USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=15 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 1 GLY N :NH3+ -165:sc= 1.41 (180deg=0.129) USER MOD Set 1.2: X 5 THR OG1 : rot -15:sc= 1.24 USER MOD Single : X 16 GLN : amide:sc= -0.036 K(o=-0.036,f=-1.5!) USER MOD Single : X 25 TYR OH : rot 180:sc= 0 USER MOD Single : X 27 ASN : amide:sc= -0.0137 X(o=-0.014,f=0) USER MOD Single : X 28 LYS NZ :NH3+ 160:sc= -0.0517 (180deg=-0.457) 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 180:sc= 0 USER MOD Single : X 35 SER OG : rot -170:sc= 0.389 USER MOD Single : X 36 SER OG : rot 180:sc= -0.597 USER MOD Single : X 41 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.33) USER MOD Single : X 42 THR OG1 : rot -91:sc= 0.155 USER MOD Single : X 52 SER OG : rot -102:sc= 1.25 USER MOD Single : X 60 MET CE :methyl -118:sc= -0.0778 (180deg=-0.633) 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+ -160:sc= -0.0211 (180deg=-0.491) USER MOD Single : X 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY X 1 38.403 -13.865 15.407 1.00 0.00 N ATOM 2 CA GLY X 1 37.481 -14.879 14.823 1.00 0.00 C ATOM 3 C GLY X 1 36.758 -15.616 15.943 1.00 0.00 C ATOM 4 O GLY X 1 37.075 -16.766 16.248 1.00 0.00 O ATOM 0 H1 GLY X 1 38.701 -13.199 14.666 1.00 0.00 H new ATOM 0 H2 GLY X 1 37.913 -13.345 16.163 1.00 0.00 H new ATOM 0 H3 GLY X 1 39.239 -14.342 15.800 1.00 0.00 H new ATOM 0 HA2 GLY X 1 36.758 -14.393 14.167 1.00 0.00 H new ATOM 0 HA3 GLY X 1 38.042 -15.586 14.211 1.00 0.00 H new ATOM 10 N GLY X 2 35.782 -14.951 16.550 1.00 0.00 N ATOM 11 CA GLY X 2 35.019 -15.555 17.633 1.00 0.00 C ATOM 12 C GLY X 2 34.002 -14.572 18.198 1.00 0.00 C ATOM 13 O GLY X 2 33.952 -13.413 17.791 1.00 0.00 O ATOM 0 H GLY X 2 35.502 -13.999 16.312 1.00 0.00 H new ATOM 0 HA2 GLY X 2 34.506 -16.445 17.269 1.00 0.00 H new ATOM 0 HA3 GLY X 2 35.696 -15.878 18.424 1.00 0.00 H new ATOM 17 N PRO X 3 33.203 -15.016 19.126 1.00 0.00 N ATOM 18 CA PRO X 3 32.159 -14.166 19.777 1.00 0.00 C ATOM 19 C PRO X 3 32.749 -12.955 20.484 1.00 0.00 C ATOM 20 O PRO X 3 32.059 -11.969 20.744 1.00 0.00 O ATOM 21 CB PRO X 3 31.476 -15.111 20.773 1.00 0.00 C ATOM 22 CG PRO X 3 31.810 -16.488 20.300 1.00 0.00 C ATOM 23 CD PRO X 3 33.190 -16.383 19.660 1.00 0.00 C ATOM 0 HA PRO X 3 31.468 -13.747 19.045 1.00 0.00 H new ATOM 0 HB2 PRO X 3 31.840 -14.944 21.787 1.00 0.00 H new ATOM 0 HB3 PRO X 3 30.398 -14.952 20.791 1.00 0.00 H new ATOM 0 HG2 PRO X 3 31.816 -17.196 21.129 1.00 0.00 H new ATOM 0 HG3 PRO X 3 31.072 -16.845 19.582 1.00 0.00 H new ATOM 0 HD2 PRO X 3 33.986 -16.539 20.388 1.00 0.00 H new ATOM 0 HD3 PRO X 3 33.328 -17.125 18.873 1.00 0.00 H new ATOM 31 N GLU X 4 34.026 -13.044 20.786 1.00 0.00 N ATOM 32 CA GLU X 4 34.727 -11.955 21.461 1.00 0.00 C ATOM 33 C GLU X 4 35.353 -10.995 20.452 1.00 0.00 C ATOM 34 O GLU X 4 35.991 -10.013 20.831 1.00 0.00 O ATOM 35 CB GLU X 4 35.817 -12.514 22.379 1.00 0.00 C ATOM 36 CG GLU X 4 35.184 -13.439 23.420 1.00 0.00 C ATOM 37 CD GLU X 4 34.273 -12.639 24.345 1.00 0.00 C ATOM 38 OE1 GLU X 4 34.448 -11.434 24.422 1.00 0.00 O ATOM 39 OE2 GLU X 4 33.412 -13.245 24.964 1.00 0.00 O ATOM 0 H GLU X 4 34.607 -13.856 20.578 1.00 0.00 H new ATOM 0 HA GLU X 4 33.997 -11.407 22.056 1.00 0.00 H new ATOM 0 HB2 GLU X 4 36.556 -13.061 21.793 1.00 0.00 H new ATOM 0 HB3 GLU X 4 36.344 -11.698 22.874 1.00 0.00 H new ATOM 0 HG2 GLU X 4 34.613 -14.223 22.922 1.00 0.00 H new ATOM 0 HG3 GLU X 4 35.963 -13.933 24.001 1.00 0.00 H new ATOM 46 N THR X 5 35.170 -11.283 19.167 1.00 0.00 N ATOM 47 CA THR X 5 35.720 -10.440 18.115 1.00 0.00 C ATOM 48 C THR X 5 34.645 -10.099 17.089 1.00 0.00 C ATOM 49 O THR X 5 33.632 -10.792 16.984 1.00 0.00 O ATOM 50 CB THR X 5 36.876 -11.164 17.423 1.00 0.00 C ATOM 51 OG1 THR X 5 36.394 -12.360 16.828 1.00 0.00 O ATOM 52 CG2 THR X 5 37.957 -11.502 18.451 1.00 0.00 C ATOM 0 H THR X 5 34.646 -12.092 18.831 1.00 0.00 H new ATOM 0 HA THR X 5 36.085 -9.516 18.564 1.00 0.00 H new ATOM 0 HB THR X 5 37.300 -10.520 16.653 1.00 0.00 H new ATOM 0 HG1 THR X 5 35.510 -12.574 17.193 1.00 0.00 H new ATOM 0 HG21 THR X 5 38.780 -12.018 17.957 1.00 0.00 H new ATOM 0 HG22 THR X 5 38.326 -10.583 18.907 1.00 0.00 H new ATOM 0 HG23 THR X 5 37.536 -12.146 19.223 1.00 0.00 H new ATOM 60 N LEU X 6 34.870 -9.029 16.335 1.00 0.00 N ATOM 61 CA LEU X 6 33.912 -8.612 15.319 1.00 0.00 C ATOM 62 C LEU X 6 34.506 -8.790 13.928 1.00 0.00 C ATOM 63 O LEU X 6 35.506 -8.160 13.585 1.00 0.00 O ATOM 64 CB LEU X 6 33.545 -7.142 15.533 1.00 0.00 C ATOM 65 CG LEU X 6 32.975 -6.955 16.940 1.00 0.00 C ATOM 66 CD1 LEU X 6 32.728 -5.465 17.200 1.00 0.00 C ATOM 67 CD2 LEU X 6 31.651 -7.718 17.058 1.00 0.00 C ATOM 0 H LEU X 6 35.699 -8.440 16.407 1.00 0.00 H new ATOM 0 HA LEU X 6 33.018 -9.230 15.404 1.00 0.00 H new ATOM 0 HB2 LEU X 6 34.426 -6.514 15.400 1.00 0.00 H new ATOM 0 HB3 LEU X 6 32.814 -6.827 14.789 1.00 0.00 H new ATOM 0 HG LEU X 6 33.685 -7.338 17.673 1.00 0.00 H new ATOM 0 HD11 LEU X 6 32.322 -5.333 18.203 1.00 0.00 H new ATOM 0 HD12 LEU X 6 33.668 -4.920 17.115 1.00 0.00 H new ATOM 0 HD13 LEU X 6 32.018 -5.081 16.468 1.00 0.00 H new ATOM 0 HD21 LEU X 6 31.243 -7.586 18.060 1.00 0.00 H new ATOM 0 HD22 LEU X 6 30.943 -7.333 16.324 1.00 0.00 H new ATOM 0 HD23 LEU X 6 31.824 -8.778 16.874 1.00 0.00 H new ATOM 79 N CYS X 7 33.884 -9.653 13.131 1.00 0.00 N ATOM 80 CA CYS X 7 34.364 -9.913 11.778 1.00 0.00 C ATOM 81 C CYS X 7 33.202 -10.294 10.860 1.00 0.00 C ATOM 82 O CYS X 7 32.199 -10.864 11.304 1.00 0.00 O ATOM 83 CB CYS X 7 35.388 -11.048 11.803 1.00 0.00 C ATOM 84 SG CYS X 7 36.448 -10.947 10.337 1.00 0.00 S ATOM 0 H CYS X 7 33.052 -10.181 13.396 1.00 0.00 H new ATOM 0 HA CYS X 7 34.831 -9.006 11.395 1.00 0.00 H new ATOM 0 HB2 CYS X 7 35.994 -10.984 12.707 1.00 0.00 H new ATOM 0 HB3 CYS X 7 34.878 -12.011 11.829 1.00 0.00 H new ATOM 89 N GLY X 8 33.345 -9.978 9.576 1.00 0.00 N ATOM 90 CA GLY X 8 32.309 -10.293 8.602 1.00 0.00 C ATOM 91 C GLY X 8 30.997 -9.597 8.948 1.00 0.00 C ATOM 92 O GLY X 8 30.963 -8.384 9.156 1.00 0.00 O ATOM 0 H GLY X 8 34.163 -9.507 9.189 1.00 0.00 H new ATOM 0 HA2 GLY X 8 32.635 -9.987 7.608 1.00 0.00 H new ATOM 0 HA3 GLY X 8 32.154 -11.371 8.568 1.00 0.00 H new ATOM 96 N ALA X 9 29.926 -10.378 9.005 1.00 0.00 N ATOM 97 CA ALA X 9 28.612 -9.836 9.325 1.00 0.00 C ATOM 98 C ALA X 9 28.617 -9.194 10.705 1.00 0.00 C ATOM 99 O ALA X 9 27.955 -8.183 10.928 1.00 0.00 O ATOM 100 CB ALA X 9 27.554 -10.940 9.282 1.00 0.00 C ATOM 0 H ALA X 9 29.941 -11.384 8.835 1.00 0.00 H new ATOM 0 HA ALA X 9 28.371 -9.077 8.581 1.00 0.00 H new ATOM 0 HB1 ALA X 9 26.578 -10.518 9.523 1.00 0.00 H new ATOM 0 HB2 ALA X 9 27.524 -11.376 8.284 1.00 0.00 H new ATOM 0 HB3 ALA X 9 27.805 -11.713 10.008 1.00 0.00 H new ATOM 106 N GLU X 10 29.361 -9.791 11.632 1.00 0.00 N ATOM 107 CA GLU X 10 29.424 -9.263 12.989 1.00 0.00 C ATOM 108 C GLU X 10 29.999 -7.852 12.988 1.00 0.00 C ATOM 109 O GLU X 10 29.517 -6.980 13.707 1.00 0.00 O ATOM 110 CB GLU X 10 30.298 -10.172 13.852 1.00 0.00 C ATOM 111 CG GLU X 10 29.573 -11.496 14.104 1.00 0.00 C ATOM 112 CD GLU X 10 30.510 -12.480 14.798 1.00 0.00 C ATOM 113 OE1 GLU X 10 31.700 -12.214 14.827 1.00 0.00 O ATOM 114 OE2 GLU X 10 30.022 -13.484 15.289 1.00 0.00 O ATOM 0 H GLU X 10 29.921 -10.628 11.471 1.00 0.00 H new ATOM 0 HA GLU X 10 28.414 -9.228 13.398 1.00 0.00 H new ATOM 0 HB2 GLU X 10 31.250 -10.357 13.354 1.00 0.00 H new ATOM 0 HB3 GLU X 10 30.523 -9.683 14.800 1.00 0.00 H new ATOM 0 HG2 GLU X 10 28.690 -11.325 14.720 1.00 0.00 H new ATOM 0 HG3 GLU X 10 29.226 -11.916 13.160 1.00 0.00 H new ATOM 121 N LEU X 11 31.027 -7.632 12.174 1.00 0.00 N ATOM 122 CA LEU X 11 31.646 -6.315 12.095 1.00 0.00 C ATOM 123 C LEU X 11 30.648 -5.280 11.590 1.00 0.00 C ATOM 124 O LEU X 11 30.494 -4.214 12.182 1.00 0.00 O ATOM 125 CB LEU X 11 32.853 -6.363 11.152 1.00 0.00 C ATOM 126 CG LEU X 11 33.462 -4.965 11.010 1.00 0.00 C ATOM 127 CD1 LEU X 11 33.944 -4.471 12.374 1.00 0.00 C ATOM 128 CD2 LEU X 11 34.644 -5.021 10.042 1.00 0.00 C ATOM 0 H LEU X 11 31.444 -8.338 11.568 1.00 0.00 H new ATOM 0 HA LEU X 11 31.973 -6.028 13.095 1.00 0.00 H new ATOM 0 HB2 LEU X 11 33.600 -7.056 11.539 1.00 0.00 H new ATOM 0 HB3 LEU X 11 32.547 -6.736 10.175 1.00 0.00 H new ATOM 0 HG LEU X 11 32.706 -4.280 10.625 1.00 0.00 H new ATOM 0 HD11 LEU X 11 34.377 -3.476 12.269 1.00 0.00 H new ATOM 0 HD12 LEU X 11 33.101 -4.429 13.064 1.00 0.00 H new ATOM 0 HD13 LEU X 11 34.698 -5.155 12.763 1.00 0.00 H new ATOM 0 HD21 LEU X 11 35.078 -4.026 9.940 1.00 0.00 H new ATOM 0 HD22 LEU X 11 35.397 -5.708 10.427 1.00 0.00 H new ATOM 0 HD23 LEU X 11 34.300 -5.368 9.068 1.00 0.00 H new ATOM 140 N VAL X 12 29.970 -5.605 10.494 1.00 0.00 N ATOM 141 CA VAL X 12 28.990 -4.692 9.923 1.00 0.00 C ATOM 142 C VAL X 12 27.852 -4.425 10.901 1.00 0.00 C ATOM 143 O VAL X 12 27.437 -3.282 11.092 1.00 0.00 O ATOM 144 CB VAL X 12 28.430 -5.277 8.624 1.00 0.00 C ATOM 145 CG1 VAL X 12 27.168 -4.510 8.217 1.00 0.00 C ATOM 146 CG2 VAL X 12 29.480 -5.126 7.516 1.00 0.00 C ATOM 0 H VAL X 12 30.080 -6.484 9.989 1.00 0.00 H new ATOM 0 HA VAL X 12 29.489 -3.746 9.713 1.00 0.00 H new ATOM 0 HB VAL X 12 28.187 -6.329 8.773 1.00 0.00 H new ATOM 0 HG11 VAL X 12 26.771 -4.928 7.292 1.00 0.00 H new ATOM 0 HG12 VAL X 12 26.420 -4.596 9.005 1.00 0.00 H new ATOM 0 HG13 VAL X 12 27.414 -3.459 8.064 1.00 0.00 H new ATOM 0 HG21 VAL X 12 29.090 -5.540 6.586 1.00 0.00 H new ATOM 0 HG22 VAL X 12 29.710 -4.070 7.374 1.00 0.00 H new ATOM 0 HG23 VAL X 12 30.387 -5.660 7.799 1.00 0.00 H new ATOM 156 N ASP X 13 27.352 -5.494 11.510 1.00 0.00 N ATOM 157 CA ASP X 13 26.259 -5.372 12.463 1.00 0.00 C ATOM 158 C ASP X 13 26.673 -4.515 13.653 1.00 0.00 C ATOM 159 O ASP X 13 25.911 -3.665 14.112 1.00 0.00 O ATOM 160 CB ASP X 13 25.843 -6.762 12.954 1.00 0.00 C ATOM 161 CG ASP X 13 25.110 -7.512 11.848 1.00 0.00 C ATOM 162 OD1 ASP X 13 24.755 -6.883 10.866 1.00 0.00 O ATOM 163 OD2 ASP X 13 24.910 -8.706 12.003 1.00 0.00 O ATOM 0 H ASP X 13 27.684 -6.447 11.362 1.00 0.00 H new ATOM 0 HA ASP X 13 25.418 -4.892 11.963 1.00 0.00 H new ATOM 0 HB2 ASP X 13 26.723 -7.325 13.264 1.00 0.00 H new ATOM 0 HB3 ASP X 13 25.200 -6.669 13.829 1.00 0.00 H new ATOM 168 N ALA X 14 27.888 -4.738 14.145 1.00 0.00 N ATOM 169 CA ALA X 14 28.390 -3.976 15.279 1.00 0.00 C ATOM 170 C ALA X 14 28.502 -2.497 14.930 1.00 0.00 C ATOM 171 O ALA X 14 28.166 -1.633 15.740 1.00 0.00 O ATOM 172 CB ALA X 14 29.757 -4.507 15.701 1.00 0.00 C ATOM 0 H ALA X 14 28.537 -5.434 13.779 1.00 0.00 H new ATOM 0 HA ALA X 14 27.686 -4.088 16.104 1.00 0.00 H new ATOM 0 HB1 ALA X 14 30.125 -3.931 16.550 1.00 0.00 H new ATOM 0 HB2 ALA X 14 29.668 -5.556 15.985 1.00 0.00 H new ATOM 0 HB3 ALA X 14 30.456 -4.414 14.870 1.00 0.00 H new ATOM 178 N LEU X 15 28.976 -2.212 13.720 1.00 0.00 N ATOM 179 CA LEU X 15 29.130 -0.832 13.278 1.00 0.00 C ATOM 180 C LEU X 15 27.779 -0.130 13.249 1.00 0.00 C ATOM 181 O LEU X 15 27.657 1.014 13.682 1.00 0.00 O ATOM 182 CB LEU X 15 29.753 -0.806 11.881 1.00 0.00 C ATOM 183 CG LEU X 15 31.222 -1.225 11.961 1.00 0.00 C ATOM 184 CD1 LEU X 15 31.746 -1.525 10.555 1.00 0.00 C ATOM 185 CD2 LEU X 15 32.040 -0.080 12.569 1.00 0.00 C ATOM 0 H LEU X 15 29.258 -2.913 13.034 1.00 0.00 H new ATOM 0 HA LEU X 15 29.782 -0.310 13.978 1.00 0.00 H new ATOM 0 HB2 LEU X 15 29.209 -1.479 11.218 1.00 0.00 H new ATOM 0 HB3 LEU X 15 29.673 0.194 11.456 1.00 0.00 H new ATOM 0 HG LEU X 15 31.313 -2.116 12.582 1.00 0.00 H new ATOM 0 HD11 LEU X 15 32.793 -1.823 10.613 1.00 0.00 H new ATOM 0 HD12 LEU X 15 31.162 -2.333 10.114 1.00 0.00 H new ATOM 0 HD13 LEU X 15 31.657 -0.633 9.935 1.00 0.00 H new ATOM 0 HD21 LEU X 15 33.088 -0.373 12.628 1.00 0.00 H new ATOM 0 HD22 LEU X 15 31.946 0.807 11.942 1.00 0.00 H new ATOM 0 HD23 LEU X 15 31.668 0.142 13.569 1.00 0.00 H new ATOM 197 N GLN X 16 26.764 -0.826 12.744 1.00 0.00 N ATOM 198 CA GLN X 16 25.425 -0.256 12.677 1.00 0.00 C ATOM 199 C GLN X 16 24.866 -0.047 14.080 1.00 0.00 C ATOM 200 O GLN X 16 24.220 0.955 14.363 1.00 0.00 O ATOM 201 CB GLN X 16 24.501 -1.183 11.886 1.00 0.00 C ATOM 202 CG GLN X 16 24.902 -1.160 10.410 1.00 0.00 C ATOM 203 CD GLN X 16 24.131 -2.232 9.647 1.00 0.00 C ATOM 204 OE1 GLN X 16 23.756 -3.253 10.220 1.00 0.00 O ATOM 205 NE2 GLN X 16 23.873 -2.058 8.379 1.00 0.00 N ATOM 0 H GLN X 16 26.843 -1.775 12.379 1.00 0.00 H new ATOM 0 HA GLN X 16 25.483 0.709 12.173 1.00 0.00 H new ATOM 0 HB2 GLN X 16 24.566 -2.199 12.276 1.00 0.00 H new ATOM 0 HB3 GLN X 16 23.465 -0.864 11.998 1.00 0.00 H new ATOM 0 HG2 GLN X 16 24.696 -0.178 9.983 1.00 0.00 H new ATOM 0 HG3 GLN X 16 25.974 -1.332 10.312 1.00 0.00 H new ATOM 0 HE21 GLN X 16 24.186 -1.210 7.907 1.00 0.00 H new ATOM 0 HE22 GLN X 16 23.359 -2.770 7.861 1.00 0.00 H new ATOM 214 N PHE X 17 25.123 -1.005 14.960 1.00 0.00 N ATOM 215 CA PHE X 17 24.644 -0.909 16.334 1.00 0.00 C ATOM 216 C PHE X 17 25.207 0.325 17.031 1.00 0.00 C ATOM 217 O PHE X 17 24.474 1.083 17.662 1.00 0.00 O ATOM 218 CB PHE X 17 25.054 -2.158 17.113 1.00 0.00 C ATOM 219 CG PHE X 17 24.794 -1.944 18.587 1.00 0.00 C ATOM 220 CD1 PHE X 17 23.510 -2.130 19.114 1.00 0.00 C ATOM 221 CD2 PHE X 17 25.846 -1.551 19.427 1.00 0.00 C ATOM 222 CE1 PHE X 17 23.278 -1.927 20.482 1.00 0.00 C ATOM 223 CE2 PHE X 17 25.614 -1.349 20.793 1.00 0.00 C ATOM 224 CZ PHE X 17 24.330 -1.537 21.320 1.00 0.00 C ATOM 0 H PHE X 17 25.655 -1.850 14.751 1.00 0.00 H new ATOM 0 HA PHE X 17 23.558 -0.826 16.306 1.00 0.00 H new ATOM 0 HB2 PHE X 17 24.493 -3.022 16.756 1.00 0.00 H new ATOM 0 HB3 PHE X 17 26.110 -2.372 16.947 1.00 0.00 H new ATOM 0 HD1 PHE X 17 22.699 -2.430 18.467 1.00 0.00 H new ATOM 0 HD2 PHE X 17 26.836 -1.404 19.020 1.00 0.00 H new ATOM 0 HE1 PHE X 17 22.288 -2.071 20.889 1.00 0.00 H new ATOM 0 HE2 PHE X 17 26.425 -1.048 21.440 1.00 0.00 H new ATOM 0 HZ PHE X 17 24.151 -1.381 22.374 1.00 0.00 H new ATOM 234 N VAL X 18 26.518 0.507 16.924 1.00 0.00 N ATOM 235 CA VAL X 18 27.174 1.639 17.566 1.00 0.00 C ATOM 236 C VAL X 18 26.796 2.949 16.880 1.00 0.00 C ATOM 237 O VAL X 18 26.444 3.925 17.540 1.00 0.00 O ATOM 238 CB VAL X 18 28.692 1.455 17.510 1.00 0.00 C ATOM 239 CG1 VAL X 18 29.376 2.668 18.138 1.00 0.00 C ATOM 240 CG2 VAL X 18 29.086 0.193 18.280 1.00 0.00 C ATOM 0 H VAL X 18 27.143 -0.109 16.404 1.00 0.00 H new ATOM 0 HA VAL X 18 26.844 1.682 18.604 1.00 0.00 H new ATOM 0 HB VAL X 18 29.005 1.357 16.471 1.00 0.00 H new ATOM 0 HG11 VAL X 18 30.457 2.537 18.098 1.00 0.00 H new ATOM 0 HG12 VAL X 18 29.099 3.567 17.588 1.00 0.00 H new ATOM 0 HG13 VAL X 18 29.060 2.766 19.177 1.00 0.00 H new ATOM 0 HG21 VAL X 18 30.168 0.064 18.239 1.00 0.00 H new ATOM 0 HG22 VAL X 18 28.771 0.288 19.319 1.00 0.00 H new ATOM 0 HG23 VAL X 18 28.600 -0.673 17.831 1.00 0.00 H new ATOM 250 N CYS X 19 26.874 2.959 15.554 1.00 0.00 N ATOM 251 CA CYS X 19 26.541 4.156 14.789 1.00 0.00 C ATOM 252 C CYS X 19 25.537 3.832 13.689 1.00 0.00 C ATOM 253 O CYS X 19 25.879 3.818 12.507 1.00 0.00 O ATOM 254 CB CYS X 19 27.808 4.749 14.167 1.00 0.00 C ATOM 255 SG CYS X 19 28.970 5.206 15.479 1.00 0.00 S ATOM 0 H CYS X 19 27.162 2.160 14.990 1.00 0.00 H new ATOM 0 HA CYS X 19 26.094 4.882 15.468 1.00 0.00 H new ATOM 0 HB2 CYS X 19 28.269 4.025 13.495 1.00 0.00 H new ATOM 0 HB3 CYS X 19 27.556 5.625 13.569 1.00 0.00 H new ATOM 260 N GLY X 20 24.295 3.574 14.085 1.00 0.00 N ATOM 261 CA GLY X 20 23.249 3.254 13.118 1.00 0.00 C ATOM 262 C GLY X 20 22.839 4.489 12.324 1.00 0.00 C ATOM 263 O GLY X 20 23.162 4.613 11.142 1.00 0.00 O ATOM 0 H GLY X 20 23.989 3.580 15.058 1.00 0.00 H new ATOM 0 HA2 GLY X 20 23.604 2.481 12.436 1.00 0.00 H new ATOM 0 HA3 GLY X 20 22.381 2.847 13.637 1.00 0.00 H new ATOM 267 N ASP X 21 22.128 5.399 12.980 1.00 0.00 N ATOM 268 CA ASP X 21 21.682 6.621 12.325 1.00 0.00 C ATOM 269 C ASP X 21 22.875 7.465 11.890 1.00 0.00 C ATOM 270 O ASP X 21 22.874 8.046 10.806 1.00 0.00 O ATOM 271 CB ASP X 21 20.800 7.431 13.275 1.00 0.00 C ATOM 272 CG ASP X 21 19.452 6.741 13.451 1.00 0.00 C ATOM 273 OD1 ASP X 21 19.159 5.849 12.671 1.00 0.00 O ATOM 274 OD2 ASP X 21 18.731 7.113 14.363 1.00 0.00 O ATOM 0 H ASP X 21 21.850 5.314 13.958 1.00 0.00 H new ATOM 0 HA ASP X 21 21.107 6.346 11.441 1.00 0.00 H new ATOM 0 HB2 ASP X 21 21.293 7.536 14.241 1.00 0.00 H new ATOM 0 HB3 ASP X 21 20.654 8.437 12.881 1.00 0.00 H new ATOM 279 N ARG X 22 23.892 7.528 12.745 1.00 0.00 N ATOM 280 CA ARG X 22 25.086 8.305 12.439 1.00 0.00 C ATOM 281 C ARG X 22 25.801 7.735 11.218 1.00 0.00 C ATOM 282 O ARG X 22 26.291 8.481 10.371 1.00 0.00 O ATOM 283 CB ARG X 22 26.037 8.299 13.637 1.00 0.00 C ATOM 284 CG ARG X 22 25.440 9.142 14.763 1.00 0.00 C ATOM 285 CD ARG X 22 26.487 9.339 15.862 1.00 0.00 C ATOM 286 NE ARG X 22 26.747 8.072 16.535 1.00 0.00 N ATOM 287 CZ ARG X 22 25.966 7.637 17.527 1.00 0.00 C ATOM 288 NH1 ARG X 22 24.926 8.333 17.920 1.00 0.00 N ATOM 289 NH2 ARG X 22 26.234 6.501 18.110 1.00 0.00 N ATOM 0 H ARG X 22 23.913 7.054 13.648 1.00 0.00 H new ATOM 0 HA ARG X 22 24.781 9.329 12.222 1.00 0.00 H new ATOM 0 HB2 ARG X 22 26.201 7.277 13.980 1.00 0.00 H new ATOM 0 HB3 ARG X 22 27.009 8.697 13.346 1.00 0.00 H new ATOM 0 HG2 ARG X 22 25.117 10.108 14.376 1.00 0.00 H new ATOM 0 HG3 ARG X 22 24.557 8.650 15.171 1.00 0.00 H new ATOM 0 HD2 ARG X 22 27.410 9.728 15.431 1.00 0.00 H new ATOM 0 HD3 ARG X 22 26.136 10.078 16.582 1.00 0.00 H new ATOM 0 HE ARG X 22 27.543 7.505 16.242 1.00 0.00 H new ATOM 0 HH11 ARG X 22 24.705 9.219 17.466 1.00 0.00 H new ATOM 0 HH12 ARG X 22 24.339 7.988 18.679 1.00 0.00 H new ATOM 0 HH21 ARG X 22 27.037 5.950 17.808 1.00 0.00 H new ATOM 0 HH22 ARG X 22 25.641 6.164 18.868 1.00 0.00 H new ATOM 303 N GLY X 23 25.856 6.411 11.137 1.00 0.00 N ATOM 304 CA GLY X 23 26.516 5.750 10.017 1.00 0.00 C ATOM 305 C GLY X 23 28.014 5.619 10.270 1.00 0.00 C ATOM 306 O GLY X 23 28.535 6.128 11.262 1.00 0.00 O ATOM 0 H GLY X 23 25.455 5.777 11.828 1.00 0.00 H new ATOM 0 HA2 GLY X 23 26.081 4.762 9.865 1.00 0.00 H new ATOM 0 HA3 GLY X 23 26.346 6.318 9.102 1.00 0.00 H new ATOM 310 N PHE X 24 28.703 4.934 9.363 1.00 0.00 N ATOM 311 CA PHE X 24 30.144 4.742 9.494 1.00 0.00 C ATOM 312 C PHE X 24 30.785 4.524 8.130 1.00 0.00 C ATOM 313 O PHE X 24 30.111 4.159 7.167 1.00 0.00 O ATOM 314 CB PHE X 24 30.423 3.541 10.399 1.00 0.00 C ATOM 315 CG PHE X 24 29.804 2.302 9.802 1.00 0.00 C ATOM 316 CD1 PHE X 24 30.571 1.454 8.994 1.00 0.00 C ATOM 317 CD2 PHE X 24 28.460 2.007 10.051 1.00 0.00 C ATOM 318 CE1 PHE X 24 29.991 0.309 8.439 1.00 0.00 C ATOM 319 CE2 PHE X 24 27.881 0.863 9.495 1.00 0.00 C ATOM 320 CZ PHE X 24 28.645 0.013 8.690 1.00 0.00 C ATOM 0 H PHE X 24 28.291 4.505 8.534 1.00 0.00 H new ATOM 0 HA PHE X 24 30.576 5.639 9.937 1.00 0.00 H new ATOM 0 HB2 PHE X 24 31.498 3.403 10.515 1.00 0.00 H new ATOM 0 HB3 PHE X 24 30.015 3.720 11.394 1.00 0.00 H new ATOM 0 HD1 PHE X 24 31.608 1.684 8.800 1.00 0.00 H new ATOM 0 HD2 PHE X 24 27.869 2.663 10.673 1.00 0.00 H new ATOM 0 HE1 PHE X 24 30.581 -0.347 7.817 1.00 0.00 H new ATOM 0 HE2 PHE X 24 26.843 0.636 9.687 1.00 0.00 H new ATOM 0 HZ PHE X 24 28.198 -0.872 8.262 1.00 0.00 H new ATOM 330 N TYR X 25 32.092 4.748 8.054 1.00 0.00 N ATOM 331 CA TYR X 25 32.814 4.571 6.799 1.00 0.00 C ATOM 332 C TYR X 25 34.266 4.189 7.068 1.00 0.00 C ATOM 333 O TYR X 25 34.775 4.376 8.174 1.00 0.00 O ATOM 334 CB TYR X 25 32.771 5.864 5.981 1.00 0.00 C ATOM 335 CG TYR X 25 33.577 6.932 6.680 1.00 0.00 C ATOM 336 CD1 TYR X 25 34.929 7.107 6.363 1.00 0.00 C ATOM 337 CD2 TYR X 25 32.975 7.745 7.646 1.00 0.00 C ATOM 338 CE1 TYR X 25 35.678 8.096 7.011 1.00 0.00 C ATOM 339 CE2 TYR X 25 33.724 8.734 8.295 1.00 0.00 C ATOM 340 CZ TYR X 25 35.076 8.908 7.977 1.00 0.00 C ATOM 341 OH TYR X 25 35.814 9.884 8.615 1.00 0.00 O ATOM 0 H TYR X 25 32.669 5.050 8.839 1.00 0.00 H new ATOM 0 HA TYR X 25 32.334 3.770 6.237 1.00 0.00 H new ATOM 0 HB2 TYR X 25 33.170 5.688 4.982 1.00 0.00 H new ATOM 0 HB3 TYR X 25 31.740 6.194 5.858 1.00 0.00 H new ATOM 0 HD1 TYR X 25 35.394 6.479 5.618 1.00 0.00 H new ATOM 0 HD2 TYR X 25 31.932 7.610 7.891 1.00 0.00 H new ATOM 0 HE1 TYR X 25 36.721 8.232 6.765 1.00 0.00 H new ATOM 0 HE2 TYR X 25 33.259 9.362 9.040 1.00 0.00 H new ATOM 0 HH TYR X 25 35.244 10.358 9.256 1.00 0.00 H new ATOM 351 N PHE X 26 34.928 3.653 6.048 1.00 0.00 N ATOM 352 CA PHE X 26 36.324 3.249 6.177 1.00 0.00 C ATOM 353 C PHE X 26 37.170 3.863 5.068 1.00 0.00 C ATOM 354 O PHE X 26 36.698 4.055 3.946 1.00 0.00 O ATOM 355 CB PHE X 26 36.436 1.724 6.126 1.00 0.00 C ATOM 356 CG PHE X 26 35.730 1.124 7.317 1.00 0.00 C ATOM 357 CD1 PHE X 26 34.388 0.738 7.219 1.00 0.00 C ATOM 358 CD2 PHE X 26 36.421 0.953 8.522 1.00 0.00 C ATOM 359 CE1 PHE X 26 33.738 0.182 8.327 1.00 0.00 C ATOM 360 CE2 PHE X 26 35.772 0.396 9.629 1.00 0.00 C ATOM 361 CZ PHE X 26 34.432 0.011 9.532 1.00 0.00 C ATOM 0 H PHE X 26 34.523 3.489 5.126 1.00 0.00 H new ATOM 0 HA PHE X 26 36.695 3.607 7.137 1.00 0.00 H new ATOM 0 HB2 PHE X 26 35.996 1.348 5.202 1.00 0.00 H new ATOM 0 HB3 PHE X 26 37.485 1.426 6.124 1.00 0.00 H new ATOM 0 HD1 PHE X 26 33.855 0.869 6.289 1.00 0.00 H new ATOM 0 HD2 PHE X 26 37.456 1.251 8.597 1.00 0.00 H new ATOM 0 HE1 PHE X 26 32.702 -0.115 8.253 1.00 0.00 H new ATOM 0 HE2 PHE X 26 36.306 0.264 10.558 1.00 0.00 H new ATOM 0 HZ PHE X 26 33.931 -0.419 10.387 1.00 0.00 H new ATOM 371 N ASN X 27 38.423 4.171 5.390 1.00 0.00 N ATOM 372 CA ASN X 27 39.331 4.765 4.415 1.00 0.00 C ATOM 373 C ASN X 27 40.016 3.681 3.593 1.00 0.00 C ATOM 374 O ASN X 27 40.066 2.520 3.997 1.00 0.00 O ATOM 375 CB ASN X 27 40.385 5.614 5.125 1.00 0.00 C ATOM 376 CG ASN X 27 39.708 6.708 5.942 1.00 0.00 C ATOM 377 OD1 ASN X 27 39.891 6.777 7.158 1.00 0.00 O ATOM 378 ND2 ASN X 27 38.929 7.569 5.347 1.00 0.00 N ATOM 0 H ASN X 27 38.831 4.020 6.313 1.00 0.00 H new ATOM 0 HA ASN X 27 38.749 5.400 3.747 1.00 0.00 H new ATOM 0 HB2 ASN X 27 40.992 4.985 5.776 1.00 0.00 H new ATOM 0 HB3 ASN X 27 41.059 6.059 4.393 1.00 0.00 H new ATOM 0 HD21 ASN X 27 38.470 8.301 5.889 1.00 0.00 H new ATOM 0 HD22 ASN X 27 38.779 7.510 4.340 1.00 0.00 H new ATOM 385 N LYS X 28 40.534 4.065 2.429 1.00 0.00 N ATOM 386 CA LYS X 28 41.196 3.109 1.554 1.00 0.00 C ATOM 387 C LYS X 28 42.426 2.516 2.245 1.00 0.00 C ATOM 388 O LYS X 28 43.017 3.145 3.122 1.00 0.00 O ATOM 389 CB LYS X 28 41.632 3.803 0.264 1.00 0.00 C ATOM 390 CG LYS X 28 40.403 4.357 -0.450 1.00 0.00 C ATOM 391 CD LYS X 28 40.835 5.058 -1.738 1.00 0.00 C ATOM 392 CE LYS X 28 39.609 5.657 -2.424 1.00 0.00 C ATOM 393 NZ LYS X 28 39.063 6.763 -1.589 1.00 0.00 N ATOM 0 H LYS X 28 40.508 5.021 2.075 1.00 0.00 H new ATOM 0 HA LYS X 28 40.494 2.308 1.323 1.00 0.00 H new ATOM 0 HB2 LYS X 28 42.330 4.609 0.489 1.00 0.00 H new ATOM 0 HB3 LYS X 28 42.156 3.099 -0.382 1.00 0.00 H new ATOM 0 HG2 LYS X 28 39.707 3.550 -0.678 1.00 0.00 H new ATOM 0 HG3 LYS X 28 39.877 5.057 0.199 1.00 0.00 H new ATOM 0 HD2 LYS X 28 41.559 5.841 -1.514 1.00 0.00 H new ATOM 0 HD3 LYS X 28 41.328 4.349 -2.403 1.00 0.00 H new ATOM 0 HE2 LYS X 28 39.878 6.032 -3.412 1.00 0.00 H new ATOM 0 HE3 LYS X 28 38.850 4.889 -2.571 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 38.468 7.381 -2.177 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 38.492 6.365 -0.816 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 39.848 7.317 -1.190 1.00 0.00 H new ATOM 407 N PRO X 29 42.816 1.321 1.870 1.00 0.00 N ATOM 408 CA PRO X 29 43.995 0.632 2.468 1.00 0.00 C ATOM 409 C PRO X 29 45.317 1.216 1.977 1.00 0.00 C ATOM 410 O PRO X 29 46.122 0.527 1.348 1.00 0.00 O ATOM 411 CB PRO X 29 43.827 -0.820 2.016 1.00 0.00 C ATOM 412 CG PRO X 29 43.041 -0.752 0.749 1.00 0.00 C ATOM 413 CD PRO X 29 42.173 0.498 0.834 1.00 0.00 C ATOM 0 HA PRO X 29 44.032 0.743 3.552 1.00 0.00 H new ATOM 0 HB2 PRO X 29 44.794 -1.295 1.853 1.00 0.00 H new ATOM 0 HB3 PRO X 29 43.306 -1.409 2.771 1.00 0.00 H new ATOM 0 HG2 PRO X 29 43.704 -0.704 -0.115 1.00 0.00 H new ATOM 0 HG3 PRO X 29 42.425 -1.643 0.628 1.00 0.00 H new ATOM 0 HD2 PRO X 29 42.135 1.021 -0.122 1.00 0.00 H new ATOM 0 HD3 PRO X 29 41.146 0.251 1.103 1.00 0.00 H new ATOM 421 N THR X 30 45.538 2.490 2.275 1.00 0.00 N ATOM 422 CA THR X 30 46.766 3.154 1.870 1.00 0.00 C ATOM 423 C THR X 30 47.760 3.205 3.031 1.00 0.00 C ATOM 424 O THR X 30 48.922 3.557 2.840 1.00 0.00 O ATOM 425 CB THR X 30 46.460 4.575 1.390 1.00 0.00 C ATOM 426 OG1 THR X 30 45.864 5.312 2.447 1.00 0.00 O ATOM 427 CG2 THR X 30 45.503 4.519 0.199 1.00 0.00 C ATOM 0 H THR X 30 44.886 3.080 2.793 1.00 0.00 H new ATOM 0 HA THR X 30 47.211 2.585 1.054 1.00 0.00 H new ATOM 0 HB THR X 30 47.386 5.063 1.085 1.00 0.00 H new ATOM 0 HG1 THR X 30 45.669 6.223 2.142 1.00 0.00 H new ATOM 0 HG21 THR X 30 45.286 5.532 -0.141 1.00 0.00 H new ATOM 0 HG22 THR X 30 45.964 3.954 -0.612 1.00 0.00 H new ATOM 0 HG23 THR X 30 44.576 4.031 0.500 1.00 0.00 H new ATOM 435 N GLY X 31 47.303 2.854 4.237 1.00 0.00 N ATOM 436 CA GLY X 31 48.171 2.872 5.400 1.00 0.00 C ATOM 437 C GLY X 31 47.411 2.402 6.627 1.00 0.00 C ATOM 438 O GLY X 31 46.275 1.938 6.521 1.00 0.00 O ATOM 0 H GLY X 31 46.345 2.558 4.424 1.00 0.00 H new ATOM 0 HA2 GLY X 31 49.034 2.229 5.229 1.00 0.00 H new ATOM 0 HA3 GLY X 31 48.552 3.880 5.563 1.00 0.00 H new ATOM 442 N TYR X 32 48.039 2.522 7.789 1.00 0.00 N ATOM 443 CA TYR X 32 47.403 2.101 9.027 1.00 0.00 C ATOM 444 C TYR X 32 47.340 3.260 10.018 1.00 0.00 C ATOM 445 O TYR X 32 48.348 3.911 10.291 1.00 0.00 O ATOM 446 CB TYR X 32 48.184 0.939 9.648 1.00 0.00 C ATOM 447 CG TYR X 32 47.580 0.576 10.986 1.00 0.00 C ATOM 448 CD1 TYR X 32 46.395 -0.163 11.041 1.00 0.00 C ATOM 449 CD2 TYR X 32 48.209 0.980 12.171 1.00 0.00 C ATOM 450 CE1 TYR X 32 45.835 -0.501 12.279 1.00 0.00 C ATOM 451 CE2 TYR X 32 47.650 0.641 13.411 1.00 0.00 C ATOM 452 CZ TYR X 32 46.463 -0.098 13.464 1.00 0.00 C ATOM 453 OH TYR X 32 45.911 -0.432 14.686 1.00 0.00 O ATOM 0 H TYR X 32 48.979 2.903 7.899 1.00 0.00 H new ATOM 0 HA TYR X 32 46.388 1.776 8.799 1.00 0.00 H new ATOM 0 HB2 TYR X 32 48.162 0.076 8.982 1.00 0.00 H new ATOM 0 HB3 TYR X 32 49.230 1.218 9.774 1.00 0.00 H new ATOM 0 HD1 TYR X 32 45.911 -0.474 10.127 1.00 0.00 H new ATOM 0 HD2 TYR X 32 49.124 1.552 12.129 1.00 0.00 H new ATOM 0 HE1 TYR X 32 44.919 -1.072 12.320 1.00 0.00 H new ATOM 0 HE2 TYR X 32 48.135 0.950 14.325 1.00 0.00 H new ATOM 0 HH TYR X 32 46.472 -0.076 15.407 1.00 0.00 H new ATOM 463 N GLY X 33 46.153 3.514 10.558 1.00 0.00 N ATOM 464 CA GLY X 33 45.984 4.598 11.520 1.00 0.00 C ATOM 465 C GLY X 33 46.356 5.939 10.899 1.00 0.00 C ATOM 466 O GLY X 33 45.857 6.301 9.833 1.00 0.00 O ATOM 0 H GLY X 33 45.302 2.991 10.350 1.00 0.00 H new ATOM 0 HA2 GLY X 33 44.950 4.626 11.864 1.00 0.00 H new ATOM 0 HA3 GLY X 33 46.606 4.413 12.396 1.00 0.00 H new ATOM 470 N SER X 34 47.235 6.673 11.572 1.00 0.00 N ATOM 471 CA SER X 34 47.671 7.974 11.078 1.00 0.00 C ATOM 472 C SER X 34 49.069 7.879 10.472 1.00 0.00 C ATOM 473 O SER X 34 49.712 8.897 10.212 1.00 0.00 O ATOM 474 CB SER X 34 47.670 8.996 12.216 1.00 0.00 C ATOM 475 OG SER X 34 48.605 8.595 13.207 1.00 0.00 O ATOM 0 H SER X 34 47.658 6.391 12.456 1.00 0.00 H new ATOM 0 HA SER X 34 46.975 8.297 10.304 1.00 0.00 H new ATOM 0 HB2 SER X 34 47.929 9.983 11.834 1.00 0.00 H new ATOM 0 HB3 SER X 34 46.673 9.073 12.650 1.00 0.00 H new ATOM 0 HG SER X 34 48.608 9.249 13.937 1.00 0.00 H new ATOM 481 N SER X 35 49.539 6.652 10.253 1.00 0.00 N ATOM 482 CA SER X 35 50.857 6.441 9.683 1.00 0.00 C ATOM 483 C SER X 35 50.786 5.442 8.533 1.00 0.00 C ATOM 484 O SER X 35 50.491 4.264 8.734 1.00 0.00 O ATOM 485 CB SER X 35 51.799 5.917 10.765 1.00 0.00 C ATOM 486 OG SER X 35 53.005 5.463 10.159 1.00 0.00 O ATOM 0 H SER X 35 49.025 5.796 10.462 1.00 0.00 H new ATOM 0 HA SER X 35 51.233 7.389 9.297 1.00 0.00 H new ATOM 0 HB2 SER X 35 52.015 6.704 11.487 1.00 0.00 H new ATOM 0 HB3 SER X 35 51.325 5.103 11.313 1.00 0.00 H new ATOM 0 HG SER X 35 53.544 4.984 10.822 1.00 0.00 H new ATOM 492 N SER X 36 51.062 5.922 7.328 1.00 0.00 N ATOM 493 CA SER X 36 51.034 5.067 6.148 1.00 0.00 C ATOM 494 C SER X 36 52.450 4.656 5.747 1.00 0.00 C ATOM 495 O SER X 36 52.661 4.113 4.663 1.00 0.00 O ATOM 496 CB SER X 36 50.361 5.798 4.989 1.00 0.00 C ATOM 497 OG SER X 36 49.025 6.122 5.353 1.00 0.00 O ATOM 0 H SER X 36 51.307 6.894 7.142 1.00 0.00 H new ATOM 0 HA SER X 36 50.464 4.169 6.387 1.00 0.00 H new ATOM 0 HB2 SER X 36 50.914 6.705 4.745 1.00 0.00 H new ATOM 0 HB3 SER X 36 50.366 5.172 4.097 1.00 0.00 H new ATOM 0 HG SER X 36 48.589 6.593 4.612 1.00 0.00 H new ATOM 503 N ARG X 37 53.421 4.924 6.620 1.00 0.00 N ATOM 504 CA ARG X 37 54.806 4.582 6.335 1.00 0.00 C ATOM 505 C ARG X 37 54.966 3.075 6.176 1.00 0.00 C ATOM 506 O ARG X 37 55.703 2.608 5.307 1.00 0.00 O ATOM 507 CB ARG X 37 55.702 5.077 7.470 1.00 0.00 C ATOM 508 CG ARG X 37 55.756 6.604 7.446 1.00 0.00 C ATOM 509 CD ARG X 37 56.487 7.105 8.688 1.00 0.00 C ATOM 510 NE ARG X 37 55.710 6.818 9.890 1.00 0.00 N ATOM 511 CZ ARG X 37 56.190 7.080 11.106 1.00 0.00 C ATOM 512 NH1 ARG X 37 57.381 7.607 11.256 1.00 0.00 N ATOM 513 NH2 ARG X 37 55.467 6.812 12.159 1.00 0.00 N ATOM 0 H ARG X 37 53.271 5.374 7.523 1.00 0.00 H new ATOM 0 HA ARG X 37 55.098 5.063 5.402 1.00 0.00 H new ATOM 0 HB2 ARG X 37 55.317 4.731 8.429 1.00 0.00 H new ATOM 0 HB3 ARG X 37 56.705 4.665 7.362 1.00 0.00 H new ATOM 0 HG2 ARG X 37 56.268 6.947 6.547 1.00 0.00 H new ATOM 0 HG3 ARG X 37 54.747 7.014 7.414 1.00 0.00 H new ATOM 0 HD2 ARG X 37 57.465 6.629 8.758 1.00 0.00 H new ATOM 0 HD3 ARG X 37 56.660 8.178 8.607 1.00 0.00 H new ATOM 0 HE ARG X 37 54.780 6.408 9.798 1.00 0.00 H new ATOM 0 HH11 ARG X 37 57.951 7.821 10.437 1.00 0.00 H new ATOM 0 HH12 ARG X 37 57.738 7.803 12.191 1.00 0.00 H new ATOM 0 HH21 ARG X 37 54.539 6.404 12.050 1.00 0.00 H new ATOM 0 HH22 ARG X 37 55.830 7.011 13.091 1.00 0.00 H new ATOM 527 N ARG X 38 54.271 2.318 7.020 1.00 0.00 N ATOM 528 CA ARG X 38 54.345 0.863 6.958 1.00 0.00 C ATOM 529 C ARG X 38 52.950 0.251 7.032 1.00 0.00 C ATOM 530 O ARG X 38 52.104 0.705 7.800 1.00 0.00 O ATOM 531 CB ARG X 38 55.198 0.336 8.110 1.00 0.00 C ATOM 532 CG ARG X 38 56.625 0.866 7.971 1.00 0.00 C ATOM 533 CD ARG X 38 57.424 0.512 9.222 1.00 0.00 C ATOM 534 NE ARG X 38 56.895 1.214 10.384 1.00 0.00 N ATOM 535 CZ ARG X 38 57.402 1.020 11.602 1.00 0.00 C ATOM 536 NH1 ARG X 38 58.396 0.186 11.788 1.00 0.00 N ATOM 537 NH2 ARG X 38 56.904 1.666 12.623 1.00 0.00 N ATOM 0 H ARG X 38 53.656 2.683 7.747 1.00 0.00 H new ATOM 0 HA ARG X 38 54.802 0.581 6.009 1.00 0.00 H new ATOM 0 HB2 ARG X 38 54.774 0.649 9.064 1.00 0.00 H new ATOM 0 HB3 ARG X 38 55.201 -0.754 8.105 1.00 0.00 H new ATOM 0 HG2 ARG X 38 57.100 0.435 7.089 1.00 0.00 H new ATOM 0 HG3 ARG X 38 56.611 1.947 7.830 1.00 0.00 H new ATOM 0 HD2 ARG X 38 57.386 -0.564 9.392 1.00 0.00 H new ATOM 0 HD3 ARG X 38 58.472 0.775 9.077 1.00 0.00 H new ATOM 0 HE ARG X 38 56.121 1.867 10.263 1.00 0.00 H new ATOM 0 HH11 ARG X 38 58.790 -0.323 10.996 1.00 0.00 H new ATOM 0 HH12 ARG X 38 58.776 0.046 12.724 1.00 0.00 H new ATOM 0 HH21 ARG X 38 56.130 2.316 12.487 1.00 0.00 H new ATOM 0 HH22 ARG X 38 57.289 1.520 13.556 1.00 0.00 H new ATOM 551 N ALA X 39 52.721 -0.783 6.230 1.00 0.00 N ATOM 552 CA ALA X 39 51.428 -1.455 6.215 1.00 0.00 C ATOM 553 C ALA X 39 51.613 -2.966 6.283 1.00 0.00 C ATOM 554 O ALA X 39 51.410 -3.670 5.294 1.00 0.00 O ATOM 555 CB ALA X 39 50.660 -1.087 4.944 1.00 0.00 C ATOM 0 H ALA X 39 53.409 -1.172 5.586 1.00 0.00 H new ATOM 0 HA ALA X 39 50.859 -1.130 7.086 1.00 0.00 H new ATOM 0 HB1 ALA X 39 49.695 -1.594 4.942 1.00 0.00 H new ATOM 0 HB2 ALA X 39 50.503 -0.009 4.913 1.00 0.00 H new ATOM 0 HB3 ALA X 39 51.234 -1.396 4.070 1.00 0.00 H new ATOM 561 N PRO X 40 52.001 -3.469 7.423 1.00 0.00 N ATOM 562 CA PRO X 40 52.228 -4.930 7.626 1.00 0.00 C ATOM 563 C PRO X 40 50.921 -5.715 7.720 1.00 0.00 C ATOM 564 O PRO X 40 50.636 -6.352 8.734 1.00 0.00 O ATOM 565 CB PRO X 40 53.007 -4.989 8.943 1.00 0.00 C ATOM 566 CG PRO X 40 52.615 -3.756 9.691 1.00 0.00 C ATOM 567 CD PRO X 40 52.270 -2.695 8.645 1.00 0.00 C ATOM 0 HA PRO X 40 52.759 -5.384 6.790 1.00 0.00 H new ATOM 0 HB2 PRO X 40 52.757 -5.887 9.508 1.00 0.00 H new ATOM 0 HB3 PRO X 40 54.082 -5.014 8.763 1.00 0.00 H new ATOM 0 HG2 PRO X 40 51.761 -3.952 10.339 1.00 0.00 H new ATOM 0 HG3 PRO X 40 53.429 -3.417 10.331 1.00 0.00 H new ATOM 0 HD2 PRO X 40 51.402 -2.108 8.944 1.00 0.00 H new ATOM 0 HD3 PRO X 40 53.093 -1.995 8.500 1.00 0.00 H new ATOM 575 N GLN X 41 50.134 -5.672 6.649 1.00 0.00 N ATOM 576 CA GLN X 41 48.869 -6.393 6.619 1.00 0.00 C ATOM 577 C GLN X 41 48.053 -6.105 7.877 1.00 0.00 C ATOM 578 O GLN X 41 47.665 -7.022 8.598 1.00 0.00 O ATOM 579 CB GLN X 41 49.126 -7.895 6.501 1.00 0.00 C ATOM 580 CG GLN X 41 49.917 -8.179 5.222 1.00 0.00 C ATOM 581 CD GLN X 41 49.140 -7.689 4.006 1.00 0.00 C ATOM 582 OE1 GLN X 41 48.004 -8.109 3.782 1.00 0.00 O ATOM 583 NE2 GLN X 41 49.686 -6.816 3.202 1.00 0.00 N ATOM 0 H GLN X 41 50.348 -5.150 5.799 1.00 0.00 H new ATOM 0 HA GLN X 41 48.301 -6.055 5.752 1.00 0.00 H new ATOM 0 HB2 GLN X 41 49.680 -8.249 7.370 1.00 0.00 H new ATOM 0 HB3 GLN X 41 48.180 -8.436 6.484 1.00 0.00 H new ATOM 0 HG2 GLN X 41 50.887 -7.684 5.267 1.00 0.00 H new ATOM 0 HG3 GLN X 41 50.109 -9.248 5.134 1.00 0.00 H new ATOM 0 HE21 GLN X 41 50.627 -6.469 3.389 1.00 0.00 H new ATOM 0 HE22 GLN X 41 49.171 -6.481 2.387 1.00 0.00 H new ATOM 592 N THR X 42 47.801 -4.826 8.135 1.00 0.00 N ATOM 593 CA THR X 42 47.033 -4.435 9.313 1.00 0.00 C ATOM 594 C THR X 42 46.020 -3.351 8.952 1.00 0.00 C ATOM 595 O THR X 42 46.238 -2.569 8.026 1.00 0.00 O ATOM 596 CB THR X 42 47.977 -3.915 10.400 1.00 0.00 C ATOM 597 OG1 THR X 42 47.233 -3.641 11.580 1.00 0.00 O ATOM 598 CG2 THR X 42 48.661 -2.635 9.918 1.00 0.00 C ATOM 0 H THR X 42 48.113 -4.050 7.552 1.00 0.00 H new ATOM 0 HA THR X 42 46.497 -5.308 9.685 1.00 0.00 H new ATOM 0 HB THR X 42 48.734 -4.669 10.613 1.00 0.00 H new ATOM 0 HG1 THR X 42 46.935 -2.707 11.570 1.00 0.00 H new ATOM 0 HG21 THR X 42 49.332 -2.267 10.694 1.00 0.00 H new ATOM 0 HG22 THR X 42 49.232 -2.846 9.014 1.00 0.00 H new ATOM 0 HG23 THR X 42 47.907 -1.878 9.702 1.00 0.00 H new ATOM 606 N GLY X 43 44.911 -3.312 9.686 1.00 0.00 N ATOM 607 CA GLY X 43 43.871 -2.325 9.434 1.00 0.00 C ATOM 608 C GLY X 43 42.779 -2.409 10.497 1.00 0.00 C ATOM 609 O GLY X 43 42.845 -3.237 11.406 1.00 0.00 O ATOM 0 H GLY X 43 44.712 -3.950 10.456 1.00 0.00 H new ATOM 0 HA2 GLY X 43 44.305 -1.325 9.429 1.00 0.00 H new ATOM 0 HA3 GLY X 43 43.438 -2.489 8.447 1.00 0.00 H new ATOM 613 N ILE X 44 41.777 -1.544 10.380 1.00 0.00 N ATOM 614 CA ILE X 44 40.679 -1.525 11.334 1.00 0.00 C ATOM 615 C ILE X 44 39.935 -2.854 11.328 1.00 0.00 C ATOM 616 O ILE X 44 39.647 -3.420 12.384 1.00 0.00 O ATOM 617 CB ILE X 44 39.713 -0.395 10.983 1.00 0.00 C ATOM 618 CG1 ILE X 44 40.380 0.955 11.252 1.00 0.00 C ATOM 619 CG2 ILE X 44 38.460 -0.522 11.833 1.00 0.00 C ATOM 620 CD1 ILE X 44 39.533 2.075 10.643 1.00 0.00 C ATOM 0 H ILE X 44 41.704 -0.850 9.636 1.00 0.00 H new ATOM 0 HA ILE X 44 41.089 -1.362 12.331 1.00 0.00 H new ATOM 0 HB ILE X 44 39.446 -0.460 9.928 1.00 0.00 H new ATOM 0 HG12 ILE X 44 40.490 1.111 12.325 1.00 0.00 H new ATOM 0 HG13 ILE X 44 41.382 0.969 10.824 1.00 0.00 H new ATOM 0 HG21 ILE X 44 37.769 0.283 11.585 1.00 0.00 H new ATOM 0 HG22 ILE X 44 37.983 -1.483 11.637 1.00 0.00 H new ATOM 0 HG23 ILE X 44 38.728 -0.458 12.888 1.00 0.00 H new ATOM 0 HD11 ILE X 44 40.009 3.037 10.835 1.00 0.00 H new ATOM 0 HD12 ILE X 44 39.446 1.922 9.567 1.00 0.00 H new ATOM 0 HD13 ILE X 44 38.540 2.065 11.092 1.00 0.00 H new ATOM 632 N VAL X 45 39.627 -3.348 10.132 1.00 0.00 N ATOM 633 CA VAL X 45 38.917 -4.615 9.998 1.00 0.00 C ATOM 634 C VAL X 45 39.726 -5.750 10.601 1.00 0.00 C ATOM 635 O VAL X 45 39.189 -6.584 11.323 1.00 0.00 O ATOM 636 CB VAL X 45 38.648 -4.913 8.525 1.00 0.00 C ATOM 637 CG1 VAL X 45 38.155 -6.357 8.379 1.00 0.00 C ATOM 638 CG2 VAL X 45 37.571 -3.956 8.005 1.00 0.00 C ATOM 0 H VAL X 45 39.856 -2.894 9.248 1.00 0.00 H new ATOM 0 HA VAL X 45 37.970 -4.532 10.532 1.00 0.00 H new ATOM 0 HB VAL X 45 39.566 -4.781 7.952 1.00 0.00 H new ATOM 0 HG11 VAL X 45 37.962 -6.571 7.328 1.00 0.00 H new ATOM 0 HG12 VAL X 45 38.916 -7.041 8.755 1.00 0.00 H new ATOM 0 HG13 VAL X 45 37.236 -6.487 8.950 1.00 0.00 H new ATOM 0 HG21 VAL X 45 37.376 -4.165 6.953 1.00 0.00 H new ATOM 0 HG22 VAL X 45 36.654 -4.093 8.579 1.00 0.00 H new ATOM 0 HG23 VAL X 45 37.916 -2.927 8.112 1.00 0.00 H new ATOM 648 N ASP X 46 41.016 -5.775 10.297 1.00 0.00 N ATOM 649 CA ASP X 46 41.889 -6.817 10.815 1.00 0.00 C ATOM 650 C ASP X 46 41.967 -6.749 12.334 1.00 0.00 C ATOM 651 O ASP X 46 41.989 -7.778 12.999 1.00 0.00 O ATOM 652 CB ASP X 46 43.296 -6.667 10.229 1.00 0.00 C ATOM 653 CG ASP X 46 44.150 -7.884 10.578 1.00 0.00 C ATOM 654 OD1 ASP X 46 44.127 -8.296 11.726 1.00 0.00 O ATOM 655 OD2 ASP X 46 44.812 -8.390 9.686 1.00 0.00 O ATOM 0 H ASP X 46 41.478 -5.090 9.698 1.00 0.00 H new ATOM 0 HA ASP X 46 41.474 -7.782 10.524 1.00 0.00 H new ATOM 0 HB2 ASP X 46 43.236 -6.555 9.146 1.00 0.00 H new ATOM 0 HB3 ASP X 46 43.764 -5.763 10.617 1.00 0.00 H new ATOM 660 N GLU X 47 42.033 -5.538 12.878 1.00 0.00 N ATOM 661 CA GLU X 47 42.140 -5.387 14.323 1.00 0.00 C ATOM 662 C GLU X 47 40.929 -5.977 15.037 1.00 0.00 C ATOM 663 O GLU X 47 41.077 -6.777 15.961 1.00 0.00 O ATOM 664 CB GLU X 47 42.237 -3.898 14.662 1.00 0.00 C ATOM 665 CG GLU X 47 42.332 -3.710 16.179 1.00 0.00 C ATOM 666 CD GLU X 47 43.592 -4.384 16.702 1.00 0.00 C ATOM 667 OE1 GLU X 47 44.492 -4.601 15.908 1.00 0.00 O ATOM 668 OE2 GLU X 47 43.638 -4.677 17.885 1.00 0.00 O ATOM 0 H GLU X 47 42.015 -4.664 12.352 1.00 0.00 H new ATOM 0 HA GLU X 47 43.030 -5.921 14.657 1.00 0.00 H new ATOM 0 HB2 GLU X 47 43.111 -3.463 14.178 1.00 0.00 H new ATOM 0 HB3 GLU X 47 41.364 -3.371 14.276 1.00 0.00 H new ATOM 0 HG2 GLU X 47 42.348 -2.648 16.423 1.00 0.00 H new ATOM 0 HG3 GLU X 47 41.453 -4.135 16.663 1.00 0.00 H new ATOM 675 N CYS X 48 39.736 -5.577 14.609 1.00 0.00 N ATOM 676 CA CYS X 48 38.510 -6.072 15.224 1.00 0.00 C ATOM 677 C CYS X 48 38.271 -7.538 14.872 1.00 0.00 C ATOM 678 O CYS X 48 37.832 -8.326 15.710 1.00 0.00 O ATOM 679 CB CYS X 48 37.316 -5.245 14.752 1.00 0.00 C ATOM 680 SG CYS X 48 37.444 -3.570 15.426 1.00 0.00 S ATOM 0 H CYS X 48 39.592 -4.917 13.845 1.00 0.00 H new ATOM 0 HA CYS X 48 38.620 -5.983 16.305 1.00 0.00 H new ATOM 0 HB2 CYS X 48 37.291 -5.210 13.663 1.00 0.00 H new ATOM 0 HB3 CYS X 48 36.385 -5.710 15.077 1.00 0.00 H new ATOM 685 N CYS X 49 38.547 -7.888 13.619 1.00 0.00 N ATOM 686 CA CYS X 49 38.345 -9.254 13.153 1.00 0.00 C ATOM 687 C CYS X 49 39.221 -10.233 13.926 1.00 0.00 C ATOM 688 O CYS X 49 38.748 -11.270 14.388 1.00 0.00 O ATOM 689 CB CYS X 49 38.662 -9.349 11.657 1.00 0.00 C ATOM 690 SG CYS X 49 38.331 -11.032 11.074 1.00 0.00 S ATOM 0 H CYS X 49 38.909 -7.248 12.912 1.00 0.00 H new ATOM 0 HA CYS X 49 37.301 -9.518 13.323 1.00 0.00 H new ATOM 0 HB2 CYS X 49 38.056 -8.634 11.100 1.00 0.00 H new ATOM 0 HB3 CYS X 49 39.706 -9.090 11.478 1.00 0.00 H new ATOM 695 N PHE X 50 40.500 -9.899 14.059 1.00 0.00 N ATOM 696 CA PHE X 50 41.428 -10.765 14.772 1.00 0.00 C ATOM 697 C PHE X 50 41.384 -10.476 16.271 1.00 0.00 C ATOM 698 O PHE X 50 40.882 -11.279 17.055 1.00 0.00 O ATOM 699 CB PHE X 50 42.844 -10.538 14.238 1.00 0.00 C ATOM 700 CG PHE X 50 42.980 -11.201 12.888 1.00 0.00 C ATOM 701 CD1 PHE X 50 42.456 -10.572 11.751 1.00 0.00 C ATOM 702 CD2 PHE X 50 43.635 -12.431 12.770 1.00 0.00 C ATOM 703 CE1 PHE X 50 42.586 -11.174 10.493 1.00 0.00 C ATOM 704 CE2 PHE X 50 43.765 -13.035 11.512 1.00 0.00 C ATOM 705 CZ PHE X 50 43.241 -12.407 10.374 1.00 0.00 C ATOM 0 H PHE X 50 40.913 -9.044 13.686 1.00 0.00 H new ATOM 0 HA PHE X 50 41.139 -11.804 14.613 1.00 0.00 H new ATOM 0 HB2 PHE X 50 43.047 -9.470 14.154 1.00 0.00 H new ATOM 0 HB3 PHE X 50 43.577 -10.948 14.933 1.00 0.00 H new ATOM 0 HD1 PHE X 50 41.951 -9.622 11.845 1.00 0.00 H new ATOM 0 HD2 PHE X 50 44.040 -12.915 13.647 1.00 0.00 H new ATOM 0 HE1 PHE X 50 42.182 -10.689 9.617 1.00 0.00 H new ATOM 0 HE2 PHE X 50 44.270 -13.985 11.419 1.00 0.00 H new ATOM 0 HZ PHE X 50 43.342 -12.873 9.405 1.00 0.00 H new ATOM 715 N ARG X 51 41.916 -9.320 16.657 1.00 0.00 N ATOM 716 CA ARG X 51 41.938 -8.926 18.060 1.00 0.00 C ATOM 717 C ARG X 51 40.588 -8.362 18.481 1.00 0.00 C ATOM 718 O ARG X 51 39.747 -8.043 17.643 1.00 0.00 O ATOM 719 CB ARG X 51 43.031 -7.881 18.299 1.00 0.00 C ATOM 720 CG ARG X 51 44.401 -8.562 18.275 1.00 0.00 C ATOM 721 CD ARG X 51 45.472 -7.570 18.732 1.00 0.00 C ATOM 722 NE ARG X 51 45.726 -6.589 17.684 1.00 0.00 N ATOM 723 CZ ARG X 51 46.547 -6.859 16.665 1.00 0.00 C ATOM 724 NH1 ARG X 51 47.140 -8.025 16.570 1.00 0.00 N ATOM 725 NH2 ARG X 51 46.761 -5.956 15.747 1.00 0.00 N ATOM 0 H ARG X 51 42.336 -8.643 16.020 1.00 0.00 H new ATOM 0 HA ARG X 51 42.151 -9.811 18.659 1.00 0.00 H new ATOM 0 HB2 ARG X 51 42.984 -7.108 17.532 1.00 0.00 H new ATOM 0 HB3 ARG X 51 42.875 -7.388 19.259 1.00 0.00 H new ATOM 0 HG2 ARG X 51 44.396 -9.435 18.928 1.00 0.00 H new ATOM 0 HG3 ARG X 51 44.625 -8.917 17.269 1.00 0.00 H new ATOM 0 HD2 ARG X 51 45.147 -7.066 19.642 1.00 0.00 H new ATOM 0 HD3 ARG X 51 46.392 -8.102 18.974 1.00 0.00 H new ATOM 0 HE ARG X 51 45.268 -5.679 17.730 1.00 0.00 H new ATOM 0 HH11 ARG X 51 46.977 -8.739 17.279 1.00 0.00 H new ATOM 0 HH12 ARG X 51 47.764 -8.217 15.787 1.00 0.00 H new ATOM 0 HH21 ARG X 51 46.302 -5.047 15.809 1.00 0.00 H new ATOM 0 HH22 ARG X 51 47.387 -6.159 14.968 1.00 0.00 H new ATOM 739 N SER X 52 40.382 -8.240 19.786 1.00 0.00 N ATOM 740 CA SER X 52 39.127 -7.708 20.297 1.00 0.00 C ATOM 741 C SER X 52 39.230 -6.199 20.493 1.00 0.00 C ATOM 742 O SER X 52 39.628 -5.728 21.558 1.00 0.00 O ATOM 743 CB SER X 52 38.783 -8.376 21.627 1.00 0.00 C ATOM 744 OG SER X 52 38.525 -9.756 21.407 1.00 0.00 O ATOM 0 H SER X 52 41.060 -8.499 20.503 1.00 0.00 H new ATOM 0 HA SER X 52 38.340 -7.917 19.573 1.00 0.00 H new ATOM 0 HB2 SER X 52 39.606 -8.256 22.331 1.00 0.00 H new ATOM 0 HB3 SER X 52 37.911 -7.898 22.072 1.00 0.00 H new ATOM 0 HG SER X 52 37.558 -9.913 21.411 1.00 0.00 H new ATOM 750 N CYS X 53 38.866 -5.444 19.460 1.00 0.00 N ATOM 751 CA CYS X 53 38.921 -3.990 19.535 1.00 0.00 C ATOM 752 C CYS X 53 37.807 -3.457 20.430 1.00 0.00 C ATOM 753 O CYS X 53 36.718 -4.027 20.486 1.00 0.00 O ATOM 754 CB CYS X 53 38.794 -3.392 18.130 1.00 0.00 C ATOM 755 SG CYS X 53 37.188 -3.826 17.414 1.00 0.00 S ATOM 0 H CYS X 53 38.533 -5.812 18.569 1.00 0.00 H new ATOM 0 HA CYS X 53 39.880 -3.699 19.965 1.00 0.00 H new ATOM 0 HB2 CYS X 53 38.900 -2.308 18.176 1.00 0.00 H new ATOM 0 HB3 CYS X 53 39.597 -3.764 17.494 1.00 0.00 H new ATOM 760 N ASP X 54 38.088 -2.360 21.126 1.00 0.00 N ATOM 761 CA ASP X 54 37.103 -1.758 22.016 1.00 0.00 C ATOM 762 C ASP X 54 35.978 -1.102 21.219 1.00 0.00 C ATOM 763 O ASP X 54 36.204 -0.559 20.137 1.00 0.00 O ATOM 764 CB ASP X 54 37.773 -0.712 22.908 1.00 0.00 C ATOM 765 CG ASP X 54 38.660 -1.400 23.942 1.00 0.00 C ATOM 766 OD1 ASP X 54 38.539 -2.605 24.090 1.00 0.00 O ATOM 767 OD2 ASP X 54 39.448 -0.712 24.569 1.00 0.00 O ATOM 0 H ASP X 54 38.984 -1.873 21.091 1.00 0.00 H new ATOM 0 HA ASP X 54 36.678 -2.548 22.635 1.00 0.00 H new ATOM 0 HB2 ASP X 54 38.369 -0.032 22.300 1.00 0.00 H new ATOM 0 HB3 ASP X 54 37.015 -0.110 23.409 1.00 0.00 H new ATOM 772 N LEU X 55 34.769 -1.153 21.763 1.00 0.00 N ATOM 773 CA LEU X 55 33.617 -0.554 21.098 1.00 0.00 C ATOM 774 C LEU X 55 33.797 0.955 20.980 1.00 0.00 C ATOM 775 O LEU X 55 33.448 1.555 19.964 1.00 0.00 O ATOM 776 CB LEU X 55 32.341 -0.863 21.884 1.00 0.00 C ATOM 777 CG LEU X 55 32.011 -2.354 21.763 1.00 0.00 C ATOM 778 CD1 LEU X 55 30.899 -2.710 22.751 1.00 0.00 C ATOM 779 CD2 LEU X 55 31.543 -2.664 20.335 1.00 0.00 C ATOM 0 H LEU X 55 34.560 -1.599 22.656 1.00 0.00 H new ATOM 0 HA LEU X 55 33.534 -0.977 20.097 1.00 0.00 H new ATOM 0 HB2 LEU X 55 32.473 -0.593 22.932 1.00 0.00 H new ATOM 0 HB3 LEU X 55 31.513 -0.265 21.503 1.00 0.00 H new ATOM 0 HG LEU X 55 32.901 -2.941 21.987 1.00 0.00 H new ATOM 0 HD11 LEU X 55 30.663 -3.771 22.666 1.00 0.00 H new ATOM 0 HD12 LEU X 55 31.231 -2.492 23.766 1.00 0.00 H new ATOM 0 HD13 LEU X 55 30.010 -2.121 22.526 1.00 0.00 H new ATOM 0 HD21 LEU X 55 31.309 -3.725 20.251 1.00 0.00 H new ATOM 0 HD22 LEU X 55 30.653 -2.077 20.108 1.00 0.00 H new ATOM 0 HD23 LEU X 55 32.334 -2.410 19.630 1.00 0.00 H new ATOM 791 N ARG X 56 34.349 1.563 22.025 1.00 0.00 N ATOM 792 CA ARG X 56 34.570 3.003 22.024 1.00 0.00 C ATOM 793 C ARG X 56 35.491 3.402 20.872 1.00 0.00 C ATOM 794 O ARG X 56 35.212 4.361 20.153 1.00 0.00 O ATOM 795 CB ARG X 56 35.190 3.437 23.353 1.00 0.00 C ATOM 796 CG ARG X 56 35.399 4.950 23.346 1.00 0.00 C ATOM 797 CD ARG X 56 35.908 5.398 24.713 1.00 0.00 C ATOM 798 NE ARG X 56 37.205 4.794 24.998 1.00 0.00 N ATOM 799 CZ ARG X 56 37.779 4.914 26.195 1.00 0.00 C ATOM 800 NH1 ARG X 56 37.189 5.585 27.154 1.00 0.00 N ATOM 801 NH2 ARG X 56 38.939 4.361 26.415 1.00 0.00 N ATOM 0 H ARG X 56 34.649 1.086 22.875 1.00 0.00 H new ATOM 0 HA ARG X 56 33.609 3.501 21.894 1.00 0.00 H new ATOM 0 HB2 ARG X 56 34.540 3.153 24.180 1.00 0.00 H new ATOM 0 HB3 ARG X 56 36.142 2.928 23.506 1.00 0.00 H new ATOM 0 HG2 ARG X 56 36.114 5.226 22.571 1.00 0.00 H new ATOM 0 HG3 ARG X 56 34.463 5.456 23.110 1.00 0.00 H new ATOM 0 HD2 ARG X 56 35.993 6.484 24.738 1.00 0.00 H new ATOM 0 HD3 ARG X 56 35.192 5.116 25.485 1.00 0.00 H new ATOM 0 HE ARG X 56 37.683 4.269 24.266 1.00 0.00 H new ATOM 0 HH11 ARG X 56 36.282 6.021 26.988 1.00 0.00 H new ATOM 0 HH12 ARG X 56 37.637 5.671 28.066 1.00 0.00 H new ATOM 0 HH21 ARG X 56 39.404 3.839 25.672 1.00 0.00 H new ATOM 0 HH22 ARG X 56 39.381 4.451 27.330 1.00 0.00 H new ATOM 815 N ARG X 57 36.583 2.654 20.689 1.00 0.00 N ATOM 816 CA ARG X 57 37.513 2.934 19.618 1.00 0.00 C ATOM 817 C ARG X 57 36.827 2.774 18.269 1.00 0.00 C ATOM 818 O ARG X 57 37.062 3.546 17.348 1.00 0.00 O ATOM 819 CB ARG X 57 38.699 1.983 19.716 1.00 0.00 C ATOM 820 CG ARG X 57 39.635 2.240 18.550 1.00 0.00 C ATOM 821 CD ARG X 57 40.897 1.409 18.728 1.00 0.00 C ATOM 822 NE ARG X 57 41.740 1.960 19.785 1.00 0.00 N ATOM 823 CZ ARG X 57 42.895 1.382 20.125 1.00 0.00 C ATOM 824 NH1 ARG X 57 43.308 0.298 19.515 1.00 0.00 N ATOM 825 NH2 ARG X 57 43.623 1.905 21.073 1.00 0.00 N ATOM 0 H ARG X 57 36.834 1.856 21.272 1.00 0.00 H new ATOM 0 HA ARG X 57 37.864 3.962 19.709 1.00 0.00 H new ATOM 0 HB2 ARG X 57 39.224 2.131 20.660 1.00 0.00 H new ATOM 0 HB3 ARG X 57 38.355 0.949 19.702 1.00 0.00 H new ATOM 0 HG2 ARG X 57 39.145 1.982 17.611 1.00 0.00 H new ATOM 0 HG3 ARG X 57 39.887 3.299 18.497 1.00 0.00 H new ATOM 0 HD2 ARG X 57 40.629 0.381 18.970 1.00 0.00 H new ATOM 0 HD3 ARG X 57 41.454 1.381 17.791 1.00 0.00 H new ATOM 0 HE ARG X 57 41.441 2.804 20.274 1.00 0.00 H new ATOM 0 HH11 ARG X 57 42.745 -0.114 18.771 1.00 0.00 H new ATOM 0 HH12 ARG X 57 44.192 -0.133 19.784 1.00 0.00 H new ATOM 0 HH21 ARG X 57 43.309 2.750 21.550 1.00 0.00 H new ATOM 0 HH22 ARG X 57 44.506 1.469 21.338 1.00 0.00 H new ATOM 839 N LEU X 58 35.978 1.760 18.159 1.00 0.00 N ATOM 840 CA LEU X 58 35.270 1.504 16.911 1.00 0.00 C ATOM 841 C LEU X 58 34.425 2.711 16.519 1.00 0.00 C ATOM 842 O LEU X 58 34.294 3.032 15.338 1.00 0.00 O ATOM 843 CB LEU X 58 34.369 0.276 17.057 1.00 0.00 C ATOM 844 CG LEU X 58 33.830 -0.134 15.684 1.00 0.00 C ATOM 845 CD1 LEU X 58 34.925 -0.852 14.887 1.00 0.00 C ATOM 846 CD2 LEU X 58 32.639 -1.072 15.866 1.00 0.00 C ATOM 0 H LEU X 58 35.764 1.106 18.912 1.00 0.00 H new ATOM 0 HA LEU X 58 36.008 1.319 16.131 1.00 0.00 H new ATOM 0 HB2 LEU X 58 34.929 -0.548 17.499 1.00 0.00 H new ATOM 0 HB3 LEU X 58 33.542 0.498 17.732 1.00 0.00 H new ATOM 0 HG LEU X 58 33.517 0.758 15.141 1.00 0.00 H new ATOM 0 HD11 LEU X 58 34.535 -1.141 13.911 1.00 0.00 H new ATOM 0 HD12 LEU X 58 35.776 -0.184 14.754 1.00 0.00 H new ATOM 0 HD13 LEU X 58 35.244 -1.743 15.428 1.00 0.00 H new ATOM 0 HD21 LEU X 58 32.254 -1.365 14.889 1.00 0.00 H new ATOM 0 HD22 LEU X 58 32.956 -1.960 16.412 1.00 0.00 H new ATOM 0 HD23 LEU X 58 31.856 -0.561 16.426 1.00 0.00 H new ATOM 858 N ASP X 59 33.846 3.369 17.518 1.00 0.00 N ATOM 859 CA ASP X 59 33.009 4.541 17.273 1.00 0.00 C ATOM 860 C ASP X 59 33.786 5.605 16.494 1.00 0.00 C ATOM 861 O ASP X 59 33.198 6.481 15.863 1.00 0.00 O ATOM 862 CB ASP X 59 32.530 5.131 18.601 1.00 0.00 C ATOM 863 CG ASP X 59 31.420 6.148 18.349 1.00 0.00 C ATOM 864 OD1 ASP X 59 31.074 6.346 17.197 1.00 0.00 O ATOM 865 OD2 ASP X 59 30.933 6.712 19.315 1.00 0.00 O ATOM 0 H ASP X 59 33.939 3.113 18.501 1.00 0.00 H new ATOM 0 HA ASP X 59 32.148 4.229 16.682 1.00 0.00 H new ATOM 0 HB2 ASP X 59 32.165 4.336 19.251 1.00 0.00 H new ATOM 0 HB3 ASP X 59 33.362 5.609 19.118 1.00 0.00 H new ATOM 870 N MET X 60 35.110 5.526 16.546 1.00 0.00 N ATOM 871 CA MET X 60 35.957 6.486 15.846 1.00 0.00 C ATOM 872 C MET X 60 35.708 6.427 14.347 1.00 0.00 C ATOM 873 O MET X 60 35.748 7.447 13.660 1.00 0.00 O ATOM 874 CB MET X 60 37.424 6.186 16.119 1.00 0.00 C ATOM 875 CG MET X 60 37.745 6.499 17.581 1.00 0.00 C ATOM 876 SD MET X 60 37.732 8.293 17.823 1.00 0.00 S ATOM 877 CE MET X 60 39.337 8.639 17.053 1.00 0.00 C ATOM 0 H MET X 60 35.620 4.810 17.063 1.00 0.00 H new ATOM 0 HA MET X 60 35.712 7.484 16.211 1.00 0.00 H new ATOM 0 HB2 MET X 60 37.638 5.139 15.905 1.00 0.00 H new ATOM 0 HB3 MET X 60 38.057 6.782 15.461 1.00 0.00 H new ATOM 0 HG2 MET X 60 37.013 6.026 18.236 1.00 0.00 H new ATOM 0 HG3 MET X 60 38.720 6.091 17.847 1.00 0.00 H new ATOM 0 HE1 MET X 60 40.009 9.073 17.793 1.00 0.00 H new ATOM 0 HE2 MET X 60 39.766 7.712 16.673 1.00 0.00 H new ATOM 0 HE3 MET X 60 39.202 9.340 16.230 1.00 0.00 H new ATOM 887 N TYR X 61 35.464 5.225 13.837 1.00 0.00 N ATOM 888 CA TYR X 61 35.227 5.046 12.405 1.00 0.00 C ATOM 889 C TYR X 61 33.781 5.397 12.026 1.00 0.00 C ATOM 890 O TYR X 61 33.264 4.913 11.016 1.00 0.00 O ATOM 891 CB TYR X 61 35.520 3.597 12.007 1.00 0.00 C ATOM 892 CG TYR X 61 36.710 3.093 12.793 1.00 0.00 C ATOM 893 CD1 TYR X 61 36.632 1.872 13.467 1.00 0.00 C ATOM 894 CD2 TYR X 61 37.886 3.853 12.852 1.00 0.00 C ATOM 895 CE1 TYR X 61 37.731 1.406 14.199 1.00 0.00 C ATOM 896 CE2 TYR X 61 38.984 3.389 13.587 1.00 0.00 C ATOM 897 CZ TYR X 61 38.906 2.163 14.260 1.00 0.00 C ATOM 898 OH TYR X 61 39.988 1.700 14.982 1.00 0.00 O ATOM 0 H TYR X 61 35.425 4.366 14.386 1.00 0.00 H new ATOM 0 HA TYR X 61 35.894 5.721 11.869 1.00 0.00 H new ATOM 0 HB2 TYR X 61 34.649 2.971 12.202 1.00 0.00 H new ATOM 0 HB3 TYR X 61 35.723 3.536 10.938 1.00 0.00 H new ATOM 0 HD1 TYR X 61 35.725 1.288 13.424 1.00 0.00 H new ATOM 0 HD2 TYR X 61 37.945 4.797 12.330 1.00 0.00 H new ATOM 0 HE1 TYR X 61 37.671 0.460 14.717 1.00 0.00 H new ATOM 0 HE2 TYR X 61 39.890 3.976 13.635 1.00 0.00 H new ATOM 0 HH TYR X 61 40.723 2.345 14.920 1.00 0.00 H new ATOM 908 N CYS X 62 33.142 6.245 12.830 1.00 0.00 N ATOM 909 CA CYS X 62 31.774 6.661 12.566 1.00 0.00 C ATOM 910 C CYS X 62 31.767 8.003 11.845 1.00 0.00 C ATOM 911 O CYS X 62 32.723 8.774 11.935 1.00 0.00 O ATOM 912 CB CYS X 62 31.001 6.776 13.881 1.00 0.00 C ATOM 913 SG CYS X 62 30.783 5.129 14.594 1.00 0.00 S ATOM 0 H CYS X 62 33.553 6.655 13.669 1.00 0.00 H new ATOM 0 HA CYS X 62 31.294 5.915 11.933 1.00 0.00 H new ATOM 0 HB2 CYS X 62 31.540 7.418 14.578 1.00 0.00 H new ATOM 0 HB3 CYS X 62 30.030 7.240 13.706 1.00 0.00 H new ATOM 918 N ALA X 63 30.684 8.272 11.125 1.00 0.00 N ATOM 919 CA ALA X 63 30.563 9.513 10.385 1.00 0.00 C ATOM 920 C ALA X 63 30.524 10.707 11.340 1.00 0.00 C ATOM 921 O ALA X 63 30.147 10.572 12.503 1.00 0.00 O ATOM 922 CB ALA X 63 29.286 9.493 9.542 1.00 0.00 C ATOM 0 H ALA X 63 29.882 7.647 11.041 1.00 0.00 H new ATOM 0 HA ALA X 63 31.431 9.612 9.733 1.00 0.00 H new ATOM 0 HB1 ALA X 63 29.201 10.428 8.988 1.00 0.00 H new ATOM 0 HB2 ALA X 63 29.326 8.659 8.841 1.00 0.00 H new ATOM 0 HB3 ALA X 63 28.421 9.378 10.195 1.00 0.00 H new ATOM 928 N PRO X 64 30.912 11.861 10.867 1.00 0.00 N ATOM 929 CA PRO X 64 30.935 13.107 11.684 1.00 0.00 C ATOM 930 C PRO X 64 29.537 13.660 11.934 1.00 0.00 C ATOM 931 O PRO X 64 28.597 13.359 11.199 1.00 0.00 O ATOM 932 CB PRO X 64 31.772 14.072 10.846 1.00 0.00 C ATOM 933 CG PRO X 64 31.609 13.610 9.435 1.00 0.00 C ATOM 934 CD PRO X 64 31.367 12.102 9.493 1.00 0.00 C ATOM 0 HA PRO X 64 31.346 12.938 12.679 1.00 0.00 H new ATOM 0 HB2 PRO X 64 31.427 15.099 10.966 1.00 0.00 H new ATOM 0 HB3 PRO X 64 32.819 14.050 11.149 1.00 0.00 H new ATOM 0 HG2 PRO X 64 30.772 14.118 8.955 1.00 0.00 H new ATOM 0 HG3 PRO X 64 32.499 13.837 8.848 1.00 0.00 H new ATOM 0 HD2 PRO X 64 30.617 11.791 8.765 1.00 0.00 H new ATOM 0 HD3 PRO X 64 32.277 11.544 9.272 1.00 0.00 H new ATOM 942 N LEU X 65 29.405 14.469 12.980 1.00 0.00 N ATOM 943 CA LEU X 65 28.116 15.058 13.323 1.00 0.00 C ATOM 944 C LEU X 65 28.122 16.554 13.047 1.00 0.00 C ATOM 945 O LEU X 65 29.136 17.228 13.229 1.00 0.00 O ATOM 946 CB LEU X 65 27.804 14.810 14.798 1.00 0.00 C ATOM 947 CG LEU X 65 27.791 13.306 15.076 1.00 0.00 C ATOM 948 CD1 LEU X 65 27.572 13.064 16.570 1.00 0.00 C ATOM 949 CD2 LEU X 65 26.655 12.651 14.288 1.00 0.00 C ATOM 0 H LEU X 65 30.170 14.731 13.602 1.00 0.00 H new ATOM 0 HA LEU X 65 27.348 14.590 12.707 1.00 0.00 H new ATOM 0 HB2 LEU X 65 28.550 15.299 15.425 1.00 0.00 H new ATOM 0 HB3 LEU X 65 26.838 15.245 15.054 1.00 0.00 H new ATOM 0 HG LEU X 65 28.745 12.875 14.772 1.00 0.00 H new ATOM 0 HD11 LEU X 65 27.563 11.992 16.767 1.00 0.00 H new ATOM 0 HD12 LEU X 65 28.378 13.530 17.136 1.00 0.00 H new ATOM 0 HD13 LEU X 65 26.619 13.497 16.873 1.00 0.00 H new ATOM 0 HD21 LEU X 65 26.646 11.579 14.486 1.00 0.00 H new ATOM 0 HD22 LEU X 65 25.703 13.085 14.594 1.00 0.00 H new ATOM 0 HD23 LEU X 65 26.806 12.822 13.222 1.00 0.00 H new ATOM 961 N LYS X 66 26.981 17.066 12.599 1.00 0.00 N ATOM 962 CA LYS X 66 26.869 18.484 12.292 1.00 0.00 C ATOM 963 C LYS X 66 26.908 19.317 13.576 1.00 0.00 C ATOM 964 O LYS X 66 26.541 18.834 14.647 1.00 0.00 O ATOM 965 CB LYS X 66 25.562 18.760 11.544 1.00 0.00 C ATOM 966 CG LYS X 66 25.635 18.141 10.150 1.00 0.00 C ATOM 967 CD LYS X 66 24.324 18.402 9.408 1.00 0.00 C ATOM 968 CE LYS X 66 24.398 17.782 8.012 1.00 0.00 C ATOM 969 NZ LYS X 66 23.117 18.028 7.291 1.00 0.00 N ATOM 0 H LYS X 66 26.130 16.526 12.442 1.00 0.00 H new ATOM 0 HA LYS X 66 27.713 18.765 11.662 1.00 0.00 H new ATOM 0 HB2 LYS X 66 24.719 18.343 12.096 1.00 0.00 H new ATOM 0 HB3 LYS X 66 25.393 19.834 11.469 1.00 0.00 H new ATOM 0 HG2 LYS X 66 26.471 18.567 9.595 1.00 0.00 H new ATOM 0 HG3 LYS X 66 25.816 17.069 10.225 1.00 0.00 H new ATOM 0 HD2 LYS X 66 23.488 17.976 9.963 1.00 0.00 H new ATOM 0 HD3 LYS X 66 24.143 19.474 9.333 1.00 0.00 H new ATOM 0 HE2 LYS X 66 25.230 18.213 7.455 1.00 0.00 H new ATOM 0 HE3 LYS X 66 24.585 16.711 8.088 1.00 0.00 H new ATOM 0 HZ1 LYS X 66 23.167 17.607 6.341 1.00 0.00 H new ATOM 0 HZ2 LYS X 66 22.332 17.597 7.820 1.00 0.00 H new ATOM 0 HZ3 LYS X 66 22.957 19.052 7.207 1.00 0.00 H new ATOM 983 N PRO X 67 27.341 20.549 13.485 1.00 0.00 N ATOM 984 CA PRO X 67 27.427 21.463 14.663 1.00 0.00 C ATOM 985 C PRO X 67 26.051 21.851 15.196 1.00 0.00 C ATOM 986 O PRO X 67 25.070 21.873 14.452 1.00 0.00 O ATOM 987 CB PRO X 67 28.170 22.686 14.118 1.00 0.00 C ATOM 988 CG PRO X 67 27.924 22.672 12.647 1.00 0.00 C ATOM 989 CD PRO X 67 27.798 21.209 12.251 1.00 0.00 C ATOM 0 HA PRO X 67 27.931 20.994 15.508 1.00 0.00 H new ATOM 0 HB2 PRO X 67 27.799 23.606 14.570 1.00 0.00 H new ATOM 0 HB3 PRO X 67 29.236 22.630 14.339 1.00 0.00 H new ATOM 0 HG2 PRO X 67 27.016 23.222 12.399 1.00 0.00 H new ATOM 0 HG3 PRO X 67 28.743 23.151 12.111 1.00 0.00 H new ATOM 0 HD2 PRO X 67 27.085 21.075 11.438 1.00 0.00 H new ATOM 0 HD3 PRO X 67 28.750 20.804 11.910 1.00 0.00 H new ATOM 997 N ALA X 68 25.987 22.151 16.489 1.00 0.00 N ATOM 998 CA ALA X 68 24.726 22.535 17.113 1.00 0.00 C ATOM 999 C ALA X 68 24.202 23.832 16.507 1.00 0.00 C ATOM 1000 O ALA X 68 24.974 24.738 16.193 1.00 0.00 O ATOM 1001 CB ALA X 68 24.920 22.714 18.619 1.00 0.00 C ATOM 0 H ALA X 68 26.787 22.136 17.121 1.00 0.00 H new ATOM 0 HA ALA X 68 23.998 21.744 16.934 1.00 0.00 H new ATOM 0 HB1 ALA X 68 23.973 23.001 19.076 1.00 0.00 H new ATOM 0 HB2 ALA X 68 25.265 21.777 19.055 1.00 0.00 H new ATOM 0 HB3 ALA X 68 25.661 23.493 18.800 1.00 0.00 H new ATOM 1007 N LYS X 69 22.886 23.914 16.345 1.00 0.00 N ATOM 1008 CA LYS X 69 22.269 25.106 15.775 1.00 0.00 C ATOM 1009 C LYS X 69 22.530 26.319 16.660 1.00 0.00 C ATOM 1010 O LYS X 69 22.777 27.420 16.165 1.00 0.00 O ATOM 1011 CB LYS X 69 20.761 24.893 15.627 1.00 0.00 C ATOM 1012 CG LYS X 69 20.496 23.863 14.529 1.00 0.00 C ATOM 1013 CD LYS X 69 18.988 23.643 14.389 1.00 0.00 C ATOM 1014 CE LYS X 69 18.722 22.591 13.311 1.00 0.00 C ATOM 1015 NZ LYS X 69 19.215 23.089 11.996 1.00 0.00 N ATOM 0 H LYS X 69 22.230 23.175 16.598 1.00 0.00 H new ATOM 0 HA LYS X 69 22.708 25.286 14.794 1.00 0.00 H new ATOM 0 HB2 LYS X 69 20.337 24.551 16.571 1.00 0.00 H new ATOM 0 HB3 LYS X 69 20.272 25.836 15.381 1.00 0.00 H new ATOM 0 HG2 LYS X 69 20.913 24.208 13.583 1.00 0.00 H new ATOM 0 HG3 LYS X 69 20.991 22.922 14.771 1.00 0.00 H new ATOM 0 HD2 LYS X 69 18.568 23.318 15.341 1.00 0.00 H new ATOM 0 HD3 LYS X 69 18.496 24.580 14.127 1.00 0.00 H new ATOM 0 HE2 LYS X 69 19.222 21.657 13.568 1.00 0.00 H new ATOM 0 HE3 LYS X 69 17.655 22.376 13.253 1.00 0.00 H new ATOM 0 HZ1 LYS X 69 18.752 22.561 11.229 1.00 0.00 H new ATOM 0 HZ2 LYS X 69 18.993 24.101 11.903 1.00 0.00 H new ATOM 0 HZ3 LYS X 69 20.244 22.953 11.937 1.00 0.00 H new ATOM 1029 N SER X 70 22.471 26.112 17.972 1.00 0.00 N ATOM 1030 CA SER X 70 22.703 27.198 18.918 1.00 0.00 C ATOM 1031 C SER X 70 21.755 28.361 18.639 1.00 0.00 C ATOM 1032 O SER X 70 22.147 29.525 18.715 1.00 0.00 O ATOM 1033 CB SER X 70 24.149 27.682 18.816 1.00 0.00 C ATOM 1034 OG SER X 70 25.027 26.609 19.129 1.00 0.00 O ATOM 0 H SER X 70 22.266 25.210 18.402 1.00 0.00 H new ATOM 0 HA SER X 70 22.517 26.823 19.925 1.00 0.00 H new ATOM 0 HB2 SER X 70 24.351 28.051 17.810 1.00 0.00 H new ATOM 0 HB3 SER X 70 24.315 28.514 19.500 1.00 0.00 H new ATOM 0 HG SER X 70 25.955 26.916 19.063 1.00 0.00 H new ATOM 1040 N ALA X 71 20.507 28.036 18.316 1.00 0.00 N ATOM 1041 CA ALA X 71 19.512 29.062 18.028 1.00 0.00 C ATOM 1042 C ALA X 71 18.102 28.506 18.201 1.00 0.00 C ATOM 1043 CB ALA X 71 19.689 29.573 16.596 1.00 0.00 C ATOM 0 H ALA X 71 20.163 27.078 18.248 1.00 0.00 H new ATOM 0 HA ALA X 71 19.653 29.885 18.728 1.00 0.00 H new ATOM 0 HB1 ALA X 71 18.942 30.339 16.388 1.00 0.00 H new ATOM 0 HB2 ALA X 71 20.686 29.998 16.482 1.00 0.00 H new ATOM 0 HB3 ALA X 71 19.565 28.746 15.897 1.00 0.00 H new TER 1049 ALA X 71