USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 391 hydrogens (7 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 Single : A 1 GLY N :NH3+ -173:sc= -0.053 (180deg=-0.131) USER MOD Single : A 5 GLN : amide:sc=-0.00871 X(o=-0.0087,f=-0.13) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -68:sc= 1.28 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.912 K(o=0.91,f=-0.33) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0373 K(o=-0.037,f=-1.2) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.57) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HD1:sc= 0 K(o=0,f=-1.5) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HE2:sc= 0.99 K(o=0.99,f=-3.1!) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 165:sc= -0.0723 (180deg=-0.321) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.736 -1.889 -1.603 1.00 25.00 N ATOM 2 CA GLY A 1 3.046 -0.537 -1.541 1.00 25.00 C ATOM 3 C GLY A 1 2.170 -0.209 -2.754 1.00 25.00 C ATOM 4 O GLY A 1 1.177 0.512 -2.693 1.00 25.00 O ATOM 0 H1 GLY A 1 4.209 -2.079 -0.697 1.00 25.00 H new ATOM 0 H2 GLY A 1 3.031 -2.631 -1.788 1.00 25.00 H new ATOM 0 H3 GLY A 1 4.441 -1.884 -2.367 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.429 -0.500 -0.644 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.805 0.239 -1.438 1.00 25.00 H new ATOM 9 N ILE A 2 2.516 -0.863 -3.852 1.00 25.00 N ATOM 10 CA ILE A 2 1.793 -0.704 -5.152 1.00 25.00 C ATOM 11 C ILE A 2 0.341 -1.186 -4.960 1.00 25.00 C ATOM 12 O ILE A 2 -0.592 -0.548 -5.428 1.00 25.00 O ATOM 13 CB ILE A 2 2.458 -1.483 -6.341 1.00 25.00 C ATOM 14 CG1 ILE A 2 3.977 -1.435 -6.192 1.00 25.00 C ATOM 15 CG2 ILE A 2 2.060 -0.827 -7.721 1.00 25.00 C ATOM 16 CD1 ILE A 2 4.782 -2.130 -7.347 1.00 25.00 C ATOM 0 H ILE A 2 3.296 -1.519 -3.891 1.00 25.00 H new ATOM 0 HA ILE A 2 1.833 0.351 -5.424 1.00 25.00 H new ATOM 0 HB ILE A 2 2.109 -2.515 -6.320 1.00 25.00 H new ATOM 0 HG12 ILE A 2 4.288 -0.392 -6.130 1.00 25.00 H new ATOM 0 HG13 ILE A 2 4.249 -1.905 -5.247 1.00 25.00 H new ATOM 0 HG21 ILE A 2 2.529 -1.379 -8.535 1.00 25.00 H new ATOM 0 HG22 ILE A 2 0.977 -0.857 -7.839 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.399 0.209 -7.743 1.00 25.00 H new ATOM 0 HD11 ILE A 2 5.850 -2.042 -7.150 1.00 25.00 H new ATOM 0 HD12 ILE A 2 4.508 -3.184 -7.399 1.00 25.00 H new ATOM 0 HD13 ILE A 2 4.547 -1.647 -8.296 1.00 25.00 H new ATOM 28 N VAL A 3 0.153 -2.286 -4.243 1.00 25.00 N ATOM 29 CA VAL A 3 -1.202 -2.810 -4.021 1.00 25.00 C ATOM 30 C VAL A 3 -2.030 -1.911 -3.106 1.00 25.00 C ATOM 31 O VAL A 3 -3.244 -1.701 -3.344 1.00 25.00 O ATOM 32 CB VAL A 3 -1.119 -4.290 -3.488 1.00 25.00 C ATOM 33 CG1 VAL A 3 -0.612 -4.305 -2.024 1.00 25.00 C ATOM 34 CG2 VAL A 3 -2.412 -5.025 -3.632 1.00 25.00 C ATOM 0 H VAL A 3 0.900 -2.829 -3.810 1.00 25.00 H new ATOM 0 HA VAL A 3 -1.727 -2.817 -4.976 1.00 25.00 H new ATOM 0 HB VAL A 3 -0.400 -4.823 -4.109 1.00 25.00 H new ATOM 0 HG11 VAL A 3 -0.559 -5.334 -1.668 1.00 25.00 H new ATOM 0 HG12 VAL A 3 0.379 -3.854 -1.978 1.00 25.00 H new ATOM 0 HG13 VAL A 3 -1.299 -3.738 -1.395 1.00 25.00 H new ATOM 0 HG21 VAL A 3 -2.299 -6.039 -3.249 1.00 25.00 H new ATOM 0 HG22 VAL A 3 -3.189 -4.509 -3.067 1.00 25.00 H new ATOM 0 HG23 VAL A 3 -2.693 -5.064 -4.684 1.00 25.00 H new ATOM 44 N GLU A 4 -1.342 -1.259 -2.144 1.00 25.00 N ATOM 45 CA GLU A 4 -2.027 -0.392 -1.205 1.00 25.00 C ATOM 46 C GLU A 4 -2.565 0.786 -1.986 1.00 25.00 C ATOM 47 O GLU A 4 -3.732 1.146 -1.846 1.00 25.00 O ATOM 48 CB GLU A 4 -1.064 0.085 -0.090 1.00 25.00 C ATOM 49 CG GLU A 4 -0.519 -0.970 0.839 1.00 25.00 C ATOM 50 CD GLU A 4 0.583 -0.445 1.702 1.00 25.00 C ATOM 51 OE1 GLU A 4 1.745 -0.479 1.367 1.00 25.00 O ATOM 52 OE2 GLU A 4 0.216 -0.082 2.869 1.00 25.00 O ATOM 0 H GLU A 4 -0.333 -1.324 -2.011 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.839 -0.930 -0.717 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -0.221 0.589 -0.563 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.584 0.830 0.511 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -1.324 -1.348 1.470 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -0.150 -1.812 0.254 1.00 25.00 H new ATOM 60 N GLN A 5 -1.716 1.356 -2.867 1.00 25.00 N ATOM 61 CA GLN A 5 -2.114 2.510 -3.707 1.00 25.00 C ATOM 62 C GLN A 5 -3.185 2.187 -4.737 1.00 25.00 C ATOM 63 O GLN A 5 -4.154 2.947 -4.910 1.00 25.00 O ATOM 64 CB GLN A 5 -0.884 3.003 -4.478 1.00 25.00 C ATOM 65 CG GLN A 5 0.234 3.658 -3.646 1.00 25.00 C ATOM 66 CD GLN A 5 -0.213 4.888 -2.897 1.00 25.00 C ATOM 67 OE1 GLN A 5 -0.963 5.673 -3.396 1.00 25.00 O ATOM 68 NE2 GLN A 5 0.143 4.969 -1.641 1.00 25.00 N ATOM 0 H GLN A 5 -0.758 1.040 -3.016 1.00 25.00 H new ATOM 0 HA GLN A 5 -2.522 3.255 -3.024 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -0.457 2.156 -5.016 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -1.217 3.721 -5.227 1.00 25.00 H new ATOM 0 HG2 GLN A 5 0.620 2.929 -2.933 1.00 25.00 H new ATOM 0 HG3 GLN A 5 1.059 3.925 -4.307 1.00 25.00 H new ATOM 0 HE21 GLN A 5 0.785 4.281 -1.248 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -0.222 5.720 -1.055 1.00 25.00 H new ATOM 77 N CYS A 6 -2.992 1.067 -5.437 1.00 25.00 N ATOM 78 CA CYS A 6 -3.874 0.725 -6.528 1.00 25.00 C ATOM 79 C CYS A 6 -5.321 0.329 -6.111 1.00 25.00 C ATOM 80 O CYS A 6 -6.251 0.461 -6.889 1.00 25.00 O ATOM 81 CB CYS A 6 -3.246 -0.400 -7.354 1.00 25.00 C ATOM 82 SG CYS A 6 -3.515 -0.162 -9.101 1.00 25.00 S ATOM 0 H CYS A 6 -2.242 0.398 -5.263 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.985 1.637 -7.114 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -2.176 -0.445 -7.153 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -3.669 -1.357 -7.047 1.00 25.00 H new ATOM 87 N CYS A 7 -5.487 -0.231 -4.922 1.00 25.00 N ATOM 88 CA CYS A 7 -6.825 -0.622 -4.422 1.00 25.00 C ATOM 89 C CYS A 7 -7.660 0.631 -4.043 1.00 25.00 C ATOM 90 O CYS A 7 -8.873 0.478 -3.803 1.00 25.00 O ATOM 91 CB CYS A 7 -6.709 -1.568 -3.251 1.00 25.00 C ATOM 92 SG CYS A 7 -6.909 -3.319 -3.670 1.00 25.00 S ATOM 0 H CYS A 7 -4.723 -0.430 -4.276 1.00 25.00 H new ATOM 0 HA CYS A 7 -7.346 -1.145 -5.224 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -5.734 -1.429 -2.784 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -7.459 -1.298 -2.508 1.00 25.00 H new ATOM 97 N THR A 8 -7.030 1.820 -3.946 1.00 25.00 N ATOM 98 CA THR A 8 -7.738 3.039 -3.474 1.00 25.00 C ATOM 99 C THR A 8 -7.643 4.145 -4.503 1.00 25.00 C ATOM 100 O THR A 8 -8.511 4.999 -4.552 1.00 25.00 O ATOM 101 CB THR A 8 -7.202 3.494 -2.081 1.00 25.00 C ATOM 102 OG1 THR A 8 -8.052 4.534 -1.564 1.00 25.00 O ATOM 103 CG2 THR A 8 -5.769 4.039 -2.096 1.00 25.00 C ATOM 0 H THR A 8 -6.049 1.967 -4.183 1.00 25.00 H new ATOM 0 HA THR A 8 -8.793 2.797 -3.349 1.00 25.00 H new ATOM 0 HB THR A 8 -7.203 2.597 -1.461 1.00 25.00 H new ATOM 0 HG1 THR A 8 -7.720 4.822 -0.688 1.00 25.00 H new ATOM 0 HG21 THR A 8 -5.480 4.331 -1.086 1.00 25.00 H new ATOM 0 HG22 THR A 8 -5.090 3.267 -2.459 1.00 25.00 H new ATOM 0 HG23 THR A 8 -5.717 4.907 -2.753 1.00 25.00 H new ATOM 111 N SER A 9 -6.648 4.083 -5.378 1.00 25.00 N ATOM 112 CA SER A 9 -6.518 5.104 -6.418 1.00 25.00 C ATOM 113 C SER A 9 -6.536 4.440 -7.793 1.00 25.00 C ATOM 114 O SER A 9 -6.393 3.222 -7.913 1.00 25.00 O ATOM 115 CB SER A 9 -5.268 5.924 -6.182 1.00 25.00 C ATOM 116 OG SER A 9 -4.091 5.147 -6.425 1.00 25.00 O ATOM 0 H SER A 9 -5.933 3.356 -5.393 1.00 25.00 H new ATOM 0 HA SER A 9 -7.363 5.792 -6.379 1.00 25.00 H new ATOM 0 HB2 SER A 9 -5.273 6.797 -6.835 1.00 25.00 H new ATOM 0 HB3 SER A 9 -5.259 6.293 -5.156 1.00 25.00 H new ATOM 0 HG SER A 9 -4.014 4.448 -5.742 1.00 25.00 H new ATOM 122 N ILE A 10 -6.718 5.224 -8.863 1.00 25.00 N ATOM 123 CA ILE A 10 -6.610 4.701 -10.204 1.00 25.00 C ATOM 124 C ILE A 10 -5.149 4.603 -10.545 1.00 25.00 C ATOM 125 O ILE A 10 -4.424 5.577 -10.400 1.00 25.00 O ATOM 126 CB ILE A 10 -7.391 5.623 -11.186 1.00 25.00 C ATOM 127 CG1 ILE A 10 -8.942 5.455 -10.978 1.00 25.00 C ATOM 128 CG2 ILE A 10 -6.976 5.326 -12.677 1.00 25.00 C ATOM 129 CD1 ILE A 10 -9.648 6.524 -10.113 1.00 25.00 C ATOM 0 H ILE A 10 -6.940 6.218 -8.812 1.00 25.00 H new ATOM 0 HA ILE A 10 -7.052 3.708 -10.284 1.00 25.00 H new ATOM 0 HB ILE A 10 -7.133 6.660 -10.972 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -9.417 5.443 -11.959 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -9.121 4.479 -10.526 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -7.533 5.981 -13.347 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -5.908 5.505 -12.800 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -7.200 4.286 -12.917 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -10.712 6.295 -10.047 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -9.215 6.527 -9.113 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -9.516 7.506 -10.568 1.00 25.00 H new ATOM 141 N CYS A 11 -4.758 3.453 -11.064 1.00 25.00 N ATOM 142 CA CYS A 11 -3.408 3.227 -11.619 1.00 25.00 C ATOM 143 C CYS A 11 -3.465 3.432 -13.126 1.00 25.00 C ATOM 144 O CYS A 11 -4.502 3.154 -13.756 1.00 25.00 O ATOM 145 CB CYS A 11 -2.980 1.828 -11.292 1.00 25.00 C ATOM 146 SG CYS A 11 -2.731 1.627 -9.511 1.00 25.00 S ATOM 0 H CYS A 11 -5.363 2.634 -11.119 1.00 25.00 H new ATOM 0 HA CYS A 11 -2.688 3.925 -11.191 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -3.735 1.122 -11.639 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -2.056 1.593 -11.821 1.00 25.00 H new ATOM 151 N SER A 12 -2.359 3.829 -13.729 1.00 25.00 N ATOM 152 CA SER A 12 -2.357 4.055 -15.168 1.00 25.00 C ATOM 153 C SER A 12 -1.051 3.519 -15.644 1.00 25.00 C ATOM 154 O SER A 12 -0.099 3.431 -14.859 1.00 25.00 O ATOM 155 CB SER A 12 -2.470 5.553 -15.487 1.00 25.00 C ATOM 156 OG SER A 12 -3.726 6.022 -15.067 1.00 25.00 O ATOM 0 H SER A 12 -1.469 3.999 -13.261 1.00 25.00 H new ATOM 0 HA SER A 12 -3.203 3.569 -15.654 1.00 25.00 H new ATOM 0 HB2 SER A 12 -1.676 6.105 -14.984 1.00 25.00 H new ATOM 0 HB3 SER A 12 -2.346 5.719 -16.557 1.00 25.00 H new ATOM 0 HG SER A 12 -3.802 6.978 -15.267 1.00 25.00 H new ATOM 162 N LEU A 13 -0.941 3.220 -16.944 1.00 25.00 N ATOM 163 CA LEU A 13 0.339 2.718 -17.421 1.00 25.00 C ATOM 164 C LEU A 13 1.455 3.701 -17.137 1.00 25.00 C ATOM 165 O LEU A 13 2.620 3.226 -16.712 1.00 25.00 O ATOM 166 CB LEU A 13 0.279 2.420 -18.859 1.00 25.00 C ATOM 167 CG LEU A 13 -0.906 1.438 -19.179 1.00 25.00 C ATOM 168 CD1 LEU A 13 -0.984 1.285 -20.714 1.00 25.00 C ATOM 169 CD2 LEU A 13 -0.674 0.042 -18.561 1.00 25.00 C ATOM 0 H LEU A 13 -1.678 3.311 -17.643 1.00 25.00 H new ATOM 0 HA LEU A 13 0.553 1.795 -16.881 1.00 25.00 H new ATOM 0 HB2 LEU A 13 0.152 3.345 -19.421 1.00 25.00 H new ATOM 0 HB3 LEU A 13 1.221 1.977 -19.182 1.00 25.00 H new ATOM 0 HG LEU A 13 -1.825 1.846 -18.759 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -1.798 0.608 -20.971 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -1.165 2.259 -21.168 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -0.044 0.880 -21.088 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -1.515 -0.608 -18.804 1.00 25.00 H new ATOM 0 HD22 LEU A 13 0.244 -0.386 -18.964 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -0.587 0.133 -17.478 1.00 25.00 H new ATOM 181 N TYR A 14 1.261 5.049 -17.141 1.00 25.00 N ATOM 182 CA TYR A 14 2.305 6.032 -16.838 1.00 25.00 C ATOM 183 C TYR A 14 2.867 5.863 -15.423 1.00 25.00 C ATOM 184 O TYR A 14 4.067 5.839 -15.250 1.00 25.00 O ATOM 185 CB TYR A 14 1.865 7.480 -17.094 1.00 25.00 C ATOM 186 CG TYR A 14 3.059 8.444 -16.925 1.00 25.00 C ATOM 187 CD1 TYR A 14 3.972 8.562 -17.914 1.00 25.00 C ATOM 188 CD2 TYR A 14 3.174 9.128 -15.780 1.00 25.00 C ATOM 189 CE1 TYR A 14 5.158 9.507 -17.807 1.00 25.00 C ATOM 190 CE2 TYR A 14 4.161 10.020 -15.586 1.00 25.00 C ATOM 191 CZ TYR A 14 5.117 10.283 -16.506 1.00 25.00 C ATOM 192 OH TYR A 14 6.026 11.194 -16.200 1.00 25.00 O ATOM 0 H TYR A 14 0.360 5.474 -17.359 1.00 25.00 H new ATOM 0 HA TYR A 14 3.112 5.825 -17.541 1.00 25.00 H new ATOM 0 HB2 TYR A 14 1.457 7.570 -18.101 1.00 25.00 H new ATOM 0 HB3 TYR A 14 1.069 7.753 -16.401 1.00 25.00 H new ATOM 0 HD1 TYR A 14 3.856 7.967 -18.808 1.00 25.00 H new ATOM 0 HD2 TYR A 14 2.455 8.959 -14.992 1.00 25.00 H new ATOM 0 HE1 TYR A 14 5.927 9.611 -18.558 1.00 25.00 H new ATOM 0 HE2 TYR A 14 4.192 10.554 -14.648 1.00 25.00 H new ATOM 0 HH TYR A 14 5.821 11.579 -15.322 1.00 25.00 H new ATOM 202 N GLN A 15 1.946 5.669 -14.425 1.00 25.00 N ATOM 203 CA GLN A 15 2.340 5.373 -13.059 1.00 25.00 C ATOM 204 C GLN A 15 3.092 4.099 -12.948 1.00 25.00 C ATOM 205 O GLN A 15 4.116 4.014 -12.282 1.00 25.00 O ATOM 206 CB GLN A 15 1.098 5.217 -12.147 1.00 25.00 C ATOM 207 CG GLN A 15 0.288 6.502 -11.955 1.00 25.00 C ATOM 208 CD GLN A 15 -0.930 6.249 -11.059 1.00 25.00 C ATOM 209 OE1 GLN A 15 -0.860 5.546 -10.090 1.00 25.00 O ATOM 210 NE2 GLN A 15 -2.054 6.745 -11.449 1.00 25.00 N ATOM 0 H GLN A 15 0.937 5.718 -14.568 1.00 25.00 H new ATOM 0 HA GLN A 15 2.967 6.210 -12.752 1.00 25.00 H new ATOM 0 HB2 GLN A 15 0.447 4.451 -12.569 1.00 25.00 H new ATOM 0 HB3 GLN A 15 1.422 4.857 -11.171 1.00 25.00 H new ATOM 0 HG2 GLN A 15 0.919 7.272 -11.510 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -0.040 6.879 -12.924 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -2.089 7.340 -12.276 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -2.908 6.542 -10.930 1.00 25.00 H new ATOM 219 N LEU A 16 2.552 3.068 -13.623 1.00 25.00 N ATOM 220 CA LEU A 16 3.173 1.777 -13.556 1.00 25.00 C ATOM 221 C LEU A 16 4.613 1.738 -14.073 1.00 25.00 C ATOM 222 O LEU A 16 5.430 0.979 -13.544 1.00 25.00 O ATOM 223 CB LEU A 16 2.334 0.723 -14.312 1.00 25.00 C ATOM 224 CG LEU A 16 0.971 0.336 -13.660 1.00 25.00 C ATOM 225 CD1 LEU A 16 0.324 -0.722 -14.516 1.00 25.00 C ATOM 226 CD2 LEU A 16 1.153 -0.165 -12.233 1.00 25.00 C ATOM 0 H LEU A 16 1.712 3.121 -14.199 1.00 25.00 H new ATOM 0 HA LEU A 16 3.216 1.543 -12.492 1.00 25.00 H new ATOM 0 HB2 LEU A 16 2.140 1.096 -15.318 1.00 25.00 H new ATOM 0 HB3 LEU A 16 2.933 -0.181 -14.417 1.00 25.00 H new ATOM 0 HG LEU A 16 0.335 1.219 -13.604 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -0.632 -1.009 -14.079 1.00 25.00 H new ATOM 0 HD12 LEU A 16 0.161 -0.329 -15.519 1.00 25.00 H new ATOM 0 HD13 LEU A 16 0.975 -1.595 -14.570 1.00 25.00 H new ATOM 0 HD21 LEU A 16 0.182 -0.425 -11.812 1.00 25.00 H new ATOM 0 HD22 LEU A 16 1.795 -1.046 -12.236 1.00 25.00 H new ATOM 0 HD23 LEU A 16 1.613 0.617 -11.629 1.00 25.00 H new ATOM 238 N GLU A 17 4.929 2.601 -15.019 1.00 25.00 N ATOM 239 CA GLU A 17 6.325 2.741 -15.459 1.00 25.00 C ATOM 240 C GLU A 17 7.298 3.120 -14.360 1.00 25.00 C ATOM 241 O GLU A 17 8.458 2.734 -14.386 1.00 25.00 O ATOM 242 CB GLU A 17 6.437 3.780 -16.573 1.00 25.00 C ATOM 243 CG GLU A 17 5.905 3.346 -17.941 1.00 25.00 C ATOM 244 CD GLU A 17 5.874 4.479 -18.934 1.00 25.00 C ATOM 245 OE1 GLU A 17 5.164 5.490 -18.785 1.00 25.00 O ATOM 246 OE2 GLU A 17 6.648 4.333 -19.970 1.00 25.00 O ATOM 0 H GLU A 17 4.263 3.209 -15.496 1.00 25.00 H new ATOM 0 HA GLU A 17 6.604 1.747 -15.810 1.00 25.00 H new ATOM 0 HB2 GLU A 17 5.901 4.677 -16.263 1.00 25.00 H new ATOM 0 HB3 GLU A 17 7.486 4.057 -16.683 1.00 25.00 H new ATOM 0 HG2 GLU A 17 6.529 2.542 -18.331 1.00 25.00 H new ATOM 0 HG3 GLU A 17 4.900 2.942 -17.825 1.00 25.00 H new ATOM 254 N ASN A 18 6.839 3.841 -13.331 1.00 25.00 N ATOM 255 CA ASN A 18 7.713 4.163 -12.203 1.00 25.00 C ATOM 256 C ASN A 18 8.095 2.941 -11.363 1.00 25.00 C ATOM 257 O ASN A 18 9.069 2.958 -10.634 1.00 25.00 O ATOM 258 CB ASN A 18 7.053 5.177 -11.295 1.00 25.00 C ATOM 259 CG ASN A 18 6.735 6.449 -12.005 1.00 25.00 C ATOM 260 OD1 ASN A 18 7.396 6.893 -12.911 1.00 25.00 O ATOM 261 ND2 ASN A 18 5.670 7.084 -11.575 1.00 25.00 N ATOM 0 H ASN A 18 5.889 4.205 -13.257 1.00 25.00 H new ATOM 0 HA ASN A 18 8.625 4.567 -12.642 1.00 25.00 H new ATOM 0 HB2 ASN A 18 6.136 4.753 -10.886 1.00 25.00 H new ATOM 0 HB3 ASN A 18 7.710 5.389 -10.452 1.00 25.00 H new ATOM 0 HD21 ASN A 18 5.392 7.965 -12.008 1.00 25.00 H new ATOM 0 HD22 ASN A 18 5.120 6.697 -10.808 1.00 25.00 H new ATOM 268 N TYR A 19 7.329 1.862 -11.468 1.00 25.00 N ATOM 269 CA TYR A 19 7.673 0.614 -10.770 1.00 25.00 C ATOM 270 C TYR A 19 8.376 -0.320 -11.778 1.00 25.00 C ATOM 271 O TYR A 19 8.769 -1.416 -11.409 1.00 25.00 O ATOM 272 CB TYR A 19 6.386 -0.044 -10.248 1.00 25.00 C ATOM 273 CG TYR A 19 5.644 0.904 -9.309 1.00 25.00 C ATOM 274 CD1 TYR A 19 6.051 1.071 -7.981 1.00 25.00 C ATOM 275 CD2 TYR A 19 4.597 1.706 -9.830 1.00 25.00 C ATOM 276 CE1 TYR A 19 5.380 1.988 -7.118 1.00 25.00 C ATOM 277 CE2 TYR A 19 3.921 2.613 -8.973 1.00 25.00 C ATOM 278 CZ TYR A 19 4.325 2.756 -7.643 1.00 25.00 C ATOM 279 OH TYR A 19 3.685 3.604 -6.788 1.00 25.00 O ATOM 0 H TYR A 19 6.473 1.818 -12.021 1.00 25.00 H new ATOM 0 HA TYR A 19 8.333 0.812 -9.925 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.743 -0.313 -11.086 1.00 25.00 H new ATOM 0 HB3 TYR A 19 6.630 -0.968 -9.724 1.00 25.00 H new ATOM 0 HD1 TYR A 19 6.885 0.498 -7.604 1.00 25.00 H new ATOM 0 HD2 TYR A 19 4.316 1.627 -10.870 1.00 25.00 H new ATOM 0 HE1 TYR A 19 5.676 2.090 -6.084 1.00 25.00 H new ATOM 0 HE2 TYR A 19 3.092 3.194 -9.350 1.00 25.00 H new ATOM 0 HH TYR A 19 2.976 4.080 -7.269 1.00 25.00 H new ATOM 289 N CYS A 20 8.520 0.115 -13.046 1.00 25.00 N ATOM 290 CA CYS A 20 9.248 -0.666 -14.064 1.00 25.00 C ATOM 291 C CYS A 20 10.760 -0.383 -13.945 1.00 25.00 C ATOM 292 O CYS A 20 11.580 -1.076 -14.444 1.00 25.00 O ATOM 293 CB CYS A 20 8.705 -0.345 -15.457 1.00 25.00 C ATOM 294 SG CYS A 20 9.497 -1.127 -16.898 1.00 25.00 S ATOM 0 H CYS A 20 8.143 0.999 -13.388 1.00 25.00 H new ATOM 0 HA CYS A 20 9.096 -1.732 -13.898 1.00 25.00 H new ATOM 0 HB2 CYS A 20 7.649 -0.615 -15.472 1.00 25.00 H new ATOM 0 HB3 CYS A 20 8.760 0.735 -15.594 1.00 25.00 H new ATOM 299 N ASN A 21 11.062 0.709 -13.264 1.00 25.00 N ATOM 300 CA ASN A 21 12.407 1.274 -13.053 1.00 25.00 C ATOM 301 C ASN A 21 13.457 0.336 -12.407 1.00 25.00 C ATOM 302 O ASN A 21 14.542 0.106 -12.885 1.00 25.00 O ATOM 303 CB ASN A 21 12.273 2.665 -12.324 1.00 25.00 C ATOM 304 CG ASN A 21 13.496 3.496 -12.564 1.00 25.00 C ATOM 305 OD1 ASN A 21 14.582 3.152 -12.253 1.00 25.00 O ATOM 306 ND2 ASN A 21 13.322 4.676 -13.101 1.00 25.00 N ATOM 307 OXT ASN A 21 13.032 -0.317 -11.335 1.00 25.00 O ATOM 0 H ASN A 21 10.339 1.268 -12.811 1.00 25.00 H new ATOM 0 HA ASN A 21 12.837 1.417 -14.044 1.00 25.00 H new ATOM 0 HB2 ASN A 21 11.390 3.191 -12.688 1.00 25.00 H new ATOM 0 HB3 ASN A 21 12.134 2.511 -11.254 1.00 25.00 H new ATOM 0 HD21 ASN A 21 14.121 5.292 -13.249 1.00 25.00 H new ATOM 0 HD22 ASN A 21 12.387 4.980 -13.372 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -6.817 -0.286 -23.362 1.00 25.00 N ATOM 317 CA PHE B 1 -6.613 -0.533 -21.905 1.00 25.00 C ATOM 318 C PHE B 1 -7.199 0.577 -21.038 1.00 25.00 C ATOM 319 O PHE B 1 -6.754 1.702 -20.991 1.00 25.00 O ATOM 320 CB PHE B 1 -5.106 -0.675 -21.695 1.00 25.00 C ATOM 321 CG PHE B 1 -4.669 -1.212 -20.352 1.00 25.00 C ATOM 322 CD1 PHE B 1 -4.564 -0.370 -19.255 1.00 25.00 C ATOM 323 CD2 PHE B 1 -4.399 -2.588 -20.235 1.00 25.00 C ATOM 324 CE1 PHE B 1 -4.190 -0.891 -18.000 1.00 25.00 C ATOM 325 CE2 PHE B 1 -4.061 -3.119 -18.965 1.00 25.00 C ATOM 326 CZ PHE B 1 -3.935 -2.257 -17.856 1.00 25.00 C ATOM 0 H1 PHE B 1 -6.402 -1.068 -23.908 1.00 25.00 H new ATOM 0 H2 PHE B 1 -7.835 -0.225 -23.565 1.00 25.00 H new ATOM 0 H3 PHE B 1 -6.357 0.607 -23.631 1.00 25.00 H new ATOM 0 HA PHE B 1 -7.139 -1.437 -21.599 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -4.712 -1.331 -22.471 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -4.646 0.303 -21.840 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -4.769 0.685 -19.362 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -4.449 -3.231 -21.101 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -4.100 -0.233 -17.148 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -3.900 -4.180 -18.847 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.641 -2.653 -16.895 1.00 25.00 H new ATOM 337 N VAL B 2 -8.337 0.308 -20.385 1.00 25.00 N ATOM 338 CA VAL B 2 -8.997 1.264 -19.532 1.00 25.00 C ATOM 339 C VAL B 2 -8.300 1.315 -18.162 1.00 25.00 C ATOM 340 O VAL B 2 -8.185 0.313 -17.470 1.00 25.00 O ATOM 341 CB VAL B 2 -10.468 0.871 -19.343 1.00 25.00 C ATOM 342 CG1 VAL B 2 -11.190 1.883 -18.391 1.00 25.00 C ATOM 343 CG2 VAL B 2 -11.228 0.901 -20.717 1.00 25.00 C ATOM 0 H VAL B 2 -8.817 -0.590 -20.444 1.00 25.00 H new ATOM 0 HA VAL B 2 -8.944 2.247 -20.000 1.00 25.00 H new ATOM 0 HB VAL B 2 -10.483 -0.133 -18.918 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -12.232 1.588 -18.269 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -10.697 1.883 -17.419 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -11.144 2.883 -18.821 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -12.270 0.619 -20.563 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -11.182 1.906 -21.136 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -10.761 0.198 -21.407 1.00 25.00 H new ATOM 353 N ASN B 3 -7.776 2.482 -17.799 1.00 25.00 N ATOM 354 CA ASN B 3 -7.069 2.668 -16.530 1.00 25.00 C ATOM 355 C ASN B 3 -8.113 2.866 -15.432 1.00 25.00 C ATOM 356 O ASN B 3 -8.981 3.748 -15.550 1.00 25.00 O ATOM 357 CB ASN B 3 -6.194 3.931 -16.587 1.00 25.00 C ATOM 358 CG ASN B 3 -5.123 3.878 -17.635 1.00 25.00 C ATOM 359 OD1 ASN B 3 -4.376 2.945 -17.753 1.00 25.00 O ATOM 360 ND2 ASN B 3 -5.031 4.933 -18.404 1.00 25.00 N ATOM 0 H ASN B 3 -7.828 3.324 -18.372 1.00 25.00 H new ATOM 0 HA ASN B 3 -6.440 1.800 -16.335 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -6.831 4.795 -16.775 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -5.729 4.084 -15.613 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -4.311 4.977 -19.126 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -5.679 5.711 -18.282 1.00 25.00 H new ATOM 367 N GLN B 4 -8.025 2.104 -14.331 1.00 25.00 N ATOM 368 CA GLN B 4 -9.018 2.142 -13.237 1.00 25.00 C ATOM 369 C GLN B 4 -8.315 1.636 -11.970 1.00 25.00 C ATOM 370 O GLN B 4 -7.083 1.682 -11.878 1.00 25.00 O ATOM 371 CB GLN B 4 -10.260 1.280 -13.611 1.00 25.00 C ATOM 372 CG GLN B 4 -11.609 1.754 -13.060 1.00 25.00 C ATOM 373 CD GLN B 4 -12.242 2.840 -13.931 1.00 25.00 C ATOM 374 OE1 GLN B 4 -12.794 2.568 -14.982 1.00 25.00 O ATOM 375 NE2 GLN B 4 -12.178 4.092 -13.464 1.00 25.00 N ATOM 0 H GLN B 4 -7.265 1.443 -14.170 1.00 25.00 H new ATOM 0 HA GLN B 4 -9.388 3.153 -13.065 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -10.331 1.237 -14.698 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -10.087 0.262 -13.262 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -12.289 0.905 -12.990 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -11.472 2.137 -12.049 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -11.707 4.283 -12.579 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -12.600 4.856 -13.992 1.00 25.00 H new ATOM 384 N HIS B 5 -9.053 1.116 -10.998 1.00 25.00 N ATOM 385 CA HIS B 5 -8.433 0.571 -9.784 1.00 25.00 C ATOM 386 C HIS B 5 -7.926 -0.873 -10.088 1.00 25.00 C ATOM 387 O HIS B 5 -8.539 -1.873 -9.738 1.00 25.00 O ATOM 388 CB HIS B 5 -9.497 0.539 -8.680 1.00 25.00 C ATOM 389 CG HIS B 5 -10.100 1.883 -8.368 1.00 25.00 C ATOM 390 ND1 HIS B 5 -9.409 2.914 -7.751 1.00 25.00 N ATOM 391 CD2 HIS B 5 -11.362 2.382 -8.576 1.00 25.00 C ATOM 392 CE1 HIS B 5 -10.233 3.951 -7.583 1.00 25.00 C ATOM 393 NE2 HIS B 5 -11.396 3.666 -8.105 1.00 25.00 N ATOM 0 H HIS B 5 -10.071 1.057 -11.019 1.00 25.00 H new ATOM 0 HA HIS B 5 -7.591 1.183 -9.463 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -10.293 -0.144 -8.977 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -9.051 0.133 -7.772 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -12.185 1.853 -9.032 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -9.978 4.879 -7.093 1.00 25.00 H new ATOM 0 HE2 HIS B 5 -12.197 4.296 -8.153 1.00 25.00 H new ATOM 402 N LEU B 6 -6.805 -0.904 -10.792 1.00 25.00 N ATOM 403 CA LEU B 6 -6.198 -2.138 -11.285 1.00 25.00 C ATOM 404 C LEU B 6 -5.442 -2.843 -10.168 1.00 25.00 C ATOM 405 O LEU B 6 -4.242 -2.992 -10.182 1.00 25.00 O ATOM 406 CB LEU B 6 -5.248 -1.809 -12.426 1.00 25.00 C ATOM 407 CG LEU B 6 -5.868 -1.086 -13.625 1.00 25.00 C ATOM 408 CD1 LEU B 6 -4.789 -0.362 -14.355 1.00 25.00 C ATOM 409 CD2 LEU B 6 -6.687 -1.993 -14.559 1.00 25.00 C ATOM 0 H LEU B 6 -6.282 -0.065 -11.042 1.00 25.00 H new ATOM 0 HA LEU B 6 -6.984 -2.803 -11.642 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -4.439 -1.193 -12.033 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -4.799 -2.738 -12.779 1.00 25.00 H new ATOM 0 HG LEU B 6 -6.601 -0.378 -13.239 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -5.216 0.158 -15.213 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -4.321 0.362 -13.688 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -4.041 -1.076 -14.699 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -7.090 -1.400 -15.381 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -6.045 -2.778 -14.958 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -7.507 -2.444 -14.001 1.00 25.00 H new ATOM 421 N CYS B 7 -6.225 -3.304 -9.198 1.00 25.00 N ATOM 422 CA CYS B 7 -5.725 -4.059 -8.072 1.00 25.00 C ATOM 423 C CYS B 7 -5.745 -5.554 -8.399 1.00 25.00 C ATOM 424 O CYS B 7 -5.983 -5.970 -9.564 1.00 25.00 O ATOM 425 CB CYS B 7 -6.574 -3.766 -6.783 1.00 25.00 C ATOM 426 SG CYS B 7 -5.607 -3.696 -5.200 1.00 25.00 S ATOM 0 H CYS B 7 -7.234 -3.158 -9.178 1.00 25.00 H new ATOM 0 HA CYS B 7 -4.698 -3.753 -7.875 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -7.092 -2.816 -6.916 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -7.340 -4.536 -6.689 1.00 25.00 H new HETATM 431 N AIB B 8 -5.483 -6.343 -7.325 1.00 25.00 N HETATM 432 CA AIB B 8 -5.506 -7.825 -7.364 1.00 25.00 C HETATM 433 C AIB B 8 -4.330 -8.380 -8.296 1.00 25.00 C HETATM 434 O AIB B 8 -3.280 -7.758 -8.399 1.00 25.00 O HETATM 435 CB1 AIB B 8 -6.966 -8.293 -7.750 1.00 25.00 C HETATM 436 CB2 AIB B 8 -5.204 -8.298 -5.946 1.00 25.00 C HETATM 0 H AIB B 8 -5.250 -5.966 -6.406 1.00 25.00 H new HETATM 0 HB11 AIB B 8 -7.002 -9.382 -7.784 1.00 25.00 H new HETATM 0 HB12 AIB B 8 -7.674 -7.929 -7.005 1.00 25.00 H new HETATM 0 HB13 AIB B 8 -7.230 -7.891 -8.728 1.00 25.00 H new HETATM 0 HB21 AIB B 8 -5.209 -9.388 -5.917 1.00 25.00 H new HETATM 0 HB22 AIB B 8 -4.224 -7.931 -5.641 1.00 25.00 H new HETATM 0 HB23 AIB B 8 -5.963 -7.914 -5.265 1.00 25.00 H new ATOM 444 N SER B 9 -4.494 -9.578 -8.952 1.00 25.00 N ATOM 445 CA SER B 9 -3.439 -10.142 -9.795 1.00 25.00 C ATOM 446 C SER B 9 -3.205 -9.314 -11.023 1.00 25.00 C ATOM 447 O SER B 9 -2.064 -9.201 -11.522 1.00 25.00 O ATOM 448 CB SER B 9 -3.758 -11.573 -10.151 1.00 25.00 C ATOM 449 OG SER B 9 -2.934 -12.004 -11.185 1.00 25.00 O ATOM 0 H SER B 9 -5.340 -10.145 -8.900 1.00 25.00 H new ATOM 0 HA SER B 9 -2.511 -10.129 -9.223 1.00 25.00 H new ATOM 0 HB2 SER B 9 -3.623 -12.212 -9.278 1.00 25.00 H new ATOM 0 HB3 SER B 9 -4.803 -11.657 -10.449 1.00 25.00 H new ATOM 0 HG SER B 9 -3.148 -12.934 -11.408 1.00 25.00 H new ATOM 455 N HIS B 10 -4.282 -8.625 -11.474 1.00 25.00 N ATOM 456 CA HIS B 10 -4.222 -7.749 -12.621 1.00 25.00 C ATOM 457 C HIS B 10 -3.172 -6.638 -12.423 1.00 25.00 C ATOM 458 O HIS B 10 -2.604 -6.194 -13.408 1.00 25.00 O ATOM 459 CB HIS B 10 -5.592 -7.104 -12.896 1.00 25.00 C ATOM 460 CG HIS B 10 -6.582 -8.092 -13.417 1.00 25.00 C ATOM 461 ND1 HIS B 10 -6.393 -8.876 -14.564 1.00 25.00 N ATOM 462 CD2 HIS B 10 -7.803 -8.451 -12.943 1.00 25.00 C ATOM 463 CE1 HIS B 10 -7.459 -9.632 -14.744 1.00 25.00 C ATOM 464 NE2 HIS B 10 -8.316 -9.402 -13.788 1.00 25.00 N ATOM 0 H HIS B 10 -5.204 -8.675 -11.040 1.00 25.00 H new ATOM 0 HA HIS B 10 -3.934 -8.362 -13.475 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -5.974 -6.659 -11.977 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -5.473 -6.295 -13.617 1.00 25.00 H new ATOM 0 HD1 HIS B 10 -5.566 -8.864 -15.162 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -8.284 -8.058 -12.059 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -7.600 -10.331 -15.555 1.00 25.00 H new ATOM 473 N LEU B 11 -2.906 -6.244 -11.204 1.00 25.00 N ATOM 474 CA LEU B 11 -1.881 -5.238 -10.948 1.00 25.00 C ATOM 475 C LEU B 11 -0.512 -5.700 -11.435 1.00 25.00 C ATOM 476 O LEU B 11 0.182 -4.983 -12.165 1.00 25.00 O ATOM 477 CB LEU B 11 -1.752 -4.950 -9.461 1.00 25.00 C ATOM 478 CG LEU B 11 -0.611 -3.990 -9.069 1.00 25.00 C ATOM 479 CD1 LEU B 11 -0.673 -2.685 -9.851 1.00 25.00 C ATOM 480 CD2 LEU B 11 -0.687 -3.739 -7.551 1.00 25.00 C ATOM 0 H LEU B 11 -3.376 -6.596 -10.370 1.00 25.00 H new ATOM 0 HA LEU B 11 -2.193 -4.343 -11.487 1.00 25.00 H new ATOM 0 HB2 LEU B 11 -2.694 -4.531 -9.106 1.00 25.00 H new ATOM 0 HB3 LEU B 11 -1.605 -5.894 -8.937 1.00 25.00 H new ATOM 0 HG LEU B 11 0.346 -4.448 -9.320 1.00 25.00 H new ATOM 0 HD11 LEU B 11 0.148 -2.038 -9.544 1.00 25.00 H new ATOM 0 HD12 LEU B 11 -0.590 -2.896 -10.917 1.00 25.00 H new ATOM 0 HD13 LEU B 11 -1.622 -2.186 -9.652 1.00 25.00 H new ATOM 0 HD21 LEU B 11 0.113 -3.061 -7.254 1.00 25.00 H new ATOM 0 HD22 LEU B 11 -1.651 -3.293 -7.304 1.00 25.00 H new ATOM 0 HD23 LEU B 11 -0.578 -4.685 -7.020 1.00 25.00 H new ATOM 492 N VAL B 12 -0.186 -6.927 -11.076 1.00 25.00 N ATOM 493 CA VAL B 12 1.080 -7.527 -11.448 1.00 25.00 C ATOM 494 C VAL B 12 1.104 -7.698 -12.966 1.00 25.00 C ATOM 495 O VAL B 12 2.101 -7.392 -13.622 1.00 25.00 O ATOM 496 CB VAL B 12 1.301 -8.898 -10.767 1.00 25.00 C ATOM 497 CG1 VAL B 12 2.693 -9.432 -11.025 1.00 25.00 C ATOM 498 CG2 VAL B 12 1.041 -8.804 -9.241 1.00 25.00 C ATOM 0 H VAL B 12 -0.789 -7.534 -10.520 1.00 25.00 H new ATOM 0 HA VAL B 12 1.883 -6.870 -11.115 1.00 25.00 H new ATOM 0 HB VAL B 12 0.586 -9.595 -11.205 1.00 25.00 H new ATOM 0 HG11 VAL B 12 2.810 -10.396 -10.531 1.00 25.00 H new ATOM 0 HG12 VAL B 12 2.843 -9.554 -12.098 1.00 25.00 H new ATOM 0 HG13 VAL B 12 3.430 -8.731 -10.633 1.00 25.00 H new ATOM 0 HG21 VAL B 12 1.203 -9.780 -8.784 1.00 25.00 H new ATOM 0 HG22 VAL B 12 1.724 -8.079 -8.799 1.00 25.00 H new ATOM 0 HG23 VAL B 12 0.013 -8.487 -9.066 1.00 25.00 H new ATOM 508 N GLU B 13 -0.017 -8.165 -13.495 1.00 25.00 N ATOM 509 CA GLU B 13 -0.157 -8.356 -14.939 1.00 25.00 C ATOM 510 C GLU B 13 0.045 -7.093 -15.744 1.00 25.00 C ATOM 511 O GLU B 13 0.739 -7.085 -16.758 1.00 25.00 O ATOM 512 CB GLU B 13 -1.559 -8.885 -15.192 1.00 25.00 C ATOM 513 CG GLU B 13 -1.791 -9.344 -16.580 1.00 25.00 C ATOM 514 CD GLU B 13 -3.231 -9.790 -16.819 1.00 25.00 C ATOM 515 OE1 GLU B 13 -4.196 -9.235 -16.343 1.00 25.00 O ATOM 516 OE2 GLU B 13 -3.334 -10.850 -17.518 1.00 25.00 O ATOM 0 H GLU B 13 -0.842 -8.419 -12.952 1.00 25.00 H new ATOM 0 HA GLU B 13 0.620 -9.049 -15.261 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -1.752 -9.713 -14.510 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -2.279 -8.102 -14.954 1.00 25.00 H new ATOM 0 HG2 GLU B 13 -1.545 -8.538 -17.271 1.00 25.00 H new ATOM 0 HG3 GLU B 13 -1.117 -10.171 -16.802 1.00 25.00 H new ATOM 524 N ALA B 14 -0.580 -6.002 -15.279 1.00 25.00 N ATOM 525 CA ALA B 14 -0.522 -4.739 -15.970 1.00 25.00 C ATOM 526 C ALA B 14 0.932 -4.210 -15.890 1.00 25.00 C ATOM 527 O ALA B 14 1.469 -3.702 -16.890 1.00 25.00 O ATOM 528 CB ALA B 14 -1.490 -3.750 -15.315 1.00 25.00 C ATOM 0 H ALA B 14 -1.131 -5.986 -14.421 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.812 -4.860 -17.014 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.445 -2.795 -15.839 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -2.505 -4.145 -15.368 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -1.211 -3.605 -14.271 1.00 25.00 H new ATOM 534 N LEU B 15 1.588 -4.448 -14.774 1.00 25.00 N ATOM 535 CA LEU B 15 3.001 -4.036 -14.670 1.00 25.00 C ATOM 536 C LEU B 15 3.907 -4.884 -15.555 1.00 25.00 C ATOM 537 O LEU B 15 4.756 -4.396 -16.275 1.00 25.00 O ATOM 538 CB LEU B 15 3.492 -4.106 -13.243 1.00 25.00 C ATOM 539 CG LEU B 15 4.926 -3.610 -12.952 1.00 25.00 C ATOM 540 CD1 LEU B 15 5.199 -2.181 -13.393 1.00 25.00 C ATOM 541 CD2 LEU B 15 5.084 -3.736 -11.460 1.00 25.00 C ATOM 0 H LEU B 15 1.200 -4.905 -13.949 1.00 25.00 H new ATOM 0 HA LEU B 15 3.046 -3.003 -15.014 1.00 25.00 H new ATOM 0 HB2 LEU B 15 2.805 -3.529 -12.623 1.00 25.00 H new ATOM 0 HB3 LEU B 15 3.423 -5.143 -12.915 1.00 25.00 H new ATOM 0 HG LEU B 15 5.641 -4.204 -13.521 1.00 25.00 H new ATOM 0 HD11 LEU B 15 6.228 -1.916 -13.150 1.00 25.00 H new ATOM 0 HD12 LEU B 15 5.047 -2.097 -14.469 1.00 25.00 H new ATOM 0 HD13 LEU B 15 4.518 -1.504 -12.876 1.00 25.00 H new ATOM 0 HD21 LEU B 15 6.080 -3.402 -11.170 1.00 25.00 H new ATOM 0 HD22 LEU B 15 4.336 -3.120 -10.962 1.00 25.00 H new ATOM 0 HD23 LEU B 15 4.951 -4.777 -11.167 1.00 25.00 H new ATOM 553 N TYR B 16 3.663 -6.183 -15.586 1.00 25.00 N ATOM 554 CA TYR B 16 4.426 -7.074 -16.454 1.00 25.00 C ATOM 555 C TYR B 16 4.228 -6.732 -17.924 1.00 25.00 C ATOM 556 O TYR B 16 5.151 -6.809 -18.726 1.00 25.00 O ATOM 557 CB TYR B 16 3.954 -8.512 -16.157 1.00 25.00 C ATOM 558 CG TYR B 16 4.945 -9.567 -16.651 1.00 25.00 C ATOM 559 CD1 TYR B 16 6.211 -9.764 -16.015 1.00 25.00 C ATOM 560 CD2 TYR B 16 4.613 -10.428 -17.736 1.00 25.00 C ATOM 561 CE1 TYR B 16 7.116 -10.743 -16.502 1.00 25.00 C ATOM 562 CE2 TYR B 16 5.472 -11.380 -18.213 1.00 25.00 C ATOM 563 CZ TYR B 16 6.725 -11.572 -17.597 1.00 25.00 C ATOM 564 OH TYR B 16 7.577 -12.516 -18.115 1.00 25.00 O ATOM 0 H TYR B 16 2.948 -6.646 -15.025 1.00 25.00 H new ATOM 0 HA TYR B 16 5.492 -6.966 -16.256 1.00 25.00 H new ATOM 0 HB2 TYR B 16 3.809 -8.629 -15.083 1.00 25.00 H new ATOM 0 HB3 TYR B 16 2.986 -8.678 -16.629 1.00 25.00 H new ATOM 0 HD1 TYR B 16 6.480 -9.164 -15.158 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.644 -10.325 -18.201 1.00 25.00 H new ATOM 0 HE1 TYR B 16 8.090 -10.860 -16.049 1.00 25.00 H new ATOM 0 HE2 TYR B 16 5.190 -11.985 -19.062 1.00 25.00 H new ATOM 0 HH TYR B 16 7.136 -12.984 -18.855 1.00 25.00 H new ATOM 574 N LEU B 17 2.996 -6.358 -18.296 1.00 25.00 N ATOM 575 CA LEU B 17 2.712 -6.009 -19.694 1.00 25.00 C ATOM 576 C LEU B 17 3.474 -4.754 -20.089 1.00 25.00 C ATOM 577 O LEU B 17 4.123 -4.700 -21.162 1.00 25.00 O ATOM 578 CB LEU B 17 1.182 -5.827 -19.929 1.00 25.00 C ATOM 579 CG LEU B 17 0.302 -7.092 -20.117 1.00 25.00 C ATOM 580 CD1 LEU B 17 -1.188 -6.821 -19.943 1.00 25.00 C ATOM 581 CD2 LEU B 17 0.640 -7.756 -21.442 1.00 25.00 C ATOM 0 H LEU B 17 2.197 -6.290 -17.665 1.00 25.00 H new ATOM 0 HA LEU B 17 3.047 -6.831 -20.326 1.00 25.00 H new ATOM 0 HB2 LEU B 17 0.782 -5.268 -19.083 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.055 -5.202 -20.813 1.00 25.00 H new ATOM 0 HG LEU B 17 0.539 -7.792 -19.316 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.745 -7.746 -20.087 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -1.373 -6.439 -18.939 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -1.512 -6.084 -20.678 1.00 25.00 H new ATOM 0 HD21 LEU B 17 0.021 -8.644 -21.572 1.00 25.00 H new ATOM 0 HD22 LEU B 17 0.450 -7.058 -22.258 1.00 25.00 H new ATOM 0 HD23 LEU B 17 1.692 -8.043 -21.448 1.00 25.00 H new ATOM 593 N VAL B 18 3.361 -3.698 -19.265 1.00 25.00 N ATOM 594 CA VAL B 18 4.018 -2.427 -19.668 1.00 25.00 C ATOM 595 C VAL B 18 5.556 -2.522 -19.674 1.00 25.00 C ATOM 596 O VAL B 18 6.218 -1.878 -20.469 1.00 25.00 O ATOM 597 CB VAL B 18 3.510 -1.222 -18.780 1.00 25.00 C ATOM 598 CG1 VAL B 18 4.062 -1.245 -17.321 1.00 25.00 C ATOM 599 CG2 VAL B 18 3.812 0.118 -19.432 1.00 25.00 C ATOM 0 H VAL B 18 2.860 -3.684 -18.376 1.00 25.00 H new ATOM 0 HA VAL B 18 3.726 -2.235 -20.700 1.00 25.00 H new ATOM 0 HB VAL B 18 2.430 -1.351 -18.712 1.00 25.00 H new ATOM 0 HG11 VAL B 18 3.672 -0.389 -16.771 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.750 -2.166 -16.828 1.00 25.00 H new ATOM 0 HG13 VAL B 18 5.151 -1.196 -17.343 1.00 25.00 H new ATOM 0 HG21 VAL B 18 3.449 0.923 -18.794 1.00 25.00 H new ATOM 0 HG22 VAL B 18 4.888 0.221 -19.569 1.00 25.00 H new ATOM 0 HG23 VAL B 18 3.316 0.171 -20.401 1.00 25.00 H new ATOM 609 N CYS B 19 6.128 -3.286 -18.715 1.00 25.00 N ATOM 610 CA CYS B 19 7.596 -3.412 -18.553 1.00 25.00 C ATOM 611 C CYS B 19 8.106 -4.509 -19.493 1.00 25.00 C ATOM 612 O CYS B 19 9.254 -4.520 -19.898 1.00 25.00 O ATOM 613 CB CYS B 19 7.895 -3.712 -17.064 1.00 25.00 C ATOM 614 SG CYS B 19 9.526 -3.127 -16.484 1.00 25.00 S ATOM 0 H CYS B 19 5.592 -3.828 -18.037 1.00 25.00 H new ATOM 0 HA CYS B 19 8.114 -2.491 -18.820 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.120 -3.252 -16.451 1.00 25.00 H new ATOM 0 HB3 CYS B 19 7.831 -4.788 -16.904 1.00 25.00 H new ATOM 619 N GLY B 20 7.229 -5.368 -19.968 1.00 25.00 N ATOM 620 CA GLY B 20 7.581 -6.414 -20.908 1.00 25.00 C ATOM 621 C GLY B 20 7.994 -7.662 -20.211 1.00 25.00 C ATOM 622 O GLY B 20 8.232 -7.644 -19.033 1.00 25.00 O ATOM 0 H GLY B 20 6.242 -5.361 -19.711 1.00 25.00 H new ATOM 0 HA2 GLY B 20 6.730 -6.623 -21.556 1.00 25.00 H new ATOM 0 HA3 GLY B 20 8.392 -6.069 -21.549 1.00 25.00 H new ATOM 626 N GLU B 21 8.090 -8.743 -20.962 1.00 25.00 N ATOM 627 CA GLU B 21 8.481 -10.012 -20.422 1.00 25.00 C ATOM 628 C GLU B 21 9.974 -10.006 -19.986 1.00 25.00 C ATOM 629 O GLU B 21 10.428 -10.884 -19.198 1.00 25.00 O ATOM 630 CB GLU B 21 8.299 -11.089 -21.500 1.00 25.00 C ATOM 631 CG GLU B 21 6.874 -11.189 -22.062 1.00 25.00 C ATOM 632 CD GLU B 21 6.735 -12.289 -23.069 1.00 25.00 C ATOM 633 OE1 GLU B 21 7.633 -12.982 -23.423 1.00 25.00 O ATOM 634 OE2 GLU B 21 5.571 -12.371 -23.574 1.00 25.00 O ATOM 0 H GLU B 21 7.897 -8.756 -21.963 1.00 25.00 H new ATOM 0 HA GLU B 21 7.860 -10.217 -19.550 1.00 25.00 H new ATOM 0 HB2 GLU B 21 8.987 -10.884 -22.321 1.00 25.00 H new ATOM 0 HB3 GLU B 21 8.580 -12.056 -21.082 1.00 25.00 H new ATOM 0 HG2 GLU B 21 6.174 -11.358 -21.244 1.00 25.00 H new ATOM 0 HG3 GLU B 21 6.601 -10.240 -22.524 1.00 25.00 H new ATOM 642 N ARG B 22 10.708 -9.013 -20.475 1.00 25.00 N ATOM 643 CA ARG B 22 12.107 -8.864 -20.126 1.00 25.00 C ATOM 644 C ARG B 22 12.225 -7.708 -19.123 1.00 25.00 C ATOM 645 O ARG B 22 13.303 -7.130 -18.958 1.00 25.00 O ATOM 646 CB ARG B 22 12.936 -8.577 -21.409 1.00 25.00 C ATOM 647 CG ARG B 22 13.181 -9.841 -22.280 1.00 25.00 C ATOM 648 CD ARG B 22 12.128 -10.070 -23.359 1.00 25.00 C ATOM 649 NE ARG B 22 12.374 -9.251 -24.579 1.00 25.00 N ATOM 650 CZ ARG B 22 11.717 -9.356 -25.732 1.00 25.00 C ATOM 651 NH1 ARG B 22 10.733 -10.236 -25.892 1.00 25.00 N ATOM 652 NH2 ARG B 22 12.042 -8.576 -26.735 1.00 25.00 N ATOM 0 H ARG B 22 10.353 -8.301 -21.114 1.00 25.00 H new ATOM 0 HA ARG B 22 12.495 -9.777 -19.675 1.00 25.00 H new ATOM 0 HB2 ARG B 22 12.418 -7.827 -22.007 1.00 25.00 H new ATOM 0 HB3 ARG B 22 13.897 -8.149 -21.124 1.00 25.00 H new ATOM 0 HG2 ARG B 22 14.159 -9.758 -22.754 1.00 25.00 H new ATOM 0 HG3 ARG B 22 13.215 -10.715 -21.630 1.00 25.00 H new ATOM 0 HD2 ARG B 22 12.114 -11.126 -23.631 1.00 25.00 H new ATOM 0 HD3 ARG B 22 11.143 -9.831 -22.958 1.00 25.00 H new ATOM 0 HE ARG B 22 13.111 -8.548 -24.526 1.00 25.00 H new ATOM 0 HH11 ARG B 22 10.467 -10.849 -25.122 1.00 25.00 H new ATOM 0 HH12 ARG B 22 10.244 -10.298 -26.785 1.00 25.00 H new ATOM 0 HH21 ARG B 22 12.794 -7.895 -26.629 1.00 25.00 H new ATOM 0 HH22 ARG B 22 11.543 -8.651 -27.622 1.00 25.00 H new ATOM 666 N GLY B 23 11.091 -7.346 -18.540 1.00 25.00 N ATOM 667 CA GLY B 23 10.999 -6.237 -17.565 1.00 25.00 C ATOM 668 C GLY B 23 11.507 -6.528 -16.169 1.00 25.00 C ATOM 669 O GLY B 23 12.393 -7.347 -15.989 1.00 25.00 O ATOM 0 H GLY B 23 10.199 -7.806 -18.722 1.00 25.00 H new ATOM 0 HA2 GLY B 23 11.554 -5.386 -17.961 1.00 25.00 H new ATOM 0 HA3 GLY B 23 9.955 -5.931 -17.493 1.00 25.00 H new ATOM 673 N PHE B 24 10.929 -5.840 -15.195 1.00 25.00 N ATOM 674 CA PHE B 24 11.314 -6.003 -13.770 1.00 25.00 C ATOM 675 C PHE B 24 11.077 -7.471 -13.290 1.00 25.00 C ATOM 676 O PHE B 24 10.243 -8.206 -13.857 1.00 25.00 O ATOM 677 CB PHE B 24 10.459 -5.032 -12.884 1.00 25.00 C ATOM 678 CG PHE B 24 9.241 -5.676 -12.272 1.00 25.00 C ATOM 679 CD1 PHE B 24 8.106 -5.957 -13.055 1.00 25.00 C ATOM 680 CD2 PHE B 24 9.220 -6.000 -10.885 1.00 25.00 C ATOM 681 CE1 PHE B 24 6.953 -6.609 -12.457 1.00 25.00 C ATOM 682 CE2 PHE B 24 8.081 -6.640 -10.309 1.00 25.00 C ATOM 683 CZ PHE B 24 6.955 -6.965 -11.094 1.00 25.00 C ATOM 0 H PHE B 24 10.187 -5.157 -15.350 1.00 25.00 H new ATOM 0 HA PHE B 24 12.374 -5.770 -13.673 1.00 25.00 H new ATOM 0 HB2 PHE B 24 11.087 -4.635 -12.087 1.00 25.00 H new ATOM 0 HB3 PHE B 24 10.143 -4.184 -13.492 1.00 25.00 H new ATOM 0 HD1 PHE B 24 8.092 -5.688 -14.101 1.00 25.00 H new ATOM 0 HD2 PHE B 24 10.071 -5.760 -10.265 1.00 25.00 H new ATOM 0 HE1 PHE B 24 6.086 -6.823 -13.064 1.00 25.00 H new ATOM 0 HE2 PHE B 24 8.082 -6.879 -9.256 1.00 25.00 H new ATOM 0 HZ PHE B 24 6.110 -7.477 -10.658 1.00 25.00 H new ATOM 693 N PHE B 25 11.680 -7.843 -12.157 1.00 25.00 N ATOM 694 CA PHE B 25 11.439 -9.162 -11.545 1.00 25.00 C ATOM 695 C PHE B 25 11.085 -8.979 -10.089 1.00 25.00 C ATOM 696 O PHE B 25 11.531 -8.029 -9.455 1.00 25.00 O ATOM 697 CB PHE B 25 12.705 -10.064 -11.657 1.00 25.00 C ATOM 698 CG PHE B 25 13.001 -10.442 -13.041 1.00 25.00 C ATOM 699 CD1 PHE B 25 12.442 -11.597 -13.587 1.00 25.00 C ATOM 700 CD2 PHE B 25 13.826 -9.654 -13.825 1.00 25.00 C ATOM 701 CE1 PHE B 25 12.653 -11.973 -14.942 1.00 25.00 C ATOM 702 CE2 PHE B 25 14.028 -9.966 -15.206 1.00 25.00 C ATOM 703 CZ PHE B 25 13.446 -11.131 -15.765 1.00 25.00 C ATOM 0 H PHE B 25 12.337 -7.255 -11.643 1.00 25.00 H new ATOM 0 HA PHE B 25 10.618 -9.646 -12.074 1.00 25.00 H new ATOM 0 HB2 PHE B 25 13.561 -9.537 -11.236 1.00 25.00 H new ATOM 0 HB3 PHE B 25 12.560 -10.965 -11.060 1.00 25.00 H new ATOM 0 HD1 PHE B 25 11.828 -12.227 -12.960 1.00 25.00 H new ATOM 0 HD2 PHE B 25 14.321 -8.798 -13.391 1.00 25.00 H new ATOM 0 HE1 PHE B 25 12.219 -12.880 -15.337 1.00 25.00 H new ATOM 0 HE2 PHE B 25 14.625 -9.312 -15.824 1.00 25.00 H new ATOM 0 HZ PHE B 25 13.604 -11.375 -16.805 1.00 25.00 H new ATOM 713 N TYR B 26 10.397 -9.941 -9.510 1.00 25.00 N ATOM 714 CA TYR B 26 10.126 -9.904 -8.052 1.00 25.00 C ATOM 715 C TYR B 26 10.703 -11.147 -7.380 1.00 25.00 C ATOM 716 O TYR B 26 10.108 -11.718 -6.455 1.00 25.00 O ATOM 717 CB TYR B 26 8.599 -9.877 -7.810 1.00 25.00 C ATOM 718 CG TYR B 26 8.129 -9.138 -6.560 1.00 25.00 C ATOM 719 CD1 TYR B 26 8.917 -9.052 -5.405 1.00 25.00 C ATOM 720 CD2 TYR B 26 6.856 -8.557 -6.564 1.00 25.00 C ATOM 721 CE1 TYR B 26 8.407 -8.421 -4.242 1.00 25.00 C ATOM 722 CE2 TYR B 26 6.375 -7.907 -5.450 1.00 25.00 C ATOM 723 CZ TYR B 26 7.131 -7.853 -4.302 1.00 25.00 C ATOM 724 OH TYR B 26 6.551 -7.250 -3.199 1.00 25.00 O ATOM 0 H TYR B 26 10.014 -10.751 -9.998 1.00 25.00 H new ATOM 0 HA TYR B 26 10.590 -9.011 -7.633 1.00 25.00 H new ATOM 0 HB2 TYR B 26 8.122 -9.421 -8.678 1.00 25.00 H new ATOM 0 HB3 TYR B 26 8.242 -10.906 -7.755 1.00 25.00 H new ATOM 0 HD1 TYR B 26 9.914 -9.467 -5.400 1.00 25.00 H new ATOM 0 HD2 TYR B 26 6.244 -8.619 -7.451 1.00 25.00 H new ATOM 0 HE1 TYR B 26 8.989 -8.380 -3.333 1.00 25.00 H new ATOM 0 HE2 TYR B 26 5.402 -7.439 -5.477 1.00 25.00 H new ATOM 0 HH TYR B 26 5.662 -6.914 -3.439 1.00 25.00 H new ATOM 734 N THR B 27 11.802 -11.641 -7.922 1.00 25.00 N ATOM 735 CA THR B 27 12.401 -12.876 -7.486 1.00 25.00 C ATOM 736 C THR B 27 13.941 -12.745 -7.692 1.00 25.00 C ATOM 737 O THR B 27 14.370 -11.905 -8.506 1.00 25.00 O ATOM 738 CB THR B 27 11.798 -14.143 -8.227 1.00 25.00 C ATOM 739 OG1 THR B 27 12.365 -15.318 -7.595 1.00 25.00 O ATOM 740 CG2 THR B 27 12.085 -14.192 -9.715 1.00 25.00 C ATOM 0 H THR B 27 12.304 -11.186 -8.685 1.00 25.00 H new ATOM 0 HA THR B 27 12.177 -13.043 -6.432 1.00 25.00 H new ATOM 0 HB THR B 27 10.713 -14.093 -8.138 1.00 25.00 H new ATOM 0 HG1 THR B 27 12.013 -16.124 -8.027 1.00 25.00 H new ATOM 0 HG21 THR B 27 11.637 -15.089 -10.143 1.00 25.00 H new ATOM 0 HG22 THR B 27 11.662 -13.310 -10.196 1.00 25.00 H new ATOM 0 HG23 THR B 27 13.163 -14.212 -9.877 1.00 25.00 H new ATOM 748 N LYS B 28 14.738 -13.545 -6.969 1.00 25.00 N ATOM 749 CA LYS B 28 16.187 -13.514 -7.078 1.00 25.00 C ATOM 750 C LYS B 28 16.797 -14.869 -7.341 1.00 25.00 C ATOM 751 O LYS B 28 17.221 -15.550 -6.427 1.00 25.00 O ATOM 752 CB LYS B 28 16.803 -12.989 -5.785 1.00 25.00 C ATOM 753 CG LYS B 28 16.772 -11.425 -5.661 1.00 25.00 C ATOM 754 CD LYS B 28 17.617 -10.762 -6.767 1.00 25.00 C ATOM 755 CE LYS B 28 18.077 -9.362 -6.382 1.00 25.00 C ATOM 756 NZ LYS B 28 18.945 -9.296 -5.085 1.00 25.00 N ATOM 0 H LYS B 28 14.388 -14.227 -6.296 1.00 25.00 H new ATOM 0 HA LYS B 28 16.401 -12.863 -7.925 1.00 25.00 H new ATOM 0 HB2 LYS B 28 16.272 -13.422 -4.938 1.00 25.00 H new ATOM 0 HB3 LYS B 28 17.837 -13.329 -5.721 1.00 25.00 H new ATOM 0 HG2 LYS B 28 15.743 -11.073 -5.726 1.00 25.00 H new ATOM 0 HG3 LYS B 28 17.150 -11.127 -4.683 1.00 25.00 H new ATOM 0 HD2 LYS B 28 18.488 -11.383 -6.977 1.00 25.00 H new ATOM 0 HD3 LYS B 28 17.033 -10.710 -7.686 1.00 25.00 H new ATOM 0 HE2 LYS B 28 18.650 -8.942 -7.209 1.00 25.00 H new ATOM 0 HE3 LYS B 28 17.199 -8.729 -6.249 1.00 25.00 H new ATOM 0 HZ1 LYS B 28 19.421 -8.373 -5.033 1.00 25.00 H new ATOM 0 HZ2 LYS B 28 18.334 -9.418 -4.252 1.00 25.00 H new ATOM 0 HZ3 LYS B 28 19.658 -10.053 -5.106 1.00 25.00 H new ATOM 770 N PRO B 29 16.891 -15.255 -8.635 1.00 25.00 N ATOM 771 CA PRO B 29 17.600 -16.501 -8.969 1.00 25.00 C ATOM 772 C PRO B 29 19.111 -16.424 -8.748 1.00 25.00 C ATOM 773 O PRO B 29 19.857 -15.880 -9.544 1.00 25.00 O ATOM 774 CB PRO B 29 17.249 -16.704 -10.445 1.00 25.00 C ATOM 775 CG PRO B 29 17.026 -15.298 -10.951 1.00 25.00 C ATOM 776 CD PRO B 29 16.374 -14.560 -9.843 1.00 25.00 C ATOM 0 HA PRO B 29 17.300 -17.329 -8.327 1.00 25.00 H new ATOM 0 HB2 PRO B 29 18.055 -17.202 -10.984 1.00 25.00 H new ATOM 0 HB3 PRO B 29 16.358 -17.320 -10.565 1.00 25.00 H new ATOM 0 HG2 PRO B 29 17.970 -14.830 -11.229 1.00 25.00 H new ATOM 0 HG3 PRO B 29 16.397 -15.300 -11.841 1.00 25.00 H new ATOM 0 HD2 PRO B 29 16.642 -13.504 -9.848 1.00 25.00 H new ATOM 0 HD3 PRO B 29 15.287 -14.613 -9.906 1.00 25.00 H new ATOM 784 N THR B 30 19.615 -16.915 -7.614 1.00 25.00 N ATOM 785 CA THR B 30 21.061 -16.733 -7.318 1.00 25.00 C ATOM 786 C THR B 30 21.911 -17.770 -7.993 1.00 25.00 C ATOM 787 O THR B 30 21.681 -18.986 -7.976 1.00 25.00 O ATOM 788 CB THR B 30 21.344 -16.710 -5.764 1.00 25.00 C ATOM 789 OG1 THR B 30 22.693 -16.922 -5.572 1.00 25.00 O ATOM 790 CG2 THR B 30 20.531 -17.845 -5.051 1.00 25.00 C ATOM 791 OXT THR B 30 22.890 -17.240 -8.695 1.00 25.00 O ATOM 0 H THR B 30 19.083 -17.421 -6.906 1.00 25.00 H new ATOM 0 HA THR B 30 21.337 -15.761 -7.726 1.00 25.00 H new ATOM 0 HB THR B 30 21.042 -15.750 -5.345 1.00 25.00 H new ATOM 0 HG1 THR B 30 22.893 -16.910 -4.613 1.00 25.00 H new ATOM 0 HG21 THR B 30 20.734 -17.820 -3.980 1.00 25.00 H new ATOM 0 HG22 THR B 30 19.465 -17.692 -5.222 1.00 25.00 H new ATOM 0 HG23 THR B 30 20.828 -18.813 -5.454 1.00 25.00 H new TER 800 THR B 30