USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 486 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 4 SER OG : rot 30:sc= 1.12 USER MOD Single : A 8 ASN : amide:sc= -0.834 K(o=-0.83,f=-5.4!) USER MOD Single : A 9 GLN : amide:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.737 X(o=-0.74,f=-0.44) USER MOD Single : A 15 THR OG1 : rot 105:sc= 0.0904 USER MOD Single : A 18 THR OG1 : rot -106:sc= 0.206 USER MOD Single : A 21 MET CE :methyl -179:sc= -5.5! (180deg=-5.58!) USER MOD Single : A 22 MET CE :methyl -137:sc= -3.28! (180deg=-4.93!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.537 USER MOD Single : A 42 SER OG : rot -69:sc= 1.16 USER MOD Single : A 43 MET CE :methyl -143:sc= -1.58 (180deg=-3.96!) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 46 ASN : amide:sc= -2.24 K(o=-2.2,f=-10!) USER MOD Single : A 53 THR OG1 : rot 128:sc= 1.22 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00401 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -120:sc= -0.443 (180deg=-1.24) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot -9:sc= 0.42 USER MOD ----------------------------------------------------------------- ATOM 32 N ALA A 3 -9.585 -8.593 -3.872 1.00 0.00 N ATOM 33 CA ALA A 3 -8.787 -8.106 -2.747 1.00 0.00 C ATOM 34 C ALA A 3 -7.630 -7.249 -3.248 1.00 0.00 C ATOM 35 O ALA A 3 -6.690 -7.748 -3.867 1.00 0.00 O ATOM 36 CB ALA A 3 -8.227 -9.274 -1.928 1.00 0.00 C ATOM 0 HA ALA A 3 -9.439 -7.506 -2.112 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.637 -8.886 -1.097 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.050 -9.874 -1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.595 -9.894 -2.564 1.00 0.00 H new ATOM 42 N SER A 4 -7.712 -5.950 -2.974 1.00 0.00 N ATOM 43 CA SER A 4 -6.668 -5.024 -3.403 1.00 0.00 C ATOM 44 C SER A 4 -5.599 -4.886 -2.324 1.00 0.00 C ATOM 45 O SER A 4 -5.613 -5.598 -1.319 1.00 0.00 O ATOM 46 CB SER A 4 -7.262 -3.645 -3.691 1.00 0.00 C ATOM 47 OG SER A 4 -6.490 -3.001 -4.697 1.00 0.00 O ATOM 0 H SER A 4 -8.482 -5.518 -2.463 1.00 0.00 H new ATOM 0 HA SER A 4 -6.218 -5.424 -4.311 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.297 -3.743 -4.018 1.00 0.00 H new ATOM 0 HB3 SER A 4 -7.271 -3.043 -2.782 1.00 0.00 H new ATOM 0 HG SER A 4 -6.095 -3.676 -5.288 1.00 0.00 H new ATOM 53 N VAL A 5 -4.669 -3.961 -2.546 1.00 0.00 N ATOM 54 CA VAL A 5 -3.590 -3.731 -1.588 1.00 0.00 C ATOM 55 C VAL A 5 -3.770 -2.382 -0.898 1.00 0.00 C ATOM 56 O VAL A 5 -3.309 -1.354 -1.388 1.00 0.00 O ATOM 57 CB VAL A 5 -2.231 -3.750 -2.295 1.00 0.00 C ATOM 58 CG1 VAL A 5 -1.111 -3.709 -1.253 1.00 0.00 C ATOM 59 CG2 VAL A 5 -2.103 -5.029 -3.124 1.00 0.00 C ATOM 0 H VAL A 5 -4.640 -3.364 -3.372 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.624 -4.528 -0.846 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.153 -2.882 -2.949 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.145 -3.723 -1.757 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.199 -2.798 -0.660 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.191 -4.577 -0.598 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.136 -5.042 -3.627 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.183 -5.897 -2.469 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.899 -5.062 -3.868 1.00 0.00 H new ATOM 69 N VAL A 6 -4.447 -2.398 0.247 1.00 0.00 N ATOM 70 CA VAL A 6 -4.681 -1.168 0.996 1.00 0.00 C ATOM 71 C VAL A 6 -3.544 -0.923 1.982 1.00 0.00 C ATOM 72 O VAL A 6 -2.905 -1.859 2.462 1.00 0.00 O ATOM 73 CB VAL A 6 -6.004 -1.249 1.765 1.00 0.00 C ATOM 74 CG1 VAL A 6 -6.313 0.103 2.411 1.00 0.00 C ATOM 75 CG2 VAL A 6 -7.129 -1.612 0.797 1.00 0.00 C ATOM 0 H VAL A 6 -4.839 -3.238 0.672 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.729 -0.344 0.284 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.922 -2.010 2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.255 0.039 2.956 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.512 0.368 3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.393 0.866 1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.072 -1.671 1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.203 -0.848 0.023 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.915 -2.576 0.336 1.00 0.00 H new ATOM 85 N ALA A 7 -3.299 0.350 2.278 1.00 0.00 N ATOM 86 CA ALA A 7 -2.235 0.717 3.209 1.00 0.00 C ATOM 87 C ALA A 7 -2.646 0.393 4.642 1.00 0.00 C ATOM 88 O ALA A 7 -3.701 0.821 5.112 1.00 0.00 O ATOM 89 CB ALA A 7 -1.925 2.211 3.104 1.00 0.00 C ATOM 0 H ALA A 7 -3.817 1.139 1.891 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.346 0.143 2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.130 2.468 3.804 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.604 2.446 2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.819 2.786 3.344 1.00 0.00 H new ATOM 95 N ASN A 8 -1.802 -0.369 5.332 1.00 0.00 N ATOM 96 CA ASN A 8 -2.087 -0.747 6.715 1.00 0.00 C ATOM 97 C ASN A 8 -1.259 0.095 7.683 1.00 0.00 C ATOM 98 O ASN A 8 -0.882 -0.365 8.760 1.00 0.00 O ATOM 99 CB ASN A 8 -1.764 -2.225 6.945 1.00 0.00 C ATOM 100 CG ASN A 8 -2.686 -2.785 8.023 1.00 0.00 C ATOM 101 OD1 ASN A 8 -3.856 -2.414 8.102 1.00 0.00 O ATOM 102 ND2 ASN A 8 -2.223 -3.668 8.865 1.00 0.00 N ATOM 0 H ASN A 8 -0.924 -0.734 4.962 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.148 -0.573 6.896 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.889 -2.784 6.018 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.723 -2.338 7.247 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.831 -4.051 9.589 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.253 -3.976 8.799 1.00 0.00 H new ATOM 109 N GLN A 9 -0.979 1.334 7.286 1.00 0.00 N ATOM 110 CA GLN A 9 -0.192 2.233 8.128 1.00 0.00 C ATOM 111 C GLN A 9 -0.047 3.595 7.454 1.00 0.00 C ATOM 112 O GLN A 9 -0.362 3.758 6.275 1.00 0.00 O ATOM 113 CB GLN A 9 1.202 1.645 8.385 1.00 0.00 C ATOM 114 CG GLN A 9 1.614 1.901 9.838 1.00 0.00 C ATOM 115 CD GLN A 9 3.112 2.176 9.905 1.00 0.00 C ATOM 116 OE1 GLN A 9 3.855 1.445 10.560 1.00 0.00 O ATOM 117 NE2 GLN A 9 3.605 3.196 9.259 1.00 0.00 N ATOM 0 H GLN A 9 -1.281 1.735 6.398 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.712 2.352 9.079 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.198 0.574 8.182 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.927 2.095 7.707 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.060 2.750 10.239 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.365 1.037 10.455 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.990 3.802 8.716 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.606 3.388 9.296 1.00 0.00 H new ATOM 126 N LEU A 10 0.436 4.572 8.218 1.00 0.00 N ATOM 127 CA LEU A 10 0.623 5.918 7.685 1.00 0.00 C ATOM 128 C LEU A 10 1.809 5.950 6.727 1.00 0.00 C ATOM 129 O LEU A 10 2.966 5.959 7.147 1.00 0.00 O ATOM 130 CB LEU A 10 0.874 6.913 8.821 1.00 0.00 C ATOM 131 CG LEU A 10 0.803 8.339 8.275 1.00 0.00 C ATOM 132 CD1 LEU A 10 -0.627 8.643 7.825 1.00 0.00 C ATOM 133 CD2 LEU A 10 1.212 9.325 9.372 1.00 0.00 C ATOM 0 H LEU A 10 0.702 4.459 9.196 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.285 6.198 7.151 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.133 6.777 9.609 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.851 6.732 9.268 1.00 0.00 H new ATOM 0 HG LEU A 10 1.479 8.437 7.426 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.678 9.660 7.436 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.920 7.941 7.045 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.304 8.545 8.674 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.162 10.342 8.984 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.535 9.227 10.221 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.231 9.109 9.694 1.00 0.00 H new ATOM 145 N ILE A 11 1.507 5.964 5.431 1.00 0.00 N ATOM 146 CA ILE A 11 2.554 5.994 4.413 1.00 0.00 C ATOM 147 C ILE A 11 2.643 7.390 3.781 1.00 0.00 C ATOM 148 O ILE A 11 1.828 7.733 2.924 1.00 0.00 O ATOM 149 CB ILE A 11 2.257 4.974 3.310 1.00 0.00 C ATOM 150 CG1 ILE A 11 1.988 3.603 3.937 1.00 0.00 C ATOM 151 CG2 ILE A 11 3.459 4.874 2.370 1.00 0.00 C ATOM 152 CD1 ILE A 11 1.434 2.656 2.871 1.00 0.00 C ATOM 0 H ILE A 11 0.556 5.955 5.063 1.00 0.00 H new ATOM 0 HA ILE A 11 3.500 5.747 4.895 1.00 0.00 H new ATOM 0 HB ILE A 11 1.380 5.295 2.748 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.908 3.197 4.358 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.278 3.699 4.758 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.248 4.148 1.585 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.652 5.848 1.921 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.336 4.554 2.933 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.242 1.680 3.316 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.505 3.062 2.471 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.160 2.551 2.065 1.00 0.00 H new ATOM 164 N PRO A 12 3.625 8.219 4.184 1.00 0.00 N ATOM 165 CA PRO A 12 3.772 9.574 3.620 1.00 0.00 C ATOM 166 C PRO A 12 4.477 9.572 2.266 1.00 0.00 C ATOM 167 O PRO A 12 5.139 8.602 1.895 1.00 0.00 O ATOM 168 CB PRO A 12 4.621 10.277 4.672 1.00 0.00 C ATOM 169 CG PRO A 12 5.385 9.195 5.426 1.00 0.00 C ATOM 170 CD PRO A 12 4.640 7.874 5.208 1.00 0.00 C ATOM 0 HA PRO A 12 2.812 10.053 3.426 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.310 10.980 4.204 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.993 10.851 5.353 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.410 9.123 5.061 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.441 9.434 6.488 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.310 7.087 4.861 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.178 7.516 6.128 1.00 0.00 H new ATOM 178 N ILE A 13 4.324 10.670 1.531 1.00 0.00 N ATOM 179 CA ILE A 13 4.946 10.789 0.215 1.00 0.00 C ATOM 180 C ILE A 13 6.471 10.697 0.331 1.00 0.00 C ATOM 181 O ILE A 13 7.045 10.986 1.380 1.00 0.00 O ATOM 182 CB ILE A 13 4.546 12.119 -0.445 1.00 0.00 C ATOM 183 CG1 ILE A 13 5.110 12.169 -1.869 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.088 13.299 0.373 1.00 0.00 C ATOM 185 CD1 ILE A 13 4.635 13.444 -2.571 1.00 0.00 C ATOM 0 H ILE A 13 3.780 11.483 1.820 1.00 0.00 H new ATOM 0 HA ILE A 13 4.594 9.966 -0.408 1.00 0.00 H new ATOM 0 HB ILE A 13 3.459 12.189 -0.482 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.199 12.144 -1.840 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.786 11.292 -2.429 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.799 14.236 -0.104 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.676 13.263 1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.175 13.238 0.423 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.039 13.474 -3.583 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.546 13.451 -2.615 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.981 14.316 -2.016 1.00 0.00 H new ATOM 197 N ASN A 14 7.112 10.291 -0.761 1.00 0.00 N ATOM 198 CA ASN A 14 8.568 10.163 -0.779 1.00 0.00 C ATOM 199 C ASN A 14 9.027 9.134 0.254 1.00 0.00 C ATOM 200 O ASN A 14 9.980 9.359 1.002 1.00 0.00 O ATOM 201 CB ASN A 14 9.229 11.513 -0.481 1.00 0.00 C ATOM 202 CG ASN A 14 8.814 12.528 -1.540 1.00 0.00 C ATOM 203 OD1 ASN A 14 9.035 12.317 -2.733 1.00 0.00 O ATOM 204 ND2 ASN A 14 8.219 13.630 -1.171 1.00 0.00 N ATOM 0 H ASN A 14 6.653 10.047 -1.638 1.00 0.00 H new ATOM 0 HA ASN A 14 8.866 9.830 -1.773 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.935 11.863 0.508 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.314 11.405 -0.471 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.937 14.316 -1.871 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.036 13.805 -0.183 1.00 0.00 H new ATOM 211 N THR A 15 8.336 7.999 0.284 1.00 0.00 N ATOM 212 CA THR A 15 8.676 6.936 1.226 1.00 0.00 C ATOM 213 C THR A 15 8.386 5.568 0.616 1.00 0.00 C ATOM 214 O THR A 15 7.280 5.303 0.146 1.00 0.00 O ATOM 215 CB THR A 15 7.868 7.087 2.517 1.00 0.00 C ATOM 216 OG1 THR A 15 7.950 8.431 2.969 1.00 0.00 O ATOM 217 CG2 THR A 15 8.432 6.151 3.587 1.00 0.00 C ATOM 0 H THR A 15 7.545 7.792 -0.326 1.00 0.00 H new ATOM 0 HA THR A 15 9.740 7.014 1.451 1.00 0.00 H new ATOM 0 HB THR A 15 6.826 6.830 2.327 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.108 8.894 2.774 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.856 6.260 4.506 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.369 5.120 3.239 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.474 6.405 3.780 1.00 0.00 H new ATOM 225 N ALA A 16 9.396 4.702 0.630 1.00 0.00 N ATOM 226 CA ALA A 16 9.242 3.359 0.075 1.00 0.00 C ATOM 227 C ALA A 16 8.231 2.560 0.890 1.00 0.00 C ATOM 228 O ALA A 16 8.112 2.733 2.102 1.00 0.00 O ATOM 229 CB ALA A 16 10.582 2.618 0.081 1.00 0.00 C ATOM 0 H ALA A 16 10.319 4.902 1.014 1.00 0.00 H new ATOM 0 HA ALA A 16 8.887 3.458 -0.951 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.448 1.620 -0.336 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.305 3.168 -0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.949 2.538 1.104 1.00 0.00 H new ATOM 235 N LEU A 17 7.503 1.680 0.207 1.00 0.00 N ATOM 236 CA LEU A 17 6.501 0.854 0.875 1.00 0.00 C ATOM 237 C LEU A 17 7.161 -0.352 1.537 1.00 0.00 C ATOM 238 O LEU A 17 8.334 -0.641 1.303 1.00 0.00 O ATOM 239 CB LEU A 17 5.457 0.362 -0.128 1.00 0.00 C ATOM 240 CG LEU A 17 4.863 1.557 -0.874 1.00 0.00 C ATOM 241 CD1 LEU A 17 4.170 1.071 -2.149 1.00 0.00 C ATOM 242 CD2 LEU A 17 3.842 2.260 0.022 1.00 0.00 C ATOM 0 H LEU A 17 7.586 1.521 -0.797 1.00 0.00 H new ATOM 0 HA LEU A 17 6.014 1.465 1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.914 -0.331 -0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.669 -0.185 0.390 1.00 0.00 H new ATOM 0 HG LEU A 17 5.660 2.253 -1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.747 1.923 -2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.896 0.568 -2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.373 0.375 -1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.418 3.112 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.046 1.563 0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.333 2.607 0.931 1.00 0.00 H new ATOM 254 N THR A 18 6.391 -1.053 2.365 1.00 0.00 N ATOM 255 CA THR A 18 6.909 -2.229 3.056 1.00 0.00 C ATOM 256 C THR A 18 5.787 -3.229 3.317 1.00 0.00 C ATOM 257 O THR A 18 4.633 -2.998 2.957 1.00 0.00 O ATOM 258 CB THR A 18 7.543 -1.831 4.391 1.00 0.00 C ATOM 259 OG1 THR A 18 6.544 -1.298 5.248 1.00 0.00 O ATOM 260 CG2 THR A 18 8.627 -0.778 4.148 1.00 0.00 C ATOM 0 H THR A 18 5.417 -0.830 2.572 1.00 0.00 H new ATOM 0 HA THR A 18 7.665 -2.688 2.419 1.00 0.00 H new ATOM 0 HB THR A 18 7.990 -2.708 4.858 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.647 -0.325 5.305 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.079 -0.495 5.099 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.393 -1.189 3.491 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.182 0.101 3.681 1.00 0.00 H new ATOM 268 N LEU A 19 6.140 -4.346 3.948 1.00 0.00 N ATOM 269 CA LEU A 19 5.156 -5.380 4.255 1.00 0.00 C ATOM 270 C LEU A 19 4.181 -4.885 5.318 1.00 0.00 C ATOM 271 O LEU A 19 2.985 -5.174 5.268 1.00 0.00 O ATOM 272 CB LEU A 19 5.849 -6.646 4.763 1.00 0.00 C ATOM 273 CG LEU A 19 6.830 -7.151 3.704 1.00 0.00 C ATOM 274 CD1 LEU A 19 8.026 -7.813 4.389 1.00 0.00 C ATOM 275 CD2 LEU A 19 6.127 -8.174 2.807 1.00 0.00 C ATOM 0 H LEU A 19 7.090 -4.557 4.254 1.00 0.00 H new ATOM 0 HA LEU A 19 4.611 -5.610 3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.378 -6.436 5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.109 -7.415 4.984 1.00 0.00 H new ATOM 0 HG LEU A 19 7.176 -6.312 3.100 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.725 -8.173 3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.526 -7.087 5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.681 -8.652 4.993 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.824 -8.535 2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.782 -9.012 3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.274 -7.704 2.318 1.00 0.00 H new ATOM 287 N VAL A 20 4.706 -4.132 6.280 1.00 0.00 N ATOM 288 CA VAL A 20 3.875 -3.595 7.356 1.00 0.00 C ATOM 289 C VAL A 20 2.958 -2.490 6.833 1.00 0.00 C ATOM 290 O VAL A 20 1.888 -2.240 7.388 1.00 0.00 O ATOM 291 CB VAL A 20 4.750 -3.030 8.478 1.00 0.00 C ATOM 292 CG1 VAL A 20 5.512 -4.171 9.154 1.00 0.00 C ATOM 293 CG2 VAL A 20 5.748 -2.029 7.892 1.00 0.00 C ATOM 0 H VAL A 20 5.693 -3.881 6.338 1.00 0.00 H new ATOM 0 HA VAL A 20 3.267 -4.411 7.745 1.00 0.00 H new ATOM 0 HB VAL A 20 4.120 -2.528 9.212 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.135 -3.769 9.953 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.802 -4.885 9.572 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.142 -4.673 8.420 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.371 -1.627 8.691 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.378 -2.531 7.158 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.206 -1.215 7.409 1.00 0.00 H new ATOM 303 N MET A 21 3.386 -1.827 5.758 1.00 0.00 N ATOM 304 CA MET A 21 2.594 -0.748 5.172 1.00 0.00 C ATOM 305 C MET A 21 1.755 -1.257 3.999 1.00 0.00 C ATOM 306 O MET A 21 1.432 -0.504 3.081 1.00 0.00 O ATOM 307 CB MET A 21 3.510 0.371 4.676 1.00 0.00 C ATOM 308 CG MET A 21 4.243 0.989 5.868 1.00 0.00 C ATOM 309 SD MET A 21 5.885 1.552 5.350 1.00 0.00 S ATOM 310 CE MET A 21 5.340 2.704 4.066 1.00 0.00 C ATOM 0 H MET A 21 4.267 -2.016 5.280 1.00 0.00 H new ATOM 0 HA MET A 21 1.929 -0.367 5.947 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.228 -0.023 3.957 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.926 1.132 4.159 1.00 0.00 H new ATOM 0 HG2 MET A 21 3.670 1.826 6.266 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.335 0.257 6.670 1.00 0.00 H new ATOM 0 HE1 MET A 21 6.210 3.160 3.593 1.00 0.00 H new ATOM 0 HE2 MET A 21 4.760 2.166 3.316 1.00 0.00 H new ATOM 0 HE3 MET A 21 4.721 3.482 4.514 1.00 0.00 H new ATOM 320 N MET A 22 1.401 -2.540 4.039 1.00 0.00 N ATOM 321 CA MET A 22 0.596 -3.130 2.972 1.00 0.00 C ATOM 322 C MET A 22 -0.265 -4.265 3.519 1.00 0.00 C ATOM 323 O MET A 22 0.152 -5.006 4.409 1.00 0.00 O ATOM 324 CB MET A 22 1.495 -3.675 1.861 1.00 0.00 C ATOM 325 CG MET A 22 2.006 -2.516 1.002 1.00 0.00 C ATOM 326 SD MET A 22 2.297 -3.098 -0.688 1.00 0.00 S ATOM 327 CE MET A 22 3.501 -4.385 -0.280 1.00 0.00 C ATOM 0 H MET A 22 1.655 -3.184 4.788 1.00 0.00 H new ATOM 0 HA MET A 22 -0.048 -2.350 2.566 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.335 -4.219 2.293 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.940 -4.382 1.244 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.279 -1.704 0.998 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.928 -2.116 1.424 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.322 -4.356 -0.996 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.889 -4.215 0.724 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.018 -5.361 -0.322 1.00 0.00 H new ATOM 337 N ARG A 23 -1.473 -4.391 2.974 1.00 0.00 N ATOM 338 CA ARG A 23 -2.390 -5.439 3.413 1.00 0.00 C ATOM 339 C ARG A 23 -3.397 -5.761 2.313 1.00 0.00 C ATOM 340 O ARG A 23 -3.537 -5.018 1.342 1.00 0.00 O ATOM 341 CB ARG A 23 -3.149 -5.000 4.668 1.00 0.00 C ATOM 342 CG ARG A 23 -3.848 -3.665 4.403 1.00 0.00 C ATOM 343 CD ARG A 23 -4.932 -3.436 5.457 1.00 0.00 C ATOM 344 NE ARG A 23 -5.178 -2.008 5.640 1.00 0.00 N ATOM 345 CZ ARG A 23 -6.313 -1.571 6.181 1.00 0.00 C ATOM 346 NH1 ARG A 23 -6.838 -2.203 7.194 1.00 0.00 N ATOM 347 NH2 ARG A 23 -6.900 -0.512 5.696 1.00 0.00 N ATOM 0 H ARG A 23 -1.836 -3.788 2.236 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.799 -6.327 3.639 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.882 -5.757 4.946 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.460 -4.901 5.507 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.123 -2.852 4.430 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.290 -3.666 3.407 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.853 -3.933 5.153 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.627 -3.882 6.403 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.469 -1.335 5.349 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.379 -3.032 7.571 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.708 -1.868 7.609 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.489 -0.019 4.903 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -7.770 -0.176 6.110 1.00 0.00 H new ATOM 361 N SER A 24 -4.097 -6.880 2.476 1.00 0.00 N ATOM 362 CA SER A 24 -5.092 -7.295 1.492 1.00 0.00 C ATOM 363 C SER A 24 -6.499 -7.110 2.051 1.00 0.00 C ATOM 364 O SER A 24 -6.874 -7.732 3.046 1.00 0.00 O ATOM 365 CB SER A 24 -4.895 -8.762 1.113 1.00 0.00 C ATOM 366 OG SER A 24 -3.516 -9.093 1.216 1.00 0.00 O ATOM 0 H SER A 24 -3.996 -7.510 3.272 1.00 0.00 H new ATOM 0 HA SER A 24 -4.967 -6.674 0.605 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.484 -9.402 1.770 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.248 -8.938 0.097 1.00 0.00 H new ATOM 0 HG SER A 24 -3.387 -10.034 0.975 1.00 0.00 H new ATOM 372 N GLU A 25 -7.274 -6.249 1.399 1.00 0.00 N ATOM 373 CA GLU A 25 -8.642 -5.987 1.839 1.00 0.00 C ATOM 374 C GLU A 25 -9.529 -5.646 0.646 1.00 0.00 C ATOM 375 O GLU A 25 -9.064 -5.114 -0.362 1.00 0.00 O ATOM 376 CB GLU A 25 -8.671 -4.821 2.829 1.00 0.00 C ATOM 377 CG GLU A 25 -10.063 -4.713 3.453 1.00 0.00 C ATOM 378 CD GLU A 25 -9.961 -4.035 4.814 1.00 0.00 C ATOM 379 OE1 GLU A 25 -9.686 -2.847 4.843 1.00 0.00 O ATOM 380 OE2 GLU A 25 -10.159 -4.714 5.809 1.00 0.00 O ATOM 0 H GLU A 25 -6.984 -5.726 0.573 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.017 -6.887 2.326 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.923 -4.973 3.607 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.417 -3.892 2.319 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.722 -4.142 2.799 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.502 -5.705 3.561 1.00 0.00 H new ATOM 387 N VAL A 26 -10.815 -5.961 0.773 1.00 0.00 N ATOM 388 CA VAL A 26 -11.766 -5.686 -0.302 1.00 0.00 C ATOM 389 C VAL A 26 -12.158 -4.211 -0.298 1.00 0.00 C ATOM 390 O VAL A 26 -12.677 -3.695 0.691 1.00 0.00 O ATOM 391 CB VAL A 26 -13.027 -6.539 -0.135 1.00 0.00 C ATOM 392 CG1 VAL A 26 -13.923 -6.378 -1.365 1.00 0.00 C ATOM 393 CG2 VAL A 26 -12.631 -8.011 0.013 1.00 0.00 C ATOM 0 H VAL A 26 -11.220 -6.402 1.599 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.286 -5.933 -1.249 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.568 -6.213 0.754 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.820 -6.986 -1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.206 -5.331 -1.474 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.382 -6.702 -2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.528 -8.619 0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.090 -8.333 -0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.993 -8.130 0.889 1.00 0.00 H new ATOM 403 N VAL A 27 -11.900 -3.539 -1.417 1.00 0.00 N ATOM 404 CA VAL A 27 -12.228 -2.122 -1.535 1.00 0.00 C ATOM 405 C VAL A 27 -12.472 -1.752 -2.995 1.00 0.00 C ATOM 406 O VAL A 27 -11.970 -2.406 -3.908 1.00 0.00 O ATOM 407 CB VAL A 27 -11.087 -1.262 -0.988 1.00 0.00 C ATOM 408 CG1 VAL A 27 -10.948 -1.494 0.518 1.00 0.00 C ATOM 409 CG2 VAL A 27 -9.779 -1.647 -1.684 1.00 0.00 C ATOM 0 H VAL A 27 -11.469 -3.948 -2.246 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.133 -1.936 -0.956 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.304 -0.210 -1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.135 -0.881 0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.879 -1.221 1.016 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.731 -2.546 0.706 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.966 -1.035 -1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.563 -2.699 -1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.876 -1.482 -2.757 1.00 0.00 H new ATOM 419 N THR A 28 -13.249 -0.692 -3.202 1.00 0.00 N ATOM 420 CA THR A 28 -13.555 -0.238 -4.556 1.00 0.00 C ATOM 421 C THR A 28 -13.026 1.187 -4.772 1.00 0.00 C ATOM 422 O THR A 28 -13.049 2.002 -3.850 1.00 0.00 O ATOM 423 CB THR A 28 -15.067 -0.252 -4.799 1.00 0.00 C ATOM 424 OG1 THR A 28 -15.347 0.341 -6.059 1.00 0.00 O ATOM 425 CG2 THR A 28 -15.771 0.536 -3.694 1.00 0.00 C ATOM 0 H THR A 28 -13.674 -0.137 -2.459 1.00 0.00 H new ATOM 0 HA THR A 28 -13.071 -0.918 -5.257 1.00 0.00 H new ATOM 0 HB THR A 28 -15.427 -1.281 -4.793 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.314 0.332 -6.217 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.847 0.525 -3.868 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.555 0.080 -2.728 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.413 1.566 -3.697 1.00 0.00 H new ATOM 433 N PRO A 29 -12.541 1.512 -5.985 1.00 0.00 N ATOM 434 CA PRO A 29 -12.487 0.579 -7.134 1.00 0.00 C ATOM 435 C PRO A 29 -11.302 -0.381 -7.051 1.00 0.00 C ATOM 436 O PRO A 29 -10.300 -0.098 -6.394 1.00 0.00 O ATOM 437 CB PRO A 29 -12.339 1.527 -8.317 1.00 0.00 C ATOM 438 CG PRO A 29 -11.736 2.818 -7.779 1.00 0.00 C ATOM 439 CD PRO A 29 -12.008 2.858 -6.272 1.00 0.00 C ATOM 0 HA PRO A 29 -13.360 -0.072 -7.190 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.697 1.091 -9.083 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.306 1.717 -8.782 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.665 2.853 -7.977 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -12.179 3.683 -8.272 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -11.099 3.060 -5.705 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -12.725 3.638 -6.014 1.00 0.00 H new ATOM 447 N VAL A 30 -11.432 -1.523 -7.722 1.00 0.00 N ATOM 448 CA VAL A 30 -10.368 -2.524 -7.715 1.00 0.00 C ATOM 449 C VAL A 30 -9.083 -1.945 -8.313 1.00 0.00 C ATOM 450 O VAL A 30 -9.012 -1.650 -9.506 1.00 0.00 O ATOM 451 CB VAL A 30 -10.805 -3.769 -8.505 1.00 0.00 C ATOM 452 CG1 VAL A 30 -11.075 -3.398 -9.966 1.00 0.00 C ATOM 453 CG2 VAL A 30 -9.707 -4.839 -8.443 1.00 0.00 C ATOM 0 H VAL A 30 -12.253 -1.777 -8.271 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.171 -2.812 -6.682 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.719 -4.163 -8.061 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -11.384 -4.287 -10.516 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.867 -2.650 -10.011 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.167 -2.992 -10.412 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.023 -5.718 -9.005 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.788 -4.443 -8.876 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.528 -5.117 -7.404 1.00 0.00 H new ATOM 463 N GLY A 31 -8.070 -1.794 -7.465 1.00 0.00 N ATOM 464 CA GLY A 31 -6.788 -1.254 -7.911 1.00 0.00 C ATOM 465 C GLY A 31 -5.773 -2.376 -8.101 1.00 0.00 C ATOM 466 O GLY A 31 -5.987 -3.301 -8.885 1.00 0.00 O ATOM 0 H GLY A 31 -8.110 -2.035 -6.475 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.921 -0.713 -8.848 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.414 -0.537 -7.180 1.00 0.00 H new ATOM 470 N ILE A 32 -4.665 -2.286 -7.370 1.00 0.00 N ATOM 471 CA ILE A 32 -3.623 -3.305 -7.462 1.00 0.00 C ATOM 472 C ILE A 32 -4.062 -4.573 -6.716 1.00 0.00 C ATOM 473 O ILE A 32 -4.659 -4.482 -5.643 1.00 0.00 O ATOM 474 CB ILE A 32 -2.318 -2.786 -6.851 1.00 0.00 C ATOM 475 CG1 ILE A 32 -1.944 -1.454 -7.507 1.00 0.00 C ATOM 476 CG2 ILE A 32 -1.197 -3.799 -7.087 1.00 0.00 C ATOM 477 CD1 ILE A 32 -0.811 -0.796 -6.718 1.00 0.00 C ATOM 0 H ILE A 32 -4.467 -1.529 -6.716 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.459 -3.539 -8.514 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.455 -2.643 -5.779 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.634 -1.619 -8.539 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.812 -0.795 -7.536 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.271 -3.425 -6.650 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.460 -4.748 -6.621 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.060 -3.947 -8.158 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.545 0.152 -7.185 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.137 -0.617 -5.694 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.058 -1.454 -6.712 1.00 0.00 H new ATOM 489 N PRO A 33 -3.788 -5.771 -7.265 1.00 0.00 N ATOM 490 CA PRO A 33 -4.185 -7.032 -6.611 1.00 0.00 C ATOM 491 C PRO A 33 -3.206 -7.473 -5.526 1.00 0.00 C ATOM 492 O PRO A 33 -2.046 -7.061 -5.506 1.00 0.00 O ATOM 493 CB PRO A 33 -4.183 -8.016 -7.773 1.00 0.00 C ATOM 494 CG PRO A 33 -3.247 -7.451 -8.837 1.00 0.00 C ATOM 495 CD PRO A 33 -3.074 -5.957 -8.551 1.00 0.00 C ATOM 0 HA PRO A 33 -5.140 -6.948 -6.092 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.845 -8.999 -7.445 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.189 -8.142 -8.173 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.284 -7.961 -8.810 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.661 -7.605 -9.833 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.022 -5.682 -8.471 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.504 -5.343 -9.342 1.00 0.00 H new ATOM 503 N ALA A 34 -3.693 -8.322 -4.624 1.00 0.00 N ATOM 504 CA ALA A 34 -2.862 -8.828 -3.532 1.00 0.00 C ATOM 505 C ALA A 34 -1.755 -9.746 -4.055 1.00 0.00 C ATOM 506 O ALA A 34 -0.771 -10.005 -3.363 1.00 0.00 O ATOM 507 CB ALA A 34 -3.719 -9.606 -2.531 1.00 0.00 C ATOM 0 H ALA A 34 -4.651 -8.672 -4.626 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.405 -7.968 -3.042 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.088 -9.977 -1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.485 -8.949 -2.120 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.195 -10.447 -3.036 1.00 0.00 H new ATOM 513 N GLU A 35 -1.921 -10.244 -5.279 1.00 0.00 N ATOM 514 CA GLU A 35 -0.922 -11.134 -5.866 1.00 0.00 C ATOM 515 C GLU A 35 0.404 -10.406 -6.114 1.00 0.00 C ATOM 516 O GLU A 35 1.426 -11.041 -6.372 1.00 0.00 O ATOM 517 CB GLU A 35 -1.429 -11.701 -7.194 1.00 0.00 C ATOM 518 CG GLU A 35 -2.450 -12.808 -6.920 1.00 0.00 C ATOM 519 CD GLU A 35 -2.415 -13.825 -8.055 1.00 0.00 C ATOM 520 OE1 GLU A 35 -1.563 -14.698 -8.015 1.00 0.00 O ATOM 521 OE2 GLU A 35 -3.240 -13.717 -8.947 1.00 0.00 O ATOM 0 H GLU A 35 -2.725 -10.050 -5.876 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.752 -11.942 -5.155 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.885 -10.910 -7.789 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.596 -12.096 -7.775 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.226 -13.297 -5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.449 -12.382 -6.830 1.00 0.00 H new ATOM 528 N ASP A 36 0.386 -9.071 -6.048 1.00 0.00 N ATOM 529 CA ASP A 36 1.606 -8.298 -6.284 1.00 0.00 C ATOM 530 C ASP A 36 2.067 -7.575 -5.018 1.00 0.00 C ATOM 531 O ASP A 36 2.757 -6.559 -5.092 1.00 0.00 O ATOM 532 CB ASP A 36 1.375 -7.266 -7.389 1.00 0.00 C ATOM 533 CG ASP A 36 1.088 -7.982 -8.704 1.00 0.00 C ATOM 534 OD1 ASP A 36 0.071 -8.652 -8.779 1.00 0.00 O ATOM 535 OD2 ASP A 36 1.887 -7.849 -9.615 1.00 0.00 O ATOM 0 H ASP A 36 -0.442 -8.514 -5.838 1.00 0.00 H new ATOM 0 HA ASP A 36 2.382 -9.001 -6.587 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.539 -6.618 -7.126 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.253 -6.628 -7.494 1.00 0.00 H new ATOM 540 N ILE A 37 1.698 -8.111 -3.858 1.00 0.00 N ATOM 541 CA ILE A 37 2.103 -7.502 -2.592 1.00 0.00 C ATOM 542 C ILE A 37 3.636 -7.557 -2.426 1.00 0.00 C ATOM 543 O ILE A 37 4.249 -6.546 -2.082 1.00 0.00 O ATOM 544 CB ILE A 37 1.408 -8.196 -1.405 1.00 0.00 C ATOM 545 CG1 ILE A 37 -0.101 -7.974 -1.510 1.00 0.00 C ATOM 546 CG2 ILE A 37 1.899 -7.610 -0.074 1.00 0.00 C ATOM 547 CD1 ILE A 37 -0.834 -9.096 -0.773 1.00 0.00 C ATOM 0 H ILE A 37 1.128 -8.952 -3.766 1.00 0.00 H new ATOM 0 HA ILE A 37 1.796 -6.456 -2.606 1.00 0.00 H new ATOM 0 HB ILE A 37 1.643 -9.260 -1.435 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.368 -7.008 -1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.404 -7.953 -2.557 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.397 -8.113 0.752 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.976 -7.756 0.013 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.674 -6.544 -0.041 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.910 -8.938 -0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.576 -10.055 -1.222 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.539 -9.095 0.276 1.00 0.00 H new ATOM 559 N PRO A 38 4.287 -8.715 -2.666 1.00 0.00 N ATOM 560 CA PRO A 38 5.754 -8.811 -2.524 1.00 0.00 C ATOM 561 C PRO A 38 6.512 -8.180 -3.697 1.00 0.00 C ATOM 562 O PRO A 38 7.720 -7.955 -3.619 1.00 0.00 O ATOM 563 CB PRO A 38 5.987 -10.315 -2.477 1.00 0.00 C ATOM 564 CG PRO A 38 4.798 -10.969 -3.164 1.00 0.00 C ATOM 565 CD PRO A 38 3.633 -9.979 -3.090 1.00 0.00 C ATOM 0 HA PRO A 38 6.118 -8.273 -1.649 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.917 -10.577 -2.982 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.075 -10.660 -1.447 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.036 -11.207 -4.201 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.538 -11.907 -2.673 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.135 -9.871 -4.053 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.876 -10.301 -2.374 1.00 0.00 H new ATOM 573 N ARG A 39 5.794 -7.895 -4.783 1.00 0.00 N ATOM 574 CA ARG A 39 6.416 -7.288 -5.957 1.00 0.00 C ATOM 575 C ARG A 39 6.509 -5.771 -5.794 1.00 0.00 C ATOM 576 O ARG A 39 7.391 -5.127 -6.362 1.00 0.00 O ATOM 577 CB ARG A 39 5.605 -7.605 -7.215 1.00 0.00 C ATOM 578 CG ARG A 39 6.536 -7.631 -8.429 1.00 0.00 C ATOM 579 CD ARG A 39 7.195 -9.007 -8.538 1.00 0.00 C ATOM 580 NE ARG A 39 8.508 -8.901 -9.169 1.00 0.00 N ATOM 581 CZ ARG A 39 9.413 -9.864 -9.031 1.00 0.00 C ATOM 582 NH1 ARG A 39 9.422 -10.876 -9.855 1.00 0.00 N ATOM 583 NH2 ARG A 39 10.295 -9.797 -8.071 1.00 0.00 N ATOM 0 H ARG A 39 4.794 -8.072 -4.874 1.00 0.00 H new ATOM 0 HA ARG A 39 7.419 -7.702 -6.056 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.106 -8.568 -7.106 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.826 -6.856 -7.357 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.973 -7.413 -9.337 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.298 -6.858 -8.333 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.297 -9.447 -7.546 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.559 -9.675 -9.119 1.00 0.00 H new ATOM 0 HE ARG A 39 8.734 -8.075 -9.724 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.734 -10.928 -10.606 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.117 -11.615 -9.748 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.289 -9.006 -7.427 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.990 -10.536 -7.964 1.00 0.00 H new ATOM 597 N LEU A 40 5.587 -5.206 -5.015 1.00 0.00 N ATOM 598 CA LEU A 40 5.576 -3.763 -4.789 1.00 0.00 C ATOM 599 C LEU A 40 6.294 -3.416 -3.483 1.00 0.00 C ATOM 600 O LEU A 40 5.841 -2.568 -2.712 1.00 0.00 O ATOM 601 CB LEU A 40 4.135 -3.245 -4.721 1.00 0.00 C ATOM 602 CG LEU A 40 3.603 -3.013 -6.140 1.00 0.00 C ATOM 603 CD1 LEU A 40 2.756 -4.213 -6.572 1.00 0.00 C ATOM 604 CD2 LEU A 40 2.738 -1.750 -6.162 1.00 0.00 C ATOM 0 H LEU A 40 4.847 -5.719 -4.536 1.00 0.00 H new ATOM 0 HA LEU A 40 6.095 -3.289 -5.622 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.504 -3.964 -4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.099 -2.316 -4.152 1.00 0.00 H new ATOM 0 HG LEU A 40 4.443 -2.893 -6.825 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.378 -4.047 -7.581 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.368 -5.115 -6.557 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.918 -4.333 -5.886 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.360 -1.585 -7.171 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.900 -1.871 -5.476 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.337 -0.893 -5.855 1.00 0.00 H new ATOM 616 N VAL A 41 7.420 -4.080 -3.244 1.00 0.00 N ATOM 617 CA VAL A 41 8.194 -3.832 -2.030 1.00 0.00 C ATOM 618 C VAL A 41 9.221 -2.728 -2.270 1.00 0.00 C ATOM 619 O VAL A 41 9.905 -2.708 -3.293 1.00 0.00 O ATOM 620 CB VAL A 41 8.920 -5.106 -1.585 1.00 0.00 C ATOM 621 CG1 VAL A 41 9.575 -4.874 -0.221 1.00 0.00 C ATOM 622 CG2 VAL A 41 7.914 -6.254 -1.472 1.00 0.00 C ATOM 0 H VAL A 41 7.815 -4.786 -3.866 1.00 0.00 H new ATOM 0 HA VAL A 41 7.502 -3.520 -1.247 1.00 0.00 H new ATOM 0 HB VAL A 41 9.685 -5.359 -2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.091 -5.781 0.094 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.292 -4.056 -0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.809 -4.619 0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.430 -7.160 -1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.149 -5.997 -0.739 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.445 -6.423 -2.441 1.00 0.00 H new ATOM 632 N SER A 42 9.317 -1.810 -1.311 1.00 0.00 N ATOM 633 CA SER A 42 10.263 -0.701 -1.418 1.00 0.00 C ATOM 634 C SER A 42 9.962 0.145 -2.653 1.00 0.00 C ATOM 635 O SER A 42 10.868 0.636 -3.328 1.00 0.00 O ATOM 636 CB SER A 42 11.698 -1.226 -1.503 1.00 0.00 C ATOM 637 OG SER A 42 12.586 -0.137 -1.713 1.00 0.00 O ATOM 0 H SER A 42 8.757 -1.811 -0.458 1.00 0.00 H new ATOM 0 HA SER A 42 10.158 -0.083 -0.526 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.960 -1.752 -0.585 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.787 -1.945 -2.318 1.00 0.00 H new ATOM 0 HG SER A 42 12.449 0.228 -2.612 1.00 0.00 H new ATOM 643 N MET A 43 8.674 0.313 -2.941 1.00 0.00 N ATOM 644 CA MET A 43 8.259 1.105 -4.096 1.00 0.00 C ATOM 645 C MET A 43 8.044 2.558 -3.690 1.00 0.00 C ATOM 646 O MET A 43 7.511 2.847 -2.619 1.00 0.00 O ATOM 647 CB MET A 43 6.961 0.555 -4.687 1.00 0.00 C ATOM 648 CG MET A 43 7.198 -0.859 -5.222 1.00 0.00 C ATOM 649 SD MET A 43 8.310 -0.788 -6.649 1.00 0.00 S ATOM 650 CE MET A 43 7.118 -0.119 -7.834 1.00 0.00 C ATOM 0 H MET A 43 7.907 -0.083 -2.398 1.00 0.00 H new ATOM 0 HA MET A 43 9.048 1.047 -4.846 1.00 0.00 H new ATOM 0 HB2 MET A 43 6.181 0.541 -3.926 1.00 0.00 H new ATOM 0 HB3 MET A 43 6.611 1.204 -5.490 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.630 -1.486 -4.442 1.00 0.00 H new ATOM 0 HG3 MET A 43 6.250 -1.314 -5.509 1.00 0.00 H new ATOM 0 HE1 MET A 43 7.289 -0.565 -8.814 1.00 0.00 H new ATOM 0 HE2 MET A 43 6.106 -0.350 -7.502 1.00 0.00 H new ATOM 0 HE3 MET A 43 7.240 0.962 -7.901 1.00 0.00 H new ATOM 660 N GLN A 44 8.464 3.472 -4.559 1.00 0.00 N ATOM 661 CA GLN A 44 8.313 4.898 -4.283 1.00 0.00 C ATOM 662 C GLN A 44 6.979 5.407 -4.820 1.00 0.00 C ATOM 663 O GLN A 44 6.510 4.972 -5.872 1.00 0.00 O ATOM 664 CB GLN A 44 9.448 5.692 -4.933 1.00 0.00 C ATOM 665 CG GLN A 44 10.706 5.583 -4.070 1.00 0.00 C ATOM 666 CD GLN A 44 11.811 6.446 -4.671 1.00 0.00 C ATOM 667 OE1 GLN A 44 11.856 6.654 -5.883 1.00 0.00 O ATOM 668 NE2 GLN A 44 12.715 6.965 -3.887 1.00 0.00 N ATOM 0 H GLN A 44 8.907 3.255 -5.452 1.00 0.00 H new ATOM 0 HA GLN A 44 8.346 5.037 -3.202 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.647 5.310 -5.934 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.159 6.737 -5.043 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.491 5.906 -3.052 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.032 4.544 -4.012 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.678 6.793 -2.882 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.459 7.543 -4.279 1.00 0.00 H new ATOM 677 N VAL A 45 6.375 6.335 -4.085 1.00 0.00 N ATOM 678 CA VAL A 45 5.093 6.901 -4.495 1.00 0.00 C ATOM 679 C VAL A 45 5.266 8.356 -4.920 1.00 0.00 C ATOM 680 O VAL A 45 6.250 9.008 -4.569 1.00 0.00 O ATOM 681 CB VAL A 45 4.084 6.835 -3.346 1.00 0.00 C ATOM 682 CG1 VAL A 45 3.756 5.373 -3.039 1.00 0.00 C ATOM 683 CG2 VAL A 45 4.685 7.493 -2.102 1.00 0.00 C ATOM 0 H VAL A 45 6.747 6.708 -3.212 1.00 0.00 H new ATOM 0 HA VAL A 45 4.722 6.316 -5.337 1.00 0.00 H new ATOM 0 HB VAL A 45 3.173 7.360 -3.632 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.037 5.325 -2.221 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.329 4.902 -3.925 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.667 4.848 -2.753 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.967 7.447 -1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.596 6.967 -1.816 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.921 8.535 -2.319 1.00 0.00 H new ATOM 693 N ASN A 46 4.297 8.857 -5.681 1.00 0.00 N ATOM 694 CA ASN A 46 4.349 10.239 -6.152 1.00 0.00 C ATOM 695 C ASN A 46 3.231 11.062 -5.519 1.00 0.00 C ATOM 696 O ASN A 46 2.707 11.997 -6.126 1.00 0.00 O ATOM 697 CB ASN A 46 4.205 10.293 -7.676 1.00 0.00 C ATOM 698 CG ASN A 46 2.959 9.526 -8.101 1.00 0.00 C ATOM 699 OD1 ASN A 46 1.992 9.432 -7.345 1.00 0.00 O ATOM 700 ND2 ASN A 46 2.923 8.965 -9.278 1.00 0.00 N ATOM 0 H ASN A 46 3.475 8.334 -5.982 1.00 0.00 H new ATOM 0 HA ASN A 46 5.314 10.655 -5.864 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.137 11.329 -8.008 1.00 0.00 H new ATOM 0 HB3 ASN A 46 5.088 9.863 -8.150 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.094 8.449 -9.572 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.724 9.043 -9.905 1.00 0.00 H new ATOM 707 N ARG A 47 2.872 10.703 -4.289 1.00 0.00 N ATOM 708 CA ARG A 47 1.815 11.414 -3.575 1.00 0.00 C ATOM 709 C ARG A 47 1.629 10.824 -2.181 1.00 0.00 C ATOM 710 O ARG A 47 2.218 9.796 -1.843 1.00 0.00 O ATOM 711 CB ARG A 47 0.490 11.317 -4.336 1.00 0.00 C ATOM 712 CG ARG A 47 0.172 9.849 -4.624 1.00 0.00 C ATOM 713 CD ARG A 47 -1.145 9.756 -5.398 1.00 0.00 C ATOM 714 NE ARG A 47 -1.077 10.539 -6.628 1.00 0.00 N ATOM 715 CZ ARG A 47 -2.152 11.161 -7.106 1.00 0.00 C ATOM 716 NH1 ARG A 47 -2.879 11.904 -6.317 1.00 0.00 N ATOM 717 NH2 ARG A 47 -2.478 11.026 -8.361 1.00 0.00 N ATOM 0 H ARG A 47 3.292 9.932 -3.770 1.00 0.00 H new ATOM 0 HA ARG A 47 2.109 12.460 -3.495 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.312 11.765 -3.749 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.553 11.876 -5.270 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.979 9.397 -5.202 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.098 9.292 -3.690 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.360 8.714 -5.636 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.964 10.117 -4.776 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.191 10.611 -7.129 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.623 12.008 -5.335 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.703 12.381 -6.682 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.909 10.444 -8.976 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.302 11.502 -8.728 1.00 0.00 H new ATOM 731 N ALA A 48 0.804 11.484 -1.375 1.00 0.00 N ATOM 732 CA ALA A 48 0.546 11.015 -0.016 1.00 0.00 C ATOM 733 C ALA A 48 -0.447 9.857 -0.033 1.00 0.00 C ATOM 734 O ALA A 48 -1.392 9.843 -0.821 1.00 0.00 O ATOM 735 CB ALA A 48 -0.019 12.147 0.844 1.00 0.00 C ATOM 0 H ALA A 48 0.307 12.336 -1.634 1.00 0.00 H new ATOM 0 HA ALA A 48 1.491 10.677 0.409 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.205 11.779 1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.698 12.967 0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.953 12.503 0.409 1.00 0.00 H new ATOM 741 N VAL A 49 -0.219 8.887 0.846 1.00 0.00 N ATOM 742 CA VAL A 49 -1.097 7.723 0.926 1.00 0.00 C ATOM 743 C VAL A 49 -1.279 7.290 2.386 1.00 0.00 C ATOM 744 O VAL A 49 -0.488 6.502 2.903 1.00 0.00 O ATOM 745 CB VAL A 49 -0.511 6.553 0.130 1.00 0.00 C ATOM 746 CG1 VAL A 49 -1.530 5.414 0.067 1.00 0.00 C ATOM 747 CG2 VAL A 49 -0.180 7.016 -1.291 1.00 0.00 C ATOM 0 H VAL A 49 0.558 8.882 1.507 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.063 8.001 0.505 1.00 0.00 H new ATOM 0 HB VAL A 49 0.397 6.202 0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.111 4.582 -0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.767 5.082 1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.439 5.765 -0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.237 6.183 -1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.088 7.368 -1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.547 7.827 -1.249 1.00 0.00 H new ATOM 757 N PRO A 50 -2.319 7.793 3.075 1.00 0.00 N ATOM 758 CA PRO A 50 -2.566 7.429 4.483 1.00 0.00 C ATOM 759 C PRO A 50 -3.264 6.077 4.627 1.00 0.00 C ATOM 760 O PRO A 50 -3.427 5.339 3.655 1.00 0.00 O ATOM 761 CB PRO A 50 -3.468 8.560 4.960 1.00 0.00 C ATOM 762 CG PRO A 50 -4.149 9.140 3.727 1.00 0.00 C ATOM 763 CD PRO A 50 -3.308 8.744 2.510 1.00 0.00 C ATOM 0 HA PRO A 50 -1.645 7.320 5.055 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.207 8.190 5.670 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.887 9.325 5.475 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.165 8.756 3.633 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.225 10.225 3.805 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.916 8.279 1.735 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.822 9.609 2.058 1.00 0.00 H new ATOM 771 N LEU A 51 -3.669 5.762 5.853 1.00 0.00 N ATOM 772 CA LEU A 51 -4.346 4.497 6.122 1.00 0.00 C ATOM 773 C LEU A 51 -5.669 4.423 5.367 1.00 0.00 C ATOM 774 O LEU A 51 -6.335 5.436 5.148 1.00 0.00 O ATOM 775 CB LEU A 51 -4.618 4.344 7.621 1.00 0.00 C ATOM 776 CG LEU A 51 -3.331 3.925 8.333 1.00 0.00 C ATOM 777 CD1 LEU A 51 -2.517 5.170 8.690 1.00 0.00 C ATOM 778 CD2 LEU A 51 -3.683 3.164 9.613 1.00 0.00 C ATOM 0 H LEU A 51 -3.542 6.359 6.670 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.694 3.691 5.786 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.984 5.284 8.033 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.396 3.599 7.786 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.744 3.283 7.676 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.600 4.872 9.198 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.267 5.715 7.780 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.103 5.812 9.348 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.767 2.865 10.122 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.269 3.807 10.269 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.264 2.277 9.361 1.00 0.00 H new ATOM 790 N GLY A 52 -6.042 3.208 4.971 1.00 0.00 N ATOM 791 CA GLY A 52 -7.289 3.002 4.240 1.00 0.00 C ATOM 792 C GLY A 52 -7.251 3.704 2.888 1.00 0.00 C ATOM 793 O GLY A 52 -8.056 4.593 2.608 1.00 0.00 O ATOM 0 H GLY A 52 -5.504 2.359 5.142 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.458 1.935 4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.126 3.380 4.827 1.00 0.00 H new ATOM 797 N THR A 53 -6.304 3.293 2.049 1.00 0.00 N ATOM 798 CA THR A 53 -6.165 3.885 0.721 1.00 0.00 C ATOM 799 C THR A 53 -5.854 2.807 -0.311 1.00 0.00 C ATOM 800 O THR A 53 -4.830 2.128 -0.232 1.00 0.00 O ATOM 801 CB THR A 53 -5.041 4.924 0.713 1.00 0.00 C ATOM 802 OG1 THR A 53 -5.206 5.806 1.815 1.00 0.00 O ATOM 803 CG2 THR A 53 -5.089 5.719 -0.592 1.00 0.00 C ATOM 0 H THR A 53 -5.627 2.560 2.262 1.00 0.00 H new ATOM 0 HA THR A 53 -7.108 4.370 0.467 1.00 0.00 H new ATOM 0 HB THR A 53 -4.078 4.420 0.793 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.370 5.854 2.324 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.288 6.459 -0.597 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.962 5.041 -1.436 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.051 6.225 -0.675 1.00 0.00 H new ATOM 811 N THR A 54 -6.752 2.656 -1.281 1.00 0.00 N ATOM 812 CA THR A 54 -6.567 1.655 -2.328 1.00 0.00 C ATOM 813 C THR A 54 -5.300 1.946 -3.127 1.00 0.00 C ATOM 814 O THR A 54 -5.268 2.852 -3.959 1.00 0.00 O ATOM 815 CB THR A 54 -7.766 1.647 -3.281 1.00 0.00 C ATOM 816 OG1 THR A 54 -8.968 1.702 -2.526 1.00 0.00 O ATOM 817 CG2 THR A 54 -7.747 0.368 -4.122 1.00 0.00 C ATOM 0 H THR A 54 -7.606 3.207 -1.364 1.00 0.00 H new ATOM 0 HA THR A 54 -6.478 0.680 -1.848 1.00 0.00 H new ATOM 0 HB THR A 54 -7.710 2.512 -3.942 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.737 1.699 -3.134 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.601 0.365 -4.799 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.825 0.327 -4.701 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.802 -0.500 -3.465 1.00 0.00 H new ATOM 825 N LEU A 55 -4.258 1.165 -2.862 1.00 0.00 N ATOM 826 CA LEU A 55 -2.988 1.343 -3.559 1.00 0.00 C ATOM 827 C LEU A 55 -3.162 1.098 -5.053 1.00 0.00 C ATOM 828 O LEU A 55 -3.386 -0.031 -5.490 1.00 0.00 O ATOM 829 CB LEU A 55 -1.937 0.373 -3.015 1.00 0.00 C ATOM 830 CG LEU A 55 -0.545 0.820 -3.466 1.00 0.00 C ATOM 831 CD1 LEU A 55 -0.022 1.895 -2.513 1.00 0.00 C ATOM 832 CD2 LEU A 55 0.404 -0.380 -3.449 1.00 0.00 C ATOM 0 H LEU A 55 -4.266 0.410 -2.177 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.655 2.368 -3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.985 0.342 -1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.140 -0.637 -3.372 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.602 1.226 -4.476 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.970 2.214 -2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.699 2.750 -2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.036 1.489 -1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.396 -0.064 -3.770 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.461 -0.784 -2.438 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.031 -1.148 -4.126 1.00 0.00 H new ATOM 844 N MET A 56 -3.052 2.170 -5.831 1.00 0.00 N ATOM 845 CA MET A 56 -3.195 2.067 -7.282 1.00 0.00 C ATOM 846 C MET A 56 -1.815 1.991 -7.942 1.00 0.00 C ATOM 847 O MET A 56 -0.819 2.402 -7.349 1.00 0.00 O ATOM 848 CB MET A 56 -3.948 3.279 -7.834 1.00 0.00 C ATOM 849 CG MET A 56 -5.369 3.300 -7.268 1.00 0.00 C ATOM 850 SD MET A 56 -5.965 5.008 -7.200 1.00 0.00 S ATOM 851 CE MET A 56 -7.636 4.690 -7.817 1.00 0.00 C ATOM 0 H MET A 56 -2.866 3.112 -5.487 1.00 0.00 H new ATOM 0 HA MET A 56 -3.759 1.162 -7.506 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.425 4.197 -7.567 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.980 3.236 -8.923 1.00 0.00 H new ATOM 0 HG2 MET A 56 -6.029 2.697 -7.892 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.382 2.859 -6.271 1.00 0.00 H new ATOM 0 HE1 MET A 56 -8.193 5.626 -7.858 1.00 0.00 H new ATOM 0 HE2 MET A 56 -7.579 4.258 -8.816 1.00 0.00 H new ATOM 0 HE3 MET A 56 -8.144 3.994 -7.149 1.00 0.00 H new ATOM 861 N PRO A 57 -1.731 1.467 -9.177 1.00 0.00 N ATOM 862 CA PRO A 57 -0.443 1.355 -9.886 1.00 0.00 C ATOM 863 C PRO A 57 0.013 2.674 -10.515 1.00 0.00 C ATOM 864 O PRO A 57 1.188 2.846 -10.842 1.00 0.00 O ATOM 865 CB PRO A 57 -0.750 0.319 -10.961 1.00 0.00 C ATOM 866 CG PRO A 57 -2.255 0.347 -11.190 1.00 0.00 C ATOM 867 CD PRO A 57 -2.897 0.961 -9.942 1.00 0.00 C ATOM 0 HA PRO A 57 0.374 1.084 -9.218 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.215 0.550 -11.883 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.427 -0.673 -10.644 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.498 0.935 -12.075 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.636 -0.660 -11.362 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.590 1.763 -10.198 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.461 0.222 -9.374 1.00 0.00 H new ATOM 875 N ASP A 58 -0.926 3.604 -10.684 1.00 0.00 N ATOM 876 CA ASP A 58 -0.602 4.899 -11.276 1.00 0.00 C ATOM 877 C ASP A 58 0.160 5.770 -10.280 1.00 0.00 C ATOM 878 O ASP A 58 1.102 6.473 -10.645 1.00 0.00 O ATOM 879 CB ASP A 58 -1.877 5.628 -11.701 1.00 0.00 C ATOM 880 CG ASP A 58 -2.836 5.712 -10.519 1.00 0.00 C ATOM 881 OD1 ASP A 58 -2.645 6.584 -9.687 1.00 0.00 O ATOM 882 OD2 ASP A 58 -3.748 4.903 -10.462 1.00 0.00 O ATOM 0 H ASP A 58 -1.905 3.487 -10.423 1.00 0.00 H new ATOM 0 HA ASP A 58 0.023 4.719 -12.151 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.634 6.629 -12.057 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.350 5.101 -12.530 1.00 0.00 H new ATOM 887 N MET A 59 -0.262 5.721 -9.019 1.00 0.00 N ATOM 888 CA MET A 59 0.381 6.512 -7.980 1.00 0.00 C ATOM 889 C MET A 59 1.791 5.997 -7.699 1.00 0.00 C ATOM 890 O MET A 59 2.681 6.760 -7.326 1.00 0.00 O ATOM 891 CB MET A 59 -0.441 6.463 -6.691 1.00 0.00 C ATOM 892 CG MET A 59 -0.734 5.010 -6.309 1.00 0.00 C ATOM 893 SD MET A 59 -1.181 4.928 -4.558 1.00 0.00 S ATOM 894 CE MET A 59 -2.895 5.480 -4.735 1.00 0.00 C ATOM 0 H MET A 59 -1.040 5.146 -8.696 1.00 0.00 H new ATOM 0 HA MET A 59 0.444 7.541 -8.333 1.00 0.00 H new ATOM 0 HB2 MET A 59 0.102 6.957 -5.885 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.376 7.007 -6.826 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.546 4.618 -6.922 1.00 0.00 H new ATOM 0 HG3 MET A 59 0.140 4.388 -6.502 1.00 0.00 H new ATOM 0 HE1 MET A 59 -3.045 6.392 -4.157 1.00 0.00 H new ATOM 0 HE2 MET A 59 -3.107 5.677 -5.786 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.567 4.704 -4.369 1.00 0.00 H new ATOM 904 N VAL A 60 1.987 4.694 -7.885 1.00 0.00 N ATOM 905 CA VAL A 60 3.296 4.091 -7.649 1.00 0.00 C ATOM 906 C VAL A 60 4.168 4.224 -8.896 1.00 0.00 C ATOM 907 O VAL A 60 4.025 3.469 -9.857 1.00 0.00 O ATOM 908 CB VAL A 60 3.148 2.608 -7.285 1.00 0.00 C ATOM 909 CG1 VAL A 60 4.517 2.016 -6.928 1.00 0.00 C ATOM 910 CG2 VAL A 60 2.207 2.473 -6.082 1.00 0.00 C ATOM 0 H VAL A 60 1.266 4.042 -8.195 1.00 0.00 H new ATOM 0 HA VAL A 60 3.769 4.614 -6.818 1.00 0.00 H new ATOM 0 HB VAL A 60 2.737 2.069 -8.139 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.402 0.963 -6.671 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.188 2.110 -7.782 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.935 2.554 -6.077 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.099 1.420 -5.821 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.621 3.017 -5.233 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.230 2.885 -6.336 1.00 0.00 H new ATOM 920 N LYS A 61 5.074 5.198 -8.865 1.00 0.00 N ATOM 921 CA LYS A 61 5.971 5.428 -9.994 1.00 0.00 C ATOM 922 C LYS A 61 6.894 4.230 -10.194 1.00 0.00 C ATOM 923 O LYS A 61 7.568 3.786 -9.264 1.00 0.00 O ATOM 924 CB LYS A 61 6.821 6.678 -9.756 1.00 0.00 C ATOM 925 CG LYS A 61 6.070 7.911 -10.260 1.00 0.00 C ATOM 926 CD LYS A 61 7.070 8.929 -10.812 1.00 0.00 C ATOM 927 CE LYS A 61 6.457 10.329 -10.760 1.00 0.00 C ATOM 928 NZ LYS A 61 7.154 11.213 -11.736 1.00 0.00 N ATOM 0 H LYS A 61 5.206 5.835 -8.079 1.00 0.00 H new ATOM 0 HA LYS A 61 5.360 5.569 -10.886 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.042 6.783 -8.694 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.776 6.585 -10.273 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.360 7.625 -11.036 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.493 8.355 -9.449 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.991 8.902 -10.229 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.335 8.675 -11.838 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.393 10.281 -10.992 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.545 10.739 -9.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.737 12.165 -11.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.164 11.268 -11.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.048 10.824 -12.695 1.00 0.00 H new ATOM 942 N GLY A 62 6.913 3.712 -11.417 1.00 0.00 N ATOM 943 CA GLY A 62 7.754 2.560 -11.731 1.00 0.00 C ATOM 944 C GLY A 62 6.908 1.300 -11.884 1.00 0.00 C ATOM 945 O GLY A 62 7.251 0.393 -12.641 1.00 0.00 O ATOM 0 H GLY A 62 6.363 4.065 -12.200 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.306 2.747 -12.652 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.491 2.415 -10.941 1.00 0.00 H new ATOM 949 N TYR A 63 5.795 1.257 -11.155 1.00 0.00 N ATOM 950 CA TYR A 63 4.902 0.105 -11.216 1.00 0.00 C ATOM 951 C TYR A 63 3.859 0.297 -12.313 1.00 0.00 C ATOM 952 O TYR A 63 3.012 1.188 -12.235 1.00 0.00 O ATOM 953 CB TYR A 63 4.188 -0.090 -9.875 1.00 0.00 C ATOM 954 CG TYR A 63 3.448 -1.406 -9.886 1.00 0.00 C ATOM 955 CD1 TYR A 63 4.142 -2.614 -9.605 1.00 0.00 C ATOM 956 CD2 TYR A 63 2.059 -1.437 -10.181 1.00 0.00 C ATOM 957 CE1 TYR A 63 3.446 -3.852 -9.618 1.00 0.00 C ATOM 958 CE2 TYR A 63 1.362 -2.674 -10.194 1.00 0.00 C ATOM 959 CZ TYR A 63 2.055 -3.882 -9.913 1.00 0.00 C ATOM 960 OH TYR A 63 1.379 -5.085 -9.926 1.00 0.00 O ATOM 0 H TYR A 63 5.493 1.998 -10.522 1.00 0.00 H new ATOM 0 HA TYR A 63 5.503 -0.777 -11.438 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.911 -0.074 -9.060 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.491 0.730 -9.699 1.00 0.00 H new ATOM 0 HD1 TYR A 63 5.198 -2.591 -9.382 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.532 -0.519 -10.396 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.973 -4.770 -9.404 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.306 -2.697 -10.417 1.00 0.00 H new ATOM 0 HH TYR A 63 2.021 -5.822 -9.857 1.00 0.00 H new