USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 514 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: X 25 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: X 27 ASN : amide:sc= -0.579 K(o=-0.58,f=-4.3!) USER MOD Single : X 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 5 THR OG1 : rot 180:sc= 0 USER MOD Single : X 16 GLN : amide:sc= -0.0381 K(o=-0.038,f=-1.4!) USER MOD Single : X 28 LYS NZ :NH3+ -156:sc= -0.103 (180deg=-0.888) USER MOD Single : X 30 THR OG1 : rot 180:sc= 0 USER MOD Single : X 32 TYR OH : rot 180:sc= 0 USER MOD Single : X 34 SER OG : rot -165:sc= -0.3 USER MOD Single : X 35 SER OG : rot 180:sc= 0 USER MOD Single : X 36 SER OG : rot 180:sc= 0 USER MOD Single : X 41 GLN : amide:sc= 0 X(o=0,f=-0.0052) USER MOD Single : X 42 THR OG1 : rot 180:sc= 0 USER MOD Single : X 52 SER OG : rot 180:sc= 0 USER MOD Single : X 60 MET CE :methyl 153:sc= -0.0996 (180deg=-0.912) USER MOD Single : X 61 TYR OH : rot 180:sc= 0 USER MOD Single : X 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY X 1 26.822 -14.886 18.527 1.00 0.00 N ATOM 2 CA GLY X 1 26.998 -15.939 17.486 1.00 0.00 C ATOM 3 C GLY X 1 28.452 -16.396 17.467 1.00 0.00 C ATOM 4 O GLY X 1 28.743 -17.580 17.640 1.00 0.00 O ATOM 0 H1 GLY X 1 25.830 -14.574 18.541 1.00 0.00 H new ATOM 0 H2 GLY X 1 27.076 -15.273 19.458 1.00 0.00 H new ATOM 0 H3 GLY X 1 27.437 -14.076 18.309 1.00 0.00 H new ATOM 0 HA2 GLY X 1 26.342 -16.785 17.694 1.00 0.00 H new ATOM 0 HA3 GLY X 1 26.715 -15.550 16.508 1.00 0.00 H new ATOM 10 N GLY X 2 29.361 -15.450 17.258 1.00 0.00 N ATOM 11 CA GLY X 2 30.785 -15.768 17.219 1.00 0.00 C ATOM 12 C GLY X 2 31.340 -15.942 18.628 1.00 0.00 C ATOM 13 O GLY X 2 30.661 -15.653 19.615 1.00 0.00 O ATOM 0 H GLY X 2 29.141 -14.465 17.114 1.00 0.00 H new ATOM 0 HA2 GLY X 2 30.943 -16.682 16.646 1.00 0.00 H new ATOM 0 HA3 GLY X 2 31.326 -14.973 16.706 1.00 0.00 H new ATOM 17 N PRO X 3 32.555 -16.406 18.735 1.00 0.00 N ATOM 18 CA PRO X 3 33.225 -16.626 20.050 1.00 0.00 C ATOM 19 C PRO X 3 33.643 -15.315 20.711 1.00 0.00 C ATOM 20 O PRO X 3 34.832 -15.030 20.859 1.00 0.00 O ATOM 21 CB PRO X 3 34.445 -17.478 19.693 1.00 0.00 C ATOM 22 CG PRO X 3 34.750 -17.156 18.267 1.00 0.00 C ATOM 23 CD PRO X 3 33.424 -16.775 17.606 1.00 0.00 C ATOM 0 HA PRO X 3 32.564 -17.103 20.774 1.00 0.00 H new ATOM 0 HB2 PRO X 3 35.291 -17.243 20.339 1.00 0.00 H new ATOM 0 HB3 PRO X 3 34.233 -18.540 19.819 1.00 0.00 H new ATOM 0 HG2 PRO X 3 35.465 -16.336 18.200 1.00 0.00 H new ATOM 0 HG3 PRO X 3 35.200 -18.013 17.765 1.00 0.00 H new ATOM 0 HD2 PRO X 3 33.549 -15.945 16.911 1.00 0.00 H new ATOM 0 HD3 PRO X 3 33.008 -17.607 17.038 1.00 0.00 H new ATOM 31 N GLU X 4 32.656 -14.521 21.109 1.00 0.00 N ATOM 32 CA GLU X 4 32.930 -13.244 21.754 1.00 0.00 C ATOM 33 C GLU X 4 33.851 -12.392 20.886 1.00 0.00 C ATOM 34 O GLU X 4 34.772 -11.747 21.388 1.00 0.00 O ATOM 35 CB GLU X 4 33.584 -13.478 23.117 1.00 0.00 C ATOM 36 CG GLU X 4 32.627 -14.266 24.014 1.00 0.00 C ATOM 37 CD GLU X 4 33.261 -14.491 25.383 1.00 0.00 C ATOM 38 OE1 GLU X 4 34.403 -14.098 25.557 1.00 0.00 O ATOM 39 OE2 GLU X 4 32.596 -15.053 26.236 1.00 0.00 O ATOM 0 H GLU X 4 31.665 -14.737 20.997 1.00 0.00 H new ATOM 0 HA GLU X 4 31.986 -12.716 21.889 1.00 0.00 H new ATOM 0 HB2 GLU X 4 34.518 -14.026 22.995 1.00 0.00 H new ATOM 0 HB3 GLU X 4 33.832 -12.524 23.582 1.00 0.00 H new ATOM 0 HG2 GLU X 4 31.688 -13.723 24.124 1.00 0.00 H new ATOM 0 HG3 GLU X 4 32.389 -15.224 23.552 1.00 0.00 H new ATOM 46 N THR X 5 33.598 -12.397 19.582 1.00 0.00 N ATOM 47 CA THR X 5 34.411 -11.619 18.653 1.00 0.00 C ATOM 48 C THR X 5 33.579 -11.174 17.454 1.00 0.00 C ATOM 49 O THR X 5 32.626 -11.849 17.064 1.00 0.00 O ATOM 50 CB THR X 5 35.597 -12.456 18.171 1.00 0.00 C ATOM 51 OG1 THR X 5 36.462 -11.644 17.391 1.00 0.00 O ATOM 52 CG2 THR X 5 35.089 -13.623 17.321 1.00 0.00 C ATOM 0 H THR X 5 32.843 -12.926 19.146 1.00 0.00 H new ATOM 0 HA THR X 5 34.778 -10.734 19.174 1.00 0.00 H new ATOM 0 HB THR X 5 36.140 -12.845 19.032 1.00 0.00 H new ATOM 0 HG1 THR X 5 37.223 -12.179 17.083 1.00 0.00 H new ATOM 0 HG21 THR X 5 35.935 -14.219 16.978 1.00 0.00 H new ATOM 0 HG22 THR X 5 34.425 -14.247 17.919 1.00 0.00 H new ATOM 0 HG23 THR X 5 34.545 -13.236 16.459 1.00 0.00 H new ATOM 60 N LEU X 6 33.949 -10.038 16.873 1.00 0.00 N ATOM 61 CA LEU X 6 33.229 -9.515 15.720 1.00 0.00 C ATOM 62 C LEU X 6 34.123 -9.539 14.482 1.00 0.00 C ATOM 63 O LEU X 6 35.271 -9.099 14.526 1.00 0.00 O ATOM 64 CB LEU X 6 32.771 -8.082 15.994 1.00 0.00 C ATOM 65 CG LEU X 6 32.179 -7.991 17.400 1.00 0.00 C ATOM 66 CD1 LEU X 6 33.207 -7.372 18.352 1.00 0.00 C ATOM 67 CD2 LEU X 6 30.924 -7.115 17.365 1.00 0.00 C ATOM 0 H LEU X 6 34.737 -9.467 17.179 1.00 0.00 H new ATOM 0 HA LEU X 6 32.357 -10.144 15.541 1.00 0.00 H new ATOM 0 HB2 LEU X 6 33.613 -7.396 15.898 1.00 0.00 H new ATOM 0 HB3 LEU X 6 32.028 -7.780 15.256 1.00 0.00 H new ATOM 0 HG LEU X 6 31.919 -8.990 17.750 1.00 0.00 H new ATOM 0 HD11 LEU X 6 32.783 -7.308 19.354 1.00 0.00 H new ATOM 0 HD12 LEU X 6 34.102 -7.994 18.376 1.00 0.00 H new ATOM 0 HD13 LEU X 6 33.469 -6.373 18.005 1.00 0.00 H new ATOM 0 HD21 LEU X 6 30.499 -7.048 18.367 1.00 0.00 H new ATOM 0 HD22 LEU X 6 31.187 -6.117 17.015 1.00 0.00 H new ATOM 0 HD23 LEU X 6 30.191 -7.556 16.689 1.00 0.00 H new ATOM 79 N CYS X 7 33.588 -10.061 13.385 1.00 0.00 N ATOM 80 CA CYS X 7 34.341 -10.147 12.141 1.00 0.00 C ATOM 81 C CYS X 7 33.403 -10.362 10.953 1.00 0.00 C ATOM 82 O CYS X 7 32.372 -11.037 11.067 1.00 0.00 O ATOM 83 CB CYS X 7 35.346 -11.299 12.222 1.00 0.00 C ATOM 84 SG CYS X 7 36.429 -11.265 10.770 1.00 0.00 S ATOM 0 H CYS X 7 32.639 -10.430 13.332 1.00 0.00 H new ATOM 0 HA CYS X 7 34.875 -9.208 11.995 1.00 0.00 H new ATOM 0 HB2 CYS X 7 35.939 -11.214 13.133 1.00 0.00 H new ATOM 0 HB3 CYS X 7 34.819 -12.252 12.273 1.00 0.00 H new ATOM 89 N GLY X 8 33.768 -9.791 9.811 1.00 0.00 N ATOM 90 CA GLY X 8 32.959 -9.929 8.608 1.00 0.00 C ATOM 91 C GLY X 8 31.568 -9.338 8.805 1.00 0.00 C ATOM 92 O GLY X 8 31.424 -8.192 9.233 1.00 0.00 O ATOM 0 H GLY X 8 34.613 -9.232 9.694 1.00 0.00 H new ATOM 0 HA2 GLY X 8 33.454 -9.430 7.775 1.00 0.00 H new ATOM 0 HA3 GLY X 8 32.874 -10.983 8.343 1.00 0.00 H new ATOM 96 N ALA X 9 30.549 -10.123 8.483 1.00 0.00 N ATOM 97 CA ALA X 9 29.174 -9.668 8.623 1.00 0.00 C ATOM 98 C ALA X 9 28.870 -9.316 10.074 1.00 0.00 C ATOM 99 O ALA X 9 28.133 -8.369 10.349 1.00 0.00 O ATOM 100 CB ALA X 9 28.207 -10.756 8.150 1.00 0.00 C ATOM 0 H ALA X 9 30.648 -11.073 8.125 1.00 0.00 H new ATOM 0 HA ALA X 9 29.046 -8.777 8.008 1.00 0.00 H new ATOM 0 HB1 ALA X 9 27.181 -10.404 8.260 1.00 0.00 H new ATOM 0 HB2 ALA X 9 28.402 -10.986 7.102 1.00 0.00 H new ATOM 0 HB3 ALA X 9 28.348 -11.655 8.751 1.00 0.00 H new ATOM 106 N GLU X 10 29.430 -10.090 11.001 1.00 0.00 N ATOM 107 CA GLU X 10 29.189 -9.850 12.419 1.00 0.00 C ATOM 108 C GLU X 10 29.684 -8.462 12.817 1.00 0.00 C ATOM 109 O GLU X 10 29.011 -7.740 13.553 1.00 0.00 O ATOM 110 CB GLU X 10 29.917 -10.911 13.245 1.00 0.00 C ATOM 111 CG GLU X 10 29.241 -12.268 13.050 1.00 0.00 C ATOM 112 CD GLU X 10 30.073 -13.364 13.707 1.00 0.00 C ATOM 113 OE1 GLU X 10 31.177 -13.066 14.138 1.00 0.00 O ATOM 114 OE2 GLU X 10 29.600 -14.487 13.761 1.00 0.00 O ATOM 0 H GLU X 10 30.045 -10.878 10.799 1.00 0.00 H new ATOM 0 HA GLU X 10 28.117 -9.906 12.609 1.00 0.00 H new ATOM 0 HB2 GLU X 10 30.962 -10.968 12.942 1.00 0.00 H new ATOM 0 HB3 GLU X 10 29.905 -10.636 14.300 1.00 0.00 H new ATOM 0 HG2 GLU X 10 28.241 -12.251 13.483 1.00 0.00 H new ATOM 0 HG3 GLU X 10 29.125 -12.476 11.986 1.00 0.00 H new ATOM 121 N LEU X 11 30.857 -8.092 12.319 1.00 0.00 N ATOM 122 CA LEU X 11 31.424 -6.783 12.622 1.00 0.00 C ATOM 123 C LEU X 11 30.587 -5.673 12.006 1.00 0.00 C ATOM 124 O LEU X 11 30.338 -4.644 12.637 1.00 0.00 O ATOM 125 CB LEU X 11 32.859 -6.696 12.102 1.00 0.00 C ATOM 126 CG LEU X 11 33.441 -5.314 12.417 1.00 0.00 C ATOM 127 CD1 LEU X 11 33.478 -5.099 13.931 1.00 0.00 C ATOM 128 CD2 LEU X 11 34.857 -5.224 11.859 1.00 0.00 C ATOM 0 H LEU X 11 31.431 -8.674 11.708 1.00 0.00 H new ATOM 0 HA LEU X 11 31.425 -6.657 13.705 1.00 0.00 H new ATOM 0 HB2 LEU X 11 33.470 -7.472 12.563 1.00 0.00 H new ATOM 0 HB3 LEU X 11 32.877 -6.872 11.026 1.00 0.00 H new ATOM 0 HG LEU X 11 32.815 -4.547 11.960 1.00 0.00 H new ATOM 0 HD11 LEU X 11 33.893 -4.115 14.149 1.00 0.00 H new ATOM 0 HD12 LEU X 11 32.467 -5.164 14.332 1.00 0.00 H new ATOM 0 HD13 LEU X 11 34.101 -5.865 14.392 1.00 0.00 H new ATOM 0 HD21 LEU X 11 35.274 -4.242 12.081 1.00 0.00 H new ATOM 0 HD22 LEU X 11 35.478 -5.994 12.317 1.00 0.00 H new ATOM 0 HD23 LEU X 11 34.833 -5.372 10.779 1.00 0.00 H new ATOM 140 N VAL X 12 30.160 -5.883 10.768 1.00 0.00 N ATOM 141 CA VAL X 12 29.353 -4.889 10.072 1.00 0.00 C ATOM 142 C VAL X 12 28.079 -4.590 10.844 1.00 0.00 C ATOM 143 O VAL X 12 27.686 -3.431 10.996 1.00 0.00 O ATOM 144 CB VAL X 12 29.002 -5.398 8.670 1.00 0.00 C ATOM 145 CG1 VAL X 12 27.847 -4.572 8.098 1.00 0.00 C ATOM 146 CG2 VAL X 12 30.221 -5.236 7.755 1.00 0.00 C ATOM 0 H VAL X 12 30.357 -6.726 10.228 1.00 0.00 H new ATOM 0 HA VAL X 12 29.931 -3.969 9.992 1.00 0.00 H new ATOM 0 HB VAL X 12 28.712 -6.447 8.730 1.00 0.00 H new ATOM 0 HG11 VAL X 12 27.599 -4.935 7.101 1.00 0.00 H new ATOM 0 HG12 VAL X 12 26.976 -4.667 8.746 1.00 0.00 H new ATOM 0 HG13 VAL X 12 28.143 -3.525 8.039 1.00 0.00 H new ATOM 0 HG21 VAL X 12 29.977 -5.597 6.756 1.00 0.00 H new ATOM 0 HG22 VAL X 12 30.499 -4.183 7.703 1.00 0.00 H new ATOM 0 HG23 VAL X 12 31.055 -5.812 8.155 1.00 0.00 H new ATOM 156 N ASP X 13 27.431 -5.640 11.331 1.00 0.00 N ATOM 157 CA ASP X 13 26.196 -5.473 12.085 1.00 0.00 C ATOM 158 C ASP X 13 26.451 -4.663 13.353 1.00 0.00 C ATOM 159 O ASP X 13 25.687 -3.758 13.687 1.00 0.00 O ATOM 160 CB ASP X 13 25.627 -6.844 12.459 1.00 0.00 C ATOM 161 CG ASP X 13 24.260 -6.683 13.116 1.00 0.00 C ATOM 162 OD1 ASP X 13 23.864 -5.551 13.343 1.00 0.00 O ATOM 163 OD2 ASP X 13 23.629 -7.692 13.381 1.00 0.00 O ATOM 0 H ASP X 13 27.736 -6.607 11.219 1.00 0.00 H new ATOM 0 HA ASP X 13 25.478 -4.938 11.463 1.00 0.00 H new ATOM 0 HB2 ASP X 13 25.540 -7.466 11.568 1.00 0.00 H new ATOM 0 HB3 ASP X 13 26.308 -7.356 13.139 1.00 0.00 H new ATOM 168 N ALA X 14 27.532 -4.993 14.055 1.00 0.00 N ATOM 169 CA ALA X 14 27.876 -4.285 15.282 1.00 0.00 C ATOM 170 C ALA X 14 28.162 -2.816 14.999 1.00 0.00 C ATOM 171 O ALA X 14 27.748 -1.939 15.755 1.00 0.00 O ATOM 172 CB ALA X 14 29.100 -4.925 15.929 1.00 0.00 C ATOM 0 H ALA X 14 28.178 -5.739 13.798 1.00 0.00 H new ATOM 0 HA ALA X 14 27.026 -4.352 15.962 1.00 0.00 H new ATOM 0 HB1 ALA X 14 29.349 -4.389 16.845 1.00 0.00 H new ATOM 0 HB2 ALA X 14 28.884 -5.967 16.165 1.00 0.00 H new ATOM 0 HB3 ALA X 14 29.943 -4.877 15.240 1.00 0.00 H new ATOM 178 N LEU X 15 28.871 -2.557 13.904 1.00 0.00 N ATOM 179 CA LEU X 15 29.206 -1.186 13.532 1.00 0.00 C ATOM 180 C LEU X 15 27.941 -0.372 13.296 1.00 0.00 C ATOM 181 O LEU X 15 27.835 0.768 13.750 1.00 0.00 O ATOM 182 CB LEU X 15 30.059 -1.190 12.260 1.00 0.00 C ATOM 183 CG LEU X 15 31.472 -1.678 12.590 1.00 0.00 C ATOM 184 CD1 LEU X 15 32.198 -2.053 11.297 1.00 0.00 C ATOM 185 CD2 LEU X 15 32.242 -0.550 13.288 1.00 0.00 C ATOM 0 H LEU X 15 29.222 -3.270 13.265 1.00 0.00 H new ATOM 0 HA LEU X 15 29.768 -0.731 14.348 1.00 0.00 H new ATOM 0 HB2 LEU X 15 29.606 -1.837 11.509 1.00 0.00 H new ATOM 0 HB3 LEU X 15 30.100 -0.187 11.834 1.00 0.00 H new ATOM 0 HG LEU X 15 31.414 -2.549 13.242 1.00 0.00 H new ATOM 0 HD11 LEU X 15 33.204 -2.400 11.532 1.00 0.00 H new ATOM 0 HD12 LEU X 15 31.650 -2.846 10.789 1.00 0.00 H new ATOM 0 HD13 LEU X 15 32.258 -1.180 10.647 1.00 0.00 H new ATOM 0 HD21 LEU X 15 33.250 -0.891 13.526 1.00 0.00 H new ATOM 0 HD22 LEU X 15 32.298 0.315 12.627 1.00 0.00 H new ATOM 0 HD23 LEU X 15 31.726 -0.272 14.207 1.00 0.00 H new ATOM 197 N GLN X 16 26.979 -0.966 12.599 1.00 0.00 N ATOM 198 CA GLN X 16 25.720 -0.285 12.326 1.00 0.00 C ATOM 199 C GLN X 16 24.959 -0.037 13.623 1.00 0.00 C ATOM 200 O GLN X 16 24.380 1.027 13.819 1.00 0.00 O ATOM 201 CB GLN X 16 24.866 -1.127 11.379 1.00 0.00 C ATOM 202 CG GLN X 16 25.502 -1.134 9.988 1.00 0.00 C ATOM 203 CD GLN X 16 24.788 -2.142 9.095 1.00 0.00 C ATOM 204 OE1 GLN X 16 24.247 -3.134 9.585 1.00 0.00 O ATOM 205 NE2 GLN X 16 24.756 -1.950 7.805 1.00 0.00 N ATOM 0 H GLN X 16 27.046 -1.909 12.216 1.00 0.00 H new ATOM 0 HA GLN X 16 25.938 0.674 11.857 1.00 0.00 H new ATOM 0 HB2 GLN X 16 24.782 -2.146 11.757 1.00 0.00 H new ATOM 0 HB3 GLN X 16 23.855 -0.722 11.326 1.00 0.00 H new ATOM 0 HG2 GLN X 16 25.443 -0.139 9.547 1.00 0.00 H new ATOM 0 HG3 GLN X 16 26.559 -1.387 10.064 1.00 0.00 H new ATOM 0 HE21 GLN X 16 25.204 -1.128 7.400 1.00 0.00 H new ATOM 0 HE22 GLN X 16 24.283 -2.622 7.201 1.00 0.00 H new ATOM 214 N PHE X 17 24.972 -1.027 14.509 1.00 0.00 N ATOM 215 CA PHE X 17 24.285 -0.899 15.789 1.00 0.00 C ATOM 216 C PHE X 17 24.855 0.256 16.604 1.00 0.00 C ATOM 217 O PHE X 17 24.113 1.098 17.111 1.00 0.00 O ATOM 218 CB PHE X 17 24.430 -2.196 16.584 1.00 0.00 C ATOM 219 CG PHE X 17 23.968 -1.973 18.005 1.00 0.00 C ATOM 220 CD1 PHE X 17 22.611 -2.086 18.335 1.00 0.00 C ATOM 221 CD2 PHE X 17 24.906 -1.643 18.995 1.00 0.00 C ATOM 222 CE1 PHE X 17 22.190 -1.874 19.655 1.00 0.00 C ATOM 223 CE2 PHE X 17 24.484 -1.432 20.314 1.00 0.00 C ATOM 224 CZ PHE X 17 23.127 -1.547 20.644 1.00 0.00 C ATOM 0 H PHE X 17 25.446 -1.919 14.367 1.00 0.00 H new ATOM 0 HA PHE X 17 23.232 -0.699 15.590 1.00 0.00 H new ATOM 0 HB2 PHE X 17 23.841 -2.987 16.119 1.00 0.00 H new ATOM 0 HB3 PHE X 17 25.469 -2.525 16.576 1.00 0.00 H new ATOM 0 HD1 PHE X 17 21.889 -2.337 17.572 1.00 0.00 H new ATOM 0 HD2 PHE X 17 25.952 -1.552 18.741 1.00 0.00 H new ATOM 0 HE1 PHE X 17 21.144 -1.963 19.910 1.00 0.00 H new ATOM 0 HE2 PHE X 17 25.205 -1.180 21.077 1.00 0.00 H new ATOM 0 HZ PHE X 17 22.803 -1.383 21.661 1.00 0.00 H new ATOM 234 N VAL X 18 26.175 0.280 16.737 1.00 0.00 N ATOM 235 CA VAL X 18 26.838 1.327 17.506 1.00 0.00 C ATOM 236 C VAL X 18 26.647 2.687 16.846 1.00 0.00 C ATOM 237 O VAL X 18 26.368 3.683 17.516 1.00 0.00 O ATOM 238 CB VAL X 18 28.329 1.019 17.628 1.00 0.00 C ATOM 239 CG1 VAL X 18 29.039 2.198 18.294 1.00 0.00 C ATOM 240 CG2 VAL X 18 28.525 -0.237 18.475 1.00 0.00 C ATOM 0 H VAL X 18 26.805 -0.409 16.325 1.00 0.00 H new ATOM 0 HA VAL X 18 26.391 1.357 18.500 1.00 0.00 H new ATOM 0 HB VAL X 18 28.747 0.855 16.635 1.00 0.00 H new ATOM 0 HG11 VAL X 18 30.103 1.979 18.382 1.00 0.00 H new ATOM 0 HG12 VAL X 18 28.901 3.094 17.689 1.00 0.00 H new ATOM 0 HG13 VAL X 18 28.619 2.362 19.287 1.00 0.00 H new ATOM 0 HG21 VAL X 18 29.589 -0.455 18.561 1.00 0.00 H new ATOM 0 HG22 VAL X 18 28.106 -0.075 19.468 1.00 0.00 H new ATOM 0 HG23 VAL X 18 28.019 -1.078 18.001 1.00 0.00 H new ATOM 250 N CYS X 19 26.814 2.727 15.528 1.00 0.00 N ATOM 251 CA CYS X 19 26.670 3.972 14.784 1.00 0.00 C ATOM 252 C CYS X 19 25.548 3.864 13.757 1.00 0.00 C ATOM 253 O CYS X 19 25.782 3.979 12.555 1.00 0.00 O ATOM 254 CB CYS X 19 27.986 4.307 14.077 1.00 0.00 C ATOM 255 SG CYS X 19 29.294 4.490 15.314 1.00 0.00 S ATOM 0 H CYS X 19 27.048 1.916 14.956 1.00 0.00 H new ATOM 0 HA CYS X 19 26.420 4.767 15.487 1.00 0.00 H new ATOM 0 HB2 CYS X 19 28.245 3.518 13.371 1.00 0.00 H new ATOM 0 HB3 CYS X 19 27.880 5.227 13.503 1.00 0.00 H new ATOM 260 N GLY X 20 24.330 3.646 14.238 1.00 0.00 N ATOM 261 CA GLY X 20 23.179 3.529 13.349 1.00 0.00 C ATOM 262 C GLY X 20 22.946 4.821 12.577 1.00 0.00 C ATOM 263 O GLY X 20 22.642 4.795 11.384 1.00 0.00 O ATOM 0 H GLY X 20 24.114 3.547 15.230 1.00 0.00 H new ATOM 0 HA2 GLY X 20 23.338 2.708 12.650 1.00 0.00 H new ATOM 0 HA3 GLY X 20 22.290 3.284 13.931 1.00 0.00 H new ATOM 267 N ASP X 21 23.084 5.949 13.265 1.00 0.00 N ATOM 268 CA ASP X 21 22.881 7.245 12.631 1.00 0.00 C ATOM 269 C ASP X 21 24.213 7.872 12.231 1.00 0.00 C ATOM 270 O ASP X 21 24.332 8.473 11.163 1.00 0.00 O ATOM 271 CB ASP X 21 22.150 8.182 13.594 1.00 0.00 C ATOM 272 CG ASP X 21 20.714 7.707 13.797 1.00 0.00 C ATOM 273 OD1 ASP X 21 20.265 6.891 13.008 1.00 0.00 O ATOM 274 OD2 ASP X 21 20.087 8.164 14.737 1.00 0.00 O ATOM 0 H ASP X 21 23.333 5.992 14.253 1.00 0.00 H new ATOM 0 HA ASP X 21 22.282 7.095 11.732 1.00 0.00 H new ATOM 0 HB2 ASP X 21 22.671 8.211 14.551 1.00 0.00 H new ATOM 0 HB3 ASP X 21 22.153 9.198 13.198 1.00 0.00 H new ATOM 279 N ARG X 22 25.213 7.729 13.096 1.00 0.00 N ATOM 280 CA ARG X 22 26.531 8.287 12.821 1.00 0.00 C ATOM 281 C ARG X 22 27.155 7.621 11.600 1.00 0.00 C ATOM 282 O ARG X 22 27.781 8.283 10.770 1.00 0.00 O ATOM 283 CB ARG X 22 27.442 8.104 14.043 1.00 0.00 C ATOM 284 CG ARG X 22 26.969 8.999 15.174 1.00 0.00 C ATOM 285 CD ARG X 22 27.898 8.816 16.370 1.00 0.00 C ATOM 286 NE ARG X 22 27.399 9.570 17.498 1.00 0.00 N ATOM 287 CZ ARG X 22 28.066 9.617 18.657 1.00 0.00 C ATOM 288 NH1 ARG X 22 29.201 8.979 18.794 1.00 0.00 N ATOM 289 NH2 ARG X 22 27.585 10.300 19.668 1.00 0.00 N ATOM 0 H ARG X 22 25.136 7.236 13.986 1.00 0.00 H new ATOM 0 HA ARG X 22 26.419 9.351 12.613 1.00 0.00 H new ATOM 0 HB2 ARG X 22 27.432 7.062 14.363 1.00 0.00 H new ATOM 0 HB3 ARG X 22 28.472 8.347 13.780 1.00 0.00 H new ATOM 0 HG2 ARG X 22 26.967 10.041 14.854 1.00 0.00 H new ATOM 0 HG3 ARG X 22 25.945 8.748 15.450 1.00 0.00 H new ATOM 0 HD2 ARG X 22 27.968 7.760 16.629 1.00 0.00 H new ATOM 0 HD3 ARG X 22 28.904 9.149 16.115 1.00 0.00 H new ATOM 0 HE ARG X 22 26.519 10.078 17.408 1.00 0.00 H new ATOM 0 HH11 ARG X 22 29.582 8.442 18.015 1.00 0.00 H new ATOM 0 HH12 ARG X 22 29.705 9.019 19.680 1.00 0.00 H new ATOM 0 HH21 ARG X 22 26.700 10.798 19.572 1.00 0.00 H new ATOM 0 HH22 ARG X 22 28.096 10.334 20.550 1.00 0.00 H new ATOM 303 N GLY X 23 26.977 6.309 11.489 1.00 0.00 N ATOM 304 CA GLY X 23 27.521 5.566 10.358 1.00 0.00 C ATOM 305 C GLY X 23 29.032 5.415 10.484 1.00 0.00 C ATOM 306 O GLY X 23 29.630 5.843 11.473 1.00 0.00 O ATOM 0 H GLY X 23 26.464 5.741 12.163 1.00 0.00 H new ATOM 0 HA2 GLY X 23 27.056 4.582 10.307 1.00 0.00 H new ATOM 0 HA3 GLY X 23 27.279 6.082 9.429 1.00 0.00 H new ATOM 310 N PHE X 24 29.645 4.811 9.470 1.00 0.00 N ATOM 311 CA PHE X 24 31.091 4.610 9.469 1.00 0.00 C ATOM 312 C PHE X 24 31.611 4.448 8.049 1.00 0.00 C ATOM 313 O PHE X 24 30.843 4.195 7.121 1.00 0.00 O ATOM 314 CB PHE X 24 31.448 3.381 10.304 1.00 0.00 C ATOM 315 CG PHE X 24 30.762 2.168 9.731 1.00 0.00 C ATOM 316 CD1 PHE X 24 31.428 1.357 8.806 1.00 0.00 C ATOM 317 CD2 PHE X 24 29.454 1.860 10.120 1.00 0.00 C ATOM 318 CE1 PHE X 24 30.785 0.236 8.273 1.00 0.00 C ATOM 319 CE2 PHE X 24 28.811 0.738 9.587 1.00 0.00 C ATOM 320 CZ PHE X 24 29.476 -0.074 8.663 1.00 0.00 C ATOM 0 H PHE X 24 29.167 4.454 8.643 1.00 0.00 H new ATOM 0 HA PHE X 24 31.563 5.489 9.908 1.00 0.00 H new ATOM 0 HB2 PHE X 24 32.528 3.233 10.309 1.00 0.00 H new ATOM 0 HB3 PHE X 24 31.142 3.530 11.339 1.00 0.00 H new ATOM 0 HD1 PHE X 24 32.437 1.596 8.504 1.00 0.00 H new ATOM 0 HD2 PHE X 24 28.940 2.489 10.832 1.00 0.00 H new ATOM 0 HE1 PHE X 24 31.298 -0.392 7.560 1.00 0.00 H new ATOM 0 HE2 PHE X 24 27.802 0.499 9.889 1.00 0.00 H new ATOM 0 HZ PHE X 24 28.980 -0.940 8.250 1.00 0.00 H new ATOM 330 N TYR X 25 32.920 4.602 7.884 1.00 0.00 N ATOM 331 CA TYR X 25 33.529 4.477 6.565 1.00 0.00 C ATOM 332 C TYR X 25 34.912 3.843 6.671 1.00 0.00 C ATOM 333 O TYR X 25 35.462 3.715 7.765 1.00 0.00 O ATOM 334 CB TYR X 25 33.655 5.855 5.906 1.00 0.00 C ATOM 335 CG TYR X 25 34.717 6.664 6.617 1.00 0.00 C ATOM 336 CD1 TYR X 25 36.051 6.585 6.198 1.00 0.00 C ATOM 337 CD2 TYR X 25 34.370 7.487 7.695 1.00 0.00 C ATOM 338 CE1 TYR X 25 37.037 7.326 6.853 1.00 0.00 C ATOM 339 CE2 TYR X 25 35.359 8.232 8.351 1.00 0.00 C ATOM 340 CZ TYR X 25 36.693 8.150 7.931 1.00 0.00 C ATOM 341 OH TYR X 25 37.665 8.884 8.578 1.00 0.00 O ATOM 0 H TYR X 25 33.574 4.811 8.638 1.00 0.00 H new ATOM 0 HA TYR X 25 32.889 3.839 5.955 1.00 0.00 H new ATOM 0 HB2 TYR X 25 33.913 5.743 4.853 1.00 0.00 H new ATOM 0 HB3 TYR X 25 32.699 6.377 5.946 1.00 0.00 H new ATOM 0 HD1 TYR X 25 36.318 5.950 5.366 1.00 0.00 H new ATOM 0 HD2 TYR X 25 33.342 7.548 8.020 1.00 0.00 H new ATOM 0 HE1 TYR X 25 38.065 7.263 6.528 1.00 0.00 H new ATOM 0 HE2 TYR X 25 35.093 8.870 9.181 1.00 0.00 H new ATOM 0 HH TYR X 25 37.256 9.403 9.302 1.00 0.00 H new ATOM 351 N PHE X 26 35.468 3.449 5.530 1.00 0.00 N ATOM 352 CA PHE X 26 36.789 2.834 5.511 1.00 0.00 C ATOM 353 C PHE X 26 37.815 3.790 4.912 1.00 0.00 C ATOM 354 O PHE X 26 37.573 4.403 3.873 1.00 0.00 O ATOM 355 CB PHE X 26 36.752 1.544 4.689 1.00 0.00 C ATOM 356 CG PHE X 26 35.805 0.562 5.336 1.00 0.00 C ATOM 357 CD1 PHE X 26 34.489 0.449 4.875 1.00 0.00 C ATOM 358 CD2 PHE X 26 36.244 -0.234 6.397 1.00 0.00 C ATOM 359 CE1 PHE X 26 33.610 -0.460 5.476 1.00 0.00 C ATOM 360 CE2 PHE X 26 35.368 -1.143 6.999 1.00 0.00 C ATOM 361 CZ PHE X 26 34.051 -1.256 6.539 1.00 0.00 C ATOM 0 H PHE X 26 35.029 3.544 4.614 1.00 0.00 H new ATOM 0 HA PHE X 26 37.077 2.604 6.537 1.00 0.00 H new ATOM 0 HB2 PHE X 26 36.430 1.759 3.670 1.00 0.00 H new ATOM 0 HB3 PHE X 26 37.751 1.113 4.624 1.00 0.00 H new ATOM 0 HD1 PHE X 26 34.151 1.064 4.054 1.00 0.00 H new ATOM 0 HD2 PHE X 26 37.260 -0.147 6.752 1.00 0.00 H new ATOM 0 HE1 PHE X 26 32.594 -0.547 5.120 1.00 0.00 H new ATOM 0 HE2 PHE X 26 35.708 -1.758 7.819 1.00 0.00 H new ATOM 0 HZ PHE X 26 33.375 -1.958 7.005 1.00 0.00 H new ATOM 371 N ASN X 27 38.962 3.911 5.575 1.00 0.00 N ATOM 372 CA ASN X 27 40.022 4.795 5.100 1.00 0.00 C ATOM 373 C ASN X 27 40.522 4.345 3.731 1.00 0.00 C ATOM 374 O ASN X 27 40.804 5.170 2.861 1.00 0.00 O ATOM 375 CB ASN X 27 41.184 4.798 6.094 1.00 0.00 C ATOM 376 CG ASN X 27 40.786 5.548 7.361 1.00 0.00 C ATOM 377 OD1 ASN X 27 39.849 6.345 7.341 1.00 0.00 O ATOM 378 ND2 ASN X 27 41.446 5.338 8.466 1.00 0.00 N ATOM 0 H ASN X 27 39.180 3.412 6.437 1.00 0.00 H new ATOM 0 HA ASN X 27 39.617 5.803 5.013 1.00 0.00 H new ATOM 0 HB2 ASN X 27 41.465 3.774 6.341 1.00 0.00 H new ATOM 0 HB3 ASN X 27 42.058 5.268 5.643 1.00 0.00 H new ATOM 0 HD21 ASN X 27 41.186 5.835 9.318 1.00 0.00 H new ATOM 0 HD22 ASN X 27 42.222 4.676 8.479 1.00 0.00 H new ATOM 385 N LYS X 28 40.628 3.035 3.548 1.00 0.00 N ATOM 386 CA LYS X 28 41.094 2.485 2.279 1.00 0.00 C ATOM 387 C LYS X 28 40.130 1.416 1.769 1.00 0.00 C ATOM 388 O LYS X 28 40.406 0.220 1.867 1.00 0.00 O ATOM 389 CB LYS X 28 42.483 1.877 2.450 1.00 0.00 C ATOM 390 CG LYS X 28 43.462 2.963 2.903 1.00 0.00 C ATOM 391 CD LYS X 28 44.881 2.392 2.947 1.00 0.00 C ATOM 392 CE LYS X 28 44.994 1.373 4.082 1.00 0.00 C ATOM 393 NZ LYS X 28 44.730 2.052 5.383 1.00 0.00 N ATOM 0 H LYS X 28 40.400 2.337 4.256 1.00 0.00 H new ATOM 0 HA LYS X 28 41.139 3.296 1.552 1.00 0.00 H new ATOM 0 HB2 LYS X 28 42.451 1.072 3.184 1.00 0.00 H new ATOM 0 HB3 LYS X 28 42.818 1.439 1.510 1.00 0.00 H new ATOM 0 HG2 LYS X 28 43.422 3.811 2.219 1.00 0.00 H new ATOM 0 HG3 LYS X 28 43.178 3.334 3.888 1.00 0.00 H new ATOM 0 HD2 LYS X 28 45.122 1.918 1.995 1.00 0.00 H new ATOM 0 HD3 LYS X 28 45.602 3.196 3.095 1.00 0.00 H new ATOM 0 HE2 LYS X 28 44.281 0.563 3.931 1.00 0.00 H new ATOM 0 HE3 LYS X 28 45.988 0.926 4.087 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 45.183 1.518 6.152 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 45.118 3.016 5.356 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 43.704 2.096 5.550 1.00 0.00 H new ATOM 407 N PRO X 29 39.011 1.828 1.237 1.00 0.00 N ATOM 408 CA PRO X 29 37.975 0.893 0.702 1.00 0.00 C ATOM 409 C PRO X 29 38.552 -0.055 -0.347 1.00 0.00 C ATOM 410 O PRO X 29 38.060 -1.167 -0.526 1.00 0.00 O ATOM 411 CB PRO X 29 36.932 1.827 0.078 1.00 0.00 C ATOM 412 CG PRO X 29 37.119 3.136 0.768 1.00 0.00 C ATOM 413 CD PRO X 29 38.605 3.233 1.087 1.00 0.00 C ATOM 0 HA PRO X 29 37.564 0.246 1.477 1.00 0.00 H new ATOM 0 HB2 PRO X 29 37.082 1.923 -0.997 1.00 0.00 H new ATOM 0 HB3 PRO X 29 35.922 1.444 0.226 1.00 0.00 H new ATOM 0 HG2 PRO X 29 36.802 3.962 0.131 1.00 0.00 H new ATOM 0 HG3 PRO X 29 36.520 3.187 1.678 1.00 0.00 H new ATOM 0 HD2 PRO X 29 39.157 3.728 0.288 1.00 0.00 H new ATOM 0 HD3 PRO X 29 38.784 3.803 1.999 1.00 0.00 H new ATOM 421 N THR X 30 39.594 0.397 -1.038 1.00 0.00 N ATOM 422 CA THR X 30 40.226 -0.420 -2.069 1.00 0.00 C ATOM 423 C THR X 30 41.722 -0.559 -1.799 1.00 0.00 C ATOM 424 O THR X 30 42.299 0.224 -1.046 1.00 0.00 O ATOM 425 CB THR X 30 40.009 0.214 -3.445 1.00 0.00 C ATOM 426 OG1 THR X 30 40.621 1.496 -3.477 1.00 0.00 O ATOM 427 CG2 THR X 30 38.510 0.354 -3.715 1.00 0.00 C ATOM 0 H THR X 30 40.016 1.316 -0.905 1.00 0.00 H new ATOM 0 HA THR X 30 39.771 -1.411 -2.051 1.00 0.00 H new ATOM 0 HB THR X 30 40.455 -0.420 -4.211 1.00 0.00 H new ATOM 0 HG1 THR X 30 40.484 1.902 -4.358 1.00 0.00 H new ATOM 0 HG21 THR X 30 38.357 0.806 -4.695 1.00 0.00 H new ATOM 0 HG22 THR X 30 38.043 -0.631 -3.692 1.00 0.00 H new ATOM 0 HG23 THR X 30 38.060 0.987 -2.950 1.00 0.00 H new ATOM 435 N GLY X 31 42.343 -1.564 -2.415 1.00 0.00 N ATOM 436 CA GLY X 31 43.767 -1.794 -2.234 1.00 0.00 C ATOM 437 C GLY X 31 44.518 -1.614 -3.548 1.00 0.00 C ATOM 438 O GLY X 31 45.684 -1.994 -3.660 1.00 0.00 O ATOM 0 H GLY X 31 41.882 -2.226 -3.039 1.00 0.00 H new ATOM 0 HA2 GLY X 31 44.159 -1.102 -1.489 1.00 0.00 H new ATOM 0 HA3 GLY X 31 43.931 -2.801 -1.852 1.00 0.00 H new ATOM 442 N TYR X 32 43.845 -1.040 -4.545 1.00 0.00 N ATOM 443 CA TYR X 32 44.467 -0.833 -5.840 1.00 0.00 C ATOM 444 C TYR X 32 45.282 0.456 -5.840 1.00 0.00 C ATOM 445 O TYR X 32 44.727 1.554 -5.811 1.00 0.00 O ATOM 446 CB TYR X 32 43.392 -0.758 -6.925 1.00 0.00 C ATOM 447 CG TYR X 32 42.708 -2.097 -7.050 1.00 0.00 C ATOM 448 CD1 TYR X 32 41.572 -2.377 -6.281 1.00 0.00 C ATOM 449 CD2 TYR X 32 43.208 -3.058 -7.938 1.00 0.00 C ATOM 450 CE1 TYR X 32 40.938 -3.621 -6.398 1.00 0.00 C ATOM 451 CE2 TYR X 32 42.574 -4.300 -8.055 1.00 0.00 C ATOM 452 CZ TYR X 32 41.439 -4.581 -7.285 1.00 0.00 C ATOM 453 OH TYR X 32 40.812 -5.806 -7.401 1.00 0.00 O ATOM 0 H TYR X 32 42.880 -0.715 -4.477 1.00 0.00 H new ATOM 0 HA TYR X 32 45.133 -1.671 -6.044 1.00 0.00 H new ATOM 0 HB2 TYR X 32 42.663 0.013 -6.676 1.00 0.00 H new ATOM 0 HB3 TYR X 32 43.841 -0.477 -7.878 1.00 0.00 H new ATOM 0 HD1 TYR X 32 41.185 -1.635 -5.598 1.00 0.00 H new ATOM 0 HD2 TYR X 32 44.083 -2.840 -8.532 1.00 0.00 H new ATOM 0 HE1 TYR X 32 40.063 -3.839 -5.804 1.00 0.00 H new ATOM 0 HE2 TYR X 32 42.960 -5.041 -8.739 1.00 0.00 H new ATOM 0 HH TYR X 32 41.286 -6.355 -8.060 1.00 0.00 H new ATOM 463 N GLY X 33 46.604 0.313 -5.870 1.00 0.00 N ATOM 464 CA GLY X 33 47.485 1.475 -5.863 1.00 0.00 C ATOM 465 C GLY X 33 47.828 1.895 -4.434 1.00 0.00 C ATOM 466 O GLY X 33 48.675 2.764 -4.223 1.00 0.00 O ATOM 0 H GLY X 33 47.084 -0.586 -5.899 1.00 0.00 H new ATOM 0 HA2 GLY X 33 48.401 1.245 -6.408 1.00 0.00 H new ATOM 0 HA3 GLY X 33 47.004 2.303 -6.384 1.00 0.00 H new ATOM 470 N SER X 34 47.167 1.274 -3.455 1.00 0.00 N ATOM 471 CA SER X 34 47.418 1.589 -2.058 1.00 0.00 C ATOM 472 C SER X 34 47.921 0.353 -1.313 1.00 0.00 C ATOM 473 O SER X 34 48.356 0.450 -0.168 1.00 0.00 O ATOM 474 CB SER X 34 46.133 2.096 -1.405 1.00 0.00 C ATOM 475 OG SER X 34 45.163 1.057 -1.416 1.00 0.00 O ATOM 0 H SER X 34 46.459 0.555 -3.608 1.00 0.00 H new ATOM 0 HA SER X 34 48.183 2.364 -2.007 1.00 0.00 H new ATOM 0 HB2 SER X 34 46.332 2.414 -0.381 1.00 0.00 H new ATOM 0 HB3 SER X 34 45.757 2.967 -1.942 1.00 0.00 H new ATOM 0 HG SER X 34 44.279 1.432 -1.220 1.00 0.00 H new ATOM 481 N SER X 35 47.854 -0.807 -1.967 1.00 0.00 N ATOM 482 CA SER X 35 48.300 -2.046 -1.357 1.00 0.00 C ATOM 483 C SER X 35 49.066 -2.893 -2.366 1.00 0.00 C ATOM 484 O SER X 35 48.532 -3.273 -3.408 1.00 0.00 O ATOM 485 CB SER X 35 47.094 -2.828 -0.844 1.00 0.00 C ATOM 486 OG SER X 35 47.512 -4.127 -0.446 1.00 0.00 O ATOM 0 H SER X 35 47.495 -0.908 -2.916 1.00 0.00 H new ATOM 0 HA SER X 35 48.963 -1.807 -0.525 1.00 0.00 H new ATOM 0 HB2 SER X 35 46.639 -2.306 -0.002 1.00 0.00 H new ATOM 0 HB3 SER X 35 46.335 -2.900 -1.623 1.00 0.00 H new ATOM 0 HG SER X 35 46.740 -4.632 -0.114 1.00 0.00 H new ATOM 492 N SER X 36 50.318 -3.186 -2.047 1.00 0.00 N ATOM 493 CA SER X 36 51.154 -3.993 -2.930 1.00 0.00 C ATOM 494 C SER X 36 52.279 -4.653 -2.144 1.00 0.00 C ATOM 495 O SER X 36 52.779 -4.088 -1.172 1.00 0.00 O ATOM 496 CB SER X 36 51.744 -3.121 -4.037 1.00 0.00 C ATOM 497 OG SER X 36 52.555 -3.926 -4.884 1.00 0.00 O ATOM 0 H SER X 36 50.777 -2.880 -1.189 1.00 0.00 H new ATOM 0 HA SER X 36 50.533 -4.770 -3.376 1.00 0.00 H new ATOM 0 HB2 SER X 36 50.945 -2.655 -4.614 1.00 0.00 H new ATOM 0 HB3 SER X 36 52.337 -2.315 -3.605 1.00 0.00 H new ATOM 0 HG SER X 36 52.935 -3.371 -5.597 1.00 0.00 H new ATOM 503 N ARG X 37 52.678 -5.848 -2.572 1.00 0.00 N ATOM 504 CA ARG X 37 53.749 -6.573 -1.900 1.00 0.00 C ATOM 505 C ARG X 37 53.420 -6.776 -0.420 1.00 0.00 C ATOM 506 O ARG X 37 52.726 -7.728 -0.062 1.00 0.00 O ATOM 507 CB ARG X 37 55.066 -5.805 -2.041 1.00 0.00 C ATOM 508 CG ARG X 37 55.568 -5.884 -3.476 1.00 0.00 C ATOM 509 CD ARG X 37 56.852 -5.063 -3.607 1.00 0.00 C ATOM 510 NE ARG X 37 57.335 -5.114 -4.981 1.00 0.00 N ATOM 511 CZ ARG X 37 58.025 -6.160 -5.438 1.00 0.00 C ATOM 512 NH1 ARG X 37 58.285 -7.182 -4.659 1.00 0.00 N ATOM 513 NH2 ARG X 37 58.440 -6.171 -6.676 1.00 0.00 N ATOM 0 H ARG X 37 52.278 -6.331 -3.376 1.00 0.00 H new ATOM 0 HA ARG X 37 53.850 -7.552 -2.368 1.00 0.00 H new ATOM 0 HB2 ARG X 37 54.921 -4.763 -1.755 1.00 0.00 H new ATOM 0 HB3 ARG X 37 55.812 -6.220 -1.363 1.00 0.00 H new ATOM 0 HG2 ARG X 37 55.756 -6.922 -3.751 1.00 0.00 H new ATOM 0 HG3 ARG X 37 54.809 -5.505 -4.161 1.00 0.00 H new ATOM 0 HD2 ARG X 37 56.664 -4.029 -3.316 1.00 0.00 H new ATOM 0 HD3 ARG X 37 57.613 -5.451 -2.930 1.00 0.00 H new ATOM 0 HE ARG X 37 57.141 -4.332 -5.607 1.00 0.00 H new ATOM 0 HH11 ARG X 37 57.959 -7.183 -3.693 1.00 0.00 H new ATOM 0 HH12 ARG X 37 58.814 -7.976 -5.019 1.00 0.00 H new ATOM 0 HH21 ARG X 37 58.236 -5.382 -7.289 1.00 0.00 H new ATOM 0 HH22 ARG X 37 58.968 -6.969 -7.030 1.00 0.00 H new ATOM 527 N ARG X 38 53.924 -5.884 0.437 1.00 0.00 N ATOM 528 CA ARG X 38 53.678 -5.987 1.862 1.00 0.00 C ATOM 529 C ARG X 38 53.292 -4.629 2.428 1.00 0.00 C ATOM 530 O ARG X 38 53.624 -4.301 3.569 1.00 0.00 O ATOM 531 CB ARG X 38 54.930 -6.504 2.566 1.00 0.00 C ATOM 532 CG ARG X 38 55.180 -7.957 2.161 1.00 0.00 C ATOM 533 CD ARG X 38 56.433 -8.476 2.869 1.00 0.00 C ATOM 534 NE ARG X 38 56.699 -9.852 2.468 1.00 0.00 N ATOM 535 CZ ARG X 38 56.028 -10.874 3.001 1.00 0.00 C ATOM 536 NH1 ARG X 38 55.098 -10.665 3.900 1.00 0.00 N ATOM 537 NH2 ARG X 38 56.294 -12.095 2.620 1.00 0.00 N ATOM 0 H ARG X 38 54.501 -5.089 0.162 1.00 0.00 H new ATOM 0 HA ARG X 38 52.857 -6.684 2.029 1.00 0.00 H new ATOM 0 HB2 ARG X 38 55.790 -5.888 2.301 1.00 0.00 H new ATOM 0 HB3 ARG X 38 54.808 -6.432 3.647 1.00 0.00 H new ATOM 0 HG2 ARG X 38 54.320 -8.572 2.424 1.00 0.00 H new ATOM 0 HG3 ARG X 38 55.304 -8.028 1.080 1.00 0.00 H new ATOM 0 HD2 ARG X 38 57.287 -7.845 2.623 1.00 0.00 H new ATOM 0 HD3 ARG X 38 56.298 -8.423 3.949 1.00 0.00 H new ATOM 0 HE ARG X 38 57.414 -10.037 1.764 1.00 0.00 H new ATOM 0 HH11 ARG X 38 54.882 -9.714 4.198 1.00 0.00 H new ATOM 0 HH12 ARG X 38 54.590 -11.453 4.302 1.00 0.00 H new ATOM 0 HH21 ARG X 38 57.013 -12.265 1.917 1.00 0.00 H new ATOM 0 HH22 ARG X 38 55.783 -12.879 3.026 1.00 0.00 H new ATOM 551 N ALA X 39 52.599 -3.834 1.622 1.00 0.00 N ATOM 552 CA ALA X 39 52.181 -2.509 2.049 1.00 0.00 C ATOM 553 C ALA X 39 51.103 -2.610 3.122 1.00 0.00 C ATOM 554 O ALA X 39 50.498 -3.668 3.296 1.00 0.00 O ATOM 555 CB ALA X 39 51.644 -1.706 0.861 1.00 0.00 C ATOM 0 H ALA X 39 52.317 -4.084 0.674 1.00 0.00 H new ATOM 0 HA ALA X 39 53.050 -1.997 2.462 1.00 0.00 H new ATOM 0 HB1 ALA X 39 51.336 -0.717 1.200 1.00 0.00 H new ATOM 0 HB2 ALA X 39 52.425 -1.604 0.108 1.00 0.00 H new ATOM 0 HB3 ALA X 39 50.788 -2.224 0.429 1.00 0.00 H new ATOM 561 N PRO X 40 50.858 -1.539 3.835 1.00 0.00 N ATOM 562 CA PRO X 40 49.829 -1.498 4.917 1.00 0.00 C ATOM 563 C PRO X 40 48.423 -1.803 4.389 1.00 0.00 C ATOM 564 O PRO X 40 47.625 -0.901 4.140 1.00 0.00 O ATOM 565 CB PRO X 40 49.914 -0.060 5.455 1.00 0.00 C ATOM 566 CG PRO X 40 51.232 0.464 4.997 1.00 0.00 C ATOM 567 CD PRO X 40 51.534 -0.246 3.685 1.00 0.00 C ATOM 0 HA PRO X 40 50.013 -2.252 5.682 1.00 0.00 H new ATOM 0 HB2 PRO X 40 49.096 0.550 5.073 1.00 0.00 H new ATOM 0 HB3 PRO X 40 49.843 -0.044 6.543 1.00 0.00 H new ATOM 0 HG2 PRO X 40 51.195 1.544 4.856 1.00 0.00 H new ATOM 0 HG3 PRO X 40 52.009 0.265 5.736 1.00 0.00 H new ATOM 0 HD2 PRO X 40 51.151 0.311 2.830 1.00 0.00 H new ATOM 0 HD3 PRO X 40 52.606 -0.368 3.532 1.00 0.00 H new ATOM 575 N GLN X 41 48.129 -3.085 4.232 1.00 0.00 N ATOM 576 CA GLN X 41 46.822 -3.506 3.748 1.00 0.00 C ATOM 577 C GLN X 41 45.869 -3.764 4.916 1.00 0.00 C ATOM 578 O GLN X 41 44.815 -4.375 4.742 1.00 0.00 O ATOM 579 CB GLN X 41 46.955 -4.772 2.900 1.00 0.00 C ATOM 580 CG GLN X 41 47.432 -5.927 3.779 1.00 0.00 C ATOM 581 CD GLN X 41 47.651 -7.173 2.929 1.00 0.00 C ATOM 582 OE1 GLN X 41 46.741 -7.617 2.231 1.00 0.00 O ATOM 583 NE2 GLN X 41 48.813 -7.767 2.947 1.00 0.00 N ATOM 0 H GLN X 41 48.774 -3.849 4.432 1.00 0.00 H new ATOM 0 HA GLN X 41 46.412 -2.704 3.134 1.00 0.00 H new ATOM 0 HB2 GLN X 41 45.996 -5.020 2.445 1.00 0.00 H new ATOM 0 HB3 GLN X 41 47.661 -4.605 2.086 1.00 0.00 H new ATOM 0 HG2 GLN X 41 48.359 -5.653 4.283 1.00 0.00 H new ATOM 0 HG3 GLN X 41 46.696 -6.132 4.556 1.00 0.00 H new ATOM 0 HE21 GLN X 41 49.566 -7.397 3.527 1.00 0.00 H new ATOM 0 HE22 GLN X 41 48.968 -8.601 2.381 1.00 0.00 H new ATOM 592 N THR X 42 46.251 -3.298 6.102 1.00 0.00 N ATOM 593 CA THR X 42 45.426 -3.488 7.288 1.00 0.00 C ATOM 594 C THR X 42 44.236 -2.534 7.268 1.00 0.00 C ATOM 595 O THR X 42 44.206 -1.584 6.488 1.00 0.00 O ATOM 596 CB THR X 42 46.263 -3.240 8.546 1.00 0.00 C ATOM 597 OG1 THR X 42 46.710 -1.891 8.556 1.00 0.00 O ATOM 598 CG2 THR X 42 47.470 -4.181 8.556 1.00 0.00 C ATOM 0 H THR X 42 47.120 -2.790 6.265 1.00 0.00 H new ATOM 0 HA THR X 42 45.055 -4.513 7.294 1.00 0.00 H new ATOM 0 HB THR X 42 45.654 -3.429 9.430 1.00 0.00 H new ATOM 0 HG1 THR X 42 47.245 -1.729 9.361 1.00 0.00 H new ATOM 0 HG21 THR X 42 48.064 -4.002 9.453 1.00 0.00 H new ATOM 0 HG22 THR X 42 47.125 -5.215 8.550 1.00 0.00 H new ATOM 0 HG23 THR X 42 48.082 -3.997 7.673 1.00 0.00 H new ATOM 606 N GLY X 43 43.256 -2.796 8.129 1.00 0.00 N ATOM 607 CA GLY X 43 42.070 -1.961 8.199 1.00 0.00 C ATOM 608 C GLY X 43 41.375 -2.123 9.546 1.00 0.00 C ATOM 609 O GLY X 43 41.831 -2.875 10.408 1.00 0.00 O ATOM 0 H GLY X 43 43.263 -3.578 8.784 1.00 0.00 H new ATOM 0 HA2 GLY X 43 42.345 -0.917 8.049 1.00 0.00 H new ATOM 0 HA3 GLY X 43 41.383 -2.228 7.396 1.00 0.00 H new ATOM 613 N ILE X 44 40.274 -1.410 9.722 1.00 0.00 N ATOM 614 CA ILE X 44 39.522 -1.472 10.971 1.00 0.00 C ATOM 615 C ILE X 44 38.927 -2.863 11.165 1.00 0.00 C ATOM 616 O ILE X 44 38.783 -3.336 12.295 1.00 0.00 O ATOM 617 CB ILE X 44 38.401 -0.423 10.960 1.00 0.00 C ATOM 618 CG1 ILE X 44 37.341 -0.802 9.916 1.00 0.00 C ATOM 619 CG2 ILE X 44 38.989 0.948 10.612 1.00 0.00 C ATOM 620 CD1 ILE X 44 36.212 0.225 9.933 1.00 0.00 C ATOM 0 H ILE X 44 39.880 -0.783 9.020 1.00 0.00 H new ATOM 0 HA ILE X 44 40.201 -1.263 11.797 1.00 0.00 H new ATOM 0 HB ILE X 44 37.937 -0.385 11.946 1.00 0.00 H new ATOM 0 HG12 ILE X 44 37.792 -0.845 8.925 1.00 0.00 H new ATOM 0 HG13 ILE X 44 36.945 -1.795 10.129 1.00 0.00 H new ATOM 0 HG21 ILE X 44 38.194 1.693 10.604 1.00 0.00 H new ATOM 0 HG22 ILE X 44 39.737 1.223 11.356 1.00 0.00 H new ATOM 0 HG23 ILE X 44 39.456 0.905 9.628 1.00 0.00 H new ATOM 0 HD11 ILE X 44 35.461 -0.047 9.191 1.00 0.00 H new ATOM 0 HD12 ILE X 44 35.754 0.246 10.922 1.00 0.00 H new ATOM 0 HD13 ILE X 44 36.613 1.211 9.699 1.00 0.00 H new ATOM 632 N VAL X 45 38.578 -3.506 10.052 1.00 0.00 N ATOM 633 CA VAL X 45 37.999 -4.839 10.103 1.00 0.00 C ATOM 634 C VAL X 45 38.994 -5.843 10.645 1.00 0.00 C ATOM 635 O VAL X 45 38.654 -6.669 11.485 1.00 0.00 O ATOM 636 CB VAL X 45 37.539 -5.272 8.714 1.00 0.00 C ATOM 637 CG1 VAL X 45 37.160 -6.756 8.740 1.00 0.00 C ATOM 638 CG2 VAL X 45 36.320 -4.443 8.300 1.00 0.00 C ATOM 0 H VAL X 45 38.687 -3.125 9.112 1.00 0.00 H new ATOM 0 HA VAL X 45 37.140 -4.804 10.773 1.00 0.00 H new ATOM 0 HB VAL X 45 38.347 -5.116 7.999 1.00 0.00 H new ATOM 0 HG11 VAL X 45 36.831 -7.065 7.748 1.00 0.00 H new ATOM 0 HG12 VAL X 45 38.026 -7.348 9.036 1.00 0.00 H new ATOM 0 HG13 VAL X 45 36.352 -6.913 9.455 1.00 0.00 H new ATOM 0 HG21 VAL X 45 35.990 -4.751 7.308 1.00 0.00 H new ATOM 0 HG22 VAL X 45 35.513 -4.600 9.016 1.00 0.00 H new ATOM 0 HG23 VAL X 45 36.588 -3.387 8.281 1.00 0.00 H new ATOM 648 N ASP X 46 40.220 -5.770 10.151 1.00 0.00 N ATOM 649 CA ASP X 46 41.263 -6.684 10.587 1.00 0.00 C ATOM 650 C ASP X 46 41.554 -6.494 12.069 1.00 0.00 C ATOM 651 O ASP X 46 41.802 -7.457 12.783 1.00 0.00 O ATOM 652 CB ASP X 46 42.540 -6.442 9.786 1.00 0.00 C ATOM 653 CG ASP X 46 42.360 -6.926 8.353 1.00 0.00 C ATOM 654 OD1 ASP X 46 41.389 -7.619 8.102 1.00 0.00 O ATOM 655 OD2 ASP X 46 43.196 -6.597 7.529 1.00 0.00 O ATOM 0 H ASP X 46 40.516 -5.090 9.451 1.00 0.00 H new ATOM 0 HA ASP X 46 40.916 -7.704 10.420 1.00 0.00 H new ATOM 0 HB2 ASP X 46 42.786 -5.380 9.791 1.00 0.00 H new ATOM 0 HB3 ASP X 46 43.375 -6.965 10.252 1.00 0.00 H new ATOM 660 N GLU X 47 41.549 -5.247 12.528 1.00 0.00 N ATOM 661 CA GLU X 47 41.843 -4.980 13.932 1.00 0.00 C ATOM 662 C GLU X 47 40.812 -5.636 14.848 1.00 0.00 C ATOM 663 O GLU X 47 41.175 -6.350 15.782 1.00 0.00 O ATOM 664 CB GLU X 47 41.822 -3.467 14.165 1.00 0.00 C ATOM 665 CG GLU X 47 42.129 -3.161 15.633 1.00 0.00 C ATOM 666 CD GLU X 47 43.532 -3.645 15.978 1.00 0.00 C ATOM 667 OE1 GLU X 47 44.317 -3.820 15.061 1.00 0.00 O ATOM 668 OE2 GLU X 47 43.799 -3.835 17.152 1.00 0.00 O ATOM 0 H GLU X 47 41.349 -4.421 11.963 1.00 0.00 H new ATOM 0 HA GLU X 47 42.824 -5.394 14.164 1.00 0.00 H new ATOM 0 HB2 GLU X 47 42.556 -2.981 13.522 1.00 0.00 H new ATOM 0 HB3 GLU X 47 40.846 -3.063 13.897 1.00 0.00 H new ATOM 0 HG2 GLU X 47 42.049 -2.089 15.815 1.00 0.00 H new ATOM 0 HG3 GLU X 47 41.397 -3.649 16.277 1.00 0.00 H new ATOM 675 N CYS X 48 39.538 -5.398 14.574 1.00 0.00 N ATOM 676 CA CYS X 48 38.475 -5.975 15.387 1.00 0.00 C ATOM 677 C CYS X 48 38.360 -7.481 15.147 1.00 0.00 C ATOM 678 O CYS X 48 38.151 -8.260 16.076 1.00 0.00 O ATOM 679 CB CYS X 48 37.145 -5.309 15.054 1.00 0.00 C ATOM 680 SG CYS X 48 37.173 -3.596 15.629 1.00 0.00 S ATOM 0 H CYS X 48 39.216 -4.815 13.802 1.00 0.00 H new ATOM 0 HA CYS X 48 38.720 -5.804 16.435 1.00 0.00 H new ATOM 0 HB2 CYS X 48 36.969 -5.341 13.979 1.00 0.00 H new ATOM 0 HB3 CYS X 48 36.326 -5.850 15.528 1.00 0.00 H new ATOM 685 N CYS X 49 38.490 -7.881 13.885 1.00 0.00 N ATOM 686 CA CYS X 49 38.384 -9.287 13.519 1.00 0.00 C ATOM 687 C CYS X 49 39.465 -10.109 14.203 1.00 0.00 C ATOM 688 O CYS X 49 39.186 -11.157 14.789 1.00 0.00 O ATOM 689 CB CYS X 49 38.507 -9.444 11.998 1.00 0.00 C ATOM 690 SG CYS X 49 38.295 -11.183 11.547 1.00 0.00 S ATOM 0 H CYS X 49 38.668 -7.252 13.102 1.00 0.00 H new ATOM 0 HA CYS X 49 37.410 -9.650 13.846 1.00 0.00 H new ATOM 0 HB2 CYS X 49 37.755 -8.834 11.498 1.00 0.00 H new ATOM 0 HB3 CYS X 49 39.481 -9.087 11.663 1.00 0.00 H new ATOM 695 N PHE X 50 40.705 -9.629 14.131 1.00 0.00 N ATOM 696 CA PHE X 50 41.818 -10.336 14.751 1.00 0.00 C ATOM 697 C PHE X 50 41.946 -9.940 16.217 1.00 0.00 C ATOM 698 O PHE X 50 41.711 -10.751 17.119 1.00 0.00 O ATOM 699 CB PHE X 50 43.118 -10.001 14.008 1.00 0.00 C ATOM 700 CG PHE X 50 43.133 -10.728 12.680 1.00 0.00 C ATOM 701 CD1 PHE X 50 42.419 -10.206 11.591 1.00 0.00 C ATOM 702 CD2 PHE X 50 43.864 -11.910 12.537 1.00 0.00 C ATOM 703 CE1 PHE X 50 42.434 -10.868 10.360 1.00 0.00 C ATOM 704 CE2 PHE X 50 43.880 -12.575 11.306 1.00 0.00 C ATOM 705 CZ PHE X 50 43.165 -12.055 10.217 1.00 0.00 C ATOM 0 H PHE X 50 40.960 -8.764 13.655 1.00 0.00 H new ATOM 0 HA PHE X 50 41.632 -11.408 14.693 1.00 0.00 H new ATOM 0 HB2 PHE X 50 43.193 -8.925 13.848 1.00 0.00 H new ATOM 0 HB3 PHE X 50 43.980 -10.295 14.607 1.00 0.00 H new ATOM 0 HD1 PHE X 50 41.857 -9.291 11.704 1.00 0.00 H new ATOM 0 HD2 PHE X 50 44.416 -12.310 13.375 1.00 0.00 H new ATOM 0 HE1 PHE X 50 41.884 -10.466 9.522 1.00 0.00 H new ATOM 0 HE2 PHE X 50 44.443 -13.490 11.194 1.00 0.00 H new ATOM 0 HZ PHE X 50 43.178 -12.570 9.268 1.00 0.00 H new ATOM 715 N ARG X 51 42.313 -8.682 16.452 1.00 0.00 N ATOM 716 CA ARG X 51 42.465 -8.180 17.813 1.00 0.00 C ATOM 717 C ARG X 51 41.108 -7.803 18.399 1.00 0.00 C ATOM 718 O ARG X 51 40.135 -7.625 17.668 1.00 0.00 O ATOM 719 CB ARG X 51 43.385 -6.955 17.826 1.00 0.00 C ATOM 720 CG ARG X 51 44.815 -7.386 17.507 1.00 0.00 C ATOM 721 CD ARG X 51 45.729 -6.159 17.511 1.00 0.00 C ATOM 722 NE ARG X 51 47.100 -6.557 17.214 1.00 0.00 N ATOM 723 CZ ARG X 51 47.891 -7.079 18.155 1.00 0.00 C ATOM 724 NH1 ARG X 51 47.451 -7.253 19.376 1.00 0.00 N ATOM 725 NH2 ARG X 51 49.115 -7.423 17.855 1.00 0.00 N ATOM 0 H ARG X 51 42.509 -7.997 15.722 1.00 0.00 H new ATOM 0 HA ARG X 51 42.907 -8.970 18.421 1.00 0.00 H new ATOM 0 HB2 ARG X 51 43.043 -6.223 17.094 1.00 0.00 H new ATOM 0 HB3 ARG X 51 43.349 -6.471 18.802 1.00 0.00 H new ATOM 0 HG2 ARG X 51 45.160 -8.113 18.243 1.00 0.00 H new ATOM 0 HG3 ARG X 51 44.850 -7.876 16.534 1.00 0.00 H new ATOM 0 HD2 ARG X 51 45.384 -5.436 16.772 1.00 0.00 H new ATOM 0 HD3 ARG X 51 45.687 -5.667 18.483 1.00 0.00 H new ATOM 0 HE ARG X 51 47.462 -6.434 16.268 1.00 0.00 H new ATOM 0 HH11 ARG X 51 46.495 -6.989 19.616 1.00 0.00 H new ATOM 0 HH12 ARG X 51 48.064 -7.653 20.087 1.00 0.00 H new ATOM 0 HH21 ARG X 51 49.463 -7.293 16.905 1.00 0.00 H new ATOM 0 HH22 ARG X 51 49.723 -7.822 18.571 1.00 0.00 H new ATOM 739 N SER X 52 41.047 -7.682 19.720 1.00 0.00 N ATOM 740 CA SER X 52 39.800 -7.321 20.380 1.00 0.00 C ATOM 741 C SER X 52 39.709 -5.807 20.553 1.00 0.00 C ATOM 742 O SER X 52 40.172 -5.258 21.552 1.00 0.00 O ATOM 743 CB SER X 52 39.723 -7.997 21.749 1.00 0.00 C ATOM 744 OG SER X 52 38.526 -7.601 22.403 1.00 0.00 O ATOM 0 H SER X 52 41.837 -7.827 20.348 1.00 0.00 H new ATOM 0 HA SER X 52 38.968 -7.657 19.761 1.00 0.00 H new ATOM 0 HB2 SER X 52 39.746 -9.081 21.634 1.00 0.00 H new ATOM 0 HB3 SER X 52 40.588 -7.722 22.352 1.00 0.00 H new ATOM 0 HG SER X 52 38.474 -8.034 23.280 1.00 0.00 H new ATOM 750 N CYS X 53 39.103 -5.140 19.577 1.00 0.00 N ATOM 751 CA CYS X 53 38.954 -3.692 19.635 1.00 0.00 C ATOM 752 C CYS X 53 37.820 -3.312 20.584 1.00 0.00 C ATOM 753 O CYS X 53 36.854 -4.058 20.745 1.00 0.00 O ATOM 754 CB CYS X 53 38.667 -3.146 18.232 1.00 0.00 C ATOM 755 SG CYS X 53 37.068 -3.757 17.645 1.00 0.00 S ATOM 0 H CYS X 53 38.710 -5.575 18.743 1.00 0.00 H new ATOM 0 HA CYS X 53 39.881 -3.257 20.009 1.00 0.00 H new ATOM 0 HB2 CYS X 53 38.665 -2.056 18.250 1.00 0.00 H new ATOM 0 HB3 CYS X 53 39.457 -3.451 17.545 1.00 0.00 H new ATOM 760 N ASP X 54 37.948 -2.148 21.211 1.00 0.00 N ATOM 761 CA ASP X 54 36.931 -1.675 22.145 1.00 0.00 C ATOM 762 C ASP X 54 35.933 -0.759 21.447 1.00 0.00 C ATOM 763 O ASP X 54 36.246 -0.125 20.440 1.00 0.00 O ATOM 764 CB ASP X 54 37.593 -0.927 23.305 1.00 0.00 C ATOM 765 CG ASP X 54 38.318 -1.913 24.218 1.00 0.00 C ATOM 766 OD1 ASP X 54 38.075 -3.102 24.083 1.00 0.00 O ATOM 767 OD2 ASP X 54 39.104 -1.465 25.034 1.00 0.00 O ATOM 0 H ASP X 54 38.741 -1.517 21.091 1.00 0.00 H new ATOM 0 HA ASP X 54 36.394 -2.542 22.530 1.00 0.00 H new ATOM 0 HB2 ASP X 54 38.298 -0.191 22.918 1.00 0.00 H new ATOM 0 HB3 ASP X 54 36.840 -0.380 23.872 1.00 0.00 H new ATOM 772 N LEU X 55 34.724 -0.695 21.988 1.00 0.00 N ATOM 773 CA LEU X 55 33.681 0.148 21.412 1.00 0.00 C ATOM 774 C LEU X 55 34.085 1.614 21.470 1.00 0.00 C ATOM 775 O LEU X 55 33.796 2.387 20.554 1.00 0.00 O ATOM 776 CB LEU X 55 32.365 -0.055 22.166 1.00 0.00 C ATOM 777 CG LEU X 55 31.831 -1.465 21.891 1.00 0.00 C ATOM 778 CD1 LEU X 55 30.647 -1.750 22.819 1.00 0.00 C ATOM 779 CD2 LEU X 55 31.369 -1.565 20.432 1.00 0.00 C ATOM 0 H LEU X 55 34.441 -1.213 22.820 1.00 0.00 H new ATOM 0 HA LEU X 55 33.546 -0.137 20.369 1.00 0.00 H new ATOM 0 HB2 LEU X 55 32.521 0.084 23.236 1.00 0.00 H new ATOM 0 HB3 LEU X 55 31.634 0.690 21.851 1.00 0.00 H new ATOM 0 HG LEU X 55 32.622 -2.193 22.072 1.00 0.00 H new ATOM 0 HD11 LEU X 55 30.266 -2.753 22.625 1.00 0.00 H new ATOM 0 HD12 LEU X 55 30.973 -1.680 23.857 1.00 0.00 H new ATOM 0 HD13 LEU X 55 29.858 -1.020 22.637 1.00 0.00 H new ATOM 0 HD21 LEU X 55 30.990 -2.568 20.238 1.00 0.00 H new ATOM 0 HD22 LEU X 55 30.579 -0.837 20.250 1.00 0.00 H new ATOM 0 HD23 LEU X 55 32.210 -1.361 19.769 1.00 0.00 H new ATOM 791 N ARG X 56 34.747 1.996 22.556 1.00 0.00 N ATOM 792 CA ARG X 56 35.172 3.375 22.726 1.00 0.00 C ATOM 793 C ARG X 56 36.060 3.799 21.563 1.00 0.00 C ATOM 794 O ARG X 56 35.945 4.917 21.077 1.00 0.00 O ATOM 795 CB ARG X 56 35.943 3.531 24.041 1.00 0.00 C ATOM 796 CG ARG X 56 36.425 4.977 24.210 1.00 0.00 C ATOM 797 CD ARG X 56 35.222 5.906 24.396 1.00 0.00 C ATOM 798 NE ARG X 56 35.673 7.280 24.542 1.00 0.00 N ATOM 799 CZ ARG X 56 36.022 8.011 23.483 1.00 0.00 C ATOM 800 NH1 ARG X 56 35.977 7.503 22.275 1.00 0.00 N ATOM 801 NH2 ARG X 56 36.417 9.244 23.650 1.00 0.00 N ATOM 0 H ARG X 56 34.998 1.374 23.325 1.00 0.00 H new ATOM 0 HA ARG X 56 34.286 4.010 22.751 1.00 0.00 H new ATOM 0 HB2 ARG X 56 35.304 3.254 24.880 1.00 0.00 H new ATOM 0 HB3 ARG X 56 36.796 2.853 24.052 1.00 0.00 H new ATOM 0 HG2 ARG X 56 37.089 5.050 25.071 1.00 0.00 H new ATOM 0 HG3 ARG X 56 37.001 5.283 23.336 1.00 0.00 H new ATOM 0 HD2 ARG X 56 34.552 5.823 23.540 1.00 0.00 H new ATOM 0 HD3 ARG X 56 34.653 5.606 25.276 1.00 0.00 H new ATOM 0 HE ARG X 56 35.724 7.693 25.473 1.00 0.00 H new ATOM 0 HH11 ARG X 56 35.673 6.539 22.138 1.00 0.00 H new ATOM 0 HH12 ARG X 56 36.246 8.072 21.472 1.00 0.00 H new ATOM 0 HH21 ARG X 56 36.458 9.644 24.587 1.00 0.00 H new ATOM 0 HH22 ARG X 56 36.685 9.807 22.843 1.00 0.00 H new ATOM 815 N ARG X 57 36.948 2.912 21.135 1.00 0.00 N ATOM 816 CA ARG X 57 37.844 3.214 20.030 1.00 0.00 C ATOM 817 C ARG X 57 37.166 2.891 18.695 1.00 0.00 C ATOM 818 O ARG X 57 37.597 3.357 17.645 1.00 0.00 O ATOM 819 CB ARG X 57 39.122 2.389 20.168 1.00 0.00 C ATOM 820 CG ARG X 57 40.305 3.217 19.683 1.00 0.00 C ATOM 821 CD ARG X 57 41.607 2.565 20.137 1.00 0.00 C ATOM 822 NE ARG X 57 41.850 1.334 19.395 1.00 0.00 N ATOM 823 CZ ARG X 57 42.921 0.580 19.639 1.00 0.00 C ATOM 824 NH1 ARG X 57 43.788 0.930 20.556 1.00 0.00 N ATOM 825 NH2 ARG X 57 43.110 -0.516 18.955 1.00 0.00 N ATOM 0 H ARG X 57 37.066 1.981 21.535 1.00 0.00 H new ATOM 0 HA ARG X 57 38.090 4.276 20.054 1.00 0.00 H new ATOM 0 HB2 ARG X 57 39.270 2.095 21.207 1.00 0.00 H new ATOM 0 HB3 ARG X 57 39.042 1.471 19.586 1.00 0.00 H new ATOM 0 HG2 ARG X 57 40.286 3.295 18.596 1.00 0.00 H new ATOM 0 HG3 ARG X 57 40.238 4.231 20.077 1.00 0.00 H new ATOM 0 HD2 ARG X 57 42.437 3.256 19.988 1.00 0.00 H new ATOM 0 HD3 ARG X 57 41.559 2.349 21.204 1.00 0.00 H new ATOM 0 HE ARG X 57 41.188 1.044 18.675 1.00 0.00 H new ATOM 0 HH11 ARG X 57 43.647 1.787 21.091 1.00 0.00 H new ATOM 0 HH12 ARG X 57 44.605 0.346 20.735 1.00 0.00 H new ATOM 0 HH21 ARG X 57 42.439 -0.792 18.238 1.00 0.00 H new ATOM 0 HH22 ARG X 57 43.928 -1.097 19.138 1.00 0.00 H new ATOM 839 N LEU X 58 36.117 2.079 18.747 1.00 0.00 N ATOM 840 CA LEU X 58 35.393 1.691 17.542 1.00 0.00 C ATOM 841 C LEU X 58 34.684 2.893 16.925 1.00 0.00 C ATOM 842 O LEU X 58 34.559 2.993 15.703 1.00 0.00 O ATOM 843 CB LEU X 58 34.366 0.610 17.870 1.00 0.00 C ATOM 844 CG LEU X 58 33.820 0.011 16.571 1.00 0.00 C ATOM 845 CD1 LEU X 58 34.893 -0.869 15.924 1.00 0.00 C ATOM 846 CD2 LEU X 58 32.584 -0.835 16.876 1.00 0.00 C ATOM 0 H LEU X 58 35.749 1.677 19.609 1.00 0.00 H new ATOM 0 HA LEU X 58 36.115 1.301 16.825 1.00 0.00 H new ATOM 0 HB2 LEU X 58 34.825 -0.170 18.477 1.00 0.00 H new ATOM 0 HB3 LEU X 58 33.552 1.034 18.458 1.00 0.00 H new ATOM 0 HG LEU X 58 33.548 0.816 15.888 1.00 0.00 H new ATOM 0 HD11 LEU X 58 34.505 -1.296 14.999 1.00 0.00 H new ATOM 0 HD12 LEU X 58 35.774 -0.266 15.704 1.00 0.00 H new ATOM 0 HD13 LEU X 58 35.165 -1.673 16.608 1.00 0.00 H new ATOM 0 HD21 LEU X 58 32.197 -1.260 15.950 1.00 0.00 H new ATOM 0 HD22 LEU X 58 32.854 -1.640 17.560 1.00 0.00 H new ATOM 0 HD23 LEU X 58 31.819 -0.209 17.335 1.00 0.00 H new ATOM 858 N ASP X 59 34.199 3.791 17.777 1.00 0.00 N ATOM 859 CA ASP X 59 33.488 4.974 17.301 1.00 0.00 C ATOM 860 C ASP X 59 34.408 5.871 16.468 1.00 0.00 C ATOM 861 O ASP X 59 33.950 6.799 15.800 1.00 0.00 O ATOM 862 CB ASP X 59 32.935 5.762 18.493 1.00 0.00 C ATOM 863 CG ASP X 59 34.076 6.283 19.364 1.00 0.00 C ATOM 864 OD1 ASP X 59 35.219 6.021 19.036 1.00 0.00 O ATOM 865 OD2 ASP X 59 33.788 6.944 20.351 1.00 0.00 O ATOM 0 H ASP X 59 34.284 3.724 18.791 1.00 0.00 H new ATOM 0 HA ASP X 59 32.665 4.646 16.667 1.00 0.00 H new ATOM 0 HB2 ASP X 59 32.331 6.597 18.136 1.00 0.00 H new ATOM 0 HB3 ASP X 59 32.279 5.124 19.086 1.00 0.00 H new ATOM 870 N MET X 60 35.708 5.593 16.508 1.00 0.00 N ATOM 871 CA MET X 60 36.669 6.373 15.753 1.00 0.00 C ATOM 872 C MET X 60 36.438 6.197 14.258 1.00 0.00 C ATOM 873 O MET X 60 36.593 7.137 13.482 1.00 0.00 O ATOM 874 CB MET X 60 38.090 5.943 16.108 1.00 0.00 C ATOM 875 CG MET X 60 38.408 6.367 17.543 1.00 0.00 C ATOM 876 SD MET X 60 40.099 5.874 17.953 1.00 0.00 S ATOM 877 CE MET X 60 40.946 7.094 16.921 1.00 0.00 C ATOM 0 H MET X 60 36.114 4.834 17.055 1.00 0.00 H new ATOM 0 HA MET X 60 36.538 7.424 16.010 1.00 0.00 H new ATOM 0 HB2 MET X 60 38.190 4.862 16.006 1.00 0.00 H new ATOM 0 HB3 MET X 60 38.802 6.396 15.418 1.00 0.00 H new ATOM 0 HG2 MET X 60 38.296 7.446 17.649 1.00 0.00 H new ATOM 0 HG3 MET X 60 37.704 5.904 18.235 1.00 0.00 H new ATOM 0 HE1 MET X 60 41.927 7.311 17.345 1.00 0.00 H new ATOM 0 HE2 MET X 60 41.066 6.697 15.913 1.00 0.00 H new ATOM 0 HE3 MET X 60 40.357 8.010 16.883 1.00 0.00 H new ATOM 887 N TYR X 61 36.072 4.979 13.860 1.00 0.00 N ATOM 888 CA TYR X 61 35.824 4.686 12.455 1.00 0.00 C ATOM 889 C TYR X 61 34.457 5.220 12.022 1.00 0.00 C ATOM 890 O TYR X 61 34.143 5.245 10.828 1.00 0.00 O ATOM 891 CB TYR X 61 35.880 3.177 12.221 1.00 0.00 C ATOM 892 CG TYR X 61 37.002 2.584 13.038 1.00 0.00 C ATOM 893 CD1 TYR X 61 36.734 1.573 13.969 1.00 0.00 C ATOM 894 CD2 TYR X 61 38.315 3.046 12.864 1.00 0.00 C ATOM 895 CE1 TYR X 61 37.779 1.026 14.724 1.00 0.00 C ATOM 896 CE2 TYR X 61 39.357 2.495 13.620 1.00 0.00 C ATOM 897 CZ TYR X 61 39.088 1.486 14.549 1.00 0.00 C ATOM 898 OH TYR X 61 40.115 0.943 15.295 1.00 0.00 O ATOM 0 H TYR X 61 35.942 4.186 14.488 1.00 0.00 H new ATOM 0 HA TYR X 61 36.595 5.177 11.861 1.00 0.00 H new ATOM 0 HB2 TYR X 61 34.931 2.719 12.500 1.00 0.00 H new ATOM 0 HB3 TYR X 61 36.036 2.968 11.163 1.00 0.00 H new ATOM 0 HD1 TYR X 61 35.724 1.216 14.105 1.00 0.00 H new ATOM 0 HD2 TYR X 61 38.522 3.827 12.147 1.00 0.00 H new ATOM 0 HE1 TYR X 61 37.573 0.247 15.443 1.00 0.00 H new ATOM 0 HE2 TYR X 61 40.368 2.850 13.485 1.00 0.00 H new ATOM 0 HH TYR X 61 40.960 1.374 15.050 1.00 0.00 H new ATOM 908 N CYS X 62 33.652 5.655 12.993 1.00 0.00 N ATOM 909 CA CYS X 62 32.333 6.193 12.694 1.00 0.00 C ATOM 910 C CYS X 62 32.441 7.646 12.238 1.00 0.00 C ATOM 911 O CYS X 62 33.327 8.378 12.675 1.00 0.00 O ATOM 912 CB CYS X 62 31.440 6.106 13.931 1.00 0.00 C ATOM 913 SG CYS X 62 31.010 4.378 14.252 1.00 0.00 S ATOM 0 H CYS X 62 33.892 5.644 13.984 1.00 0.00 H new ATOM 0 HA CYS X 62 31.892 5.603 11.890 1.00 0.00 H new ATOM 0 HB2 CYS X 62 31.955 6.529 14.794 1.00 0.00 H new ATOM 0 HB3 CYS X 62 30.535 6.694 13.780 1.00 0.00 H new ATOM 918 N ALA X 63 31.536 8.052 11.353 1.00 0.00 N ATOM 919 CA ALA X 63 31.540 9.406 10.839 1.00 0.00 C ATOM 920 C ALA X 63 31.109 10.392 11.927 1.00 0.00 C ATOM 921 O ALA X 63 30.403 10.027 12.866 1.00 0.00 O ATOM 922 CB ALA X 63 30.588 9.518 9.643 1.00 0.00 C ATOM 0 H ALA X 63 30.794 7.459 10.981 1.00 0.00 H new ATOM 0 HA ALA X 63 32.553 9.649 10.519 1.00 0.00 H new ATOM 0 HB1 ALA X 63 30.598 10.540 9.264 1.00 0.00 H new ATOM 0 HB2 ALA X 63 30.910 8.836 8.856 1.00 0.00 H new ATOM 0 HB3 ALA X 63 29.577 9.258 9.957 1.00 0.00 H new ATOM 928 N PRO X 64 31.517 11.625 11.811 1.00 0.00 N ATOM 929 CA PRO X 64 31.170 12.690 12.793 1.00 0.00 C ATOM 930 C PRO X 64 29.724 13.158 12.651 1.00 0.00 C ATOM 931 O PRO X 64 29.119 13.019 11.589 1.00 0.00 O ATOM 932 CB PRO X 64 32.154 13.815 12.466 1.00 0.00 C ATOM 933 CG PRO X 64 32.488 13.637 11.023 1.00 0.00 C ATOM 934 CD PRO X 64 32.354 12.141 10.721 1.00 0.00 C ATOM 0 HA PRO X 64 31.246 12.341 13.823 1.00 0.00 H new ATOM 0 HB2 PRO X 64 31.709 14.793 12.649 1.00 0.00 H new ATOM 0 HB3 PRO X 64 33.047 13.750 13.088 1.00 0.00 H new ATOM 0 HG2 PRO X 64 31.814 14.220 10.395 1.00 0.00 H new ATOM 0 HG3 PRO X 64 33.500 13.985 10.814 1.00 0.00 H new ATOM 0 HD2 PRO X 64 31.891 11.971 9.749 1.00 0.00 H new ATOM 0 HD3 PRO X 64 33.327 11.651 10.700 1.00 0.00 H new ATOM 942 N LEU X 65 29.180 13.711 13.729 1.00 0.00 N ATOM 943 CA LEU X 65 27.803 14.197 13.716 1.00 0.00 C ATOM 944 C LEU X 65 27.693 15.472 12.891 1.00 0.00 C ATOM 945 O LEU X 65 28.611 16.295 12.871 1.00 0.00 O ATOM 946 CB LEU X 65 27.336 14.473 15.144 1.00 0.00 C ATOM 947 CG LEU X 65 27.214 13.152 15.904 1.00 0.00 C ATOM 948 CD1 LEU X 65 27.014 13.437 17.392 1.00 0.00 C ATOM 949 CD2 LEU X 65 26.007 12.370 15.376 1.00 0.00 C ATOM 0 H LEU X 65 29.666 13.834 14.617 1.00 0.00 H new ATOM 0 HA LEU X 65 27.171 13.431 13.267 1.00 0.00 H new ATOM 0 HB2 LEU X 65 28.043 15.131 15.649 1.00 0.00 H new ATOM 0 HB3 LEU X 65 26.375 14.988 15.131 1.00 0.00 H new ATOM 0 HG LEU X 65 28.123 12.567 15.761 1.00 0.00 H new ATOM 0 HD11 LEU X 65 26.927 12.495 17.934 1.00 0.00 H new ATOM 0 HD12 LEU X 65 27.868 13.998 17.773 1.00 0.00 H new ATOM 0 HD13 LEU X 65 26.105 14.021 17.531 1.00 0.00 H new ATOM 0 HD21 LEU X 65 25.919 11.428 15.917 1.00 0.00 H new ATOM 0 HD22 LEU X 65 25.101 12.958 15.521 1.00 0.00 H new ATOM 0 HD23 LEU X 65 26.141 12.167 14.314 1.00 0.00 H new ATOM 961 N LYS X 66 26.565 15.628 12.206 1.00 0.00 N ATOM 962 CA LYS X 66 26.349 16.803 11.378 1.00 0.00 C ATOM 963 C LYS X 66 26.058 18.026 12.248 1.00 0.00 C ATOM 964 O LYS X 66 25.546 17.898 13.360 1.00 0.00 O ATOM 965 CB LYS X 66 25.179 16.565 10.422 1.00 0.00 C ATOM 966 CG LYS X 66 25.532 15.441 9.445 1.00 0.00 C ATOM 967 CD LYS X 66 26.611 15.921 8.470 1.00 0.00 C ATOM 968 CE LYS X 66 26.834 14.857 7.397 1.00 0.00 C ATOM 969 NZ LYS X 66 27.894 15.320 6.457 1.00 0.00 N ATOM 0 H LYS X 66 25.794 14.960 12.209 1.00 0.00 H new ATOM 0 HA LYS X 66 27.255 16.987 10.801 1.00 0.00 H new ATOM 0 HB2 LYS X 66 24.284 16.302 10.986 1.00 0.00 H new ATOM 0 HB3 LYS X 66 24.953 17.479 9.873 1.00 0.00 H new ATOM 0 HG2 LYS X 66 25.887 14.568 9.993 1.00 0.00 H new ATOM 0 HG3 LYS X 66 24.643 15.132 8.895 1.00 0.00 H new ATOM 0 HD2 LYS X 66 26.308 16.861 8.009 1.00 0.00 H new ATOM 0 HD3 LYS X 66 27.541 16.114 9.005 1.00 0.00 H new ATOM 0 HE2 LYS X 66 27.128 13.914 7.859 1.00 0.00 H new ATOM 0 HE3 LYS X 66 25.907 14.671 6.855 1.00 0.00 H new ATOM 0 HZ1 LYS X 66 28.048 14.598 5.725 1.00 0.00 H new ATOM 0 HZ2 LYS X 66 27.596 16.210 6.008 1.00 0.00 H new ATOM 0 HZ3 LYS X 66 28.779 15.476 6.981 1.00 0.00 H new ATOM 983 N PRO X 67 26.368 19.200 11.762 1.00 0.00 N ATOM 984 CA PRO X 67 26.135 20.472 12.507 1.00 0.00 C ATOM 985 C PRO X 67 24.653 20.820 12.611 1.00 0.00 C ATOM 986 O PRO X 67 23.834 20.337 11.828 1.00 0.00 O ATOM 987 CB PRO X 67 26.890 21.518 11.684 1.00 0.00 C ATOM 988 CG PRO X 67 26.947 20.965 10.302 1.00 0.00 C ATOM 989 CD PRO X 67 26.978 19.449 10.445 1.00 0.00 C ATOM 0 HA PRO X 67 26.478 20.409 13.540 1.00 0.00 H new ATOM 0 HB2 PRO X 67 26.376 22.479 11.702 1.00 0.00 H new ATOM 0 HB3 PRO X 67 27.891 21.685 12.083 1.00 0.00 H new ATOM 0 HG2 PRO X 67 26.081 21.282 9.721 1.00 0.00 H new ATOM 0 HG3 PRO X 67 27.832 21.323 9.777 1.00 0.00 H new ATOM 0 HD2 PRO X 67 26.417 18.962 9.647 1.00 0.00 H new ATOM 0 HD3 PRO X 67 27.997 19.065 10.399 1.00 0.00 H new ATOM 997 N ALA X 68 24.314 21.654 13.587 1.00 0.00 N ATOM 998 CA ALA X 68 22.929 22.056 13.789 1.00 0.00 C ATOM 999 C ALA X 68 22.397 22.783 12.558 1.00 0.00 C ATOM 1000 O ALA X 68 21.243 22.602 12.169 1.00 0.00 O ATOM 1001 CB ALA X 68 22.821 22.972 15.009 1.00 0.00 C ATOM 0 H ALA X 68 24.976 22.063 14.247 1.00 0.00 H new ATOM 0 HA ALA X 68 22.332 21.159 13.955 1.00 0.00 H new ATOM 0 HB1 ALA X 68 21.781 23.267 15.152 1.00 0.00 H new ATOM 0 HB2 ALA X 68 23.172 22.442 15.894 1.00 0.00 H new ATOM 0 HB3 ALA X 68 23.432 23.861 14.852 1.00 0.00 H new ATOM 1007 N LYS X 69 23.242 23.609 11.957 1.00 0.00 N ATOM 1008 CA LYS X 69 22.843 24.367 10.774 1.00 0.00 C ATOM 1009 C LYS X 69 22.424 23.425 9.649 1.00 0.00 C ATOM 1010 O LYS X 69 21.399 23.636 9.000 1.00 0.00 O ATOM 1011 CB LYS X 69 24.005 25.243 10.300 1.00 0.00 C ATOM 1012 CG LYS X 69 23.571 26.050 9.074 1.00 0.00 C ATOM 1013 CD LYS X 69 24.718 26.956 8.623 1.00 0.00 C ATOM 1014 CE LYS X 69 24.292 27.742 7.383 1.00 0.00 C ATOM 1015 NZ LYS X 69 25.405 28.636 6.955 1.00 0.00 N ATOM 0 H LYS X 69 24.201 23.772 12.264 1.00 0.00 H new ATOM 0 HA LYS X 69 21.995 24.998 11.039 1.00 0.00 H new ATOM 0 HB2 LYS X 69 24.317 25.916 11.099 1.00 0.00 H new ATOM 0 HB3 LYS X 69 24.866 24.621 10.053 1.00 0.00 H new ATOM 0 HG2 LYS X 69 23.286 25.377 8.265 1.00 0.00 H new ATOM 0 HG3 LYS X 69 22.693 26.650 9.313 1.00 0.00 H new ATOM 0 HD2 LYS X 69 24.990 27.642 9.425 1.00 0.00 H new ATOM 0 HD3 LYS X 69 25.602 26.358 8.401 1.00 0.00 H new ATOM 0 HE2 LYS X 69 24.031 27.057 6.577 1.00 0.00 H new ATOM 0 HE3 LYS X 69 23.401 28.331 7.601 1.00 0.00 H new ATOM 0 HZ1 LYS X 69 25.116 29.171 6.111 1.00 0.00 H new ATOM 0 HZ2 LYS X 69 25.633 29.298 7.724 1.00 0.00 H new ATOM 0 HZ3 LYS X 69 26.244 28.063 6.731 1.00 0.00 H new ATOM 1029 N SER X 70 23.219 22.385 9.425 1.00 0.00 N ATOM 1030 CA SER X 70 22.915 21.415 8.378 1.00 0.00 C ATOM 1031 C SER X 70 21.585 20.722 8.659 1.00 0.00 C ATOM 1032 O SER X 70 20.775 20.521 7.755 1.00 0.00 O ATOM 1033 CB SER X 70 24.029 20.374 8.290 1.00 0.00 C ATOM 1034 OG SER X 70 23.713 19.429 7.276 1.00 0.00 O ATOM 0 H SER X 70 24.072 22.192 9.949 1.00 0.00 H new ATOM 0 HA SER X 70 22.841 21.945 7.428 1.00 0.00 H new ATOM 0 HB2 SER X 70 24.979 20.860 8.067 1.00 0.00 H new ATOM 0 HB3 SER X 70 24.147 19.869 9.249 1.00 0.00 H new ATOM 0 HG SER X 70 24.428 18.761 7.217 1.00 0.00 H new ATOM 1040 N ALA X 71 21.371 20.353 9.918 1.00 0.00 N ATOM 1041 CA ALA X 71 20.137 19.679 10.307 1.00 0.00 C ATOM 1042 C ALA X 71 19.907 18.443 9.443 1.00 0.00 C ATOM 1043 CB ALA X 71 18.950 20.633 10.160 1.00 0.00 C ATOM 0 H ALA X 71 22.030 20.508 10.681 1.00 0.00 H new ATOM 0 HA ALA X 71 20.228 19.370 11.348 1.00 0.00 H new ATOM 0 HB1 ALA X 71 18.033 20.121 10.453 1.00 0.00 H new ATOM 0 HB2 ALA X 71 19.100 21.502 10.800 1.00 0.00 H new ATOM 0 HB3 ALA X 71 18.869 20.956 9.122 1.00 0.00 H new TER 1049 ALA X 71