USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 470 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 30 SER OG : rot -26:sc= 1.04 USER MOD Set 1.2: A 33 ASN : amide:sc= -0.0478 X(o=0.99,f=1) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HE2:sc= -0.897 K(o=-0.9,f=-2.3!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 149:sc= -0.174 (180deg=-0.912) USER MOD Single : A 13 CYS SG : rot 60:sc= -1.4 USER MOD Single : A 14 ASN : amide:sc= -0.681 K(o=-0.68,f=-7.6!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 25 ASN : amide:sc=-0.00692 K(o=-0.0069,f=-0.66) USER MOD Single : A 29 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.11) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.562 K(o=-0.56,f=-4.9!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 68:sc= 0.155 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.43 USER MOD Single : A 42 ASN : amide:sc= -0.698 K(o=-0.7,f=-5!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0.267 K(o=0.27,f=-5.6!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -133:sc= -0.119 (180deg=-1.01) USER MOD Single : A 52 ASN : amide:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0816) USER MOD Single : A 63 ASN : amide:sc= -1.8 K(o=-1.8,f=-5.6!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N ILE A 3 1.884 -0.313 1.001 1.00 0.00 N ATOM 32 CA ILE A 3 2.236 0.722 0.036 1.00 0.00 C ATOM 33 C ILE A 3 3.702 1.115 0.183 1.00 0.00 C ATOM 34 O ILE A 3 4.225 1.196 1.295 1.00 0.00 O ATOM 35 CB ILE A 3 1.352 1.953 0.245 1.00 0.00 C ATOM 36 CG1 ILE A 3 1.623 2.973 -0.865 1.00 0.00 C ATOM 37 CG2 ILE A 3 1.669 2.584 1.602 1.00 0.00 C ATOM 38 CD1 ILE A 3 1.093 2.438 -2.197 1.00 0.00 C ATOM 0 HA ILE A 3 2.077 0.327 -0.967 1.00 0.00 H new ATOM 0 HB ILE A 3 0.304 1.655 0.217 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.142 3.922 -0.626 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.693 3.168 -0.940 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.039 3.461 1.751 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.476 1.860 2.394 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.717 2.881 1.629 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.287 3.166 -2.985 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.594 1.500 -2.438 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.020 2.266 -2.119 1.00 0.00 H new ATOM 50 N GLU A 4 4.360 1.358 -0.946 1.00 0.00 N ATOM 51 CA GLU A 4 5.766 1.742 -0.932 1.00 0.00 C ATOM 52 C GLU A 4 5.999 2.886 0.049 1.00 0.00 C ATOM 53 O GLU A 4 5.054 3.544 0.486 1.00 0.00 O ATOM 54 CB GLU A 4 6.203 2.172 -2.334 1.00 0.00 C ATOM 55 CG GLU A 4 5.423 3.420 -2.751 1.00 0.00 C ATOM 56 CD GLU A 4 5.653 3.709 -4.231 1.00 0.00 C ATOM 57 OE1 GLU A 4 6.805 3.786 -4.627 1.00 0.00 O ATOM 58 OE2 GLU A 4 4.675 3.849 -4.946 1.00 0.00 O ATOM 0 H GLU A 4 3.945 1.296 -1.876 1.00 0.00 H new ATOM 0 HA GLU A 4 6.356 0.882 -0.615 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.273 2.378 -2.346 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.026 1.365 -3.045 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.360 3.274 -2.562 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.740 4.274 -2.152 1.00 0.00 H new ATOM 65 N SER A 5 7.262 3.118 0.391 1.00 0.00 N ATOM 66 CA SER A 5 7.605 4.186 1.322 1.00 0.00 C ATOM 67 C SER A 5 7.348 5.550 0.689 1.00 0.00 C ATOM 68 O SER A 5 7.268 5.673 -0.533 1.00 0.00 O ATOM 69 CB SER A 5 9.077 4.077 1.722 1.00 0.00 C ATOM 70 OG SER A 5 9.893 4.387 0.599 1.00 0.00 O ATOM 0 H SER A 5 8.059 2.586 0.041 1.00 0.00 H new ATOM 0 HA SER A 5 6.979 4.085 2.209 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.294 4.760 2.543 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.295 3.070 2.078 1.00 0.00 H new ATOM 0 HG SER A 5 10.837 4.320 0.852 1.00 0.00 H new ATOM 76 N HIS A 6 7.218 6.572 1.529 1.00 0.00 N ATOM 77 CA HIS A 6 6.968 7.923 1.038 1.00 0.00 C ATOM 78 C HIS A 6 8.282 8.672 0.821 1.00 0.00 C ATOM 79 O HIS A 6 8.306 9.902 0.780 1.00 0.00 O ATOM 80 CB HIS A 6 6.098 8.689 2.038 1.00 0.00 C ATOM 81 CG HIS A 6 6.940 9.141 3.201 1.00 0.00 C ATOM 82 ND1 HIS A 6 7.518 10.401 3.250 1.00 0.00 N ATOM 83 CD2 HIS A 6 7.311 8.514 4.365 1.00 0.00 C ATOM 84 CE1 HIS A 6 8.198 10.491 4.407 1.00 0.00 C ATOM 85 NE2 HIS A 6 8.105 9.368 5.125 1.00 0.00 N ATOM 0 H HIS A 6 7.281 6.492 2.544 1.00 0.00 H new ATOM 0 HA HIS A 6 6.447 7.850 0.084 1.00 0.00 H new ATOM 0 HB2 HIS A 6 5.640 9.550 1.551 1.00 0.00 H new ATOM 0 HB3 HIS A 6 5.286 8.053 2.390 1.00 0.00 H new ATOM 0 HD1 HIS A 6 7.441 11.127 2.538 1.00 0.00 H new ATOM 0 HD2 HIS A 6 7.029 7.510 4.648 1.00 0.00 H new ATOM 0 HE1 HIS A 6 8.752 11.365 4.718 1.00 0.00 H new ATOM 94 N GLN A 7 9.374 7.925 0.681 1.00 0.00 N ATOM 95 CA GLN A 7 10.682 8.535 0.471 1.00 0.00 C ATOM 96 C GLN A 7 10.848 8.971 -0.981 1.00 0.00 C ATOM 97 O GLN A 7 10.543 8.217 -1.905 1.00 0.00 O ATOM 98 CB GLN A 7 11.786 7.541 0.837 1.00 0.00 C ATOM 99 CG GLN A 7 13.152 8.206 0.657 1.00 0.00 C ATOM 100 CD GLN A 7 14.261 7.228 1.028 1.00 0.00 C ATOM 101 OE1 GLN A 7 14.309 6.115 0.505 1.00 0.00 O ATOM 102 NE2 GLN A 7 15.161 7.579 1.905 1.00 0.00 N ATOM 0 H GLN A 7 9.379 6.905 0.709 1.00 0.00 H new ATOM 0 HA GLN A 7 10.757 9.414 1.111 1.00 0.00 H new ATOM 0 HB2 GLN A 7 11.664 7.209 1.868 1.00 0.00 H new ATOM 0 HB3 GLN A 7 11.715 6.655 0.207 1.00 0.00 H new ATOM 0 HG2 GLN A 7 13.274 8.532 -0.376 1.00 0.00 H new ATOM 0 HG3 GLN A 7 13.217 9.097 1.282 1.00 0.00 H new ATOM 0 HE21 GLN A 7 15.119 8.502 2.337 1.00 0.00 H new ATOM 0 HE22 GLN A 7 15.906 6.930 2.158 1.00 0.00 H new ATOM 111 N VAL A 8 11.337 10.192 -1.173 1.00 0.00 N ATOM 112 CA VAL A 8 11.543 10.722 -2.516 1.00 0.00 C ATOM 113 C VAL A 8 12.896 11.421 -2.612 1.00 0.00 C ATOM 114 O VAL A 8 13.382 11.989 -1.633 1.00 0.00 O ATOM 115 CB VAL A 8 10.430 11.711 -2.866 1.00 0.00 C ATOM 116 CG1 VAL A 8 10.464 12.886 -1.887 1.00 0.00 C ATOM 117 CG2 VAL A 8 10.638 12.228 -4.290 1.00 0.00 C ATOM 0 H VAL A 8 11.597 10.830 -0.420 1.00 0.00 H new ATOM 0 HA VAL A 8 11.523 9.891 -3.221 1.00 0.00 H new ATOM 0 HB VAL A 8 9.464 11.210 -2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.671 13.591 -2.137 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.316 12.518 -0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.429 13.388 -1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.845 12.933 -4.541 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.604 12.729 -4.358 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.613 11.391 -4.988 1.00 0.00 H new ATOM 127 N GLU A 9 13.498 11.375 -3.795 1.00 0.00 N ATOM 128 CA GLU A 9 14.796 12.008 -4.006 1.00 0.00 C ATOM 129 C GLU A 9 14.717 13.037 -5.130 1.00 0.00 C ATOM 130 O GLU A 9 13.796 13.010 -5.946 1.00 0.00 O ATOM 131 CB GLU A 9 15.851 10.951 -4.351 1.00 0.00 C ATOM 132 CG GLU A 9 15.209 9.805 -5.139 1.00 0.00 C ATOM 133 CD GLU A 9 14.483 10.352 -6.364 1.00 0.00 C ATOM 134 OE1 GLU A 9 15.079 11.141 -7.079 1.00 0.00 O ATOM 135 OE2 GLU A 9 13.341 9.973 -6.569 1.00 0.00 O ATOM 0 H GLU A 9 13.113 10.910 -4.617 1.00 0.00 H new ATOM 0 HA GLU A 9 15.081 12.515 -3.084 1.00 0.00 H new ATOM 0 HB2 GLU A 9 16.651 11.402 -4.937 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.304 10.566 -3.437 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.974 9.093 -5.448 1.00 0.00 H new ATOM 0 HG3 GLU A 9 14.508 9.264 -4.503 1.00 0.00 H new ATOM 142 N LYS A 10 15.689 13.942 -5.164 1.00 0.00 N ATOM 143 CA LYS A 10 15.722 14.977 -6.191 1.00 0.00 C ATOM 144 C LYS A 10 17.147 15.188 -6.693 1.00 0.00 C ATOM 145 O LYS A 10 18.110 14.777 -6.046 1.00 0.00 O ATOM 146 CB LYS A 10 15.174 16.290 -5.627 1.00 0.00 C ATOM 147 CG LYS A 10 16.015 16.722 -4.423 1.00 0.00 C ATOM 148 CD LYS A 10 15.370 17.943 -3.764 1.00 0.00 C ATOM 149 CE LYS A 10 16.196 18.364 -2.546 1.00 0.00 C ATOM 150 NZ LYS A 10 15.504 19.477 -1.838 1.00 0.00 N ATOM 0 H LYS A 10 16.460 13.980 -4.497 1.00 0.00 H new ATOM 0 HA LYS A 10 15.100 14.655 -7.026 1.00 0.00 H new ATOM 0 HB2 LYS A 10 15.195 17.064 -6.394 1.00 0.00 H new ATOM 0 HB3 LYS A 10 14.133 16.164 -5.330 1.00 0.00 H new ATOM 0 HG2 LYS A 10 16.090 15.905 -3.706 1.00 0.00 H new ATOM 0 HG3 LYS A 10 17.030 16.960 -4.741 1.00 0.00 H new ATOM 0 HD2 LYS A 10 15.310 18.765 -4.477 1.00 0.00 H new ATOM 0 HD3 LYS A 10 14.349 17.709 -3.461 1.00 0.00 H new ATOM 0 HE2 LYS A 10 16.329 17.517 -1.873 1.00 0.00 H new ATOM 0 HE3 LYS A 10 17.191 18.681 -2.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 16.065 19.764 -1.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 15.399 20.287 -2.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 14.564 19.159 -1.526 1.00 0.00 H new ATOM 164 N ARG A 11 17.272 15.828 -7.852 1.00 0.00 N ATOM 165 CA ARG A 11 18.584 16.086 -8.436 1.00 0.00 C ATOM 166 C ARG A 11 18.841 17.587 -8.539 1.00 0.00 C ATOM 167 O ARG A 11 18.988 18.131 -9.632 1.00 0.00 O ATOM 168 CB ARG A 11 18.720 15.432 -9.829 1.00 0.00 C ATOM 169 CG ARG A 11 17.372 15.367 -10.577 1.00 0.00 C ATOM 170 CD ARG A 11 17.009 16.747 -11.133 1.00 0.00 C ATOM 171 NE ARG A 11 16.317 17.543 -10.122 1.00 0.00 N ATOM 172 CZ ARG A 11 15.016 17.383 -9.870 1.00 0.00 C ATOM 173 NH1 ARG A 11 14.309 16.494 -10.522 1.00 0.00 N ATOM 174 NH2 ARG A 11 14.440 18.122 -8.961 1.00 0.00 N ATOM 0 H ARG A 11 16.486 16.175 -8.402 1.00 0.00 H new ATOM 0 HA ARG A 11 19.329 15.642 -7.776 1.00 0.00 H new ATOM 0 HB2 ARG A 11 19.437 15.996 -10.425 1.00 0.00 H new ATOM 0 HB3 ARG A 11 19.121 14.424 -9.718 1.00 0.00 H new ATOM 0 HG2 ARG A 11 17.433 14.644 -11.390 1.00 0.00 H new ATOM 0 HG3 ARG A 11 16.589 15.021 -9.902 1.00 0.00 H new ATOM 0 HD2 ARG A 11 17.913 17.264 -11.455 1.00 0.00 H new ATOM 0 HD3 ARG A 11 16.375 16.635 -12.012 1.00 0.00 H new ATOM 0 HE ARG A 11 16.842 18.240 -9.594 1.00 0.00 H new ATOM 0 HH11 ARG A 11 14.752 15.912 -11.233 1.00 0.00 H new ATOM 0 HH12 ARG A 11 13.316 16.383 -10.318 1.00 0.00 H new ATOM 0 HH21 ARG A 11 14.984 18.816 -8.449 1.00 0.00 H new ATOM 0 HH22 ARG A 11 13.446 18.005 -8.763 1.00 0.00 H new ATOM 188 N LYS A 12 18.897 18.251 -7.388 1.00 0.00 N ATOM 189 CA LYS A 12 19.139 19.689 -7.356 1.00 0.00 C ATOM 190 C LYS A 12 20.341 20.051 -8.222 1.00 0.00 C ATOM 191 O LYS A 12 21.228 19.227 -8.445 1.00 0.00 O ATOM 192 CB LYS A 12 19.385 20.146 -5.915 1.00 0.00 C ATOM 193 CG LYS A 12 20.806 19.767 -5.491 1.00 0.00 C ATOM 194 CD LYS A 12 20.961 19.973 -3.982 1.00 0.00 C ATOM 195 CE LYS A 12 20.361 18.778 -3.238 1.00 0.00 C ATOM 196 NZ LYS A 12 21.151 17.553 -3.547 1.00 0.00 N ATOM 0 H LYS A 12 18.779 17.820 -6.471 1.00 0.00 H new ATOM 0 HA LYS A 12 18.258 20.195 -7.751 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.247 21.224 -5.836 1.00 0.00 H new ATOM 0 HB3 LYS A 12 18.659 19.682 -5.247 1.00 0.00 H new ATOM 0 HG2 LYS A 12 21.009 18.728 -5.750 1.00 0.00 H new ATOM 0 HG3 LYS A 12 21.532 20.377 -6.028 1.00 0.00 H new ATOM 0 HD2 LYS A 12 22.015 20.082 -3.726 1.00 0.00 H new ATOM 0 HD3 LYS A 12 20.462 20.893 -3.677 1.00 0.00 H new ATOM 0 HE2 LYS A 12 20.365 18.965 -2.164 1.00 0.00 H new ATOM 0 HE3 LYS A 12 19.321 18.637 -3.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 21.129 16.910 -2.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 20.741 17.075 -4.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 22.136 17.818 -3.753 1.00 0.00 H new ATOM 210 N CYS A 13 20.362 21.286 -8.710 1.00 0.00 N ATOM 211 CA CYS A 13 21.461 21.740 -9.554 1.00 0.00 C ATOM 212 C CYS A 13 22.479 22.529 -8.738 1.00 0.00 C ATOM 213 O CYS A 13 22.327 23.733 -8.533 1.00 0.00 O ATOM 214 CB CYS A 13 20.930 22.616 -10.690 1.00 0.00 C ATOM 215 SG CYS A 13 22.248 22.886 -11.901 1.00 0.00 S ATOM 0 H CYS A 13 19.639 21.984 -8.538 1.00 0.00 H new ATOM 0 HA CYS A 13 21.950 20.861 -9.973 1.00 0.00 H new ATOM 0 HB2 CYS A 13 20.075 22.136 -11.166 1.00 0.00 H new ATOM 0 HB3 CYS A 13 20.581 23.570 -10.296 1.00 0.00 H new ATOM 0 HG CYS A 13 22.640 21.742 -12.378 1.00 0.00 H new ATOM 220 N ASN A 14 23.521 21.843 -8.282 1.00 0.00 N ATOM 221 CA ASN A 14 24.568 22.489 -7.497 1.00 0.00 C ATOM 222 C ASN A 14 25.856 22.637 -8.311 1.00 0.00 C ATOM 223 O ASN A 14 26.870 23.106 -7.793 1.00 0.00 O ATOM 224 CB ASN A 14 24.851 21.674 -6.233 1.00 0.00 C ATOM 225 CG ASN A 14 25.283 20.259 -6.608 1.00 0.00 C ATOM 226 OD1 ASN A 14 25.518 19.970 -7.781 1.00 0.00 O ATOM 227 ND2 ASN A 14 25.401 19.355 -5.674 1.00 0.00 N ATOM 0 H ASN A 14 23.664 20.846 -8.441 1.00 0.00 H new ATOM 0 HA ASN A 14 24.218 23.484 -7.221 1.00 0.00 H new ATOM 0 HB2 ASN A 14 25.632 22.158 -5.646 1.00 0.00 H new ATOM 0 HB3 ASN A 14 23.959 21.637 -5.607 1.00 0.00 H new ATOM 0 HD21 ASN A 14 25.689 18.407 -5.916 1.00 0.00 H new ATOM 0 HD22 ASN A 14 25.206 19.597 -4.703 1.00 0.00 H new ATOM 234 N THR A 15 25.817 22.238 -9.582 1.00 0.00 N ATOM 235 CA THR A 15 26.993 22.340 -10.438 1.00 0.00 C ATOM 236 C THR A 15 27.293 23.798 -10.767 1.00 0.00 C ATOM 237 O THR A 15 26.425 24.663 -10.651 1.00 0.00 O ATOM 238 CB THR A 15 26.771 21.555 -11.735 1.00 0.00 C ATOM 239 OG1 THR A 15 27.893 21.731 -12.588 1.00 0.00 O ATOM 240 CG2 THR A 15 25.509 22.061 -12.438 1.00 0.00 C ATOM 0 H THR A 15 24.992 21.845 -10.036 1.00 0.00 H new ATOM 0 HA THR A 15 27.844 21.918 -9.902 1.00 0.00 H new ATOM 0 HB THR A 15 26.650 20.497 -11.502 1.00 0.00 H new ATOM 0 HG1 THR A 15 27.755 21.229 -13.418 1.00 0.00 H new ATOM 0 HG21 THR A 15 25.356 21.499 -13.360 1.00 0.00 H new ATOM 0 HG22 THR A 15 24.648 21.925 -11.783 1.00 0.00 H new ATOM 0 HG23 THR A 15 25.623 23.119 -12.673 1.00 0.00 H new ATOM 306 N GLN A 21 24.574 30.783 -14.200 1.00 0.00 N ATOM 307 CA GLN A 21 23.259 31.315 -14.540 1.00 0.00 C ATOM 308 C GLN A 21 22.900 32.481 -13.622 1.00 0.00 C ATOM 309 O GLN A 21 22.180 33.396 -14.023 1.00 0.00 O ATOM 310 CB GLN A 21 22.201 30.206 -14.441 1.00 0.00 C ATOM 311 CG GLN A 21 21.324 30.406 -13.200 1.00 0.00 C ATOM 312 CD GLN A 21 20.413 29.197 -13.010 1.00 0.00 C ATOM 313 OE1 GLN A 21 19.822 28.708 -13.973 1.00 0.00 O ATOM 314 NE2 GLN A 21 20.264 28.684 -11.820 1.00 0.00 N ATOM 0 HA GLN A 21 23.285 31.684 -15.565 1.00 0.00 H new ATOM 0 HB2 GLN A 21 21.579 30.208 -15.336 1.00 0.00 H new ATOM 0 HB3 GLN A 21 22.690 29.233 -14.395 1.00 0.00 H new ATOM 0 HG2 GLN A 21 21.951 30.542 -12.319 1.00 0.00 H new ATOM 0 HG3 GLN A 21 20.725 31.310 -13.309 1.00 0.00 H new ATOM 0 HE21 GLN A 21 20.755 29.091 -11.024 1.00 0.00 H new ATOM 0 HE22 GLN A 21 19.657 27.876 -11.685 1.00 0.00 H new ATOM 323 N ARG A 22 23.406 32.449 -12.391 1.00 0.00 N ATOM 324 CA ARG A 22 23.124 33.520 -11.442 1.00 0.00 C ATOM 325 C ARG A 22 23.943 34.762 -11.785 1.00 0.00 C ATOM 326 O ARG A 22 23.549 35.884 -11.466 1.00 0.00 O ATOM 327 CB ARG A 22 23.402 33.048 -10.001 1.00 0.00 C ATOM 328 CG ARG A 22 24.845 33.354 -9.572 1.00 0.00 C ATOM 329 CD ARG A 22 24.904 34.731 -8.905 1.00 0.00 C ATOM 330 NE ARG A 22 25.187 34.590 -7.480 1.00 0.00 N ATOM 331 CZ ARG A 22 26.421 34.361 -7.027 1.00 0.00 C ATOM 332 NH1 ARG A 22 27.430 34.254 -7.855 1.00 0.00 N ATOM 333 NH2 ARG A 22 26.626 34.243 -5.744 1.00 0.00 N ATOM 0 H ARG A 22 24.004 31.705 -12.032 1.00 0.00 H new ATOM 0 HA ARG A 22 22.069 33.783 -11.511 1.00 0.00 H new ATOM 0 HB2 ARG A 22 22.708 33.537 -9.318 1.00 0.00 H new ATOM 0 HB3 ARG A 22 23.220 31.976 -9.928 1.00 0.00 H new ATOM 0 HG2 ARG A 22 25.199 32.589 -8.881 1.00 0.00 H new ATOM 0 HG3 ARG A 22 25.505 33.331 -10.439 1.00 0.00 H new ATOM 0 HD2 ARG A 22 25.675 35.339 -9.378 1.00 0.00 H new ATOM 0 HD3 ARG A 22 23.957 35.252 -9.045 1.00 0.00 H new ATOM 0 HE ARG A 22 24.420 34.669 -6.812 1.00 0.00 H new ATOM 0 HH11 ARG A 22 27.277 34.346 -8.859 1.00 0.00 H new ATOM 0 HH12 ARG A 22 28.368 34.079 -7.496 1.00 0.00 H new ATOM 0 HH21 ARG A 22 25.845 34.326 -5.093 1.00 0.00 H new ATOM 0 HH22 ARG A 22 27.567 34.068 -5.392 1.00 0.00 H new ATOM 347 N LEU A 23 25.082 34.553 -12.439 1.00 0.00 N ATOM 348 CA LEU A 23 25.947 35.662 -12.822 1.00 0.00 C ATOM 349 C LEU A 23 25.261 36.527 -13.874 1.00 0.00 C ATOM 350 O LEU A 23 25.346 37.754 -13.835 1.00 0.00 O ATOM 351 CB LEU A 23 27.273 35.129 -13.375 1.00 0.00 C ATOM 352 CG LEU A 23 28.195 36.296 -13.739 1.00 0.00 C ATOM 353 CD1 LEU A 23 28.577 37.069 -12.474 1.00 0.00 C ATOM 354 CD2 LEU A 23 29.463 35.752 -14.403 1.00 0.00 C ATOM 0 H LEU A 23 25.425 33.632 -12.713 1.00 0.00 H new ATOM 0 HA LEU A 23 26.146 36.269 -11.939 1.00 0.00 H new ATOM 0 HB2 LEU A 23 27.755 34.491 -12.634 1.00 0.00 H new ATOM 0 HB3 LEU A 23 27.088 34.513 -14.255 1.00 0.00 H new ATOM 0 HG LEU A 23 27.676 36.964 -14.427 1.00 0.00 H new ATOM 0 HD11 LEU A 23 29.233 37.898 -12.739 1.00 0.00 H new ATOM 0 HD12 LEU A 23 27.676 37.457 -11.998 1.00 0.00 H new ATOM 0 HD13 LEU A 23 29.094 36.403 -11.783 1.00 0.00 H new ATOM 0 HD21 LEU A 23 30.122 36.581 -14.663 1.00 0.00 H new ATOM 0 HD22 LEU A 23 29.977 35.083 -13.713 1.00 0.00 H new ATOM 0 HD23 LEU A 23 29.194 35.204 -15.306 1.00 0.00 H new ATOM 366 N ALA A 24 24.578 35.878 -14.812 1.00 0.00 N ATOM 367 CA ALA A 24 23.878 36.600 -15.867 1.00 0.00 C ATOM 368 C ALA A 24 22.820 37.519 -15.267 1.00 0.00 C ATOM 369 O ALA A 24 22.642 38.651 -15.716 1.00 0.00 O ATOM 370 CB ALA A 24 23.214 35.612 -16.827 1.00 0.00 C ATOM 0 H ALA A 24 24.495 34.863 -14.863 1.00 0.00 H new ATOM 0 HA ALA A 24 24.603 37.202 -16.415 1.00 0.00 H new ATOM 0 HB1 ALA A 24 22.694 36.161 -17.612 1.00 0.00 H new ATOM 0 HB2 ALA A 24 23.975 34.973 -17.275 1.00 0.00 H new ATOM 0 HB3 ALA A 24 22.500 34.997 -16.280 1.00 0.00 H new ATOM 376 N ASN A 25 22.126 37.028 -14.245 1.00 0.00 N ATOM 377 CA ASN A 25 21.094 37.819 -13.586 1.00 0.00 C ATOM 378 C ASN A 25 21.729 38.917 -12.738 1.00 0.00 C ATOM 379 O ASN A 25 21.118 39.957 -12.493 1.00 0.00 O ATOM 380 CB ASN A 25 20.234 36.917 -12.698 1.00 0.00 C ATOM 381 CG ASN A 25 19.413 35.963 -13.559 1.00 0.00 C ATOM 382 OD1 ASN A 25 18.856 36.370 -14.579 1.00 0.00 O ATOM 383 ND2 ASN A 25 19.305 34.710 -13.209 1.00 0.00 N ATOM 0 H ASN A 25 22.258 36.094 -13.858 1.00 0.00 H new ATOM 0 HA ASN A 25 20.467 38.279 -14.349 1.00 0.00 H new ATOM 0 HB2 ASN A 25 20.870 36.350 -12.018 1.00 0.00 H new ATOM 0 HB3 ASN A 25 19.571 37.525 -12.082 1.00 0.00 H new ATOM 0 HD21 ASN A 25 18.758 34.066 -13.781 1.00 0.00 H new ATOM 0 HD22 ASN A 25 19.767 34.375 -12.364 1.00 0.00 H new ATOM 390 N PHE A 26 22.958 38.675 -12.294 1.00 0.00 N ATOM 391 CA PHE A 26 23.677 39.644 -11.473 1.00 0.00 C ATOM 392 C PHE A 26 24.027 40.891 -12.283 1.00 0.00 C ATOM 393 O PHE A 26 23.966 42.009 -11.770 1.00 0.00 O ATOM 394 CB PHE A 26 24.959 39.011 -10.927 1.00 0.00 C ATOM 395 CG PHE A 26 25.655 39.989 -10.011 1.00 0.00 C ATOM 396 CD1 PHE A 26 25.197 40.167 -8.700 1.00 0.00 C ATOM 397 CD2 PHE A 26 26.758 40.717 -10.473 1.00 0.00 C ATOM 398 CE1 PHE A 26 25.843 41.074 -7.851 1.00 0.00 C ATOM 399 CE2 PHE A 26 27.403 41.624 -9.623 1.00 0.00 C ATOM 400 CZ PHE A 26 26.945 41.802 -8.312 1.00 0.00 C ATOM 0 H PHE A 26 23.476 37.818 -12.488 1.00 0.00 H new ATOM 0 HA PHE A 26 23.031 39.938 -10.645 1.00 0.00 H new ATOM 0 HB2 PHE A 26 24.723 38.095 -10.386 1.00 0.00 H new ATOM 0 HB3 PHE A 26 25.619 38.734 -11.749 1.00 0.00 H new ATOM 0 HD1 PHE A 26 24.346 39.605 -8.344 1.00 0.00 H new ATOM 0 HD2 PHE A 26 27.111 40.579 -11.484 1.00 0.00 H new ATOM 0 HE1 PHE A 26 25.490 41.212 -6.840 1.00 0.00 H new ATOM 0 HE2 PHE A 26 28.254 42.186 -9.979 1.00 0.00 H new ATOM 0 HZ PHE A 26 27.443 42.501 -7.657 1.00 0.00 H new ATOM 410 N LEU A 27 24.398 40.695 -13.544 1.00 0.00 N ATOM 411 CA LEU A 27 24.761 41.816 -14.405 1.00 0.00 C ATOM 412 C LEU A 27 23.573 42.765 -14.555 1.00 0.00 C ATOM 413 O LEU A 27 23.733 43.985 -14.514 1.00 0.00 O ATOM 414 CB LEU A 27 25.212 41.278 -15.780 1.00 0.00 C ATOM 415 CG LEU A 27 25.668 42.399 -16.744 1.00 0.00 C ATOM 416 CD1 LEU A 27 24.457 43.042 -17.440 1.00 0.00 C ATOM 417 CD2 LEU A 27 26.475 43.474 -16.000 1.00 0.00 C ATOM 0 H LEU A 27 24.455 39.779 -13.990 1.00 0.00 H new ATOM 0 HA LEU A 27 25.585 42.372 -13.957 1.00 0.00 H new ATOM 0 HB2 LEU A 27 26.031 40.572 -15.638 1.00 0.00 H new ATOM 0 HB3 LEU A 27 24.390 40.725 -16.236 1.00 0.00 H new ATOM 0 HG LEU A 27 26.310 41.945 -17.499 1.00 0.00 H new ATOM 0 HD11 LEU A 27 24.799 43.828 -18.113 1.00 0.00 H new ATOM 0 HD12 LEU A 27 23.920 42.284 -18.010 1.00 0.00 H new ATOM 0 HD13 LEU A 27 23.792 43.471 -16.690 1.00 0.00 H new ATOM 0 HD21 LEU A 27 26.782 44.249 -16.702 1.00 0.00 H new ATOM 0 HD22 LEU A 27 25.858 43.917 -15.218 1.00 0.00 H new ATOM 0 HD23 LEU A 27 27.358 43.020 -15.551 1.00 0.00 H new ATOM 429 N VAL A 28 22.381 42.202 -14.714 1.00 0.00 N ATOM 430 CA VAL A 28 21.180 43.020 -14.852 1.00 0.00 C ATOM 431 C VAL A 28 20.670 43.450 -13.479 1.00 0.00 C ATOM 432 O VAL A 28 20.052 44.506 -13.341 1.00 0.00 O ATOM 433 CB VAL A 28 20.089 42.248 -15.598 1.00 0.00 C ATOM 434 CG1 VAL A 28 20.613 41.819 -16.969 1.00 0.00 C ATOM 435 CG2 VAL A 28 19.694 41.006 -14.794 1.00 0.00 C ATOM 0 H VAL A 28 22.220 41.195 -14.750 1.00 0.00 H new ATOM 0 HA VAL A 28 21.435 43.910 -15.428 1.00 0.00 H new ATOM 0 HB VAL A 28 19.217 42.890 -15.725 1.00 0.00 H new ATOM 0 HG11 VAL A 28 19.836 41.269 -17.500 1.00 0.00 H new ATOM 0 HG12 VAL A 28 20.891 42.702 -17.545 1.00 0.00 H new ATOM 0 HG13 VAL A 28 21.486 41.180 -16.841 1.00 0.00 H new ATOM 0 HG21 VAL A 28 18.917 40.459 -15.328 1.00 0.00 H new ATOM 0 HG22 VAL A 28 20.566 40.364 -14.664 1.00 0.00 H new ATOM 0 HG23 VAL A 28 19.318 41.309 -13.817 1.00 0.00 H new ATOM 445 N HIS A 29 20.934 42.632 -12.467 1.00 0.00 N ATOM 446 CA HIS A 29 20.498 42.947 -11.111 1.00 0.00 C ATOM 447 C HIS A 29 21.153 44.237 -10.615 1.00 0.00 C ATOM 448 O HIS A 29 20.662 44.869 -9.679 1.00 0.00 O ATOM 449 CB HIS A 29 20.858 41.798 -10.168 1.00 0.00 C ATOM 450 CG HIS A 29 20.414 42.136 -8.772 1.00 0.00 C ATOM 451 ND1 HIS A 29 19.083 42.081 -8.385 1.00 0.00 N ATOM 452 CD2 HIS A 29 21.111 42.537 -7.659 1.00 0.00 C ATOM 453 CE1 HIS A 29 19.023 42.439 -7.090 1.00 0.00 C ATOM 454 NE2 HIS A 29 20.231 42.728 -6.599 1.00 0.00 N ATOM 0 H HIS A 29 21.443 41.753 -12.557 1.00 0.00 H new ATOM 0 HA HIS A 29 19.417 43.086 -11.124 1.00 0.00 H new ATOM 0 HB2 HIS A 29 20.379 40.877 -10.500 1.00 0.00 H new ATOM 0 HB3 HIS A 29 21.934 41.622 -10.186 1.00 0.00 H new ATOM 0 HD2 HIS A 29 22.180 42.682 -7.614 1.00 0.00 H new ATOM 0 HE1 HIS A 29 18.109 42.487 -6.517 1.00 0.00 H new ATOM 0 HE2 HIS A 29 20.459 43.025 -5.650 1.00 0.00 H new ATOM 463 N SER A 30 22.261 44.620 -11.250 1.00 0.00 N ATOM 464 CA SER A 30 22.966 45.839 -10.860 1.00 0.00 C ATOM 465 C SER A 30 23.000 46.855 -12.004 1.00 0.00 C ATOM 466 O SER A 30 23.662 47.888 -11.901 1.00 0.00 O ATOM 467 CB SER A 30 24.393 45.505 -10.425 1.00 0.00 C ATOM 468 OG SER A 30 25.042 46.693 -9.991 1.00 0.00 O ATOM 0 H SER A 30 22.684 44.111 -12.026 1.00 0.00 H new ATOM 0 HA SER A 30 22.425 46.284 -10.025 1.00 0.00 H new ATOM 0 HB2 SER A 30 24.377 44.770 -9.620 1.00 0.00 H new ATOM 0 HB3 SER A 30 24.943 45.058 -11.253 1.00 0.00 H new ATOM 0 HG SER A 30 24.630 47.468 -10.426 1.00 0.00 H new ATOM 474 N SER A 31 22.288 46.563 -13.091 1.00 0.00 N ATOM 475 CA SER A 31 22.256 47.468 -14.234 1.00 0.00 C ATOM 476 C SER A 31 21.611 48.797 -13.856 1.00 0.00 C ATOM 477 O SER A 31 22.050 49.856 -14.304 1.00 0.00 O ATOM 478 CB SER A 31 21.485 46.830 -15.390 1.00 0.00 C ATOM 479 OG SER A 31 21.451 47.734 -16.487 1.00 0.00 O ATOM 0 H SER A 31 21.732 45.715 -13.203 1.00 0.00 H new ATOM 0 HA SER A 31 23.283 47.657 -14.547 1.00 0.00 H new ATOM 0 HB2 SER A 31 21.961 45.896 -15.688 1.00 0.00 H new ATOM 0 HB3 SER A 31 20.471 46.585 -15.075 1.00 0.00 H new ATOM 0 HG SER A 31 20.959 47.328 -17.231 1.00 0.00 H new ATOM 485 N ASN A 32 20.572 48.745 -13.031 1.00 0.00 N ATOM 486 CA ASN A 32 19.891 49.963 -12.610 1.00 0.00 C ATOM 487 C ASN A 32 20.878 50.929 -11.965 1.00 0.00 C ATOM 488 O ASN A 32 20.813 52.139 -12.181 1.00 0.00 O ATOM 489 CB ASN A 32 18.782 49.623 -11.613 1.00 0.00 C ATOM 490 CG ASN A 32 19.360 48.848 -10.434 1.00 0.00 C ATOM 491 OD1 ASN A 32 19.984 47.803 -10.622 1.00 0.00 O ATOM 492 ND2 ASN A 32 19.189 49.300 -9.222 1.00 0.00 N ATOM 0 H ASN A 32 20.186 47.884 -12.644 1.00 0.00 H new ATOM 0 HA ASN A 32 19.455 50.437 -13.489 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.307 50.538 -11.259 1.00 0.00 H new ATOM 0 HB3 ASN A 32 18.009 49.031 -12.104 1.00 0.00 H new ATOM 0 HD21 ASN A 32 19.573 48.788 -8.428 1.00 0.00 H new ATOM 0 HD22 ASN A 32 18.672 50.166 -9.069 1.00 0.00 H new ATOM 499 N ASN A 33 21.794 50.382 -11.174 1.00 0.00 N ATOM 500 CA ASN A 33 22.795 51.203 -10.503 1.00 0.00 C ATOM 501 C ASN A 33 23.728 51.839 -11.528 1.00 0.00 C ATOM 502 O ASN A 33 24.108 53.002 -11.404 1.00 0.00 O ATOM 503 CB ASN A 33 23.606 50.352 -9.523 1.00 0.00 C ATOM 504 CG ASN A 33 22.733 49.944 -8.341 1.00 0.00 C ATOM 505 OD1 ASN A 33 22.532 48.755 -8.098 1.00 0.00 O ATOM 506 ND2 ASN A 33 22.200 50.866 -7.587 1.00 0.00 N ATOM 0 H ASN A 33 21.865 49.383 -10.983 1.00 0.00 H new ATOM 0 HA ASN A 33 22.284 51.991 -9.951 1.00 0.00 H new ATOM 0 HB2 ASN A 33 23.987 49.464 -10.028 1.00 0.00 H new ATOM 0 HB3 ASN A 33 24.471 50.914 -9.170 1.00 0.00 H new ATOM 0 HD21 ASN A 33 21.615 50.601 -6.794 1.00 0.00 H new ATOM 0 HD22 ASN A 33 22.368 51.851 -7.790 1.00 0.00 H new ATOM 513 N PHE A 34 24.087 51.060 -12.543 1.00 0.00 N ATOM 514 CA PHE A 34 24.976 51.547 -13.593 1.00 0.00 C ATOM 515 C PHE A 34 24.450 52.860 -14.164 1.00 0.00 C ATOM 516 O PHE A 34 25.223 53.763 -14.484 1.00 0.00 O ATOM 517 CB PHE A 34 25.095 50.509 -14.711 1.00 0.00 C ATOM 518 CG PHE A 34 26.063 51.006 -15.758 1.00 0.00 C ATOM 519 CD1 PHE A 34 27.442 50.881 -15.552 1.00 0.00 C ATOM 520 CD2 PHE A 34 25.582 51.593 -16.935 1.00 0.00 C ATOM 521 CE1 PHE A 34 28.340 51.341 -16.522 1.00 0.00 C ATOM 522 CE2 PHE A 34 26.480 52.054 -17.905 1.00 0.00 C ATOM 523 CZ PHE A 34 27.858 51.928 -17.699 1.00 0.00 C ATOM 0 H PHE A 34 23.779 50.095 -12.661 1.00 0.00 H new ATOM 0 HA PHE A 34 25.961 51.717 -13.159 1.00 0.00 H new ATOM 0 HB2 PHE A 34 25.439 49.558 -14.304 1.00 0.00 H new ATOM 0 HB3 PHE A 34 24.118 50.329 -15.160 1.00 0.00 H new ATOM 0 HD1 PHE A 34 27.813 50.429 -14.644 1.00 0.00 H new ATOM 0 HD2 PHE A 34 24.518 51.690 -17.094 1.00 0.00 H new ATOM 0 HE1 PHE A 34 29.404 51.243 -16.363 1.00 0.00 H new ATOM 0 HE2 PHE A 34 26.109 52.507 -18.812 1.00 0.00 H new ATOM 0 HZ PHE A 34 28.550 52.283 -18.448 1.00 0.00 H new ATOM 533 N GLY A 35 23.131 52.964 -14.279 1.00 0.00 N ATOM 534 CA GLY A 35 22.513 54.178 -14.800 1.00 0.00 C ATOM 535 C GLY A 35 22.817 55.368 -13.896 1.00 0.00 C ATOM 536 O GLY A 35 23.295 56.403 -14.361 1.00 0.00 O ATOM 0 H GLY A 35 22.473 52.229 -14.021 1.00 0.00 H new ATOM 0 HA2 GLY A 35 22.881 54.376 -15.807 1.00 0.00 H new ATOM 0 HA3 GLY A 35 21.435 54.039 -14.876 1.00 0.00 H new ATOM 540 N ALA A 36 22.541 55.220 -12.604 1.00 0.00 N ATOM 541 CA ALA A 36 22.796 56.298 -11.655 1.00 0.00 C ATOM 542 C ALA A 36 24.280 56.655 -11.635 1.00 0.00 C ATOM 543 O ALA A 36 24.646 57.827 -11.543 1.00 0.00 O ATOM 544 CB ALA A 36 22.353 55.874 -10.253 1.00 0.00 C ATOM 0 H ALA A 36 22.145 54.374 -12.194 1.00 0.00 H new ATOM 0 HA ALA A 36 22.227 57.174 -11.967 1.00 0.00 H new ATOM 0 HB1 ALA A 36 22.547 56.684 -9.550 1.00 0.00 H new ATOM 0 HB2 ALA A 36 21.287 55.648 -10.261 1.00 0.00 H new ATOM 0 HB3 ALA A 36 22.910 54.988 -9.948 1.00 0.00 H new ATOM 550 N ILE A 37 25.128 55.636 -11.723 1.00 0.00 N ATOM 551 CA ILE A 37 26.571 55.849 -11.715 1.00 0.00 C ATOM 552 C ILE A 37 26.973 56.837 -12.805 1.00 0.00 C ATOM 553 O ILE A 37 27.911 57.617 -12.637 1.00 0.00 O ATOM 554 CB ILE A 37 27.292 54.513 -11.934 1.00 0.00 C ATOM 555 CG1 ILE A 37 27.701 53.933 -10.577 1.00 0.00 C ATOM 556 CG2 ILE A 37 28.544 54.724 -12.791 1.00 0.00 C ATOM 557 CD1 ILE A 37 26.485 53.296 -9.903 1.00 0.00 C ATOM 0 H ILE A 37 24.844 54.660 -11.800 1.00 0.00 H new ATOM 0 HA ILE A 37 26.857 56.263 -10.748 1.00 0.00 H new ATOM 0 HB ILE A 37 26.621 53.824 -12.447 1.00 0.00 H new ATOM 0 HG12 ILE A 37 28.487 53.189 -10.710 1.00 0.00 H new ATOM 0 HG13 ILE A 37 28.111 54.719 -9.943 1.00 0.00 H new ATOM 0 HG21 ILE A 37 29.048 53.769 -12.940 1.00 0.00 H new ATOM 0 HG22 ILE A 37 28.258 55.138 -13.758 1.00 0.00 H new ATOM 0 HG23 ILE A 37 29.219 55.415 -12.286 1.00 0.00 H new ATOM 0 HD11 ILE A 37 26.778 52.884 -8.938 1.00 0.00 H new ATOM 0 HD12 ILE A 37 25.713 54.052 -9.756 1.00 0.00 H new ATOM 0 HD13 ILE A 37 26.095 52.498 -10.535 1.00 0.00 H new ATOM 569 N LEU A 38 26.256 56.795 -13.923 1.00 0.00 N ATOM 570 CA LEU A 38 26.543 57.685 -15.042 1.00 0.00 C ATOM 571 C LEU A 38 26.040 59.097 -14.754 1.00 0.00 C ATOM 572 O LEU A 38 26.570 60.072 -15.287 1.00 0.00 O ATOM 573 CB LEU A 38 25.882 57.150 -16.316 1.00 0.00 C ATOM 574 CG LEU A 38 26.236 58.046 -17.507 1.00 0.00 C ATOM 575 CD1 LEU A 38 27.738 57.960 -17.791 1.00 0.00 C ATOM 576 CD2 LEU A 38 25.459 57.578 -18.740 1.00 0.00 C ATOM 0 H LEU A 38 25.475 56.157 -14.078 1.00 0.00 H new ATOM 0 HA LEU A 38 27.623 57.724 -15.182 1.00 0.00 H new ATOM 0 HB2 LEU A 38 26.214 56.130 -16.507 1.00 0.00 H new ATOM 0 HB3 LEU A 38 24.800 57.114 -16.187 1.00 0.00 H new ATOM 0 HG LEU A 38 25.972 59.078 -17.274 1.00 0.00 H new ATOM 0 HD11 LEU A 38 27.985 58.599 -18.639 1.00 0.00 H new ATOM 0 HD12 LEU A 38 28.294 58.291 -16.913 1.00 0.00 H new ATOM 0 HD13 LEU A 38 28.006 56.929 -18.023 1.00 0.00 H new ATOM 0 HD21 LEU A 38 25.708 58.213 -19.590 1.00 0.00 H new ATOM 0 HD22 LEU A 38 25.726 56.546 -18.968 1.00 0.00 H new ATOM 0 HD23 LEU A 38 24.389 57.641 -18.541 1.00 0.00 H new ATOM 588 N SER A 39 25.019 59.204 -13.910 1.00 0.00 N ATOM 589 CA SER A 39 24.464 60.509 -13.568 1.00 0.00 C ATOM 590 C SER A 39 25.230 61.145 -12.407 1.00 0.00 C ATOM 591 O SER A 39 24.767 62.117 -11.810 1.00 0.00 O ATOM 592 CB SER A 39 22.991 60.364 -13.187 1.00 0.00 C ATOM 593 OG SER A 39 22.263 59.873 -14.304 1.00 0.00 O ATOM 0 H SER A 39 24.563 58.413 -13.455 1.00 0.00 H new ATOM 0 HA SER A 39 24.557 61.156 -14.441 1.00 0.00 H new ATOM 0 HB2 SER A 39 22.887 59.682 -12.343 1.00 0.00 H new ATOM 0 HB3 SER A 39 22.589 61.327 -12.871 1.00 0.00 H new ATOM 0 HG SER A 39 21.318 59.777 -14.062 1.00 0.00 H new ATOM 599 N SER A 40 26.402 60.598 -12.090 1.00 0.00 N ATOM 600 CA SER A 40 27.211 61.130 -11.000 1.00 0.00 C ATOM 601 C SER A 40 28.379 61.942 -11.548 1.00 0.00 C ATOM 602 O SER A 40 29.474 61.930 -10.987 1.00 0.00 O ATOM 603 CB SER A 40 27.742 59.986 -10.136 1.00 0.00 C ATOM 604 OG SER A 40 26.648 59.258 -9.596 1.00 0.00 O ATOM 0 H SER A 40 26.808 59.794 -12.569 1.00 0.00 H new ATOM 0 HA SER A 40 26.584 61.782 -10.392 1.00 0.00 H new ATOM 0 HB2 SER A 40 28.373 59.327 -10.733 1.00 0.00 H new ATOM 0 HB3 SER A 40 28.363 60.380 -9.332 1.00 0.00 H new ATOM 0 HG SER A 40 26.184 58.783 -10.316 1.00 0.00 H new ATOM 610 N THR A 41 28.138 62.645 -12.650 1.00 0.00 N ATOM 611 CA THR A 41 29.177 63.460 -13.270 1.00 0.00 C ATOM 612 C THR A 41 29.763 64.453 -12.268 1.00 0.00 C ATOM 613 O THR A 41 30.866 64.963 -12.464 1.00 0.00 O ATOM 614 CB THR A 41 28.598 64.222 -14.464 1.00 0.00 C ATOM 615 OG1 THR A 41 29.649 64.873 -15.163 1.00 0.00 O ATOM 616 CG2 THR A 41 27.591 65.261 -13.969 1.00 0.00 C ATOM 0 H THR A 41 27.238 62.667 -13.130 1.00 0.00 H new ATOM 0 HA THR A 41 29.973 62.797 -13.608 1.00 0.00 H new ATOM 0 HB THR A 41 28.095 63.523 -15.132 1.00 0.00 H new ATOM 0 HG1 THR A 41 29.280 65.360 -15.929 1.00 0.00 H new ATOM 0 HG21 THR A 41 27.179 65.803 -14.820 1.00 0.00 H new ATOM 0 HG22 THR A 41 26.785 64.760 -13.434 1.00 0.00 H new ATOM 0 HG23 THR A 41 28.090 65.962 -13.300 1.00 0.00 H new ATOM 624 N ASN A 42 29.022 64.728 -11.198 1.00 0.00 N ATOM 625 CA ASN A 42 29.486 65.665 -10.181 1.00 0.00 C ATOM 626 C ASN A 42 30.417 64.981 -9.177 1.00 0.00 C ATOM 627 O ASN A 42 30.753 65.559 -8.144 1.00 0.00 O ATOM 628 CB ASN A 42 28.288 66.261 -9.440 1.00 0.00 C ATOM 629 CG ASN A 42 27.612 65.186 -8.595 1.00 0.00 C ATOM 630 OD1 ASN A 42 27.879 63.998 -8.771 1.00 0.00 O ATOM 631 ND2 ASN A 42 26.746 65.535 -7.682 1.00 0.00 N ATOM 0 H ASN A 42 28.106 64.319 -11.014 1.00 0.00 H new ATOM 0 HA ASN A 42 30.044 66.456 -10.682 1.00 0.00 H new ATOM 0 HB2 ASN A 42 28.615 67.083 -8.804 1.00 0.00 H new ATOM 0 HB3 ASN A 42 27.577 66.675 -10.155 1.00 0.00 H new ATOM 0 HD21 ASN A 42 26.289 64.822 -7.113 1.00 0.00 H new ATOM 0 HD22 ASN A 42 26.526 66.521 -7.538 1.00 0.00 H new ATOM 638 N VAL A 43 30.833 63.753 -9.482 1.00 0.00 N ATOM 639 CA VAL A 43 31.723 63.018 -8.591 1.00 0.00 C ATOM 640 C VAL A 43 33.182 63.271 -8.961 1.00 0.00 C ATOM 641 O VAL A 43 34.075 63.146 -8.123 1.00 0.00 O ATOM 642 CB VAL A 43 31.426 61.520 -8.674 1.00 0.00 C ATOM 643 CG1 VAL A 43 32.021 60.951 -9.964 1.00 0.00 C ATOM 644 CG2 VAL A 43 32.049 60.810 -7.470 1.00 0.00 C ATOM 0 H VAL A 43 30.570 63.252 -10.331 1.00 0.00 H new ATOM 0 HA VAL A 43 31.553 63.366 -7.572 1.00 0.00 H new ATOM 0 HB VAL A 43 30.347 61.363 -8.672 1.00 0.00 H new ATOM 0 HG11 VAL A 43 31.809 59.883 -10.023 1.00 0.00 H new ATOM 0 HG12 VAL A 43 31.579 61.456 -10.823 1.00 0.00 H new ATOM 0 HG13 VAL A 43 33.100 61.107 -9.967 1.00 0.00 H new ATOM 0 HG21 VAL A 43 31.838 59.742 -7.528 1.00 0.00 H new ATOM 0 HG22 VAL A 43 33.128 60.967 -7.473 1.00 0.00 H new ATOM 0 HG23 VAL A 43 31.626 61.214 -6.550 1.00 0.00 H new ATOM 654 N GLY A 44 33.416 63.622 -10.222 1.00 0.00 N ATOM 655 CA GLY A 44 34.772 63.885 -10.692 1.00 0.00 C ATOM 656 C GLY A 44 35.083 63.094 -11.964 1.00 0.00 C ATOM 657 O GLY A 44 36.096 63.338 -12.619 1.00 0.00 O ATOM 0 H GLY A 44 32.691 63.730 -10.931 1.00 0.00 H new ATOM 0 HA2 GLY A 44 34.892 64.951 -10.886 1.00 0.00 H new ATOM 0 HA3 GLY A 44 35.487 63.620 -9.913 1.00 0.00 H new ATOM 661 N SER A 45 34.212 62.148 -12.310 1.00 0.00 N ATOM 662 CA SER A 45 34.415 61.337 -13.505 1.00 0.00 C ATOM 663 C SER A 45 33.721 61.968 -14.708 1.00 0.00 C ATOM 664 O SER A 45 33.220 61.265 -15.586 1.00 0.00 O ATOM 665 CB SER A 45 33.866 59.928 -13.278 1.00 0.00 C ATOM 666 OG SER A 45 32.472 60.004 -13.012 1.00 0.00 O ATOM 0 H SER A 45 33.367 61.927 -11.784 1.00 0.00 H new ATOM 0 HA SER A 45 35.485 61.283 -13.706 1.00 0.00 H new ATOM 0 HB2 SER A 45 34.047 59.309 -14.157 1.00 0.00 H new ATOM 0 HB3 SER A 45 34.382 59.454 -12.443 1.00 0.00 H new ATOM 0 HG SER A 45 32.117 59.102 -12.868 1.00 0.00 H new ATOM 672 N ASN A 46 33.693 63.297 -14.740 1.00 0.00 N ATOM 673 CA ASN A 46 33.054 64.013 -15.840 1.00 0.00 C ATOM 674 C ASN A 46 34.018 64.201 -17.012 1.00 0.00 C ATOM 675 O ASN A 46 33.765 65.007 -17.907 1.00 0.00 O ATOM 676 CB ASN A 46 32.570 65.382 -15.357 1.00 0.00 C ATOM 677 CG ASN A 46 33.762 66.255 -14.982 1.00 0.00 C ATOM 678 OD1 ASN A 46 34.760 65.754 -14.463 1.00 0.00 O ATOM 679 ND2 ASN A 46 33.719 67.538 -15.215 1.00 0.00 N ATOM 0 H ASN A 46 34.102 63.896 -14.023 1.00 0.00 H new ATOM 0 HA ASN A 46 32.206 63.419 -16.181 1.00 0.00 H new ATOM 0 HB2 ASN A 46 31.986 65.867 -16.139 1.00 0.00 H new ATOM 0 HB3 ASN A 46 31.912 65.261 -14.496 1.00 0.00 H new ATOM 0 HD21 ASN A 46 34.513 68.128 -14.967 1.00 0.00 H new ATOM 0 HD22 ASN A 46 32.891 67.951 -15.645 1.00 0.00 H new ATOM 686 N THR A 47 35.122 63.455 -17.008 1.00 0.00 N ATOM 687 CA THR A 47 36.102 63.558 -18.083 1.00 0.00 C ATOM 688 C THR A 47 35.810 62.533 -19.175 1.00 0.00 C ATOM 689 O THR A 47 36.717 62.079 -19.873 1.00 0.00 O ATOM 690 CB THR A 47 37.511 63.329 -17.530 1.00 0.00 C ATOM 691 OG1 THR A 47 37.610 63.908 -16.237 1.00 0.00 O ATOM 692 CG2 THR A 47 38.537 63.976 -18.462 1.00 0.00 C ATOM 0 H THR A 47 35.357 62.780 -16.280 1.00 0.00 H new ATOM 0 HA THR A 47 36.038 64.558 -18.512 1.00 0.00 H new ATOM 0 HB THR A 47 37.707 62.259 -17.464 1.00 0.00 H new ATOM 0 HG1 THR A 47 38.511 63.761 -15.881 1.00 0.00 H new ATOM 0 HG21 THR A 47 39.540 63.813 -18.068 1.00 0.00 H new ATOM 0 HG22 THR A 47 38.460 63.530 -19.454 1.00 0.00 H new ATOM 0 HG23 THR A 47 38.343 65.047 -18.529 1.00 0.00 H new ATOM 700 N TYR A 48 34.538 62.174 -19.316 1.00 0.00 N ATOM 701 CA TYR A 48 34.137 61.201 -20.327 1.00 0.00 C ATOM 702 C TYR A 48 33.517 61.899 -21.536 1.00 0.00 C ATOM 703 O TYR A 48 32.804 61.277 -22.323 1.00 0.00 O ATOM 704 CB TYR A 48 33.130 60.212 -19.731 1.00 0.00 C ATOM 705 CG TYR A 48 31.818 60.913 -19.462 1.00 0.00 C ATOM 706 CD1 TYR A 48 30.781 60.843 -20.401 1.00 0.00 C ATOM 707 CD2 TYR A 48 31.636 61.629 -18.273 1.00 0.00 C ATOM 708 CE1 TYR A 48 29.565 61.490 -20.151 1.00 0.00 C ATOM 709 CE2 TYR A 48 30.420 62.276 -18.023 1.00 0.00 C ATOM 710 CZ TYR A 48 29.385 62.207 -18.962 1.00 0.00 C ATOM 711 OH TYR A 48 28.186 62.845 -18.716 1.00 0.00 O ATOM 0 H TYR A 48 33.773 62.538 -18.749 1.00 0.00 H new ATOM 0 HA TYR A 48 35.026 60.662 -20.654 1.00 0.00 H new ATOM 0 HB2 TYR A 48 32.974 59.380 -20.418 1.00 0.00 H new ATOM 0 HB3 TYR A 48 33.524 59.792 -18.806 1.00 0.00 H new ATOM 0 HD1 TYR A 48 30.920 60.290 -21.318 1.00 0.00 H new ATOM 0 HD2 TYR A 48 32.435 61.682 -17.548 1.00 0.00 H new ATOM 0 HE1 TYR A 48 28.766 61.436 -20.875 1.00 0.00 H new ATOM 0 HE2 TYR A 48 30.281 62.828 -17.105 1.00 0.00 H new ATOM 0 HH TYR A 48 28.227 63.295 -17.846 1.00 0.00 H new ATOM 721 N GLY A 49 33.794 63.193 -21.683 1.00 0.00 N ATOM 722 CA GLY A 49 33.255 63.955 -22.802 1.00 0.00 C ATOM 723 C GLY A 49 33.559 63.266 -24.128 1.00 0.00 C ATOM 724 O GLY A 49 34.636 62.698 -24.311 1.00 0.00 O ATOM 0 H GLY A 49 34.383 63.730 -21.047 1.00 0.00 H new ATOM 0 HA2 GLY A 49 32.177 64.067 -22.685 1.00 0.00 H new ATOM 0 HA3 GLY A 49 33.682 64.958 -22.803 1.00 0.00 H new ATOM 728 N LYS A 50 32.603 63.322 -25.049 1.00 0.00 N ATOM 729 CA LYS A 50 32.777 62.701 -26.356 1.00 0.00 C ATOM 730 C LYS A 50 33.937 63.346 -27.107 1.00 0.00 C ATOM 731 O LYS A 50 34.675 62.671 -27.826 1.00 0.00 O ATOM 732 CB LYS A 50 31.494 62.844 -27.176 1.00 0.00 C ATOM 733 CG LYS A 50 30.404 61.951 -26.580 1.00 0.00 C ATOM 734 CD LYS A 50 29.187 61.938 -27.508 1.00 0.00 C ATOM 735 CE LYS A 50 28.479 63.293 -27.446 1.00 0.00 C ATOM 736 NZ LYS A 50 28.011 63.546 -26.054 1.00 0.00 N ATOM 0 H LYS A 50 31.705 63.788 -24.916 1.00 0.00 H new ATOM 0 HA LYS A 50 32.999 61.644 -26.208 1.00 0.00 H new ATOM 0 HB2 LYS A 50 31.166 63.883 -27.179 1.00 0.00 H new ATOM 0 HB3 LYS A 50 31.680 62.566 -28.213 1.00 0.00 H new ATOM 0 HG2 LYS A 50 30.783 60.938 -26.446 1.00 0.00 H new ATOM 0 HG3 LYS A 50 30.118 62.317 -25.594 1.00 0.00 H new ATOM 0 HD2 LYS A 50 29.499 61.726 -28.531 1.00 0.00 H new ATOM 0 HD3 LYS A 50 28.501 61.144 -27.213 1.00 0.00 H new ATOM 0 HE2 LYS A 50 29.158 64.085 -27.762 1.00 0.00 H new ATOM 0 HE3 LYS A 50 27.633 63.305 -28.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 27.024 63.874 -26.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 28.073 62.667 -25.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 28.609 64.274 -25.614 1.00 0.00 H new ATOM 750 N ARG A 51 34.087 64.656 -26.940 1.00 0.00 N ATOM 751 CA ARG A 51 35.157 65.386 -27.612 1.00 0.00 C ATOM 752 C ARG A 51 36.494 64.676 -27.425 1.00 0.00 C ATOM 753 O ARG A 51 37.358 64.721 -28.299 1.00 0.00 O ATOM 754 CB ARG A 51 35.249 66.812 -27.062 1.00 0.00 C ATOM 755 CG ARG A 51 35.737 66.776 -25.612 1.00 0.00 C ATOM 756 CD ARG A 51 35.720 68.192 -25.034 1.00 0.00 C ATOM 757 NE ARG A 51 36.203 68.180 -23.656 1.00 0.00 N ATOM 758 CZ ARG A 51 35.418 67.820 -22.639 1.00 0.00 C ATOM 759 NH1 ARG A 51 34.177 67.456 -22.845 1.00 0.00 N ATOM 760 NH2 ARG A 51 35.893 67.828 -21.424 1.00 0.00 N ATOM 0 H ARG A 51 33.486 65.231 -26.350 1.00 0.00 H new ATOM 0 HA ARG A 51 34.927 65.425 -28.677 1.00 0.00 H new ATOM 0 HB2 ARG A 51 35.933 67.403 -27.671 1.00 0.00 H new ATOM 0 HB3 ARG A 51 34.274 67.296 -27.116 1.00 0.00 H new ATOM 0 HG2 ARG A 51 35.099 66.121 -25.018 1.00 0.00 H new ATOM 0 HG3 ARG A 51 36.746 66.365 -25.566 1.00 0.00 H new ATOM 0 HD2 ARG A 51 36.345 68.848 -25.640 1.00 0.00 H new ATOM 0 HD3 ARG A 51 34.708 68.595 -25.069 1.00 0.00 H new ATOM 0 HE ARG A 51 37.167 68.454 -23.466 1.00 0.00 H new ATOM 0 HH11 ARG A 51 33.799 67.445 -23.792 1.00 0.00 H new ATOM 0 HH12 ARG A 51 33.588 67.183 -22.058 1.00 0.00 H new ATOM 0 HH21 ARG A 51 36.859 68.108 -21.256 1.00 0.00 H new ATOM 0 HH22 ARG A 51 35.298 67.554 -20.642 1.00 0.00 H new ATOM 774 N ASN A 52 36.661 64.021 -26.281 1.00 0.00 N ATOM 775 CA ASN A 52 37.900 63.307 -25.998 1.00 0.00 C ATOM 776 C ASN A 52 38.075 62.141 -26.964 1.00 0.00 C ATOM 777 O ASN A 52 39.168 61.898 -27.475 1.00 0.00 O ATOM 778 CB ASN A 52 37.882 62.779 -24.562 1.00 0.00 C ATOM 779 CG ASN A 52 39.299 62.428 -24.119 1.00 0.00 C ATOM 780 OD1 ASN A 52 39.924 63.187 -23.379 1.00 0.00 O ATOM 781 ND2 ASN A 52 39.846 61.316 -24.531 1.00 0.00 N ATOM 0 H ASN A 52 35.961 63.970 -25.541 1.00 0.00 H new ATOM 0 HA ASN A 52 38.733 63.999 -26.121 1.00 0.00 H new ATOM 0 HB2 ASN A 52 37.459 63.530 -23.895 1.00 0.00 H new ATOM 0 HB3 ASN A 52 37.243 61.898 -24.497 1.00 0.00 H new ATOM 0 HD21 ASN A 52 40.793 61.075 -24.239 1.00 0.00 H new ATOM 0 HD22 ASN A 52 39.326 60.688 -25.144 1.00 0.00 H new ATOM 788 N ALA A 53 36.984 61.421 -27.204 1.00 0.00 N ATOM 789 CA ALA A 53 37.014 60.274 -28.104 1.00 0.00 C ATOM 790 C ALA A 53 37.384 60.705 -29.521 1.00 0.00 C ATOM 791 O ALA A 53 38.276 60.128 -30.142 1.00 0.00 O ATOM 792 CB ALA A 53 35.646 59.591 -28.121 1.00 0.00 C ATOM 0 H ALA A 53 36.071 61.610 -26.790 1.00 0.00 H new ATOM 0 HA ALA A 53 37.769 59.576 -27.743 1.00 0.00 H new ATOM 0 HB1 ALA A 53 35.675 58.735 -28.795 1.00 0.00 H new ATOM 0 HB2 ALA A 53 35.396 59.253 -27.116 1.00 0.00 H new ATOM 0 HB3 ALA A 53 34.891 60.298 -28.464 1.00 0.00 H new ATOM 798 N VAL A 54 36.688 61.717 -30.027 1.00 0.00 N ATOM 799 CA VAL A 54 36.945 62.213 -31.375 1.00 0.00 C ATOM 800 C VAL A 54 38.339 62.828 -31.477 1.00 0.00 C ATOM 801 O VAL A 54 38.890 62.953 -32.572 1.00 0.00 O ATOM 802 CB VAL A 54 35.891 63.259 -31.754 1.00 0.00 C ATOM 803 CG1 VAL A 54 36.445 64.668 -31.522 1.00 0.00 C ATOM 804 CG2 VAL A 54 35.520 63.093 -33.230 1.00 0.00 C ATOM 0 H VAL A 54 35.946 62.208 -29.528 1.00 0.00 H new ATOM 0 HA VAL A 54 36.890 61.370 -32.064 1.00 0.00 H new ATOM 0 HB VAL A 54 35.006 63.118 -31.134 1.00 0.00 H new ATOM 0 HG11 VAL A 54 35.690 65.405 -31.794 1.00 0.00 H new ATOM 0 HG12 VAL A 54 36.707 64.787 -30.471 1.00 0.00 H new ATOM 0 HG13 VAL A 54 37.333 64.815 -32.136 1.00 0.00 H new ATOM 0 HG21 VAL A 54 34.770 63.836 -33.502 1.00 0.00 H new ATOM 0 HG22 VAL A 54 36.408 63.231 -33.846 1.00 0.00 H new ATOM 0 HG23 VAL A 54 35.117 62.094 -33.394 1.00 0.00 H new ATOM 814 N GLU A 55 38.908 63.211 -30.338 1.00 0.00 N ATOM 815 CA GLU A 55 40.235 63.812 -30.335 1.00 0.00 C ATOM 816 C GLU A 55 41.290 62.777 -30.710 1.00 0.00 C ATOM 817 O GLU A 55 42.034 62.957 -31.673 1.00 0.00 O ATOM 818 CB GLU A 55 40.549 64.392 -28.954 1.00 0.00 C ATOM 819 CG GLU A 55 41.104 65.809 -29.110 1.00 0.00 C ATOM 820 CD GLU A 55 42.523 65.756 -29.663 1.00 0.00 C ATOM 821 OE1 GLU A 55 43.247 64.844 -29.298 1.00 0.00 O ATOM 822 OE2 GLU A 55 42.867 66.628 -30.445 1.00 0.00 O ATOM 0 H GLU A 55 38.477 63.117 -29.418 1.00 0.00 H new ATOM 0 HA GLU A 55 40.251 64.615 -31.072 1.00 0.00 H new ATOM 0 HB2 GLU A 55 39.648 64.408 -28.341 1.00 0.00 H new ATOM 0 HB3 GLU A 55 41.273 63.761 -28.439 1.00 0.00 H new ATOM 0 HG2 GLU A 55 40.466 66.387 -29.779 1.00 0.00 H new ATOM 0 HG3 GLU A 55 41.099 66.318 -28.146 1.00 0.00 H new ATOM 829 N VAL A 56 41.349 61.691 -29.944 1.00 0.00 N ATOM 830 CA VAL A 56 42.320 60.638 -30.215 1.00 0.00 C ATOM 831 C VAL A 56 42.091 60.048 -31.603 1.00 0.00 C ATOM 832 O VAL A 56 43.018 59.536 -32.231 1.00 0.00 O ATOM 833 CB VAL A 56 42.215 59.536 -29.156 1.00 0.00 C ATOM 834 CG1 VAL A 56 40.805 58.943 -29.161 1.00 0.00 C ATOM 835 CG2 VAL A 56 43.231 58.435 -29.469 1.00 0.00 C ATOM 0 H VAL A 56 40.744 61.519 -29.141 1.00 0.00 H new ATOM 0 HA VAL A 56 43.319 61.072 -30.178 1.00 0.00 H new ATOM 0 HB VAL A 56 42.422 59.960 -28.173 1.00 0.00 H new ATOM 0 HG11 VAL A 56 40.737 58.160 -28.406 1.00 0.00 H new ATOM 0 HG12 VAL A 56 40.080 59.726 -28.938 1.00 0.00 H new ATOM 0 HG13 VAL A 56 40.592 58.520 -30.143 1.00 0.00 H new ATOM 0 HG21 VAL A 56 43.159 57.649 -28.717 1.00 0.00 H new ATOM 0 HG22 VAL A 56 43.022 58.016 -30.453 1.00 0.00 H new ATOM 0 HG23 VAL A 56 44.237 58.855 -29.460 1.00 0.00 H new ATOM 845 N LEU A 57 40.851 60.127 -32.077 1.00 0.00 N ATOM 846 CA LEU A 57 40.516 59.602 -33.395 1.00 0.00 C ATOM 847 C LEU A 57 41.478 60.161 -34.436 1.00 0.00 C ATOM 848 O LEU A 57 42.039 59.422 -35.246 1.00 0.00 O ATOM 849 CB LEU A 57 39.081 59.985 -33.766 1.00 0.00 C ATOM 850 CG LEU A 57 38.201 58.734 -33.760 1.00 0.00 C ATOM 851 CD1 LEU A 57 37.801 58.395 -32.323 1.00 0.00 C ATOM 852 CD2 LEU A 57 36.943 58.992 -34.591 1.00 0.00 C ATOM 0 H LEU A 57 40.069 60.545 -31.573 1.00 0.00 H new ATOM 0 HA LEU A 57 40.601 58.516 -33.371 1.00 0.00 H new ATOM 0 HB2 LEU A 57 38.694 60.718 -33.058 1.00 0.00 H new ATOM 0 HB3 LEU A 57 39.061 60.452 -34.751 1.00 0.00 H new ATOM 0 HG LEU A 57 38.756 57.899 -34.188 1.00 0.00 H new ATOM 0 HD11 LEU A 57 37.174 57.503 -32.321 1.00 0.00 H new ATOM 0 HD12 LEU A 57 38.697 58.210 -31.730 1.00 0.00 H new ATOM 0 HD13 LEU A 57 37.247 59.229 -31.893 1.00 0.00 H new ATOM 0 HD21 LEU A 57 36.315 58.101 -34.587 1.00 0.00 H new ATOM 0 HD22 LEU A 57 36.389 59.828 -34.163 1.00 0.00 H new ATOM 0 HD23 LEU A 57 37.227 59.232 -35.616 1.00 0.00 H new ATOM 864 N LYS A 58 41.666 61.476 -34.396 1.00 0.00 N ATOM 865 CA LYS A 58 42.567 62.147 -35.326 1.00 0.00 C ATOM 866 C LYS A 58 43.993 61.634 -35.154 1.00 0.00 C ATOM 867 O LYS A 58 44.725 61.464 -36.128 1.00 0.00 O ATOM 868 CB LYS A 58 42.538 63.656 -35.074 1.00 0.00 C ATOM 869 CG LYS A 58 41.201 64.232 -35.546 1.00 0.00 C ATOM 870 CD LYS A 58 41.182 64.302 -37.075 1.00 0.00 C ATOM 871 CE LYS A 58 39.976 65.124 -37.533 1.00 0.00 C ATOM 872 NZ LYS A 58 38.721 64.381 -37.227 1.00 0.00 N ATOM 0 H LYS A 58 41.207 62.098 -33.730 1.00 0.00 H new ATOM 0 HA LYS A 58 42.236 61.936 -36.343 1.00 0.00 H new ATOM 0 HB2 LYS A 58 42.678 63.860 -34.012 1.00 0.00 H new ATOM 0 HB3 LYS A 58 43.360 64.139 -35.603 1.00 0.00 H new ATOM 0 HG2 LYS A 58 40.380 63.610 -35.190 1.00 0.00 H new ATOM 0 HG3 LYS A 58 41.053 65.226 -35.125 1.00 0.00 H new ATOM 0 HD2 LYS A 58 42.104 64.754 -37.440 1.00 0.00 H new ATOM 0 HD3 LYS A 58 41.132 63.297 -37.495 1.00 0.00 H new ATOM 0 HE2 LYS A 58 39.970 66.091 -37.030 1.00 0.00 H new ATOM 0 HE3 LYS A 58 40.042 65.321 -38.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 37.912 64.873 -37.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 38.785 63.417 -37.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 38.588 64.333 -36.197 1.00 0.00 H new ATOM 886 N ARG A 59 44.379 61.395 -33.905 1.00 0.00 N ATOM 887 CA ARG A 59 45.721 60.906 -33.605 1.00 0.00 C ATOM 888 C ARG A 59 45.952 59.536 -34.235 1.00 0.00 C ATOM 889 O ARG A 59 47.091 59.149 -34.498 1.00 0.00 O ATOM 890 CB ARG A 59 45.913 60.814 -32.090 1.00 0.00 C ATOM 891 CG ARG A 59 47.408 60.818 -31.762 1.00 0.00 C ATOM 892 CD ARG A 59 47.864 59.395 -31.435 1.00 0.00 C ATOM 893 NE ARG A 59 49.263 59.396 -31.019 1.00 0.00 N ATOM 894 CZ ARG A 59 49.863 58.293 -30.567 1.00 0.00 C ATOM 895 NH1 ARG A 59 49.210 57.162 -30.481 1.00 0.00 N ATOM 896 NH2 ARG A 59 51.117 58.343 -30.208 1.00 0.00 N ATOM 0 H ARG A 59 43.785 61.531 -33.087 1.00 0.00 H new ATOM 0 HA ARG A 59 46.444 61.607 -34.023 1.00 0.00 H new ATOM 0 HB2 ARG A 59 45.420 61.653 -31.599 1.00 0.00 H new ATOM 0 HB3 ARG A 59 45.449 59.904 -31.709 1.00 0.00 H new ATOM 0 HG2 ARG A 59 47.975 61.208 -32.607 1.00 0.00 H new ATOM 0 HG3 ARG A 59 47.604 61.477 -30.916 1.00 0.00 H new ATOM 0 HD2 ARG A 59 47.242 58.979 -30.642 1.00 0.00 H new ATOM 0 HD3 ARG A 59 47.737 58.755 -32.308 1.00 0.00 H new ATOM 0 HE ARG A 59 49.797 60.263 -31.075 1.00 0.00 H new ATOM 0 HH11 ARG A 59 48.230 57.116 -30.761 1.00 0.00 H new ATOM 0 HH12 ARG A 59 49.681 56.326 -30.134 1.00 0.00 H new ATOM 0 HH21 ARG A 59 51.632 59.221 -30.274 1.00 0.00 H new ATOM 0 HH22 ARG A 59 51.582 57.504 -29.862 1.00 0.00 H new ATOM 910 N GLU A 60 44.868 58.805 -34.472 1.00 0.00 N ATOM 911 CA GLU A 60 44.970 57.478 -35.070 1.00 0.00 C ATOM 912 C GLU A 60 44.223 57.432 -36.399 1.00 0.00 C ATOM 913 O GLU A 60 43.141 56.854 -36.493 1.00 0.00 O ATOM 914 CB GLU A 60 44.383 56.432 -34.119 1.00 0.00 C ATOM 915 CG GLU A 60 45.183 56.421 -32.816 1.00 0.00 C ATOM 916 CD GLU A 60 46.625 56.013 -33.095 1.00 0.00 C ATOM 917 OE1 GLU A 60 46.835 55.249 -34.024 1.00 0.00 O ATOM 918 OE2 GLU A 60 47.498 56.469 -32.378 1.00 0.00 O ATOM 0 H GLU A 60 43.916 59.105 -34.261 1.00 0.00 H new ATOM 0 HA GLU A 60 46.023 57.259 -35.248 1.00 0.00 H new ATOM 0 HB2 GLU A 60 43.337 56.658 -33.914 1.00 0.00 H new ATOM 0 HB3 GLU A 60 44.411 55.446 -34.584 1.00 0.00 H new ATOM 0 HG2 GLU A 60 45.158 57.409 -32.356 1.00 0.00 H new ATOM 0 HG3 GLU A 60 44.730 55.727 -32.107 1.00 0.00 H new ATOM 925 N PRO A 61 44.780 58.027 -37.419 1.00 0.00 N ATOM 926 CA PRO A 61 44.156 58.058 -38.775 1.00 0.00 C ATOM 927 C PRO A 61 44.116 56.678 -39.432 1.00 0.00 C ATOM 928 O PRO A 61 43.465 56.491 -40.459 1.00 0.00 O ATOM 929 CB PRO A 61 45.047 59.017 -39.569 1.00 0.00 C ATOM 930 CG PRO A 61 46.363 59.017 -38.864 1.00 0.00 C ATOM 931 CD PRO A 61 46.068 58.737 -37.391 1.00 0.00 C ATOM 0 HA PRO A 61 43.114 58.376 -38.732 1.00 0.00 H new ATOM 0 HB2 PRO A 61 45.156 58.687 -40.602 1.00 0.00 H new ATOM 0 HB3 PRO A 61 44.617 60.018 -39.598 1.00 0.00 H new ATOM 0 HG2 PRO A 61 47.025 58.256 -39.278 1.00 0.00 H new ATOM 0 HG3 PRO A 61 46.866 59.976 -38.983 1.00 0.00 H new ATOM 0 HD2 PRO A 61 46.850 58.129 -36.935 1.00 0.00 H new ATOM 0 HD3 PRO A 61 46.004 59.659 -36.814 1.00 0.00 H new ATOM 939 N LEU A 62 44.817 55.716 -38.837 1.00 0.00 N ATOM 940 CA LEU A 62 44.852 54.363 -39.379 1.00 0.00 C ATOM 941 C LEU A 62 43.440 53.804 -39.517 1.00 0.00 C ATOM 942 O LEU A 62 43.128 53.111 -40.486 1.00 0.00 O ATOM 943 CB LEU A 62 45.673 53.456 -38.461 1.00 0.00 C ATOM 944 CG LEU A 62 45.956 52.132 -39.172 1.00 0.00 C ATOM 945 CD1 LEU A 62 47.388 51.686 -38.871 1.00 0.00 C ATOM 946 CD2 LEU A 62 44.977 51.067 -38.675 1.00 0.00 C ATOM 0 H LEU A 62 45.364 55.848 -37.986 1.00 0.00 H new ATOM 0 HA LEU A 62 45.314 54.398 -40.365 1.00 0.00 H new ATOM 0 HB2 LEU A 62 46.610 53.944 -38.193 1.00 0.00 H new ATOM 0 HB3 LEU A 62 45.131 53.274 -37.533 1.00 0.00 H new ATOM 0 HG LEU A 62 45.835 52.265 -40.247 1.00 0.00 H new ATOM 0 HD11 LEU A 62 47.589 50.742 -39.378 1.00 0.00 H new ATOM 0 HD12 LEU A 62 48.087 52.444 -39.224 1.00 0.00 H new ATOM 0 HD13 LEU A 62 47.509 51.553 -37.796 1.00 0.00 H new ATOM 0 HD21 LEU A 62 45.178 50.123 -39.182 1.00 0.00 H new ATOM 0 HD22 LEU A 62 45.098 50.935 -37.600 1.00 0.00 H new ATOM 0 HD23 LEU A 62 43.956 51.383 -38.889 1.00 0.00 H new ATOM 958 N ASN A 63 42.592 54.109 -38.541 1.00 0.00 N ATOM 959 CA ASN A 63 41.214 53.632 -38.561 1.00 0.00 C ATOM 960 C ASN A 63 40.380 54.428 -39.562 1.00 0.00 C ATOM 961 O ASN A 63 39.354 53.951 -40.046 1.00 0.00 O ATOM 962 CB ASN A 63 40.600 53.757 -37.164 1.00 0.00 C ATOM 963 CG ASN A 63 40.163 55.195 -36.903 1.00 0.00 C ATOM 964 OD1 ASN A 63 40.865 56.136 -37.271 1.00 0.00 O ATOM 965 ND2 ASN A 63 39.038 55.422 -36.282 1.00 0.00 N ATOM 0 H ASN A 63 42.832 54.681 -37.731 1.00 0.00 H new ATOM 0 HA ASN A 63 41.217 52.585 -38.865 1.00 0.00 H new ATOM 0 HB2 ASN A 63 39.744 53.088 -37.075 1.00 0.00 H new ATOM 0 HB3 ASN A 63 41.326 53.448 -36.412 1.00 0.00 H new ATOM 0 HD21 ASN A 63 38.740 56.380 -36.101 1.00 0.00 H new ATOM 0 HD22 ASN A 63 38.457 54.641 -35.977 1.00 0.00 H new ATOM 972 N TYR A 64 40.825 55.644 -39.865 1.00 0.00 N ATOM 973 CA TYR A 64 40.108 56.497 -40.806 1.00 0.00 C ATOM 974 C TYR A 64 40.321 56.021 -42.239 1.00 0.00 C ATOM 975 O TYR A 64 39.414 56.095 -43.068 1.00 0.00 O ATOM 976 CB TYR A 64 40.586 57.944 -40.670 1.00 0.00 C ATOM 977 CG TYR A 64 39.709 58.845 -41.506 1.00 0.00 C ATOM 978 CD1 TYR A 64 38.463 59.257 -41.018 1.00 0.00 C ATOM 979 CD2 TYR A 64 40.142 59.268 -42.768 1.00 0.00 C ATOM 980 CE1 TYR A 64 37.649 60.092 -41.793 1.00 0.00 C ATOM 981 CE2 TYR A 64 39.328 60.103 -43.543 1.00 0.00 C ATOM 982 CZ TYR A 64 38.082 60.515 -43.056 1.00 0.00 C ATOM 983 OH TYR A 64 37.280 61.338 -43.820 1.00 0.00 O ATOM 0 H TYR A 64 41.672 56.058 -39.476 1.00 0.00 H new ATOM 0 HA TYR A 64 39.044 56.442 -40.574 1.00 0.00 H new ATOM 0 HB2 TYR A 64 40.552 58.253 -39.625 1.00 0.00 H new ATOM 0 HB3 TYR A 64 41.624 58.027 -40.993 1.00 0.00 H new ATOM 0 HD1 TYR A 64 38.130 58.931 -40.044 1.00 0.00 H new ATOM 0 HD2 TYR A 64 41.103 58.950 -43.144 1.00 0.00 H new ATOM 0 HE1 TYR A 64 36.688 60.410 -41.417 1.00 0.00 H new ATOM 0 HE2 TYR A 64 39.662 60.429 -44.517 1.00 0.00 H new ATOM 0 HH TYR A 64 37.730 61.538 -44.667 1.00 0.00 H new ATOM 993 N LEU A 65 41.524 55.534 -42.526 1.00 0.00 N ATOM 994 CA LEU A 65 41.841 55.052 -43.865 1.00 0.00 C ATOM 995 C LEU A 65 41.102 53.744 -44.150 1.00 0.00 C ATOM 996 O LEU A 65 40.684 53.049 -43.224 1.00 0.00 O ATOM 997 CB LEU A 65 43.351 54.828 -43.991 1.00 0.00 C ATOM 998 CG LEU A 65 44.082 56.164 -43.843 1.00 0.00 C ATOM 999 CD1 LEU A 65 45.587 55.911 -43.732 1.00 0.00 C ATOM 1000 CD2 LEU A 65 43.802 57.041 -45.068 1.00 0.00 C ATOM 0 H LEU A 65 42.289 55.463 -41.855 1.00 0.00 H new ATOM 0 HA LEU A 65 41.523 55.801 -44.590 1.00 0.00 H new ATOM 0 HB2 LEU A 65 43.690 54.130 -43.226 1.00 0.00 H new ATOM 0 HB3 LEU A 65 43.583 54.380 -44.957 1.00 0.00 H new ATOM 0 HG LEU A 65 43.730 56.672 -42.945 1.00 0.00 H new ATOM 0 HD11 LEU A 65 46.109 56.862 -43.627 1.00 0.00 H new ATOM 0 HD12 LEU A 65 45.788 55.288 -42.860 1.00 0.00 H new ATOM 0 HD13 LEU A 65 45.938 55.402 -44.630 1.00 0.00 H new ATOM 0 HD21 LEU A 65 44.323 57.992 -44.961 1.00 0.00 H new ATOM 0 HD22 LEU A 65 44.153 56.534 -45.967 1.00 0.00 H new ATOM 0 HD23 LEU A 65 42.730 57.222 -45.149 1.00 0.00 H new ATOM 1012 N PRO A 66 40.931 53.395 -45.403 1.00 0.00 N ATOM 1013 CA PRO A 66 40.223 52.139 -45.794 1.00 0.00 C ATOM 1014 C PRO A 66 40.813 50.911 -45.105 1.00 0.00 C ATOM 1015 O PRO A 66 42.029 50.795 -44.957 1.00 0.00 O ATOM 1016 CB PRO A 66 40.421 52.059 -47.310 1.00 0.00 C ATOM 1017 CG PRO A 66 40.692 53.458 -47.751 1.00 0.00 C ATOM 1018 CD PRO A 66 41.388 54.152 -46.582 1.00 0.00 C ATOM 0 HA PRO A 66 39.174 52.156 -45.500 1.00 0.00 H new ATOM 0 HB2 PRO A 66 41.251 51.400 -47.563 1.00 0.00 H new ATOM 0 HB3 PRO A 66 39.534 51.658 -47.801 1.00 0.00 H new ATOM 0 HG2 PRO A 66 41.322 53.470 -48.640 1.00 0.00 H new ATOM 0 HG3 PRO A 66 39.765 53.970 -48.010 1.00 0.00 H new ATOM 0 HD2 PRO A 66 42.473 54.117 -46.684 1.00 0.00 H new ATOM 0 HD3 PRO A 66 41.108 55.203 -46.516 1.00 0.00 H new