USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 320 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 1 LYS N :NH3+ -159:sc= -0.0262 (180deg=-0.388) USER MOD Single : A 1 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.276) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -22:sc= 0.0916 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.302 K(o=0.3,f=-8.8!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.207 X(o=0.21,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0412 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= -0.044 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -13.463 7.923 -8.233 1.00 0.00 N ATOM 2 CA LYS A 1 -12.604 7.983 -7.010 1.00 0.00 C ATOM 3 C LYS A 1 -13.464 8.193 -5.743 1.00 0.00 C ATOM 4 O LYS A 1 -13.404 9.249 -5.109 1.00 0.00 O ATOM 5 CB LYS A 1 -11.505 9.072 -7.155 1.00 0.00 C ATOM 6 CG LYS A 1 -10.493 8.793 -8.284 1.00 0.00 C ATOM 7 CD LYS A 1 -9.621 10.002 -8.676 1.00 0.00 C ATOM 8 CE LYS A 1 -8.493 10.362 -7.693 1.00 0.00 C ATOM 9 NZ LYS A 1 -8.956 11.179 -6.538 1.00 0.00 N ATOM 0 H1 LYS A 1 -12.946 7.442 -8.997 1.00 0.00 H new ATOM 0 H2 LYS A 1 -14.335 7.397 -8.020 1.00 0.00 H new ATOM 0 H3 LYS A 1 -13.706 8.888 -8.534 1.00 0.00 H new ATOM 0 HA LYS A 1 -12.095 7.025 -6.900 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -11.983 10.034 -7.339 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -10.967 9.159 -6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -9.841 7.976 -7.976 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -11.036 8.452 -9.165 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -9.177 9.805 -9.652 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -10.269 10.871 -8.790 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -8.039 9.444 -7.321 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -7.716 10.909 -8.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -8.149 11.693 -6.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -9.673 11.860 -6.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -9.370 10.556 -5.816 1.00 0.00 H new ATOM 25 N LYS A 2 -14.313 7.211 -5.389 1.00 0.00 N ATOM 26 CA LYS A 2 -15.378 7.303 -4.353 1.00 0.00 C ATOM 27 C LYS A 2 -15.526 6.014 -3.512 1.00 0.00 C ATOM 28 O LYS A 2 -16.620 5.689 -3.048 1.00 0.00 O ATOM 29 CB LYS A 2 -16.717 7.703 -5.030 1.00 0.00 C ATOM 30 CG LYS A 2 -16.770 9.120 -5.637 1.00 0.00 C ATOM 31 CD LYS A 2 -16.761 10.263 -4.601 1.00 0.00 C ATOM 32 CE LYS A 2 -18.065 10.385 -3.793 1.00 0.00 C ATOM 33 NZ LYS A 2 -19.192 10.904 -4.615 1.00 0.00 N ATOM 0 H LYS A 2 -14.281 6.292 -5.830 1.00 0.00 H new ATOM 0 HA LYS A 2 -15.084 8.075 -3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -16.932 6.983 -5.819 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -17.515 7.615 -4.293 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.919 9.247 -6.306 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -17.670 9.207 -6.246 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.931 10.108 -3.911 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -16.575 11.205 -5.116 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -18.332 9.409 -3.389 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -17.903 11.048 -2.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -20.048 10.969 -4.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -18.950 11.847 -4.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -19.366 10.259 -5.412 1.00 0.00 H new ATOM 47 N VAL A 3 -14.441 5.251 -3.339 1.00 0.00 N ATOM 48 CA VAL A 3 -14.420 3.938 -2.652 1.00 0.00 C ATOM 49 C VAL A 3 -14.978 4.028 -1.224 1.00 0.00 C ATOM 50 O VAL A 3 -14.453 4.752 -0.376 1.00 0.00 O ATOM 51 CB VAL A 3 -13.006 3.324 -2.607 1.00 0.00 C ATOM 52 CG1 VAL A 3 -13.026 1.892 -2.051 1.00 0.00 C ATOM 53 CG2 VAL A 3 -12.341 3.273 -3.990 1.00 0.00 C ATOM 0 H VAL A 3 -13.522 5.531 -3.680 1.00 0.00 H new ATOM 0 HA VAL A 3 -15.063 3.286 -3.243 1.00 0.00 H new ATOM 0 HB VAL A 3 -12.432 3.979 -1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -12.012 1.494 -2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -13.428 1.901 -1.038 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -13.652 1.264 -2.685 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -11.348 2.832 -3.900 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -12.948 2.667 -4.663 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -12.254 4.283 -4.390 1.00 0.00 H new ATOM 63 N CYS A 4 -16.042 3.270 -0.966 1.00 0.00 N ATOM 64 CA CYS A 4 -16.700 3.154 0.344 1.00 0.00 C ATOM 65 C CYS A 4 -16.077 2.057 1.232 1.00 0.00 C ATOM 66 O CYS A 4 -15.991 2.219 2.451 1.00 0.00 O ATOM 67 CB CYS A 4 -18.194 2.875 0.129 1.00 0.00 C ATOM 68 SG CYS A 4 -19.091 4.167 -0.776 1.00 0.00 S ATOM 0 H CYS A 4 -16.488 2.699 -1.684 1.00 0.00 H new ATOM 0 HA CYS A 4 -16.559 4.097 0.872 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -18.299 1.934 -0.411 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -18.667 2.738 1.102 1.00 0.00 H new ATOM 0 HG CYS A 4 -20.339 3.824 -0.900 1.00 0.00 H new ATOM 73 N ALA A 5 -15.638 0.947 0.625 1.00 0.00 N ATOM 74 CA ALA A 5 -15.011 -0.202 1.280 1.00 0.00 C ATOM 75 C ALA A 5 -13.964 -0.854 0.354 1.00 0.00 C ATOM 76 O ALA A 5 -14.306 -1.411 -0.693 1.00 0.00 O ATOM 77 CB ALA A 5 -16.106 -1.198 1.692 1.00 0.00 C ATOM 0 H ALA A 5 -15.715 0.822 -0.384 1.00 0.00 H new ATOM 0 HA ALA A 5 -14.481 0.126 2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -15.650 -2.059 2.181 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -16.798 -0.714 2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -16.648 -1.529 0.806 1.00 0.00 H new ATOM 83 N CYS A 6 -12.684 -0.765 0.721 1.00 0.00 N ATOM 84 CA CYS A 6 -11.572 -1.419 0.043 1.00 0.00 C ATOM 85 C CYS A 6 -11.660 -2.968 0.090 1.00 0.00 C ATOM 86 O CYS A 6 -12.339 -3.526 0.962 1.00 0.00 O ATOM 87 CB CYS A 6 -10.290 -0.902 0.709 1.00 0.00 C ATOM 88 SG CYS A 6 -9.706 0.702 0.100 1.00 0.00 S ATOM 0 H CYS A 6 -12.387 -0.215 1.527 1.00 0.00 H new ATOM 0 HA CYS A 6 -11.590 -1.176 -1.020 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -10.461 -0.826 1.783 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -9.500 -1.639 0.564 1.00 0.00 H new ATOM 93 N PRO A 7 -10.967 -3.676 -0.826 1.00 0.00 N ATOM 94 CA PRO A 7 -10.973 -5.137 -0.905 1.00 0.00 C ATOM 95 C PRO A 7 -10.095 -5.782 0.182 1.00 0.00 C ATOM 96 O PRO A 7 -9.337 -5.103 0.886 1.00 0.00 O ATOM 97 CB PRO A 7 -10.464 -5.445 -2.320 1.00 0.00 C ATOM 98 CG PRO A 7 -9.488 -4.307 -2.603 1.00 0.00 C ATOM 99 CD PRO A 7 -10.097 -3.122 -1.852 1.00 0.00 C ATOM 0 HA PRO A 7 -11.965 -5.552 -0.728 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -9.972 -6.417 -2.367 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.278 -5.465 -3.044 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.486 -4.539 -2.243 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -9.404 -4.106 -3.671 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -9.317 -2.505 -1.406 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.660 -2.482 -2.531 1.00 0.00 H new ATOM 107 N LYS A 8 -10.175 -7.116 0.295 1.00 0.00 N ATOM 108 CA LYS A 8 -9.519 -7.939 1.329 1.00 0.00 C ATOM 109 C LYS A 8 -8.526 -8.982 0.783 1.00 0.00 C ATOM 110 O LYS A 8 -8.059 -9.846 1.525 1.00 0.00 O ATOM 111 CB LYS A 8 -10.621 -8.572 2.208 1.00 0.00 C ATOM 112 CG LYS A 8 -10.229 -8.532 3.689 1.00 0.00 C ATOM 113 CD LYS A 8 -11.259 -9.269 4.561 1.00 0.00 C ATOM 114 CE LYS A 8 -11.049 -9.019 6.062 1.00 0.00 C ATOM 115 NZ LYS A 8 -9.745 -9.537 6.556 1.00 0.00 N ATOM 0 H LYS A 8 -10.721 -7.677 -0.358 1.00 0.00 H new ATOM 0 HA LYS A 8 -8.886 -7.286 1.930 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -11.560 -8.038 2.062 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -10.790 -9.604 1.900 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.247 -8.987 3.820 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.147 -7.496 4.017 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.262 -8.949 4.280 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -11.198 -10.339 4.363 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.108 -7.949 6.259 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.857 -9.491 6.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.657 -9.341 7.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.696 -10.563 6.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.969 -9.069 6.045 1.00 0.00 H new ATOM 129 N ILE A 9 -8.211 -8.916 -0.514 1.00 0.00 N ATOM 130 CA ILE A 9 -7.297 -9.835 -1.213 1.00 0.00 C ATOM 131 C ILE A 9 -5.880 -9.718 -0.626 1.00 0.00 C ATOM 132 O ILE A 9 -5.414 -8.626 -0.289 1.00 0.00 O ATOM 133 CB ILE A 9 -7.255 -9.581 -2.745 1.00 0.00 C ATOM 134 CG1 ILE A 9 -8.642 -9.275 -3.369 1.00 0.00 C ATOM 135 CG2 ILE A 9 -6.634 -10.796 -3.465 1.00 0.00 C ATOM 136 CD1 ILE A 9 -8.590 -8.808 -4.831 1.00 0.00 C ATOM 0 H ILE A 9 -8.596 -8.199 -1.130 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.680 -10.844 -1.061 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.642 -8.690 -2.884 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.260 -10.171 -3.308 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.134 -8.507 -2.772 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.609 -10.609 -4.539 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.619 -10.955 -3.100 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.235 -11.683 -3.265 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -9.602 -8.616 -5.188 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.002 -7.893 -4.900 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.130 -9.583 -5.444 1.00 0.00 H new ATOM 148 N LEU A 10 -5.180 -10.849 -0.554 1.00 0.00 N ATOM 149 CA LEU A 10 -3.769 -10.969 -0.164 1.00 0.00 C ATOM 150 C LEU A 10 -2.837 -10.495 -1.298 1.00 0.00 C ATOM 151 O LEU A 10 -2.140 -11.297 -1.927 1.00 0.00 O ATOM 152 CB LEU A 10 -3.482 -12.430 0.254 1.00 0.00 C ATOM 153 CG LEU A 10 -4.104 -12.846 1.600 1.00 0.00 C ATOM 154 CD1 LEU A 10 -4.040 -14.366 1.752 1.00 0.00 C ATOM 155 CD2 LEU A 10 -3.355 -12.225 2.784 1.00 0.00 C ATOM 0 H LEU A 10 -5.598 -11.752 -0.776 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.570 -10.320 0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.854 -13.096 -0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.403 -12.573 0.308 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.136 -12.494 1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.481 -14.655 2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.593 -14.837 0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.000 -14.691 1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.823 -12.541 3.717 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.316 -12.553 2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.393 -11.138 2.709 1.00 0.00 H new ATOM 167 N LYS A 11 -2.811 -9.179 -1.555 1.00 0.00 N ATOM 168 CA LYS A 11 -1.919 -8.517 -2.520 1.00 0.00 C ATOM 169 C LYS A 11 -1.278 -7.277 -1.876 1.00 0.00 C ATOM 170 O LYS A 11 -1.542 -6.156 -2.317 1.00 0.00 O ATOM 171 CB LYS A 11 -2.703 -8.223 -3.821 1.00 0.00 C ATOM 172 CG LYS A 11 -2.682 -9.419 -4.783 1.00 0.00 C ATOM 173 CD LYS A 11 -3.654 -9.227 -5.955 1.00 0.00 C ATOM 174 CE LYS A 11 -3.392 -10.300 -7.021 1.00 0.00 C ATOM 175 NZ LYS A 11 -4.446 -10.307 -8.070 1.00 0.00 N ATOM 0 H LYS A 11 -3.432 -8.523 -1.081 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.090 -9.168 -2.798 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.735 -7.973 -3.575 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.273 -7.352 -4.315 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.672 -9.558 -5.168 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.943 -10.327 -4.239 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.683 -9.294 -5.602 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.529 -8.234 -6.386 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.421 -10.123 -7.483 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.346 -11.280 -6.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.233 -11.045 -8.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.370 -10.501 -7.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.473 -9.380 -8.541 1.00 0.00 H new ATOM 189 N PRO A 12 -0.463 -7.455 -0.815 1.00 0.00 N ATOM 190 CA PRO A 12 0.154 -6.347 -0.092 1.00 0.00 C ATOM 191 C PRO A 12 1.181 -5.617 -0.958 1.00 0.00 C ATOM 192 O PRO A 12 1.661 -6.141 -1.964 1.00 0.00 O ATOM 193 CB PRO A 12 0.765 -6.963 1.169 1.00 0.00 C ATOM 194 CG PRO A 12 1.083 -8.389 0.748 1.00 0.00 C ATOM 195 CD PRO A 12 -0.016 -8.726 -0.259 1.00 0.00 C ATOM 0 HA PRO A 12 -0.573 -5.580 0.175 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.661 -6.428 1.484 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.068 -6.938 2.007 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.073 -8.462 0.299 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.068 -9.070 1.599 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.362 -9.382 -1.043 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.840 -9.250 0.225 1.00 0.00 H new ATOM 203 N VAL A 13 1.499 -4.384 -0.575 1.00 0.00 N ATOM 204 CA VAL A 13 2.341 -3.454 -1.347 1.00 0.00 C ATOM 205 C VAL A 13 3.208 -2.587 -0.433 1.00 0.00 C ATOM 206 O VAL A 13 2.896 -2.420 0.748 1.00 0.00 O ATOM 207 CB VAL A 13 1.492 -2.555 -2.271 1.00 0.00 C ATOM 208 CG1 VAL A 13 0.560 -3.337 -3.206 1.00 0.00 C ATOM 209 CG2 VAL A 13 0.644 -1.536 -1.510 1.00 0.00 C ATOM 0 H VAL A 13 1.172 -3.986 0.305 1.00 0.00 H new ATOM 0 HA VAL A 13 2.997 -4.067 -1.966 1.00 0.00 H new ATOM 0 HB VAL A 13 2.241 -2.034 -2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.004 -2.639 -3.825 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.152 -3.992 -3.845 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.131 -3.937 -2.613 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.072 -0.937 -2.219 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.040 -2.059 -0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.295 -0.885 -0.926 1.00 0.00 H new ATOM 219 N CYS A 14 4.252 -1.978 -0.993 1.00 0.00 N ATOM 220 CA CYS A 14 5.117 -1.011 -0.327 1.00 0.00 C ATOM 221 C CYS A 14 4.695 0.422 -0.696 1.00 0.00 C ATOM 222 O CYS A 14 4.795 0.827 -1.859 1.00 0.00 O ATOM 223 CB CYS A 14 6.582 -1.277 -0.704 1.00 0.00 C ATOM 224 SG CYS A 14 7.744 -0.641 0.530 1.00 0.00 S ATOM 0 H CYS A 14 4.527 -2.153 -1.960 1.00 0.00 H new ATOM 0 HA CYS A 14 5.018 -1.120 0.753 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.734 -2.350 -0.822 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.794 -0.817 -1.669 1.00 0.00 H new ATOM 229 N GLY A 15 4.201 1.195 0.274 1.00 0.00 N ATOM 230 CA GLY A 15 3.912 2.622 0.072 1.00 0.00 C ATOM 231 C GLY A 15 5.170 3.502 0.047 1.00 0.00 C ATOM 232 O GLY A 15 6.249 3.087 0.472 1.00 0.00 O ATOM 0 H GLY A 15 3.991 0.857 1.213 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.372 2.746 -0.867 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.252 2.967 0.868 1.00 0.00 H new ATOM 236 N SER A 16 5.026 4.751 -0.406 1.00 0.00 N ATOM 237 CA SER A 16 6.105 5.757 -0.479 1.00 0.00 C ATOM 238 C SER A 16 6.735 6.091 0.888 1.00 0.00 C ATOM 239 O SER A 16 7.910 6.452 0.972 1.00 0.00 O ATOM 240 CB SER A 16 5.556 7.026 -1.145 1.00 0.00 C ATOM 241 OG SER A 16 6.601 7.924 -1.481 1.00 0.00 O ATOM 0 H SER A 16 4.131 5.106 -0.743 1.00 0.00 H new ATOM 0 HA SER A 16 6.911 5.327 -1.074 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.002 6.757 -2.044 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.853 7.518 -0.472 1.00 0.00 H new ATOM 0 HG SER A 16 6.223 8.722 -1.905 1.00 0.00 H new ATOM 247 N ASP A 17 5.987 5.896 1.982 1.00 0.00 N ATOM 248 CA ASP A 17 6.476 6.002 3.368 1.00 0.00 C ATOM 249 C ASP A 17 7.480 4.891 3.764 1.00 0.00 C ATOM 250 O ASP A 17 8.161 4.996 4.786 1.00 0.00 O ATOM 251 CB ASP A 17 5.258 5.982 4.306 1.00 0.00 C ATOM 252 CG ASP A 17 5.615 6.319 5.765 1.00 0.00 C ATOM 253 OD1 ASP A 17 6.061 7.462 6.030 1.00 0.00 O ATOM 254 OD2 ASP A 17 5.411 5.459 6.654 1.00 0.00 O ATOM 0 H ASP A 17 4.998 5.653 1.929 1.00 0.00 H new ATOM 0 HA ASP A 17 7.030 6.936 3.455 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.517 6.695 3.945 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.795 4.996 4.270 1.00 0.00 H new ATOM 259 N GLY A 18 7.582 3.821 2.966 1.00 0.00 N ATOM 260 CA GLY A 18 8.426 2.642 3.203 1.00 0.00 C ATOM 261 C GLY A 18 7.754 1.527 4.018 1.00 0.00 C ATOM 262 O GLY A 18 8.352 0.464 4.205 1.00 0.00 O ATOM 0 H GLY A 18 7.054 3.750 2.096 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.736 2.234 2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.331 2.958 3.722 1.00 0.00 H new ATOM 266 N ARG A 19 6.522 1.745 4.505 1.00 0.00 N ATOM 267 CA ARG A 19 5.697 0.733 5.189 1.00 0.00 C ATOM 268 C ARG A 19 5.042 -0.233 4.192 1.00 0.00 C ATOM 269 O ARG A 19 4.821 0.109 3.026 1.00 0.00 O ATOM 270 CB ARG A 19 4.618 1.433 6.047 1.00 0.00 C ATOM 271 CG ARG A 19 4.345 0.694 7.368 1.00 0.00 C ATOM 272 CD ARG A 19 3.101 1.243 8.076 1.00 0.00 C ATOM 273 NE ARG A 19 3.006 0.722 9.457 1.00 0.00 N ATOM 274 CZ ARG A 19 1.930 0.319 10.112 1.00 0.00 C ATOM 275 NH1 ARG A 19 0.746 0.295 9.566 1.00 0.00 N ATOM 276 NH2 ARG A 19 2.028 -0.074 11.350 1.00 0.00 N ATOM 0 H ARG A 19 6.060 2.651 4.433 1.00 0.00 H new ATOM 0 HA ARG A 19 6.349 0.144 5.834 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.936 2.453 6.264 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.693 1.503 5.475 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.212 -0.369 7.170 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.210 0.790 8.024 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.140 2.332 8.096 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.207 0.966 7.516 1.00 0.00 H new ATOM 0 HE ARG A 19 3.885 0.666 9.971 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.624 0.594 8.599 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.058 -0.023 10.106 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.936 -0.071 11.816 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.197 -0.384 11.854 1.00 0.00 H new ATOM 290 N THR A 20 4.636 -1.395 4.693 1.00 0.00 N ATOM 291 CA THR A 20 3.816 -2.392 3.985 1.00 0.00 C ATOM 292 C THR A 20 2.417 -2.439 4.596 1.00 0.00 C ATOM 293 O THR A 20 2.282 -2.551 5.817 1.00 0.00 O ATOM 294 CB THR A 20 4.449 -3.794 4.054 1.00 0.00 C ATOM 295 OG1 THR A 20 5.768 -3.773 3.547 1.00 0.00 O ATOM 296 CG2 THR A 20 3.694 -4.834 3.222 1.00 0.00 C ATOM 0 H THR A 20 4.875 -1.687 5.641 1.00 0.00 H new ATOM 0 HA THR A 20 3.757 -2.093 2.938 1.00 0.00 H new ATOM 0 HB THR A 20 4.417 -4.068 5.109 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.876 -3.004 2.949 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.189 -5.801 3.312 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.669 -4.916 3.585 1.00 0.00 H new ATOM 0 HG23 THR A 20 3.685 -4.527 2.176 1.00 0.00 H new ATOM 304 N TYR A 21 1.378 -2.390 3.760 1.00 0.00 N ATOM 305 CA TYR A 21 -0.012 -2.598 4.151 1.00 0.00 C ATOM 306 C TYR A 21 -0.616 -3.797 3.400 1.00 0.00 C ATOM 307 O TYR A 21 -0.053 -4.269 2.409 1.00 0.00 O ATOM 308 CB TYR A 21 -0.810 -1.333 3.838 1.00 0.00 C ATOM 309 CG TYR A 21 -0.347 -0.028 4.470 1.00 0.00 C ATOM 310 CD1 TYR A 21 0.677 0.729 3.867 1.00 0.00 C ATOM 311 CD2 TYR A 21 -1.001 0.472 5.615 1.00 0.00 C ATOM 312 CE1 TYR A 21 1.035 1.988 4.388 1.00 0.00 C ATOM 313 CE2 TYR A 21 -0.644 1.729 6.142 1.00 0.00 C ATOM 314 CZ TYR A 21 0.368 2.494 5.525 1.00 0.00 C ATOM 315 OH TYR A 21 0.694 3.715 6.032 1.00 0.00 O ATOM 0 H TYR A 21 1.487 -2.199 2.764 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.054 -2.810 5.219 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.814 -1.198 2.756 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.843 -1.505 4.142 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.191 0.342 3.000 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.777 -0.110 6.089 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.818 2.565 3.919 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.146 2.108 7.020 1.00 0.00 H new ATOM 0 HH TYR A 21 0.134 3.905 6.814 1.00 0.00 H new ATOM 325 N ALA A 22 -1.794 -4.257 3.834 1.00 0.00 N ATOM 326 CA ALA A 22 -2.488 -5.445 3.321 1.00 0.00 C ATOM 327 C ALA A 22 -2.798 -5.428 1.811 1.00 0.00 C ATOM 328 O ALA A 22 -2.924 -6.495 1.207 1.00 0.00 O ATOM 329 CB ALA A 22 -3.798 -5.593 4.109 1.00 0.00 C ATOM 0 H ALA A 22 -2.311 -3.794 4.582 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.811 -6.288 3.457 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.340 -6.469 3.752 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.574 -5.712 5.169 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.411 -4.703 3.966 1.00 0.00 H new ATOM 335 N ASN A 23 -2.914 -4.245 1.193 1.00 0.00 N ATOM 336 CA ASN A 23 -3.085 -4.051 -0.241 1.00 0.00 C ATOM 337 C ASN A 23 -2.871 -2.584 -0.635 1.00 0.00 C ATOM 338 O ASN A 23 -2.680 -1.709 0.216 1.00 0.00 O ATOM 339 CB ASN A 23 -4.461 -4.530 -0.718 1.00 0.00 C ATOM 340 CG ASN A 23 -5.631 -3.921 0.015 1.00 0.00 C ATOM 341 OD1 ASN A 23 -5.869 -2.729 -0.075 1.00 0.00 O ATOM 342 ND2 ASN A 23 -6.405 -4.722 0.708 1.00 0.00 N ATOM 0 H ASN A 23 -2.889 -3.364 1.706 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.325 -4.657 -0.735 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.560 -4.307 -1.780 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.509 -5.614 -0.614 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.226 -4.351 1.186 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.186 -5.716 0.769 1.00 0.00 H new ATOM 349 N SER A 24 -2.951 -2.321 -1.939 1.00 0.00 N ATOM 350 CA SER A 24 -2.852 -0.988 -2.515 1.00 0.00 C ATOM 351 C SER A 24 -3.929 -0.013 -2.036 1.00 0.00 C ATOM 352 O SER A 24 -3.593 1.099 -1.638 1.00 0.00 O ATOM 353 CB SER A 24 -2.819 -1.067 -4.045 1.00 0.00 C ATOM 354 OG SER A 24 -3.951 -1.778 -4.521 1.00 0.00 O ATOM 0 H SER A 24 -3.090 -3.050 -2.638 1.00 0.00 H new ATOM 0 HA SER A 24 -1.911 -0.574 -2.152 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.806 -0.063 -4.469 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.905 -1.563 -4.372 1.00 0.00 H new ATOM 0 HG SER A 24 -3.922 -1.822 -5.500 1.00 0.00 H new ATOM 360 N CYS A 25 -5.200 -0.426 -2.027 1.00 0.00 N ATOM 361 CA CYS A 25 -6.374 0.362 -1.617 1.00 0.00 C ATOM 362 C CYS A 25 -6.260 0.933 -0.196 1.00 0.00 C ATOM 363 O CYS A 25 -6.590 2.084 0.084 1.00 0.00 O ATOM 364 CB CYS A 25 -7.597 -0.548 -1.697 1.00 0.00 C ATOM 365 SG CYS A 25 -9.190 0.310 -1.833 1.00 0.00 S ATOM 0 H CYS A 25 -5.455 -1.369 -2.321 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.453 1.218 -2.287 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -7.483 -1.208 -2.557 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.618 -1.181 -0.810 1.00 0.00 H new ATOM 370 N ILE A 26 -5.758 0.097 0.701 1.00 0.00 N ATOM 371 CA ILE A 26 -5.457 0.430 2.097 1.00 0.00 C ATOM 372 C ILE A 26 -4.293 1.431 2.187 1.00 0.00 C ATOM 373 O ILE A 26 -4.413 2.474 2.834 1.00 0.00 O ATOM 374 CB ILE A 26 -5.165 -0.878 2.881 1.00 0.00 C ATOM 375 CG1 ILE A 26 -6.369 -1.723 3.357 1.00 0.00 C ATOM 376 CG2 ILE A 26 -4.365 -0.639 4.164 1.00 0.00 C ATOM 377 CD1 ILE A 26 -7.673 -1.629 2.569 1.00 0.00 C ATOM 0 H ILE A 26 -5.538 -0.873 0.473 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.320 0.918 2.550 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.628 -1.425 2.106 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -6.060 -2.768 3.365 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.583 -1.446 4.389 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.192 -1.590 4.668 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.408 -0.181 3.916 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.925 0.024 4.823 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.421 -2.278 3.025 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.031 -0.599 2.579 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.499 -1.943 1.540 1.00 0.00 H new ATOM 389 N ALA A 27 -3.160 1.126 1.547 1.00 0.00 N ATOM 390 CA ALA A 27 -1.976 1.984 1.555 1.00 0.00 C ATOM 391 C ALA A 27 -2.283 3.396 1.014 1.00 0.00 C ATOM 392 O ALA A 27 -1.955 4.394 1.659 1.00 0.00 O ATOM 393 CB ALA A 27 -0.877 1.275 0.758 1.00 0.00 C ATOM 0 H ALA A 27 -3.040 0.270 1.005 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.636 2.141 2.579 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.021 1.893 0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.651 0.316 1.224 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.217 1.111 -0.264 1.00 0.00 H new ATOM 399 N ARG A 28 -2.982 3.494 -0.125 1.00 0.00 N ATOM 400 CA ARG A 28 -3.407 4.769 -0.731 1.00 0.00 C ATOM 401 C ARG A 28 -4.425 5.565 0.089 1.00 0.00 C ATOM 402 O ARG A 28 -4.421 6.792 0.031 1.00 0.00 O ATOM 403 CB ARG A 28 -3.899 4.531 -2.163 1.00 0.00 C ATOM 404 CG ARG A 28 -5.249 3.800 -2.246 1.00 0.00 C ATOM 405 CD ARG A 28 -5.618 3.427 -3.692 1.00 0.00 C ATOM 406 NE ARG A 28 -5.578 4.585 -4.610 1.00 0.00 N ATOM 407 CZ ARG A 28 -6.420 5.600 -4.684 1.00 0.00 C ATOM 408 NH1 ARG A 28 -7.495 5.671 -3.949 1.00 0.00 N ATOM 409 NH2 ARG A 28 -6.190 6.583 -5.505 1.00 0.00 N ATOM 0 H ARG A 28 -3.274 2.678 -0.662 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.521 5.404 -0.747 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.986 5.491 -2.671 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.150 3.951 -2.702 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.209 2.896 -1.638 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.030 4.433 -1.825 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.931 2.660 -4.051 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.617 2.992 -3.707 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.801 4.602 -5.271 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.710 4.925 -3.287 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.120 6.472 -4.036 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.357 6.571 -6.094 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.842 7.365 -5.560 1.00 0.00 H new ATOM 423 N CYS A 29 -5.262 4.895 0.886 1.00 0.00 N ATOM 424 CA CYS A 29 -6.242 5.532 1.781 1.00 0.00 C ATOM 425 C CYS A 29 -5.583 6.465 2.817 1.00 0.00 C ATOM 426 O CYS A 29 -6.124 7.518 3.161 1.00 0.00 O ATOM 427 CB CYS A 29 -7.053 4.443 2.492 1.00 0.00 C ATOM 428 SG CYS A 29 -8.547 5.029 3.334 1.00 0.00 S ATOM 0 H CYS A 29 -5.281 3.876 0.931 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.895 6.155 1.170 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -7.339 3.688 1.760 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -6.411 3.952 3.223 1.00 0.00 H new ATOM 0 HG CYS A 29 -9.151 4.024 3.896 1.00 0.00 H new ATOM 433 N ASN A 30 -4.379 6.104 3.272 1.00 0.00 N ATOM 434 CA ASN A 30 -3.514 6.896 4.144 1.00 0.00 C ATOM 435 C ASN A 30 -2.854 8.113 3.442 1.00 0.00 C ATOM 436 O ASN A 30 -2.172 8.906 4.093 1.00 0.00 O ATOM 437 CB ASN A 30 -2.475 5.930 4.741 1.00 0.00 C ATOM 438 CG ASN A 30 -3.071 5.016 5.802 1.00 0.00 C ATOM 439 OD1 ASN A 30 -3.112 5.348 6.979 1.00 0.00 O ATOM 440 ND2 ASN A 30 -3.566 3.852 5.444 1.00 0.00 N ATOM 0 H ASN A 30 -3.963 5.205 3.028 1.00 0.00 H new ATOM 0 HA ASN A 30 -4.117 7.353 4.928 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.047 5.324 3.943 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.658 6.505 5.178 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.979 3.236 6.145 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.537 3.565 4.466 1.00 0.00 H new ATOM 447 N GLY A 31 -3.061 8.287 2.131 1.00 0.00 N ATOM 448 CA GLY A 31 -2.663 9.449 1.323 1.00 0.00 C ATOM 449 C GLY A 31 -1.342 9.294 0.555 1.00 0.00 C ATOM 450 O GLY A 31 -1.048 10.106 -0.324 1.00 0.00 O ATOM 0 H GLY A 31 -3.539 7.580 1.572 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.457 9.662 0.607 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.583 10.316 1.978 1.00 0.00 H new ATOM 454 N VAL A 32 -0.545 8.264 0.858 1.00 0.00 N ATOM 455 CA VAL A 32 0.738 7.955 0.220 1.00 0.00 C ATOM 456 C VAL A 32 0.561 7.067 -1.017 1.00 0.00 C ATOM 457 O VAL A 32 -0.193 6.093 -1.000 1.00 0.00 O ATOM 458 CB VAL A 32 1.681 7.295 1.242 1.00 0.00 C ATOM 459 CG1 VAL A 32 2.167 8.343 2.251 1.00 0.00 C ATOM 460 CG2 VAL A 32 1.094 6.107 2.022 1.00 0.00 C ATOM 0 H VAL A 32 -0.788 7.593 1.587 1.00 0.00 H new ATOM 0 HA VAL A 32 1.181 8.890 -0.123 1.00 0.00 H new ATOM 0 HB VAL A 32 2.494 6.888 0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.834 7.871 2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.702 9.134 1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.311 8.770 2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.843 5.719 2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.219 6.436 2.583 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.803 5.322 1.324 1.00 0.00 H new ATOM 470 N SER A 33 1.257 7.392 -2.108 1.00 0.00 N ATOM 471 CA SER A 33 1.319 6.592 -3.331 1.00 0.00 C ATOM 472 C SER A 33 2.078 5.271 -3.138 1.00 0.00 C ATOM 473 O SER A 33 2.807 5.084 -2.161 1.00 0.00 O ATOM 474 CB SER A 33 1.964 7.440 -4.433 1.00 0.00 C ATOM 475 OG SER A 33 3.098 8.165 -3.970 1.00 0.00 O ATOM 0 H SER A 33 1.811 8.247 -2.166 1.00 0.00 H new ATOM 0 HA SER A 33 0.304 6.313 -3.613 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.263 6.792 -5.257 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.226 8.139 -4.828 1.00 0.00 H new ATOM 0 HG SER A 33 3.475 8.688 -4.708 1.00 0.00 H new ATOM 481 N ILE A 34 1.919 4.344 -4.087 1.00 0.00 N ATOM 482 CA ILE A 34 2.545 3.013 -4.050 1.00 0.00 C ATOM 483 C ILE A 34 3.900 3.047 -4.749 1.00 0.00 C ATOM 484 O ILE A 34 3.987 3.203 -5.969 1.00 0.00 O ATOM 485 CB ILE A 34 1.617 1.923 -4.631 1.00 0.00 C ATOM 486 CG1 ILE A 34 0.225 1.942 -3.974 1.00 0.00 C ATOM 487 CG2 ILE A 34 2.204 0.507 -4.462 1.00 0.00 C ATOM 488 CD1 ILE A 34 0.302 1.938 -2.445 1.00 0.00 C ATOM 0 H ILE A 34 1.344 4.496 -4.916 1.00 0.00 H new ATOM 0 HA ILE A 34 2.712 2.744 -3.007 1.00 0.00 H new ATOM 0 HB ILE A 34 1.527 2.156 -5.692 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.318 2.827 -4.306 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.344 1.075 -4.309 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.516 -0.225 -4.885 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.162 0.446 -4.979 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.349 0.298 -3.402 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.706 1.952 -2.030 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.820 1.040 -2.109 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.846 2.819 -2.106 1.00 0.00 H new ATOM 500 N LYS A 35 4.966 2.905 -3.956 1.00 0.00 N ATOM 501 CA LYS A 35 6.340 2.750 -4.441 1.00 0.00 C ATOM 502 C LYS A 35 6.487 1.472 -5.272 1.00 0.00 C ATOM 503 O LYS A 35 7.070 1.517 -6.356 1.00 0.00 O ATOM 504 CB LYS A 35 7.295 2.777 -3.237 1.00 0.00 C ATOM 505 CG LYS A 35 8.783 2.607 -3.576 1.00 0.00 C ATOM 506 CD LYS A 35 9.393 3.746 -4.408 1.00 0.00 C ATOM 507 CE LYS A 35 9.295 3.532 -5.926 1.00 0.00 C ATOM 508 NZ LYS A 35 10.091 4.535 -6.683 1.00 0.00 N ATOM 0 H LYS A 35 4.896 2.894 -2.938 1.00 0.00 H new ATOM 0 HA LYS A 35 6.596 3.576 -5.105 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.165 3.723 -2.712 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.004 1.986 -2.546 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.344 2.516 -2.646 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.912 1.671 -4.119 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.892 4.679 -4.150 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.442 3.861 -4.134 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.645 2.530 -6.174 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.251 3.591 -6.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.997 4.355 -7.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.741 5.490 -6.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.092 4.462 -6.409 1.00 0.00 H new ATOM 522 N SER A 36 5.951 0.349 -4.786 1.00 0.00 N ATOM 523 CA SER A 36 5.902 -0.913 -5.548 1.00 0.00 C ATOM 524 C SER A 36 4.923 -1.923 -4.956 1.00 0.00 C ATOM 525 O SER A 36 4.473 -1.797 -3.820 1.00 0.00 O ATOM 526 CB SER A 36 7.288 -1.568 -5.638 1.00 0.00 C ATOM 527 OG SER A 36 7.317 -2.561 -6.654 1.00 0.00 O ATOM 0 H SER A 36 5.538 0.284 -3.856 1.00 0.00 H new ATOM 0 HA SER A 36 5.555 -0.639 -6.544 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.041 -0.808 -5.846 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.545 -2.017 -4.679 1.00 0.00 H new ATOM 0 HG SER A 36 8.210 -2.963 -6.693 1.00 0.00 H new ATOM 533 N GLU A 37 4.612 -2.951 -5.733 1.00 0.00 N ATOM 534 CA GLU A 37 3.773 -4.084 -5.378 1.00 0.00 C ATOM 535 C GLU A 37 4.561 -5.216 -4.692 1.00 0.00 C ATOM 536 O GLU A 37 5.772 -5.373 -4.881 1.00 0.00 O ATOM 537 CB GLU A 37 3.059 -4.581 -6.644 1.00 0.00 C ATOM 538 CG GLU A 37 3.979 -4.867 -7.844 1.00 0.00 C ATOM 539 CD GLU A 37 3.216 -5.543 -9.003 1.00 0.00 C ATOM 540 OE1 GLU A 37 2.244 -4.949 -9.531 1.00 0.00 O ATOM 541 OE2 GLU A 37 3.595 -6.669 -9.408 1.00 0.00 O ATOM 0 H GLU A 37 4.962 -3.019 -6.689 1.00 0.00 H new ATOM 0 HA GLU A 37 3.038 -3.755 -4.644 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.513 -5.492 -6.400 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.321 -3.836 -6.942 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.420 -3.934 -8.195 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.801 -5.509 -7.527 1.00 0.00 H new ATOM 548 N GLY A 38 3.855 -6.020 -3.894 1.00 0.00 N ATOM 549 CA GLY A 38 4.428 -7.000 -2.974 1.00 0.00 C ATOM 550 C GLY A 38 4.937 -6.342 -1.685 1.00 0.00 C ATOM 551 O GLY A 38 5.267 -5.153 -1.652 1.00 0.00 O ATOM 0 H GLY A 38 2.835 -6.005 -3.871 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.676 -7.750 -2.727 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.250 -7.522 -3.465 1.00 0.00 H new ATOM 555 N SER A 39 5.045 -7.129 -0.618 1.00 0.00 N ATOM 556 CA SER A 39 5.737 -6.730 0.615 1.00 0.00 C ATOM 557 C SER A 39 7.201 -6.398 0.309 1.00 0.00 C ATOM 558 O SER A 39 7.907 -7.197 -0.317 1.00 0.00 O ATOM 559 CB SER A 39 5.700 -7.844 1.660 1.00 0.00 C ATOM 560 OG SER A 39 4.406 -8.415 1.779 1.00 0.00 O ATOM 0 H SER A 39 4.653 -8.070 -0.579 1.00 0.00 H new ATOM 0 HA SER A 39 5.223 -5.854 1.012 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.416 -8.620 1.389 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.012 -7.446 2.626 1.00 0.00 H new ATOM 0 HG SER A 39 4.422 -9.124 2.455 1.00 0.00 H new ATOM 566 N CYS A 40 7.660 -5.215 0.714 1.00 0.00 N ATOM 567 CA CYS A 40 9.020 -4.762 0.408 1.00 0.00 C ATOM 568 C CYS A 40 10.104 -5.496 1.227 1.00 0.00 C ATOM 569 O CYS A 40 9.821 -6.020 2.313 1.00 0.00 O ATOM 570 CB CYS A 40 9.150 -3.232 0.511 1.00 0.00 C ATOM 571 SG CYS A 40 8.068 -2.316 1.636 1.00 0.00 S ATOM 0 H CYS A 40 7.110 -4.549 1.257 1.00 0.00 H new ATOM 0 HA CYS A 40 9.202 -5.033 -0.632 1.00 0.00 H new ATOM 0 HB2 CYS A 40 10.179 -3.011 0.796 1.00 0.00 H new ATOM 0 HB3 CYS A 40 9.001 -2.824 -0.489 1.00 0.00 H new ATOM 576 N PRO A 41 11.357 -5.527 0.728 1.00 0.00 N ATOM 577 CA PRO A 41 12.480 -6.175 1.407 1.00 0.00 C ATOM 578 C PRO A 41 12.841 -5.460 2.721 1.00 0.00 C ATOM 579 O PRO A 41 12.817 -4.228 2.806 1.00 0.00 O ATOM 580 CB PRO A 41 13.631 -6.158 0.393 1.00 0.00 C ATOM 581 CG PRO A 41 13.306 -4.973 -0.517 1.00 0.00 C ATOM 582 CD PRO A 41 11.779 -4.979 -0.556 1.00 0.00 C ATOM 0 HA PRO A 41 12.238 -7.194 1.708 1.00 0.00 H new ATOM 0 HB2 PRO A 41 14.595 -6.030 0.886 1.00 0.00 H new ATOM 0 HB3 PRO A 41 13.681 -7.091 -0.169 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.696 -4.037 -0.116 1.00 0.00 H new ATOM 0 HG3 PRO A 41 13.736 -5.098 -1.511 1.00 0.00 H new ATOM 0 HD2 PRO A 41 11.386 -3.973 -0.701 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.410 -5.587 -1.382 1.00 0.00 H new ATOM 590 N THR A 42 13.174 -6.237 3.757 1.00 0.00 N ATOM 591 CA THR A 42 13.503 -5.764 5.108 1.00 0.00 C ATOM 592 C THR A 42 14.272 -6.839 5.883 1.00 0.00 C ATOM 593 O THR A 42 13.763 -7.923 6.175 1.00 0.00 O ATOM 594 CB THR A 42 12.257 -5.268 5.871 1.00 0.00 C ATOM 595 OG1 THR A 42 12.595 -4.890 7.191 1.00 0.00 O ATOM 596 CG2 THR A 42 11.066 -6.231 5.940 1.00 0.00 C ATOM 0 H THR A 42 13.224 -7.252 3.675 1.00 0.00 H new ATOM 0 HA THR A 42 14.157 -4.897 5.009 1.00 0.00 H new ATOM 0 HB THR A 42 11.922 -4.422 5.271 1.00 0.00 H new ATOM 0 HG1 THR A 42 11.792 -4.577 7.657 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.255 -5.767 6.501 1.00 0.00 H new ATOM 0 HG22 THR A 42 10.724 -6.460 4.931 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.371 -7.152 6.437 1.00 0.00 H new ATOM 604 N GLY A 43 15.532 -6.535 6.185 1.00 0.00 N ATOM 605 CA GLY A 43 16.411 -7.322 7.066 1.00 0.00 C ATOM 606 C GLY A 43 17.916 -7.114 6.844 1.00 0.00 C ATOM 607 O GLY A 43 18.699 -7.266 7.787 1.00 0.00 O ATOM 0 H GLY A 43 15.992 -5.704 5.812 1.00 0.00 H new ATOM 0 HA2 GLY A 43 16.175 -7.076 8.101 1.00 0.00 H new ATOM 0 HA3 GLY A 43 16.183 -8.379 6.930 1.00 0.00 H new ATOM 611 N ILE A 44 18.325 -6.748 5.621 1.00 0.00 N ATOM 612 CA ILE A 44 19.709 -6.417 5.215 1.00 0.00 C ATOM 613 C ILE A 44 19.746 -5.330 4.125 1.00 0.00 C ATOM 614 O ILE A 44 18.862 -5.323 3.237 1.00 0.00 O ATOM 615 CB ILE A 44 20.482 -7.709 4.843 1.00 0.00 C ATOM 616 CG1 ILE A 44 21.993 -7.486 4.611 1.00 0.00 C ATOM 617 CG2 ILE A 44 19.888 -8.416 3.612 1.00 0.00 C ATOM 618 CD1 ILE A 44 22.744 -7.005 5.860 1.00 0.00 C ATOM 619 OXT ILE A 44 20.627 -4.443 4.201 1.00 0.00 O ATOM 0 H ILE A 44 17.669 -6.669 4.844 1.00 0.00 H new ATOM 0 HA ILE A 44 20.230 -5.975 6.064 1.00 0.00 H new ATOM 0 HB ILE A 44 20.367 -8.348 5.719 1.00 0.00 H new ATOM 0 HG12 ILE A 44 22.440 -8.418 4.265 1.00 0.00 H new ATOM 0 HG13 ILE A 44 22.125 -6.754 3.814 1.00 0.00 H new ATOM 0 HG21 ILE A 44 20.466 -9.314 3.394 1.00 0.00 H new ATOM 0 HG22 ILE A 44 18.853 -8.691 3.814 1.00 0.00 H new ATOM 0 HG23 ILE A 44 19.924 -7.745 2.754 1.00 0.00 H new ATOM 0 HD11 ILE A 44 23.799 -6.870 5.621 1.00 0.00 H new ATOM 0 HD12 ILE A 44 22.324 -6.057 6.195 1.00 0.00 H new ATOM 0 HD13 ILE A 44 22.644 -7.746 6.653 1.00 0.00 H new TER 631 ILE A 44