USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 508 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 SER OG : rot 180:sc= 0.633 USER MOD Set 1.2: A 56 THR OG1 : rot 79:sc= 0.55 USER MOD Set 2.1: A 37 SER OG : rot 170:sc= 0.148 USER MOD Set 2.2: A 40 ASN : amide:sc= 0 X(o=0.15,f=-0.27) USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 14 CYS SG : rot 180:sc= 0.265 USER MOD Set 3.3: A 16 SER OG : rot 95:sc= 0.206 USER MOD Set 3.4: A 17 CYS SG : rot -95:sc= 0.0473 USER MOD Single : A 2 THR OG1 : rot -26:sc= 0.12 USER MOD Single : A 3 GLN : amide:sc= 0.664 K(o=0.66,f=-0.042) USER MOD Single : A 5 THR OG1 : rot 140:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 MET CE :methyl 135:sc= -0.0017 (180deg=-0.623) USER MOD Single : A 15 ASN : amide:sc= -0.0552 X(o=-0.055,f=-0.0063) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 77:sc= 0.927 USER MOD Single : A 26 SER OG : rot 46:sc= 0.535 USER MOD Single : A 27 LYS NZ :NH3+ -112:sc= 0.297 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 169:sc=-0.00393 (180deg=-0.331) USER MOD Single : A 33 SER OG : rot 77:sc= 1.08 USER MOD Single : A 41 SER OG : rot 11:sc= 0.625 USER MOD Single : A 42 ASN : amide:sc= -0.358 K(o=-0.36,f=-2.6!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 173:sc= 0 (180deg=-0.0586) USER MOD Single : A 69 THR OG1 : rot 7:sc= 0.232 USER MOD ----------------------------------------------------------------- ATOM 22 N THR A 2 6.039 -14.891 -2.906 1.00 0.00 N ATOM 23 CA THR A 2 5.858 -13.451 -2.786 1.00 0.00 C ATOM 24 C THR A 2 5.362 -12.880 -4.115 1.00 0.00 C ATOM 25 O THR A 2 5.614 -13.453 -5.174 1.00 0.00 O ATOM 26 CB THR A 2 7.164 -12.771 -2.349 1.00 0.00 C ATOM 27 OG1 THR A 2 8.208 -13.093 -3.245 1.00 0.00 O ATOM 28 CG2 THR A 2 7.572 -13.176 -0.929 1.00 0.00 C ATOM 0 HA THR A 2 5.110 -13.252 -2.019 1.00 0.00 H new ATOM 0 HB THR A 2 6.986 -11.696 -2.359 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.019 -13.955 -3.671 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.501 -12.673 -0.660 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.787 -12.889 -0.229 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.719 -14.255 -0.886 1.00 0.00 H new ATOM 36 N GLN A 3 4.655 -11.747 -4.040 1.00 0.00 N ATOM 37 CA GLN A 3 4.128 -10.995 -5.170 1.00 0.00 C ATOM 38 C GLN A 3 4.249 -9.500 -4.870 1.00 0.00 C ATOM 39 O GLN A 3 4.482 -9.107 -3.727 1.00 0.00 O ATOM 40 CB GLN A 3 2.653 -11.362 -5.404 1.00 0.00 C ATOM 41 CG GLN A 3 2.442 -12.757 -6.006 1.00 0.00 C ATOM 42 CD GLN A 3 2.915 -12.839 -7.456 1.00 0.00 C ATOM 43 OE1 GLN A 3 2.167 -12.509 -8.372 1.00 0.00 O ATOM 44 NE2 GLN A 3 4.155 -13.281 -7.674 1.00 0.00 N ATOM 0 H GLN A 3 4.427 -11.314 -3.145 1.00 0.00 H new ATOM 0 HA GLN A 3 4.695 -11.238 -6.068 1.00 0.00 H new ATOM 0 HB2 GLN A 3 2.120 -11.303 -4.455 1.00 0.00 H new ATOM 0 HB3 GLN A 3 2.206 -10.621 -6.067 1.00 0.00 H new ATOM 0 HG2 GLN A 3 2.979 -13.493 -5.408 1.00 0.00 H new ATOM 0 HG3 GLN A 3 1.384 -13.016 -5.956 1.00 0.00 H new ATOM 0 HE21 GLN A 3 4.748 -13.546 -6.887 1.00 0.00 H new ATOM 0 HE22 GLN A 3 4.510 -13.354 -8.627 1.00 0.00 H new ATOM 53 N GLU A 4 4.076 -8.678 -5.912 1.00 0.00 N ATOM 54 CA GLU A 4 4.030 -7.226 -5.831 1.00 0.00 C ATOM 55 C GLU A 4 2.680 -6.753 -6.370 1.00 0.00 C ATOM 56 O GLU A 4 2.155 -7.349 -7.310 1.00 0.00 O ATOM 57 CB GLU A 4 5.203 -6.628 -6.620 1.00 0.00 C ATOM 58 CG GLU A 4 5.242 -5.099 -6.508 1.00 0.00 C ATOM 59 CD GLU A 4 6.498 -4.519 -7.153 1.00 0.00 C ATOM 60 OE1 GLU A 4 7.587 -4.740 -6.582 1.00 0.00 O ATOM 61 OE2 GLU A 4 6.347 -3.865 -8.208 1.00 0.00 O ATOM 0 H GLU A 4 3.961 -9.025 -6.864 1.00 0.00 H new ATOM 0 HA GLU A 4 4.128 -6.891 -4.798 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.140 -7.044 -6.250 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.120 -6.914 -7.669 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.359 -4.676 -6.986 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.205 -4.810 -5.458 1.00 0.00 H new ATOM 68 N THR A 5 2.120 -5.695 -5.770 1.00 0.00 N ATOM 69 CA THR A 5 0.866 -5.092 -6.206 1.00 0.00 C ATOM 70 C THR A 5 0.941 -3.575 -6.060 1.00 0.00 C ATOM 71 O THR A 5 1.474 -3.068 -5.074 1.00 0.00 O ATOM 72 CB THR A 5 -0.326 -5.682 -5.434 1.00 0.00 C ATOM 73 OG1 THR A 5 -1.540 -5.171 -5.948 1.00 0.00 O ATOM 74 CG2 THR A 5 -0.279 -5.376 -3.931 1.00 0.00 C ATOM 0 H THR A 5 2.534 -5.233 -4.960 1.00 0.00 H new ATOM 0 HA THR A 5 0.709 -5.323 -7.259 1.00 0.00 H new ATOM 0 HB THR A 5 -0.266 -6.762 -5.564 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.208 -5.887 -5.981 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.147 -5.819 -3.442 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.632 -5.795 -3.503 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.289 -4.297 -3.779 1.00 0.00 H new ATOM 82 N VAL A 6 0.394 -2.866 -7.052 1.00 0.00 N ATOM 83 CA VAL A 6 0.243 -1.425 -7.056 1.00 0.00 C ATOM 84 C VAL A 6 -1.202 -1.118 -6.665 1.00 0.00 C ATOM 85 O VAL A 6 -2.137 -1.514 -7.360 1.00 0.00 O ATOM 86 CB VAL A 6 0.606 -0.850 -8.436 1.00 0.00 C ATOM 87 CG1 VAL A 6 0.518 0.683 -8.415 1.00 0.00 C ATOM 88 CG2 VAL A 6 2.030 -1.249 -8.845 1.00 0.00 C ATOM 0 H VAL A 6 0.034 -3.304 -7.900 1.00 0.00 H new ATOM 0 HA VAL A 6 0.920 -0.956 -6.342 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.104 -1.257 -9.156 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.778 1.076 -9.398 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.498 0.986 -8.160 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.212 1.077 -7.672 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.259 -0.828 -9.824 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.740 -0.867 -8.111 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.105 -2.335 -8.890 1.00 0.00 H new ATOM 98 N ILE A 7 -1.371 -0.410 -5.546 1.00 0.00 N ATOM 99 CA ILE A 7 -2.645 0.089 -5.057 1.00 0.00 C ATOM 100 C ILE A 7 -2.693 1.578 -5.404 1.00 0.00 C ATOM 101 O ILE A 7 -1.739 2.294 -5.117 1.00 0.00 O ATOM 102 CB ILE A 7 -2.725 -0.131 -3.531 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.462 -1.591 -3.107 1.00 0.00 C ATOM 104 CG2 ILE A 7 -4.064 0.358 -2.959 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.460 -2.607 -3.672 1.00 0.00 C ATOM 0 H ILE A 7 -0.591 -0.163 -4.937 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.490 -0.430 -5.510 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.920 0.470 -3.108 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.458 -1.873 -3.424 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.481 -1.649 -2.019 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.084 0.187 -1.883 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.178 1.423 -3.159 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.882 -0.189 -3.429 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.199 -3.606 -3.323 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -4.465 -2.356 -3.334 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.426 -2.583 -4.761 1.00 0.00 H new ATOM 117 N ASN A 8 -3.785 2.052 -6.012 1.00 0.00 N ATOM 118 CA ASN A 8 -4.038 3.476 -6.194 1.00 0.00 C ATOM 119 C ASN A 8 -4.381 4.065 -4.829 1.00 0.00 C ATOM 120 O ASN A 8 -5.286 3.561 -4.166 1.00 0.00 O ATOM 121 CB ASN A 8 -5.214 3.704 -7.151 1.00 0.00 C ATOM 122 CG ASN A 8 -5.009 3.040 -8.506 1.00 0.00 C ATOM 123 OD1 ASN A 8 -5.721 2.099 -8.848 1.00 0.00 O ATOM 124 ND2 ASN A 8 -4.031 3.519 -9.277 1.00 0.00 N ATOM 0 H ASN A 8 -4.518 1.453 -6.391 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.155 3.953 -6.620 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -6.126 3.318 -6.697 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -5.358 4.775 -7.294 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -3.851 3.102 -10.190 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.464 4.302 -8.953 1.00 0.00 H new ATOM 131 N ILE A 9 -3.658 5.111 -4.416 1.00 0.00 N ATOM 132 CA ILE A 9 -3.825 5.775 -3.132 1.00 0.00 C ATOM 133 C ILE A 9 -3.993 7.263 -3.417 1.00 0.00 C ATOM 134 O ILE A 9 -3.014 8.007 -3.449 1.00 0.00 O ATOM 135 CB ILE A 9 -2.626 5.489 -2.206 1.00 0.00 C ATOM 136 CG1 ILE A 9 -2.412 3.973 -2.052 1.00 0.00 C ATOM 137 CG2 ILE A 9 -2.869 6.150 -0.839 1.00 0.00 C ATOM 138 CD1 ILE A 9 -1.337 3.612 -1.025 1.00 0.00 C ATOM 0 H ILE A 9 -2.921 5.526 -4.986 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.703 5.400 -2.606 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.722 5.909 -2.647 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.354 3.509 -1.760 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.136 3.553 -3.019 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.023 5.949 -0.182 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.979 7.226 -0.970 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.777 5.743 -0.395 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.238 2.528 -0.967 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.385 4.048 -1.327 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.621 4.003 -0.048 1.00 0.00 H new ATOM 150 N ASP A 10 -5.241 7.692 -3.627 1.00 0.00 N ATOM 151 CA ASP A 10 -5.567 9.083 -3.906 1.00 0.00 C ATOM 152 C ASP A 10 -6.072 9.761 -2.632 1.00 0.00 C ATOM 153 O ASP A 10 -6.502 9.098 -1.687 1.00 0.00 O ATOM 154 CB ASP A 10 -6.572 9.164 -5.060 1.00 0.00 C ATOM 155 CG ASP A 10 -6.009 8.527 -6.329 1.00 0.00 C ATOM 156 OD1 ASP A 10 -5.283 9.243 -7.052 1.00 0.00 O ATOM 157 OD2 ASP A 10 -6.311 7.333 -6.551 1.00 0.00 O ATOM 0 H ASP A 10 -6.054 7.076 -3.607 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.674 9.621 -4.224 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.496 8.661 -4.777 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.823 10.207 -5.254 1.00 0.00 H new ATOM 162 N GLY A 11 -5.999 11.095 -2.610 1.00 0.00 N ATOM 163 CA GLY A 11 -6.384 11.908 -1.467 1.00 0.00 C ATOM 164 C GLY A 11 -5.261 12.050 -0.436 1.00 0.00 C ATOM 165 O GLY A 11 -5.540 12.376 0.716 1.00 0.00 O ATOM 0 H GLY A 11 -5.664 11.643 -3.402 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.680 12.898 -1.814 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.257 11.464 -0.988 1.00 0.00 H new ATOM 169 N MET A 12 -3.998 11.834 -0.837 1.00 0.00 N ATOM 170 CA MET A 12 -2.849 12.148 0.000 1.00 0.00 C ATOM 171 C MET A 12 -2.586 13.649 -0.099 1.00 0.00 C ATOM 172 O MET A 12 -2.495 14.192 -1.199 1.00 0.00 O ATOM 173 CB MET A 12 -1.610 11.357 -0.434 1.00 0.00 C ATOM 174 CG MET A 12 -1.731 9.866 -0.106 1.00 0.00 C ATOM 175 SD MET A 12 -0.167 8.952 -0.187 1.00 0.00 S ATOM 176 CE MET A 12 -0.001 8.732 -1.972 1.00 0.00 C ATOM 0 H MET A 12 -3.755 11.439 -1.746 1.00 0.00 H new ATOM 0 HA MET A 12 -3.063 11.867 1.031 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.460 11.480 -1.507 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.729 11.766 0.060 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.149 9.759 0.895 1.00 0.00 H new ATOM 0 HG3 MET A 12 -2.440 9.411 -0.797 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.022 8.959 -2.273 1.00 0.00 H new ATOM 0 HE2 MET A 12 -0.236 7.701 -2.235 1.00 0.00 H new ATOM 0 HE3 MET A 12 -0.688 9.404 -2.487 1.00 0.00 H new ATOM 186 N THR A 13 -2.476 14.314 1.054 1.00 0.00 N ATOM 187 CA THR A 13 -2.339 15.760 1.137 1.00 0.00 C ATOM 188 C THR A 13 -0.879 16.182 0.971 1.00 0.00 C ATOM 189 O THR A 13 -0.606 17.162 0.281 1.00 0.00 O ATOM 190 CB THR A 13 -2.916 16.270 2.466 1.00 0.00 C ATOM 191 OG1 THR A 13 -2.291 15.637 3.564 1.00 0.00 O ATOM 192 CG2 THR A 13 -4.429 16.036 2.544 1.00 0.00 C ATOM 0 H THR A 13 -2.480 13.853 1.964 1.00 0.00 H new ATOM 0 HA THR A 13 -2.905 16.210 0.321 1.00 0.00 H new ATOM 0 HB THR A 13 -2.722 17.342 2.509 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.673 15.978 4.399 1.00 0.00 H new ATOM 0 HG21 THR A 13 -4.806 16.408 3.497 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.921 16.564 1.728 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.637 14.969 2.463 1.00 0.00 H new ATOM 200 N CYS A 14 0.055 15.459 1.605 1.00 0.00 N ATOM 201 CA CYS A 14 1.466 15.837 1.618 1.00 0.00 C ATOM 202 C CYS A 14 2.349 14.628 1.953 1.00 0.00 C ATOM 203 O CYS A 14 1.850 13.525 2.176 1.00 0.00 O ATOM 204 CB CYS A 14 1.683 16.984 2.622 1.00 0.00 C ATOM 205 SG CYS A 14 1.570 16.419 4.333 1.00 0.00 S ATOM 0 H CYS A 14 -0.149 14.602 2.119 1.00 0.00 H new ATOM 0 HA CYS A 14 1.753 16.185 0.626 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.662 17.433 2.453 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.941 17.763 2.448 1.00 0.00 H new ATOM 0 HG CYS A 14 1.763 17.424 5.135 1.00 0.00 H new ATOM 210 N ASN A 15 3.668 14.858 1.992 1.00 0.00 N ATOM 211 CA ASN A 15 4.699 13.859 2.261 1.00 0.00 C ATOM 212 C ASN A 15 4.478 13.086 3.567 1.00 0.00 C ATOM 213 O ASN A 15 4.858 11.921 3.657 1.00 0.00 O ATOM 214 CB ASN A 15 6.084 14.521 2.253 1.00 0.00 C ATOM 215 CG ASN A 15 6.296 15.452 3.448 1.00 0.00 C ATOM 216 OD1 ASN A 15 6.854 15.044 4.463 1.00 0.00 O ATOM 217 ND2 ASN A 15 5.854 16.707 3.334 1.00 0.00 N ATOM 0 H ASN A 15 4.058 15.787 1.829 1.00 0.00 H new ATOM 0 HA ASN A 15 4.636 13.121 1.461 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.852 13.748 2.258 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.207 15.087 1.330 1.00 0.00 H new ATOM 0 HD21 ASN A 15 5.975 17.363 4.106 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.395 17.010 2.475 1.00 0.00 H new ATOM 224 N SER A 16 3.869 13.720 4.577 1.00 0.00 N ATOM 225 CA SER A 16 3.545 13.082 5.845 1.00 0.00 C ATOM 226 C SER A 16 2.716 11.813 5.635 1.00 0.00 C ATOM 227 O SER A 16 2.936 10.821 6.326 1.00 0.00 O ATOM 228 CB SER A 16 2.803 14.067 6.752 1.00 0.00 C ATOM 229 OG SER A 16 3.548 15.261 6.877 1.00 0.00 O ATOM 0 H SER A 16 3.588 14.699 4.530 1.00 0.00 H new ATOM 0 HA SER A 16 4.478 12.789 6.327 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.818 14.284 6.339 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.645 13.622 7.734 1.00 0.00 H new ATOM 0 HG SER A 16 3.227 15.917 6.223 1.00 0.00 H new ATOM 235 N CYS A 17 1.776 11.835 4.680 1.00 0.00 N ATOM 236 CA CYS A 17 0.961 10.675 4.348 1.00 0.00 C ATOM 237 C CYS A 17 1.839 9.554 3.798 1.00 0.00 C ATOM 238 O CYS A 17 1.735 8.421 4.257 1.00 0.00 O ATOM 239 CB CYS A 17 -0.121 11.042 3.331 1.00 0.00 C ATOM 240 SG CYS A 17 -1.252 12.356 3.841 1.00 0.00 S ATOM 0 H CYS A 17 1.565 12.661 4.120 1.00 0.00 H new ATOM 0 HA CYS A 17 0.472 10.330 5.259 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.364 11.344 2.403 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.705 10.149 3.109 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.321 11.831 4.361 1.00 0.00 H new ATOM 245 N VAL A 18 2.705 9.875 2.828 1.00 0.00 N ATOM 246 CA VAL A 18 3.635 8.933 2.212 1.00 0.00 C ATOM 247 C VAL A 18 4.442 8.218 3.302 1.00 0.00 C ATOM 248 O VAL A 18 4.494 6.989 3.332 1.00 0.00 O ATOM 249 CB VAL A 18 4.544 9.669 1.204 1.00 0.00 C ATOM 250 CG1 VAL A 18 5.505 8.715 0.488 1.00 0.00 C ATOM 251 CG2 VAL A 18 3.724 10.400 0.133 1.00 0.00 C ATOM 0 H VAL A 18 2.776 10.818 2.445 1.00 0.00 H new ATOM 0 HA VAL A 18 3.082 8.175 1.657 1.00 0.00 H new ATOM 0 HB VAL A 18 5.115 10.386 1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.124 9.278 -0.211 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.143 8.223 1.222 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.933 7.964 -0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.398 10.906 -0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.116 9.680 -0.415 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.075 11.134 0.610 1.00 0.00 H new ATOM 261 N GLN A 19 5.047 9.007 4.200 1.00 0.00 N ATOM 262 CA GLN A 19 5.843 8.543 5.327 1.00 0.00 C ATOM 263 C GLN A 19 5.035 7.630 6.257 1.00 0.00 C ATOM 264 O GLN A 19 5.508 6.558 6.634 1.00 0.00 O ATOM 265 CB GLN A 19 6.389 9.767 6.074 1.00 0.00 C ATOM 266 CG GLN A 19 7.340 9.376 7.210 1.00 0.00 C ATOM 267 CD GLN A 19 7.919 10.613 7.892 1.00 0.00 C ATOM 268 OE1 GLN A 19 9.110 10.890 7.778 1.00 0.00 O ATOM 269 NE2 GLN A 19 7.075 11.361 8.606 1.00 0.00 N ATOM 0 H GLN A 19 4.989 10.024 4.153 1.00 0.00 H new ATOM 0 HA GLN A 19 6.673 7.941 4.958 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.912 10.415 5.371 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.558 10.343 6.481 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.807 8.769 7.942 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.150 8.762 6.816 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.092 11.096 8.676 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.413 12.198 9.082 1.00 0.00 H new ATOM 278 N SER A 20 3.823 8.054 6.633 1.00 0.00 N ATOM 279 CA SER A 20 2.960 7.294 7.528 1.00 0.00 C ATOM 280 C SER A 20 2.614 5.934 6.924 1.00 0.00 C ATOM 281 O SER A 20 2.769 4.911 7.586 1.00 0.00 O ATOM 282 CB SER A 20 1.688 8.087 7.845 1.00 0.00 C ATOM 283 OG SER A 20 2.010 9.289 8.511 1.00 0.00 O ATOM 0 H SER A 20 3.417 8.936 6.321 1.00 0.00 H new ATOM 0 HA SER A 20 3.499 7.121 8.459 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.150 8.308 6.923 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.023 7.487 8.466 1.00 0.00 H new ATOM 0 HG SER A 20 2.357 9.938 7.864 1.00 0.00 H new ATOM 289 N ILE A 21 2.145 5.927 5.671 1.00 0.00 N ATOM 290 CA ILE A 21 1.704 4.724 4.983 1.00 0.00 C ATOM 291 C ILE A 21 2.858 3.729 4.878 1.00 0.00 C ATOM 292 O ILE A 21 2.705 2.594 5.321 1.00 0.00 O ATOM 293 CB ILE A 21 1.103 5.069 3.609 1.00 0.00 C ATOM 294 CG1 ILE A 21 -0.167 5.928 3.764 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.736 3.783 2.851 1.00 0.00 C ATOM 296 CD1 ILE A 21 -0.473 6.689 2.472 1.00 0.00 C ATOM 0 H ILE A 21 2.063 6.772 5.105 1.00 0.00 H new ATOM 0 HA ILE A 21 0.912 4.250 5.562 1.00 0.00 H new ATOM 0 HB ILE A 21 1.853 5.630 3.051 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.012 5.291 4.024 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.036 6.634 4.584 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.312 4.041 1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.631 3.178 2.706 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.005 3.217 3.428 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.374 7.288 2.607 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.364 7.343 2.228 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.628 5.979 1.660 1.00 0.00 H new ATOM 308 N GLU A 22 4.001 4.133 4.304 1.00 0.00 N ATOM 309 CA GLU A 22 5.117 3.212 4.114 1.00 0.00 C ATOM 310 C GLU A 22 5.558 2.606 5.451 1.00 0.00 C ATOM 311 O GLU A 22 5.751 1.394 5.543 1.00 0.00 O ATOM 312 CB GLU A 22 6.267 3.862 3.325 1.00 0.00 C ATOM 313 CG GLU A 22 7.057 4.915 4.106 1.00 0.00 C ATOM 314 CD GLU A 22 8.078 5.612 3.214 1.00 0.00 C ATOM 315 OE1 GLU A 22 9.136 4.994 2.967 1.00 0.00 O ATOM 316 OE2 GLU A 22 7.784 6.749 2.787 1.00 0.00 O ATOM 0 H GLU A 22 4.170 5.081 3.969 1.00 0.00 H new ATOM 0 HA GLU A 22 4.776 2.381 3.496 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.953 3.081 2.997 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.858 4.325 2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.371 5.652 4.523 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.566 4.442 4.946 1.00 0.00 H new ATOM 323 N GLY A 23 5.685 3.446 6.487 1.00 0.00 N ATOM 324 CA GLY A 23 6.071 3.028 7.823 1.00 0.00 C ATOM 325 C GLY A 23 5.116 1.972 8.376 1.00 0.00 C ATOM 326 O GLY A 23 5.536 0.854 8.660 1.00 0.00 O ATOM 0 H GLY A 23 5.518 4.449 6.409 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.085 2.628 7.802 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.083 3.893 8.487 1.00 0.00 H new ATOM 330 N VAL A 24 3.835 2.330 8.527 1.00 0.00 N ATOM 331 CA VAL A 24 2.814 1.478 9.124 1.00 0.00 C ATOM 332 C VAL A 24 2.658 0.174 8.336 1.00 0.00 C ATOM 333 O VAL A 24 2.783 -0.910 8.906 1.00 0.00 O ATOM 334 CB VAL A 24 1.487 2.257 9.221 1.00 0.00 C ATOM 335 CG1 VAL A 24 0.314 1.355 9.633 1.00 0.00 C ATOM 336 CG2 VAL A 24 1.607 3.388 10.253 1.00 0.00 C ATOM 0 H VAL A 24 3.478 3.238 8.230 1.00 0.00 H new ATOM 0 HA VAL A 24 3.121 1.199 10.132 1.00 0.00 H new ATOM 0 HB VAL A 24 1.289 2.660 8.228 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.599 1.948 9.688 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.188 0.562 8.895 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.519 0.914 10.608 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.663 3.929 10.311 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.844 2.966 11.230 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.400 4.073 9.952 1.00 0.00 H new ATOM 346 N ILE A 25 2.375 0.282 7.033 1.00 0.00 N ATOM 347 CA ILE A 25 2.021 -0.856 6.197 1.00 0.00 C ATOM 348 C ILE A 25 3.167 -1.868 6.097 1.00 0.00 C ATOM 349 O ILE A 25 2.895 -3.065 6.030 1.00 0.00 O ATOM 350 CB ILE A 25 1.497 -0.386 4.828 1.00 0.00 C ATOM 351 CG1 ILE A 25 0.258 0.526 4.951 1.00 0.00 C ATOM 352 CG2 ILE A 25 1.173 -1.573 3.910 1.00 0.00 C ATOM 353 CD1 ILE A 25 -0.994 -0.146 5.527 1.00 0.00 C ATOM 0 H ILE A 25 2.387 1.170 6.532 1.00 0.00 H new ATOM 0 HA ILE A 25 1.202 -1.393 6.676 1.00 0.00 H new ATOM 0 HB ILE A 25 2.303 0.198 4.384 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.515 1.378 5.580 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.017 0.920 3.964 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.806 -1.203 2.953 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.074 -2.165 3.749 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.409 -2.195 4.376 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.807 0.578 5.572 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.286 -0.980 4.889 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.780 -0.515 6.530 1.00 0.00 H new ATOM 365 N SER A 26 4.431 -1.417 6.110 1.00 0.00 N ATOM 366 CA SER A 26 5.590 -2.308 6.081 1.00 0.00 C ATOM 367 C SER A 26 5.526 -3.413 7.147 1.00 0.00 C ATOM 368 O SER A 26 5.969 -4.529 6.882 1.00 0.00 O ATOM 369 CB SER A 26 6.888 -1.499 6.192 1.00 0.00 C ATOM 370 OG SER A 26 8.013 -2.354 6.175 1.00 0.00 O ATOM 0 H SER A 26 4.673 -0.427 6.141 1.00 0.00 H new ATOM 0 HA SER A 26 5.575 -2.820 5.119 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.952 -0.790 5.367 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.882 -0.917 7.113 1.00 0.00 H new ATOM 0 HG SER A 26 7.912 -3.013 5.457 1.00 0.00 H new ATOM 376 N LYS A 27 4.974 -3.121 8.336 1.00 0.00 N ATOM 377 CA LYS A 27 4.941 -4.062 9.453 1.00 0.00 C ATOM 378 C LYS A 27 3.687 -4.949 9.436 1.00 0.00 C ATOM 379 O LYS A 27 3.588 -5.855 10.263 1.00 0.00 O ATOM 380 CB LYS A 27 5.031 -3.314 10.796 1.00 0.00 C ATOM 381 CG LYS A 27 6.417 -2.731 11.110 1.00 0.00 C ATOM 382 CD LYS A 27 6.673 -1.400 10.400 1.00 0.00 C ATOM 383 CE LYS A 27 8.001 -0.783 10.845 1.00 0.00 C ATOM 384 NZ LYS A 27 8.262 0.480 10.134 1.00 0.00 N ATOM 0 H LYS A 27 4.539 -2.222 8.544 1.00 0.00 H new ATOM 0 HA LYS A 27 5.808 -4.713 9.339 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.302 -2.504 10.795 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.748 -3.997 11.597 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.511 -2.588 12.186 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.183 -3.448 10.816 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.685 -1.556 9.321 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.858 -0.708 10.613 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.980 -0.602 11.920 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.813 -1.485 10.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.072 0.357 9.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.422 0.748 9.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.476 1.229 10.823 1.00 0.00 H new ATOM 398 N LYS A 28 2.731 -4.720 8.525 1.00 0.00 N ATOM 399 CA LYS A 28 1.511 -5.519 8.471 1.00 0.00 C ATOM 400 C LYS A 28 1.838 -6.953 8.026 1.00 0.00 C ATOM 401 O LYS A 28 2.771 -7.138 7.245 1.00 0.00 O ATOM 402 CB LYS A 28 0.491 -4.880 7.518 1.00 0.00 C ATOM 403 CG LYS A 28 0.002 -3.508 8.000 1.00 0.00 C ATOM 404 CD LYS A 28 -0.987 -3.605 9.167 1.00 0.00 C ATOM 405 CE LYS A 28 -1.463 -2.203 9.557 1.00 0.00 C ATOM 406 NZ LYS A 28 -2.426 -2.254 10.669 1.00 0.00 N ATOM 0 H LYS A 28 2.784 -3.987 7.818 1.00 0.00 H new ATOM 0 HA LYS A 28 1.072 -5.554 9.468 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.941 -4.774 6.531 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.364 -5.547 7.409 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.860 -2.909 8.306 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.473 -2.985 7.170 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.839 -4.223 8.884 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.511 -4.089 10.020 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.606 -1.593 9.843 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.925 -1.721 8.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.730 -1.289 10.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.254 -2.817 10.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.976 -2.692 11.498 1.00 0.00 H new ATOM 420 N PRO A 29 1.090 -7.967 8.503 1.00 0.00 N ATOM 421 CA PRO A 29 1.260 -9.361 8.113 1.00 0.00 C ATOM 422 C PRO A 29 1.407 -9.538 6.602 1.00 0.00 C ATOM 423 O PRO A 29 0.634 -8.971 5.831 1.00 0.00 O ATOM 424 CB PRO A 29 0.018 -10.089 8.632 1.00 0.00 C ATOM 425 CG PRO A 29 -0.340 -9.288 9.880 1.00 0.00 C ATOM 426 CD PRO A 29 0.019 -7.855 9.484 1.00 0.00 C ATOM 0 HA PRO A 29 2.180 -9.765 8.535 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.790 -10.083 7.901 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.228 -11.133 8.867 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.396 -9.384 10.132 1.00 0.00 H new ATOM 0 HG3 PRO A 29 0.227 -9.621 10.749 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.844 -7.339 9.063 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.343 -7.280 10.351 1.00 0.00 H new ATOM 434 N GLY A 30 2.412 -10.314 6.184 1.00 0.00 N ATOM 435 CA GLY A 30 2.666 -10.605 4.784 1.00 0.00 C ATOM 436 C GLY A 30 3.543 -9.556 4.107 1.00 0.00 C ATOM 437 O GLY A 30 4.391 -9.923 3.296 1.00 0.00 O ATOM 0 H GLY A 30 3.074 -10.758 6.820 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.147 -11.580 4.703 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.716 -10.673 4.254 1.00 0.00 H new ATOM 441 N VAL A 31 3.343 -8.268 4.421 1.00 0.00 N ATOM 442 CA VAL A 31 4.085 -7.177 3.804 1.00 0.00 C ATOM 443 C VAL A 31 5.553 -7.233 4.221 1.00 0.00 C ATOM 444 O VAL A 31 5.868 -7.570 5.361 1.00 0.00 O ATOM 445 CB VAL A 31 3.472 -5.809 4.154 1.00 0.00 C ATOM 446 CG1 VAL A 31 4.208 -4.689 3.406 1.00 0.00 C ATOM 447 CG2 VAL A 31 1.994 -5.758 3.761 1.00 0.00 C ATOM 0 H VAL A 31 2.659 -7.961 5.112 1.00 0.00 H new ATOM 0 HA VAL A 31 4.022 -7.298 2.723 1.00 0.00 H new ATOM 0 HB VAL A 31 3.570 -5.670 5.231 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.764 -3.727 3.663 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.260 -4.691 3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.123 -4.852 2.332 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.583 -4.782 4.018 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.897 -5.921 2.688 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.448 -6.534 4.297 1.00 0.00 H new ATOM 457 N LYS A 32 6.438 -6.891 3.279 1.00 0.00 N ATOM 458 CA LYS A 32 7.868 -6.764 3.494 1.00 0.00 C ATOM 459 C LYS A 32 8.245 -5.307 3.217 1.00 0.00 C ATOM 460 O LYS A 32 8.118 -4.465 4.106 1.00 0.00 O ATOM 461 CB LYS A 32 8.607 -7.782 2.611 1.00 0.00 C ATOM 462 CG LYS A 32 8.248 -9.213 3.034 1.00 0.00 C ATOM 463 CD LYS A 32 8.925 -10.243 2.123 1.00 0.00 C ATOM 464 CE LYS A 32 8.594 -11.675 2.560 1.00 0.00 C ATOM 465 NZ LYS A 32 7.152 -11.961 2.476 1.00 0.00 N ATOM 0 H LYS A 32 6.162 -6.690 2.318 1.00 0.00 H new ATOM 0 HA LYS A 32 8.160 -6.993 4.519 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.341 -7.627 1.565 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.683 -7.631 2.692 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.555 -9.378 4.067 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.167 -9.346 2.998 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.601 -10.090 1.094 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.005 -10.095 2.142 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.140 -12.380 1.933 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.935 -11.829 3.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.993 -12.981 2.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.651 -11.440 3.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.793 -11.664 1.546 1.00 0.00 H new ATOM 479 N SER A 33 8.697 -5.006 1.994 1.00 0.00 N ATOM 480 CA SER A 33 9.006 -3.655 1.555 1.00 0.00 C ATOM 481 C SER A 33 7.770 -3.013 0.921 1.00 0.00 C ATOM 482 O SER A 33 6.859 -3.706 0.468 1.00 0.00 O ATOM 483 CB SER A 33 10.208 -3.688 0.604 1.00 0.00 C ATOM 484 OG SER A 33 10.000 -4.608 -0.446 1.00 0.00 O ATOM 0 H SER A 33 8.858 -5.712 1.275 1.00 0.00 H new ATOM 0 HA SER A 33 9.281 -3.036 2.409 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.377 -2.693 0.192 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.106 -3.960 1.158 1.00 0.00 H new ATOM 0 HG SER A 33 9.392 -4.217 -1.108 1.00 0.00 H new ATOM 490 N ILE A 34 7.746 -1.678 0.899 1.00 0.00 N ATOM 491 CA ILE A 34 6.704 -0.884 0.270 1.00 0.00 C ATOM 492 C ILE A 34 7.314 0.438 -0.199 1.00 0.00 C ATOM 493 O ILE A 34 8.203 0.972 0.463 1.00 0.00 O ATOM 494 CB ILE A 34 5.508 -0.697 1.227 1.00 0.00 C ATOM 495 CG1 ILE A 34 4.440 0.198 0.574 1.00 0.00 C ATOM 496 CG2 ILE A 34 5.945 -0.139 2.589 1.00 0.00 C ATOM 497 CD1 ILE A 34 3.142 0.284 1.381 1.00 0.00 C ATOM 0 H ILE A 34 8.474 -1.110 1.332 1.00 0.00 H new ATOM 0 HA ILE A 34 6.305 -1.398 -0.604 1.00 0.00 H new ATOM 0 HB ILE A 34 5.072 -1.678 1.415 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.846 1.201 0.446 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.215 -0.185 -0.422 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.072 -0.023 3.232 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.650 -0.828 3.055 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.424 0.830 2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.434 0.931 0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.713 -0.712 1.487 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.354 0.695 2.368 1.00 0.00 H new ATOM 509 N ARG A 35 6.832 0.958 -1.336 1.00 0.00 N ATOM 510 CA ARG A 35 7.242 2.243 -1.885 1.00 0.00 C ATOM 511 C ARG A 35 5.997 3.046 -2.264 1.00 0.00 C ATOM 512 O ARG A 35 5.324 2.723 -3.242 1.00 0.00 O ATOM 513 CB ARG A 35 8.178 2.021 -3.081 1.00 0.00 C ATOM 514 CG ARG A 35 8.689 3.317 -3.732 1.00 0.00 C ATOM 515 CD ARG A 35 9.521 4.194 -2.787 1.00 0.00 C ATOM 516 NE ARG A 35 8.677 5.078 -1.966 1.00 0.00 N ATOM 517 CZ ARG A 35 8.808 5.334 -0.652 1.00 0.00 C ATOM 518 NH1 ARG A 35 9.747 4.743 0.099 1.00 0.00 N ATOM 519 NH2 ARG A 35 7.966 6.204 -0.081 1.00 0.00 N ATOM 0 H ARG A 35 6.133 0.482 -1.906 1.00 0.00 H new ATOM 0 HA ARG A 35 7.797 2.816 -1.142 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.034 1.431 -2.753 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.654 1.432 -3.834 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.293 3.062 -4.603 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.837 3.893 -4.092 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.120 3.558 -2.136 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.217 4.797 -3.371 1.00 0.00 H new ATOM 0 HE ARG A 35 7.909 5.548 -2.446 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.392 4.075 -0.323 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.817 4.961 1.093 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.244 6.657 -0.641 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.047 6.414 0.914 1.00 0.00 H new ATOM 533 N VAL A 36 5.701 4.089 -1.480 1.00 0.00 N ATOM 534 CA VAL A 36 4.566 4.983 -1.672 1.00 0.00 C ATOM 535 C VAL A 36 5.037 6.236 -2.416 1.00 0.00 C ATOM 536 O VAL A 36 6.192 6.638 -2.280 1.00 0.00 O ATOM 537 CB VAL A 36 3.933 5.303 -0.303 1.00 0.00 C ATOM 538 CG1 VAL A 36 2.644 6.125 -0.445 1.00 0.00 C ATOM 539 CG2 VAL A 36 3.590 4.018 0.460 1.00 0.00 C ATOM 0 H VAL A 36 6.267 4.338 -0.669 1.00 0.00 H new ATOM 0 HA VAL A 36 3.795 4.512 -2.281 1.00 0.00 H new ATOM 0 HB VAL A 36 4.675 5.883 0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.231 6.328 0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.867 7.067 -0.946 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.918 5.564 -1.033 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.145 4.274 1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.882 3.427 -0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.498 3.438 0.623 1.00 0.00 H new ATOM 549 N SER A 37 4.153 6.850 -3.213 1.00 0.00 N ATOM 550 CA SER A 37 4.470 8.042 -3.990 1.00 0.00 C ATOM 551 C SER A 37 3.251 8.958 -4.070 1.00 0.00 C ATOM 552 O SER A 37 2.197 8.540 -4.545 1.00 0.00 O ATOM 553 CB SER A 37 4.943 7.630 -5.388 1.00 0.00 C ATOM 554 OG SER A 37 5.093 8.766 -6.216 1.00 0.00 O ATOM 0 H SER A 37 3.193 6.527 -3.333 1.00 0.00 H new ATOM 0 HA SER A 37 5.272 8.594 -3.500 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.892 7.098 -5.315 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.225 6.941 -5.833 1.00 0.00 H new ATOM 0 HG SER A 37 5.545 8.508 -7.046 1.00 0.00 H new ATOM 560 N LEU A 38 3.417 10.209 -3.620 1.00 0.00 N ATOM 561 CA LEU A 38 2.436 11.278 -3.757 1.00 0.00 C ATOM 562 C LEU A 38 2.277 11.654 -5.231 1.00 0.00 C ATOM 563 O LEU A 38 1.155 11.774 -5.719 1.00 0.00 O ATOM 564 CB LEU A 38 2.887 12.481 -2.914 1.00 0.00 C ATOM 565 CG LEU A 38 1.981 13.721 -3.019 1.00 0.00 C ATOM 566 CD1 LEU A 38 0.561 13.439 -2.518 1.00 0.00 C ATOM 567 CD2 LEU A 38 2.589 14.852 -2.182 1.00 0.00 C ATOM 0 H LEU A 38 4.265 10.507 -3.137 1.00 0.00 H new ATOM 0 HA LEU A 38 1.463 10.945 -3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.940 12.175 -1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.897 12.760 -3.216 1.00 0.00 H new ATOM 0 HG LEU A 38 1.916 14.002 -4.070 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.043 14.341 -2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.117 12.642 -3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.598 13.133 -1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.955 15.736 -2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.662 14.536 -1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.584 15.090 -2.559 1.00 0.00 H new ATOM 579 N ALA A 39 3.407 11.832 -5.929 1.00 0.00 N ATOM 580 CA ALA A 39 3.462 12.202 -7.338 1.00 0.00 C ATOM 581 C ALA A 39 2.622 11.261 -8.203 1.00 0.00 C ATOM 582 O ALA A 39 1.895 11.719 -9.082 1.00 0.00 O ATOM 583 CB ALA A 39 4.920 12.209 -7.805 1.00 0.00 C ATOM 0 H ALA A 39 4.331 11.718 -5.511 1.00 0.00 H new ATOM 0 HA ALA A 39 3.040 13.201 -7.449 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.963 12.485 -8.858 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.487 12.931 -7.217 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.349 11.216 -7.673 1.00 0.00 H new ATOM 589 N ASN A 40 2.714 9.953 -7.940 1.00 0.00 N ATOM 590 CA ASN A 40 1.957 8.935 -8.659 1.00 0.00 C ATOM 591 C ASN A 40 0.602 8.680 -7.992 1.00 0.00 C ATOM 592 O ASN A 40 -0.300 8.156 -8.642 1.00 0.00 O ATOM 593 CB ASN A 40 2.756 7.628 -8.690 1.00 0.00 C ATOM 594 CG ASN A 40 4.138 7.766 -9.325 1.00 0.00 C ATOM 595 OD1 ASN A 40 4.384 8.664 -10.127 1.00 0.00 O ATOM 596 ND2 ASN A 40 5.053 6.866 -8.960 1.00 0.00 N ATOM 0 H ASN A 40 3.323 9.573 -7.215 1.00 0.00 H new ATOM 0 HA ASN A 40 1.783 9.294 -9.673 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.870 7.258 -7.671 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.187 6.878 -9.240 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.995 6.909 -9.350 1.00 0.00 H new ATOM 0 HD22 ASN A 40 4.811 6.135 -8.291 1.00 0.00 H new ATOM 603 N SER A 41 0.464 9.032 -6.705 1.00 0.00 N ATOM 604 CA SER A 41 -0.706 8.764 -5.881 1.00 0.00 C ATOM 605 C SER A 41 -0.981 7.260 -5.846 1.00 0.00 C ATOM 606 O SER A 41 -2.064 6.807 -6.215 1.00 0.00 O ATOM 607 CB SER A 41 -1.905 9.604 -6.343 1.00 0.00 C ATOM 608 OG SER A 41 -1.623 10.977 -6.158 1.00 0.00 O ATOM 0 H SER A 41 1.196 9.529 -6.198 1.00 0.00 H new ATOM 0 HA SER A 41 -0.514 9.071 -4.853 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.118 9.405 -7.393 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.795 9.326 -5.779 1.00 0.00 H new ATOM 0 HG SER A 41 -0.674 11.090 -5.942 1.00 0.00 H new ATOM 614 N ASN A 42 0.023 6.491 -5.403 1.00 0.00 N ATOM 615 CA ASN A 42 -0.044 5.038 -5.345 1.00 0.00 C ATOM 616 C ASN A 42 0.866 4.476 -4.251 1.00 0.00 C ATOM 617 O ASN A 42 1.658 5.206 -3.654 1.00 0.00 O ATOM 618 CB ASN A 42 0.245 4.426 -6.728 1.00 0.00 C ATOM 619 CG ASN A 42 1.696 4.544 -7.202 1.00 0.00 C ATOM 620 OD1 ASN A 42 2.570 5.039 -6.496 1.00 0.00 O ATOM 621 ND2 ASN A 42 1.959 4.074 -8.422 1.00 0.00 N ATOM 0 H ASN A 42 0.910 6.871 -5.073 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.060 4.752 -5.072 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.028 3.371 -6.705 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.401 4.907 -7.463 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.908 4.120 -8.793 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.211 3.668 -8.984 1.00 0.00 H new ATOM 628 N GLY A 43 0.735 3.167 -4.012 1.00 0.00 N ATOM 629 CA GLY A 43 1.519 2.388 -3.071 1.00 0.00 C ATOM 630 C GLY A 43 1.893 1.061 -3.720 1.00 0.00 C ATOM 631 O GLY A 43 1.016 0.247 -3.999 1.00 0.00 O ATOM 0 H GLY A 43 0.041 2.601 -4.499 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.418 2.935 -2.786 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.949 2.214 -2.159 1.00 0.00 H new ATOM 635 N THR A 44 3.194 0.850 -3.950 1.00 0.00 N ATOM 636 CA THR A 44 3.735 -0.347 -4.576 1.00 0.00 C ATOM 637 C THR A 44 4.243 -1.247 -3.452 1.00 0.00 C ATOM 638 O THR A 44 5.322 -1.015 -2.912 1.00 0.00 O ATOM 639 CB THR A 44 4.839 0.051 -5.568 1.00 0.00 C ATOM 640 OG1 THR A 44 4.309 0.949 -6.521 1.00 0.00 O ATOM 641 CG2 THR A 44 5.396 -1.170 -6.307 1.00 0.00 C ATOM 0 H THR A 44 3.912 1.528 -3.697 1.00 0.00 H new ATOM 0 HA THR A 44 2.985 -0.890 -5.151 1.00 0.00 H new ATOM 0 HB THR A 44 5.646 0.516 -5.002 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.011 1.206 -7.154 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.175 -0.852 -7.000 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.817 -1.871 -5.586 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.594 -1.657 -6.861 1.00 0.00 H new ATOM 649 N VAL A 45 3.435 -2.251 -3.090 1.00 0.00 N ATOM 650 CA VAL A 45 3.629 -3.093 -1.918 1.00 0.00 C ATOM 651 C VAL A 45 4.187 -4.448 -2.348 1.00 0.00 C ATOM 652 O VAL A 45 3.659 -5.046 -3.284 1.00 0.00 O ATOM 653 CB VAL A 45 2.288 -3.287 -1.183 1.00 0.00 C ATOM 654 CG1 VAL A 45 2.553 -3.825 0.229 1.00 0.00 C ATOM 655 CG2 VAL A 45 1.464 -1.995 -1.090 1.00 0.00 C ATOM 0 H VAL A 45 2.604 -2.502 -3.626 1.00 0.00 H new ATOM 0 HA VAL A 45 4.336 -2.611 -1.242 1.00 0.00 H new ATOM 0 HB VAL A 45 1.704 -3.999 -1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.605 -3.963 0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.073 -4.781 0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.170 -3.114 0.779 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.532 -2.195 -0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.032 -1.239 -0.548 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.242 -1.632 -2.094 1.00 0.00 H new ATOM 665 N GLU A 46 5.230 -4.932 -1.658 1.00 0.00 N ATOM 666 CA GLU A 46 5.781 -6.270 -1.823 1.00 0.00 C ATOM 667 C GLU A 46 5.286 -7.097 -0.636 1.00 0.00 C ATOM 668 O GLU A 46 5.474 -6.685 0.509 1.00 0.00 O ATOM 669 CB GLU A 46 7.315 -6.219 -1.863 1.00 0.00 C ATOM 670 CG GLU A 46 7.869 -5.481 -3.092 1.00 0.00 C ATOM 671 CD GLU A 46 7.626 -3.971 -3.059 1.00 0.00 C ATOM 672 OE1 GLU A 46 8.259 -3.306 -2.211 1.00 0.00 O ATOM 673 OE2 GLU A 46 6.811 -3.505 -3.883 1.00 0.00 O ATOM 0 H GLU A 46 5.721 -4.383 -0.953 1.00 0.00 H new ATOM 0 HA GLU A 46 5.458 -6.717 -2.763 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.679 -5.729 -0.960 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.705 -7.237 -1.853 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.941 -5.667 -3.165 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.412 -5.895 -3.991 1.00 0.00 H new ATOM 680 N TYR A 47 4.637 -8.238 -0.903 1.00 0.00 N ATOM 681 CA TYR A 47 3.915 -8.994 0.112 1.00 0.00 C ATOM 682 C TYR A 47 3.894 -10.496 -0.181 1.00 0.00 C ATOM 683 O TYR A 47 4.283 -10.924 -1.266 1.00 0.00 O ATOM 684 CB TYR A 47 2.480 -8.453 0.199 1.00 0.00 C ATOM 685 CG TYR A 47 1.636 -8.771 -1.025 1.00 0.00 C ATOM 686 CD1 TYR A 47 1.830 -8.060 -2.223 1.00 0.00 C ATOM 687 CD2 TYR A 47 0.671 -9.795 -0.977 1.00 0.00 C ATOM 688 CE1 TYR A 47 1.143 -8.440 -3.387 1.00 0.00 C ATOM 689 CE2 TYR A 47 -0.067 -10.126 -2.126 1.00 0.00 C ATOM 690 CZ TYR A 47 0.190 -9.469 -3.340 1.00 0.00 C ATOM 691 OH TYR A 47 -0.483 -9.832 -4.470 1.00 0.00 O ATOM 0 H TYR A 47 4.602 -8.658 -1.832 1.00 0.00 H new ATOM 0 HA TYR A 47 4.432 -8.868 1.063 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.996 -8.870 1.082 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.515 -7.372 0.335 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.509 -7.220 -2.248 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.497 -10.328 -0.054 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.349 -7.939 -4.321 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.832 -10.886 -2.075 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.104 -10.560 -4.261 1.00 0.00 H new ATOM 701 N ASP A 48 3.414 -11.279 0.795 1.00 0.00 N ATOM 702 CA ASP A 48 3.162 -12.711 0.681 1.00 0.00 C ATOM 703 C ASP A 48 1.657 -12.952 0.472 1.00 0.00 C ATOM 704 O ASP A 48 0.885 -12.703 1.398 1.00 0.00 O ATOM 705 CB ASP A 48 3.651 -13.408 1.960 1.00 0.00 C ATOM 706 CG ASP A 48 3.462 -14.928 1.961 1.00 0.00 C ATOM 707 OD1 ASP A 48 2.934 -15.466 0.963 1.00 0.00 O ATOM 708 OD2 ASP A 48 3.856 -15.535 2.980 1.00 0.00 O ATOM 0 H ASP A 48 3.184 -10.912 1.719 1.00 0.00 H new ATOM 0 HA ASP A 48 3.700 -13.121 -0.174 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.709 -13.185 2.100 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.121 -12.987 2.814 1.00 0.00 H new ATOM 713 N PRO A 49 1.232 -13.452 -0.706 1.00 0.00 N ATOM 714 CA PRO A 49 -0.138 -13.867 -0.999 1.00 0.00 C ATOM 715 C PRO A 49 -0.808 -14.692 0.102 1.00 0.00 C ATOM 716 O PRO A 49 -1.991 -14.505 0.378 1.00 0.00 O ATOM 717 CB PRO A 49 -0.055 -14.670 -2.298 1.00 0.00 C ATOM 718 CG PRO A 49 1.103 -13.996 -3.022 1.00 0.00 C ATOM 719 CD PRO A 49 2.064 -13.669 -1.880 1.00 0.00 C ATOM 0 HA PRO A 49 -0.767 -12.981 -1.079 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.141 -15.726 -2.112 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.981 -14.614 -2.871 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.559 -14.656 -3.760 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.783 -13.099 -3.552 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.766 -14.486 -1.715 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.655 -12.782 -2.109 1.00 0.00 H new ATOM 727 N LEU A 50 -0.055 -15.608 0.721 1.00 0.00 N ATOM 728 CA LEU A 50 -0.565 -16.517 1.738 1.00 0.00 C ATOM 729 C LEU A 50 -1.058 -15.762 2.977 1.00 0.00 C ATOM 730 O LEU A 50 -2.022 -16.191 3.608 1.00 0.00 O ATOM 731 CB LEU A 50 0.524 -17.525 2.135 1.00 0.00 C ATOM 732 CG LEU A 50 1.097 -18.339 0.960 1.00 0.00 C ATOM 733 CD1 LEU A 50 2.238 -19.223 1.474 1.00 0.00 C ATOM 734 CD2 LEU A 50 0.029 -19.219 0.297 1.00 0.00 C ATOM 0 H LEU A 50 0.937 -15.736 0.523 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.416 -17.049 1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.339 -16.988 2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.112 -18.214 2.872 1.00 0.00 H new ATOM 0 HG LEU A 50 1.461 -17.638 0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.649 -19.803 0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.020 -18.596 1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.857 -19.900 2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.476 -19.776 -0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.374 -19.917 1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.775 -18.590 -0.085 1.00 0.00 H new ATOM 746 N LEU A 51 -0.392 -14.654 3.327 1.00 0.00 N ATOM 747 CA LEU A 51 -0.633 -13.910 4.556 1.00 0.00 C ATOM 748 C LEU A 51 -1.506 -12.673 4.322 1.00 0.00 C ATOM 749 O LEU A 51 -2.228 -12.270 5.232 1.00 0.00 O ATOM 750 CB LEU A 51 0.715 -13.535 5.186 1.00 0.00 C ATOM 751 CG LEU A 51 1.557 -14.754 5.607 1.00 0.00 C ATOM 752 CD1 LEU A 51 2.942 -14.286 6.066 1.00 0.00 C ATOM 753 CD2 LEU A 51 0.899 -15.549 6.742 1.00 0.00 C ATOM 0 H LEU A 51 0.343 -14.247 2.748 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.190 -14.546 5.244 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.286 -12.937 4.475 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.537 -12.907 6.059 1.00 0.00 H new ATOM 0 HG LEU A 51 1.638 -15.409 4.740 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.537 -15.149 6.364 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.440 -13.766 5.248 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.835 -13.609 6.914 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.530 -16.399 7.004 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.776 -14.906 7.613 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.077 -15.909 6.416 1.00 0.00 H new ATOM 765 N THR A 52 -1.456 -12.068 3.127 1.00 0.00 N ATOM 766 CA THR A 52 -2.277 -10.910 2.783 1.00 0.00 C ATOM 767 C THR A 52 -2.512 -10.862 1.272 1.00 0.00 C ATOM 768 O THR A 52 -1.770 -11.481 0.514 1.00 0.00 O ATOM 769 CB THR A 52 -1.625 -9.624 3.320 1.00 0.00 C ATOM 770 OG1 THR A 52 -2.527 -8.542 3.233 1.00 0.00 O ATOM 771 CG2 THR A 52 -0.343 -9.258 2.567 1.00 0.00 C ATOM 0 H THR A 52 -0.841 -12.373 2.372 1.00 0.00 H new ATOM 0 HA THR A 52 -3.255 -10.997 3.257 1.00 0.00 H new ATOM 0 HB THR A 52 -1.365 -9.820 4.360 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.100 -7.731 3.580 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.076 -8.343 2.986 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.381 -10.067 2.666 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.572 -9.103 1.513 1.00 0.00 H new ATOM 779 N SER A 53 -3.548 -10.130 0.842 1.00 0.00 N ATOM 780 CA SER A 53 -3.947 -9.976 -0.553 1.00 0.00 C ATOM 781 C SER A 53 -4.029 -8.484 -0.905 1.00 0.00 C ATOM 782 O SER A 53 -4.131 -7.660 0.002 1.00 0.00 O ATOM 783 CB SER A 53 -5.308 -10.653 -0.750 1.00 0.00 C ATOM 784 OG SER A 53 -6.314 -9.941 -0.059 1.00 0.00 O ATOM 0 H SER A 53 -4.149 -9.612 1.483 1.00 0.00 H new ATOM 0 HA SER A 53 -3.213 -10.443 -1.210 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.549 -10.698 -1.812 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.267 -11.680 -0.389 1.00 0.00 H new ATOM 0 HG SER A 53 -7.179 -10.382 -0.194 1.00 0.00 H new ATOM 790 N PRO A 54 -4.016 -8.111 -2.198 1.00 0.00 N ATOM 791 CA PRO A 54 -4.246 -6.740 -2.641 1.00 0.00 C ATOM 792 C PRO A 54 -5.505 -6.118 -2.028 1.00 0.00 C ATOM 793 O PRO A 54 -5.515 -4.929 -1.725 1.00 0.00 O ATOM 794 CB PRO A 54 -4.339 -6.806 -4.168 1.00 0.00 C ATOM 795 CG PRO A 54 -3.493 -8.029 -4.511 1.00 0.00 C ATOM 796 CD PRO A 54 -3.789 -8.974 -3.348 1.00 0.00 C ATOM 0 HA PRO A 54 -3.433 -6.093 -2.312 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.369 -6.921 -4.505 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.949 -5.902 -4.636 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.778 -8.463 -5.469 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.433 -7.784 -4.575 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.664 -9.591 -3.555 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.955 -9.653 -3.171 1.00 0.00 H new ATOM 804 N GLU A 55 -6.558 -6.924 -1.843 1.00 0.00 N ATOM 805 CA GLU A 55 -7.828 -6.506 -1.268 1.00 0.00 C ATOM 806 C GLU A 55 -7.663 -6.157 0.214 1.00 0.00 C ATOM 807 O GLU A 55 -8.194 -5.146 0.669 1.00 0.00 O ATOM 808 CB GLU A 55 -8.883 -7.608 -1.454 1.00 0.00 C ATOM 809 CG GLU A 55 -9.320 -7.790 -2.917 1.00 0.00 C ATOM 810 CD GLU A 55 -8.207 -8.301 -3.831 1.00 0.00 C ATOM 811 OE1 GLU A 55 -7.534 -9.276 -3.427 1.00 0.00 O ATOM 812 OE2 GLU A 55 -8.043 -7.704 -4.918 1.00 0.00 O ATOM 0 H GLU A 55 -6.542 -7.911 -2.099 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.167 -5.611 -1.789 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.483 -8.551 -1.081 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.757 -7.371 -0.848 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.157 -8.488 -2.953 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.683 -6.836 -3.300 1.00 0.00 H new ATOM 819 N THR A 56 -6.931 -6.985 0.969 1.00 0.00 N ATOM 820 CA THR A 56 -6.636 -6.726 2.374 1.00 0.00 C ATOM 821 C THR A 56 -5.811 -5.443 2.516 1.00 0.00 C ATOM 822 O THR A 56 -6.110 -4.609 3.369 1.00 0.00 O ATOM 823 CB THR A 56 -5.904 -7.932 2.979 1.00 0.00 C ATOM 824 OG1 THR A 56 -6.661 -9.105 2.770 1.00 0.00 O ATOM 825 CG2 THR A 56 -5.661 -7.763 4.482 1.00 0.00 C ATOM 0 H THR A 56 -6.528 -7.854 0.618 1.00 0.00 H new ATOM 0 HA THR A 56 -7.568 -6.582 2.920 1.00 0.00 H new ATOM 0 HB THR A 56 -4.937 -8.006 2.482 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.536 -9.415 1.849 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.141 -8.640 4.867 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.053 -6.875 4.655 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.616 -7.654 4.995 1.00 0.00 H new ATOM 833 N LEU A 57 -4.778 -5.288 1.679 1.00 0.00 N ATOM 834 CA LEU A 57 -3.900 -4.125 1.685 1.00 0.00 C ATOM 835 C LEU A 57 -4.690 -2.855 1.368 1.00 0.00 C ATOM 836 O LEU A 57 -4.583 -1.872 2.097 1.00 0.00 O ATOM 837 CB LEU A 57 -2.743 -4.337 0.698 1.00 0.00 C ATOM 838 CG LEU A 57 -1.833 -5.517 1.085 1.00 0.00 C ATOM 839 CD1 LEU A 57 -0.881 -5.835 -0.074 1.00 0.00 C ATOM 840 CD2 LEU A 57 -1.021 -5.230 2.350 1.00 0.00 C ATOM 0 H LEU A 57 -4.530 -5.979 0.971 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.474 -4.002 2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.149 -4.510 -0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.146 -3.427 0.645 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.475 -6.373 1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.238 -6.671 0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.460 -6.100 -0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.267 -4.961 -0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.394 -6.091 2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.391 -4.356 2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.699 -5.039 3.182 1.00 0.00 H new ATOM 852 N ARG A 58 -5.501 -2.885 0.304 1.00 0.00 N ATOM 853 CA ARG A 58 -6.451 -1.832 -0.034 1.00 0.00 C ATOM 854 C ARG A 58 -7.300 -1.474 1.191 1.00 0.00 C ATOM 855 O ARG A 58 -7.457 -0.298 1.513 1.00 0.00 O ATOM 856 CB ARG A 58 -7.321 -2.311 -1.204 1.00 0.00 C ATOM 857 CG ARG A 58 -8.420 -1.310 -1.580 1.00 0.00 C ATOM 858 CD ARG A 58 -9.291 -1.831 -2.727 1.00 0.00 C ATOM 859 NE ARG A 58 -9.823 -3.174 -2.459 1.00 0.00 N ATOM 860 CZ ARG A 58 -10.788 -3.470 -1.573 1.00 0.00 C ATOM 861 NH1 ARG A 58 -11.403 -2.507 -0.872 1.00 0.00 N ATOM 862 NH2 ARG A 58 -11.141 -4.748 -1.386 1.00 0.00 N ATOM 0 H ARG A 58 -5.511 -3.662 -0.357 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.922 -0.929 -0.337 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.687 -2.490 -2.072 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.779 -3.265 -0.943 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.045 -1.111 -0.709 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.966 -0.362 -1.869 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.119 -1.142 -2.894 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.704 -1.852 -3.645 1.00 0.00 H new ATOM 0 HE ARG A 58 -9.425 -3.948 -2.991 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.140 -1.531 -1.007 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.134 -2.750 -0.203 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.678 -5.488 -1.914 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.873 -4.982 -0.715 1.00 0.00 H new ATOM 876 N GLY A 59 -7.828 -2.497 1.875 1.00 0.00 N ATOM 877 CA GLY A 59 -8.567 -2.359 3.119 1.00 0.00 C ATOM 878 C GLY A 59 -7.792 -1.541 4.153 1.00 0.00 C ATOM 879 O GLY A 59 -8.335 -0.592 4.707 1.00 0.00 O ATOM 0 H GLY A 59 -7.746 -3.465 1.564 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.526 -1.880 2.921 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.783 -3.347 3.525 1.00 0.00 H new ATOM 883 N ALA A 60 -6.527 -1.896 4.408 1.00 0.00 N ATOM 884 CA ALA A 60 -5.678 -1.202 5.370 1.00 0.00 C ATOM 885 C ALA A 60 -5.478 0.272 4.999 1.00 0.00 C ATOM 886 O ALA A 60 -5.562 1.133 5.870 1.00 0.00 O ATOM 887 CB ALA A 60 -4.337 -1.928 5.505 1.00 0.00 C ATOM 0 H ALA A 60 -6.065 -2.680 3.946 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.182 -1.216 6.336 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.710 -1.403 6.225 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.508 -2.948 5.849 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.837 -1.951 4.537 1.00 0.00 H new ATOM 893 N ILE A 61 -5.226 0.577 3.720 1.00 0.00 N ATOM 894 CA ILE A 61 -5.097 1.957 3.258 1.00 0.00 C ATOM 895 C ILE A 61 -6.399 2.730 3.504 1.00 0.00 C ATOM 896 O ILE A 61 -6.362 3.867 3.972 1.00 0.00 O ATOM 897 CB ILE A 61 -4.689 1.996 1.775 1.00 0.00 C ATOM 898 CG1 ILE A 61 -3.339 1.315 1.485 1.00 0.00 C ATOM 899 CG2 ILE A 61 -4.665 3.443 1.268 1.00 0.00 C ATOM 900 CD1 ILE A 61 -2.157 1.886 2.270 1.00 0.00 C ATOM 0 H ILE A 61 -5.107 -0.121 2.986 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.308 2.445 3.830 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.445 1.422 1.239 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.428 0.252 1.709 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.126 1.400 0.419 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.375 3.456 0.217 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.656 3.883 1.376 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.947 4.021 1.850 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.248 1.347 2.003 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.036 2.942 2.029 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.343 1.777 3.338 1.00 0.00 H new ATOM 912 N GLU A 62 -7.547 2.115 3.194 1.00 0.00 N ATOM 913 CA GLU A 62 -8.857 2.695 3.454 1.00 0.00 C ATOM 914 C GLU A 62 -9.024 2.973 4.952 1.00 0.00 C ATOM 915 O GLU A 62 -9.505 4.041 5.325 1.00 0.00 O ATOM 916 CB GLU A 62 -9.944 1.772 2.879 1.00 0.00 C ATOM 917 CG GLU A 62 -11.352 2.385 2.903 1.00 0.00 C ATOM 918 CD GLU A 62 -11.966 2.438 4.301 1.00 0.00 C ATOM 919 OE1 GLU A 62 -11.919 1.395 4.989 1.00 0.00 O ATOM 920 OE2 GLU A 62 -12.478 3.522 4.657 1.00 0.00 O ATOM 0 H GLU A 62 -7.586 1.196 2.753 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.956 3.658 2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.686 1.518 1.851 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.953 0.840 3.445 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.308 3.395 2.495 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.004 1.805 2.249 1.00 0.00 H new ATOM 927 N ASP A 63 -8.615 2.025 5.805 1.00 0.00 N ATOM 928 CA ASP A 63 -8.674 2.154 7.256 1.00 0.00 C ATOM 929 C ASP A 63 -7.831 3.337 7.742 1.00 0.00 C ATOM 930 O ASP A 63 -8.275 4.071 8.623 1.00 0.00 O ATOM 931 CB ASP A 63 -8.238 0.844 7.933 1.00 0.00 C ATOM 932 CG ASP A 63 -9.139 -0.346 7.602 1.00 0.00 C ATOM 933 OD1 ASP A 63 -10.349 -0.118 7.381 1.00 0.00 O ATOM 934 OD2 ASP A 63 -8.600 -1.474 7.582 1.00 0.00 O ATOM 0 H ASP A 63 -8.228 1.134 5.495 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.708 2.353 7.537 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.217 0.611 7.631 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.225 0.990 9.013 1.00 0.00 H new ATOM 939 N MET A 64 -6.632 3.538 7.174 1.00 0.00 N ATOM 940 CA MET A 64 -5.813 4.710 7.472 1.00 0.00 C ATOM 941 C MET A 64 -6.540 5.995 7.059 1.00 0.00 C ATOM 942 O MET A 64 -6.549 6.957 7.825 1.00 0.00 O ATOM 943 CB MET A 64 -4.430 4.614 6.813 1.00 0.00 C ATOM 944 CG MET A 64 -3.565 3.526 7.460 1.00 0.00 C ATOM 945 SD MET A 64 -1.847 3.461 6.879 1.00 0.00 S ATOM 946 CE MET A 64 -1.182 4.927 7.711 1.00 0.00 C ATOM 0 H MET A 64 -6.211 2.896 6.502 1.00 0.00 H new ATOM 0 HA MET A 64 -5.653 4.742 8.550 1.00 0.00 H new ATOM 0 HB2 MET A 64 -4.548 4.401 5.751 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.923 5.576 6.891 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.562 3.680 8.539 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.031 2.557 7.278 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.103 4.971 7.564 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.642 5.823 7.293 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.401 4.871 8.777 1.00 0.00 H new ATOM 956 N GLY A 65 -7.159 6.001 5.870 1.00 0.00 N ATOM 957 CA GLY A 65 -8.062 7.059 5.431 1.00 0.00 C ATOM 958 C GLY A 65 -7.607 7.686 4.118 1.00 0.00 C ATOM 959 O GLY A 65 -7.347 8.887 4.071 1.00 0.00 O ATOM 0 H GLY A 65 -7.041 5.258 5.181 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.066 6.652 5.310 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.120 7.829 6.200 1.00 0.00 H new ATOM 963 N PHE A 66 -7.528 6.877 3.054 1.00 0.00 N ATOM 964 CA PHE A 66 -7.248 7.338 1.698 1.00 0.00 C ATOM 965 C PHE A 66 -8.117 6.560 0.710 1.00 0.00 C ATOM 966 O PHE A 66 -8.598 5.473 1.030 1.00 0.00 O ATOM 967 CB PHE A 66 -5.759 7.168 1.375 1.00 0.00 C ATOM 968 CG PHE A 66 -4.834 7.839 2.370 1.00 0.00 C ATOM 969 CD1 PHE A 66 -4.564 9.215 2.262 1.00 0.00 C ATOM 970 CD2 PHE A 66 -4.261 7.091 3.416 1.00 0.00 C ATOM 971 CE1 PHE A 66 -3.747 9.850 3.213 1.00 0.00 C ATOM 972 CE2 PHE A 66 -3.444 7.725 4.367 1.00 0.00 C ATOM 973 CZ PHE A 66 -3.193 9.105 4.270 1.00 0.00 C ATOM 0 H PHE A 66 -7.660 5.868 3.118 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.487 8.398 1.616 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.525 6.104 1.337 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.564 7.573 0.382 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.985 9.785 1.447 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.449 6.030 3.487 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.545 10.908 3.133 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.009 7.152 5.173 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.574 9.594 5.008 1.00 0.00 H new ATOM 983 N ASP A 67 -8.313 7.116 -0.491 1.00 0.00 N ATOM 984 CA ASP A 67 -9.081 6.474 -1.547 1.00 0.00 C ATOM 985 C ASP A 67 -8.253 5.326 -2.126 1.00 0.00 C ATOM 986 O ASP A 67 -7.375 5.548 -2.959 1.00 0.00 O ATOM 987 CB ASP A 67 -9.466 7.505 -2.613 1.00 0.00 C ATOM 988 CG ASP A 67 -10.180 6.852 -3.795 1.00 0.00 C ATOM 989 OD1 ASP A 67 -11.312 6.368 -3.578 1.00 0.00 O ATOM 990 OD2 ASP A 67 -9.581 6.846 -4.893 1.00 0.00 O ATOM 0 H ASP A 67 -7.939 8.028 -0.752 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.009 6.062 -1.151 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.112 8.263 -2.170 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.570 8.016 -2.966 1.00 0.00 H new ATOM 995 N ALA A 68 -8.544 4.108 -1.655 1.00 0.00 N ATOM 996 CA ALA A 68 -7.804 2.896 -1.962 1.00 0.00 C ATOM 997 C ALA A 68 -8.532 2.098 -3.047 1.00 0.00 C ATOM 998 O ALA A 68 -9.724 1.827 -2.912 1.00 0.00 O ATOM 999 CB ALA A 68 -7.659 2.079 -0.676 1.00 0.00 C ATOM 0 H ALA A 68 -9.331 3.942 -1.028 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.813 3.142 -2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.105 1.164 -0.887 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.121 2.665 0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.647 1.825 -0.293 1.00 0.00 H new ATOM 1005 N THR A 69 -7.825 1.725 -4.122 1.00 0.00 N ATOM 1006 CA THR A 69 -8.358 0.927 -5.229 1.00 0.00 C ATOM 1007 C THR A 69 -7.215 0.101 -5.828 1.00 0.00 C ATOM 1008 O THR A 69 -6.061 0.506 -5.736 1.00 0.00 O ATOM 1009 CB THR A 69 -9.024 1.860 -6.259 1.00 0.00 C ATOM 1010 OG1 THR A 69 -10.200 2.416 -5.708 1.00 0.00 O ATOM 1011 CG2 THR A 69 -9.418 1.149 -7.558 1.00 0.00 C ATOM 0 H THR A 69 -6.844 1.977 -4.247 1.00 0.00 H new ATOM 0 HA THR A 69 -9.126 0.234 -4.885 1.00 0.00 H new ATOM 0 HB THR A 69 -8.282 2.623 -6.497 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.266 2.170 -4.762 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.881 1.864 -8.238 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.529 0.727 -8.026 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.125 0.350 -7.335 1.00 0.00 H new ATOM 1019 N LEU A 70 -7.514 -1.057 -6.433 1.00 0.00 N ATOM 1020 CA LEU A 70 -6.500 -1.900 -7.057 1.00 0.00 C ATOM 1021 C LEU A 70 -6.069 -1.273 -8.385 1.00 0.00 C ATOM 1022 O LEU A 70 -6.917 -1.039 -9.245 1.00 0.00 O ATOM 1023 CB LEU A 70 -7.027 -3.323 -7.326 1.00 0.00 C ATOM 1024 CG LEU A 70 -7.524 -4.148 -6.124 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -6.684 -3.937 -4.861 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -9.017 -3.936 -5.844 1.00 0.00 C ATOM 0 H LEU A 70 -8.461 -1.429 -6.500 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.656 -1.972 -6.371 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.847 -3.246 -8.040 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.232 -3.887 -7.813 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.393 -5.190 -6.415 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.086 -4.546 -4.051 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.652 -4.229 -5.057 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.715 -2.886 -4.575 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.316 -4.540 -4.987 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.201 -2.884 -5.628 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.597 -4.233 -6.718 1.00 0.00 H new