USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 506 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 Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 12:sc= 1.06 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc=-0.00496 X(o=-0.005,f=-0.02) USER MOD Single : A 34 CYS SG : rot -19:sc= -6.92! USER MOD Single : A 35 SER OG : rot -100:sc= 0.447 USER MOD Single : A 41 SER OG : rot 18:sc= 0.125! USER MOD Single : A 43 HIS : no HE2:sc= -1.63! C(o=-1.6!,f=-4.4!) USER MOD Single : A 49 SER OG : rot -45:sc= 0.709 USER MOD Single : A 54 THR OG1 : rot 84:sc= -3.89! USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-0.077) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.286 K(o=-0.29,f=-2.1!) USER MOD Single : A 88 GLN : amide:sc= -3.81! C(o=-3.8!,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 -5.015 -0.180 0.326 1.00 0.00 N ATOM 2 CA MET A 23 -3.803 0.272 0.988 1.00 0.00 C ATOM 3 C MET A 23 -2.779 0.779 -0.028 1.00 0.00 C ATOM 4 O MET A 23 -1.582 0.532 0.114 1.00 0.00 O ATOM 5 CB MET A 23 -3.199 -0.883 1.790 1.00 0.00 C ATOM 6 CG MET A 23 -2.959 -2.103 0.898 1.00 0.00 C ATOM 7 SD MET A 23 -1.300 -2.718 1.139 1.00 0.00 S ATOM 8 CE MET A 23 -0.858 -3.085 -0.551 1.00 0.00 C ATOM 0 HA MET A 23 -4.061 1.094 1.655 1.00 0.00 H new ATOM 0 HB2 MET A 23 -2.258 -0.566 2.239 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.868 -1.152 2.608 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.683 -2.883 1.133 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.108 -1.834 -0.148 1.00 0.00 H new ATOM 0 HE1 MET A 23 0.157 -3.482 -0.584 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.550 -3.824 -0.956 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.910 -2.174 -1.147 1.00 0.00 H new ATOM 18 N SER A 24 -3.285 1.480 -1.032 1.00 0.00 N ATOM 19 CA SER A 24 -2.429 2.024 -2.072 1.00 0.00 C ATOM 20 C SER A 24 -2.133 3.498 -1.789 1.00 0.00 C ATOM 21 O SER A 24 -3.004 4.351 -1.948 1.00 0.00 O ATOM 22 CB SER A 24 -3.072 1.868 -3.452 1.00 0.00 C ATOM 23 OG SER A 24 -4.168 2.760 -3.635 1.00 0.00 O ATOM 0 H SER A 24 -4.278 1.684 -1.147 1.00 0.00 H new ATOM 0 HA SER A 24 -1.493 1.465 -2.071 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.324 2.050 -4.223 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.416 0.841 -3.578 1.00 0.00 H new ATOM 0 HG SER A 24 -4.176 3.421 -2.911 1.00 0.00 H new ATOM 29 N ILE A 25 -0.901 3.752 -1.373 1.00 0.00 N ATOM 30 CA ILE A 25 -0.479 5.108 -1.065 1.00 0.00 C ATOM 31 C ILE A 25 -0.614 5.976 -2.318 1.00 0.00 C ATOM 32 O ILE A 25 -0.353 5.515 -3.428 1.00 0.00 O ATOM 33 CB ILE A 25 0.928 5.108 -0.465 1.00 0.00 C ATOM 34 CG1 ILE A 25 1.939 4.497 -1.438 1.00 0.00 C ATOM 35 CG2 ILE A 25 0.945 4.406 0.894 1.00 0.00 C ATOM 36 CD1 ILE A 25 2.536 5.568 -2.353 1.00 0.00 C ATOM 0 H ILE A 25 -0.181 3.041 -1.242 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.125 5.545 -0.303 1.00 0.00 H new ATOM 0 HB ILE A 25 1.227 6.143 -0.297 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.736 4.006 -0.879 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.452 3.730 -2.040 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.957 4.420 1.298 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.273 4.923 1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.617 3.374 0.774 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.251 5.107 -3.034 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.740 6.040 -2.928 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.043 6.321 -1.749 1.00 0.00 H new ATOM 48 N GLU A 26 -1.022 7.217 -2.098 1.00 0.00 N ATOM 49 CA GLU A 26 -1.195 8.153 -3.195 1.00 0.00 C ATOM 50 C GLU A 26 -0.054 9.173 -3.207 1.00 0.00 C ATOM 51 O GLU A 26 0.676 9.304 -2.226 1.00 0.00 O ATOM 52 CB GLU A 26 -2.554 8.852 -3.111 1.00 0.00 C ATOM 53 CG GLU A 26 -3.171 9.020 -4.501 1.00 0.00 C ATOM 54 CD GLU A 26 -3.407 10.497 -4.821 1.00 0.00 C ATOM 55 OE1 GLU A 26 -4.172 11.127 -4.059 1.00 0.00 O ATOM 56 OE2 GLU A 26 -2.818 10.963 -5.821 1.00 0.00 O ATOM 0 H GLU A 26 -1.238 7.596 -1.176 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.168 7.595 -4.131 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.226 8.273 -2.478 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.436 9.828 -2.641 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.512 8.583 -5.251 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.115 8.478 -4.552 1.00 0.00 H new ATOM 63 N ILE A 27 0.063 9.869 -4.328 1.00 0.00 N ATOM 64 CA ILE A 27 1.102 10.873 -4.481 1.00 0.00 C ATOM 65 C ILE A 27 0.522 12.097 -5.193 1.00 0.00 C ATOM 66 O ILE A 27 -0.161 11.964 -6.207 1.00 0.00 O ATOM 67 CB ILE A 27 2.325 10.276 -5.181 1.00 0.00 C ATOM 68 CG1 ILE A 27 3.620 10.725 -4.501 1.00 0.00 C ATOM 69 CG2 ILE A 27 2.317 10.607 -6.675 1.00 0.00 C ATOM 70 CD1 ILE A 27 3.625 12.239 -4.278 1.00 0.00 C ATOM 0 H ILE A 27 -0.545 9.757 -5.139 1.00 0.00 H new ATOM 0 HA ILE A 27 1.454 11.209 -3.506 1.00 0.00 H new ATOM 0 HB ILE A 27 2.274 9.191 -5.091 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.730 10.213 -3.545 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.475 10.441 -5.115 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.197 10.171 -7.149 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.417 10.197 -7.134 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.332 11.689 -6.808 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.556 12.532 -3.793 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.539 12.748 -5.238 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.783 12.516 -3.644 1.00 0.00 H new ATOM 82 N ASP A 28 0.816 13.261 -4.634 1.00 0.00 N ATOM 83 CA ASP A 28 0.332 14.508 -5.202 1.00 0.00 C ATOM 84 C ASP A 28 1.522 15.422 -5.502 1.00 0.00 C ATOM 85 O ASP A 28 1.918 16.228 -4.660 1.00 0.00 O ATOM 86 CB ASP A 28 -0.590 15.238 -4.224 1.00 0.00 C ATOM 87 CG ASP A 28 -1.774 15.962 -4.870 1.00 0.00 C ATOM 88 OD1 ASP A 28 -1.856 17.195 -4.682 1.00 0.00 O ATOM 89 OD2 ASP A 28 -2.569 15.266 -5.537 1.00 0.00 O ATOM 0 H ASP A 28 1.384 13.367 -3.793 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.221 14.272 -6.111 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.974 14.517 -3.503 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.000 15.964 -3.665 1.00 0.00 H new ATOM 94 N SER A 29 2.059 15.267 -6.703 1.00 0.00 N ATOM 95 CA SER A 29 3.195 16.069 -7.124 1.00 0.00 C ATOM 96 C SER A 29 2.743 17.497 -7.431 1.00 0.00 C ATOM 97 O SER A 29 3.511 18.444 -7.269 1.00 0.00 O ATOM 98 CB SER A 29 3.880 15.454 -8.346 1.00 0.00 C ATOM 99 OG SER A 29 5.295 15.619 -8.305 1.00 0.00 O ATOM 0 H SER A 29 1.728 14.598 -7.398 1.00 0.00 H new ATOM 0 HA SER A 29 3.918 16.092 -6.309 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.640 14.392 -8.400 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.487 15.915 -9.252 1.00 0.00 H new ATOM 0 HG SER A 29 5.695 15.212 -9.101 1.00 0.00 H new ATOM 105 N GLU A 30 1.497 17.608 -7.869 1.00 0.00 N ATOM 106 CA GLU A 30 0.933 18.906 -8.200 1.00 0.00 C ATOM 107 C GLU A 30 1.178 19.898 -7.061 1.00 0.00 C ATOM 108 O GLU A 30 1.681 20.997 -7.288 1.00 0.00 O ATOM 109 CB GLU A 30 -0.559 18.790 -8.515 1.00 0.00 C ATOM 110 CG GLU A 30 -0.785 18.495 -10.000 1.00 0.00 C ATOM 111 CD GLU A 30 -2.222 18.036 -10.255 1.00 0.00 C ATOM 112 OE1 GLU A 30 -3.024 18.893 -10.683 1.00 0.00 O ATOM 113 OE2 GLU A 30 -2.486 16.838 -10.015 1.00 0.00 O ATOM 0 H GLU A 30 0.862 16.821 -8.002 1.00 0.00 H new ATOM 0 HA GLU A 30 1.432 19.280 -9.094 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.001 17.997 -7.912 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.065 19.717 -8.244 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.575 19.388 -10.588 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.089 17.724 -10.331 1.00 0.00 H new ATOM 120 N GLN A 31 0.811 19.474 -5.861 1.00 0.00 N ATOM 121 CA GLN A 31 0.984 20.311 -4.686 1.00 0.00 C ATOM 122 C GLN A 31 2.193 19.841 -3.873 1.00 0.00 C ATOM 123 O GLN A 31 2.812 20.631 -3.163 1.00 0.00 O ATOM 124 CB GLN A 31 -0.283 20.321 -3.828 1.00 0.00 C ATOM 125 CG GLN A 31 -1.256 21.402 -4.301 1.00 0.00 C ATOM 126 CD GLN A 31 -1.289 22.577 -3.322 1.00 0.00 C ATOM 127 OE1 GLN A 31 -0.268 23.095 -2.899 1.00 0.00 O ATOM 128 NE2 GLN A 31 -2.515 22.968 -2.987 1.00 0.00 N ATOM 0 H GLN A 31 0.394 18.561 -5.677 1.00 0.00 H new ATOM 0 HA GLN A 31 1.167 21.333 -5.016 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.767 19.345 -3.876 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.019 20.495 -2.785 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.960 21.755 -5.289 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.255 20.978 -4.400 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.327 22.491 -3.378 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.643 23.745 -2.339 1.00 0.00 H new ATOM 137 N GLY A 32 2.492 18.557 -4.006 1.00 0.00 N ATOM 138 CA GLY A 32 3.615 17.973 -3.292 1.00 0.00 C ATOM 139 C GLY A 32 3.153 17.303 -1.997 1.00 0.00 C ATOM 140 O GLY A 32 3.960 17.045 -1.105 1.00 0.00 O ATOM 0 H GLY A 32 1.976 17.905 -4.597 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.113 17.240 -3.927 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.348 18.747 -3.064 1.00 0.00 H new ATOM 144 N VAL A 33 1.856 17.040 -1.934 1.00 0.00 N ATOM 145 CA VAL A 33 1.277 16.404 -0.763 1.00 0.00 C ATOM 146 C VAL A 33 1.119 14.905 -1.027 1.00 0.00 C ATOM 147 O VAL A 33 1.000 14.483 -2.175 1.00 0.00 O ATOM 148 CB VAL A 33 -0.041 17.088 -0.394 1.00 0.00 C ATOM 149 CG1 VAL A 33 -0.732 16.360 0.761 1.00 0.00 C ATOM 150 CG2 VAL A 33 0.183 18.564 -0.057 1.00 0.00 C ATOM 0 H VAL A 33 1.189 17.256 -2.675 1.00 0.00 H new ATOM 0 HA VAL A 33 1.937 16.515 0.097 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.699 17.039 -1.262 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.666 16.867 1.003 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.942 15.331 0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.080 16.363 1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.769 19.027 0.202 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.867 18.645 0.788 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.611 19.073 -0.920 1.00 0.00 H new ATOM 160 N CYS A 34 1.124 14.143 0.057 1.00 0.00 N ATOM 161 CA CYS A 34 0.983 12.700 -0.043 1.00 0.00 C ATOM 162 C CYS A 34 -0.245 12.280 0.767 1.00 0.00 C ATOM 163 O CYS A 34 -0.507 12.831 1.835 1.00 0.00 O ATOM 164 CB CYS A 34 2.248 11.975 0.421 1.00 0.00 C ATOM 165 SG CYS A 34 2.967 12.834 1.868 1.00 0.00 S ATOM 0 H CYS A 34 1.223 14.497 1.008 1.00 0.00 H new ATOM 0 HA CYS A 34 0.843 12.417 -1.086 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.011 10.943 0.681 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.975 11.940 -0.390 1.00 0.00 H new ATOM 0 HG CYS A 34 2.496 14.044 1.932 1.00 0.00 H new ATOM 171 N SER A 35 -0.967 11.309 0.227 1.00 0.00 N ATOM 172 CA SER A 35 -2.161 10.809 0.886 1.00 0.00 C ATOM 173 C SER A 35 -2.322 9.312 0.613 1.00 0.00 C ATOM 174 O SER A 35 -2.237 8.874 -0.534 1.00 0.00 O ATOM 175 CB SER A 35 -3.405 11.570 0.423 1.00 0.00 C ATOM 176 OG SER A 35 -3.469 12.879 0.982 1.00 0.00 O ATOM 0 H SER A 35 -0.748 10.855 -0.660 1.00 0.00 H new ATOM 0 HA SER A 35 -2.050 10.966 1.959 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.403 11.640 -0.665 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.298 11.011 0.705 1.00 0.00 H new ATOM 0 HG SER A 35 -4.089 12.881 1.741 1.00 0.00 H new ATOM 182 N VAL A 36 -2.552 8.569 1.685 1.00 0.00 N ATOM 183 CA VAL A 36 -2.725 7.130 1.575 1.00 0.00 C ATOM 184 C VAL A 36 -4.218 6.796 1.619 1.00 0.00 C ATOM 185 O VAL A 36 -4.999 7.509 2.247 1.00 0.00 O ATOM 186 CB VAL A 36 -1.921 6.421 2.667 1.00 0.00 C ATOM 187 CG1 VAL A 36 -2.422 6.814 4.058 1.00 0.00 C ATOM 188 CG2 VAL A 36 -1.960 4.903 2.478 1.00 0.00 C ATOM 0 H VAL A 36 -2.623 8.936 2.634 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.339 6.770 0.621 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.883 6.742 2.582 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.834 6.297 4.816 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.319 7.891 4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.471 6.535 4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.381 4.423 3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.993 4.557 2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.534 4.646 1.508 1.00 0.00 H new ATOM 198 N GLU A 37 -4.569 5.712 0.944 1.00 0.00 N ATOM 199 CA GLU A 37 -5.954 5.274 0.899 1.00 0.00 C ATOM 200 C GLU A 37 -6.123 3.965 1.672 1.00 0.00 C ATOM 201 O GLU A 37 -5.361 3.020 1.473 1.00 0.00 O ATOM 202 CB GLU A 37 -6.434 5.124 -0.546 1.00 0.00 C ATOM 203 CG GLU A 37 -6.576 6.489 -1.222 1.00 0.00 C ATOM 204 CD GLU A 37 -6.075 6.441 -2.667 1.00 0.00 C ATOM 205 OE1 GLU A 37 -6.710 5.717 -3.464 1.00 0.00 O ATOM 206 OE2 GLU A 37 -5.068 7.128 -2.942 1.00 0.00 O ATOM 0 H GLU A 37 -3.918 5.124 0.423 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.571 6.036 1.375 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.729 4.509 -1.105 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.392 4.605 -0.562 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.621 6.800 -1.206 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.013 7.236 -0.663 1.00 0.00 H new ATOM 213 N ILE A 38 -7.126 3.951 2.537 1.00 0.00 N ATOM 214 CA ILE A 38 -7.405 2.773 3.341 1.00 0.00 C ATOM 215 C ILE A 38 -8.908 2.689 3.611 1.00 0.00 C ATOM 216 O ILE A 38 -9.386 3.172 4.636 1.00 0.00 O ATOM 217 CB ILE A 38 -6.551 2.777 4.611 1.00 0.00 C ATOM 218 CG1 ILE A 38 -6.173 4.204 5.013 1.00 0.00 C ATOM 219 CG2 ILE A 38 -5.321 1.882 4.447 1.00 0.00 C ATOM 220 CD1 ILE A 38 -6.108 4.346 6.535 1.00 0.00 C ATOM 0 H ILE A 38 -7.756 4.737 2.699 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.127 1.868 2.800 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.146 2.361 5.424 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.208 4.464 4.578 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.904 4.905 4.610 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.731 1.903 5.363 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.639 0.860 4.243 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.715 2.245 3.617 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.837 5.370 6.794 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -7.081 4.108 6.964 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.359 3.661 6.933 1.00 0.00 H new ATOM 232 N GLU A 39 -9.612 2.073 2.673 1.00 0.00 N ATOM 233 CA GLU A 39 -11.052 1.919 2.796 1.00 0.00 C ATOM 234 C GLU A 39 -11.743 3.279 2.674 1.00 0.00 C ATOM 235 O GLU A 39 -12.519 3.503 1.747 1.00 0.00 O ATOM 236 CB GLU A 39 -11.419 1.234 4.114 1.00 0.00 C ATOM 237 CG GLU A 39 -10.703 -0.111 4.251 1.00 0.00 C ATOM 238 CD GLU A 39 -11.676 -1.273 4.042 1.00 0.00 C ATOM 239 OE1 GLU A 39 -12.745 -1.242 4.689 1.00 0.00 O ATOM 240 OE2 GLU A 39 -11.329 -2.167 3.240 1.00 0.00 O ATOM 0 H GLU A 39 -9.212 1.674 1.824 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.401 1.282 1.984 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -11.151 1.880 4.950 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.497 1.082 4.161 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.895 -0.173 3.522 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.248 -0.186 5.239 1.00 0.00 H new ATOM 247 N GLY A 40 -11.436 4.151 3.623 1.00 0.00 N ATOM 248 CA GLY A 40 -12.018 5.482 3.634 1.00 0.00 C ATOM 249 C GLY A 40 -10.928 6.556 3.652 1.00 0.00 C ATOM 250 O GLY A 40 -10.742 7.239 4.658 1.00 0.00 O ATOM 0 H GLY A 40 -10.791 3.961 4.390 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.649 5.614 2.755 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.660 5.595 4.508 1.00 0.00 H new ATOM 254 N SER A 41 -10.238 6.673 2.528 1.00 0.00 N ATOM 255 CA SER A 41 -9.172 7.653 2.402 1.00 0.00 C ATOM 256 C SER A 41 -9.560 8.943 3.126 1.00 0.00 C ATOM 257 O SER A 41 -10.628 9.501 2.879 1.00 0.00 O ATOM 258 CB SER A 41 -8.860 7.942 0.932 1.00 0.00 C ATOM 259 OG SER A 41 -9.838 8.789 0.336 1.00 0.00 O ATOM 0 H SER A 41 -10.396 6.105 1.695 1.00 0.00 H new ATOM 0 HA SER A 41 -8.273 7.242 2.862 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.879 8.411 0.855 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.809 7.003 0.381 1.00 0.00 H new ATOM 0 HG SER A 41 -10.351 9.241 1.038 1.00 0.00 H new ATOM 265 N ARG A 42 -8.671 9.381 4.006 1.00 0.00 N ATOM 266 CA ARG A 42 -8.907 10.595 4.767 1.00 0.00 C ATOM 267 C ARG A 42 -7.615 11.057 5.444 1.00 0.00 C ATOM 268 O ARG A 42 -7.610 11.369 6.634 1.00 0.00 O ATOM 269 CB ARG A 42 -9.983 10.377 5.833 1.00 0.00 C ATOM 270 CG ARG A 42 -9.645 9.173 6.715 1.00 0.00 C ATOM 271 CD ARG A 42 -10.841 8.776 7.582 1.00 0.00 C ATOM 272 NE ARG A 42 -11.080 7.320 7.478 1.00 0.00 N ATOM 273 CZ ARG A 42 -12.100 6.682 8.068 1.00 0.00 C ATOM 274 NH1 ARG A 42 -12.982 7.368 8.808 1.00 0.00 N ATOM 275 NH2 ARG A 42 -12.239 5.357 7.919 1.00 0.00 N ATOM 0 H ARG A 42 -7.786 8.916 4.208 1.00 0.00 H new ATOM 0 HA ARG A 42 -9.251 11.360 4.071 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.074 11.270 6.451 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.949 10.221 5.353 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.349 8.331 6.089 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.793 9.412 7.352 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.654 9.049 8.621 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.729 9.322 7.264 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.427 6.767 6.922 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.877 8.376 8.922 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.758 6.882 9.257 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.568 4.834 7.356 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.016 4.872 8.368 1.00 0.00 H new ATOM 289 N HIS A 43 -6.549 11.086 4.657 1.00 0.00 N ATOM 290 CA HIS A 43 -5.254 11.504 5.165 1.00 0.00 C ATOM 291 C HIS A 43 -4.730 12.675 4.332 1.00 0.00 C ATOM 292 O HIS A 43 -5.327 13.038 3.320 1.00 0.00 O ATOM 293 CB HIS A 43 -4.281 10.324 5.208 1.00 0.00 C ATOM 294 CG HIS A 43 -4.613 9.291 6.258 1.00 0.00 C ATOM 295 ND1 HIS A 43 -4.456 9.522 7.613 1.00 0.00 N ATOM 296 CD2 HIS A 43 -5.097 8.022 6.137 1.00 0.00 C ATOM 297 CE1 HIS A 43 -4.830 8.433 8.269 1.00 0.00 C ATOM 298 NE2 HIS A 43 -5.227 7.505 7.353 1.00 0.00 N ATOM 0 H HIS A 43 -6.556 10.827 3.671 1.00 0.00 H new ATOM 0 HA HIS A 43 -5.357 11.852 6.193 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.268 9.842 4.230 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -3.275 10.702 5.391 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.111 10.384 8.035 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.334 7.522 5.209 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -4.822 8.304 9.341 1.00 0.00 H new ATOM 306 N ARG A 44 -3.619 13.234 4.789 1.00 0.00 N ATOM 307 CA ARG A 44 -3.007 14.357 4.099 1.00 0.00 C ATOM 308 C ARG A 44 -1.732 14.795 4.823 1.00 0.00 C ATOM 309 O ARG A 44 -1.769 15.121 6.009 1.00 0.00 O ATOM 310 CB ARG A 44 -3.970 15.543 4.015 1.00 0.00 C ATOM 311 CG ARG A 44 -3.732 16.353 2.739 1.00 0.00 C ATOM 312 CD ARG A 44 -4.977 17.157 2.359 1.00 0.00 C ATOM 313 NE ARG A 44 -4.672 18.605 2.382 1.00 0.00 N ATOM 314 CZ ARG A 44 -5.577 19.567 2.161 1.00 0.00 C ATOM 315 NH1 ARG A 44 -6.851 19.242 1.899 1.00 0.00 N ATOM 316 NH2 ARG A 44 -5.210 20.855 2.202 1.00 0.00 N ATOM 0 H ARG A 44 -3.127 12.930 5.629 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.761 14.030 3.089 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.999 15.183 4.035 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.840 16.184 4.887 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.889 17.029 2.885 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.465 15.682 1.923 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.319 16.865 1.366 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.788 16.937 3.053 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.712 18.888 2.579 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.131 18.262 1.868 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.540 19.975 1.731 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.241 21.103 2.402 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.900 21.587 2.034 1.00 0.00 H new ATOM 330 N ALA A 45 -0.635 14.787 4.080 1.00 0.00 N ATOM 331 CA ALA A 45 0.648 15.179 4.637 1.00 0.00 C ATOM 332 C ALA A 45 1.624 15.477 3.497 1.00 0.00 C ATOM 333 O ALA A 45 1.384 15.092 2.353 1.00 0.00 O ATOM 334 CB ALA A 45 1.158 14.079 5.569 1.00 0.00 C ATOM 0 H ALA A 45 -0.608 14.515 3.097 1.00 0.00 H new ATOM 0 HA ALA A 45 0.547 16.088 5.231 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.121 14.373 5.987 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.443 13.927 6.377 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.274 13.152 5.008 1.00 0.00 H new ATOM 340 N PRO A 46 2.733 16.177 3.857 1.00 0.00 N ATOM 341 CA PRO A 46 3.746 16.531 2.877 1.00 0.00 C ATOM 342 C PRO A 46 4.594 15.314 2.503 1.00 0.00 C ATOM 343 O PRO A 46 4.786 14.412 3.317 1.00 0.00 O ATOM 344 CB PRO A 46 4.554 17.640 3.530 1.00 0.00 C ATOM 345 CG PRO A 46 4.262 17.548 5.019 1.00 0.00 C ATOM 346 CD PRO A 46 3.050 16.650 5.202 1.00 0.00 C ATOM 0 HA PRO A 46 3.319 16.871 1.933 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.619 17.516 3.333 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.269 18.615 3.136 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.122 17.142 5.552 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.069 18.538 5.432 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.270 15.819 5.872 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.214 17.197 5.637 1.00 0.00 H new ATOM 354 N VAL A 47 5.080 15.328 1.270 1.00 0.00 N ATOM 355 CA VAL A 47 5.903 14.237 0.778 1.00 0.00 C ATOM 356 C VAL A 47 7.316 14.371 1.350 1.00 0.00 C ATOM 357 O VAL A 47 8.013 13.374 1.531 1.00 0.00 O ATOM 358 CB VAL A 47 5.878 14.211 -0.752 1.00 0.00 C ATOM 359 CG1 VAL A 47 7.169 13.611 -1.312 1.00 0.00 C ATOM 360 CG2 VAL A 47 4.653 13.454 -1.268 1.00 0.00 C ATOM 0 H VAL A 47 4.919 16.078 0.598 1.00 0.00 H new ATOM 0 HA VAL A 47 5.506 13.279 1.113 1.00 0.00 H new ATOM 0 HB VAL A 47 5.808 15.241 -1.103 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.125 13.604 -2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.020 14.210 -0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.284 12.590 -0.947 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.660 13.451 -2.358 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.679 12.428 -0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.746 13.944 -0.912 1.00 0.00 H new ATOM 370 N ASP A 48 7.695 15.612 1.619 1.00 0.00 N ATOM 371 CA ASP A 48 9.012 15.889 2.167 1.00 0.00 C ATOM 372 C ASP A 48 9.052 15.451 3.633 1.00 0.00 C ATOM 373 O ASP A 48 10.101 15.507 4.272 1.00 0.00 O ATOM 374 CB ASP A 48 9.328 17.385 2.112 1.00 0.00 C ATOM 375 CG ASP A 48 8.448 18.265 3.002 1.00 0.00 C ATOM 376 OD1 ASP A 48 8.498 19.499 2.807 1.00 0.00 O ATOM 377 OD2 ASP A 48 7.746 17.684 3.858 1.00 0.00 O ATOM 0 H ASP A 48 7.114 16.436 1.468 1.00 0.00 H new ATOM 0 HA ASP A 48 9.746 15.343 1.574 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.370 17.532 2.398 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.230 17.724 1.081 1.00 0.00 H new ATOM 382 N SER A 49 7.897 15.026 4.122 1.00 0.00 N ATOM 383 CA SER A 49 7.786 14.579 5.500 1.00 0.00 C ATOM 384 C SER A 49 7.408 13.098 5.541 1.00 0.00 C ATOM 385 O SER A 49 6.715 12.655 6.456 1.00 0.00 O ATOM 386 CB SER A 49 6.757 15.411 6.269 1.00 0.00 C ATOM 387 OG SER A 49 6.710 15.060 7.649 1.00 0.00 O ATOM 0 H SER A 49 7.029 14.982 3.588 1.00 0.00 H new ATOM 0 HA SER A 49 8.755 14.714 5.982 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.001 16.469 6.172 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.772 15.269 5.825 1.00 0.00 H new ATOM 0 HG SER A 49 6.709 14.084 7.738 1.00 0.00 H new ATOM 393 N LEU A 50 7.880 12.371 4.539 1.00 0.00 N ATOM 394 CA LEU A 50 7.600 10.948 4.449 1.00 0.00 C ATOM 395 C LEU A 50 8.814 10.162 4.948 1.00 0.00 C ATOM 396 O LEU A 50 9.877 10.734 5.178 1.00 0.00 O ATOM 397 CB LEU A 50 7.168 10.576 3.029 1.00 0.00 C ATOM 398 CG LEU A 50 5.752 10.994 2.628 1.00 0.00 C ATOM 399 CD1 LEU A 50 5.458 10.612 1.176 1.00 0.00 C ATOM 400 CD2 LEU A 50 4.715 10.415 3.593 1.00 0.00 C ATOM 0 H LEU A 50 8.455 12.741 3.782 1.00 0.00 H new ATOM 0 HA LEU A 50 6.761 10.683 5.092 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.871 11.025 2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.252 9.495 2.916 1.00 0.00 H new ATOM 0 HG LEU A 50 5.685 12.080 2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.445 10.920 0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.169 11.111 0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.550 9.532 1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.717 10.727 3.285 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.774 9.327 3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.914 10.778 4.601 1.00 0.00 H new ATOM 412 N ARG A 51 8.613 8.861 5.102 1.00 0.00 N ATOM 413 CA ARG A 51 9.678 7.990 5.570 1.00 0.00 C ATOM 414 C ARG A 51 9.352 6.531 5.242 1.00 0.00 C ATOM 415 O ARG A 51 8.226 6.081 5.448 1.00 0.00 O ATOM 416 CB ARG A 51 9.883 8.133 7.079 1.00 0.00 C ATOM 417 CG ARG A 51 10.990 7.199 7.573 1.00 0.00 C ATOM 418 CD ARG A 51 12.341 7.916 7.601 1.00 0.00 C ATOM 419 NE ARG A 51 12.932 7.830 8.955 1.00 0.00 N ATOM 420 CZ ARG A 51 12.596 8.632 9.974 1.00 0.00 C ATOM 421 NH1 ARG A 51 11.671 9.586 9.799 1.00 0.00 N ATOM 422 NH2 ARG A 51 13.184 8.481 11.169 1.00 0.00 N ATOM 0 H ARG A 51 7.729 8.389 4.911 1.00 0.00 H new ATOM 0 HA ARG A 51 10.596 8.284 5.061 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.139 9.165 7.319 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.952 7.907 7.599 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.746 6.837 8.572 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.051 6.326 6.923 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.015 7.467 6.872 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.214 8.960 7.317 1.00 0.00 H new ATOM 0 HE ARG A 51 13.640 7.115 9.123 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.223 9.701 8.890 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.415 10.197 10.575 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.888 7.755 11.303 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.928 9.092 11.944 1.00 0.00 H new ATOM 436 N ILE A 52 10.359 5.832 4.738 1.00 0.00 N ATOM 437 CA ILE A 52 10.194 4.433 4.381 1.00 0.00 C ATOM 438 C ILE A 52 10.901 3.559 5.418 1.00 0.00 C ATOM 439 O ILE A 52 12.004 3.881 5.858 1.00 0.00 O ATOM 440 CB ILE A 52 10.665 4.188 2.946 1.00 0.00 C ATOM 441 CG1 ILE A 52 9.874 5.045 1.955 1.00 0.00 C ATOM 442 CG2 ILE A 52 10.601 2.700 2.595 1.00 0.00 C ATOM 443 CD1 ILE A 52 9.896 4.427 0.556 1.00 0.00 C ATOM 0 H ILE A 52 11.292 6.208 4.569 1.00 0.00 H new ATOM 0 HA ILE A 52 9.140 4.157 4.398 1.00 0.00 H new ATOM 0 HB ILE A 52 11.709 4.492 2.873 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.844 5.144 2.296 1.00 0.00 H new ATOM 0 HG13 ILE A 52 10.296 6.049 1.919 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.941 2.553 1.570 1.00 0.00 H new ATOM 0 HG22 ILE A 52 11.242 2.138 3.274 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.574 2.347 2.691 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.327 5.056 -0.129 1.00 0.00 H new ATOM 0 HD12 ILE A 52 10.926 4.352 0.208 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.451 3.433 0.590 1.00 0.00 H new ATOM 455 N GLY A 53 10.238 2.471 5.779 1.00 0.00 N ATOM 456 CA GLY A 53 10.789 1.548 6.757 1.00 0.00 C ATOM 457 C GLY A 53 10.531 0.097 6.347 1.00 0.00 C ATOM 458 O GLY A 53 9.907 -0.160 5.319 1.00 0.00 O ATOM 0 H GLY A 53 9.324 2.207 5.412 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.861 1.716 6.857 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.344 1.738 7.733 1.00 0.00 H new ATOM 462 N THR A 54 11.025 -0.814 7.173 1.00 0.00 N ATOM 463 CA THR A 54 10.856 -2.233 6.909 1.00 0.00 C ATOM 464 C THR A 54 10.160 -2.915 8.089 1.00 0.00 C ATOM 465 O THR A 54 10.404 -2.568 9.243 1.00 0.00 O ATOM 466 CB THR A 54 12.232 -2.822 6.592 1.00 0.00 C ATOM 467 OG1 THR A 54 12.677 -2.076 5.463 1.00 0.00 O ATOM 468 CG2 THR A 54 12.149 -4.261 6.078 1.00 0.00 C ATOM 0 H THR A 54 11.542 -0.597 8.025 1.00 0.00 H new ATOM 0 HA THR A 54 10.209 -2.401 6.048 1.00 0.00 H new ATOM 0 HB THR A 54 12.854 -2.791 7.486 1.00 0.00 H new ATOM 0 HG1 THR A 54 13.088 -1.239 5.765 1.00 0.00 H new ATOM 0 HG21 THR A 54 13.153 -4.631 5.868 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.681 -4.891 6.834 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.554 -4.287 5.165 1.00 0.00 H new ATOM 476 N ASP A 55 9.309 -3.875 7.758 1.00 0.00 N ATOM 477 CA ASP A 55 8.576 -4.609 8.775 1.00 0.00 C ATOM 478 C ASP A 55 9.135 -6.030 8.875 1.00 0.00 C ATOM 479 O ASP A 55 8.815 -6.886 8.052 1.00 0.00 O ATOM 480 CB ASP A 55 7.091 -4.710 8.420 1.00 0.00 C ATOM 481 CG ASP A 55 6.131 -4.263 9.524 1.00 0.00 C ATOM 482 OD1 ASP A 55 4.956 -4.684 9.459 1.00 0.00 O ATOM 483 OD2 ASP A 55 6.593 -3.510 10.408 1.00 0.00 O ATOM 0 H ASP A 55 9.111 -4.161 6.799 1.00 0.00 H new ATOM 0 HA ASP A 55 8.686 -4.076 9.719 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.904 -4.108 7.531 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.865 -5.744 8.159 1.00 0.00 H new ATOM 488 N ALA A 56 9.962 -6.236 9.889 1.00 0.00 N ATOM 489 CA ALA A 56 10.569 -7.538 10.107 1.00 0.00 C ATOM 490 C ALA A 56 9.474 -8.562 10.411 1.00 0.00 C ATOM 491 O ALA A 56 9.722 -9.767 10.391 1.00 0.00 O ATOM 492 CB ALA A 56 11.603 -7.438 11.231 1.00 0.00 C ATOM 0 H ALA A 56 10.226 -5.523 10.569 1.00 0.00 H new ATOM 0 HA ALA A 56 11.093 -7.872 9.211 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.058 -8.415 11.395 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.374 -6.720 10.953 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.114 -7.108 12.147 1.00 0.00 H new ATOM 498 N GLU A 57 8.285 -8.046 10.686 1.00 0.00 N ATOM 499 CA GLU A 57 7.151 -8.900 10.994 1.00 0.00 C ATOM 500 C GLU A 57 6.872 -9.853 9.830 1.00 0.00 C ATOM 501 O GLU A 57 6.584 -11.030 10.042 1.00 0.00 O ATOM 502 CB GLU A 57 5.912 -8.067 11.330 1.00 0.00 C ATOM 503 CG GLU A 57 5.263 -8.548 12.629 1.00 0.00 C ATOM 504 CD GLU A 57 4.618 -9.923 12.443 1.00 0.00 C ATOM 505 OE1 GLU A 57 3.970 -10.108 11.391 1.00 0.00 O ATOM 506 OE2 GLU A 57 4.788 -10.758 13.358 1.00 0.00 O ATOM 0 H GLU A 57 8.083 -7.046 10.702 1.00 0.00 H new ATOM 0 HA GLU A 57 7.398 -9.495 11.873 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.190 -7.017 11.425 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.193 -8.133 10.514 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.013 -8.598 13.418 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.509 -7.829 12.951 1.00 0.00 H new ATOM 513 N ALA A 58 6.969 -9.309 8.626 1.00 0.00 N ATOM 514 CA ALA A 58 6.731 -10.096 7.428 1.00 0.00 C ATOM 515 C ALA A 58 7.848 -9.828 6.417 1.00 0.00 C ATOM 516 O ALA A 58 7.764 -10.256 5.267 1.00 0.00 O ATOM 517 CB ALA A 58 5.346 -9.767 6.867 1.00 0.00 C ATOM 0 H ALA A 58 7.209 -8.333 8.454 1.00 0.00 H new ATOM 0 HA ALA A 58 6.744 -11.161 7.660 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.168 -10.358 5.968 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.586 -10.002 7.612 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.296 -8.707 6.620 1.00 0.00 H new ATOM 523 N ARG A 59 8.867 -9.122 6.883 1.00 0.00 N ATOM 524 CA ARG A 59 9.999 -8.792 6.033 1.00 0.00 C ATOM 525 C ARG A 59 9.527 -8.042 4.786 1.00 0.00 C ATOM 526 O ARG A 59 9.882 -8.406 3.667 1.00 0.00 O ATOM 527 CB ARG A 59 10.753 -10.053 5.607 1.00 0.00 C ATOM 528 CG ARG A 59 11.425 -10.723 6.807 1.00 0.00 C ATOM 529 CD ARG A 59 12.416 -11.796 6.352 1.00 0.00 C ATOM 530 NE ARG A 59 11.912 -13.138 6.719 1.00 0.00 N ATOM 531 CZ ARG A 59 12.288 -14.273 6.113 1.00 0.00 C ATOM 532 NH1 ARG A 59 13.173 -14.235 5.108 1.00 0.00 N ATOM 533 NH2 ARG A 59 11.778 -15.446 6.513 1.00 0.00 N ATOM 0 H ARG A 59 8.933 -8.769 7.838 1.00 0.00 H new ATOM 0 HA ARG A 59 10.672 -8.157 6.609 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.062 -10.752 5.136 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.505 -9.796 4.861 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.944 -9.973 7.403 1.00 0.00 H new ATOM 0 HG3 ARG A 59 10.667 -11.172 7.449 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.561 -11.735 5.273 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.388 -11.625 6.814 1.00 0.00 H new ATOM 0 HE ARG A 59 11.236 -13.203 7.480 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.561 -13.342 4.804 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.459 -15.099 4.647 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.104 -15.475 7.278 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.064 -16.310 6.052 1.00 0.00 H new ATOM 547 N LEU A 60 8.732 -7.008 5.022 1.00 0.00 N ATOM 548 CA LEU A 60 8.207 -6.204 3.932 1.00 0.00 C ATOM 549 C LEU A 60 8.414 -4.722 4.251 1.00 0.00 C ATOM 550 O LEU A 60 8.637 -4.357 5.405 1.00 0.00 O ATOM 551 CB LEU A 60 6.750 -6.574 3.647 1.00 0.00 C ATOM 552 CG LEU A 60 6.494 -8.026 3.240 1.00 0.00 C ATOM 553 CD1 LEU A 60 4.994 -8.306 3.124 1.00 0.00 C ATOM 554 CD2 LEU A 60 7.244 -8.376 1.954 1.00 0.00 C ATOM 0 H LEU A 60 8.439 -6.709 5.952 1.00 0.00 H new ATOM 0 HA LEU A 60 8.751 -6.411 3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.160 -6.358 4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.379 -5.924 2.854 1.00 0.00 H new ATOM 0 HG LEU A 60 6.883 -8.674 4.025 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.839 -9.345 2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.514 -8.123 4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.559 -7.650 2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.044 -9.414 1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.909 -7.723 1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.314 -8.241 2.109 1.00 0.00 H new ATOM 566 N SER A 61 8.334 -3.908 3.209 1.00 0.00 N ATOM 567 CA SER A 61 8.511 -2.474 3.364 1.00 0.00 C ATOM 568 C SER A 61 7.231 -1.847 3.921 1.00 0.00 C ATOM 569 O SER A 61 6.128 -2.256 3.562 1.00 0.00 O ATOM 570 CB SER A 61 8.888 -1.819 2.034 1.00 0.00 C ATOM 571 OG SER A 61 9.881 -2.563 1.335 1.00 0.00 O ATOM 0 H SER A 61 8.149 -4.214 2.254 1.00 0.00 H new ATOM 0 HA SER A 61 9.327 -2.303 4.066 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.999 -1.726 1.411 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.255 -0.809 2.218 1.00 0.00 H new ATOM 0 HG SER A 61 10.093 -2.113 0.491 1.00 0.00 H new ATOM 577 N VAL A 62 7.421 -0.864 4.789 1.00 0.00 N ATOM 578 CA VAL A 62 6.296 -0.176 5.399 1.00 0.00 C ATOM 579 C VAL A 62 6.375 1.315 5.067 1.00 0.00 C ATOM 580 O VAL A 62 7.360 1.776 4.492 1.00 0.00 O ATOM 581 CB VAL A 62 6.267 -0.453 6.903 1.00 0.00 C ATOM 582 CG1 VAL A 62 5.609 -1.803 7.200 1.00 0.00 C ATOM 583 CG2 VAL A 62 7.673 -0.386 7.501 1.00 0.00 C ATOM 0 H VAL A 62 8.338 -0.528 5.084 1.00 0.00 H new ATOM 0 HA VAL A 62 5.355 -0.549 4.995 1.00 0.00 H new ATOM 0 HB VAL A 62 5.665 0.324 7.374 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.601 -1.975 8.276 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.585 -1.799 6.826 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.171 -2.598 6.709 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.623 -0.587 8.571 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.308 -1.131 7.021 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.091 0.607 7.337 1.00 0.00 H new ATOM 593 N LEU A 63 5.324 2.029 5.444 1.00 0.00 N ATOM 594 CA LEU A 63 5.261 3.459 5.193 1.00 0.00 C ATOM 595 C LEU A 63 5.018 4.193 6.513 1.00 0.00 C ATOM 596 O LEU A 63 4.235 3.738 7.346 1.00 0.00 O ATOM 597 CB LEU A 63 4.220 3.769 4.116 1.00 0.00 C ATOM 598 CG LEU A 63 3.591 5.163 4.173 1.00 0.00 C ATOM 599 CD1 LEU A 63 2.567 5.256 5.305 1.00 0.00 C ATOM 600 CD2 LEU A 63 4.666 6.246 4.281 1.00 0.00 C ATOM 0 H LEU A 63 4.509 1.644 5.921 1.00 0.00 H new ATOM 0 HA LEU A 63 6.211 3.819 4.797 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.688 3.643 3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.423 3.029 4.186 1.00 0.00 H new ATOM 0 HG LEU A 63 3.055 5.334 3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.135 6.257 5.324 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.777 4.523 5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.058 5.055 6.257 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.192 7.227 4.320 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.250 6.089 5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.323 6.195 3.413 1.00 0.00 H new ATOM 612 N TYR A 64 5.703 5.317 6.663 1.00 0.00 N ATOM 613 CA TYR A 64 5.571 6.119 7.868 1.00 0.00 C ATOM 614 C TYR A 64 5.067 7.525 7.538 1.00 0.00 C ATOM 615 O TYR A 64 5.753 8.292 6.863 1.00 0.00 O ATOM 616 CB TYR A 64 6.977 6.220 8.463 1.00 0.00 C ATOM 617 CG TYR A 64 7.270 5.182 9.549 1.00 0.00 C ATOM 618 CD1 TYR A 64 7.409 5.579 10.863 1.00 0.00 C ATOM 619 CD2 TYR A 64 7.394 3.850 9.213 1.00 0.00 C ATOM 620 CE1 TYR A 64 7.684 4.603 11.885 1.00 0.00 C ATOM 621 CE2 TYR A 64 7.670 2.873 10.235 1.00 0.00 C ATOM 622 CZ TYR A 64 7.801 3.298 11.521 1.00 0.00 C ATOM 623 OH TYR A 64 8.061 2.375 12.486 1.00 0.00 O ATOM 0 H TYR A 64 6.351 5.692 5.970 1.00 0.00 H new ATOM 0 HA TYR A 64 4.858 5.665 8.556 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.708 6.109 7.662 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.112 7.217 8.882 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.311 6.622 11.125 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.284 3.540 8.184 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.795 4.901 12.917 1.00 0.00 H new ATOM 0 HE2 TYR A 64 7.771 1.827 9.986 1.00 0.00 H new ATOM 0 HH TYR A 64 8.117 1.485 12.080 1.00 0.00 H new ATOM 633 N ILE A 65 3.873 7.822 8.029 1.00 0.00 N ATOM 634 CA ILE A 65 3.270 9.123 7.795 1.00 0.00 C ATOM 635 C ILE A 65 2.718 9.669 9.113 1.00 0.00 C ATOM 636 O ILE A 65 1.639 9.272 9.551 1.00 0.00 O ATOM 637 CB ILE A 65 2.225 9.036 6.680 1.00 0.00 C ATOM 638 CG1 ILE A 65 1.708 10.426 6.304 1.00 0.00 C ATOM 639 CG2 ILE A 65 1.089 8.087 7.067 1.00 0.00 C ATOM 640 CD1 ILE A 65 0.703 10.344 5.153 1.00 0.00 C ATOM 0 H ILE A 65 3.307 7.184 8.588 1.00 0.00 H new ATOM 0 HA ILE A 65 4.019 9.833 7.444 1.00 0.00 H new ATOM 0 HB ILE A 65 2.704 8.620 5.794 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.237 10.889 7.171 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.544 11.064 6.017 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.360 8.043 6.258 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.493 7.090 7.246 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.604 8.450 7.973 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.351 11.345 4.905 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.184 9.902 4.280 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.143 9.726 5.452 1.00 0.00 H new ATOM 652 N ASP A 66 3.484 10.571 9.710 1.00 0.00 N ATOM 653 CA ASP A 66 3.085 11.176 10.969 1.00 0.00 C ATOM 654 C ASP A 66 2.971 10.088 12.039 1.00 0.00 C ATOM 655 O ASP A 66 1.873 9.774 12.496 1.00 0.00 O ATOM 656 CB ASP A 66 1.722 11.860 10.845 1.00 0.00 C ATOM 657 CG ASP A 66 1.776 13.352 10.508 1.00 0.00 C ATOM 658 OD1 ASP A 66 2.512 13.692 9.556 1.00 0.00 O ATOM 659 OD2 ASP A 66 1.081 14.118 11.209 1.00 0.00 O ATOM 0 H ASP A 66 4.379 10.897 9.345 1.00 0.00 H new ATOM 0 HA ASP A 66 3.837 11.917 11.240 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.145 11.349 10.074 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.182 11.734 11.784 1.00 0.00 H new ATOM 664 N GLY A 67 4.121 9.543 12.408 1.00 0.00 N ATOM 665 CA GLY A 67 4.165 8.497 13.415 1.00 0.00 C ATOM 666 C GLY A 67 3.205 7.358 13.065 1.00 0.00 C ATOM 667 O GLY A 67 2.321 7.022 13.852 1.00 0.00 O ATOM 0 H GLY A 67 5.030 9.807 12.027 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.180 8.109 13.497 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.903 8.913 14.388 1.00 0.00 H new ATOM 671 N LYS A 68 3.411 6.795 11.883 1.00 0.00 N ATOM 672 CA LYS A 68 2.575 5.701 11.419 1.00 0.00 C ATOM 673 C LYS A 68 3.465 4.539 10.972 1.00 0.00 C ATOM 674 O LYS A 68 4.648 4.730 10.696 1.00 0.00 O ATOM 675 CB LYS A 68 1.608 6.187 10.337 1.00 0.00 C ATOM 676 CG LYS A 68 0.189 6.326 10.893 1.00 0.00 C ATOM 677 CD LYS A 68 -0.853 6.062 9.804 1.00 0.00 C ATOM 678 CE LYS A 68 -2.270 6.285 10.337 1.00 0.00 C ATOM 679 NZ LYS A 68 -3.114 5.097 10.079 1.00 0.00 N ATOM 0 H LYS A 68 4.145 7.076 11.233 1.00 0.00 H new ATOM 0 HA LYS A 68 1.949 5.330 12.230 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.945 7.147 9.947 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.608 5.486 9.502 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.046 5.625 11.716 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.050 7.328 11.300 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.672 6.721 8.955 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.754 5.039 9.441 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.234 6.488 11.407 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.710 7.161 9.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.072 5.265 10.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.162 4.921 9.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.702 4.268 10.553 1.00 0.00 H new ATOM 693 N ARG A 69 2.861 3.362 10.915 1.00 0.00 N ATOM 694 CA ARG A 69 3.583 2.169 10.506 1.00 0.00 C ATOM 695 C ARG A 69 2.628 1.166 9.857 1.00 0.00 C ATOM 696 O ARG A 69 1.844 0.515 10.547 1.00 0.00 O ATOM 697 CB ARG A 69 4.274 1.507 11.700 1.00 0.00 C ATOM 698 CG ARG A 69 5.321 0.493 11.234 1.00 0.00 C ATOM 699 CD ARG A 69 4.678 -0.863 10.940 1.00 0.00 C ATOM 700 NE ARG A 69 5.087 -1.851 11.963 1.00 0.00 N ATOM 701 CZ ARG A 69 4.564 -3.079 12.074 1.00 0.00 C ATOM 702 NH1 ARG A 69 3.607 -3.479 11.225 1.00 0.00 N ATOM 703 NH2 ARG A 69 4.996 -3.908 13.034 1.00 0.00 N ATOM 0 H ARG A 69 1.879 3.208 11.145 1.00 0.00 H new ATOM 0 HA ARG A 69 4.341 2.472 9.784 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.750 2.269 12.318 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.532 1.009 12.324 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.819 0.865 10.339 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.087 0.378 12.001 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.592 -0.765 10.931 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.975 -1.208 9.950 1.00 0.00 H new ATOM 0 HE ARG A 69 5.813 -1.580 12.626 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.277 -2.848 10.494 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.209 -4.414 11.309 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.724 -3.604 13.681 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.597 -4.843 13.118 1.00 0.00 H new ATOM 717 N LEU A 70 2.724 1.072 8.539 1.00 0.00 N ATOM 718 CA LEU A 70 1.878 0.158 7.790 1.00 0.00 C ATOM 719 C LEU A 70 2.659 -0.390 6.595 1.00 0.00 C ATOM 720 O LEU A 70 3.762 0.071 6.305 1.00 0.00 O ATOM 721 CB LEU A 70 0.563 0.840 7.405 1.00 0.00 C ATOM 722 CG LEU A 70 0.527 1.495 6.023 1.00 0.00 C ATOM 723 CD1 LEU A 70 -0.449 0.767 5.097 1.00 0.00 C ATOM 724 CD2 LEU A 70 0.209 2.987 6.132 1.00 0.00 C ATOM 0 H LEU A 70 3.375 1.614 7.970 1.00 0.00 H new ATOM 0 HA LEU A 70 1.599 -0.696 8.407 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.236 0.100 7.455 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.339 1.602 8.152 1.00 0.00 H new ATOM 0 HG LEU A 70 1.518 1.409 5.578 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.456 1.253 4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.137 -0.271 4.984 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.451 0.800 5.526 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.189 3.429 5.136 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.764 3.118 6.606 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.974 3.479 6.732 1.00 0.00 H new ATOM 736 N HIS A 71 2.057 -1.367 5.932 1.00 0.00 N ATOM 737 CA HIS A 71 2.683 -1.983 4.775 1.00 0.00 C ATOM 738 C HIS A 71 2.042 -1.440 3.496 1.00 0.00 C ATOM 739 O HIS A 71 0.828 -1.525 3.321 1.00 0.00 O ATOM 740 CB HIS A 71 2.618 -3.508 4.870 1.00 0.00 C ATOM 741 CG HIS A 71 1.349 -4.031 5.499 1.00 0.00 C ATOM 742 ND1 HIS A 71 1.340 -5.057 6.428 1.00 0.00 N ATOM 743 CD2 HIS A 71 0.048 -3.659 5.324 1.00 0.00 C ATOM 744 CE1 HIS A 71 0.085 -5.284 6.789 1.00 0.00 C ATOM 745 NE2 HIS A 71 -0.714 -4.417 6.103 1.00 0.00 N ATOM 0 H HIS A 71 1.142 -1.747 6.175 1.00 0.00 H new ATOM 0 HA HIS A 71 3.741 -1.724 4.748 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.715 -3.929 3.869 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.471 -3.862 5.449 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.303 -2.880 4.663 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.247 -6.025 7.501 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -1.730 -4.360 6.177 1.00 0.00 H new ATOM 753 N ILE A 72 2.888 -0.895 2.634 1.00 0.00 N ATOM 754 CA ILE A 72 2.420 -0.339 1.375 1.00 0.00 C ATOM 755 C ILE A 72 3.058 -1.106 0.215 1.00 0.00 C ATOM 756 O ILE A 72 3.955 -1.921 0.424 1.00 0.00 O ATOM 757 CB ILE A 72 2.673 1.169 1.329 1.00 0.00 C ATOM 758 CG1 ILE A 72 4.170 1.476 1.399 1.00 0.00 C ATOM 759 CG2 ILE A 72 1.888 1.890 2.427 1.00 0.00 C ATOM 760 CD1 ILE A 72 4.530 2.656 0.494 1.00 0.00 C ATOM 0 H ILE A 72 3.895 -0.826 2.782 1.00 0.00 H new ATOM 0 HA ILE A 72 1.341 -0.461 1.282 1.00 0.00 H new ATOM 0 HB ILE A 72 2.311 1.547 0.373 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.451 1.703 2.428 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.740 0.596 1.100 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.085 2.961 2.372 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.822 1.710 2.290 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.197 1.513 3.402 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.600 2.854 0.562 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.270 2.416 -0.537 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.977 3.540 0.811 1.00 0.00 H new ATOM 772 N SER A 73 2.569 -0.818 -0.982 1.00 0.00 N ATOM 773 CA SER A 73 3.081 -1.470 -2.176 1.00 0.00 C ATOM 774 C SER A 73 4.543 -1.080 -2.399 1.00 0.00 C ATOM 775 O SER A 73 4.945 0.041 -2.091 1.00 0.00 O ATOM 776 CB SER A 73 2.242 -1.107 -3.403 1.00 0.00 C ATOM 777 OG SER A 73 1.668 -2.259 -4.016 1.00 0.00 O ATOM 0 H SER A 73 1.824 -0.142 -1.151 1.00 0.00 H new ATOM 0 HA SER A 73 3.018 -2.548 -2.031 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.449 -0.419 -3.110 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.866 -0.584 -4.127 1.00 0.00 H new ATOM 0 HG SER A 73 1.139 -1.986 -4.794 1.00 0.00 H new ATOM 783 N GLU A 74 5.300 -2.029 -2.932 1.00 0.00 N ATOM 784 CA GLU A 74 6.710 -1.799 -3.199 1.00 0.00 C ATOM 785 C GLU A 74 6.880 -0.659 -4.205 1.00 0.00 C ATOM 786 O GLU A 74 7.552 0.331 -3.919 1.00 0.00 O ATOM 787 CB GLU A 74 7.388 -3.076 -3.699 1.00 0.00 C ATOM 788 CG GLU A 74 8.309 -3.663 -2.627 1.00 0.00 C ATOM 789 CD GLU A 74 9.422 -4.501 -3.259 1.00 0.00 C ATOM 790 OE1 GLU A 74 10.563 -4.396 -2.760 1.00 0.00 O ATOM 791 OE2 GLU A 74 9.106 -5.227 -4.226 1.00 0.00 O ATOM 0 H GLU A 74 4.964 -2.958 -3.186 1.00 0.00 H new ATOM 0 HA GLU A 74 7.194 -1.510 -2.266 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.631 -3.810 -3.975 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.964 -2.858 -4.599 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.746 -2.857 -2.037 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.728 -4.281 -1.942 1.00 0.00 H new ATOM 798 N GLU A 75 6.260 -0.836 -5.363 1.00 0.00 N ATOM 799 CA GLU A 75 6.335 0.166 -6.413 1.00 0.00 C ATOM 800 C GLU A 75 5.899 1.531 -5.876 1.00 0.00 C ATOM 801 O GLU A 75 6.521 2.548 -6.178 1.00 0.00 O ATOM 802 CB GLU A 75 5.491 -0.243 -7.621 1.00 0.00 C ATOM 803 CG GLU A 75 4.017 -0.387 -7.238 1.00 0.00 C ATOM 804 CD GLU A 75 3.286 -1.318 -8.208 1.00 0.00 C ATOM 805 OE1 GLU A 75 2.776 -0.794 -9.221 1.00 0.00 O ATOM 806 OE2 GLU A 75 3.255 -2.532 -7.914 1.00 0.00 O ATOM 0 H GLU A 75 5.704 -1.658 -5.597 1.00 0.00 H new ATOM 0 HA GLU A 75 7.371 0.242 -6.744 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.594 0.502 -8.410 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.859 -1.187 -8.024 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.938 -0.778 -6.224 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.540 0.593 -7.240 1.00 0.00 H new ATOM 813 N ASP A 76 4.833 1.509 -5.089 1.00 0.00 N ATOM 814 CA ASP A 76 4.307 2.732 -4.507 1.00 0.00 C ATOM 815 C ASP A 76 5.345 3.326 -3.553 1.00 0.00 C ATOM 816 O ASP A 76 5.580 4.534 -3.559 1.00 0.00 O ATOM 817 CB ASP A 76 3.032 2.457 -3.706 1.00 0.00 C ATOM 818 CG ASP A 76 1.751 3.033 -4.313 1.00 0.00 C ATOM 819 OD1 ASP A 76 0.671 2.524 -3.944 1.00 0.00 O ATOM 820 OD2 ASP A 76 1.881 3.968 -5.132 1.00 0.00 O ATOM 0 H ASP A 76 4.319 0.663 -4.841 1.00 0.00 H new ATOM 0 HA ASP A 76 4.081 3.422 -5.320 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.913 1.379 -3.600 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.156 2.864 -2.703 1.00 0.00 H new ATOM 825 N ALA A 77 5.940 2.450 -2.757 1.00 0.00 N ATOM 826 CA ALA A 77 6.948 2.873 -1.799 1.00 0.00 C ATOM 827 C ALA A 77 8.115 3.521 -2.547 1.00 0.00 C ATOM 828 O ALA A 77 8.772 4.418 -2.021 1.00 0.00 O ATOM 829 CB ALA A 77 7.388 1.673 -0.958 1.00 0.00 C ATOM 0 H ALA A 77 5.744 1.449 -2.756 1.00 0.00 H new ATOM 0 HA ALA A 77 6.540 3.618 -1.115 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.144 1.990 -0.239 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.528 1.267 -0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.806 0.906 -1.610 1.00 0.00 H new ATOM 835 N GLN A 78 8.338 3.041 -3.762 1.00 0.00 N ATOM 836 CA GLN A 78 9.414 3.562 -4.587 1.00 0.00 C ATOM 837 C GLN A 78 9.024 4.922 -5.171 1.00 0.00 C ATOM 838 O GLN A 78 9.856 5.823 -5.263 1.00 0.00 O ATOM 839 CB GLN A 78 9.783 2.575 -5.695 1.00 0.00 C ATOM 840 CG GLN A 78 11.116 2.952 -6.344 1.00 0.00 C ATOM 841 CD GLN A 78 10.897 3.575 -7.724 1.00 0.00 C ATOM 842 OE1 GLN A 78 9.892 3.357 -8.380 1.00 0.00 O ATOM 843 NE2 GLN A 78 11.892 4.361 -8.127 1.00 0.00 N ATOM 0 H GLN A 78 7.791 2.297 -4.195 1.00 0.00 H new ATOM 0 HA GLN A 78 10.294 3.697 -3.959 1.00 0.00 H new ATOM 0 HB2 GLN A 78 9.847 1.568 -5.283 1.00 0.00 H new ATOM 0 HB3 GLN A 78 8.998 2.561 -6.451 1.00 0.00 H new ATOM 0 HG2 GLN A 78 11.650 3.655 -5.704 1.00 0.00 H new ATOM 0 HG3 GLN A 78 11.743 2.065 -6.437 1.00 0.00 H new ATOM 0 HE21 GLN A 78 12.706 4.501 -7.528 1.00 0.00 H new ATOM 0 HE22 GLN A 78 11.841 4.824 -9.035 1.00 0.00 H new ATOM 852 N ARG A 79 7.759 5.026 -5.551 1.00 0.00 N ATOM 853 CA ARG A 79 7.249 6.260 -6.124 1.00 0.00 C ATOM 854 C ARG A 79 7.260 7.376 -5.076 1.00 0.00 C ATOM 855 O ARG A 79 7.419 8.547 -5.414 1.00 0.00 O ATOM 856 CB ARG A 79 5.824 6.076 -6.648 1.00 0.00 C ATOM 857 CG ARG A 79 5.777 6.221 -8.171 1.00 0.00 C ATOM 858 CD ARG A 79 4.544 7.013 -8.608 1.00 0.00 C ATOM 859 NE ARG A 79 4.386 6.933 -10.078 1.00 0.00 N ATOM 860 CZ ARG A 79 4.017 5.824 -10.734 1.00 0.00 C ATOM 861 NH1 ARG A 79 3.766 4.696 -10.056 1.00 0.00 N ATOM 862 NH2 ARG A 79 3.899 5.844 -12.069 1.00 0.00 N ATOM 0 H ARG A 79 7.072 4.276 -5.473 1.00 0.00 H new ATOM 0 HA ARG A 79 7.898 6.532 -6.957 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.451 5.093 -6.361 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.166 6.813 -6.188 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.679 6.724 -8.520 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.763 5.234 -8.634 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.655 6.618 -8.116 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.642 8.054 -8.301 1.00 0.00 H new ATOM 0 HE ARG A 79 4.569 7.774 -10.625 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.856 4.681 -9.040 1.00 0.00 H new ATOM 0 HH12 ARG A 79 3.485 3.852 -10.556 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.090 6.703 -12.585 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.618 5.000 -12.569 1.00 0.00 H new ATOM 876 N LEU A 80 7.088 6.972 -3.826 1.00 0.00 N ATOM 877 CA LEU A 80 7.076 7.922 -2.728 1.00 0.00 C ATOM 878 C LEU A 80 8.444 8.600 -2.630 1.00 0.00 C ATOM 879 O LEU A 80 8.529 9.823 -2.526 1.00 0.00 O ATOM 880 CB LEU A 80 6.635 7.238 -1.432 1.00 0.00 C ATOM 881 CG LEU A 80 5.135 6.976 -1.289 1.00 0.00 C ATOM 882 CD1 LEU A 80 4.844 6.112 -0.060 1.00 0.00 C ATOM 883 CD2 LEU A 80 4.349 8.289 -1.266 1.00 0.00 C ATOM 0 H LEU A 80 6.956 5.999 -3.550 1.00 0.00 H new ATOM 0 HA LEU A 80 6.343 8.707 -2.913 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.159 6.286 -1.350 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.958 7.853 -0.592 1.00 0.00 H new ATOM 0 HG LEU A 80 4.801 6.416 -2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.770 5.941 0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.358 5.156 -0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.196 6.623 0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.285 8.075 -1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.680 8.896 -0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.522 8.833 -2.195 1.00 0.00 H new ATOM 895 N VAL A 81 9.481 7.777 -2.669 1.00 0.00 N ATOM 896 CA VAL A 81 10.841 8.282 -2.586 1.00 0.00 C ATOM 897 C VAL A 81 11.098 9.236 -3.754 1.00 0.00 C ATOM 898 O VAL A 81 11.501 10.380 -3.548 1.00 0.00 O ATOM 899 CB VAL A 81 11.830 7.115 -2.539 1.00 0.00 C ATOM 900 CG1 VAL A 81 13.173 7.510 -3.157 1.00 0.00 C ATOM 901 CG2 VAL A 81 12.014 6.610 -1.107 1.00 0.00 C ATOM 0 H VAL A 81 9.407 6.763 -2.757 1.00 0.00 H new ATOM 0 HA VAL A 81 10.983 8.849 -1.666 1.00 0.00 H new ATOM 0 HB VAL A 81 11.415 6.300 -3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.858 6.663 -3.111 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.024 7.800 -4.197 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.596 8.349 -2.604 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.722 5.781 -1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.397 7.417 -0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.055 6.271 -0.715 1.00 0.00 H new ATOM 911 N VAL A 82 10.854 8.731 -4.954 1.00 0.00 N ATOM 912 CA VAL A 82 11.053 9.525 -6.155 1.00 0.00 C ATOM 913 C VAL A 82 10.265 10.831 -6.035 1.00 0.00 C ATOM 914 O VAL A 82 10.723 11.880 -6.483 1.00 0.00 O ATOM 915 CB VAL A 82 10.672 8.708 -7.391 1.00 0.00 C ATOM 916 CG1 VAL A 82 10.589 9.599 -8.632 1.00 0.00 C ATOM 917 CG2 VAL A 82 11.653 7.554 -7.609 1.00 0.00 C ATOM 0 H VAL A 82 10.520 7.782 -5.121 1.00 0.00 H new ATOM 0 HA VAL A 82 12.104 9.790 -6.268 1.00 0.00 H new ATOM 0 HB VAL A 82 9.684 8.280 -7.219 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.317 8.994 -9.497 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.834 10.370 -8.476 1.00 0.00 H new ATOM 0 HG13 VAL A 82 11.557 10.069 -8.808 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.359 6.989 -8.494 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.658 7.952 -7.750 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.641 6.897 -6.739 1.00 0.00 H new ATOM 927 N ALA A 83 9.093 10.723 -5.427 1.00 0.00 N ATOM 928 CA ALA A 83 8.236 11.882 -5.242 1.00 0.00 C ATOM 929 C ALA A 83 8.943 12.894 -4.337 1.00 0.00 C ATOM 930 O ALA A 83 8.763 14.101 -4.490 1.00 0.00 O ATOM 931 CB ALA A 83 6.887 11.436 -4.675 1.00 0.00 C ATOM 0 H ALA A 83 8.716 9.851 -5.056 1.00 0.00 H new ATOM 0 HA ALA A 83 8.042 12.371 -6.196 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.245 12.306 -4.537 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.413 10.742 -5.368 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.041 10.942 -3.715 1.00 0.00 H new ATOM 937 N GLY A 84 9.732 12.364 -3.414 1.00 0.00 N ATOM 938 CA GLY A 84 10.466 13.205 -2.484 1.00 0.00 C ATOM 939 C GLY A 84 10.272 12.729 -1.043 1.00 0.00 C ATOM 940 O GLY A 84 10.091 13.541 -0.137 1.00 0.00 O ATOM 0 H GLY A 84 9.879 11.362 -3.290 1.00 0.00 H new ATOM 0 HA2 GLY A 84 11.527 13.192 -2.735 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.129 14.237 -2.578 1.00 0.00 H new ATOM 944 N ALA A 85 10.316 11.416 -0.877 1.00 0.00 N ATOM 945 CA ALA A 85 10.148 10.822 0.439 1.00 0.00 C ATOM 946 C ALA A 85 11.489 10.259 0.915 1.00 0.00 C ATOM 947 O ALA A 85 12.379 10.000 0.107 1.00 0.00 O ATOM 948 CB ALA A 85 9.055 9.753 0.380 1.00 0.00 C ATOM 0 H ALA A 85 10.466 10.746 -1.632 1.00 0.00 H new ATOM 0 HA ALA A 85 9.831 11.574 1.162 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.929 9.307 1.367 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.117 10.209 0.065 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.340 8.980 -0.334 1.00 0.00 H new ATOM 954 N GLU A 86 11.590 10.087 2.225 1.00 0.00 N ATOM 955 CA GLU A 86 12.807 9.560 2.818 1.00 0.00 C ATOM 956 C GLU A 86 12.985 8.087 2.445 1.00 0.00 C ATOM 957 O GLU A 86 12.011 7.339 2.375 1.00 0.00 O ATOM 958 CB GLU A 86 12.800 9.744 4.337 1.00 0.00 C ATOM 959 CG GLU A 86 14.083 10.429 4.812 1.00 0.00 C ATOM 960 CD GLU A 86 14.226 11.819 4.188 1.00 0.00 C ATOM 961 OE1 GLU A 86 13.170 12.443 3.946 1.00 0.00 O ATOM 962 OE2 GLU A 86 15.387 12.225 3.967 1.00 0.00 O ATOM 0 H GLU A 86 10.849 10.303 2.892 1.00 0.00 H new ATOM 0 HA GLU A 86 13.654 10.120 2.421 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.935 10.339 4.631 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.700 8.774 4.824 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.073 10.514 5.899 1.00 0.00 H new ATOM 0 HG3 GLU A 86 14.945 9.817 4.547 1.00 0.00 H new ATOM 969 N ASP A 87 14.235 7.714 2.216 1.00 0.00 N ATOM 970 CA ASP A 87 14.553 6.344 1.852 1.00 0.00 C ATOM 971 C ASP A 87 15.534 5.764 2.872 1.00 0.00 C ATOM 972 O ASP A 87 16.652 6.258 3.014 1.00 0.00 O ATOM 973 CB ASP A 87 15.212 6.279 0.472 1.00 0.00 C ATOM 974 CG ASP A 87 14.745 5.123 -0.414 1.00 0.00 C ATOM 975 OD1 ASP A 87 15.271 5.026 -1.544 1.00 0.00 O ATOM 976 OD2 ASP A 87 13.873 4.363 0.058 1.00 0.00 O ATOM 0 H ASP A 87 15.040 8.337 2.276 1.00 0.00 H new ATOM 0 HA ASP A 87 13.623 5.776 1.835 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.021 7.217 -0.050 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.291 6.202 0.605 1.00 0.00 H new ATOM 981 N GLN A 88 15.081 4.724 3.557 1.00 0.00 N ATOM 982 CA GLN A 88 15.905 4.071 4.560 1.00 0.00 C ATOM 983 C GLN A 88 16.082 2.590 4.220 1.00 0.00 C ATOM 984 O GLN A 88 16.908 1.906 4.822 1.00 0.00 O ATOM 985 CB GLN A 88 15.308 4.245 5.958 1.00 0.00 C ATOM 986 CG GLN A 88 14.800 5.674 6.163 1.00 0.00 C ATOM 987 CD GLN A 88 15.914 6.693 5.913 1.00 0.00 C ATOM 988 OE1 GLN A 88 17.089 6.368 5.866 1.00 0.00 O ATOM 989 NE2 GLN A 88 15.481 7.941 5.756 1.00 0.00 N ATOM 0 H GLN A 88 14.153 4.317 3.437 1.00 0.00 H new ATOM 0 HA GLN A 88 16.887 4.544 4.559 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.488 3.540 6.098 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.061 4.011 6.711 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.967 5.868 5.488 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.420 5.787 7.179 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.483 8.145 5.807 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.147 8.694 5.584 1.00 0.00 H new ATOM 998 N ARG A 89 15.293 2.139 3.256 1.00 0.00 N ATOM 999 CA ARG A 89 15.353 0.751 2.828 1.00 0.00 C ATOM 1000 C ARG A 89 16.349 0.593 1.678 1.00 0.00 C ATOM 1001 O ARG A 89 16.972 -0.458 1.532 1.00 0.00 O ATOM 1002 CB ARG A 89 13.978 0.255 2.376 1.00 0.00 C ATOM 1003 CG ARG A 89 13.445 -0.822 3.323 1.00 0.00 C ATOM 1004 CD ARG A 89 13.501 -2.204 2.669 1.00 0.00 C ATOM 1005 NE ARG A 89 14.908 -2.640 2.529 1.00 0.00 N ATOM 1006 CZ ARG A 89 15.279 -3.858 2.111 1.00 0.00 C ATOM 1007 NH1 ARG A 89 14.349 -4.768 1.789 1.00 0.00 N ATOM 1008 NH2 ARG A 89 16.579 -4.166 2.014 1.00 0.00 N ATOM 0 H ARG A 89 14.609 2.710 2.759 1.00 0.00 H new ATOM 0 HA ARG A 89 15.680 0.154 3.680 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.280 1.091 2.340 1.00 0.00 H new ATOM 0 HB3 ARG A 89 14.047 -0.146 1.365 1.00 0.00 H new ATOM 0 HG2 ARG A 89 14.032 -0.826 4.241 1.00 0.00 H new ATOM 0 HG3 ARG A 89 12.417 -0.589 3.602 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.947 -2.924 3.272 1.00 0.00 H new ATOM 0 HD3 ARG A 89 13.022 -2.172 1.690 1.00 0.00 H new ATOM 0 HE ARG A 89 15.641 -1.972 2.765 1.00 0.00 H new ATOM 0 HH11 ARG A 89 13.359 -4.533 1.862 1.00 0.00 H new ATOM 0 HH12 ARG A 89 14.631 -5.695 1.471 1.00 0.00 H new ATOM 0 HH21 ARG A 89 17.287 -3.473 2.258 1.00 0.00 H new ATOM 0 HH22 ARG A 89 16.861 -5.093 1.696 1.00 0.00 H new