOM 1181 C ASP B 31 -9.155 3.087 2.644 1.00 0.00 C ATOM 1182 O ASP B 31 -10.203 2.847 3.210 1.00 0.00 O ATOM 1183 CB ASP B 31 -8.519 1.735 0.621 1.00 0.00 C ATOM 1184 CG ASP B 31 -9.283 1.311 -0.634 1.00 0.00 C ATOM 1185 OD1 ASP B 31 -10.444 0.959 -0.507 1.00 0.00 O ATOM 1186 OD2 ASP B 31 -8.693 1.344 -1.702 1.00 0.00 O ATOM 0 H ASP B 31 -7.242 3.704 0.184 1.00 0.00 H new ATOM 0 HA ASP B 31 -10.056 3.280 0.731 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -7.454 1.817 0.401 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -8.627 0.979 1.398 1.00 0.00 H new ATOM 1191 N SER B 32 -8.071 3.362 3.316 1.00 0.00 N ATOM 1192 CA SER B 32 -8.103 3.387 4.806 1.00 0.00 C ATOM 1193 C SER B 32 -9.064 4.475 5.295 1.00 0.00 C ATOM 1194 O SER B 32 -9.812 4.280 6.233 1.00 0.00 O ATOM 1195 CB SER B 32 -6.670 3.709 5.231 1.00 0.00 C ATOM 1196 OG SER B 32 -6.047 2.525 5.709 1.00 0.00 O ATOM 0 H SER B 32 -7.164 3.571 2.898 1.00 0.00 H new ATOM 0 HA SER B 32 -8.449 2.443 5.226 1.00 0.00 H new ATOM 0 HB2 SER B 32 -6.110 4.114 4.388 1.00 0.00 H new ATOM 0 HB3 SER B 32 -6.672 4.473 6.009 1.00 0.00 H new ATOM 0 HG SER B 32 -6.308 1.767 5.145 1.00 0.00 H new ATOM 1202 N ILE B 33 -9.050 5.619 4.667 1.00 0.00 N ATOM 1203 CA ILE B 33 -9.966 6.716 5.096 1.00 0.00 C ATOM 1204 C ILE B 33 -11.422 6.306 4.867 1.00 0.00 C ATOM 1205 O ILE B 33 -12.289 6.570 5.675 1.00 0.00 O ATOM 1206 CB ILE B 33 -9.599 7.907 4.213 1.00 0.00 C ATOM 1207 CG1 ILE B 33 -8.160 8.338 4.509 1.00 0.00 C ATOM 1208 CG2 ILE B 33 -10.547 9.073 4.503 1.00 0.00 C ATOM 1209 CD1 ILE B 33 -7.555 8.992 3.266 1.00 0.00 C ATOM 0 H ILE B 33 -8.445 5.842 3.877 1.00 0.00 H new ATOM 0 HA ILE B 33 -9.864 6.949 6.156 1.00 0.00 H new ATOM 0 HB ILE B 33 -9.686 7.620 3.165 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -8.144 9.037 5.345 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -7.564 7.474 4.804 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -10.283 9.922 3.872 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -11.572 8.769 4.293 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -10.461 9.360 5.551 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -6.531 9.298 3.478 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -7.557 8.279 2.442 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -8.145 9.866 2.991 1.00 0.00 H new ATOM 1221 N VAL B 34 -11.698 5.659 3.767 1.00 0.00 N ATOM 1222 CA VAL B 34 -13.099 5.232 3.485 1.00 0.00 C ATOM 1223 C VAL B 34 -13.518 4.124 4.456 1.00 0.00 C ATOM 1224 O VAL B 34 -14.688 3.916 4.706 1.00 0.00 O ATOM 1225 CB VAL B 34 -13.068 4.705 2.051 1.00 0.00 C ATOM 1226 CG1 VAL B 34 -14.454 4.179 1.671 1.00 0.00 C ATOM 1227 CG2 VAL B 34 -12.677 5.839 1.100 1.00 0.00 C ATOM 0 H VAL B 34 -11.015 5.408 3.052 1.00 0.00 H new ATOM 0 HA VAL B 34 -13.813 6.046 3.605 1.00 0.00 H new ATOM 0 HB VAL B 34 -12.339 3.898 1.976 1.00 0.00 H new ATOM 0 HG11 VAL B 34 -14.433 3.803 0.648 1.00 0.00 H new ATOM 0 HG12 VAL B 34 -14.735 3.373 2.348 1.00 0.00 H new ATOM 0 HG13 VAL B 34 -15.183 4.986 1.746 1.00 0.00 H new ATOM 0 HG21 VAL B 34 -12.655 5.464 0.077 1.00 0.00 H new ATOM 0 HG22 VAL B 34 -13.407 6.645 1.175 1.00 0.00 H new ATOM 0 HG23 VAL B 34 -11.691 6.216 1.370 1.00 0.00 H new ATOM 1237 N GLN B 35 -12.571 3.415 5.006 1.00 0.00 N ATOM 1238 CA GLN B 35 -12.916 2.323 5.959 1.00 0.00 C ATOM 1239 C GLN B 35 -12.766 2.812 7.403 1.00 0.00 C ATOM 1240 O GLN B 35 -13.493 2.402 8.285 1.00 0.00 O ATOM 1241 CB GLN B 35 -11.918 1.205 5.664 1.00 0.00 C ATOM 1242 CG GLN B 35 -12.427 0.358 4.497 1.00 0.00 C ATOM 1243 CD GLN B 35 -11.320 -0.588 4.031 1.00 0.00 C ATOM 1244 OE1 GLN B 35 -10.276 -0.150 3.588 1.00 0.00 O ATOM 1245 NE2 GLN B 35 -11.504 -1.878 4.109 1.00 0.00 N ATOM 0 H GLN B 35 -11.574 3.545 4.837 1.00 0.00 H new ATOM 0 HA GLN B 35 -13.947 1.987 5.844 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -10.943 1.628 5.421 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -11.783 0.581 6.548 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -13.303 -0.214 4.804 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -12.739 1.002 3.675 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -12.379 -2.247 4.481 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -10.772 -2.517 3.798 1.00 0.00 H new ATOM 1254 N LEU B 36 -11.827 3.683 7.648 1.00 0.00 N ATOM 1255 CA LEU B 36 -11.633 4.196 9.036 1.00 0.00 C ATOM 1256 C LEU B 36 -12.653 5.297 9.348 1.00 0.00 C ATOM 1257 O LEU B 36 -12.860 5.655 10.489 1.00 0.00 O ATOM 1258 CB LEU B 36 -10.210 4.759 9.056 1.00 0.00 C ATOM 1259 CG LEU B 36 -9.207 3.604 9.133 1.00 0.00 C ATOM 1260 CD1 LEU B 36 -8.029 3.882 8.196 1.00 0.00 C ATOM 1261 CD2 LEU B 36 -8.693 3.466 10.569 1.00 0.00 C ATOM 0 H LEU B 36 -11.186 4.062 6.950 1.00 0.00 H new ATOM 0 HA LEU B 36 -11.774 3.417 9.785 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -10.029 5.353 8.160 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -10.082 5.424 9.910 1.00 0.00 H new ATOM 0 HG LEU B 36 -9.699 2.679 8.832 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -7.317 3.059 8.253 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -8.393 3.977 7.173 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -7.538 4.808 8.494 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -7.979 2.644 10.623 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -8.203 4.392 10.871 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -9.530 3.264 11.237 1.00 0.00 H new ATOM 1273 N CYS B 37 -13.297 5.835 8.344 1.00 0.00 N ATOM 1274 CA CYS B 37 -14.306 6.908 8.594 1.00 0.00 C ATOM 1275 C CYS B 37 -15.288 6.466 9.683 1.00 0.00 C ATOM 1276 O CYS B 37 -15.846 7.274 10.398 1.00 0.00 O ATOM 1277 CB CYS B 37 -15.030 7.092 7.259 1.00 0.00 C ATOM 1278 SG CYS B 37 -14.495 8.641 6.492 1.00 0.00 S ATOM 0 H CYS B 37 -13.168 5.579 7.365 1.00 0.00 H new ATOM 0 HA CYS B 37 -13.847 7.835 8.938 1.00 0.00 H new ATOM 0 HB2 CYS B 37 -14.815 6.253 6.598 1.00 0.00 H new ATOM 0 HB3 CYS B 37 -16.108 7.105 7.417 1.00 0.00 H new ATOM 1283 N THR B 38 -15.495 5.184 9.819 1.00 0.00 N ATOM 1284 CA THR B 38 -16.430 4.685 10.867 1.00 0.00 C ATOM 1285 C THR B 38 -15.717 4.619 12.221 1.00 0.00 C ATOM 1286 O THR B 38 -16.343 4.562 13.260 1.00 0.00 O ATOM 1287 CB THR B 38 -16.834 3.285 10.404 1.00 0.00 C ATOM 1288 OG1 THR B 38 -17.533 3.379 9.170 1.00 0.00 O ATOM 1289 CG2 THR B 38 -17.737 2.638 11.456 1.00 0.00 C ATOM 0 H THR B 38 -15.057 4.461 9.249 1.00 0.00 H new ATOM 0 HA THR B 38 -17.295 5.336 10.994 1.00 0.00 H new ATOM 0 HB THR B 38 -15.941 2.675 10.270 1.00 0.00 H new ATOM 0 HG1 THR B 38 -17.791 2.482 8.871 1.00 0.00 H new ATOM 0 HG21 THR B 38 -18.024 1.640 11.125 1.00 0.00 H new ATOM 0 HG22 THR B 38 -17.200 2.566 12.402 1.00 0.00 H new ATOM 0 HG23 THR B 38 -18.631 3.247 11.592 1.00 0.00 H new ATOM 1297 N ALA B 39 -14.409 4.627 12.216 1.00 0.00 N ATOM 1298 CA ALA B 39 -13.651 4.566 13.501 1.00 0.00 C ATOM 1299 C ALA B 39 -14.033 3.311 14.288 1.00 0.00 C ATOM 1300 O ALA B 39 -14.608 2.383 13.756 1.00 0.00 O ATOM 1301 CB ALA B 39 -14.057 5.825 14.271 1.00 0.00 C ATOM 0 H ALA B 39 -13.832 4.673 11.376 1.00 0.00 H new ATOM 0 HA ALA B 39 -12.575 4.521 13.336 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -13.538 5.849 15.229 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -13.789 6.708 13.691 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -15.133 5.816 14.442 1.00 0.00 H new ATOM 1307 N ARG B 40 -13.715 3.277 15.552 1.00 0.00 N ATOM 1308 CA ARG B 40 -14.055 2.084 16.379 1.00 0.00 C ATOM 1309 C ARG B 40 -13.519 0.800 15.726 1.00 0.00 C ATOM 1310 O ARG B 40 -14.243 -0.164 15.589 1.00 0.00 O ATOM 1311 CB ARG B 40 -15.581 2.061 16.425 1.00 0.00 C ATOM 1312 CG ARG B 40 -16.049 1.418 17.731 1.00 0.00 C ATOM 1313 CD ARG B 40 -17.551 1.137 17.651 1.00 0.00 C ATOM 1314 NE ARG B 40 -18.087 1.526 18.984 1.00 0.00 N ATOM 1315 CZ ARG B 40 -19.365 1.742 19.137 1.00 0.00 C ATOM 1316 NH1 ARG B 40 -19.912 2.809 18.623 1.00 0.00 N ATOM 1317 NH2 ARG B 40 -20.095 0.892 19.804 1.00 0.00 N ATOM 0 H ARG B 40 -13.233 4.026 16.050 1.00 0.00 H new ATOM 0 HA ARG B 40 -13.612 2.137 17.374 1.00 0.00 H new ATOM 0 HB2 ARG B 40 -15.972 3.076 16.348 1.00 0.00 H new ATOM 0 HB3 ARG B 40 -15.971 1.503 15.574 1.00 0.00 H new ATOM 0 HG2 ARG B 40 -15.504 0.491 17.908 1.00 0.00 H new ATOM 0 HG3 ARG B 40 -15.836 2.079 18.571 1.00 0.00 H new ATOM 0 HD2 ARG B 40 -18.019 1.715 16.854 1.00 0.00 H new ATOM 0 HD3 ARG B 40 -17.745 0.086 17.439 1.00 0.00 H new ATOM 0 HE ARG B 40 -17.455 1.624 19.779 1.00 0.00 H new ATOM 0 HH11 ARG B 40 -19.341 3.474 18.102 1.00 0.00 H new ATOM 0 HH12 ARG B 40 -20.911 2.978 18.742 1.00 0.00 H new ATOM 0 HH21 ARG B 40 -19.667 0.058 20.206 1.00 0.00 H new ATOM 0 HH22 ARG B 40 -21.094 1.061 19.923 1.00 0.00 H new ATOM 1331 N PRO B 41 -12.262 0.823 15.346 1.00 0.00 N ATOM 1332 CA PRO B 41 -11.650 -0.370 14.710 1.00 0.00 C ATOM 1333 C PRO B 41 -11.384 -1.453 15.759 1.00 0.00 C ATOM 1334 O PRO B 41 -10.606 -1.265 16.675 1.00 0.00 O ATOM 1335 CB PRO B 41 -10.337 0.161 14.138 1.00 0.00 C ATOM 1336 CG PRO B 41 -10.005 1.356 14.973 1.00 0.00 C ATOM 1337 CD PRO B 41 -11.307 1.934 15.464 1.00 0.00 C ATOM 0 HA PRO B 41 -12.287 -0.826 13.952 1.00 0.00 H new ATOM 0 HB2 PRO B 41 -9.550 -0.591 14.194 1.00 0.00 H new ATOM 0 HB3 PRO B 41 -10.445 0.431 13.088 1.00 0.00 H new ATOM 0 HG2 PRO B 41 -9.369 1.074 15.812 1.00 0.00 H new ATOM 0 HG3 PRO B 41 -9.454 2.092 14.388 1.00 0.00 H new ATOM 0 HD2 PRO B 41 -11.225 2.281 16.494 1.00 0.00 H new ATOM 0 HD3 PRO B 41 -11.615 2.789 14.863 1.00 0.00 H new ATOM 1345 N GLU B 42 -12.023 -2.585 15.635 1.00 0.00 N ATOM 1346 CA GLU B 42 -11.805 -3.677 16.628 1.00 0.00 C ATOM 1347 C GLU B 42 -10.309 -3.968 16.778 1.00 0.00 C ATOM 1348 O GLU B 42 -9.831 -4.273 17.853 1.00 0.00 O ATOM 1349 CB GLU B 42 -12.534 -4.891 16.051 1.00 0.00 C ATOM 1350 CG GLU B 42 -11.906 -5.274 14.709 1.00 0.00 C ATOM 1351 CD GLU B 42 -12.777 -6.328 14.021 1.00 0.00 C ATOM 1352 OE1 GLU B 42 -13.386 -7.116 14.726 1.00 0.00 O ATOM 1353 OE2 GLU B 42 -12.819 -6.330 12.803 1.00 0.00 O ATOM 0 H GLU B 42 -12.686 -2.801 14.890 1.00 0.00 H new ATOM 0 HA GLU B 42 -12.176 -3.413 17.618 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -12.473 -5.729 16.745 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -13.592 -4.664 15.918 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -11.813 -4.393 14.074 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -10.900 -5.663 14.864 1.00 0.00 H new ATOM 1360 N ARG B 43 -9.567 -3.878 15.709 1.00 0.00 N ATOM 1361 CA ARG B 43 -8.103 -4.152 15.791 1.00 0.00 C ATOM 1362 C ARG B 43 -7.387 -3.571 14.565 1.00 0.00 C ATOM 1363 O ARG B 43 -7.272 -4.229 13.550 1.00 0.00 O ATOM 1364 CB ARG B 43 -7.987 -5.675 15.811 1.00 0.00 C ATOM 1365 CG ARG B 43 -7.988 -6.168 17.259 1.00 0.00 C ATOM 1366 CD ARG B 43 -7.118 -7.421 17.370 1.00 0.00 C ATOM 1367 NE ARG B 43 -7.638 -8.145 18.564 1.00 0.00 N ATOM 1368 CZ ARG B 43 -7.196 -9.341 18.844 1.00 0.00 C ATOM 1369 NH1 ARG B 43 -7.735 -10.385 18.277 1.00 0.00 N ATOM 1370 NH2 ARG B 43 -6.213 -9.492 19.690 1.00 0.00 N ATOM 0 H ARG B 43 -9.910 -3.627 14.782 1.00 0.00 H new ATOM 0 HA ARG B 43 -7.645 -3.698 16.670 1.00 0.00 H new ATOM 0 HB2 ARG B 43 -8.817 -6.121 15.263 1.00 0.00 H new ATOM 0 HB3 ARG B 43 -7.071 -5.987 15.310 1.00 0.00 H new ATOM 0 HG2 ARG B 43 -7.609 -5.389 17.920 1.00 0.00 H new ATOM 0 HG3 ARG B 43 -9.006 -6.389 17.579 1.00 0.00 H new ATOM 0 HD2 ARG B 43 -7.193 -8.035 16.472 1.00 0.00 H new ATOM 0 HD3 ARG B 43 -6.066 -7.162 17.492 1.00 0.00 H new ATOM 0 HE ARG B 43 -8.339 -7.707 19.162 1.00 0.00 H new ATOM 0 HH11 ARG B 43 -8.502 -10.267 17.615 1.00 0.00 H new ATOM 0 HH12 ARG B 43 -7.390 -11.319 18.496 1.00 0.00 H new ATOM 0 HH21 ARG B 43 -5.791 -8.676 20.132 1.00 0.00 H new ATOM 0 HH22 ARG B 43 -5.868 -10.426 19.909 1.00 0.00 H new ATOM 1384 N PRO B 44 -6.928 -2.351 14.697 1.00 0.00 N ATOM 1385 CA PRO B 44 -6.218 -1.684 13.577 1.00 0.00 C ATOM 1386 C PRO B 44 -4.806 -2.255 13.418 1.00 0.00 C ATOM 1387 O PRO B 44 -4.334 -2.472 12.320 1.00 0.00 O ATOM 1388 CB PRO B 44 -6.165 -0.221 14.005 1.00 0.00 C ATOM 1389 CG PRO B 44 -6.251 -0.246 15.498 1.00 0.00 C ATOM 1390 CD PRO B 44 -7.022 -1.485 15.881 1.00 0.00 C ATOM 0 HA PRO B 44 -6.712 -1.825 12.616 1.00 0.00 H new ATOM 0 HB2 PRO B 44 -5.242 0.254 13.672 1.00 0.00 H new ATOM 0 HB3 PRO B 44 -6.989 0.346 13.572 1.00 0.00 H new ATOM 0 HG2 PRO B 44 -5.255 -0.261 15.940 1.00 0.00 H new ATOM 0 HG3 PRO B 44 -6.751 0.648 15.869 1.00 0.00 H new ATOM 0 HD2 PRO B 44 -6.592 -1.965 16.760 1.00 0.00 H new ATOM 0 HD3 PRO B 44 -8.059 -1.250 16.121 1.00 0.00 H new ATOM 1398 N MET B 45 -4.127 -2.497 14.507 1.00 0.00 N ATOM 1399 CA MET B 45 -2.743 -3.049 14.418 1.00 0.00 C ATOM 1400 C MET B 45 -2.710 -4.274 13.500 1.00 0.00 C ATOM 1401 O MET B 45 -1.800 -4.450 12.717 1.00 0.00 O ATOM 1402 CB MET B 45 -2.379 -3.440 15.852 1.00 0.00 C ATOM 1403 CG MET B 45 -3.346 -4.514 16.352 1.00 0.00 C ATOM 1404 SD MET B 45 -3.098 -4.768 18.126 1.00 0.00 S ATOM 1405 CE MET B 45 -2.048 -6.237 18.001 1.00 0.00 C ATOM 0 H MET B 45 -4.470 -2.337 15.454 1.00 0.00 H new ATOM 0 HA MET B 45 -2.041 -2.328 14.000 1.00 0.00 H new ATOM 0 HB2 MET B 45 -1.355 -3.812 15.889 1.00 0.00 H new ATOM 0 HB3 MET B 45 -2.424 -2.565 16.501 1.00 0.00 H new ATOM 0 HG2 MET B 45 -4.375 -4.212 16.157 1.00 0.00 H new ATOM 0 HG3 MET B 45 -3.181 -5.447 15.813 1.00 0.00 H new ATOM 0 HE1 MET B 45 -1.771 -6.572 19.000 1.00 0.00 H new ATOM 0 HE2 MET B 45 -2.593 -7.031 17.490 1.00 0.00 H new ATOM 0 HE3 MET B 45 -1.148 -5.994 17.437 1.00 0.00 H new ATOM 1415 N ALA B 46 -3.698 -5.123 13.586 1.00 0.00 N ATOM 1416 CA ALA B 46 -3.719 -6.333 12.716 1.00 0.00 C ATOM 1417 C ALA B 46 -4.451 -6.027 11.406 1.00 0.00 C ATOM 1418 O ALA B 46 -4.267 -6.697 10.409 1.00 0.00 O ATOM 1419 CB ALA B 46 -4.476 -7.390 13.520 1.00 0.00 C ATOM 0 H ALA B 46 -4.491 -5.031 14.221 1.00 0.00 H new ATOM 0 HA ALA B 46 -2.716 -6.668 12.450 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -4.533 -8.313 12.944 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -3.952 -7.579 14.457 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -5.483 -7.032 13.734 1.00 0.00 H new ATOM 1425 N PHE B 47 -5.280 -5.020 11.400 1.00 0.00 N ATOM 1426 CA PHE B 47 -6.023 -4.673 10.158 1.00 0.00 C ATOM 1427 C PHE B 47 -5.045 -4.476 8.997 1.00 0.00 C ATOM 1428 O PHE B 47 -5.308 -4.868 7.879 1.00 0.00 O ATOM 1429 CB PHE B 47 -6.742 -3.363 10.478 1.00 0.00 C ATOM 1430 CG PHE B 47 -7.857 -3.143 9.486 1.00 0.00 C ATOM 1431 CD1 PHE B 47 -8.847 -4.136 9.301 1.00 0.00 C ATOM 1432 CD2 PHE B 47 -7.914 -1.943 8.742 1.00 0.00 C ATOM 1433 CE1 PHE B 47 -9.890 -3.929 8.373 1.00 0.00 C ATOM 1434 CE2 PHE B 47 -8.959 -1.737 7.812 1.00 0.00 C ATOM 1435 CZ PHE B 47 -9.948 -2.730 7.629 1.00 0.00 C ATOM 0 H PHE B 47 -5.475 -4.422 12.203 1.00 0.00 H new ATOM 0 HA PHE B 47 -6.719 -5.458 9.861 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -7.144 -3.395 11.491 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -6.038 -2.531 10.440 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -8.805 -5.053 9.870 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -7.160 -1.183 8.884 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -10.645 -4.688 8.232 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -9.001 -0.821 7.242 1.00 0.00 H new ATOM 0 HZ PHE B 47 -10.748 -2.572 6.921 1.00 0.00 H new ATOM 1445 N LEU B 48 -3.916 -3.870 9.255 1.00 0.00 N ATOM 1446 CA LEU B 48 -2.918 -3.643 8.166 1.00 0.00 C ATOM 1447 C LEU B 48 -2.683 -4.928 7.365 1.00 0.00 C ATOM 1448 O LEU B 48 -2.783 -4.942 6.154 1.00 0.00 O ATOM 1449 CB LEU B 48 -1.636 -3.224 8.890 1.00 0.00 C ATOM 1450 CG LEU B 48 -1.581 -1.700 8.988 1.00 0.00 C ATOM 1451 CD1 LEU B 48 -1.697 -1.277 10.456 1.00 0.00 C ATOM 1452 CD2 LEU B 48 -0.252 -1.198 8.418 1.00 0.00 C ATOM 0 H LEU B 48 -3.641 -3.522 10.173 1.00 0.00 H new ATOM 0 HA LEU B 48 -3.257 -2.891 7.454 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -1.608 -3.664 9.887 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -0.764 -3.596 8.352 1.00 0.00 H new ATOM 0 HG LEU B 48 -2.406 -1.271 8.419 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -1.658 -0.190 10.526 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -2.643 -1.633 10.863 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -0.873 -1.707 11.025 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -0.213 -0.111 8.488 1.00 0.00 H new ATOM 0 HD22 LEU B 48 0.573 -1.628 8.986 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -0.168 -1.497 7.373 1.00 0.00 H new ATOM 1464 N ARG B 49 -2.373 -6.005 8.032 1.00 0.00 N ATOM 1465 CA ARG B 49 -2.132 -7.286 7.308 1.00 0.00 C ATOM 1466 C ARG B 49 -3.359 -7.666 6.477 1.00 0.00 C ATOM 1467 O ARG B 49 -3.261 -7.932 5.295 1.00 0.00 O ATOM 1468 CB ARG B 49 -1.884 -8.323 8.406 1.00 0.00 C ATOM 1469 CG ARG B 49 -1.609 -9.684 7.765 1.00 0.00 C ATOM 1470 CD ARG B 49 -1.715 -10.781 8.827 1.00 0.00 C ATOM 1471 NE ARG B 49 -1.687 -12.059 8.063 1.00 0.00 N ATOM 1472 CZ ARG B 49 -1.984 -13.181 8.657 1.00 0.00 C ATOM 1473 NH1 ARG B 49 -1.627 -13.378 9.897 1.00 0.00 N ATOM 1474 NH2 ARG B 49 -2.637 -14.110 8.012 1.00 0.00 N ATOM 0 H ARG B 49 -2.276 -6.054 9.046 1.00 0.00 H new ATOM 0 HA ARG B 49 -1.292 -7.216 6.617 1.00 0.00 H new ATOM 0 HB2 ARG B 49 -1.037 -8.021 9.022 1.00 0.00 H new ATOM 0 HB3 ARG B 49 -2.751 -8.387 9.064 1.00 0.00 H new ATOM 0 HG2 ARG B 49 -2.323 -9.870 6.962 1.00 0.00 H new ATOM 0 HG3 ARG B 49 -0.616 -9.692 7.317 1.00 0.00 H new ATOM 0 HD2 ARG B 49 -0.888 -10.726 9.535 1.00 0.00 H new ATOM 0 HD3 ARG B 49 -2.635 -10.685 9.403 1.00 0.00 H new ATOM 0 HE ARG B 49 -1.435 -12.057 7.075 1.00 0.00 H new ATOM 0 HH11 ARG B 49 -1.116 -12.654 10.402 1.00 0.00 H new ATOM 0 HH12 ARG B 49 -1.860 -14.256 10.361 1.00 0.00 H new ATOM 0 HH21 ARG B 49 -2.915 -13.958 7.042 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -2.869 -14.987 8.478 1.00 0.00 H new ATOM 1488 N GLU B 50 -4.514 -7.698 7.083 1.00 0.00 N ATOM 1489 CA GLU B 50 -5.746 -8.066 6.324 1.00 0.00 C ATOM 1490 C GLU B 50 -6.289 -6.863 5.542 1.00 0.00 C ATOM 1491 O GLU B 50 -7.345 -6.931 4.946 1.00 0.00 O ATOM 1492 CB GLU B 50 -6.749 -8.507 7.391 1.00 0.00 C ATOM 1493 CG GLU B 50 -6.525 -9.982 7.727 1.00 0.00 C ATOM 1494 CD GLU B 50 -7.049 -10.271 9.134 1.00 0.00 C ATOM 1495 OE1 GLU B 50 -8.229 -10.558 9.257 1.00 0.00 O ATOM 1496 OE2 GLU B 50 -6.262 -10.201 10.063 1.00 0.00 O ATOM 0 H GLU B 50 -4.659 -7.486 8.070 1.00 0.00 H new ATOM 0 HA GLU B 50 -5.551 -8.848 5.590 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -6.633 -7.898 8.287 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -7.767 -8.356 7.032 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -7.037 -10.613 7.000 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -5.464 -10.222 7.666 1.00 0.00 H new ATOM 1503 N TYR B 51 -5.582 -5.763 5.534 1.00 0.00 N ATOM 1504 CA TYR B 51 -6.075 -4.571 4.787 1.00 0.00 C ATOM 1505 C TYR B 51 -5.620 -4.640 3.325 1.00 0.00 C ATOM 1506 O TYR B 51 -6.425 -4.718 2.418 1.00 0.00 O ATOM 1507 CB TYR B 51 -5.447 -3.369 5.497 1.00 0.00 C ATOM 1508 CG TYR B 51 -5.746 -2.105 4.726 1.00 0.00 C ATOM 1509 CD1 TYR B 51 -6.932 -1.384 4.984 1.00 0.00 C ATOM 1510 CD2 TYR B 51 -4.840 -1.648 3.742 1.00 0.00 C ATOM 1511 CE1 TYR B 51 -7.213 -0.203 4.260 1.00 0.00 C ATOM 1512 CE2 TYR B 51 -5.120 -0.468 3.017 1.00 0.00 C ATOM 1513 CZ TYR B 51 -6.308 0.254 3.277 1.00 0.00 C ATOM 1514 OH TYR B 51 -6.584 1.406 2.568 1.00 0.00 O ATOM 0 H TYR B 51 -4.689 -5.640 6.011 1.00 0.00 H new ATOM 0 HA TYR B 51 -7.163 -4.509 4.775 1.00 0.00 H new ATOM 0 HB2 TYR B 51 -5.839 -3.289 6.511 1.00 0.00 H new ATOM 0 HB3 TYR B 51 -4.369 -3.508 5.582 1.00 0.00 H new ATOM 0 HD1 TYR B 51 -7.625 -1.735 5.735 1.00 0.00 H new ATOM 0 HD2 TYR B 51 -3.934 -2.201 3.544 1.00 0.00 H new ATOM 0 HE1 TYR B 51 -8.119 0.350 4.459 1.00 0.00 H new ATOM 0 HE2 TYR B 51 -4.428 -0.118 2.265 1.00 0.00 H new ATOM 0 HH TYR B 51 -5.749 1.887 2.388 1.00 0.00 H new ATOM 1524 N PHE B 52 -4.338 -4.606 3.089 1.00 0.00 N ATOM 1525 CA PHE B 52 -3.839 -4.664 1.685 1.00 0.00 C ATOM 1526 C PHE B 52 -3.765 -6.116 1.201 1.00 0.00 C ATOM 1527 O PHE B 52 -3.868 -6.391 0.023 1.00 0.00 O ATOM 1528 CB PHE B 52 -2.443 -4.043 1.731 1.00 0.00 C ATOM 1529 CG PHE B 52 -2.280 -3.084 0.576 1.00 0.00 C ATOM 1530 CD1 PHE B 52 -1.911 -3.571 -0.698 1.00 0.00 C ATOM 1531 CD2 PHE B 52 -2.496 -1.701 0.768 1.00 0.00 C ATOM 1532 CE1 PHE B 52 -1.758 -2.676 -1.779 1.00 0.00 C ATOM 1533 CE2 PHE B 52 -2.342 -0.806 -0.314 1.00 0.00 C ATOM 1534 CZ PHE B 52 -1.973 -1.293 -1.588 1.00 0.00 C ATOM 0 H PHE B 52 -3.615 -4.541 3.805 1.00 0.00 H new ATOM 0 HA PHE B 52 -4.498 -4.136 0.996 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -2.297 -3.519 2.676 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -1.684 -4.824 1.679 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -1.746 -4.628 -0.845 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -2.779 -1.328 1.741 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -1.476 -3.049 -2.753 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -2.506 0.251 -0.167 1.00 0.00 H new ATOM 0 HZ PHE B 52 -1.855 -0.608 -2.415 1.00 0.00 H new ATOM 1544 N GLU B 53 -3.590 -7.046 2.100 1.00 0.00 N ATOM 1545 CA GLU B 53 -3.512 -8.476 1.681 1.00 0.00 C ATOM 1546 C GLU B 53 -4.740 -8.848 0.845 1.00 0.00 C ATOM 1547 O GLU B 53 -4.636 -9.522 -0.161 1.00 0.00 O ATOM 1548 CB GLU B 53 -3.486 -9.273 2.985 1.00 0.00 C ATOM 1549 CG GLU B 53 -3.507 -10.770 2.670 1.00 0.00 C ATOM 1550 CD GLU B 53 -3.289 -11.567 3.958 1.00 0.00 C ATOM 1551 OE1 GLU B 53 -4.267 -11.837 4.636 1.00 0.00 O ATOM 1552 OE2 GLU B 53 -2.149 -11.894 4.243 1.00 0.00 O ATOM 0 H GLU B 53 -3.498 -6.880 3.102 1.00 0.00 H new ATOM 0 HA GLU B 53 -2.636 -8.679 1.065 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -2.593 -9.024 3.558 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -4.345 -9.009 3.602 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -4.460 -11.044 2.218 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -2.729 -11.011 1.945 1.00 0.00 H new ATOM 1559 N LYS B 54 -5.902 -8.414 1.251 1.00 0.00 N ATOM 1560 CA LYS B 54 -7.133 -8.744 0.476 1.00 0.00 C ATOM 1561 C LYS B 54 -7.356 -7.705 -0.625 1.00 0.00 C ATOM 1562 O LYS B 54 -7.802 -8.021 -1.711 1.00 0.00 O ATOM 1563 CB LYS B 54 -8.270 -8.699 1.498 1.00 0.00 C ATOM 1564 CG LYS B 54 -8.941 -10.070 1.577 1.00 0.00 C ATOM 1565 CD LYS B 54 -9.465 -10.302 2.995 1.00 0.00 C ATOM 1566 CE LYS B 54 -10.499 -9.227 3.339 1.00 0.00 C ATOM 1567 NZ LYS B 54 -11.344 -9.835 4.405 1.00 0.00 N ATOM 0 H LYS B 54 -6.053 -7.846 2.085 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.066 -9.716 -0.013 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -7.882 -8.415 2.476 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -9.000 -7.941 1.212 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -9.761 -10.127 0.861 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -8.229 -10.851 1.309 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -9.915 -11.292 3.071 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -8.641 -10.271 3.708 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -10.018 -8.314 3.689 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -11.095 -8.959 2.467 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -12.078 -9.158 4.695 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -11.794 -10.699 4.041 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -10.750 -10.073 5.225 1.00 0.00 H new ATOM 1581 N LEU B 55 -7.050 -6.464 -0.355 1.00 0.00 N ATOM 1582 CA LEU B 55 -7.244 -5.405 -1.388 1.00 0.00 C ATOM 1583 C LEU B 55 -6.299 -5.634 -2.574 1.00 0.00 C ATOM 1584 O LEU B 55 -6.491 -5.088 -3.642 1.00 0.00 O ATOM 1585 CB LEU B 55 -6.904 -4.093 -0.679 1.00 0.00 C ATOM 1586 CG LEU B 55 -8.197 -3.374 -0.286 1.00 0.00 C ATOM 1587 CD1 LEU B 55 -8.853 -4.103 0.888 1.00 0.00 C ATOM 1588 CD2 LEU B 55 -7.876 -1.935 0.125 1.00 0.00 C ATOM 0 H LEU B 55 -6.674 -6.138 0.535 1.00 0.00 H new ATOM 0 HA LEU B 55 -8.258 -5.404 -1.788 1.00 0.00 H new ATOM 0 HB2 LEU B 55 -6.302 -4.292 0.208 1.00 0.00 H new ATOM 0 HB3 LEU B 55 -6.307 -3.458 -1.333 1.00 0.00 H new ATOM 0 HG LEU B 55 -8.879 -3.367 -1.136 1.00 0.00 H new ATOM 0 HD11 LEU B 55 -9.773 -3.590 1.167 1.00 0.00 H new ATOM 0 HD12 LEU B 55 -9.083 -5.128 0.597 1.00 0.00 H new ATOM 0 HD13 LEU B 55 -8.171 -4.111 1.738 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -8.796 -1.423 0.405 1.00 0.00 H new ATOM 0 HD22 LEU B 55 -7.193 -1.943 0.974 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -7.410 -1.413 -0.711 1.00 0.00 H new ATOM 1600 N GLU B 56 -5.283 -6.435 -2.396 1.00 0.00 N ATOM 1601 CA GLU B 56 -4.330 -6.691 -3.517 1.00 0.00 C ATOM 1602 C GLU B 56 -5.089 -7.120 -4.776 1.00 0.00 C ATOM 1603 O GLU B 56 -4.744 -6.747 -5.879 1.00 0.00 O ATOM 1604 CB GLU B 56 -3.428 -7.823 -3.024 1.00 0.00 C ATOM 1605 CG GLU B 56 -1.965 -7.466 -3.291 1.00 0.00 C ATOM 1606 CD GLU B 56 -1.062 -8.583 -2.767 1.00 0.00 C ATOM 1607 OE1 GLU B 56 -1.080 -9.656 -3.349 1.00 0.00 O ATOM 1608 OE2 GLU B 56 -0.367 -8.349 -1.793 1.00 0.00 O ATOM 0 H GLU B 56 -5.071 -6.923 -1.525 1.00 0.00 H new ATOM 0 HA GLU B 56 -3.759 -5.800 -3.780 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -3.584 -7.988 -1.958 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -3.684 -8.753 -3.531 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -1.804 -7.325 -4.360 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -1.715 -6.524 -2.804 1.00 0.00 H new ATOM 1615 N LYS B 57 -6.120 -7.901 -4.618 1.00 0.00 N ATOM 1616 CA LYS B 57 -6.900 -8.355 -5.805 1.00 0.00 C ATOM 1617 C LYS B 57 -7.972 -7.321 -6.159 1.00 0.00 C ATOM 1618 O LYS B 57 -9.135 -7.640 -6.299 1.00 0.00 O ATOM 1619 CB LYS B 57 -7.548 -9.673 -5.374 1.00 0.00 C ATOM 1620 CG LYS B 57 -7.708 -10.585 -6.590 1.00 0.00 C ATOM 1621 CD LYS B 57 -8.959 -11.448 -6.419 1.00 0.00 C ATOM 1622 CE LYS B 57 -9.124 -12.358 -7.639 1.00 0.00 C ATOM 1623 NZ LYS B 57 -8.483 -13.644 -7.250 1.00 0.00 N ATOM 0 H LYS B 57 -6.457 -8.245 -3.719 1.00 0.00 H new ATOM 0 HA LYS B 57 -6.273 -8.479 -6.688 1.00 0.00 H new ATOM 0 HB2 LYS B 57 -6.934 -10.162 -4.618 1.00 0.00 H new ATOM 0 HB3 LYS B 57 -8.520 -9.481 -4.920 1.00 0.00 H new ATOM 0 HG2 LYS B 57 -7.787 -9.987 -7.498 1.00 0.00 H new ATOM 0 HG3 LYS B 57 -6.828 -11.219 -6.701 1.00 0.00 H new ATOM 0 HD2 LYS B 57 -8.878 -12.048 -5.513 1.00 0.00 H new ATOM 0 HD3 LYS B 57 -9.838 -10.814 -6.304 1.00 0.00 H new ATOM 0 HE2 LYS B 57 -10.176 -12.500 -7.886 1.00 0.00 H new ATOM 0 HE3 LYS B 57 -8.645 -11.929 -8.519 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 -8.556 -14.320 -8.037 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 -7.481 -13.479 -7.027 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 -8.964 -14.033 -6.414 1.00 0.00 H new ATOM 1637 N GLU B 58 -7.587 -6.081 -6.305 1.00 0.00 N ATOM 1638 CA GLU B 58 -8.585 -5.028 -6.649 1.00 0.00 C ATOM 1639 C GLU B 58 -8.751 -4.934 -8.168 1.00 0.00 C ATOM 1640 O GLU B 58 -9.841 -4.736 -8.670 1.00 0.00 O ATOM 1641 CB GLU B 58 -7.996 -3.730 -6.094 1.00 0.00 C ATOM 1642 CG GLU B 58 -9.100 -2.921 -5.410 1.00 0.00 C ATOM 1643 CD GLU B 58 -9.680 -1.909 -6.401 1.00 0.00 C ATOM 1644 OE1 GLU B 58 -8.920 -1.386 -7.198 1.00 0.00 O ATOM 1645 OE2 GLU B 58 -10.877 -1.674 -6.344 1.00 0.00 O ATOM 0 H GLU B 58 -6.627 -5.753 -6.201 1.00 0.00 H new ATOM 0 HA GLU B 58 -9.570 -5.240 -6.234 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -7.201 -3.954 -5.383 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -7.549 -3.147 -6.899 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -9.885 -3.587 -5.053 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -8.699 -2.404 -4.538 1.00 0.00 H new