USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 441 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 SER OG : rot -49:sc= 1.11 USER MOD Set 1.2: A 62 ASN : amide:sc= 0.928 K(o=2,f=-0.35) USER MOD Set 2.1: A 22 SER OG : rot 114:sc= 0.399 USER MOD Set 2.2: A 43 SER OG : rot 134:sc= 0.371 USER MOD Set 3.1: A 16 LYS NZ :NH3+ -126:sc= 1.14 (180deg=-1.96!) USER MOD Set 3.2: A 18 TYR OH : rot 30:sc= 0.511 USER MOD Set 4.1: A 4 THR OG1 : rot -62:sc= 1.25 USER MOD Set 4.2: A 39 GLN : amide:sc= 0.965 K(o=2.2,f=-0.68!) USER MOD Single : A 1 SER N :NH3+ 139:sc= 0.377 (180deg=-0.226) USER MOD Single : A 1 SER OG : rot 180:sc= 0.218 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0706 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 9 THR OG1 : rot -83:sc= 1.37 USER MOD Single : A 11 SER OG : rot 180:sc= -0.111 USER MOD Single : A 15 TYR OH : rot 180:sc= -0.517 USER MOD Single : A 21 GLN : amide:sc= 0.89 K(o=0.89,f=0) USER MOD Single : A 23 MET CE :methyl -166:sc= 0 (180deg=-0.111) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -128:sc= 0.629 USER MOD Single : A 38 SER OG : rot -151:sc= -2.27! USER MOD Single : A 45 LYS NZ :NH3+ -166:sc= 1.22 (180deg=0.941) USER MOD Single : A 48 LYS NZ :NH3+ 166:sc= 1.28 (180deg=0.786) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.627 X(o=-0.63,f=-0.67) USER MOD Single : A 54 THR OG1 : rot -170:sc= 0.6 USER MOD Single : A 56 ASN : amide:sc= -1.58! C(o=-1.6!,f=-5.2!) USER MOD Single : A 57 SER OG : rot 180:sc= 0.163 USER MOD Single : A 65 ASN : amide:sc= 1.36 K(o=1.4,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 15.868 7.019 4.702 1.00 0.00 N ATOM 2 CA SER A 1 14.573 6.315 4.655 1.00 0.00 C ATOM 3 C SER A 1 13.731 6.808 3.480 1.00 0.00 C ATOM 4 O SER A 1 12.505 6.867 3.561 1.00 0.00 O ATOM 5 CB SER A 1 13.827 6.534 5.970 1.00 0.00 C ATOM 6 OG SER A 1 14.691 7.077 6.960 1.00 0.00 O ATOM 0 H1 SER A 1 16.103 7.248 5.689 1.00 0.00 H new ATOM 0 H2 SER A 1 16.609 6.409 4.302 1.00 0.00 H new ATOM 0 H3 SER A 1 15.806 7.897 4.148 1.00 0.00 H new ATOM 0 HA SER A 1 14.755 5.249 4.516 1.00 0.00 H new ATOM 0 HB2 SER A 1 12.985 7.207 5.807 1.00 0.00 H new ATOM 0 HB3 SER A 1 13.415 5.588 6.321 1.00 0.00 H new ATOM 0 HG SER A 1 14.192 7.210 7.793 1.00 0.00 H new ATOM 14 N ALA A 2 14.397 7.163 2.385 1.00 0.00 N ATOM 15 CA ALA A 2 13.708 7.606 1.181 1.00 0.00 C ATOM 16 C ALA A 2 13.587 6.446 0.206 1.00 0.00 C ATOM 17 O ALA A 2 14.209 6.437 -0.856 1.00 0.00 O ATOM 18 CB ALA A 2 14.440 8.775 0.540 1.00 0.00 C ATOM 0 H ALA A 2 15.414 7.152 2.308 1.00 0.00 H new ATOM 0 HA ALA A 2 12.709 7.947 1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 2 13.908 9.089 -0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 2 14.486 9.606 1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 2 15.452 8.469 0.273 1.00 0.00 H new ATOM 24 N THR A 3 12.797 5.459 0.590 1.00 0.00 N ATOM 25 CA THR A 3 12.633 4.246 -0.193 1.00 0.00 C ATOM 26 C THR A 3 11.840 4.498 -1.474 1.00 0.00 C ATOM 27 O THR A 3 10.717 5.001 -1.431 1.00 0.00 O ATOM 28 CB THR A 3 11.924 3.165 0.641 1.00 0.00 C ATOM 29 OG1 THR A 3 12.128 3.425 2.041 1.00 0.00 O ATOM 30 CG2 THR A 3 12.449 1.780 0.292 1.00 0.00 C ATOM 0 H THR A 3 12.252 5.475 1.452 1.00 0.00 H new ATOM 0 HA THR A 3 13.630 3.904 -0.472 1.00 0.00 H new ATOM 0 HB THR A 3 10.858 3.195 0.414 1.00 0.00 H new ATOM 0 HG1 THR A 3 11.674 2.737 2.571 1.00 0.00 H new ATOM 0 HG21 THR A 3 11.933 1.033 0.895 1.00 0.00 H new ATOM 0 HG22 THR A 3 12.272 1.579 -0.765 1.00 0.00 H new ATOM 0 HG23 THR A 3 13.519 1.734 0.496 1.00 0.00 H new ATOM 38 N THR A 4 12.438 4.152 -2.608 1.00 0.00 N ATOM 39 CA THR A 4 11.773 4.267 -3.897 1.00 0.00 C ATOM 40 C THR A 4 10.828 3.087 -4.113 1.00 0.00 C ATOM 41 O THR A 4 11.185 1.935 -3.857 1.00 0.00 O ATOM 42 CB THR A 4 12.801 4.342 -5.045 1.00 0.00 C ATOM 43 OG1 THR A 4 13.935 5.114 -4.621 1.00 0.00 O ATOM 44 CG2 THR A 4 12.185 4.975 -6.283 1.00 0.00 C ATOM 0 H THR A 4 13.389 3.787 -2.659 1.00 0.00 H new ATOM 0 HA THR A 4 11.193 5.190 -3.897 1.00 0.00 H new ATOM 0 HB THR A 4 13.116 3.329 -5.297 1.00 0.00 H new ATOM 0 HG1 THR A 4 13.649 6.027 -4.411 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.929 5.017 -7.079 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.335 4.378 -6.612 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.849 5.985 -6.047 1.00 0.00 H new ATOM 52 N ILE A 5 9.622 3.382 -4.572 1.00 0.00 N ATOM 53 CA ILE A 5 8.571 2.384 -4.678 1.00 0.00 C ATOM 54 C ILE A 5 8.444 1.819 -6.092 1.00 0.00 C ATOM 55 O ILE A 5 8.498 2.554 -7.082 1.00 0.00 O ATOM 56 CB ILE A 5 7.205 2.968 -4.256 1.00 0.00 C ATOM 57 CG1 ILE A 5 7.254 3.453 -2.808 1.00 0.00 C ATOM 58 CG2 ILE A 5 6.096 1.939 -4.440 1.00 0.00 C ATOM 59 CD1 ILE A 5 6.221 4.515 -2.501 1.00 0.00 C ATOM 0 H ILE A 5 9.346 4.314 -4.880 1.00 0.00 H new ATOM 0 HA ILE A 5 8.855 1.576 -4.004 1.00 0.00 H new ATOM 0 HB ILE A 5 6.986 3.821 -4.898 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.102 2.604 -2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.247 3.850 -2.598 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.143 2.373 -4.136 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.043 1.645 -5.488 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.307 1.063 -3.827 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.308 4.817 -1.457 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.386 5.380 -3.144 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.223 4.115 -2.681 1.00 0.00 H new ATOM 71 N GLY A 6 8.295 0.505 -6.158 1.00 0.00 N ATOM 72 CA GLY A 6 7.916 -0.163 -7.385 1.00 0.00 C ATOM 73 C GLY A 6 6.863 -1.215 -7.101 1.00 0.00 C ATOM 74 O GLY A 6 7.051 -2.027 -6.196 1.00 0.00 O ATOM 0 H GLY A 6 8.433 -0.122 -5.365 1.00 0.00 H new ATOM 0 HA2 GLY A 6 7.531 0.564 -8.100 1.00 0.00 H new ATOM 0 HA3 GLY A 6 8.791 -0.627 -7.841 1.00 0.00 H new ATOM 78 N PRO A 7 5.731 -1.214 -7.838 1.00 0.00 N ATOM 79 CA PRO A 7 4.596 -2.132 -7.600 1.00 0.00 C ATOM 80 C PRO A 7 4.944 -3.621 -7.719 1.00 0.00 C ATOM 81 O PRO A 7 4.069 -4.479 -7.602 1.00 0.00 O ATOM 82 CB PRO A 7 3.587 -1.757 -8.684 1.00 0.00 C ATOM 83 CG PRO A 7 3.949 -0.374 -9.075 1.00 0.00 C ATOM 84 CD PRO A 7 5.442 -0.282 -8.939 1.00 0.00 C ATOM 0 HA PRO A 7 4.236 -2.019 -6.577 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.648 -2.437 -9.534 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.565 -1.807 -8.308 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.637 -0.163 -10.098 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.453 0.355 -8.434 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.950 -0.573 -9.858 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.764 0.732 -8.704 1.00 0.00 H new ATOM 92 N ASN A 8 6.209 -3.928 -7.952 1.00 0.00 N ATOM 93 CA ASN A 8 6.658 -5.312 -8.057 1.00 0.00 C ATOM 94 C ASN A 8 6.975 -5.887 -6.676 1.00 0.00 C ATOM 95 O ASN A 8 7.348 -7.056 -6.546 1.00 0.00 O ATOM 96 CB ASN A 8 7.886 -5.404 -8.971 1.00 0.00 C ATOM 97 CG ASN A 8 9.188 -5.115 -8.248 1.00 0.00 C ATOM 98 OD1 ASN A 8 9.433 -3.989 -7.809 1.00 0.00 O ATOM 99 ND2 ASN A 8 10.031 -6.126 -8.122 1.00 0.00 N ATOM 0 H ASN A 8 6.949 -3.236 -8.073 1.00 0.00 H new ATOM 0 HA ASN A 8 5.852 -5.902 -8.493 1.00 0.00 H new ATOM 0 HB2 ASN A 8 7.933 -6.402 -9.407 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.771 -4.701 -9.796 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.923 -5.990 -7.647 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.789 -7.042 -8.500 1.00 0.00 H new ATOM 106 N THR A 9 6.815 -5.055 -5.651 1.00 0.00 N ATOM 107 CA THR A 9 7.085 -5.449 -4.274 1.00 0.00 C ATOM 108 C THR A 9 6.140 -6.558 -3.822 1.00 0.00 C ATOM 109 O THR A 9 6.574 -7.635 -3.406 1.00 0.00 O ATOM 110 CB THR A 9 6.933 -4.238 -3.335 1.00 0.00 C ATOM 111 OG1 THR A 9 6.221 -3.193 -4.013 1.00 0.00 O ATOM 112 CG2 THR A 9 8.294 -3.725 -2.884 1.00 0.00 C ATOM 0 H THR A 9 6.495 -4.092 -5.752 1.00 0.00 H new ATOM 0 HA THR A 9 8.108 -5.822 -4.230 1.00 0.00 H new ATOM 0 HB THR A 9 6.376 -4.551 -2.452 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.844 -2.679 -4.568 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.159 -2.870 -2.222 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.823 -4.516 -2.352 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.875 -3.422 -3.755 1.00 0.00 H new ATOM 120 N CYS A 10 4.851 -6.286 -3.919 1.00 0.00 N ATOM 121 CA CYS A 10 3.824 -7.241 -3.542 1.00 0.00 C ATOM 122 C CYS A 10 2.740 -7.254 -4.608 1.00 0.00 C ATOM 123 O CYS A 10 2.509 -6.235 -5.260 1.00 0.00 O ATOM 124 CB CYS A 10 3.231 -6.869 -2.179 1.00 0.00 C ATOM 125 SG CYS A 10 3.670 -5.190 -1.612 1.00 0.00 S ATOM 0 H CYS A 10 4.486 -5.397 -4.261 1.00 0.00 H new ATOM 0 HA CYS A 10 4.262 -8.236 -3.463 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.145 -6.951 -2.232 1.00 0.00 H new ATOM 0 HB3 CYS A 10 3.570 -7.592 -1.437 1.00 0.00 H new ATOM 130 N SER A 11 2.088 -8.401 -4.802 1.00 0.00 N ATOM 131 CA SER A 11 1.094 -8.549 -5.861 1.00 0.00 C ATOM 132 C SER A 11 0.403 -9.902 -5.755 1.00 0.00 C ATOM 133 O SER A 11 -0.244 -10.360 -6.695 1.00 0.00 O ATOM 134 CB SER A 11 1.750 -8.413 -7.245 1.00 0.00 C ATOM 135 OG SER A 11 3.155 -8.623 -7.177 1.00 0.00 O ATOM 0 H SER A 11 2.232 -9.239 -4.239 1.00 0.00 H new ATOM 0 HA SER A 11 0.354 -7.758 -5.742 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.306 -9.133 -7.932 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.548 -7.421 -7.649 1.00 0.00 H new ATOM 0 HG SER A 11 3.543 -8.532 -8.072 1.00 0.00 H new ATOM 141 N ILE A 12 0.536 -10.530 -4.596 1.00 0.00 N ATOM 142 CA ILE A 12 0.013 -11.871 -4.394 1.00 0.00 C ATOM 143 C ILE A 12 -1.485 -11.829 -4.128 1.00 0.00 C ATOM 144 O ILE A 12 -2.293 -11.863 -5.054 1.00 0.00 O ATOM 145 CB ILE A 12 0.717 -12.588 -3.219 1.00 0.00 C ATOM 146 CG1 ILE A 12 1.993 -11.844 -2.817 1.00 0.00 C ATOM 147 CG2 ILE A 12 1.034 -14.026 -3.593 1.00 0.00 C ATOM 148 CD1 ILE A 12 2.149 -11.683 -1.322 1.00 0.00 C ATOM 0 H ILE A 12 1.002 -10.131 -3.781 1.00 0.00 H new ATOM 0 HA ILE A 12 0.207 -12.430 -5.309 1.00 0.00 H new ATOM 0 HB ILE A 12 0.042 -12.592 -2.363 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.857 -12.381 -3.209 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.992 -10.859 -3.283 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.529 -14.519 -2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.109 -14.553 -3.829 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.691 -14.039 -4.463 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.074 -11.147 -1.108 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.304 -11.120 -0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.182 -12.666 -0.852 1.00 0.00 H new ATOM 160 N ASP A 13 -1.842 -11.730 -2.862 1.00 0.00 N ATOM 161 CA ASP A 13 -3.239 -11.706 -2.453 1.00 0.00 C ATOM 162 C ASP A 13 -3.803 -10.293 -2.502 1.00 0.00 C ATOM 163 O ASP A 13 -4.130 -9.712 -1.467 1.00 0.00 O ATOM 164 CB ASP A 13 -3.349 -12.257 -1.042 1.00 0.00 C ATOM 165 CG ASP A 13 -4.335 -13.399 -0.937 1.00 0.00 C ATOM 166 OD1 ASP A 13 -4.122 -14.432 -1.607 1.00 0.00 O ATOM 167 OD2 ASP A 13 -5.319 -13.279 -0.176 1.00 0.00 O ATOM 0 H ASP A 13 -1.179 -11.664 -2.090 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.817 -12.321 -3.143 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.368 -12.598 -0.712 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.652 -11.457 -0.367 1.00 0.00 H new ATOM 172 N ASP A 14 -3.904 -9.745 -3.713 1.00 0.00 N ATOM 173 CA ASP A 14 -4.372 -8.371 -3.920 1.00 0.00 C ATOM 174 C ASP A 14 -3.506 -7.380 -3.151 1.00 0.00 C ATOM 175 O ASP A 14 -3.959 -6.300 -2.766 1.00 0.00 O ATOM 176 CB ASP A 14 -5.840 -8.224 -3.502 1.00 0.00 C ATOM 177 CG ASP A 14 -6.662 -7.449 -4.515 1.00 0.00 C ATOM 178 OD1 ASP A 14 -6.094 -6.598 -5.235 1.00 0.00 O ATOM 179 OD2 ASP A 14 -7.886 -7.690 -4.601 1.00 0.00 O ATOM 0 H ASP A 14 -3.666 -10.236 -4.575 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.291 -8.150 -4.984 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.276 -9.214 -3.367 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.890 -7.719 -2.537 1.00 0.00 H new ATOM 184 N TYR A 15 -2.255 -7.762 -2.927 1.00 0.00 N ATOM 185 CA TYR A 15 -1.314 -6.919 -2.208 1.00 0.00 C ATOM 186 C TYR A 15 -0.589 -5.992 -3.170 1.00 0.00 C ATOM 187 O TYR A 15 -0.364 -6.345 -4.327 1.00 0.00 O ATOM 188 CB TYR A 15 -0.278 -7.765 -1.459 1.00 0.00 C ATOM 189 CG TYR A 15 -0.805 -8.463 -0.225 1.00 0.00 C ATOM 190 CD1 TYR A 15 -1.185 -7.741 0.894 1.00 0.00 C ATOM 191 CD2 TYR A 15 -0.906 -9.845 -0.179 1.00 0.00 C ATOM 192 CE1 TYR A 15 -1.654 -8.374 2.028 1.00 0.00 C ATOM 193 CE2 TYR A 15 -1.376 -10.486 0.952 1.00 0.00 C ATOM 194 CZ TYR A 15 -1.749 -9.745 2.052 1.00 0.00 C ATOM 195 OH TYR A 15 -2.215 -10.380 3.179 1.00 0.00 O ATOM 0 H TYR A 15 -1.869 -8.655 -3.235 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.883 -6.331 -1.488 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.121 -8.515 -2.142 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.554 -7.123 -1.169 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.113 -6.663 0.879 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.613 -10.429 -1.039 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.945 -7.795 2.892 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.451 -11.563 0.973 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.220 -11.349 3.030 1.00 0.00 H new ATOM 205 N LYS A 16 -0.231 -4.816 -2.688 1.00 0.00 N ATOM 206 CA LYS A 16 0.586 -3.885 -3.450 1.00 0.00 C ATOM 207 C LYS A 16 1.229 -2.886 -2.493 1.00 0.00 C ATOM 208 O LYS A 16 0.804 -2.781 -1.341 1.00 0.00 O ATOM 209 CB LYS A 16 -0.247 -3.171 -4.528 1.00 0.00 C ATOM 210 CG LYS A 16 -1.384 -2.315 -3.990 1.00 0.00 C ATOM 211 CD LYS A 16 -2.036 -1.511 -5.105 1.00 0.00 C ATOM 212 CE LYS A 16 -3.435 -1.050 -4.726 1.00 0.00 C ATOM 213 NZ LYS A 16 -4.283 -2.167 -4.233 1.00 0.00 N ATOM 0 H LYS A 16 -0.496 -4.479 -1.762 1.00 0.00 H new ATOM 0 HA LYS A 16 1.371 -4.436 -3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.415 -2.540 -5.121 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.662 -3.920 -5.202 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.129 -2.952 -3.513 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.004 -1.639 -3.224 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.418 -0.644 -5.337 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.086 -2.118 -6.009 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.366 -0.282 -3.956 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.911 -0.591 -5.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.166 -2.201 -4.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.772 -3.066 -4.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.506 -2.017 -3.228 1.00 0.00 H new ATOM 227 N PRO A 17 2.276 -2.165 -2.934 1.00 0.00 N ATOM 228 CA PRO A 17 2.977 -1.195 -2.087 1.00 0.00 C ATOM 229 C PRO A 17 2.049 -0.096 -1.580 1.00 0.00 C ATOM 230 O PRO A 17 1.298 0.510 -2.350 1.00 0.00 O ATOM 231 CB PRO A 17 4.047 -0.603 -3.010 1.00 0.00 C ATOM 232 CG PRO A 17 3.575 -0.915 -4.386 1.00 0.00 C ATOM 233 CD PRO A 17 2.864 -2.232 -4.279 1.00 0.00 C ATOM 0 HA PRO A 17 3.386 -1.665 -1.193 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.148 0.472 -2.860 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.025 -1.045 -2.817 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.907 -0.138 -4.757 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.411 -0.976 -5.083 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.102 -2.346 -5.050 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.550 -3.073 -4.381 1.00 0.00 H new ATOM 241 N TYR A 18 2.102 0.144 -0.283 1.00 0.00 N ATOM 242 CA TYR A 18 1.261 1.142 0.345 1.00 0.00 C ATOM 243 C TYR A 18 2.091 2.047 1.255 1.00 0.00 C ATOM 244 O TYR A 18 2.889 1.568 2.059 1.00 0.00 O ATOM 245 CB TYR A 18 0.169 0.453 1.161 1.00 0.00 C ATOM 246 CG TYR A 18 -1.093 0.149 0.385 1.00 0.00 C ATOM 247 CD1 TYR A 18 -2.005 1.150 0.079 1.00 0.00 C ATOM 248 CD2 TYR A 18 -1.376 -1.145 -0.020 1.00 0.00 C ATOM 249 CE1 TYR A 18 -3.158 0.868 -0.626 1.00 0.00 C ATOM 250 CE2 TYR A 18 -2.526 -1.435 -0.726 1.00 0.00 C ATOM 251 CZ TYR A 18 -3.418 -0.429 -1.019 1.00 0.00 C ATOM 252 OH TYR A 18 -4.567 -0.717 -1.724 1.00 0.00 O ATOM 0 H TYR A 18 2.725 -0.344 0.360 1.00 0.00 H new ATOM 0 HA TYR A 18 0.804 1.754 -0.433 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.567 -0.479 1.564 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.085 1.085 2.012 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.810 2.164 0.397 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.686 -1.940 0.221 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.853 1.658 -0.869 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.725 -2.447 -1.047 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.826 0.062 -2.260 1.00 0.00 H new ATOM 262 N CYS A 19 1.900 3.350 1.123 1.00 0.00 N ATOM 263 CA CYS A 19 2.607 4.316 1.957 1.00 0.00 C ATOM 264 C CYS A 19 1.765 4.685 3.172 1.00 0.00 C ATOM 265 O CYS A 19 0.916 5.573 3.099 1.00 0.00 O ATOM 266 CB CYS A 19 2.938 5.578 1.157 1.00 0.00 C ATOM 267 SG CYS A 19 4.488 5.477 0.207 1.00 0.00 S ATOM 0 H CYS A 19 1.261 3.766 0.446 1.00 0.00 H new ATOM 0 HA CYS A 19 3.537 3.858 2.293 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.117 5.784 0.470 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.000 6.423 1.843 1.00 0.00 H new ATOM 272 N CYS A 20 1.985 3.987 4.274 1.00 0.00 N ATOM 273 CA CYS A 20 1.255 4.252 5.503 1.00 0.00 C ATOM 274 C CYS A 20 1.928 5.365 6.287 1.00 0.00 C ATOM 275 O CYS A 20 3.030 5.193 6.813 1.00 0.00 O ATOM 276 CB CYS A 20 1.151 2.987 6.351 1.00 0.00 C ATOM 277 SG CYS A 20 -0.297 1.959 5.957 1.00 0.00 S ATOM 0 H CYS A 20 2.665 3.230 4.343 1.00 0.00 H new ATOM 0 HA CYS A 20 0.246 4.572 5.243 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.055 2.393 6.214 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.110 3.268 7.403 1.00 0.00 H new ATOM 282 N GLN A 21 1.255 6.501 6.357 1.00 0.00 N ATOM 283 CA GLN A 21 1.799 7.678 7.006 1.00 0.00 C ATOM 284 C GLN A 21 1.536 7.640 8.506 1.00 0.00 C ATOM 285 O GLN A 21 0.667 8.347 9.016 1.00 0.00 O ATOM 286 CB GLN A 21 1.198 8.942 6.389 1.00 0.00 C ATOM 287 CG GLN A 21 1.505 9.090 4.907 1.00 0.00 C ATOM 288 CD GLN A 21 0.297 9.527 4.099 1.00 0.00 C ATOM 289 OE1 GLN A 21 0.250 10.646 3.587 1.00 0.00 O ATOM 290 NE2 GLN A 21 -0.687 8.650 3.971 1.00 0.00 N ATOM 0 H GLN A 21 0.321 6.632 5.967 1.00 0.00 H new ATOM 0 HA GLN A 21 2.878 7.690 6.853 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.117 8.929 6.530 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.578 9.814 6.921 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.306 9.817 4.777 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.872 8.139 4.519 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.612 7.732 4.410 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.519 8.892 3.434 1.00 0.00 H new ATOM 299 N SER A 22 2.272 6.785 9.197 1.00 0.00 N ATOM 300 CA SER A 22 2.189 6.690 10.642 1.00 0.00 C ATOM 301 C SER A 22 2.833 7.915 11.284 1.00 0.00 C ATOM 302 O SER A 22 4.054 8.087 11.231 1.00 0.00 O ATOM 303 CB SER A 22 2.884 5.411 11.110 1.00 0.00 C ATOM 304 OG SER A 22 3.307 4.636 9.995 1.00 0.00 O ATOM 0 H SER A 22 2.940 6.141 8.773 1.00 0.00 H new ATOM 0 HA SER A 22 1.142 6.654 10.944 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.743 5.664 11.731 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.204 4.826 11.729 1.00 0.00 H new ATOM 0 HG SER A 22 4.286 4.601 9.974 1.00 0.00 H new ATOM 310 N MET A 23 2.005 8.766 11.876 1.00 0.00 N ATOM 311 CA MET A 23 2.481 10.000 12.488 1.00 0.00 C ATOM 312 C MET A 23 3.091 9.710 13.851 1.00 0.00 C ATOM 313 O MET A 23 4.048 10.362 14.268 1.00 0.00 O ATOM 314 CB MET A 23 1.335 11.011 12.642 1.00 0.00 C ATOM 315 CG MET A 23 0.135 10.729 11.749 1.00 0.00 C ATOM 316 SD MET A 23 -1.036 9.582 12.504 1.00 0.00 S ATOM 317 CE MET A 23 -2.025 9.114 11.083 1.00 0.00 C ATOM 0 H MET A 23 0.997 8.624 11.945 1.00 0.00 H new ATOM 0 HA MET A 23 3.241 10.429 11.836 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.007 11.017 13.682 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.713 12.009 12.421 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.374 11.666 11.523 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.481 10.318 10.801 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.932 8.613 11.420 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.292 10.006 10.516 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.452 8.438 10.448 1.00 0.00 H new ATOM 327 N SER A 24 2.528 8.725 14.537 1.00 0.00 N ATOM 328 CA SER A 24 3.011 8.317 15.846 1.00 0.00 C ATOM 329 C SER A 24 2.443 6.944 16.204 1.00 0.00 C ATOM 330 O SER A 24 2.791 5.941 15.576 1.00 0.00 O ATOM 331 CB SER A 24 2.624 9.363 16.895 1.00 0.00 C ATOM 332 OG SER A 24 1.392 9.985 16.564 1.00 0.00 O ATOM 0 H SER A 24 1.727 8.189 14.202 1.00 0.00 H new ATOM 0 HA SER A 24 4.098 8.243 15.825 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.545 8.890 17.874 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.408 10.117 16.968 1.00 0.00 H new ATOM 0 HG SER A 24 1.165 10.648 17.250 1.00 0.00 H new ATOM 338 N GLY A 25 1.553 6.907 17.189 1.00 0.00 N ATOM 339 CA GLY A 25 0.910 5.666 17.568 1.00 0.00 C ATOM 340 C GLY A 25 -0.347 5.426 16.761 1.00 0.00 C ATOM 341 O GLY A 25 -1.450 5.732 17.211 1.00 0.00 O ATOM 0 H GLY A 25 1.265 7.720 17.734 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.602 4.837 17.422 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.663 5.692 18.629 1.00 0.00 H new ATOM 345 N SER A 26 -0.179 4.898 15.560 1.00 0.00 N ATOM 346 CA SER A 26 -1.301 4.673 14.664 1.00 0.00 C ATOM 347 C SER A 26 -1.496 3.184 14.389 1.00 0.00 C ATOM 348 O SER A 26 -0.659 2.543 13.751 1.00 0.00 O ATOM 349 CB SER A 26 -1.068 5.435 13.358 1.00 0.00 C ATOM 350 OG SER A 26 -0.179 6.522 13.563 1.00 0.00 O ATOM 0 H SER A 26 0.726 4.617 15.182 1.00 0.00 H new ATOM 0 HA SER A 26 -2.210 5.041 15.140 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.658 4.761 12.606 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.018 5.804 12.972 1.00 0.00 H new ATOM 0 HG SER A 26 -0.581 7.344 13.212 1.00 0.00 H new ATOM 356 N ALA A 27 -2.597 2.638 14.888 1.00 0.00 N ATOM 357 CA ALA A 27 -2.937 1.244 14.646 1.00 0.00 C ATOM 358 C ALA A 27 -3.560 1.100 13.266 1.00 0.00 C ATOM 359 O ALA A 27 -3.124 0.288 12.450 1.00 0.00 O ATOM 360 CB ALA A 27 -3.886 0.733 15.715 1.00 0.00 C ATOM 0 H ALA A 27 -3.271 3.142 15.464 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.027 0.646 14.688 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.129 -0.311 15.517 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.411 0.816 16.693 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.800 1.326 15.704 1.00 0.00 H new ATOM 366 N SER A 28 -4.582 1.901 13.011 1.00 0.00 N ATOM 367 CA SER A 28 -5.175 1.980 11.694 1.00 0.00 C ATOM 368 C SER A 28 -4.386 2.980 10.858 1.00 0.00 C ATOM 369 O SER A 28 -4.595 4.192 10.942 1.00 0.00 O ATOM 370 CB SER A 28 -6.640 2.395 11.803 1.00 0.00 C ATOM 371 OG SER A 28 -7.292 1.678 12.841 1.00 0.00 O ATOM 0 H SER A 28 -5.017 2.507 13.706 1.00 0.00 H new ATOM 0 HA SER A 28 -5.139 1.004 11.210 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.706 3.465 11.998 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.146 2.212 10.855 1.00 0.00 H new ATOM 0 HG SER A 28 -7.106 0.721 12.744 1.00 0.00 H new ATOM 377 N LEU A 29 -3.469 2.459 10.064 1.00 0.00 N ATOM 378 CA LEU A 29 -2.509 3.287 9.355 1.00 0.00 C ATOM 379 C LEU A 29 -3.096 3.843 8.062 1.00 0.00 C ATOM 380 O LEU A 29 -3.796 3.138 7.328 1.00 0.00 O ATOM 381 CB LEU A 29 -1.239 2.486 9.058 1.00 0.00 C ATOM 382 CG LEU A 29 -1.175 1.084 9.681 1.00 0.00 C ATOM 383 CD1 LEU A 29 -1.218 0.010 8.602 1.00 0.00 C ATOM 384 CD2 LEU A 29 0.078 0.937 10.529 1.00 0.00 C ATOM 0 H LEU A 29 -3.368 1.459 9.893 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.259 4.132 9.997 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.138 2.388 7.977 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.380 3.059 9.408 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.046 0.956 10.323 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.171 -0.975 9.067 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.145 0.100 8.035 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.369 0.135 7.930 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.108 -0.062 10.963 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.959 1.088 9.905 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.066 1.679 11.327 1.00 0.00 H new ATOM 396 N GLY A 30 -2.813 5.115 7.800 1.00 0.00 N ATOM 397 CA GLY A 30 -3.279 5.756 6.587 1.00 0.00 C ATOM 398 C GLY A 30 -2.339 5.514 5.423 1.00 0.00 C ATOM 399 O GLY A 30 -1.346 6.227 5.257 1.00 0.00 O ATOM 0 H GLY A 30 -2.264 5.717 8.414 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.271 5.381 6.336 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.377 6.828 6.758 1.00 0.00 H new ATOM 403 N CYS A 31 -2.641 4.498 4.636 1.00 0.00 N ATOM 404 CA CYS A 31 -1.813 4.116 3.508 1.00 0.00 C ATOM 405 C CYS A 31 -2.323 4.724 2.202 1.00 0.00 C ATOM 406 O CYS A 31 -3.519 4.963 2.036 1.00 0.00 O ATOM 407 CB CYS A 31 -1.793 2.593 3.389 1.00 0.00 C ATOM 408 SG CYS A 31 -0.242 1.814 3.941 1.00 0.00 S ATOM 0 H CYS A 31 -3.468 3.914 4.761 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.806 4.495 3.683 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.618 2.185 3.973 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.972 2.320 2.349 1.00 0.00 H new ATOM 413 N VAL A 32 -1.397 4.992 1.291 1.00 0.00 N ATOM 414 CA VAL A 32 -1.733 5.393 -0.069 1.00 0.00 C ATOM 415 C VAL A 32 -0.999 4.484 -1.050 1.00 0.00 C ATOM 416 O VAL A 32 -0.051 3.803 -0.660 1.00 0.00 O ATOM 417 CB VAL A 32 -1.368 6.868 -0.359 1.00 0.00 C ATOM 418 CG1 VAL A 32 -2.534 7.785 -0.024 1.00 0.00 C ATOM 419 CG2 VAL A 32 -0.122 7.287 0.406 1.00 0.00 C ATOM 0 H VAL A 32 -0.395 4.938 1.473 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.813 5.299 -0.186 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.153 6.956 -1.424 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.257 8.818 -0.235 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.398 7.510 -0.629 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.784 7.685 1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.110 8.328 0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.298 7.177 1.476 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.716 6.657 0.109 1.00 0.00 H new ATOM 429 N VAL A 33 -1.425 4.465 -2.305 1.00 0.00 N ATOM 430 CA VAL A 33 -0.836 3.566 -3.293 1.00 0.00 C ATOM 431 C VAL A 33 0.598 3.969 -3.620 1.00 0.00 C ATOM 432 O VAL A 33 0.872 5.132 -3.927 1.00 0.00 O ATOM 433 CB VAL A 33 -1.661 3.525 -4.597 1.00 0.00 C ATOM 434 CG1 VAL A 33 -1.025 2.581 -5.614 1.00 0.00 C ATOM 435 CG2 VAL A 33 -3.100 3.116 -4.308 1.00 0.00 C ATOM 0 H VAL A 33 -2.173 5.058 -2.664 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.839 2.571 -2.847 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.669 4.527 -5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.625 2.569 -6.524 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.017 2.924 -5.848 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.979 1.575 -5.197 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.666 3.093 -5.239 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.112 2.126 -3.851 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.553 3.836 -3.626 1.00 0.00 H new ATOM 445 N GLY A 34 1.508 3.005 -3.536 1.00 0.00 N ATOM 446 CA GLY A 34 2.891 3.249 -3.883 1.00 0.00 C ATOM 447 C GLY A 34 3.056 3.602 -5.345 1.00 0.00 C ATOM 448 O GLY A 34 2.870 2.755 -6.220 1.00 0.00 O ATOM 0 H GLY A 34 1.308 2.052 -3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.281 4.060 -3.268 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.483 2.363 -3.655 1.00 0.00 H new ATOM 452 N VAL A 35 3.407 4.851 -5.615 1.00 0.00 N ATOM 453 CA VAL A 35 3.555 5.324 -6.981 1.00 0.00 C ATOM 454 C VAL A 35 4.896 4.890 -7.560 1.00 0.00 C ATOM 455 O VAL A 35 5.947 5.099 -6.949 1.00 0.00 O ATOM 456 CB VAL A 35 3.431 6.861 -7.085 1.00 0.00 C ATOM 457 CG1 VAL A 35 2.599 7.243 -8.297 1.00 0.00 C ATOM 458 CG2 VAL A 35 2.831 7.456 -5.817 1.00 0.00 C ATOM 0 H VAL A 35 3.595 5.556 -4.902 1.00 0.00 H new ATOM 0 HA VAL A 35 2.743 4.877 -7.554 1.00 0.00 H new ATOM 0 HB VAL A 35 4.434 7.271 -7.203 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.521 8.329 -8.357 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.076 6.863 -9.200 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.602 6.812 -8.205 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.757 8.538 -5.923 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.837 7.039 -5.654 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.469 7.217 -4.966 1.00 0.00 H new ATOM 468 N ILE A 36 4.844 4.285 -8.742 1.00 0.00 N ATOM 469 CA ILE A 36 6.038 3.783 -9.420 1.00 0.00 C ATOM 470 C ILE A 36 7.054 4.896 -9.646 1.00 0.00 C ATOM 471 O ILE A 36 6.723 5.952 -10.187 1.00 0.00 O ATOM 472 CB ILE A 36 5.699 3.144 -10.791 1.00 0.00 C ATOM 473 CG1 ILE A 36 4.368 2.388 -10.740 1.00 0.00 C ATOM 474 CG2 ILE A 36 6.817 2.207 -11.229 1.00 0.00 C ATOM 475 CD1 ILE A 36 3.184 3.192 -11.235 1.00 0.00 C ATOM 0 H ILE A 36 3.978 4.128 -9.257 1.00 0.00 H new ATOM 0 HA ILE A 36 6.462 3.022 -8.765 1.00 0.00 H new ATOM 0 HB ILE A 36 5.602 3.949 -11.519 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.454 1.481 -11.338 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.178 2.076 -9.713 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.565 1.766 -12.193 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.747 2.768 -11.319 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.940 1.416 -10.489 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.280 2.587 -11.167 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.070 4.086 -10.622 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.349 3.482 -12.273 1.00 0.00 H new ATOM 487 N GLY A 37 8.283 4.664 -9.209 1.00 0.00 N ATOM 488 CA GLY A 37 9.349 5.621 -9.437 1.00 0.00 C ATOM 489 C GLY A 37 9.292 6.800 -8.488 1.00 0.00 C ATOM 490 O GLY A 37 9.928 7.825 -8.720 1.00 0.00 O ATOM 0 H GLY A 37 8.563 3.827 -8.698 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.311 5.119 -9.329 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.292 5.983 -10.463 1.00 0.00 H new ATOM 494 N SER A 38 8.527 6.661 -7.419 1.00 0.00 N ATOM 495 CA SER A 38 8.418 7.716 -6.423 1.00 0.00 C ATOM 496 C SER A 38 8.924 7.212 -5.078 1.00 0.00 C ATOM 497 O SER A 38 9.057 6.006 -4.877 1.00 0.00 O ATOM 498 CB SER A 38 6.969 8.188 -6.324 1.00 0.00 C ATOM 499 OG SER A 38 6.301 8.013 -7.563 1.00 0.00 O ATOM 0 H SER A 38 7.972 5.829 -7.217 1.00 0.00 H new ATOM 0 HA SER A 38 9.033 8.565 -6.722 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.452 7.630 -5.544 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.942 9.239 -6.035 1.00 0.00 H new ATOM 0 HG SER A 38 5.595 8.687 -7.652 1.00 0.00 H new ATOM 505 N GLN A 39 9.214 8.130 -4.167 1.00 0.00 N ATOM 506 CA GLN A 39 9.792 7.768 -2.882 1.00 0.00 C ATOM 507 C GLN A 39 8.738 7.791 -1.787 1.00 0.00 C ATOM 508 O GLN A 39 7.702 8.446 -1.919 1.00 0.00 O ATOM 509 CB GLN A 39 10.935 8.720 -2.519 1.00 0.00 C ATOM 510 CG GLN A 39 11.641 9.315 -3.726 1.00 0.00 C ATOM 511 CD GLN A 39 12.779 8.453 -4.225 1.00 0.00 C ATOM 512 OE1 GLN A 39 13.079 7.407 -3.657 1.00 0.00 O ATOM 513 NE2 GLN A 39 13.418 8.888 -5.298 1.00 0.00 N ATOM 0 H GLN A 39 9.058 9.130 -4.294 1.00 0.00 H new ATOM 0 HA GLN A 39 10.186 6.755 -2.967 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.541 9.529 -1.904 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.663 8.184 -1.911 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.919 9.456 -4.530 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.026 10.301 -3.466 1.00 0.00 H new ATOM 0 HE21 GLN A 39 13.136 9.763 -5.740 1.00 0.00 H new ATOM 0 HE22 GLN A 39 14.193 8.348 -5.684 1.00 0.00 H new ATOM 522 N CYS A 40 8.997 7.062 -0.719 1.00 0.00 N ATOM 523 CA CYS A 40 8.123 7.065 0.439 1.00 0.00 C ATOM 524 C CYS A 40 8.901 7.468 1.683 1.00 0.00 C ATOM 525 O CYS A 40 9.929 6.869 2.000 1.00 0.00 O ATOM 526 CB CYS A 40 7.482 5.691 0.644 1.00 0.00 C ATOM 527 SG CYS A 40 5.933 5.734 1.607 1.00 0.00 S ATOM 0 H CYS A 40 9.812 6.455 -0.629 1.00 0.00 H new ATOM 0 HA CYS A 40 7.329 7.791 0.264 1.00 0.00 H new ATOM 0 HB2 CYS A 40 7.280 5.246 -0.330 1.00 0.00 H new ATOM 0 HB3 CYS A 40 8.195 5.040 1.150 1.00 0.00 H new ATOM 532 N GLY A 41 8.412 8.489 2.372 1.00 0.00 N ATOM 533 CA GLY A 41 9.053 8.938 3.591 1.00 0.00 C ATOM 534 C GLY A 41 8.421 8.317 4.820 1.00 0.00 C ATOM 535 O GLY A 41 8.738 8.688 5.951 1.00 0.00 O ATOM 0 H GLY A 41 7.580 9.016 2.107 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.113 8.684 3.559 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.987 10.024 3.658 1.00 0.00 H new ATOM 539 N ALA A 42 7.520 7.372 4.593 1.00 0.00 N ATOM 540 CA ALA A 42 6.840 6.684 5.673 1.00 0.00 C ATOM 541 C ALA A 42 7.023 5.179 5.529 1.00 0.00 C ATOM 542 O ALA A 42 7.869 4.722 4.759 1.00 0.00 O ATOM 543 CB ALA A 42 5.364 7.057 5.686 1.00 0.00 C ATOM 0 H ALA A 42 7.243 7.065 3.661 1.00 0.00 H new ATOM 0 HA ALA A 42 7.275 6.992 6.624 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.864 6.534 6.501 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.262 8.133 5.828 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.908 6.771 4.738 1.00 0.00 H new ATOM 549 N SER A 43 6.236 4.415 6.268 1.00 0.00 N ATOM 550 CA SER A 43 6.320 2.966 6.233 1.00 0.00 C ATOM 551 C SER A 43 5.728 2.414 4.937 1.00 0.00 C ATOM 552 O SER A 43 4.547 2.629 4.641 1.00 0.00 O ATOM 553 CB SER A 43 5.581 2.384 7.439 1.00 0.00 C ATOM 554 OG SER A 43 5.156 3.417 8.316 1.00 0.00 O ATOM 0 H SER A 43 5.526 4.779 6.904 1.00 0.00 H new ATOM 0 HA SER A 43 7.370 2.676 6.273 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.718 1.810 7.100 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.234 1.693 7.973 1.00 0.00 H new ATOM 0 HG SER A 43 4.224 3.263 8.576 1.00 0.00 H new ATOM 560 N VAL A 44 6.556 1.719 4.165 1.00 0.00 N ATOM 561 CA VAL A 44 6.103 1.073 2.941 1.00 0.00 C ATOM 562 C VAL A 44 5.567 -0.312 3.266 1.00 0.00 C ATOM 563 O VAL A 44 6.332 -1.236 3.534 1.00 0.00 O ATOM 564 CB VAL A 44 7.233 0.947 1.897 1.00 0.00 C ATOM 565 CG1 VAL A 44 6.670 0.539 0.543 1.00 0.00 C ATOM 566 CG2 VAL A 44 8.006 2.250 1.780 1.00 0.00 C ATOM 0 H VAL A 44 7.547 1.589 4.367 1.00 0.00 H new ATOM 0 HA VAL A 44 5.319 1.697 2.512 1.00 0.00 H new ATOM 0 HB VAL A 44 7.920 0.170 2.233 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.483 0.456 -0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.165 -0.423 0.634 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.959 1.292 0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.797 2.138 1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.330 3.048 1.472 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.446 2.500 2.745 1.00 0.00 H new ATOM 576 N LYS A 45 4.253 -0.440 3.261 1.00 0.00 N ATOM 577 CA LYS A 45 3.604 -1.684 3.642 1.00 0.00 C ATOM 578 C LYS A 45 3.136 -2.452 2.416 1.00 0.00 C ATOM 579 O LYS A 45 3.057 -1.903 1.316 1.00 0.00 O ATOM 580 CB LYS A 45 2.406 -1.401 4.556 1.00 0.00 C ATOM 581 CG LYS A 45 2.690 -0.381 5.643 1.00 0.00 C ATOM 582 CD LYS A 45 2.590 -1.002 7.025 1.00 0.00 C ATOM 583 CE LYS A 45 3.958 -1.362 7.571 1.00 0.00 C ATOM 584 NZ LYS A 45 3.916 -2.584 8.408 1.00 0.00 N ATOM 0 H LYS A 45 3.610 0.306 2.996 1.00 0.00 H new ATOM 0 HA LYS A 45 4.333 -2.291 4.178 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.573 -1.047 3.948 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.088 -2.334 5.021 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.687 0.036 5.501 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.984 0.446 5.562 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.098 -0.305 7.704 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.968 -1.896 6.980 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.651 -1.513 6.743 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.343 -0.531 8.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.801 -2.665 8.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.112 -2.527 9.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.806 -3.419 7.798 1.00 0.00 H new ATOM 598 N CYS A 46 2.832 -3.721 2.618 1.00 0.00 N ATOM 599 CA CYS A 46 2.261 -4.550 1.572 1.00 0.00 C ATOM 600 C CYS A 46 0.862 -4.973 1.986 1.00 0.00 C ATOM 601 O CYS A 46 0.682 -6.018 2.617 1.00 0.00 O ATOM 602 CB CYS A 46 3.130 -5.784 1.313 1.00 0.00 C ATOM 603 SG CYS A 46 4.541 -5.487 0.198 1.00 0.00 S ATOM 0 H CYS A 46 2.973 -4.204 3.505 1.00 0.00 H new ATOM 0 HA CYS A 46 2.216 -3.974 0.648 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.507 -6.155 2.266 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.506 -6.571 0.889 1.00 0.00 H new ATOM 608 N CYS A 47 -0.123 -4.156 1.641 1.00 0.00 N ATOM 609 CA CYS A 47 -1.489 -4.377 2.095 1.00 0.00 C ATOM 610 C CYS A 47 -2.398 -4.748 0.934 1.00 0.00 C ATOM 611 O CYS A 47 -2.046 -4.560 -0.231 1.00 0.00 O ATOM 612 CB CYS A 47 -2.019 -3.131 2.804 1.00 0.00 C ATOM 613 SG CYS A 47 -0.969 -2.550 4.173 1.00 0.00 S ATOM 0 H CYS A 47 -0.002 -3.335 1.049 1.00 0.00 H new ATOM 0 HA CYS A 47 -1.481 -5.209 2.799 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.123 -2.328 2.074 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.016 -3.342 3.190 1.00 0.00 H new ATOM 618 N LYS A 48 -3.559 -5.296 1.266 1.00 0.00 N ATOM 619 CA LYS A 48 -4.534 -5.704 0.267 1.00 0.00 C ATOM 620 C LYS A 48 -5.366 -4.519 -0.197 1.00 0.00 C ATOM 621 O LYS A 48 -5.301 -3.427 0.370 1.00 0.00 O ATOM 622 CB LYS A 48 -5.484 -6.760 0.842 1.00 0.00 C ATOM 623 CG LYS A 48 -4.820 -8.080 1.192 1.00 0.00 C ATOM 624 CD LYS A 48 -5.629 -8.851 2.220 1.00 0.00 C ATOM 625 CE LYS A 48 -6.942 -9.347 1.639 1.00 0.00 C ATOM 626 NZ LYS A 48 -8.025 -9.385 2.657 1.00 0.00 N ATOM 0 H LYS A 48 -3.849 -5.469 2.228 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.981 -6.117 -0.576 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.956 -6.357 1.738 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.279 -6.948 0.120 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.706 -8.682 0.291 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.819 -7.894 1.580 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.047 -9.699 2.581 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.829 -8.212 3.080 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.242 -8.699 0.816 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.800 -10.345 1.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.944 -9.496 2.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.868 -10.187 3.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.022 -8.499 3.201 1.00 0.00 H new ATOM 640 N ASP A 49 -6.155 -4.752 -1.234 1.00 0.00 N ATOM 641 CA ASP A 49 -7.175 -3.804 -1.651 1.00 0.00 C ATOM 642 C ASP A 49 -8.479 -4.133 -0.937 1.00 0.00 C ATOM 643 O ASP A 49 -9.542 -4.241 -1.553 1.00 0.00 O ATOM 644 CB ASP A 49 -7.374 -3.851 -3.166 1.00 0.00 C ATOM 645 CG ASP A 49 -7.458 -2.468 -3.779 1.00 0.00 C ATOM 646 OD1 ASP A 49 -8.101 -1.582 -3.183 1.00 0.00 O ATOM 647 OD2 ASP A 49 -6.872 -2.263 -4.863 1.00 0.00 O ATOM 0 H ASP A 49 -6.107 -5.596 -1.805 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.856 -2.796 -1.387 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.549 -4.398 -3.622 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.286 -4.403 -3.393 1.00 0.00 H new ATOM 652 N ASP A 50 -8.375 -4.307 0.370 1.00 0.00 N ATOM 653 CA ASP A 50 -9.496 -4.715 1.196 1.00 0.00 C ATOM 654 C ASP A 50 -9.500 -3.887 2.471 1.00 0.00 C ATOM 655 O ASP A 50 -8.513 -3.855 3.209 1.00 0.00 O ATOM 656 CB ASP A 50 -9.411 -6.223 1.495 1.00 0.00 C ATOM 657 CG ASP A 50 -9.665 -6.589 2.949 1.00 0.00 C ATOM 658 OD1 ASP A 50 -10.826 -6.500 3.398 1.00 0.00 O ATOM 659 OD2 ASP A 50 -8.703 -7.008 3.634 1.00 0.00 O ATOM 0 H ASP A 50 -7.508 -4.169 0.888 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.434 -4.540 0.669 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.134 -6.747 0.869 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.422 -6.583 1.209 1.00 0.00 H new ATOM 664 N VAL A 51 -10.594 -3.180 2.698 1.00 0.00 N ATOM 665 CA VAL A 51 -10.692 -2.265 3.822 1.00 0.00 C ATOM 666 C VAL A 51 -12.105 -2.225 4.384 1.00 0.00 C ATOM 667 O VAL A 51 -13.054 -1.835 3.699 1.00 0.00 O ATOM 668 CB VAL A 51 -10.262 -0.832 3.435 1.00 0.00 C ATOM 669 CG1 VAL A 51 -8.833 -0.562 3.878 1.00 0.00 C ATOM 670 CG2 VAL A 51 -10.410 -0.602 1.935 1.00 0.00 C ATOM 0 H VAL A 51 -11.430 -3.223 2.116 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.012 -2.643 4.586 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.921 -0.133 3.951 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.550 0.452 3.596 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.761 -0.671 4.960 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.162 -1.273 3.396 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.101 0.414 1.690 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.784 -1.312 1.395 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.451 -0.744 1.646 1.00 0.00 H new ATOM 680 N THR A 52 -12.238 -2.632 5.634 1.00 0.00 N ATOM 681 CA THR A 52 -13.524 -2.622 6.313 1.00 0.00 C ATOM 682 C THR A 52 -13.549 -1.575 7.425 1.00 0.00 C ATOM 683 O THR A 52 -14.579 -1.356 8.066 1.00 0.00 O ATOM 684 CB THR A 52 -13.838 -4.004 6.909 1.00 0.00 C ATOM 685 OG1 THR A 52 -12.945 -4.983 6.354 1.00 0.00 O ATOM 686 CG2 THR A 52 -15.276 -4.408 6.624 1.00 0.00 C ATOM 0 H THR A 52 -11.465 -2.976 6.204 1.00 0.00 H new ATOM 0 HA THR A 52 -14.282 -2.370 5.572 1.00 0.00 H new ATOM 0 HB THR A 52 -13.703 -3.950 7.989 1.00 0.00 H new ATOM 0 HG1 THR A 52 -13.146 -5.863 6.736 1.00 0.00 H new ATOM 0 HG21 THR A 52 -15.471 -5.389 7.057 1.00 0.00 H new ATOM 0 HG22 THR A 52 -15.954 -3.676 7.064 1.00 0.00 H new ATOM 0 HG23 THR A 52 -15.436 -4.448 5.547 1.00 0.00 H new ATOM 694 N ASN A 53 -12.413 -0.921 7.648 1.00 0.00 N ATOM 695 CA ASN A 53 -12.290 0.046 8.737 1.00 0.00 C ATOM 696 C ASN A 53 -11.886 1.430 8.226 1.00 0.00 C ATOM 697 O ASN A 53 -11.444 2.280 8.996 1.00 0.00 O ATOM 698 CB ASN A 53 -11.278 -0.445 9.781 1.00 0.00 C ATOM 699 CG ASN A 53 -9.835 -0.326 9.319 1.00 0.00 C ATOM 700 OD1 ASN A 53 -9.392 -1.052 8.427 1.00 0.00 O ATOM 701 ND2 ASN A 53 -9.091 0.588 9.925 1.00 0.00 N ATOM 0 H ASN A 53 -11.566 -1.041 7.092 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.271 0.136 9.203 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -11.407 0.127 10.700 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -11.491 -1.487 10.022 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.114 0.710 9.657 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.495 1.170 10.659 1.00 0.00 H new ATOM 708 N THR A 54 -12.052 1.655 6.932 1.00 0.00 N ATOM 709 CA THR A 54 -11.712 2.942 6.336 1.00 0.00 C ATOM 710 C THR A 54 -12.978 3.747 6.044 1.00 0.00 C ATOM 711 O THR A 54 -14.085 3.203 6.067 1.00 0.00 O ATOM 712 CB THR A 54 -10.892 2.761 5.037 1.00 0.00 C ATOM 713 OG1 THR A 54 -10.275 4.000 4.658 1.00 0.00 O ATOM 714 CG2 THR A 54 -11.763 2.251 3.897 1.00 0.00 C ATOM 0 H THR A 54 -12.419 0.967 6.274 1.00 0.00 H new ATOM 0 HA THR A 54 -11.099 3.487 7.054 1.00 0.00 H new ATOM 0 HB THR A 54 -10.119 2.019 5.236 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.893 3.914 3.760 1.00 0.00 H new ATOM 0 HG21 THR A 54 -11.156 2.135 2.999 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.194 1.288 4.171 1.00 0.00 H new ATOM 0 HG23 THR A 54 -12.564 2.965 3.704 1.00 0.00 H new ATOM 722 N GLY A 55 -12.821 5.037 5.780 1.00 0.00 N ATOM 723 CA GLY A 55 -13.970 5.866 5.481 1.00 0.00 C ATOM 724 C GLY A 55 -13.599 7.313 5.240 1.00 0.00 C ATOM 725 O GLY A 55 -14.173 8.216 5.848 1.00 0.00 O ATOM 0 H GLY A 55 -11.924 5.522 5.768 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.477 5.473 4.599 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -14.679 5.810 6.307 1.00 0.00 H new ATOM 729 N ASN A 56 -12.641 7.535 4.351 1.00 0.00 N ATOM 730 CA ASN A 56 -12.200 8.888 4.029 1.00 0.00 C ATOM 731 C ASN A 56 -11.330 8.892 2.775 1.00 0.00 C ATOM 732 O ASN A 56 -11.388 7.960 1.970 1.00 0.00 O ATOM 733 CB ASN A 56 -11.454 9.527 5.210 1.00 0.00 C ATOM 734 CG ASN A 56 -10.211 8.764 5.625 1.00 0.00 C ATOM 735 OD1 ASN A 56 -9.137 8.949 5.057 1.00 0.00 O ATOM 736 ND2 ASN A 56 -10.343 7.919 6.632 1.00 0.00 N ATOM 0 H ASN A 56 -12.154 6.799 3.840 1.00 0.00 H new ATOM 0 HA ASN A 56 -13.088 9.488 3.831 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -11.173 10.546 4.943 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -12.130 9.595 6.062 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.536 7.392 6.965 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -11.252 7.794 7.077 1.00 0.00 H new ATOM 743 N SER A 57 -10.511 9.926 2.628 1.00 0.00 N ATOM 744 CA SER A 57 -9.741 10.144 1.412 1.00 0.00 C ATOM 745 C SER A 57 -8.509 9.239 1.343 1.00 0.00 C ATOM 746 O SER A 57 -7.922 9.057 0.274 1.00 0.00 O ATOM 747 CB SER A 57 -9.311 11.606 1.365 1.00 0.00 C ATOM 748 OG SER A 57 -9.635 12.256 2.586 1.00 0.00 O ATOM 0 H SER A 57 -10.363 10.635 3.347 1.00 0.00 H new ATOM 0 HA SER A 57 -10.370 9.899 0.556 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.238 11.671 1.185 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.805 12.111 0.535 1.00 0.00 H new ATOM 0 HG SER A 57 -9.352 13.193 2.543 1.00 0.00 H new ATOM 754 N GLY A 58 -8.111 8.688 2.477 1.00 0.00 N ATOM 755 CA GLY A 58 -6.973 7.794 2.508 1.00 0.00 C ATOM 756 C GLY A 58 -7.394 6.366 2.769 1.00 0.00 C ATOM 757 O GLY A 58 -8.514 6.121 3.219 1.00 0.00 O ATOM 0 H GLY A 58 -8.557 8.844 3.381 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.440 7.849 1.559 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.277 8.116 3.283 1.00 0.00 H new ATOM 761 N LEU A 59 -6.511 5.423 2.483 1.00 0.00 N ATOM 762 CA LEU A 59 -6.803 4.020 2.718 1.00 0.00 C ATOM 763 C LEU A 59 -6.407 3.634 4.138 1.00 0.00 C ATOM 764 O LEU A 59 -5.249 3.311 4.410 1.00 0.00 O ATOM 765 CB LEU A 59 -6.078 3.138 1.700 1.00 0.00 C ATOM 766 CG LEU A 59 -6.957 2.598 0.566 1.00 0.00 C ATOM 767 CD1 LEU A 59 -6.387 2.999 -0.786 1.00 0.00 C ATOM 768 CD2 LEU A 59 -7.086 1.083 0.665 1.00 0.00 C ATOM 0 H LEU A 59 -5.588 5.604 2.088 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.875 3.864 2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.260 3.711 1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.631 2.294 2.226 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.951 3.034 0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.023 2.607 -1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.347 4.086 -0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.382 2.591 -0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.713 0.717 -0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.098 0.628 0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.539 0.818 1.620 1.00 0.00 H new ATOM 780 N ILE A 60 -7.372 3.696 5.041 1.00 0.00 N ATOM 781 CA ILE A 60 -7.136 3.357 6.433 1.00 0.00 C ATOM 782 C ILE A 60 -7.152 1.845 6.619 1.00 0.00 C ATOM 783 O ILE A 60 -8.214 1.221 6.663 1.00 0.00 O ATOM 784 CB ILE A 60 -8.186 4.004 7.364 1.00 0.00 C ATOM 785 CG1 ILE A 60 -8.303 5.506 7.085 1.00 0.00 C ATOM 786 CG2 ILE A 60 -7.829 3.756 8.822 1.00 0.00 C ATOM 787 CD1 ILE A 60 -7.019 6.274 7.313 1.00 0.00 C ATOM 0 H ILE A 60 -8.329 3.979 4.833 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.155 3.749 6.702 1.00 0.00 H new ATOM 0 HB ILE A 60 -9.153 3.544 7.163 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.623 5.650 6.053 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -9.083 5.924 7.721 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.579 4.218 9.464 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.800 2.683 9.012 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -6.852 4.189 9.036 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.183 7.329 7.095 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.708 6.162 8.352 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.241 5.884 6.657 1.00 0.00 H new ATOM 799 N ILE A 61 -5.970 1.264 6.709 1.00 0.00 N ATOM 800 CA ILE A 61 -5.834 -0.170 6.867 1.00 0.00 C ATOM 801 C ILE A 61 -5.448 -0.502 8.301 1.00 0.00 C ATOM 802 O ILE A 61 -4.566 0.130 8.875 1.00 0.00 O ATOM 803 CB ILE A 61 -4.783 -0.734 5.888 1.00 0.00 C ATOM 804 CG1 ILE A 61 -5.137 -0.329 4.453 1.00 0.00 C ATOM 805 CG2 ILE A 61 -4.698 -2.248 6.004 1.00 0.00 C ATOM 806 CD1 ILE A 61 -3.936 -0.178 3.550 1.00 0.00 C ATOM 0 H ILE A 61 -5.084 1.769 6.675 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.794 -0.633 6.640 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.809 -0.318 6.145 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.807 -1.077 4.029 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.684 0.613 4.476 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.951 -2.625 5.305 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.414 -2.520 7.021 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.668 -2.686 5.769 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.265 0.110 2.552 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.275 0.591 3.950 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.400 -1.126 3.496 1.00 0.00 H new ATOM 818 N ASN A 62 -6.106 -1.498 8.878 1.00 0.00 N ATOM 819 CA ASN A 62 -5.894 -1.838 10.283 1.00 0.00 C ATOM 820 C ASN A 62 -4.758 -2.845 10.454 1.00 0.00 C ATOM 821 O ASN A 62 -4.836 -3.731 11.306 1.00 0.00 O ATOM 822 CB ASN A 62 -7.181 -2.399 10.895 1.00 0.00 C ATOM 823 CG ASN A 62 -7.252 -2.187 12.397 1.00 0.00 C ATOM 824 OD1 ASN A 62 -6.989 -1.089 12.899 1.00 0.00 O ATOM 825 ND2 ASN A 62 -7.607 -3.236 13.122 1.00 0.00 N ATOM 0 H ASN A 62 -6.789 -2.085 8.399 1.00 0.00 H new ATOM 0 HA ASN A 62 -5.615 -0.922 10.803 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.041 -1.924 10.423 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -7.248 -3.465 10.678 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -7.672 -3.156 14.137 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -7.815 -4.124 12.666 1.00 0.00 H new ATOM 832 N ALA A 63 -3.723 -2.712 9.617 1.00 0.00 N ATOM 833 CA ALA A 63 -2.490 -3.514 9.705 1.00 0.00 C ATOM 834 C ALA A 63 -2.695 -4.984 9.319 1.00 0.00 C ATOM 835 O ALA A 63 -1.867 -5.562 8.612 1.00 0.00 O ATOM 836 CB ALA A 63 -1.873 -3.411 11.095 1.00 0.00 C ATOM 0 H ALA A 63 -3.714 -2.039 8.851 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.801 -3.092 8.974 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.964 -4.011 11.135 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.630 -2.370 11.309 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.583 -3.778 11.836 1.00 0.00 H new ATOM 842 N ALA A 64 -3.786 -5.582 9.782 1.00 0.00 N ATOM 843 CA ALA A 64 -4.060 -7.000 9.562 1.00 0.00 C ATOM 844 C ALA A 64 -4.199 -7.338 8.078 1.00 0.00 C ATOM 845 O ALA A 64 -3.936 -8.465 7.664 1.00 0.00 O ATOM 846 CB ALA A 64 -5.318 -7.412 10.310 1.00 0.00 C ATOM 0 H ALA A 64 -4.506 -5.100 10.320 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.206 -7.559 9.946 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.513 -8.471 10.139 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.181 -7.236 11.377 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.163 -6.825 9.951 1.00 0.00 H new ATOM 852 N ASN A 65 -4.598 -6.356 7.281 1.00 0.00 N ATOM 853 CA ASN A 65 -4.799 -6.558 5.847 1.00 0.00 C ATOM 854 C ASN A 65 -3.482 -6.398 5.087 1.00 0.00 C ATOM 855 O ASN A 65 -3.475 -6.117 3.891 1.00 0.00 O ATOM 856 CB ASN A 65 -5.844 -5.573 5.298 1.00 0.00 C ATOM 857 CG ASN A 65 -6.958 -5.271 6.286 1.00 0.00 C ATOM 858 OD1 ASN A 65 -6.758 -4.555 7.269 1.00 0.00 O ATOM 859 ND2 ASN A 65 -8.147 -5.792 6.024 1.00 0.00 N ATOM 0 H ASN A 65 -4.790 -5.407 7.602 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.166 -7.574 5.701 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.348 -4.642 5.024 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.277 -5.984 4.386 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.934 -5.605 6.645 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -8.276 -6.380 5.201 1.00 0.00 H new ATOM 866 N CYS A 66 -2.368 -6.578 5.791 1.00 0.00 N ATOM 867 CA CYS A 66 -1.047 -6.473 5.185 1.00 0.00 C ATOM 868 C CYS A 66 -0.164 -7.650 5.596 1.00 0.00 C ATOM 869 O CYS A 66 -0.234 -8.121 6.735 1.00 0.00 O ATOM 870 CB CYS A 66 -0.367 -5.160 5.597 1.00 0.00 C ATOM 871 SG CYS A 66 -1.497 -3.734 5.734 1.00 0.00 S ATOM 0 H CYS A 66 -2.356 -6.798 6.787 1.00 0.00 H new ATOM 0 HA CYS A 66 -1.177 -6.488 4.103 1.00 0.00 H new ATOM 0 HB2 CYS A 66 0.129 -5.308 6.556 1.00 0.00 H new ATOM 0 HB3 CYS A 66 0.410 -4.924 4.869 1.00 0.00 H new ATOM 876 N VAL A 67 0.664 -8.125 4.669 1.00 0.00 N ATOM 877 CA VAL A 67 1.617 -9.193 4.971 1.00 0.00 C ATOM 878 C VAL A 67 2.915 -8.608 5.503 1.00 0.00 C ATOM 879 O VAL A 67 3.676 -9.277 6.202 1.00 0.00 O ATOM 880 CB VAL A 67 1.944 -10.072 3.742 1.00 0.00 C ATOM 881 CG1 VAL A 67 1.009 -11.270 3.673 1.00 0.00 C ATOM 882 CG2 VAL A 67 1.885 -9.262 2.456 1.00 0.00 C ATOM 0 H VAL A 67 0.696 -7.790 3.706 1.00 0.00 H new ATOM 0 HA VAL A 67 1.140 -9.823 5.722 1.00 0.00 H new ATOM 0 HB VAL A 67 2.963 -10.442 3.855 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.257 -11.875 2.801 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.121 -11.871 4.575 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.021 -10.923 3.593 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.119 -9.907 1.609 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.884 -8.849 2.332 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.609 -8.449 2.505 1.00 0.00 H new ATOM 892 N ALA A 68 3.163 -7.360 5.154 1.00 0.00 N ATOM 893 CA ALA A 68 4.342 -6.653 5.608 1.00 0.00 C ATOM 894 C ALA A 68 3.955 -5.244 6.003 1.00 0.00 C ATOM 895 O ALA A 68 3.206 -4.608 5.234 1.00 0.00 O ATOM 896 CB ALA A 68 5.409 -6.633 4.524 1.00 0.00 C ATOM 897 OXT ALA A 68 4.363 -4.796 7.092 1.00 0.00 O ATOM 0 H ALA A 68 2.553 -6.810 4.549 1.00 0.00 H new ATOM 0 HA ALA A 68 4.759 -7.168 6.473 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.286 -6.097 4.887 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.688 -7.655 4.270 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.018 -6.132 3.638 1.00 0.00 H new TER 903 ALA A 68