USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=17 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 Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS :FLIP no HD1:sc= -0.0905 F(o=-0.71,f=-0.091) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 139:sc= -0.0287 (180deg=-0.822) USER MOD Single : A 13 CYS SG : rot 180:sc= -1.74! USER MOD Single : A 14 ASN : amide:sc= -0.993 K(o=-0.99,f=-4.1!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 25 ASN : amide:sc= -0.0665 K(o=-0.067,f=-1.6!) USER MOD Single : A 29 HIS : no HD1:sc=-0.00974 X(o=-0.0097,f=-0.0097) USER MOD Single : A 30 SER OG : rot -32:sc= 1.09 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.0875 K(o=0.087,f=-4.6!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 75:sc= 0.376 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.879 K(o=-0.88,f=-6.2!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0.445 K(o=0.44,f=-4.3!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00115 USER MOD Single : A 48 TYR OH : rot 180:sc=-0.00866 USER MOD Single : A 50 LYS NZ :NH3+ -154:sc= -0.125 (180deg=-0.981) USER MOD Single : A 52 ASN : amide:sc= -0.0618 X(o=-0.062,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0761) USER MOD Single : A 63 ASN :FLIP amide:sc= 0.496 F(o=-0.83,f=0.5) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N ILE A 3 -0.220 -0.061 2.569 1.00 0.00 N ATOM 32 CA ILE A 3 0.410 1.195 2.177 1.00 0.00 C ATOM 33 C ILE A 3 1.923 1.029 2.079 1.00 0.00 C ATOM 34 O ILE A 3 2.542 0.378 2.921 1.00 0.00 O ATOM 35 CB ILE A 3 0.081 2.285 3.199 1.00 0.00 C ATOM 36 CG1 ILE A 3 0.537 3.644 2.661 1.00 0.00 C ATOM 37 CG2 ILE A 3 0.807 1.989 4.513 1.00 0.00 C ATOM 38 CD1 ILE A 3 -0.464 4.143 1.617 1.00 0.00 C ATOM 0 HA ILE A 3 0.023 1.483 1.200 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.995 2.305 3.374 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.615 4.362 3.477 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.529 3.557 2.217 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.573 2.766 5.241 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.484 1.022 4.897 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.883 1.969 4.338 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.139 5.110 1.234 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.520 3.428 0.796 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.447 4.246 2.076 1.00 0.00 H new ATOM 50 N GLU A 4 2.513 1.622 1.046 1.00 0.00 N ATOM 51 CA GLU A 4 3.955 1.534 0.847 1.00 0.00 C ATOM 52 C GLU A 4 4.698 1.936 2.116 1.00 0.00 C ATOM 53 O GLU A 4 4.142 2.608 2.986 1.00 0.00 O ATOM 54 CB GLU A 4 4.379 2.446 -0.306 1.00 0.00 C ATOM 55 CG GLU A 4 4.091 3.902 0.064 1.00 0.00 C ATOM 56 CD GLU A 4 4.441 4.815 -1.106 1.00 0.00 C ATOM 57 OE1 GLU A 4 3.813 4.683 -2.144 1.00 0.00 O ATOM 58 OE2 GLU A 4 5.332 5.634 -0.947 1.00 0.00 O ATOM 0 H GLU A 4 2.019 2.165 0.338 1.00 0.00 H new ATOM 0 HA GLU A 4 4.207 0.501 0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.441 2.316 -0.515 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.840 2.177 -1.214 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.039 4.018 0.325 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.671 4.184 0.943 1.00 0.00 H new ATOM 65 N SER A 5 5.956 1.519 2.216 1.00 0.00 N ATOM 66 CA SER A 5 6.767 1.841 3.385 1.00 0.00 C ATOM 67 C SER A 5 7.155 3.316 3.383 1.00 0.00 C ATOM 68 O SER A 5 7.087 3.985 2.352 1.00 0.00 O ATOM 69 CB SER A 5 8.030 0.980 3.395 1.00 0.00 C ATOM 70 OG SER A 5 8.824 1.299 2.260 1.00 0.00 O ATOM 0 H SER A 5 6.433 0.962 1.508 1.00 0.00 H new ATOM 0 HA SER A 5 6.178 1.635 4.279 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.596 1.155 4.310 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.764 -0.077 3.382 1.00 0.00 H new ATOM 0 HG SER A 5 9.636 0.750 2.264 1.00 0.00 H new ATOM 76 N HIS A 6 7.565 3.815 4.545 1.00 0.00 N ATOM 77 CA HIS A 6 7.964 5.212 4.669 1.00 0.00 C ATOM 78 C HIS A 6 9.214 5.501 3.837 1.00 0.00 C ATOM 79 O HIS A 6 9.479 6.649 3.483 1.00 0.00 O ATOM 80 CB HIS A 6 8.236 5.546 6.138 1.00 0.00 C ATOM 81 CG HIS A 6 9.536 4.922 6.565 1.00 0.00 C ATOM 82 ND1 HIS A 6 10.019 3.641 6.456 1.00 0.00 N flip ATOM 83 CD2 HIS A 6 10.531 5.649 7.200 1.00 0.00 C flip ATOM 84 CE1 HIS A 6 11.292 3.571 7.014 1.00 0.00 C flip ATOM 85 NE2 HIS A 6 11.552 4.808 7.447 1.00 0.00 N flip ATOM 0 H HIS A 6 7.629 3.277 5.409 1.00 0.00 H new ATOM 0 HA HIS A 6 7.150 5.834 4.296 1.00 0.00 H new ATOM 0 HB2 HIS A 6 8.278 6.627 6.274 1.00 0.00 H new ATOM 0 HB3 HIS A 6 7.422 5.177 6.762 1.00 0.00 H new ATOM 0 HD2 HIS A 6 10.494 6.699 7.451 1.00 0.00 H new ATOM 0 HE1 HIS A 6 11.932 2.704 7.082 1.00 0.00 H new ATOM 0 HE2 HIS A 6 12.419 5.082 7.909 1.00 0.00 H new ATOM 94 N GLN A 7 9.978 4.455 3.526 1.00 0.00 N ATOM 95 CA GLN A 7 11.193 4.618 2.736 1.00 0.00 C ATOM 96 C GLN A 7 10.853 4.980 1.293 1.00 0.00 C ATOM 97 O GLN A 7 10.021 4.332 0.659 1.00 0.00 O ATOM 98 CB GLN A 7 12.007 3.322 2.760 1.00 0.00 C ATOM 99 CG GLN A 7 13.311 3.523 1.986 1.00 0.00 C ATOM 100 CD GLN A 7 14.133 2.238 2.006 1.00 0.00 C ATOM 101 OE1 GLN A 7 13.719 1.226 1.440 1.00 0.00 O ATOM 102 NE2 GLN A 7 15.279 2.218 2.629 1.00 0.00 N ATOM 0 H GLN A 7 9.778 3.495 3.807 1.00 0.00 H new ATOM 0 HA GLN A 7 11.780 5.426 3.171 1.00 0.00 H new ATOM 0 HB2 GLN A 7 12.223 3.035 3.789 1.00 0.00 H new ATOM 0 HB3 GLN A 7 11.430 2.510 2.317 1.00 0.00 H new ATOM 0 HG2 GLN A 7 13.092 3.809 0.957 1.00 0.00 H new ATOM 0 HG3 GLN A 7 13.884 4.338 2.428 1.00 0.00 H new ATOM 0 HE21 GLN A 7 15.620 3.058 3.097 1.00 0.00 H new ATOM 0 HE22 GLN A 7 15.834 1.363 2.648 1.00 0.00 H new ATOM 111 N VAL A 8 11.504 6.020 0.781 1.00 0.00 N ATOM 112 CA VAL A 8 11.264 6.462 -0.589 1.00 0.00 C ATOM 113 C VAL A 8 12.583 6.647 -1.333 1.00 0.00 C ATOM 114 O VAL A 8 13.575 7.091 -0.754 1.00 0.00 O ATOM 115 CB VAL A 8 10.491 7.781 -0.585 1.00 0.00 C ATOM 116 CG1 VAL A 8 11.304 8.848 0.150 1.00 0.00 C ATOM 117 CG2 VAL A 8 10.248 8.233 -2.027 1.00 0.00 C ATOM 0 H VAL A 8 12.197 6.569 1.290 1.00 0.00 H new ATOM 0 HA VAL A 8 10.677 5.698 -1.098 1.00 0.00 H new ATOM 0 HB VAL A 8 9.535 7.639 -0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.752 9.788 0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.480 8.528 1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 8 12.260 8.989 -0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.697 9.173 -2.026 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.205 8.374 -2.530 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.669 7.474 -2.554 1.00 0.00 H new ATOM 127 N GLU A 9 12.588 6.304 -2.617 1.00 0.00 N ATOM 128 CA GLU A 9 13.792 6.439 -3.429 1.00 0.00 C ATOM 129 C GLU A 9 13.478 7.158 -4.739 1.00 0.00 C ATOM 130 O GLU A 9 13.647 6.601 -5.823 1.00 0.00 O ATOM 131 CB GLU A 9 14.392 5.059 -3.727 1.00 0.00 C ATOM 132 CG GLU A 9 13.277 4.013 -3.833 1.00 0.00 C ATOM 133 CD GLU A 9 12.239 4.451 -4.862 1.00 0.00 C ATOM 134 OE1 GLU A 9 12.529 4.358 -6.043 1.00 0.00 O ATOM 135 OE2 GLU A 9 11.168 4.869 -4.453 1.00 0.00 O ATOM 0 H GLU A 9 11.779 5.933 -3.115 1.00 0.00 H new ATOM 0 HA GLU A 9 14.517 7.029 -2.868 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.959 5.093 -4.657 1.00 0.00 H new ATOM 0 HB3 GLU A 9 15.090 4.779 -2.938 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.699 3.049 -4.119 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.802 3.878 -2.861 1.00 0.00 H new ATOM 142 N LYS A 10 13.019 8.400 -4.629 1.00 0.00 N ATOM 143 CA LYS A 10 12.684 9.188 -5.809 1.00 0.00 C ATOM 144 C LYS A 10 13.921 9.416 -6.671 1.00 0.00 C ATOM 145 O LYS A 10 15.047 9.181 -6.233 1.00 0.00 O ATOM 146 CB LYS A 10 12.097 10.536 -5.386 1.00 0.00 C ATOM 147 CG LYS A 10 13.152 11.340 -4.623 1.00 0.00 C ATOM 148 CD LYS A 10 12.553 12.676 -4.179 1.00 0.00 C ATOM 149 CE LYS A 10 13.605 13.481 -3.414 1.00 0.00 C ATOM 150 NZ LYS A 10 13.023 14.787 -2.994 1.00 0.00 N ATOM 0 H LYS A 10 12.871 8.880 -3.741 1.00 0.00 H new ATOM 0 HA LYS A 10 11.946 8.638 -6.393 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.767 11.092 -6.264 1.00 0.00 H new ATOM 0 HB3 LYS A 10 11.220 10.381 -4.758 1.00 0.00 H new ATOM 0 HG2 LYS A 10 13.496 10.777 -3.755 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.022 11.512 -5.257 1.00 0.00 H new ATOM 0 HD2 LYS A 10 12.210 13.239 -5.047 1.00 0.00 H new ATOM 0 HD3 LYS A 10 11.682 12.503 -3.547 1.00 0.00 H new ATOM 0 HE2 LYS A 10 13.941 12.923 -2.540 1.00 0.00 H new ATOM 0 HE3 LYS A 10 14.480 13.646 -4.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 13.738 15.335 -2.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 12.723 15.320 -3.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 12.201 14.619 -2.379 1.00 0.00 H new ATOM 164 N ARG A 11 13.705 9.879 -7.898 1.00 0.00 N ATOM 165 CA ARG A 11 14.811 10.138 -8.810 1.00 0.00 C ATOM 166 C ARG A 11 14.507 11.349 -9.687 1.00 0.00 C ATOM 167 O ARG A 11 14.405 11.239 -10.907 1.00 0.00 O ATOM 168 CB ARG A 11 15.112 8.908 -9.696 1.00 0.00 C ATOM 169 CG ARG A 11 13.848 8.069 -9.972 1.00 0.00 C ATOM 170 CD ARG A 11 12.963 8.773 -11.004 1.00 0.00 C ATOM 171 NE ARG A 11 12.092 9.747 -10.353 1.00 0.00 N ATOM 172 CZ ARG A 11 10.975 9.378 -9.721 1.00 0.00 C ATOM 173 NH1 ARG A 11 10.622 8.119 -9.660 1.00 0.00 N ATOM 174 NH2 ARG A 11 10.226 10.286 -9.156 1.00 0.00 N ATOM 0 H ARG A 11 12.781 10.081 -8.281 1.00 0.00 H new ATOM 0 HA ARG A 11 15.694 10.346 -8.206 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.540 9.239 -10.642 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.861 8.285 -9.208 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.130 7.082 -10.337 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.292 7.920 -9.046 1.00 0.00 H new ATOM 0 HD2 ARG A 11 13.586 9.273 -11.746 1.00 0.00 H new ATOM 0 HD3 ARG A 11 12.361 8.037 -11.537 1.00 0.00 H new ATOM 0 HE ARG A 11 12.343 10.735 -10.382 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.203 7.405 -10.099 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.766 7.852 -9.174 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.496 11.269 -9.199 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.371 10.013 -8.671 1.00 0.00 H new ATOM 188 N LYS A 12 14.366 12.509 -9.053 1.00 0.00 N ATOM 189 CA LYS A 12 14.076 13.735 -9.786 1.00 0.00 C ATOM 190 C LYS A 12 15.159 14.002 -10.824 1.00 0.00 C ATOM 191 O LYS A 12 16.317 13.625 -10.639 1.00 0.00 O ATOM 192 CB LYS A 12 13.983 14.917 -8.818 1.00 0.00 C ATOM 193 CG LYS A 12 15.340 15.142 -8.149 1.00 0.00 C ATOM 194 CD LYS A 12 15.231 16.302 -7.158 1.00 0.00 C ATOM 195 CE LYS A 12 16.569 16.494 -6.441 1.00 0.00 C ATOM 196 NZ LYS A 12 17.618 16.864 -7.433 1.00 0.00 N ATOM 0 H LYS A 12 14.447 12.625 -8.043 1.00 0.00 H new ATOM 0 HA LYS A 12 13.121 13.615 -10.297 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.677 15.816 -9.354 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.222 14.722 -8.063 1.00 0.00 H new ATOM 0 HG2 LYS A 12 15.658 14.236 -7.632 1.00 0.00 H new ATOM 0 HG3 LYS A 12 16.097 15.362 -8.902 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.954 17.216 -7.682 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.444 16.100 -6.432 1.00 0.00 H new ATOM 0 HE2 LYS A 12 16.479 17.273 -5.684 1.00 0.00 H new ATOM 0 HE3 LYS A 12 16.851 15.577 -5.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 18.228 17.606 -7.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 18.193 16.027 -7.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 17.166 17.217 -8.301 1.00 0.00 H new ATOM 210 N CYS A 13 14.776 14.649 -11.918 1.00 0.00 N ATOM 211 CA CYS A 13 15.726 14.955 -12.979 1.00 0.00 C ATOM 212 C CYS A 13 16.781 15.938 -12.482 1.00 0.00 C ATOM 213 O CYS A 13 16.493 17.116 -12.269 1.00 0.00 O ATOM 214 CB CYS A 13 14.997 15.553 -14.182 1.00 0.00 C ATOM 215 SG CYS A 13 16.137 15.652 -15.584 1.00 0.00 S ATOM 0 H CYS A 13 13.823 14.969 -12.093 1.00 0.00 H new ATOM 0 HA CYS A 13 16.217 14.029 -13.279 1.00 0.00 H new ATOM 0 HB2 CYS A 13 14.135 14.938 -14.442 1.00 0.00 H new ATOM 0 HB3 CYS A 13 14.618 16.545 -13.936 1.00 0.00 H new ATOM 0 HG CYS A 13 15.520 16.158 -16.610 1.00 0.00 H new ATOM 220 N ASN A 14 18.001 15.446 -12.297 1.00 0.00 N ATOM 221 CA ASN A 14 19.090 16.293 -11.822 1.00 0.00 C ATOM 222 C ASN A 14 20.241 16.322 -12.825 1.00 0.00 C ATOM 223 O ASN A 14 21.343 16.764 -12.500 1.00 0.00 O ATOM 224 CB ASN A 14 19.601 15.778 -10.476 1.00 0.00 C ATOM 225 CG ASN A 14 20.034 14.322 -10.606 1.00 0.00 C ATOM 226 OD1 ASN A 14 20.792 13.977 -11.513 1.00 0.00 O ATOM 227 ND2 ASN A 14 19.595 13.441 -9.749 1.00 0.00 N ATOM 0 H ASN A 14 18.260 14.474 -12.467 1.00 0.00 H new ATOM 0 HA ASN A 14 18.705 17.306 -11.707 1.00 0.00 H new ATOM 0 HB2 ASN A 14 20.440 16.387 -10.139 1.00 0.00 H new ATOM 0 HB3 ASN A 14 18.819 15.868 -9.722 1.00 0.00 H new ATOM 0 HD21 ASN A 14 19.880 12.465 -9.830 1.00 0.00 H new ATOM 0 HD22 ASN A 14 18.967 13.729 -8.998 1.00 0.00 H new ATOM 234 N THR A 15 19.986 15.852 -14.044 1.00 0.00 N ATOM 235 CA THR A 15 21.019 15.837 -15.072 1.00 0.00 C ATOM 236 C THR A 15 21.135 17.203 -15.738 1.00 0.00 C ATOM 237 O THR A 15 20.313 18.091 -15.508 1.00 0.00 O ATOM 238 CB THR A 15 20.696 14.775 -16.128 1.00 0.00 C ATOM 239 OG1 THR A 15 21.662 14.837 -17.168 1.00 0.00 O ATOM 240 CG2 THR A 15 19.303 15.025 -16.710 1.00 0.00 C ATOM 0 H THR A 15 19.083 15.481 -14.340 1.00 0.00 H new ATOM 0 HA THR A 15 21.970 15.596 -14.597 1.00 0.00 H new ATOM 0 HB THR A 15 20.717 13.789 -15.664 1.00 0.00 H new ATOM 0 HG1 THR A 15 21.459 14.157 -17.844 1.00 0.00 H new ATOM 0 HG21 THR A 15 19.080 14.266 -17.460 1.00 0.00 H new ATOM 0 HG22 THR A 15 18.561 14.976 -15.913 1.00 0.00 H new ATOM 0 HG23 THR A 15 19.274 16.012 -17.172 1.00 0.00 H new ATOM 306 N GLN A 21 17.160 23.030 -19.779 1.00 0.00 N ATOM 307 CA GLN A 21 15.765 23.380 -20.022 1.00 0.00 C ATOM 308 C GLN A 21 15.416 24.707 -19.352 1.00 0.00 C ATOM 309 O GLN A 21 14.567 25.452 -19.842 1.00 0.00 O ATOM 310 CB GLN A 21 14.844 22.262 -19.512 1.00 0.00 C ATOM 311 CG GLN A 21 14.148 22.686 -18.214 1.00 0.00 C ATOM 312 CD GLN A 21 13.407 21.497 -17.612 1.00 0.00 C ATOM 313 OE1 GLN A 21 13.386 20.415 -18.199 1.00 0.00 O ATOM 314 NE2 GLN A 21 12.795 21.632 -16.467 1.00 0.00 N ATOM 0 HA GLN A 21 15.618 23.493 -21.096 1.00 0.00 H new ATOM 0 HB2 GLN A 21 14.098 22.024 -20.270 1.00 0.00 H new ATOM 0 HB3 GLN A 21 15.424 21.355 -19.340 1.00 0.00 H new ATOM 0 HG2 GLN A 21 14.883 23.065 -17.504 1.00 0.00 H new ATOM 0 HG3 GLN A 21 13.449 23.498 -18.414 1.00 0.00 H new ATOM 0 HE21 GLN A 21 12.813 22.529 -15.982 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.299 20.841 -16.058 1.00 0.00 H new ATOM 323 N ARG A 22 16.074 25.003 -18.234 1.00 0.00 N ATOM 324 CA ARG A 22 15.811 26.251 -17.524 1.00 0.00 C ATOM 325 C ARG A 22 16.581 27.406 -18.163 1.00 0.00 C ATOM 326 O ARG A 22 16.207 28.570 -18.016 1.00 0.00 O ATOM 327 CB ARG A 22 16.169 26.109 -16.034 1.00 0.00 C ATOM 328 CG ARG A 22 17.634 26.490 -15.776 1.00 0.00 C ATOM 329 CD ARG A 22 17.723 27.972 -15.406 1.00 0.00 C ATOM 330 NE ARG A 22 18.114 28.119 -14.007 1.00 0.00 N ATOM 331 CZ ARG A 22 19.381 27.977 -13.613 1.00 0.00 C ATOM 332 NH1 ARG A 22 20.325 27.700 -14.477 1.00 0.00 N ATOM 333 NH2 ARG A 22 19.684 28.116 -12.351 1.00 0.00 N ATOM 0 H ARG A 22 16.782 24.407 -17.806 1.00 0.00 H new ATOM 0 HA ARG A 22 14.746 26.473 -17.598 1.00 0.00 H new ATOM 0 HB2 ARG A 22 15.515 26.745 -15.438 1.00 0.00 H new ATOM 0 HB3 ARG A 22 15.995 25.082 -15.712 1.00 0.00 H new ATOM 0 HG2 ARG A 22 18.043 25.879 -14.971 1.00 0.00 H new ATOM 0 HG3 ARG A 22 18.234 26.290 -16.664 1.00 0.00 H new ATOM 0 HD2 ARG A 22 18.448 28.472 -16.048 1.00 0.00 H new ATOM 0 HD3 ARG A 22 16.761 28.455 -15.575 1.00 0.00 H new ATOM 0 HE ARG A 22 17.400 28.336 -13.312 1.00 0.00 H new ATOM 0 HH11 ARG A 22 20.096 27.590 -15.465 1.00 0.00 H new ATOM 0 HH12 ARG A 22 21.289 27.594 -14.162 1.00 0.00 H new ATOM 0 HH21 ARG A 22 18.954 28.332 -11.672 1.00 0.00 H new ATOM 0 HH22 ARG A 22 20.651 28.009 -12.044 1.00 0.00 H new ATOM 347 N LEU A 23 17.655 27.078 -18.878 1.00 0.00 N ATOM 348 CA LEU A 23 18.460 28.099 -19.538 1.00 0.00 C ATOM 349 C LEU A 23 17.627 28.822 -20.591 1.00 0.00 C ATOM 350 O LEU A 23 17.621 30.051 -20.657 1.00 0.00 O ATOM 351 CB LEU A 23 19.686 27.457 -20.196 1.00 0.00 C ATOM 352 CG LEU A 23 20.550 28.536 -20.858 1.00 0.00 C ATOM 353 CD1 LEU A 23 21.121 29.468 -19.786 1.00 0.00 C ATOM 354 CD2 LEU A 23 21.700 27.868 -21.617 1.00 0.00 C ATOM 0 H LEU A 23 17.984 26.122 -19.014 1.00 0.00 H new ATOM 0 HA LEU A 23 18.794 28.820 -18.792 1.00 0.00 H new ATOM 0 HB2 LEU A 23 20.270 26.919 -19.449 1.00 0.00 H new ATOM 0 HB3 LEU A 23 19.369 26.726 -20.940 1.00 0.00 H new ATOM 0 HG LEU A 23 19.940 29.115 -21.551 1.00 0.00 H new ATOM 0 HD11 LEU A 23 21.735 30.234 -20.259 1.00 0.00 H new ATOM 0 HD12 LEU A 23 20.303 29.942 -19.243 1.00 0.00 H new ATOM 0 HD13 LEU A 23 21.732 28.892 -19.091 1.00 0.00 H new ATOM 0 HD21 LEU A 23 22.317 28.633 -22.089 1.00 0.00 H new ATOM 0 HD22 LEU A 23 22.308 27.290 -20.921 1.00 0.00 H new ATOM 0 HD23 LEU A 23 21.295 27.205 -22.382 1.00 0.00 H new ATOM 366 N ALA A 24 16.919 28.048 -21.408 1.00 0.00 N ATOM 367 CA ALA A 24 16.076 28.621 -22.450 1.00 0.00 C ATOM 368 C ALA A 24 14.974 29.472 -21.828 1.00 0.00 C ATOM 369 O ALA A 24 14.627 30.534 -22.345 1.00 0.00 O ATOM 370 CB ALA A 24 15.451 27.507 -23.291 1.00 0.00 C ATOM 0 H ALA A 24 16.912 27.029 -21.369 1.00 0.00 H new ATOM 0 HA ALA A 24 16.694 29.251 -23.090 1.00 0.00 H new ATOM 0 HB1 ALA A 24 14.823 27.945 -24.067 1.00 0.00 H new ATOM 0 HB2 ALA A 24 16.240 26.915 -23.755 1.00 0.00 H new ATOM 0 HB3 ALA A 24 14.844 26.866 -22.652 1.00 0.00 H new ATOM 376 N ASN A 25 14.430 28.997 -20.712 1.00 0.00 N ATOM 377 CA ASN A 25 13.371 29.722 -20.019 1.00 0.00 C ATOM 378 C ASN A 25 13.923 30.989 -19.375 1.00 0.00 C ATOM 379 O ASN A 25 13.211 31.981 -19.225 1.00 0.00 O ATOM 380 CB ASN A 25 12.748 28.830 -18.942 1.00 0.00 C ATOM 381 CG ASN A 25 11.425 29.424 -18.473 1.00 0.00 C ATOM 382 OD1 ASN A 25 10.719 30.064 -19.252 1.00 0.00 O ATOM 383 ND2 ASN A 25 11.045 29.251 -17.237 1.00 0.00 N ATOM 0 H ASN A 25 14.703 28.119 -20.270 1.00 0.00 H new ATOM 0 HA ASN A 25 12.609 30.000 -20.747 1.00 0.00 H new ATOM 0 HB2 ASN A 25 12.586 27.827 -19.338 1.00 0.00 H new ATOM 0 HB3 ASN A 25 13.432 28.733 -18.099 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.162 29.646 -16.915 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.631 28.720 -16.593 1.00 0.00 H new ATOM 390 N PHE A 26 15.196 30.946 -18.993 1.00 0.00 N ATOM 391 CA PHE A 26 15.838 32.095 -18.363 1.00 0.00 C ATOM 392 C PHE A 26 15.962 33.259 -19.345 1.00 0.00 C ATOM 393 O PHE A 26 15.839 34.421 -18.960 1.00 0.00 O ATOM 394 CB PHE A 26 17.228 31.705 -17.855 1.00 0.00 C ATOM 395 CG PHE A 26 17.842 32.874 -17.123 1.00 0.00 C ATOM 396 CD1 PHE A 26 17.418 33.187 -15.826 1.00 0.00 C ATOM 397 CD2 PHE A 26 18.835 33.644 -17.740 1.00 0.00 C ATOM 398 CE1 PHE A 26 17.987 34.271 -15.146 1.00 0.00 C ATOM 399 CE2 PHE A 26 19.403 34.728 -17.061 1.00 0.00 C ATOM 400 CZ PHE A 26 18.979 35.042 -15.764 1.00 0.00 C ATOM 0 H PHE A 26 15.801 30.133 -19.108 1.00 0.00 H new ATOM 0 HA PHE A 26 15.218 32.412 -17.525 1.00 0.00 H new ATOM 0 HB2 PHE A 26 17.156 30.844 -17.191 1.00 0.00 H new ATOM 0 HB3 PHE A 26 17.863 31.411 -18.691 1.00 0.00 H new ATOM 0 HD1 PHE A 26 16.652 32.593 -15.350 1.00 0.00 H new ATOM 0 HD2 PHE A 26 19.163 33.402 -18.740 1.00 0.00 H new ATOM 0 HE1 PHE A 26 17.661 34.512 -14.145 1.00 0.00 H new ATOM 0 HE2 PHE A 26 20.169 35.322 -17.538 1.00 0.00 H new ATOM 0 HZ PHE A 26 19.417 35.879 -15.240 1.00 0.00 H new ATOM 410 N LEU A 27 16.216 32.940 -20.610 1.00 0.00 N ATOM 411 CA LEU A 27 16.364 33.971 -21.633 1.00 0.00 C ATOM 412 C LEU A 27 15.083 34.797 -21.735 1.00 0.00 C ATOM 413 O LEU A 27 15.132 36.020 -21.859 1.00 0.00 O ATOM 414 CB LEU A 27 16.699 33.303 -22.983 1.00 0.00 C ATOM 415 CG LEU A 27 16.933 34.325 -24.121 1.00 0.00 C ATOM 416 CD1 LEU A 27 15.596 34.783 -24.724 1.00 0.00 C ATOM 417 CD2 LEU A 27 17.719 35.543 -23.615 1.00 0.00 C ATOM 0 H LEU A 27 16.323 31.984 -20.950 1.00 0.00 H new ATOM 0 HA LEU A 27 17.177 34.644 -21.362 1.00 0.00 H new ATOM 0 HB2 LEU A 27 17.591 32.687 -22.866 1.00 0.00 H new ATOM 0 HB3 LEU A 27 15.885 32.635 -23.264 1.00 0.00 H new ATOM 0 HG LEU A 27 17.519 33.829 -24.895 1.00 0.00 H new ATOM 0 HD11 LEU A 27 15.784 35.501 -25.522 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.065 33.921 -25.129 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.989 35.252 -23.949 1.00 0.00 H new ATOM 0 HD21 LEU A 27 17.869 36.245 -24.435 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.159 36.031 -22.817 1.00 0.00 H new ATOM 0 HD23 LEU A 27 18.687 35.218 -23.233 1.00 0.00 H new ATOM 429 N VAL A 28 13.938 34.127 -21.665 1.00 0.00 N ATOM 430 CA VAL A 28 12.658 34.825 -21.738 1.00 0.00 C ATOM 431 C VAL A 28 12.241 35.323 -20.356 1.00 0.00 C ATOM 432 O VAL A 28 11.529 36.320 -20.238 1.00 0.00 O ATOM 433 CB VAL A 28 11.578 33.903 -22.310 1.00 0.00 C ATOM 434 CG1 VAL A 28 12.001 33.420 -23.699 1.00 0.00 C ATOM 435 CG2 VAL A 28 11.389 32.695 -21.389 1.00 0.00 C ATOM 0 H VAL A 28 13.868 33.115 -21.559 1.00 0.00 H new ATOM 0 HA VAL A 28 12.774 35.683 -22.400 1.00 0.00 H new ATOM 0 HB VAL A 28 10.639 34.452 -22.384 1.00 0.00 H new ATOM 0 HG11 VAL A 28 11.232 32.764 -24.106 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.132 34.278 -24.358 1.00 0.00 H new ATOM 0 HG13 VAL A 28 12.941 32.874 -23.624 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.619 32.041 -21.800 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.328 32.146 -21.311 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.085 33.036 -20.399 1.00 0.00 H new ATOM 445 N HIS A 29 12.691 34.633 -19.314 1.00 0.00 N ATOM 446 CA HIS A 29 12.360 35.028 -17.950 1.00 0.00 C ATOM 447 C HIS A 29 13.019 36.360 -17.602 1.00 0.00 C ATOM 448 O HIS A 29 12.542 37.089 -16.732 1.00 0.00 O ATOM 449 CB HIS A 29 12.830 33.957 -16.965 1.00 0.00 C ATOM 450 CG HIS A 29 12.315 34.282 -15.590 1.00 0.00 C ATOM 451 ND1 HIS A 29 10.988 34.099 -15.235 1.00 0.00 N ATOM 452 CD2 HIS A 29 12.937 34.782 -14.472 1.00 0.00 C ATOM 453 CE1 HIS A 29 10.854 34.483 -13.952 1.00 0.00 C ATOM 454 NE2 HIS A 29 12.012 34.908 -13.439 1.00 0.00 N ATOM 0 H HIS A 29 13.281 33.804 -19.386 1.00 0.00 H new ATOM 0 HA HIS A 29 11.278 35.138 -17.879 1.00 0.00 H new ATOM 0 HB2 HIS A 29 12.470 32.977 -17.278 1.00 0.00 H new ATOM 0 HB3 HIS A 29 13.919 33.909 -16.955 1.00 0.00 H new ATOM 0 HD2 HIS A 29 13.984 35.038 -14.405 1.00 0.00 H new ATOM 0 HE1 HIS A 29 9.924 34.451 -13.404 1.00 0.00 H new ATOM 0 HE2 HIS A 29 12.182 35.251 -12.494 1.00 0.00 H new ATOM 463 N SER A 30 14.115 36.667 -18.292 1.00 0.00 N ATOM 464 CA SER A 30 14.830 37.917 -18.046 1.00 0.00 C ATOM 465 C SER A 30 14.851 38.801 -19.295 1.00 0.00 C ATOM 466 O SER A 30 15.552 39.812 -19.333 1.00 0.00 O ATOM 467 CB SER A 30 16.261 37.624 -17.597 1.00 0.00 C ATOM 468 OG SER A 30 16.926 38.849 -17.318 1.00 0.00 O ATOM 0 H SER A 30 14.523 36.076 -19.017 1.00 0.00 H new ATOM 0 HA SER A 30 14.304 38.454 -17.257 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.254 36.991 -16.710 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.794 37.077 -18.375 1.00 0.00 H new ATOM 0 HG SER A 30 16.582 39.550 -17.910 1.00 0.00 H new ATOM 474 N SER A 31 14.083 38.419 -20.313 1.00 0.00 N ATOM 475 CA SER A 31 14.032 39.193 -21.548 1.00 0.00 C ATOM 476 C SER A 31 13.432 40.573 -21.301 1.00 0.00 C ATOM 477 O SER A 31 13.867 41.561 -21.893 1.00 0.00 O ATOM 478 CB SER A 31 13.204 38.453 -22.599 1.00 0.00 C ATOM 479 OG SER A 31 13.122 39.246 -23.776 1.00 0.00 O ATOM 0 H SER A 31 13.494 37.587 -20.307 1.00 0.00 H new ATOM 0 HA SER A 31 15.052 39.317 -21.912 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.661 37.490 -22.827 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.205 38.249 -22.214 1.00 0.00 H new ATOM 0 HG SER A 31 12.593 38.774 -24.452 1.00 0.00 H new ATOM 485 N ASN A 32 12.433 40.639 -20.429 1.00 0.00 N ATOM 486 CA ASN A 32 11.787 41.910 -20.121 1.00 0.00 C ATOM 487 C ASN A 32 12.802 42.914 -19.588 1.00 0.00 C ATOM 488 O ASN A 32 12.759 44.097 -19.926 1.00 0.00 O ATOM 489 CB ASN A 32 10.687 41.698 -19.080 1.00 0.00 C ATOM 490 CG ASN A 32 11.232 40.900 -17.900 1.00 0.00 C ATOM 491 OD1 ASN A 32 11.631 39.746 -18.060 1.00 0.00 O ATOM 492 ND2 ASN A 32 11.275 41.449 -16.717 1.00 0.00 N ATOM 0 H ASN A 32 12.055 39.836 -19.927 1.00 0.00 H new ATOM 0 HA ASN A 32 11.350 42.303 -21.039 1.00 0.00 H new ATOM 0 HB2 ASN A 32 10.311 42.661 -18.735 1.00 0.00 H new ATOM 0 HB3 ASN A 32 9.846 41.170 -19.530 1.00 0.00 H new ATOM 0 HD21 ASN A 32 11.639 40.922 -15.923 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.944 42.405 -16.586 1.00 0.00 H new ATOM 499 N ASN A 33 13.717 42.432 -18.757 1.00 0.00 N ATOM 500 CA ASN A 33 14.742 43.299 -18.189 1.00 0.00 C ATOM 501 C ASN A 33 15.670 43.799 -19.289 1.00 0.00 C ATOM 502 O ASN A 33 16.063 44.964 -19.308 1.00 0.00 O ATOM 503 CB ASN A 33 15.549 42.541 -17.133 1.00 0.00 C ATOM 504 CG ASN A 33 14.689 42.293 -15.898 1.00 0.00 C ATOM 505 OD1 ASN A 33 14.306 41.156 -15.625 1.00 0.00 O ATOM 506 ND2 ASN A 33 14.361 43.297 -15.131 1.00 0.00 N ATOM 0 H ASN A 33 13.771 41.457 -18.464 1.00 0.00 H new ATOM 0 HA ASN A 33 14.256 44.153 -17.717 1.00 0.00 H new ATOM 0 HB2 ASN A 33 15.896 41.592 -17.541 1.00 0.00 H new ATOM 0 HB3 ASN A 33 16.435 43.114 -16.860 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.786 43.140 -14.303 1.00 0.00 H new ATOM 0 HD22 ASN A 33 14.680 44.239 -15.359 1.00 0.00 H new ATOM 513 N PHE A 34 16.018 42.897 -20.200 1.00 0.00 N ATOM 514 CA PHE A 34 16.907 43.238 -21.305 1.00 0.00 C ATOM 515 C PHE A 34 16.389 44.466 -22.048 1.00 0.00 C ATOM 516 O PHE A 34 17.171 45.281 -22.538 1.00 0.00 O ATOM 517 CB PHE A 34 17.026 42.058 -22.272 1.00 0.00 C ATOM 518 CG PHE A 34 17.984 42.411 -23.384 1.00 0.00 C ATOM 519 CD1 PHE A 34 19.361 42.242 -23.201 1.00 0.00 C ATOM 520 CD2 PHE A 34 17.495 42.909 -24.597 1.00 0.00 C ATOM 521 CE1 PHE A 34 20.250 42.571 -24.232 1.00 0.00 C ATOM 522 CE2 PHE A 34 18.383 43.238 -25.628 1.00 0.00 C ATOM 523 CZ PHE A 34 19.761 43.068 -25.446 1.00 0.00 C ATOM 0 H PHE A 34 15.700 41.928 -20.196 1.00 0.00 H new ATOM 0 HA PHE A 34 17.892 43.464 -20.897 1.00 0.00 H new ATOM 0 HB2 PHE A 34 17.379 41.174 -21.741 1.00 0.00 H new ATOM 0 HB3 PHE A 34 16.048 41.813 -22.685 1.00 0.00 H new ATOM 0 HD1 PHE A 34 19.738 41.858 -22.265 1.00 0.00 H new ATOM 0 HD2 PHE A 34 16.432 43.040 -24.738 1.00 0.00 H new ATOM 0 HE1 PHE A 34 21.313 42.441 -24.090 1.00 0.00 H new ATOM 0 HE2 PHE A 34 18.005 43.623 -26.564 1.00 0.00 H new ATOM 0 HZ PHE A 34 20.446 43.320 -26.242 1.00 0.00 H new ATOM 533 N GLY A 35 15.069 44.601 -22.118 1.00 0.00 N ATOM 534 CA GLY A 35 14.465 45.743 -22.795 1.00 0.00 C ATOM 535 C GLY A 35 14.842 47.044 -22.094 1.00 0.00 C ATOM 536 O GLY A 35 15.481 47.914 -22.686 1.00 0.00 O ATOM 0 H GLY A 35 14.402 43.941 -21.718 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.796 45.774 -23.833 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.381 45.632 -22.809 1.00 0.00 H new ATOM 540 N ALA A 36 14.446 47.173 -20.832 1.00 0.00 N ATOM 541 CA ALA A 36 14.753 48.376 -20.067 1.00 0.00 C ATOM 542 C ALA A 36 16.262 48.595 -19.996 1.00 0.00 C ATOM 543 O ALA A 36 16.734 49.730 -19.947 1.00 0.00 O ATOM 544 CB ALA A 36 14.187 48.252 -18.651 1.00 0.00 C ATOM 0 H ALA A 36 13.917 46.466 -20.321 1.00 0.00 H new ATOM 0 HA ALA A 36 14.296 49.230 -20.568 1.00 0.00 H new ATOM 0 HB1 ALA A 36 14.420 49.154 -18.086 1.00 0.00 H new ATOM 0 HB2 ALA A 36 13.106 48.125 -18.701 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.631 47.389 -18.156 1.00 0.00 H new ATOM 550 N ILE A 37 17.009 47.497 -19.989 1.00 0.00 N ATOM 551 CA ILE A 37 18.465 47.567 -19.924 1.00 0.00 C ATOM 552 C ILE A 37 19.028 48.285 -21.146 1.00 0.00 C ATOM 553 O ILE A 37 20.019 49.008 -21.052 1.00 0.00 O ATOM 554 CB ILE A 37 19.051 46.156 -19.845 1.00 0.00 C ATOM 555 CG1 ILE A 37 18.870 45.610 -18.424 1.00 0.00 C ATOM 556 CG2 ILE A 37 20.542 46.203 -20.186 1.00 0.00 C ATOM 557 CD1 ILE A 37 19.173 44.110 -18.404 1.00 0.00 C ATOM 0 H ILE A 37 16.632 46.550 -20.027 1.00 0.00 H new ATOM 0 HA ILE A 37 18.741 48.128 -19.031 1.00 0.00 H new ATOM 0 HB ILE A 37 18.537 45.507 -20.554 1.00 0.00 H new ATOM 0 HG12 ILE A 37 19.533 46.134 -17.736 1.00 0.00 H new ATOM 0 HG13 ILE A 37 17.851 45.789 -18.083 1.00 0.00 H new ATOM 0 HG21 ILE A 37 20.960 45.198 -20.130 1.00 0.00 H new ATOM 0 HG22 ILE A 37 20.672 46.594 -21.195 1.00 0.00 H new ATOM 0 HG23 ILE A 37 21.057 46.850 -19.476 1.00 0.00 H new ATOM 0 HD11 ILE A 37 19.043 43.726 -17.392 1.00 0.00 H new ATOM 0 HD12 ILE A 37 18.492 43.592 -19.079 1.00 0.00 H new ATOM 0 HD13 ILE A 37 20.200 43.942 -18.727 1.00 0.00 H new ATOM 569 N LEU A 38 18.387 48.077 -22.291 1.00 0.00 N ATOM 570 CA LEU A 38 18.829 48.705 -23.530 1.00 0.00 C ATOM 571 C LEU A 38 18.597 50.211 -23.477 1.00 0.00 C ATOM 572 O LEU A 38 19.299 50.980 -24.135 1.00 0.00 O ATOM 573 CB LEU A 38 18.076 48.105 -24.722 1.00 0.00 C ATOM 574 CG LEU A 38 18.585 48.723 -26.028 1.00 0.00 C ATOM 575 CD1 LEU A 38 20.045 48.321 -26.257 1.00 0.00 C ATOM 576 CD2 LEU A 38 17.731 48.217 -27.194 1.00 0.00 C ATOM 0 H LEU A 38 17.564 47.482 -22.387 1.00 0.00 H new ATOM 0 HA LEU A 38 19.896 48.519 -23.650 1.00 0.00 H new ATOM 0 HB2 LEU A 38 18.214 47.024 -24.743 1.00 0.00 H new ATOM 0 HB3 LEU A 38 17.007 48.287 -24.616 1.00 0.00 H new ATOM 0 HG LEU A 38 18.516 49.809 -25.964 1.00 0.00 H new ATOM 0 HD11 LEU A 38 20.402 48.763 -27.187 1.00 0.00 H new ATOM 0 HD12 LEU A 38 20.655 48.678 -25.427 1.00 0.00 H new ATOM 0 HD13 LEU A 38 20.118 47.235 -26.320 1.00 0.00 H new ATOM 0 HD21 LEU A 38 18.091 48.655 -28.125 1.00 0.00 H new ATOM 0 HD22 LEU A 38 17.802 47.131 -27.253 1.00 0.00 H new ATOM 0 HD23 LEU A 38 16.692 48.505 -27.035 1.00 0.00 H new ATOM 588 N SER A 39 17.614 50.629 -22.687 1.00 0.00 N ATOM 589 CA SER A 39 17.307 52.048 -22.554 1.00 0.00 C ATOM 590 C SER A 39 18.158 52.684 -21.456 1.00 0.00 C ATOM 591 O SER A 39 18.327 53.902 -21.420 1.00 0.00 O ATOM 592 CB SER A 39 15.826 52.233 -22.223 1.00 0.00 C ATOM 593 OG SER A 39 15.039 51.724 -23.292 1.00 0.00 O ATOM 0 H SER A 39 17.021 50.011 -22.133 1.00 0.00 H new ATOM 0 HA SER A 39 17.533 52.537 -23.501 1.00 0.00 H new ATOM 0 HB2 SER A 39 15.581 51.714 -21.296 1.00 0.00 H new ATOM 0 HB3 SER A 39 15.606 53.289 -22.065 1.00 0.00 H new ATOM 0 HG SER A 39 14.089 51.839 -23.082 1.00 0.00 H new ATOM 599 N SER A 40 18.691 51.853 -20.563 1.00 0.00 N ATOM 600 CA SER A 40 19.521 52.352 -19.473 1.00 0.00 C ATOM 601 C SER A 40 20.993 52.333 -19.869 1.00 0.00 C ATOM 602 O SER A 40 21.870 52.142 -19.027 1.00 0.00 O ATOM 603 CB SER A 40 19.316 51.492 -18.225 1.00 0.00 C ATOM 604 OG SER A 40 17.946 51.534 -17.846 1.00 0.00 O ATOM 0 H SER A 40 18.564 50.841 -20.573 1.00 0.00 H new ATOM 0 HA SER A 40 19.227 53.379 -19.259 1.00 0.00 H new ATOM 0 HB2 SER A 40 19.619 50.464 -18.424 1.00 0.00 H new ATOM 0 HB3 SER A 40 19.942 51.857 -17.411 1.00 0.00 H new ATOM 0 HG SER A 40 17.420 50.979 -18.459 1.00 0.00 H new ATOM 610 N THR A 41 21.257 52.533 -21.156 1.00 0.00 N ATOM 611 CA THR A 41 22.628 52.536 -21.655 1.00 0.00 C ATOM 612 C THR A 41 23.487 53.530 -20.875 1.00 0.00 C ATOM 613 O THR A 41 24.713 53.413 -20.847 1.00 0.00 O ATOM 614 CB THR A 41 22.642 52.904 -23.140 1.00 0.00 C ATOM 615 OG1 THR A 41 23.984 53.105 -23.563 1.00 0.00 O ATOM 616 CG2 THR A 41 21.837 54.185 -23.359 1.00 0.00 C ATOM 0 H THR A 41 20.545 52.694 -21.869 1.00 0.00 H new ATOM 0 HA THR A 41 23.042 51.536 -21.522 1.00 0.00 H new ATOM 0 HB THR A 41 22.195 52.096 -23.719 1.00 0.00 H new ATOM 0 HG1 THR A 41 23.995 53.339 -24.514 1.00 0.00 H new ATOM 0 HG21 THR A 41 21.848 54.445 -24.417 1.00 0.00 H new ATOM 0 HG22 THR A 41 20.808 54.028 -23.035 1.00 0.00 H new ATOM 0 HG23 THR A 41 22.280 54.996 -22.781 1.00 0.00 H new ATOM 624 N ASN A 42 22.841 54.507 -20.244 1.00 0.00 N ATOM 625 CA ASN A 42 23.564 55.511 -19.471 1.00 0.00 C ATOM 626 C ASN A 42 23.788 55.044 -18.032 1.00 0.00 C ATOM 627 O ASN A 42 24.089 55.851 -17.152 1.00 0.00 O ATOM 628 CB ASN A 42 22.779 56.825 -19.465 1.00 0.00 C ATOM 629 CG ASN A 42 21.385 56.600 -18.888 1.00 0.00 C ATOM 630 OD1 ASN A 42 21.113 55.546 -18.312 1.00 0.00 O ATOM 631 ND2 ASN A 42 20.480 57.532 -19.010 1.00 0.00 N ATOM 0 H ASN A 42 21.828 54.624 -20.252 1.00 0.00 H new ATOM 0 HA ASN A 42 24.536 55.663 -19.939 1.00 0.00 H new ATOM 0 HB2 ASN A 42 23.309 57.572 -18.874 1.00 0.00 H new ATOM 0 HB3 ASN A 42 22.702 57.217 -20.479 1.00 0.00 H new ATOM 0 HD21 ASN A 42 19.545 57.388 -18.628 1.00 0.00 H new ATOM 0 HD22 ASN A 42 20.707 58.404 -19.487 1.00 0.00 H new ATOM 638 N VAL A 43 23.642 53.742 -17.794 1.00 0.00 N ATOM 639 CA VAL A 43 23.835 53.194 -16.456 1.00 0.00 C ATOM 640 C VAL A 43 25.266 52.682 -16.275 1.00 0.00 C ATOM 641 O VAL A 43 25.731 52.502 -15.150 1.00 0.00 O ATOM 642 CB VAL A 43 22.840 52.053 -16.218 1.00 0.00 C ATOM 643 CG1 VAL A 43 23.365 50.761 -16.855 1.00 0.00 C ATOM 644 CG2 VAL A 43 22.650 51.843 -14.712 1.00 0.00 C ATOM 0 H VAL A 43 23.393 53.053 -18.504 1.00 0.00 H new ATOM 0 HA VAL A 43 23.662 53.988 -15.729 1.00 0.00 H new ATOM 0 HB VAL A 43 21.884 52.312 -16.672 1.00 0.00 H new ATOM 0 HG11 VAL A 43 22.653 49.954 -16.682 1.00 0.00 H new ATOM 0 HG12 VAL A 43 23.492 50.909 -17.927 1.00 0.00 H new ATOM 0 HG13 VAL A 43 24.325 50.499 -16.409 1.00 0.00 H new ATOM 0 HG21 VAL A 43 21.942 51.031 -14.544 1.00 0.00 H new ATOM 0 HG22 VAL A 43 23.607 51.590 -14.256 1.00 0.00 H new ATOM 0 HG23 VAL A 43 22.265 52.759 -14.263 1.00 0.00 H new ATOM 654 N GLY A 44 25.964 52.451 -17.385 1.00 0.00 N ATOM 655 CA GLY A 44 27.338 51.964 -17.321 1.00 0.00 C ATOM 656 C GLY A 44 27.533 50.733 -18.206 1.00 0.00 C ATOM 657 O GLY A 44 28.652 50.245 -18.360 1.00 0.00 O ATOM 0 H GLY A 44 25.605 52.592 -18.329 1.00 0.00 H new ATOM 0 HA2 GLY A 44 28.021 52.753 -17.636 1.00 0.00 H new ATOM 0 HA3 GLY A 44 27.591 51.717 -16.290 1.00 0.00 H new ATOM 661 N SER A 45 26.442 50.235 -18.785 1.00 0.00 N ATOM 662 CA SER A 45 26.515 49.064 -19.651 1.00 0.00 C ATOM 663 C SER A 45 26.582 49.488 -21.114 1.00 0.00 C ATOM 664 O SER A 45 26.051 48.809 -21.993 1.00 0.00 O ATOM 665 CB SER A 45 25.294 48.172 -19.430 1.00 0.00 C ATOM 666 OG SER A 45 24.112 48.926 -19.667 1.00 0.00 O ATOM 0 H SER A 45 25.505 50.622 -18.671 1.00 0.00 H new ATOM 0 HA SER A 45 27.418 48.506 -19.403 1.00 0.00 H new ATOM 0 HB2 SER A 45 25.331 47.313 -20.099 1.00 0.00 H new ATOM 0 HB3 SER A 45 25.293 47.783 -18.412 1.00 0.00 H new ATOM 0 HG SER A 45 23.327 48.356 -19.528 1.00 0.00 H new ATOM 672 N ASN A 46 27.233 50.618 -21.366 1.00 0.00 N ATOM 673 CA ASN A 46 27.361 51.127 -22.727 1.00 0.00 C ATOM 674 C ASN A 46 28.615 50.576 -23.405 1.00 0.00 C ATOM 675 O ASN A 46 29.110 51.156 -24.371 1.00 0.00 O ATOM 676 CB ASN A 46 27.422 52.655 -22.704 1.00 0.00 C ATOM 677 CG ASN A 46 28.693 53.116 -21.998 1.00 0.00 C ATOM 678 OD1 ASN A 46 28.968 52.693 -20.875 1.00 0.00 O ATOM 679 ND2 ASN A 46 29.488 53.963 -22.592 1.00 0.00 N ATOM 0 H ASN A 46 27.677 51.195 -20.652 1.00 0.00 H new ATOM 0 HA ASN A 46 26.490 50.801 -23.296 1.00 0.00 H new ATOM 0 HB2 ASN A 46 27.401 53.043 -23.722 1.00 0.00 H new ATOM 0 HB3 ASN A 46 26.547 53.054 -22.192 1.00 0.00 H new ATOM 0 HD21 ASN A 46 30.340 54.276 -22.126 1.00 0.00 H new ATOM 0 HD22 ASN A 46 29.258 54.312 -23.522 1.00 0.00 H new ATOM 686 N THR A 47 29.123 49.454 -22.900 1.00 0.00 N ATOM 687 CA THR A 47 30.316 48.844 -23.476 1.00 0.00 C ATOM 688 C THR A 47 29.938 47.831 -24.554 1.00 0.00 C ATOM 689 O THR A 47 30.719 46.938 -24.881 1.00 0.00 O ATOM 690 CB THR A 47 31.131 48.152 -22.380 1.00 0.00 C ATOM 691 OG1 THR A 47 30.296 47.247 -21.671 1.00 0.00 O ATOM 692 CG2 THR A 47 31.687 49.201 -21.417 1.00 0.00 C ATOM 0 H THR A 47 28.731 48.954 -22.102 1.00 0.00 H new ATOM 0 HA THR A 47 30.917 49.630 -23.932 1.00 0.00 H new ATOM 0 HB THR A 47 31.958 47.604 -22.832 1.00 0.00 H new ATOM 0 HG1 THR A 47 30.817 46.802 -20.970 1.00 0.00 H new ATOM 0 HG21 THR A 47 32.267 48.708 -20.637 1.00 0.00 H new ATOM 0 HG22 THR A 47 32.328 49.893 -21.963 1.00 0.00 H new ATOM 0 HG23 THR A 47 30.863 49.751 -20.963 1.00 0.00 H new ATOM 700 N TYR A 48 28.735 47.975 -25.104 1.00 0.00 N ATOM 701 CA TYR A 48 28.267 47.067 -26.145 1.00 0.00 C ATOM 702 C TYR A 48 28.029 47.819 -27.453 1.00 0.00 C ATOM 703 O TYR A 48 27.283 47.359 -28.316 1.00 0.00 O ATOM 704 CB TYR A 48 26.968 46.390 -25.700 1.00 0.00 C ATOM 705 CG TYR A 48 25.823 47.370 -25.811 1.00 0.00 C ATOM 706 CD1 TYR A 48 24.880 47.232 -26.837 1.00 0.00 C ATOM 707 CD2 TYR A 48 25.704 48.416 -24.888 1.00 0.00 C ATOM 708 CE1 TYR A 48 23.819 48.140 -26.941 1.00 0.00 C ATOM 709 CE2 TYR A 48 24.644 49.324 -24.992 1.00 0.00 C ATOM 710 CZ TYR A 48 23.702 49.186 -26.018 1.00 0.00 C ATOM 711 OH TYR A 48 22.657 50.082 -26.120 1.00 0.00 O ATOM 0 H TYR A 48 28.072 48.706 -24.848 1.00 0.00 H new ATOM 0 HA TYR A 48 29.035 46.311 -26.311 1.00 0.00 H new ATOM 0 HB2 TYR A 48 26.772 45.514 -26.319 1.00 0.00 H new ATOM 0 HB3 TYR A 48 27.062 46.040 -24.672 1.00 0.00 H new ATOM 0 HD1 TYR A 48 24.971 46.425 -27.549 1.00 0.00 H new ATOM 0 HD2 TYR A 48 26.430 48.522 -24.096 1.00 0.00 H new ATOM 0 HE1 TYR A 48 23.092 48.033 -27.732 1.00 0.00 H new ATOM 0 HE2 TYR A 48 24.553 50.131 -24.280 1.00 0.00 H new ATOM 0 HH TYR A 48 22.723 50.745 -25.401 1.00 0.00 H new ATOM 721 N GLY A 49 28.668 48.978 -27.594 1.00 0.00 N ATOM 722 CA GLY A 49 28.513 49.779 -28.802 1.00 0.00 C ATOM 723 C GLY A 49 28.719 48.929 -30.050 1.00 0.00 C ATOM 724 O GLY A 49 29.764 48.300 -30.220 1.00 0.00 O ATOM 0 H GLY A 49 29.292 49.379 -26.894 1.00 0.00 H new ATOM 0 HA2 GLY A 49 27.519 50.226 -28.822 1.00 0.00 H new ATOM 0 HA3 GLY A 49 29.231 50.599 -28.794 1.00 0.00 H new ATOM 728 N LYS A 50 27.716 48.916 -30.921 1.00 0.00 N ATOM 729 CA LYS A 50 27.795 48.140 -32.153 1.00 0.00 C ATOM 730 C LYS A 50 28.929 48.649 -33.037 1.00 0.00 C ATOM 731 O LYS A 50 29.617 47.866 -33.693 1.00 0.00 O ATOM 732 CB LYS A 50 26.471 48.233 -32.915 1.00 0.00 C ATOM 733 CG LYS A 50 25.390 47.461 -32.157 1.00 0.00 C ATOM 734 CD LYS A 50 24.133 47.354 -33.025 1.00 0.00 C ATOM 735 CE LYS A 50 23.459 48.724 -33.122 1.00 0.00 C ATOM 736 NZ LYS A 50 23.034 49.166 -31.764 1.00 0.00 N ATOM 0 H LYS A 50 26.844 49.431 -30.798 1.00 0.00 H new ATOM 0 HA LYS A 50 27.992 47.100 -31.892 1.00 0.00 H new ATOM 0 HB2 LYS A 50 26.176 49.276 -33.027 1.00 0.00 H new ATOM 0 HB3 LYS A 50 26.588 47.825 -33.919 1.00 0.00 H new ATOM 0 HG2 LYS A 50 25.752 46.466 -31.899 1.00 0.00 H new ATOM 0 HG3 LYS A 50 25.156 47.967 -31.221 1.00 0.00 H new ATOM 0 HD2 LYS A 50 24.395 46.995 -34.020 1.00 0.00 H new ATOM 0 HD3 LYS A 50 23.443 46.627 -32.596 1.00 0.00 H new ATOM 0 HE2 LYS A 50 24.148 49.450 -33.553 1.00 0.00 H new ATOM 0 HE3 LYS A 50 22.596 48.670 -33.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 22.231 49.822 -31.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 22.747 48.338 -31.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 23.826 49.647 -31.292 1.00 0.00 H new ATOM 750 N ARG A 51 29.113 49.966 -33.052 1.00 0.00 N ATOM 751 CA ARG A 51 30.163 50.573 -33.864 1.00 0.00 C ATOM 752 C ARG A 51 31.493 49.858 -33.645 1.00 0.00 C ATOM 753 O ARG A 51 32.318 49.773 -34.554 1.00 0.00 O ATOM 754 CB ARG A 51 30.309 52.056 -33.511 1.00 0.00 C ATOM 755 CG ARG A 51 30.885 52.198 -32.100 1.00 0.00 C ATOM 756 CD ARG A 51 30.901 53.675 -31.703 1.00 0.00 C ATOM 757 NE ARG A 51 31.492 53.836 -30.378 1.00 0.00 N ATOM 758 CZ ARG A 51 30.794 53.604 -29.264 1.00 0.00 C ATOM 759 NH1 ARG A 51 29.545 53.217 -29.323 1.00 0.00 N ATOM 760 NH2 ARG A 51 31.365 53.766 -28.102 1.00 0.00 N ATOM 0 H ARG A 51 28.554 50.629 -32.516 1.00 0.00 H new ATOM 0 HA ARG A 51 29.884 50.478 -34.913 1.00 0.00 H new ATOM 0 HB2 ARG A 51 30.962 52.548 -34.232 1.00 0.00 H new ATOM 0 HB3 ARG A 51 29.339 52.551 -33.570 1.00 0.00 H new ATOM 0 HG2 ARG A 51 30.286 51.626 -31.392 1.00 0.00 H new ATOM 0 HG3 ARG A 51 31.895 51.790 -32.065 1.00 0.00 H new ATOM 0 HD2 ARG A 51 31.469 54.249 -32.435 1.00 0.00 H new ATOM 0 HD3 ARG A 51 29.885 54.071 -31.706 1.00 0.00 H new ATOM 0 HE ARG A 51 32.465 54.134 -30.301 1.00 0.00 H new ATOM 0 HH11 ARG A 51 29.093 53.089 -30.228 1.00 0.00 H new ATOM 0 HH12 ARG A 51 29.024 53.043 -28.464 1.00 0.00 H new ATOM 0 HH21 ARG A 51 32.338 54.068 -28.049 1.00 0.00 H new ATOM 0 HH22 ARG A 51 30.838 53.591 -27.246 1.00 0.00 H new ATOM 774 N ASN A 52 31.696 49.346 -32.437 1.00 0.00 N ATOM 775 CA ASN A 52 32.932 48.641 -32.120 1.00 0.00 C ATOM 776 C ASN A 52 33.074 47.399 -32.994 1.00 0.00 C ATOM 777 O ASN A 52 34.156 47.101 -33.500 1.00 0.00 O ATOM 778 CB ASN A 52 32.935 48.230 -30.646 1.00 0.00 C ATOM 779 CG ASN A 52 34.345 47.838 -30.217 1.00 0.00 C ATOM 780 OD1 ASN A 52 35.070 48.653 -29.647 1.00 0.00 O ATOM 781 ND2 ASN A 52 34.780 46.631 -30.459 1.00 0.00 N ATOM 0 H ASN A 52 31.028 49.405 -31.668 1.00 0.00 H new ATOM 0 HA ASN A 52 33.771 49.309 -32.313 1.00 0.00 H new ATOM 0 HB2 ASN A 52 32.574 49.053 -30.030 1.00 0.00 H new ATOM 0 HB3 ASN A 52 32.253 47.394 -30.492 1.00 0.00 H new ATOM 0 HD21 ASN A 52 35.722 46.362 -30.176 1.00 0.00 H new ATOM 0 HD22 ASN A 52 34.178 45.957 -30.931 1.00 0.00 H new ATOM 788 N ALA A 53 31.970 46.679 -33.161 1.00 0.00 N ATOM 789 CA ALA A 53 31.971 45.463 -33.967 1.00 0.00 C ATOM 790 C ALA A 53 32.272 45.779 -35.430 1.00 0.00 C ATOM 791 O ALA A 53 33.082 45.103 -36.065 1.00 0.00 O ATOM 792 CB ALA A 53 30.612 44.768 -33.862 1.00 0.00 C ATOM 0 H ALA A 53 31.066 46.915 -32.751 1.00 0.00 H new ATOM 0 HA ALA A 53 32.750 44.802 -33.587 1.00 0.00 H new ATOM 0 HB1 ALA A 53 30.620 43.861 -34.466 1.00 0.00 H new ATOM 0 HB2 ALA A 53 30.415 44.509 -32.822 1.00 0.00 H new ATOM 0 HB3 ALA A 53 29.832 45.438 -34.223 1.00 0.00 H new ATOM 798 N VAL A 54 31.612 46.802 -35.963 1.00 0.00 N ATOM 799 CA VAL A 54 31.815 47.184 -37.357 1.00 0.00 C ATOM 800 C VAL A 54 33.203 47.787 -37.560 1.00 0.00 C ATOM 801 O VAL A 54 33.719 47.817 -38.678 1.00 0.00 O ATOM 802 CB VAL A 54 30.743 48.194 -37.781 1.00 0.00 C ATOM 803 CG1 VAL A 54 31.311 49.615 -37.727 1.00 0.00 C ATOM 804 CG2 VAL A 54 30.290 47.881 -39.209 1.00 0.00 C ATOM 0 H VAL A 54 30.938 47.377 -35.457 1.00 0.00 H new ATOM 0 HA VAL A 54 31.735 46.289 -37.974 1.00 0.00 H new ATOM 0 HB VAL A 54 29.895 48.123 -37.100 1.00 0.00 H new ATOM 0 HG11 VAL A 54 30.542 50.326 -38.030 1.00 0.00 H new ATOM 0 HG12 VAL A 54 31.633 49.840 -36.710 1.00 0.00 H new ATOM 0 HG13 VAL A 54 32.163 49.692 -38.403 1.00 0.00 H new ATOM 0 HG21 VAL A 54 29.527 48.597 -39.514 1.00 0.00 H new ATOM 0 HG22 VAL A 54 31.143 47.949 -39.884 1.00 0.00 H new ATOM 0 HG23 VAL A 54 29.877 46.873 -39.247 1.00 0.00 H new ATOM 814 N GLU A 55 33.805 48.266 -36.474 1.00 0.00 N ATOM 815 CA GLU A 55 35.132 48.863 -36.558 1.00 0.00 C ATOM 816 C GLU A 55 36.192 47.786 -36.758 1.00 0.00 C ATOM 817 O GLU A 55 36.938 47.811 -37.737 1.00 0.00 O ATOM 818 CB GLU A 55 35.435 49.652 -35.282 1.00 0.00 C ATOM 819 CG GLU A 55 35.013 51.110 -35.471 1.00 0.00 C ATOM 820 CD GLU A 55 35.915 51.785 -36.499 1.00 0.00 C ATOM 821 OE1 GLU A 55 37.046 52.089 -36.158 1.00 0.00 O ATOM 822 OE2 GLU A 55 35.461 51.988 -37.614 1.00 0.00 O ATOM 0 H GLU A 55 33.400 48.253 -35.538 1.00 0.00 H new ATOM 0 HA GLU A 55 35.151 49.539 -37.413 1.00 0.00 H new ATOM 0 HB2 GLU A 55 34.903 49.215 -34.437 1.00 0.00 H new ATOM 0 HB3 GLU A 55 36.499 49.597 -35.052 1.00 0.00 H new ATOM 0 HG2 GLU A 55 33.975 51.157 -35.799 1.00 0.00 H new ATOM 0 HG3 GLU A 55 35.071 51.640 -34.520 1.00 0.00 H new ATOM 829 N VAL A 56 36.253 46.839 -35.827 1.00 0.00 N ATOM 830 CA VAL A 56 37.226 45.758 -35.922 1.00 0.00 C ATOM 831 C VAL A 56 37.050 45.001 -37.234 1.00 0.00 C ATOM 832 O VAL A 56 38.010 44.463 -37.786 1.00 0.00 O ATOM 833 CB VAL A 56 37.062 44.796 -34.742 1.00 0.00 C ATOM 834 CG1 VAL A 56 35.667 44.171 -34.774 1.00 0.00 C ATOM 835 CG2 VAL A 56 38.117 43.692 -34.836 1.00 0.00 C ATOM 0 H VAL A 56 35.647 46.798 -35.007 1.00 0.00 H new ATOM 0 HA VAL A 56 38.227 46.189 -35.894 1.00 0.00 H new ATOM 0 HB VAL A 56 37.189 45.345 -33.809 1.00 0.00 H new ATOM 0 HG11 VAL A 56 35.555 43.487 -33.932 1.00 0.00 H new ATOM 0 HG12 VAL A 56 34.915 44.957 -34.706 1.00 0.00 H new ATOM 0 HG13 VAL A 56 35.535 43.623 -35.707 1.00 0.00 H new ATOM 0 HG21 VAL A 56 38.002 43.006 -33.997 1.00 0.00 H new ATOM 0 HG22 VAL A 56 37.990 43.146 -35.771 1.00 0.00 H new ATOM 0 HG23 VAL A 56 39.112 44.136 -34.808 1.00 0.00 H new ATOM 845 N LEU A 57 35.816 44.966 -37.729 1.00 0.00 N ATOM 846 CA LEU A 57 35.527 44.273 -38.979 1.00 0.00 C ATOM 847 C LEU A 57 36.439 44.790 -40.087 1.00 0.00 C ATOM 848 O LEU A 57 37.030 44.012 -40.836 1.00 0.00 O ATOM 849 CB LEU A 57 34.065 44.487 -39.376 1.00 0.00 C ATOM 850 CG LEU A 57 33.310 43.161 -39.278 1.00 0.00 C ATOM 851 CD1 LEU A 57 32.953 42.882 -37.817 1.00 0.00 C ATOM 852 CD2 LEU A 57 32.027 43.243 -40.110 1.00 0.00 C ATOM 0 H LEU A 57 35.008 45.405 -37.288 1.00 0.00 H new ATOM 0 HA LEU A 57 35.705 43.207 -38.835 1.00 0.00 H new ATOM 0 HB2 LEU A 57 33.605 45.229 -38.723 1.00 0.00 H new ATOM 0 HB3 LEU A 57 34.006 44.877 -40.392 1.00 0.00 H new ATOM 0 HG LEU A 57 33.940 42.356 -39.657 1.00 0.00 H new ATOM 0 HD11 LEU A 57 32.415 41.937 -37.748 1.00 0.00 H new ATOM 0 HD12 LEU A 57 33.866 42.824 -37.224 1.00 0.00 H new ATOM 0 HD13 LEU A 57 32.324 43.686 -37.436 1.00 0.00 H new ATOM 0 HD21 LEU A 57 31.488 42.298 -40.041 1.00 0.00 H new ATOM 0 HD22 LEU A 57 31.398 44.048 -39.731 1.00 0.00 H new ATOM 0 HD23 LEU A 57 32.281 43.441 -41.151 1.00 0.00 H new ATOM 864 N LYS A 58 36.550 46.112 -40.173 1.00 0.00 N ATOM 865 CA LYS A 58 37.397 46.739 -41.182 1.00 0.00 C ATOM 866 C LYS A 58 38.851 46.319 -40.992 1.00 0.00 C ATOM 867 O LYS A 58 39.575 46.091 -41.960 1.00 0.00 O ATOM 868 CB LYS A 58 37.291 48.262 -41.075 1.00 0.00 C ATOM 869 CG LYS A 58 35.933 48.721 -41.609 1.00 0.00 C ATOM 870 CD LYS A 58 36.006 48.874 -43.129 1.00 0.00 C ATOM 871 CE LYS A 58 34.718 49.522 -43.640 1.00 0.00 C ATOM 872 NZ LYS A 58 33.591 48.555 -43.511 1.00 0.00 N ATOM 0 H LYS A 58 36.066 46.767 -39.559 1.00 0.00 H new ATOM 0 HA LYS A 58 37.060 46.417 -42.167 1.00 0.00 H new ATOM 0 HB2 LYS A 58 37.409 48.573 -40.037 1.00 0.00 H new ATOM 0 HB3 LYS A 58 38.094 48.733 -41.642 1.00 0.00 H new ATOM 0 HG2 LYS A 58 35.162 47.998 -41.343 1.00 0.00 H new ATOM 0 HG3 LYS A 58 35.652 49.669 -41.151 1.00 0.00 H new ATOM 0 HD2 LYS A 58 36.866 49.485 -43.403 1.00 0.00 H new ATOM 0 HD3 LYS A 58 36.146 47.899 -43.597 1.00 0.00 H new ATOM 0 HE2 LYS A 58 34.502 50.426 -43.071 1.00 0.00 H new ATOM 0 HE3 LYS A 58 34.837 49.822 -44.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 32.752 48.934 -43.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 33.860 47.648 -43.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 33.374 48.407 -42.505 1.00 0.00 H new ATOM 886 N ARG A 59 39.269 46.221 -39.734 1.00 0.00 N ATOM 887 CA ARG A 59 40.638 45.829 -39.419 1.00 0.00 C ATOM 888 C ARG A 59 40.905 44.378 -39.823 1.00 0.00 C ATOM 889 O ARG A 59 42.047 43.920 -39.788 1.00 0.00 O ATOM 890 CB ARG A 59 40.894 45.996 -37.920 1.00 0.00 C ATOM 891 CG ARG A 59 42.397 46.131 -37.667 1.00 0.00 C ATOM 892 CD ARG A 59 42.909 44.882 -36.949 1.00 0.00 C ATOM 893 NE ARG A 59 44.319 45.039 -36.605 1.00 0.00 N ATOM 894 CZ ARG A 59 45.090 43.991 -36.308 1.00 0.00 C ATOM 895 NH1 ARG A 59 44.603 42.776 -36.314 1.00 0.00 N ATOM 896 NH2 ARG A 59 46.346 44.180 -36.009 1.00 0.00 N ATOM 0 H ARG A 59 38.683 46.407 -38.920 1.00 0.00 H new ATOM 0 HA ARG A 59 41.312 46.473 -39.983 1.00 0.00 H new ATOM 0 HB2 ARG A 59 40.372 46.877 -37.548 1.00 0.00 H new ATOM 0 HB3 ARG A 59 40.499 45.138 -37.376 1.00 0.00 H new ATOM 0 HG2 ARG A 59 42.925 46.262 -38.612 1.00 0.00 H new ATOM 0 HG3 ARG A 59 42.597 47.017 -37.064 1.00 0.00 H new ATOM 0 HD2 ARG A 59 42.324 44.708 -36.046 1.00 0.00 H new ATOM 0 HD3 ARG A 59 42.778 44.008 -37.587 1.00 0.00 H new ATOM 0 HE ARG A 59 44.726 45.974 -36.591 1.00 0.00 H new ATOM 0 HH11 ARG A 59 43.622 42.621 -36.548 1.00 0.00 H new ATOM 0 HH12 ARG A 59 45.204 41.984 -36.085 1.00 0.00 H new ATOM 0 HH21 ARG A 59 46.732 45.124 -36.003 1.00 0.00 H new ATOM 0 HH22 ARG A 59 46.941 43.384 -35.781 1.00 0.00 H new ATOM 910 N GLU A 60 39.850 43.657 -40.203 1.00 0.00 N ATOM 911 CA GLU A 60 39.999 42.263 -40.603 1.00 0.00 C ATOM 912 C GLU A 60 39.497 42.055 -42.030 1.00 0.00 C ATOM 913 O GLU A 60 38.449 41.449 -42.247 1.00 0.00 O ATOM 914 CB GLU A 60 39.210 41.362 -39.651 1.00 0.00 C ATOM 915 CG GLU A 60 39.753 41.520 -38.230 1.00 0.00 C ATOM 916 CD GLU A 60 41.216 41.093 -38.180 1.00 0.00 C ATOM 917 OE1 GLU A 60 41.569 40.174 -38.901 1.00 0.00 O ATOM 918 OE2 GLU A 60 41.962 41.690 -37.422 1.00 0.00 O ATOM 0 H GLU A 60 38.895 44.012 -40.241 1.00 0.00 H new ATOM 0 HA GLU A 60 41.057 42.005 -40.561 1.00 0.00 H new ATOM 0 HB2 GLU A 60 38.152 41.624 -39.679 1.00 0.00 H new ATOM 0 HB3 GLU A 60 39.289 40.322 -39.968 1.00 0.00 H new ATOM 0 HG2 GLU A 60 39.657 42.557 -37.909 1.00 0.00 H new ATOM 0 HG3 GLU A 60 39.166 40.916 -37.538 1.00 0.00 H new ATOM 925 N PRO A 61 40.228 42.541 -42.998 1.00 0.00 N ATOM 926 CA PRO A 61 39.854 42.403 -44.437 1.00 0.00 C ATOM 927 C PRO A 61 39.873 40.947 -44.903 1.00 0.00 C ATOM 928 O PRO A 61 39.307 40.612 -45.943 1.00 0.00 O ATOM 929 CB PRO A 61 40.912 43.227 -45.177 1.00 0.00 C ATOM 930 CG PRO A 61 42.068 43.335 -44.240 1.00 0.00 C ATOM 931 CD PRO A 61 41.491 43.275 -42.827 1.00 0.00 C ATOM 0 HA PRO A 61 38.837 42.746 -44.625 1.00 0.00 H new ATOM 0 HB2 PRO A 61 41.206 42.741 -46.107 1.00 0.00 H new ATOM 0 HB3 PRO A 61 40.528 44.213 -45.440 1.00 0.00 H new ATOM 0 HG2 PRO A 61 42.777 42.523 -44.404 1.00 0.00 H new ATOM 0 HG3 PRO A 61 42.609 44.268 -44.398 1.00 0.00 H new ATOM 0 HD2 PRO A 61 42.164 42.760 -42.141 1.00 0.00 H new ATOM 0 HD3 PRO A 61 41.323 44.272 -42.420 1.00 0.00 H new ATOM 939 N LEU A 62 40.527 40.086 -44.126 1.00 0.00 N ATOM 940 CA LEU A 62 40.612 38.673 -44.470 1.00 0.00 C ATOM 941 C LEU A 62 39.217 38.067 -44.579 1.00 0.00 C ATOM 942 O LEU A 62 38.953 37.242 -45.454 1.00 0.00 O ATOM 943 CB LEU A 62 41.419 37.929 -43.400 1.00 0.00 C ATOM 944 CG LEU A 62 41.508 36.440 -43.749 1.00 0.00 C ATOM 945 CD1 LEU A 62 42.273 36.262 -45.063 1.00 0.00 C ATOM 946 CD2 LEU A 62 42.246 35.702 -42.629 1.00 0.00 C ATOM 0 H LEU A 62 41.002 40.342 -43.260 1.00 0.00 H new ATOM 0 HA LEU A 62 41.111 38.576 -45.434 1.00 0.00 H new ATOM 0 HB2 LEU A 62 42.420 38.354 -43.327 1.00 0.00 H new ATOM 0 HB3 LEU A 62 40.948 38.055 -42.425 1.00 0.00 H new ATOM 0 HG LEU A 62 40.503 36.033 -43.859 1.00 0.00 H new ATOM 0 HD11 LEU A 62 42.334 35.202 -45.308 1.00 0.00 H new ATOM 0 HD12 LEU A 62 41.752 36.789 -45.862 1.00 0.00 H new ATOM 0 HD13 LEU A 62 43.279 36.668 -44.956 1.00 0.00 H new ATOM 0 HD21 LEU A 62 42.312 34.642 -42.873 1.00 0.00 H new ATOM 0 HD22 LEU A 62 43.250 36.113 -42.523 1.00 0.00 H new ATOM 0 HD23 LEU A 62 41.703 35.825 -41.692 1.00 0.00 H new ATOM 958 N ASN A 63 38.327 38.482 -43.683 1.00 0.00 N ATOM 959 CA ASN A 63 36.960 37.975 -43.683 1.00 0.00 C ATOM 960 C ASN A 63 36.084 38.769 -44.650 1.00 0.00 C ATOM 961 O ASN A 63 35.024 38.300 -45.066 1.00 0.00 O ATOM 962 CB ASN A 63 36.373 38.064 -42.272 1.00 0.00 C ATOM 963 CG ASN A 63 35.603 39.370 -42.108 1.00 0.00 C ATOM 964 OD1 ASN A 63 34.309 39.380 -42.278 1.00 0.00 O flip ATOM 965 ND2 ASN A 63 36.196 40.408 -41.817 1.00 0.00 N flip ATOM 0 H ASN A 63 38.527 39.164 -42.952 1.00 0.00 H new ATOM 0 HA ASN A 63 36.982 36.935 -44.007 1.00 0.00 H new ATOM 0 HB2 ASN A 63 35.711 37.217 -42.091 1.00 0.00 H new ATOM 0 HB3 ASN A 63 37.172 38.008 -41.533 1.00 0.00 H new ATOM 0 HD21 ASN A 63 37.207 40.398 -41.685 1.00 0.00 H new ATOM 0 HD22 ASN A 63 35.676 41.279 -41.708 1.00 0.00 H new ATOM 972 N TYR A 64 36.528 39.972 -45.000 1.00 0.00 N ATOM 973 CA TYR A 64 35.771 40.819 -45.915 1.00 0.00 C ATOM 974 C TYR A 64 35.888 40.307 -47.347 1.00 0.00 C ATOM 975 O TYR A 64 34.936 40.380 -48.123 1.00 0.00 O ATOM 976 CB TYR A 64 36.287 42.257 -45.842 1.00 0.00 C ATOM 977 CG TYR A 64 35.383 43.159 -46.647 1.00 0.00 C ATOM 978 CD1 TYR A 64 34.234 43.703 -46.060 1.00 0.00 C ATOM 979 CD2 TYR A 64 35.693 43.452 -47.980 1.00 0.00 C ATOM 980 CE1 TYR A 64 33.395 44.539 -46.807 1.00 0.00 C ATOM 981 CE2 TYR A 64 34.855 44.289 -48.727 1.00 0.00 C ATOM 982 CZ TYR A 64 33.706 44.832 -48.140 1.00 0.00 C ATOM 983 OH TYR A 64 32.879 45.656 -48.876 1.00 0.00 O ATOM 0 H TYR A 64 37.401 40.380 -44.667 1.00 0.00 H new ATOM 0 HA TYR A 64 34.722 40.792 -45.619 1.00 0.00 H new ATOM 0 HB2 TYR A 64 36.320 42.590 -44.805 1.00 0.00 H new ATOM 0 HB3 TYR A 64 37.306 42.309 -46.226 1.00 0.00 H new ATOM 0 HD1 TYR A 64 33.995 43.478 -45.031 1.00 0.00 H new ATOM 0 HD2 TYR A 64 36.579 43.032 -48.433 1.00 0.00 H new ATOM 0 HE1 TYR A 64 32.508 44.958 -46.355 1.00 0.00 H new ATOM 0 HE2 TYR A 64 35.095 44.515 -49.755 1.00 0.00 H new ATOM 0 HH TYR A 64 33.240 45.757 -49.782 1.00 0.00 H new ATOM 993 N LEU A 65 37.063 39.790 -47.690 1.00 0.00 N ATOM 994 CA LEU A 65 37.294 39.269 -49.033 1.00 0.00 C ATOM 995 C LEU A 65 37.238 37.740 -49.028 1.00 0.00 C ATOM 996 O LEU A 65 37.415 37.112 -47.985 1.00 0.00 O ATOM 997 CB LEU A 65 38.662 39.733 -49.539 1.00 0.00 C ATOM 998 CG LEU A 65 38.691 41.262 -49.611 1.00 0.00 C ATOM 999 CD1 LEU A 65 40.115 41.730 -49.918 1.00 0.00 C ATOM 1000 CD2 LEU A 65 37.748 41.740 -50.720 1.00 0.00 C ATOM 0 H LEU A 65 37.864 39.721 -47.063 1.00 0.00 H new ATOM 0 HA LEU A 65 36.515 39.647 -49.695 1.00 0.00 H new ATOM 0 HB2 LEU A 65 39.448 39.375 -48.874 1.00 0.00 H new ATOM 0 HB3 LEU A 65 38.860 39.309 -50.523 1.00 0.00 H new ATOM 0 HG LEU A 65 38.368 41.677 -48.656 1.00 0.00 H new ATOM 0 HD11 LEU A 65 40.137 42.819 -49.970 1.00 0.00 H new ATOM 0 HD12 LEU A 65 40.787 41.390 -49.130 1.00 0.00 H new ATOM 0 HD13 LEU A 65 40.436 41.315 -50.873 1.00 0.00 H new ATOM 0 HD21 LEU A 65 37.769 42.829 -50.771 1.00 0.00 H new ATOM 0 HD22 LEU A 65 38.070 41.326 -51.675 1.00 0.00 H new ATOM 0 HD23 LEU A 65 36.733 41.406 -50.504 1.00 0.00 H new ATOM 1012 N PRO A 66 36.997 37.132 -50.165 1.00 0.00 N ATOM 1013 CA PRO A 66 36.921 35.644 -50.276 1.00 0.00 C ATOM 1014 C PRO A 66 38.153 34.960 -49.689 1.00 0.00 C ATOM 1015 O PRO A 66 39.280 35.412 -49.888 1.00 0.00 O ATOM 1016 CB PRO A 66 36.827 35.390 -51.783 1.00 0.00 C ATOM 1017 CG PRO A 66 36.285 36.651 -52.365 1.00 0.00 C ATOM 1018 CD PRO A 66 36.770 37.786 -51.465 1.00 0.00 C ATOM 0 HA PRO A 66 36.076 35.239 -49.719 1.00 0.00 H new ATOM 0 HB2 PRO A 66 37.804 35.152 -52.203 1.00 0.00 H new ATOM 0 HB3 PRO A 66 36.173 34.545 -51.999 1.00 0.00 H new ATOM 0 HG2 PRO A 66 36.637 36.789 -53.387 1.00 0.00 H new ATOM 0 HG3 PRO A 66 35.196 36.624 -52.403 1.00 0.00 H new ATOM 0 HD2 PRO A 66 37.684 38.239 -51.850 1.00 0.00 H new ATOM 0 HD3 PRO A 66 36.028 38.581 -51.389 1.00 0.00 H new