USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 744 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 82 GLN : amide:sc= 0.257 K(o=0.096,f=-3.2) USER MOD Set 1.2: A 85 LYS NZ :NH3+ -157:sc= -0.161 (180deg=-1.55!) USER MOD Set 2.1: A 49 LYS NZ :NH3+ -163:sc= 0.712 (180deg=0) USER MOD Set 2.2: A 72 TYR OH : rot 180:sc= 0.283 USER MOD Single : A 9 THR OG1 : rot -152:sc= 0.501 USER MOD Single : A 10 SER OG : rot 180:sc= 0.0301 USER MOD Single : A 12 GLN : amide:sc= -0.422 X(o=-0.42,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 175:sc= 0.431 (180deg=0.381) USER MOD Single : A 23 GLN : amide:sc= 0.462 K(o=0.46,f=-6.2!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -41:sc= 0.542 USER MOD Single : A 36 LYS NZ :NH3+ 140:sc= 0.625 (180deg=-0.117) USER MOD Single : A 37 GLN : amide:sc= -2.29! K(o=-2.3!,f=-0.84) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.59) USER MOD Single : A 44 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0554) USER MOD Single : A 45 LYS NZ :NH3+ 179:sc= 0.334 (180deg=0.323) USER MOD Single : A 48 GLN : amide:sc= -0.0357 X(o=-0.036,f=-0.44) USER MOD Single : A 56 SER OG : rot 180:sc=-0.00162 USER MOD Single : A 58 LYS NZ :NH3+ 167:sc= 0.914 (180deg=0.803) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 62 LYS NZ :NH3+ 166:sc= 0.301 (180deg=-0.166) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 70 GLN : amide:sc= -0.0798 X(o=-0.08,f=-0.08) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -115:sc= 0.142 USER MOD Single : A 77 ASN : amide:sc= -2.07! C(o=-2.1!,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 27 N ARG A 3 0.011 9.914 -7.623 1.00 2.41 N ATOM 28 CA ARG A 3 -0.415 8.537 -7.336 1.00 51.32 C ATOM 29 C ARG A 3 0.102 8.085 -5.959 1.00 41.11 C ATOM 30 O ARG A 3 1.299 8.172 -5.673 1.00 23.13 O ATOM 31 CB ARG A 3 0.042 7.536 -8.441 1.00 0.35 C ATOM 32 CG ARG A 3 -0.618 7.757 -9.826 1.00 20.42 C ATOM 33 CD ARG A 3 -0.210 6.694 -10.865 1.00 54.44 C ATOM 34 NE ARG A 3 -0.685 7.035 -12.221 1.00 72.22 N ATOM 35 CZ ARG A 3 -1.334 6.215 -13.067 1.00 70.41 C ATOM 36 NH1 ARG A 3 -1.623 4.959 -12.720 1.00 15.12 N ATOM 37 NH2 ARG A 3 -1.698 6.664 -14.262 1.00 5.03 N ATOM 0 HA ARG A 3 -1.505 8.535 -7.325 1.00 51.32 H new ATOM 0 HB2 ARG A 3 1.124 7.608 -8.553 1.00 0.35 H new ATOM 0 HB3 ARG A 3 -0.177 6.522 -8.107 1.00 0.35 H new ATOM 0 HG2 ARG A 3 -1.702 7.747 -9.711 1.00 20.42 H new ATOM 0 HG3 ARG A 3 -0.346 8.744 -10.199 1.00 20.42 H new ATOM 0 HD2 ARG A 3 0.875 6.595 -10.875 1.00 54.44 H new ATOM 0 HD3 ARG A 3 -0.616 5.726 -10.572 1.00 54.44 H new ATOM 0 HE ARG A 3 -0.503 7.984 -12.548 1.00 72.22 H new ATOM 0 HH11 ARG A 3 -1.351 4.608 -11.802 1.00 15.12 H new ATOM 0 HH12 ARG A 3 -2.116 4.350 -13.373 1.00 15.12 H new ATOM 0 HH21 ARG A 3 -1.485 7.624 -14.533 1.00 5.03 H new ATOM 0 HH22 ARG A 3 -2.190 6.049 -14.910 1.00 5.03 H new ATOM 51 N LEU A 4 -0.832 7.652 -5.111 1.00 43.41 N ATOM 52 CA LEU A 4 -0.560 7.090 -3.784 1.00 11.12 C ATOM 53 C LEU A 4 -0.967 5.607 -3.803 1.00 53.53 C ATOM 54 O LEU A 4 -2.094 5.298 -4.181 1.00 32.41 O ATOM 55 CB LEU A 4 -1.388 7.880 -2.729 1.00 34.12 C ATOM 56 CG LEU A 4 -1.263 7.418 -1.241 1.00 42.23 C ATOM 57 CD1 LEU A 4 0.170 7.620 -0.696 1.00 44.23 C ATOM 58 CD2 LEU A 4 -2.317 8.129 -0.360 1.00 12.33 C ATOM 0 H LEU A 4 -1.827 7.683 -5.333 1.00 43.41 H new ATOM 0 HA LEU A 4 0.496 7.169 -3.527 1.00 11.12 H new ATOM 0 HB2 LEU A 4 -1.095 8.929 -2.784 1.00 34.12 H new ATOM 0 HB3 LEU A 4 -2.439 7.827 -3.014 1.00 34.12 H new ATOM 0 HG LEU A 4 -1.463 6.347 -1.205 1.00 42.23 H new ATOM 0 HD11 LEU A 4 0.215 7.287 0.341 1.00 44.23 H new ATOM 0 HD12 LEU A 4 0.872 7.040 -1.295 1.00 44.23 H new ATOM 0 HD13 LEU A 4 0.434 8.676 -0.750 1.00 44.23 H new ATOM 0 HD21 LEU A 4 -2.214 7.794 0.672 1.00 12.33 H new ATOM 0 HD22 LEU A 4 -2.164 9.207 -0.409 1.00 12.33 H new ATOM 0 HD23 LEU A 4 -3.316 7.887 -0.722 1.00 12.33 H new ATOM 70 N VAL A 5 -0.060 4.695 -3.409 1.00 32.23 N ATOM 71 CA VAL A 5 -0.358 3.244 -3.389 1.00 74.32 C ATOM 72 C VAL A 5 -0.811 2.851 -1.982 1.00 42.22 C ATOM 73 O VAL A 5 -0.186 3.233 -1.010 1.00 5.34 O ATOM 74 CB VAL A 5 0.888 2.363 -3.812 1.00 62.01 C ATOM 75 CG1 VAL A 5 0.608 0.843 -3.665 1.00 13.30 C ATOM 76 CG2 VAL A 5 1.335 2.685 -5.254 1.00 54.10 C ATOM 0 H VAL A 5 0.883 4.932 -3.101 1.00 32.23 H new ATOM 0 HA VAL A 5 -1.146 3.055 -4.118 1.00 74.32 H new ATOM 0 HB VAL A 5 1.697 2.619 -3.128 1.00 62.01 H new ATOM 0 HG11 VAL A 5 1.491 0.280 -3.967 1.00 13.30 H new ATOM 0 HG12 VAL A 5 0.370 0.616 -2.626 1.00 13.30 H new ATOM 0 HG13 VAL A 5 -0.234 0.565 -4.299 1.00 13.30 H new ATOM 0 HG21 VAL A 5 2.192 2.065 -5.516 1.00 54.10 H new ATOM 0 HG22 VAL A 5 0.515 2.481 -5.943 1.00 54.10 H new ATOM 0 HG23 VAL A 5 1.614 3.737 -5.322 1.00 54.10 H new ATOM 86 N VAL A 6 -1.935 2.128 -1.887 1.00 74.33 N ATOM 87 CA VAL A 6 -2.439 1.566 -0.634 1.00 15.00 C ATOM 88 C VAL A 6 -2.425 0.034 -0.734 1.00 60.01 C ATOM 89 O VAL A 6 -3.180 -0.551 -1.511 1.00 13.53 O ATOM 90 CB VAL A 6 -3.893 2.065 -0.332 1.00 2.12 C ATOM 91 CG1 VAL A 6 -4.395 1.494 1.013 1.00 33.41 C ATOM 92 CG2 VAL A 6 -3.964 3.612 -0.363 1.00 70.21 C ATOM 0 H VAL A 6 -2.525 1.916 -2.691 1.00 74.33 H new ATOM 0 HA VAL A 6 -1.796 1.896 0.182 1.00 15.00 H new ATOM 0 HB VAL A 6 -4.556 1.695 -1.114 1.00 2.12 H new ATOM 0 HG11 VAL A 6 -5.406 1.852 1.205 1.00 33.41 H new ATOM 0 HG12 VAL A 6 -4.398 0.405 0.968 1.00 33.41 H new ATOM 0 HG13 VAL A 6 -3.735 1.822 1.816 1.00 33.41 H new ATOM 0 HG21 VAL A 6 -4.983 3.934 -0.150 1.00 70.21 H new ATOM 0 HG22 VAL A 6 -3.290 4.022 0.389 1.00 70.21 H new ATOM 0 HG23 VAL A 6 -3.669 3.970 -1.349 1.00 70.21 H new ATOM 102 N VAL A 7 -1.549 -0.594 0.038 1.00 33.51 N ATOM 103 CA VAL A 7 -1.401 -2.050 0.084 1.00 42.22 C ATOM 104 C VAL A 7 -2.269 -2.610 1.218 1.00 53.13 C ATOM 105 O VAL A 7 -2.078 -2.263 2.375 1.00 73.10 O ATOM 106 CB VAL A 7 0.103 -2.432 0.302 1.00 33.13 C ATOM 107 CG1 VAL A 7 0.311 -3.958 0.409 1.00 51.21 C ATOM 108 CG2 VAL A 7 0.985 -1.816 -0.810 1.00 4.52 C ATOM 0 H VAL A 7 -0.909 -0.102 0.662 1.00 33.51 H new ATOM 0 HA VAL A 7 -1.728 -2.481 -0.862 1.00 42.22 H new ATOM 0 HB VAL A 7 0.412 -2.011 1.259 1.00 33.13 H new ATOM 0 HG11 VAL A 7 1.369 -4.171 0.559 1.00 51.21 H new ATOM 0 HG12 VAL A 7 -0.261 -4.345 1.253 1.00 51.21 H new ATOM 0 HG13 VAL A 7 -0.029 -4.437 -0.509 1.00 51.21 H new ATOM 0 HG21 VAL A 7 2.026 -2.091 -0.643 1.00 4.52 H new ATOM 0 HG22 VAL A 7 0.662 -2.192 -1.781 1.00 4.52 H new ATOM 0 HG23 VAL A 7 0.889 -0.730 -0.791 1.00 4.52 H new ATOM 118 N VAL A 8 -3.215 -3.477 0.866 1.00 62.44 N ATOM 119 CA VAL A 8 -4.177 -4.077 1.807 1.00 22.11 C ATOM 120 C VAL A 8 -3.965 -5.592 1.840 1.00 3.44 C ATOM 121 O VAL A 8 -3.652 -6.194 0.813 1.00 72.23 O ATOM 122 CB VAL A 8 -5.651 -3.737 1.377 1.00 40.54 C ATOM 123 CG1 VAL A 8 -5.956 -2.226 1.572 1.00 71.34 C ATOM 124 CG2 VAL A 8 -5.912 -4.175 -0.088 1.00 15.45 C ATOM 0 H VAL A 8 -3.343 -3.792 -0.096 1.00 62.44 H new ATOM 0 HA VAL A 8 -4.014 -3.667 2.804 1.00 22.11 H new ATOM 0 HB VAL A 8 -6.328 -4.297 2.022 1.00 40.54 H new ATOM 0 HG11 VAL A 8 -6.982 -2.020 1.267 1.00 71.34 H new ATOM 0 HG12 VAL A 8 -5.830 -1.962 2.622 1.00 71.34 H new ATOM 0 HG13 VAL A 8 -5.271 -1.635 0.964 1.00 71.34 H new ATOM 0 HG21 VAL A 8 -6.938 -3.930 -0.364 1.00 15.45 H new ATOM 0 HG22 VAL A 8 -5.223 -3.653 -0.752 1.00 15.45 H new ATOM 0 HG23 VAL A 8 -5.759 -5.250 -0.179 1.00 15.45 H new ATOM 134 N THR A 9 -4.109 -6.205 3.020 1.00 33.43 N ATOM 135 CA THR A 9 -3.907 -7.654 3.201 1.00 54.33 C ATOM 136 C THR A 9 -5.236 -8.430 3.292 1.00 11.25 C ATOM 137 O THR A 9 -5.225 -9.651 3.459 1.00 73.43 O ATOM 138 CB THR A 9 -3.025 -7.911 4.468 1.00 63.04 C ATOM 139 OG1 THR A 9 -3.516 -7.119 5.566 1.00 41.24 O ATOM 140 CG2 THR A 9 -1.542 -7.579 4.206 1.00 51.42 C ATOM 0 H THR A 9 -4.368 -5.716 3.877 1.00 33.43 H new ATOM 0 HA THR A 9 -3.391 -8.028 2.317 1.00 54.33 H new ATOM 0 HB THR A 9 -3.090 -8.971 4.715 1.00 63.04 H new ATOM 0 HG1 THR A 9 -2.779 -6.920 6.181 1.00 41.24 H new ATOM 0 HG21 THR A 9 -0.961 -7.770 5.109 1.00 51.42 H new ATOM 0 HG22 THR A 9 -1.167 -8.203 3.395 1.00 51.42 H new ATOM 0 HG23 THR A 9 -1.448 -6.529 3.929 1.00 51.42 H new ATOM 148 N SER A 10 -6.375 -7.733 3.144 1.00 20.43 N ATOM 149 CA SER A 10 -7.711 -8.362 3.223 1.00 4.44 C ATOM 150 C SER A 10 -8.628 -7.789 2.137 1.00 43.14 C ATOM 151 O SER A 10 -8.484 -6.623 1.763 1.00 72.31 O ATOM 152 CB SER A 10 -8.336 -8.135 4.624 1.00 3.42 C ATOM 153 OG SER A 10 -9.643 -8.682 4.719 1.00 15.31 O ATOM 0 H SER A 10 -6.400 -6.729 2.968 1.00 20.43 H new ATOM 0 HA SER A 10 -7.600 -9.434 3.063 1.00 4.44 H new ATOM 0 HB2 SER A 10 -7.698 -8.587 5.383 1.00 3.42 H new ATOM 0 HB3 SER A 10 -8.374 -7.066 4.835 1.00 3.42 H new ATOM 0 HG SER A 10 -10.001 -8.520 5.617 1.00 15.31 H new ATOM 159 N GLU A 11 -9.547 -8.637 1.631 1.00 3.32 N ATOM 160 CA GLU A 11 -10.660 -8.219 0.750 1.00 1.10 C ATOM 161 C GLU A 11 -11.554 -7.187 1.447 1.00 34.10 C ATOM 162 O GLU A 11 -12.032 -6.249 0.806 1.00 2.21 O ATOM 163 CB GLU A 11 -11.503 -9.458 0.334 1.00 24.23 C ATOM 164 CG GLU A 11 -10.883 -10.296 -0.801 1.00 11.00 C ATOM 165 CD GLU A 11 -11.048 -9.641 -2.189 1.00 33.43 C ATOM 166 OE1 GLU A 11 -12.128 -9.799 -2.802 1.00 33.41 O ATOM 167 OE2 GLU A 11 -10.117 -8.967 -2.670 1.00 1.11 O ATOM 0 H GLU A 11 -9.539 -9.639 1.823 1.00 3.32 H new ATOM 0 HA GLU A 11 -10.235 -7.757 -0.141 1.00 1.10 H new ATOM 0 HB2 GLU A 11 -11.643 -10.097 1.206 1.00 24.23 H new ATOM 0 HB3 GLU A 11 -12.492 -9.122 0.023 1.00 24.23 H new ATOM 0 HG2 GLU A 11 -9.822 -10.445 -0.599 1.00 11.00 H new ATOM 0 HG3 GLU A 11 -11.347 -11.282 -0.813 1.00 11.00 H new ATOM 174 N GLN A 12 -11.742 -7.377 2.765 1.00 43.21 N ATOM 175 CA GLN A 12 -12.510 -6.456 3.622 1.00 1.50 C ATOM 176 C GLN A 12 -11.883 -5.044 3.587 1.00 0.15 C ATOM 177 O GLN A 12 -12.584 -4.046 3.432 1.00 54.41 O ATOM 178 CB GLN A 12 -12.539 -6.979 5.083 1.00 21.00 C ATOM 179 CG GLN A 12 -13.058 -8.427 5.257 1.00 20.35 C ATOM 180 CD GLN A 12 -13.058 -8.933 6.715 1.00 12.33 C ATOM 181 OE1 GLN A 12 -13.898 -9.746 7.101 1.00 61.14 O ATOM 182 NE2 GLN A 12 -12.102 -8.499 7.528 1.00 32.23 N ATOM 0 H GLN A 12 -11.363 -8.179 3.269 1.00 43.21 H new ATOM 0 HA GLN A 12 -13.531 -6.402 3.243 1.00 1.50 H new ATOM 0 HB2 GLN A 12 -11.531 -6.920 5.493 1.00 21.00 H new ATOM 0 HB3 GLN A 12 -13.164 -6.313 5.678 1.00 21.00 H new ATOM 0 HG2 GLN A 12 -14.073 -8.486 4.865 1.00 20.35 H new ATOM 0 HG3 GLN A 12 -12.444 -9.095 4.653 1.00 20.35 H new ATOM 0 HE21 GLN A 12 -11.414 -7.825 7.192 1.00 32.23 H new ATOM 0 HE22 GLN A 12 -12.056 -8.839 8.488 1.00 32.23 H new ATOM 191 N LEU A 13 -10.539 -5.004 3.704 1.00 24.24 N ATOM 192 CA LEU A 13 -9.745 -3.761 3.643 1.00 15.23 C ATOM 193 C LEU A 13 -9.722 -3.183 2.221 1.00 52.14 C ATOM 194 O LEU A 13 -9.756 -1.966 2.041 1.00 4.11 O ATOM 195 CB LEU A 13 -8.292 -4.037 4.127 1.00 43.13 C ATOM 196 CG LEU A 13 -8.137 -4.435 5.625 1.00 31.14 C ATOM 197 CD1 LEU A 13 -6.660 -4.741 5.974 1.00 13.31 C ATOM 198 CD2 LEU A 13 -8.725 -3.336 6.538 1.00 53.14 C ATOM 0 H LEU A 13 -9.971 -5.840 3.844 1.00 24.24 H new ATOM 0 HA LEU A 13 -10.214 -3.027 4.298 1.00 15.23 H new ATOM 0 HB2 LEU A 13 -7.871 -4.834 3.514 1.00 43.13 H new ATOM 0 HB3 LEU A 13 -7.693 -3.145 3.945 1.00 43.13 H new ATOM 0 HG LEU A 13 -8.702 -5.351 5.798 1.00 31.14 H new ATOM 0 HD11 LEU A 13 -6.584 -5.016 7.026 1.00 13.31 H new ATOM 0 HD12 LEU A 13 -6.304 -5.566 5.357 1.00 13.31 H new ATOM 0 HD13 LEU A 13 -6.051 -3.857 5.785 1.00 13.31 H new ATOM 0 HD21 LEU A 13 -8.609 -3.629 7.581 1.00 53.14 H new ATOM 0 HD22 LEU A 13 -8.198 -2.398 6.364 1.00 53.14 H new ATOM 0 HD23 LEU A 13 -9.784 -3.205 6.314 1.00 53.14 H new ATOM 210 N LYS A 14 -9.679 -4.081 1.221 1.00 52.33 N ATOM 211 CA LYS A 14 -9.538 -3.710 -0.191 1.00 74.44 C ATOM 212 C LYS A 14 -10.750 -2.906 -0.667 1.00 3.14 C ATOM 213 O LYS A 14 -10.613 -1.738 -1.031 1.00 33.12 O ATOM 214 CB LYS A 14 -9.346 -4.971 -1.074 1.00 52.41 C ATOM 215 CG LYS A 14 -9.131 -4.647 -2.568 1.00 71.22 C ATOM 216 CD LYS A 14 -9.011 -5.905 -3.448 1.00 50.01 C ATOM 217 CE LYS A 14 -8.948 -5.559 -4.938 1.00 22.23 C ATOM 218 NZ LYS A 14 -8.851 -6.767 -5.793 1.00 40.31 N ATOM 0 H LYS A 14 -9.742 -5.087 1.374 1.00 52.33 H new ATOM 0 HA LYS A 14 -8.651 -3.083 -0.287 1.00 74.44 H new ATOM 0 HB2 LYS A 14 -8.490 -5.536 -0.706 1.00 52.41 H new ATOM 0 HB3 LYS A 14 -10.220 -5.614 -0.971 1.00 52.41 H new ATOM 0 HG2 LYS A 14 -9.962 -4.039 -2.925 1.00 71.22 H new ATOM 0 HG3 LYS A 14 -8.228 -4.047 -2.677 1.00 71.22 H new ATOM 0 HD2 LYS A 14 -8.116 -6.460 -3.167 1.00 50.01 H new ATOM 0 HD3 LYS A 14 -9.863 -6.559 -3.263 1.00 50.01 H new ATOM 0 HE2 LYS A 14 -9.836 -4.991 -5.215 1.00 22.23 H new ATOM 0 HE3 LYS A 14 -8.088 -4.916 -5.123 1.00 22.23 H new ATOM 0 HZ1 LYS A 14 -8.811 -6.483 -6.793 1.00 40.31 H new ATOM 0 HZ2 LYS A 14 -7.990 -7.297 -5.549 1.00 40.31 H new ATOM 0 HZ3 LYS A 14 -9.684 -7.370 -5.638 1.00 40.31 H new ATOM 232 N GLU A 15 -11.933 -3.541 -0.585 1.00 22.03 N ATOM 233 CA GLU A 15 -13.206 -2.949 -1.022 1.00 42.13 C ATOM 234 C GLU A 15 -13.502 -1.664 -0.249 1.00 34.43 C ATOM 235 O GLU A 15 -14.063 -0.729 -0.806 1.00 30.35 O ATOM 236 CB GLU A 15 -14.356 -3.969 -0.849 1.00 12.02 C ATOM 237 CG GLU A 15 -14.631 -4.400 0.610 1.00 22.15 C ATOM 238 CD GLU A 15 -15.645 -5.542 0.725 1.00 21.45 C ATOM 239 OE1 GLU A 15 -16.863 -5.269 0.749 1.00 31.31 O ATOM 240 OE2 GLU A 15 -15.226 -6.718 0.785 1.00 44.20 O ATOM 0 H GLU A 15 -12.031 -4.485 -0.211 1.00 22.03 H new ATOM 0 HA GLU A 15 -13.124 -2.693 -2.078 1.00 42.13 H new ATOM 0 HB2 GLU A 15 -15.268 -3.540 -1.264 1.00 12.02 H new ATOM 0 HB3 GLU A 15 -14.126 -4.857 -1.437 1.00 12.02 H new ATOM 0 HG2 GLU A 15 -13.694 -4.708 1.073 1.00 22.15 H new ATOM 0 HG3 GLU A 15 -14.997 -3.541 1.172 1.00 22.15 H new ATOM 247 N GLU A 16 -13.065 -1.630 1.024 1.00 54.01 N ATOM 248 CA GLU A 16 -13.229 -0.480 1.912 1.00 41.44 C ATOM 249 C GLU A 16 -12.487 0.757 1.363 1.00 23.33 C ATOM 250 O GLU A 16 -13.109 1.792 1.106 1.00 34.24 O ATOM 251 CB GLU A 16 -12.700 -0.842 3.316 1.00 74.33 C ATOM 252 CG GLU A 16 -12.850 0.261 4.382 1.00 5.10 C ATOM 253 CD GLU A 16 -14.310 0.586 4.764 1.00 51.42 C ATOM 254 OE1 GLU A 16 -14.875 -0.106 5.637 1.00 41.25 O ATOM 255 OE2 GLU A 16 -14.897 1.536 4.203 1.00 32.23 O ATOM 0 H GLU A 16 -12.583 -2.414 1.463 1.00 54.01 H new ATOM 0 HA GLU A 16 -14.289 -0.231 1.972 1.00 41.44 H new ATOM 0 HB2 GLU A 16 -13.222 -1.734 3.664 1.00 74.33 H new ATOM 0 HB3 GLU A 16 -11.645 -1.102 3.232 1.00 74.33 H new ATOM 0 HG2 GLU A 16 -12.312 -0.043 5.280 1.00 5.10 H new ATOM 0 HG3 GLU A 16 -12.372 1.170 4.016 1.00 5.10 H new ATOM 262 N VAL A 17 -11.160 0.618 1.176 1.00 10.23 N ATOM 263 CA VAL A 17 -10.296 1.710 0.703 1.00 42.33 C ATOM 264 C VAL A 17 -10.681 2.168 -0.719 1.00 60.41 C ATOM 265 O VAL A 17 -10.642 3.352 -1.003 1.00 53.13 O ATOM 266 CB VAL A 17 -8.775 1.300 0.746 1.00 33.34 C ATOM 267 CG1 VAL A 17 -7.866 2.402 0.148 1.00 75.45 C ATOM 268 CG2 VAL A 17 -8.323 0.951 2.190 1.00 64.21 C ATOM 0 H VAL A 17 -10.660 -0.254 1.349 1.00 10.23 H new ATOM 0 HA VAL A 17 -10.448 2.548 1.383 1.00 42.33 H new ATOM 0 HB VAL A 17 -8.671 0.408 0.129 1.00 33.34 H new ATOM 0 HG11 VAL A 17 -6.825 2.081 0.196 1.00 75.45 H new ATOM 0 HG12 VAL A 17 -8.144 2.578 -0.891 1.00 75.45 H new ATOM 0 HG13 VAL A 17 -7.988 3.323 0.718 1.00 75.45 H new ATOM 0 HG21 VAL A 17 -7.269 0.673 2.184 1.00 64.21 H new ATOM 0 HG22 VAL A 17 -8.466 1.818 2.835 1.00 64.21 H new ATOM 0 HG23 VAL A 17 -8.916 0.117 2.566 1.00 64.21 H new ATOM 278 N ARG A 18 -11.055 1.222 -1.599 1.00 32.30 N ATOM 279 CA ARG A 18 -11.469 1.548 -2.982 1.00 12.33 C ATOM 280 C ARG A 18 -12.834 2.268 -3.009 1.00 72.43 C ATOM 281 O ARG A 18 -13.062 3.139 -3.851 1.00 61.54 O ATOM 282 CB ARG A 18 -11.521 0.270 -3.857 1.00 13.30 C ATOM 283 CG ARG A 18 -10.202 -0.531 -3.911 1.00 72.51 C ATOM 284 CD ARG A 18 -10.198 -1.611 -4.999 1.00 61.03 C ATOM 285 NE ARG A 18 -11.349 -2.538 -4.930 1.00 2.23 N ATOM 286 CZ ARG A 18 -12.139 -2.864 -5.970 1.00 53.01 C ATOM 287 NH1 ARG A 18 -11.931 -2.344 -7.177 1.00 13.45 N ATOM 288 NH2 ARG A 18 -13.127 -3.727 -5.807 1.00 25.11 N ATOM 0 H ARG A 18 -11.080 0.226 -1.381 1.00 32.30 H new ATOM 0 HA ARG A 18 -10.722 2.226 -3.395 1.00 12.33 H new ATOM 0 HB2 ARG A 18 -12.310 -0.381 -3.479 1.00 13.30 H new ATOM 0 HB3 ARG A 18 -11.800 0.553 -4.872 1.00 13.30 H new ATOM 0 HG2 ARG A 18 -9.374 0.156 -4.086 1.00 72.51 H new ATOM 0 HG3 ARG A 18 -10.028 -0.999 -2.942 1.00 72.51 H new ATOM 0 HD2 ARG A 18 -10.192 -1.128 -5.976 1.00 61.03 H new ATOM 0 HD3 ARG A 18 -9.276 -2.187 -4.922 1.00 61.03 H new ATOM 0 HE ARG A 18 -11.560 -2.962 -4.027 1.00 2.23 H new ATOM 0 HH11 ARG A 18 -11.164 -1.688 -7.324 1.00 13.45 H new ATOM 0 HH12 ARG A 18 -12.539 -2.601 -7.955 1.00 13.45 H new ATOM 0 HH21 ARG A 18 -13.292 -4.147 -4.892 1.00 25.11 H new ATOM 0 HH22 ARG A 18 -13.725 -3.973 -6.596 1.00 25.11 H new ATOM 302 N LYS A 19 -13.733 1.891 -2.072 1.00 74.43 N ATOM 303 CA LYS A 19 -15.087 2.474 -1.966 1.00 74.25 C ATOM 304 C LYS A 19 -14.989 3.948 -1.554 1.00 32.53 C ATOM 305 O LYS A 19 -15.627 4.822 -2.153 1.00 10.13 O ATOM 306 CB LYS A 19 -15.932 1.683 -0.927 1.00 40.54 C ATOM 307 CG LYS A 19 -17.442 2.005 -0.919 1.00 74.21 C ATOM 308 CD LYS A 19 -18.155 1.528 -2.204 1.00 11.41 C ATOM 309 CE LYS A 19 -19.664 1.810 -2.179 1.00 34.20 C ATOM 310 NZ LYS A 19 -20.338 1.294 -3.398 1.00 42.31 N ATOM 0 H LYS A 19 -13.540 1.176 -1.371 1.00 74.43 H new ATOM 0 HA LYS A 19 -15.577 2.409 -2.937 1.00 74.25 H new ATOM 0 HB2 LYS A 19 -15.806 0.617 -1.117 1.00 40.54 H new ATOM 0 HB3 LYS A 19 -15.531 1.879 0.067 1.00 40.54 H new ATOM 0 HG2 LYS A 19 -17.906 1.533 -0.053 1.00 74.21 H new ATOM 0 HG3 LYS A 19 -17.580 3.081 -0.808 1.00 74.21 H new ATOM 0 HD2 LYS A 19 -17.710 2.023 -3.067 1.00 11.41 H new ATOM 0 HD3 LYS A 19 -17.991 0.458 -2.331 1.00 11.41 H new ATOM 0 HE2 LYS A 19 -20.106 1.349 -1.296 1.00 34.20 H new ATOM 0 HE3 LYS A 19 -19.833 2.884 -2.096 1.00 34.20 H new ATOM 0 HZ1 LYS A 19 -21.356 1.502 -3.347 1.00 42.31 H new ATOM 0 HZ2 LYS A 19 -19.933 1.752 -4.239 1.00 42.31 H new ATOM 0 HZ3 LYS A 19 -20.198 0.266 -3.463 1.00 42.31 H new ATOM 324 N LYS A 20 -14.157 4.193 -0.532 1.00 43.12 N ATOM 325 CA LYS A 20 -13.889 5.529 0.003 1.00 55.45 C ATOM 326 C LYS A 20 -13.046 6.353 -0.991 1.00 1.20 C ATOM 327 O LYS A 20 -13.367 7.502 -1.287 1.00 75.11 O ATOM 328 CB LYS A 20 -13.143 5.394 1.353 1.00 43.11 C ATOM 329 CG LYS A 20 -13.936 4.655 2.459 1.00 30.44 C ATOM 330 CD LYS A 20 -13.098 4.430 3.742 1.00 13.54 C ATOM 331 CE LYS A 20 -12.635 5.740 4.398 1.00 45.20 C ATOM 332 NZ LYS A 20 -13.775 6.628 4.771 1.00 75.12 N ATOM 0 H LYS A 20 -13.645 3.455 -0.049 1.00 43.12 H new ATOM 0 HA LYS A 20 -14.834 6.049 0.157 1.00 55.45 H new ATOM 0 HB2 LYS A 20 -12.205 4.866 1.183 1.00 43.11 H new ATOM 0 HB3 LYS A 20 -12.887 6.391 1.713 1.00 43.11 H new ATOM 0 HG2 LYS A 20 -14.828 5.230 2.708 1.00 30.44 H new ATOM 0 HG3 LYS A 20 -14.274 3.692 2.077 1.00 30.44 H new ATOM 0 HD2 LYS A 20 -13.689 3.861 4.459 1.00 13.54 H new ATOM 0 HD3 LYS A 20 -12.225 3.825 3.497 1.00 13.54 H new ATOM 0 HE2 LYS A 20 -12.052 5.509 5.290 1.00 45.20 H new ATOM 0 HE3 LYS A 20 -11.974 6.271 3.713 1.00 45.20 H new ATOM 0 HZ1 LYS A 20 -13.415 7.458 5.285 1.00 75.12 H new ATOM 0 HZ2 LYS A 20 -14.268 6.941 3.910 1.00 75.12 H new ATOM 0 HZ3 LYS A 20 -14.438 6.105 5.379 1.00 75.12 H new ATOM 346 N PHE A 21 -11.984 5.721 -1.525 1.00 32.52 N ATOM 347 CA PHE A 21 -10.943 6.376 -2.348 1.00 51.45 C ATOM 348 C PHE A 21 -10.712 5.572 -3.651 1.00 21.12 C ATOM 349 O PHE A 21 -9.928 4.605 -3.662 1.00 22.33 O ATOM 350 CB PHE A 21 -9.597 6.484 -1.575 1.00 5.21 C ATOM 351 CG PHE A 21 -9.697 7.110 -0.192 1.00 21.42 C ATOM 352 CD1 PHE A 21 -9.898 8.481 -0.040 1.00 32.41 C ATOM 353 CD2 PHE A 21 -9.592 6.329 0.961 1.00 74.11 C ATOM 354 CE1 PHE A 21 -9.990 9.045 1.219 1.00 73.35 C ATOM 355 CE2 PHE A 21 -9.687 6.899 2.210 1.00 15.14 C ATOM 356 CZ PHE A 21 -9.881 8.249 2.340 1.00 3.14 C ATOM 0 H PHE A 21 -11.820 4.723 -1.396 1.00 32.52 H new ATOM 0 HA PHE A 21 -11.293 7.381 -2.586 1.00 51.45 H new ATOM 0 HB2 PHE A 21 -9.172 5.485 -1.475 1.00 5.21 H new ATOM 0 HB3 PHE A 21 -8.898 7.070 -2.173 1.00 5.21 H new ATOM 0 HD1 PHE A 21 -9.983 9.109 -0.915 1.00 32.41 H new ATOM 0 HD2 PHE A 21 -9.434 5.264 0.871 1.00 74.11 H new ATOM 0 HE1 PHE A 21 -10.147 10.108 1.325 1.00 73.35 H new ATOM 0 HE2 PHE A 21 -9.608 6.280 3.091 1.00 15.14 H new ATOM 0 HZ PHE A 21 -9.949 8.691 3.323 1.00 3.14 H new ATOM 366 N PRO A 22 -11.405 5.926 -4.769 1.00 4.32 N ATOM 367 CA PRO A 22 -11.224 5.256 -6.080 1.00 53.25 C ATOM 368 C PRO A 22 -9.986 5.777 -6.865 1.00 43.10 C ATOM 369 O PRO A 22 -9.668 5.250 -7.940 1.00 3.43 O ATOM 370 CB PRO A 22 -12.562 5.572 -6.826 1.00 0.24 C ATOM 371 CG PRO A 22 -13.395 6.401 -5.866 1.00 22.12 C ATOM 372 CD PRO A 22 -12.432 6.987 -4.866 1.00 60.30 C ATOM 0 HA PRO A 22 -11.028 4.189 -5.975 1.00 53.25 H new ATOM 0 HB2 PRO A 22 -12.373 6.119 -7.750 1.00 0.24 H new ATOM 0 HB3 PRO A 22 -13.082 4.654 -7.100 1.00 0.24 H new ATOM 0 HG2 PRO A 22 -13.931 7.188 -6.396 1.00 22.12 H new ATOM 0 HG3 PRO A 22 -14.144 5.784 -5.369 1.00 22.12 H new ATOM 0 HD2 PRO A 22 -12.011 7.932 -5.210 1.00 60.30 H new ATOM 0 HD3 PRO A 22 -12.909 7.182 -3.906 1.00 60.30 H new ATOM 380 N GLN A 23 -9.298 6.810 -6.324 1.00 53.32 N ATOM 381 CA GLN A 23 -8.144 7.450 -6.999 1.00 44.01 C ATOM 382 C GLN A 23 -6.830 6.712 -6.695 1.00 21.13 C ATOM 383 O GLN A 23 -5.940 6.668 -7.544 1.00 34.42 O ATOM 384 CB GLN A 23 -8.000 8.955 -6.590 1.00 30.53 C ATOM 385 CG GLN A 23 -7.484 9.237 -5.142 1.00 33.50 C ATOM 386 CD GLN A 23 -8.556 9.262 -4.045 1.00 33.03 C ATOM 387 OE1 GLN A 23 -9.622 8.680 -4.173 1.00 70.52 O ATOM 388 NE2 GLN A 23 -8.247 9.903 -2.928 1.00 4.33 N ATOM 0 H GLN A 23 -9.524 7.220 -5.418 1.00 53.32 H new ATOM 0 HA GLN A 23 -8.341 7.393 -8.070 1.00 44.01 H new ATOM 0 HB2 GLN A 23 -7.321 9.437 -7.294 1.00 30.53 H new ATOM 0 HB3 GLN A 23 -8.972 9.435 -6.705 1.00 30.53 H new ATOM 0 HG2 GLN A 23 -6.746 8.477 -4.885 1.00 33.50 H new ATOM 0 HG3 GLN A 23 -6.967 10.197 -5.141 1.00 33.50 H new ATOM 0 HE21 GLN A 23 -7.350 10.381 -2.846 1.00 4.33 H new ATOM 0 HE22 GLN A 23 -8.906 9.918 -2.150 1.00 4.33 H new ATOM 397 N VAL A 24 -6.732 6.126 -5.486 1.00 45.13 N ATOM 398 CA VAL A 24 -5.476 5.548 -4.970 1.00 10.15 C ATOM 399 C VAL A 24 -5.227 4.140 -5.543 1.00 34.23 C ATOM 400 O VAL A 24 -6.171 3.371 -5.756 1.00 21.31 O ATOM 401 CB VAL A 24 -5.446 5.513 -3.391 1.00 63.44 C ATOM 402 CG1 VAL A 24 -5.435 6.943 -2.791 1.00 63.22 C ATOM 403 CG2 VAL A 24 -6.615 4.680 -2.811 1.00 42.21 C ATOM 0 H VAL A 24 -7.518 6.040 -4.842 1.00 45.13 H new ATOM 0 HA VAL A 24 -4.671 6.202 -5.304 1.00 10.15 H new ATOM 0 HB VAL A 24 -4.517 5.021 -3.103 1.00 63.44 H new ATOM 0 HG11 VAL A 24 -5.414 6.881 -1.703 1.00 63.22 H new ATOM 0 HG12 VAL A 24 -4.552 7.478 -3.141 1.00 63.22 H new ATOM 0 HG13 VAL A 24 -6.331 7.477 -3.107 1.00 63.22 H new ATOM 0 HG21 VAL A 24 -6.558 4.681 -1.723 1.00 42.21 H new ATOM 0 HG22 VAL A 24 -7.563 5.116 -3.125 1.00 42.21 H new ATOM 0 HG23 VAL A 24 -6.548 3.655 -3.177 1.00 42.21 H new ATOM 413 N GLU A 25 -3.945 3.825 -5.807 1.00 52.33 N ATOM 414 CA GLU A 25 -3.537 2.540 -6.393 1.00 61.55 C ATOM 415 C GLU A 25 -3.573 1.458 -5.303 1.00 11.02 C ATOM 416 O GLU A 25 -2.618 1.300 -4.550 1.00 51.21 O ATOM 417 CB GLU A 25 -2.094 2.655 -6.990 1.00 32.42 C ATOM 418 CG GLU A 25 -1.809 3.938 -7.803 1.00 43.24 C ATOM 419 CD GLU A 25 -2.666 4.083 -9.074 1.00 35.34 C ATOM 420 OE1 GLU A 25 -3.811 4.562 -8.979 1.00 24.22 O ATOM 421 OE2 GLU A 25 -2.191 3.722 -10.169 1.00 14.11 O ATOM 0 H GLU A 25 -3.166 4.456 -5.619 1.00 52.33 H new ATOM 0 HA GLU A 25 -4.223 2.271 -7.196 1.00 61.55 H new ATOM 0 HB2 GLU A 25 -1.376 2.598 -6.172 1.00 32.42 H new ATOM 0 HB3 GLU A 25 -1.916 1.792 -7.632 1.00 32.42 H new ATOM 0 HG2 GLU A 25 -1.978 4.805 -7.164 1.00 43.24 H new ATOM 0 HG3 GLU A 25 -0.756 3.950 -8.085 1.00 43.24 H new ATOM 428 N VAL A 26 -4.668 0.705 -5.241 1.00 30.24 N ATOM 429 CA VAL A 26 -4.867 -0.321 -4.210 1.00 45.55 C ATOM 430 C VAL A 26 -4.364 -1.665 -4.741 1.00 52.41 C ATOM 431 O VAL A 26 -4.640 -2.030 -5.887 1.00 61.03 O ATOM 432 CB VAL A 26 -6.370 -0.416 -3.752 1.00 61.41 C ATOM 433 CG1 VAL A 26 -6.562 -1.481 -2.641 1.00 43.42 C ATOM 434 CG2 VAL A 26 -6.879 0.969 -3.290 1.00 63.31 C ATOM 0 H VAL A 26 -5.443 0.785 -5.900 1.00 30.24 H new ATOM 0 HA VAL A 26 -4.295 -0.041 -3.325 1.00 45.55 H new ATOM 0 HB VAL A 26 -6.964 -0.735 -4.609 1.00 61.41 H new ATOM 0 HG11 VAL A 26 -7.612 -1.518 -2.350 1.00 43.42 H new ATOM 0 HG12 VAL A 26 -6.254 -2.457 -3.016 1.00 43.42 H new ATOM 0 HG13 VAL A 26 -5.955 -1.217 -1.775 1.00 43.42 H new ATOM 0 HG21 VAL A 26 -7.920 0.888 -2.976 1.00 63.31 H new ATOM 0 HG22 VAL A 26 -6.274 1.319 -2.453 1.00 63.31 H new ATOM 0 HG23 VAL A 26 -6.803 1.678 -4.114 1.00 63.31 H new ATOM 444 N ARG A 27 -3.612 -2.382 -3.907 1.00 1.11 N ATOM 445 CA ARG A 27 -3.009 -3.676 -4.247 1.00 14.51 C ATOM 446 C ARG A 27 -3.277 -4.661 -3.104 1.00 50.44 C ATOM 447 O ARG A 27 -2.883 -4.406 -1.964 1.00 12.12 O ATOM 448 CB ARG A 27 -1.472 -3.502 -4.508 1.00 34.43 C ATOM 449 CG ARG A 27 -1.073 -3.300 -5.995 1.00 62.54 C ATOM 450 CD ARG A 27 -1.361 -4.561 -6.835 1.00 63.54 C ATOM 451 NE ARG A 27 -0.797 -4.502 -8.196 1.00 52.42 N ATOM 452 CZ ARG A 27 -0.737 -5.546 -9.051 1.00 73.11 C ATOM 453 NH1 ARG A 27 -1.210 -6.745 -8.705 1.00 64.51 N ATOM 454 NH2 ARG A 27 -0.185 -5.387 -10.243 1.00 21.50 N ATOM 0 H ARG A 27 -3.399 -2.076 -2.957 1.00 1.11 H new ATOM 0 HA ARG A 27 -3.453 -4.070 -5.161 1.00 14.51 H new ATOM 0 HB2 ARG A 27 -1.117 -2.646 -3.934 1.00 34.43 H new ATOM 0 HB3 ARG A 27 -0.953 -4.381 -4.125 1.00 34.43 H new ATOM 0 HG2 ARG A 27 -1.622 -2.454 -6.408 1.00 62.54 H new ATOM 0 HG3 ARG A 27 -0.013 -3.054 -6.058 1.00 62.54 H new ATOM 0 HD2 ARG A 27 -0.956 -5.432 -6.320 1.00 63.54 H new ATOM 0 HD3 ARG A 27 -2.439 -4.704 -6.903 1.00 63.54 H new ATOM 0 HE ARG A 27 -0.425 -3.608 -8.515 1.00 52.42 H new ATOM 0 HH11 ARG A 27 -1.624 -6.883 -7.783 1.00 64.51 H new ATOM 0 HH12 ARG A 27 -1.157 -7.523 -9.362 1.00 64.51 H new ATOM 0 HH21 ARG A 27 0.193 -4.479 -10.513 1.00 21.50 H new ATOM 0 HH22 ARG A 27 -0.137 -6.173 -10.892 1.00 21.50 H new ATOM 468 N LEU A 28 -3.956 -5.776 -3.415 1.00 33.01 N ATOM 469 CA LEU A 28 -4.236 -6.838 -2.444 1.00 45.10 C ATOM 470 C LEU A 28 -3.022 -7.765 -2.343 1.00 60.24 C ATOM 471 O LEU A 28 -2.490 -8.209 -3.371 1.00 4.33 O ATOM 472 CB LEU A 28 -5.488 -7.660 -2.846 1.00 30.14 C ATOM 473 CG LEU A 28 -5.863 -8.818 -1.857 1.00 1.03 C ATOM 474 CD1 LEU A 28 -6.328 -8.265 -0.494 1.00 51.22 C ATOM 475 CD2 LEU A 28 -6.902 -9.777 -2.468 1.00 22.21 C ATOM 0 H LEU A 28 -4.325 -5.964 -4.347 1.00 33.01 H new ATOM 0 HA LEU A 28 -4.435 -6.374 -1.478 1.00 45.10 H new ATOM 0 HB2 LEU A 28 -6.338 -6.983 -2.929 1.00 30.14 H new ATOM 0 HB3 LEU A 28 -5.323 -8.086 -3.835 1.00 30.14 H new ATOM 0 HG LEU A 28 -4.958 -9.400 -1.681 1.00 1.03 H new ATOM 0 HD11 LEU A 28 -6.580 -9.093 0.168 1.00 51.22 H new ATOM 0 HD12 LEU A 28 -5.527 -7.675 -0.048 1.00 51.22 H new ATOM 0 HD13 LEU A 28 -7.206 -7.635 -0.637 1.00 51.22 H new ATOM 0 HD21 LEU A 28 -7.135 -10.565 -1.752 1.00 22.21 H new ATOM 0 HD22 LEU A 28 -7.810 -9.224 -2.708 1.00 22.21 H new ATOM 0 HD23 LEU A 28 -6.497 -10.221 -3.377 1.00 22.21 H new ATOM 487 N VAL A 29 -2.588 -8.043 -1.106 1.00 4.21 N ATOM 488 CA VAL A 29 -1.472 -8.935 -0.817 1.00 53.33 C ATOM 489 C VAL A 29 -1.924 -9.983 0.200 1.00 24.54 C ATOM 490 O VAL A 29 -2.130 -9.675 1.379 1.00 73.03 O ATOM 491 CB VAL A 29 -0.207 -8.150 -0.289 1.00 14.22 C ATOM 492 CG1 VAL A 29 0.963 -9.102 0.056 1.00 13.14 C ATOM 493 CG2 VAL A 29 0.253 -7.078 -1.304 1.00 2.44 C ATOM 0 H VAL A 29 -3.014 -7.645 -0.269 1.00 4.21 H new ATOM 0 HA VAL A 29 -1.171 -9.424 -1.743 1.00 53.33 H new ATOM 0 HB VAL A 29 -0.510 -7.648 0.630 1.00 14.22 H new ATOM 0 HG11 VAL A 29 1.812 -8.520 0.415 1.00 13.14 H new ATOM 0 HG12 VAL A 29 0.648 -9.800 0.832 1.00 13.14 H new ATOM 0 HG13 VAL A 29 1.255 -9.658 -0.835 1.00 13.14 H new ATOM 0 HG21 VAL A 29 1.125 -6.555 -0.911 1.00 2.44 H new ATOM 0 HG22 VAL A 29 0.512 -7.558 -2.248 1.00 2.44 H new ATOM 0 HG23 VAL A 29 -0.554 -6.364 -1.470 1.00 2.44 H new ATOM 503 N THR A 30 -2.144 -11.205 -0.285 1.00 30.41 N ATOM 504 CA THR A 30 -2.429 -12.377 0.557 1.00 22.23 C ATOM 505 C THR A 30 -1.190 -13.291 0.599 1.00 51.51 C ATOM 506 O THR A 30 -0.955 -14.000 1.589 1.00 62.53 O ATOM 507 CB THR A 30 -3.673 -13.159 0.021 1.00 21.14 C ATOM 508 OG1 THR A 30 -3.458 -13.524 -1.349 1.00 3.45 O ATOM 509 CG2 THR A 30 -4.971 -12.328 0.136 1.00 4.12 C ATOM 0 H THR A 30 -2.130 -11.416 -1.283 1.00 30.41 H new ATOM 0 HA THR A 30 -2.660 -12.039 1.567 1.00 22.23 H new ATOM 0 HB THR A 30 -3.793 -14.052 0.635 1.00 21.14 H new ATOM 0 HG1 THR A 30 -4.238 -14.015 -1.683 1.00 3.45 H new ATOM 0 HG21 THR A 30 -5.810 -12.909 -0.247 1.00 4.12 H new ATOM 0 HG22 THR A 30 -5.151 -12.077 1.181 1.00 4.12 H new ATOM 0 HG23 THR A 30 -4.869 -11.411 -0.445 1.00 4.12 H new ATOM 517 N THR A 31 -0.398 -13.255 -0.492 1.00 50.32 N ATOM 518 CA THR A 31 0.828 -14.057 -0.661 1.00 75.42 C ATOM 519 C THR A 31 2.013 -13.135 -1.027 1.00 53.25 C ATOM 520 O THR A 31 1.808 -11.959 -1.359 1.00 20.43 O ATOM 521 CB THR A 31 0.632 -15.138 -1.780 1.00 33.41 C ATOM 522 OG1 THR A 31 0.381 -14.507 -3.042 1.00 75.03 O ATOM 523 CG2 THR A 31 -0.524 -16.115 -1.463 1.00 33.43 C ATOM 0 H THR A 31 -0.597 -12.657 -1.294 1.00 50.32 H new ATOM 0 HA THR A 31 1.041 -14.565 0.280 1.00 75.42 H new ATOM 0 HB THR A 31 1.556 -15.715 -1.824 1.00 33.41 H new ATOM 0 HG1 THR A 31 -0.221 -13.744 -2.912 1.00 75.03 H new ATOM 0 HG21 THR A 31 -0.617 -16.843 -2.269 1.00 33.43 H new ATOM 0 HG22 THR A 31 -0.315 -16.634 -0.528 1.00 33.43 H new ATOM 0 HG23 THR A 31 -1.456 -15.558 -1.368 1.00 33.43 H new ATOM 531 N GLU A 32 3.242 -13.692 -0.991 1.00 34.10 N ATOM 532 CA GLU A 32 4.479 -12.948 -1.310 1.00 71.54 C ATOM 533 C GLU A 32 4.486 -12.486 -2.778 1.00 55.31 C ATOM 534 O GLU A 32 5.018 -11.418 -3.090 1.00 22.11 O ATOM 535 CB GLU A 32 5.725 -13.829 -1.045 1.00 25.34 C ATOM 536 CG GLU A 32 7.070 -13.065 -1.170 1.00 21.12 C ATOM 537 CD GLU A 32 8.288 -13.986 -1.303 1.00 64.44 C ATOM 538 OE1 GLU A 32 8.600 -14.720 -0.346 1.00 62.12 O ATOM 539 OE2 GLU A 32 8.924 -13.999 -2.376 1.00 2.14 O ATOM 0 H GLU A 32 3.405 -14.667 -0.741 1.00 34.10 H new ATOM 0 HA GLU A 32 4.511 -12.070 -0.665 1.00 71.54 H new ATOM 0 HB2 GLU A 32 5.651 -14.255 -0.044 1.00 25.34 H new ATOM 0 HB3 GLU A 32 5.725 -14.663 -1.747 1.00 25.34 H new ATOM 0 HG2 GLU A 32 7.026 -12.407 -2.038 1.00 21.12 H new ATOM 0 HG3 GLU A 32 7.200 -12.429 -0.295 1.00 21.12 H new ATOM 546 N GLU A 33 3.880 -13.306 -3.664 1.00 12.21 N ATOM 547 CA GLU A 33 3.786 -13.020 -5.110 1.00 25.41 C ATOM 548 C GLU A 33 3.065 -11.690 -5.388 1.00 72.44 C ATOM 549 O GLU A 33 3.412 -10.971 -6.337 1.00 62.24 O ATOM 550 CB GLU A 33 3.071 -14.176 -5.854 1.00 30.34 C ATOM 551 CG GLU A 33 3.807 -15.527 -5.771 1.00 4.22 C ATOM 552 CD GLU A 33 5.261 -15.452 -6.270 1.00 52.02 C ATOM 553 OE1 GLU A 33 5.478 -15.267 -7.488 1.00 73.42 O ATOM 554 OE2 GLU A 33 6.195 -15.540 -5.446 1.00 40.33 O ATOM 0 H GLU A 33 3.442 -14.187 -3.395 1.00 12.21 H new ATOM 0 HA GLU A 33 4.806 -12.932 -5.484 1.00 25.41 H new ATOM 0 HB2 GLU A 33 2.069 -14.294 -5.442 1.00 30.34 H new ATOM 0 HB3 GLU A 33 2.954 -13.902 -6.902 1.00 30.34 H new ATOM 0 HG2 GLU A 33 3.801 -15.875 -4.738 1.00 4.22 H new ATOM 0 HG3 GLU A 33 3.264 -16.267 -6.360 1.00 4.22 H new ATOM 561 N ASP A 34 2.084 -11.370 -4.534 1.00 54.53 N ATOM 562 CA ASP A 34 1.342 -10.112 -4.606 1.00 11.54 C ATOM 563 C ASP A 34 2.231 -8.934 -4.183 1.00 21.34 C ATOM 564 O ASP A 34 2.203 -7.884 -4.813 1.00 50.35 O ATOM 565 CB ASP A 34 0.104 -10.157 -3.706 1.00 4.40 C ATOM 566 CG ASP A 34 -0.924 -11.232 -4.079 1.00 43.33 C ATOM 567 OD1 ASP A 34 -1.396 -11.239 -5.239 1.00 61.43 O ATOM 568 OD2 ASP A 34 -1.258 -12.077 -3.215 1.00 23.21 O ATOM 0 H ASP A 34 1.785 -11.980 -3.773 1.00 54.53 H new ATOM 0 HA ASP A 34 1.027 -9.973 -5.640 1.00 11.54 H new ATOM 0 HB2 ASP A 34 0.426 -10.323 -2.678 1.00 4.40 H new ATOM 0 HB3 ASP A 34 -0.384 -9.183 -3.734 1.00 4.40 H new ATOM 573 N ALA A 35 3.019 -9.140 -3.109 1.00 0.34 N ATOM 574 CA ALA A 35 3.979 -8.132 -2.611 1.00 3.02 C ATOM 575 C ALA A 35 5.047 -7.800 -3.670 1.00 52.33 C ATOM 576 O ALA A 35 5.486 -6.659 -3.775 1.00 35.35 O ATOM 577 CB ALA A 35 4.637 -8.623 -1.320 1.00 14.41 C ATOM 0 H ALA A 35 3.009 -10.003 -2.565 1.00 0.34 H new ATOM 0 HA ALA A 35 3.427 -7.216 -2.401 1.00 3.02 H new ATOM 0 HB1 ALA A 35 5.342 -7.872 -0.963 1.00 14.41 H new ATOM 0 HB2 ALA A 35 3.871 -8.791 -0.563 1.00 14.41 H new ATOM 0 HB3 ALA A 35 5.167 -9.556 -1.514 1.00 14.41 H new ATOM 583 N LYS A 36 5.437 -8.821 -4.447 1.00 45.52 N ATOM 584 CA LYS A 36 6.352 -8.680 -5.591 1.00 71.52 C ATOM 585 C LYS A 36 5.706 -7.867 -6.727 1.00 13.54 C ATOM 586 O LYS A 36 6.381 -7.061 -7.375 1.00 31.31 O ATOM 587 CB LYS A 36 6.762 -10.085 -6.086 1.00 23.31 C ATOM 588 CG LYS A 36 7.607 -10.887 -5.063 1.00 11.13 C ATOM 589 CD LYS A 36 7.672 -12.401 -5.379 1.00 10.23 C ATOM 590 CE LYS A 36 8.223 -12.716 -6.780 1.00 11.55 C ATOM 591 NZ LYS A 36 8.319 -14.182 -7.019 1.00 41.43 N ATOM 0 H LYS A 36 5.123 -9.780 -4.297 1.00 45.52 H new ATOM 0 HA LYS A 36 7.239 -8.135 -5.270 1.00 71.52 H new ATOM 0 HB2 LYS A 36 5.863 -10.653 -6.325 1.00 23.31 H new ATOM 0 HB3 LYS A 36 7.329 -9.983 -7.011 1.00 23.31 H new ATOM 0 HG2 LYS A 36 8.619 -10.483 -5.042 1.00 11.13 H new ATOM 0 HG3 LYS A 36 7.187 -10.748 -4.067 1.00 11.13 H new ATOM 0 HD2 LYS A 36 8.297 -12.892 -4.633 1.00 10.23 H new ATOM 0 HD3 LYS A 36 6.672 -12.826 -5.287 1.00 10.23 H new ATOM 0 HE2 LYS A 36 7.577 -12.266 -7.534 1.00 11.55 H new ATOM 0 HE3 LYS A 36 9.208 -12.264 -6.893 1.00 11.55 H new ATOM 0 HZ1 LYS A 36 8.025 -14.395 -7.994 1.00 41.43 H new ATOM 0 HZ2 LYS A 36 9.301 -14.493 -6.878 1.00 41.43 H new ATOM 0 HZ3 LYS A 36 7.698 -14.684 -6.353 1.00 41.43 H new ATOM 605 N GLN A 37 4.388 -8.083 -6.954 1.00 1.43 N ATOM 606 CA GLN A 37 3.601 -7.280 -7.915 1.00 61.23 C ATOM 607 C GLN A 37 3.554 -5.803 -7.478 1.00 64.34 C ATOM 608 O GLN A 37 3.591 -4.916 -8.322 1.00 11.30 O ATOM 609 CB GLN A 37 2.152 -7.825 -8.067 1.00 51.03 C ATOM 610 CG GLN A 37 2.032 -9.220 -8.711 1.00 54.15 C ATOM 611 CD GLN A 37 0.570 -9.664 -8.883 1.00 62.13 C ATOM 612 OE1 GLN A 37 -0.059 -9.398 -9.906 1.00 34.33 O ATOM 613 NE2 GLN A 37 0.021 -10.346 -7.886 1.00 21.02 N ATOM 0 H GLN A 37 3.848 -8.809 -6.482 1.00 1.43 H new ATOM 0 HA GLN A 37 4.098 -7.355 -8.882 1.00 61.23 H new ATOM 0 HB2 GLN A 37 1.690 -7.858 -7.080 1.00 51.03 H new ATOM 0 HB3 GLN A 37 1.577 -7.117 -8.665 1.00 51.03 H new ATOM 0 HG2 GLN A 37 2.523 -9.211 -9.684 1.00 54.15 H new ATOM 0 HG3 GLN A 37 2.560 -9.948 -8.095 1.00 54.15 H new ATOM 0 HE21 GLN A 37 0.566 -10.553 -7.049 1.00 21.02 H new ATOM 0 HE22 GLN A 37 -0.946 -10.663 -7.957 1.00 21.02 H new ATOM 622 N VAL A 38 3.483 -5.568 -6.148 1.00 63.22 N ATOM 623 CA VAL A 38 3.495 -4.215 -5.566 1.00 43.45 C ATOM 624 C VAL A 38 4.848 -3.521 -5.820 1.00 55.51 C ATOM 625 O VAL A 38 4.875 -2.374 -6.249 1.00 62.43 O ATOM 626 CB VAL A 38 3.197 -4.247 -4.023 1.00 54.41 C ATOM 627 CG1 VAL A 38 3.255 -2.838 -3.399 1.00 62.11 C ATOM 628 CG2 VAL A 38 1.833 -4.904 -3.736 1.00 42.12 C ATOM 0 H VAL A 38 3.416 -6.312 -5.453 1.00 63.22 H new ATOM 0 HA VAL A 38 2.705 -3.647 -6.056 1.00 43.45 H new ATOM 0 HB VAL A 38 3.978 -4.850 -3.559 1.00 54.41 H new ATOM 0 HG11 VAL A 38 3.043 -2.904 -2.332 1.00 62.11 H new ATOM 0 HG12 VAL A 38 4.249 -2.415 -3.547 1.00 62.11 H new ATOM 0 HG13 VAL A 38 2.514 -2.198 -3.877 1.00 62.11 H new ATOM 0 HG21 VAL A 38 1.652 -4.913 -2.661 1.00 42.12 H new ATOM 0 HG22 VAL A 38 1.045 -4.337 -4.232 1.00 42.12 H new ATOM 0 HG23 VAL A 38 1.836 -5.927 -4.112 1.00 42.12 H new ATOM 638 N ILE A 39 5.955 -4.250 -5.567 1.00 15.11 N ATOM 639 CA ILE A 39 7.335 -3.764 -5.796 1.00 63.14 C ATOM 640 C ILE A 39 7.503 -3.229 -7.240 1.00 23.12 C ATOM 641 O ILE A 39 7.994 -2.107 -7.449 1.00 25.22 O ATOM 642 CB ILE A 39 8.382 -4.913 -5.516 1.00 61.33 C ATOM 643 CG1 ILE A 39 8.395 -5.307 -4.005 1.00 21.23 C ATOM 644 CG2 ILE A 39 9.797 -4.522 -5.991 1.00 44.14 C ATOM 645 CD1 ILE A 39 9.330 -6.452 -3.652 1.00 51.13 C ATOM 0 H ILE A 39 5.918 -5.199 -5.195 1.00 15.11 H new ATOM 0 HA ILE A 39 7.520 -2.944 -5.103 1.00 63.14 H new ATOM 0 HB ILE A 39 8.068 -5.783 -6.092 1.00 61.33 H new ATOM 0 HG12 ILE A 39 8.677 -4.433 -3.419 1.00 21.23 H new ATOM 0 HG13 ILE A 39 7.382 -5.578 -3.706 1.00 21.23 H new ATOM 0 HG21 ILE A 39 10.489 -5.337 -5.781 1.00 44.14 H new ATOM 0 HG22 ILE A 39 9.780 -4.327 -7.063 1.00 44.14 H new ATOM 0 HG23 ILE A 39 10.123 -3.625 -5.464 1.00 44.14 H new ATOM 0 HD11 ILE A 39 9.271 -6.654 -2.582 1.00 51.13 H new ATOM 0 HD12 ILE A 39 9.038 -7.344 -4.206 1.00 51.13 H new ATOM 0 HD13 ILE A 39 10.353 -6.181 -3.914 1.00 51.13 H new ATOM 657 N LYS A 40 7.036 -4.040 -8.205 1.00 74.45 N ATOM 658 CA LYS A 40 7.033 -3.690 -9.632 1.00 65.42 C ATOM 659 C LYS A 40 6.122 -2.478 -9.896 1.00 41.43 C ATOM 660 O LYS A 40 6.519 -1.538 -10.575 1.00 63.14 O ATOM 661 CB LYS A 40 6.541 -4.903 -10.464 1.00 54.33 C ATOM 662 CG LYS A 40 7.407 -6.174 -10.345 1.00 5.22 C ATOM 663 CD LYS A 40 6.781 -7.372 -11.098 1.00 54.25 C ATOM 664 CE LYS A 40 7.555 -8.677 -10.873 1.00 51.34 C ATOM 665 NZ LYS A 40 8.933 -8.633 -11.431 1.00 51.42 N ATOM 0 H LYS A 40 6.648 -4.963 -8.013 1.00 74.45 H new ATOM 0 HA LYS A 40 8.049 -3.429 -9.927 1.00 65.42 H new ATOM 0 HB2 LYS A 40 5.524 -5.146 -10.157 1.00 54.33 H new ATOM 0 HB3 LYS A 40 6.496 -4.610 -11.513 1.00 54.33 H new ATOM 0 HG2 LYS A 40 8.402 -5.974 -10.744 1.00 5.22 H new ATOM 0 HG3 LYS A 40 7.531 -6.431 -9.293 1.00 5.22 H new ATOM 0 HD2 LYS A 40 5.750 -7.504 -10.771 1.00 54.25 H new ATOM 0 HD3 LYS A 40 6.751 -7.151 -12.165 1.00 54.25 H new ATOM 0 HE2 LYS A 40 7.607 -8.884 -9.804 1.00 51.34 H new ATOM 0 HE3 LYS A 40 7.009 -9.502 -11.331 1.00 51.34 H new ATOM 0 HZ1 LYS A 40 9.410 -9.540 -11.251 1.00 51.42 H new ATOM 0 HZ2 LYS A 40 8.887 -8.464 -12.456 1.00 51.42 H new ATOM 0 HZ3 LYS A 40 9.467 -7.865 -10.977 1.00 51.42 H new ATOM 679 N GLU A 41 4.917 -2.519 -9.300 1.00 62.54 N ATOM 680 CA GLU A 41 3.832 -1.544 -9.530 1.00 1.23 C ATOM 681 C GLU A 41 4.282 -0.096 -9.213 1.00 1.24 C ATOM 682 O GLU A 41 4.149 0.821 -10.051 1.00 60.44 O ATOM 683 CB GLU A 41 2.625 -1.938 -8.632 1.00 43.14 C ATOM 684 CG GLU A 41 1.321 -1.177 -8.907 1.00 72.33 C ATOM 685 CD GLU A 41 0.727 -1.477 -10.296 1.00 3.25 C ATOM 686 OE1 GLU A 41 0.096 -2.533 -10.464 1.00 33.14 O ATOM 687 OE2 GLU A 41 0.877 -0.656 -11.219 1.00 51.23 O ATOM 0 H GLU A 41 4.663 -3.246 -8.631 1.00 62.54 H new ATOM 0 HA GLU A 41 3.552 -1.568 -10.583 1.00 1.23 H new ATOM 0 HB2 GLU A 41 2.436 -3.004 -8.755 1.00 43.14 H new ATOM 0 HB3 GLU A 41 2.904 -1.782 -7.590 1.00 43.14 H new ATOM 0 HG2 GLU A 41 0.589 -1.435 -8.142 1.00 72.33 H new ATOM 0 HG3 GLU A 41 1.507 -0.106 -8.822 1.00 72.33 H new ATOM 694 N ILE A 42 4.838 0.056 -7.994 1.00 2.24 N ATOM 695 CA ILE A 42 5.322 1.327 -7.446 1.00 31.24 C ATOM 696 C ILE A 42 6.353 1.979 -8.389 1.00 34.22 C ATOM 697 O ILE A 42 6.134 3.081 -8.878 1.00 2.54 O ATOM 698 CB ILE A 42 5.985 1.107 -6.031 1.00 24.54 C ATOM 699 CG1 ILE A 42 4.987 0.457 -5.015 1.00 74.34 C ATOM 700 CG2 ILE A 42 6.530 2.437 -5.472 1.00 23.30 C ATOM 701 CD1 ILE A 42 5.643 -0.063 -3.736 1.00 34.13 C ATOM 0 H ILE A 42 4.963 -0.726 -7.351 1.00 2.24 H new ATOM 0 HA ILE A 42 4.462 1.989 -7.345 1.00 31.24 H new ATOM 0 HB ILE A 42 6.816 0.415 -6.166 1.00 24.54 H new ATOM 0 HG12 ILE A 42 4.228 1.192 -4.747 1.00 74.34 H new ATOM 0 HG13 ILE A 42 4.472 -0.368 -5.507 1.00 74.34 H new ATOM 0 HG21 ILE A 42 6.983 2.263 -4.496 1.00 23.30 H new ATOM 0 HG22 ILE A 42 7.280 2.838 -6.154 1.00 23.30 H new ATOM 0 HG23 ILE A 42 5.713 3.151 -5.371 1.00 23.30 H new ATOM 0 HD11 ILE A 42 4.882 -0.497 -3.087 1.00 34.13 H new ATOM 0 HD12 ILE A 42 6.381 -0.824 -3.989 1.00 34.13 H new ATOM 0 HD13 ILE A 42 6.134 0.761 -3.218 1.00 34.13 H new ATOM 713 N GLN A 43 7.443 1.239 -8.666 1.00 24.33 N ATOM 714 CA GLN A 43 8.601 1.757 -9.426 1.00 24.32 C ATOM 715 C GLN A 43 8.225 2.042 -10.892 1.00 72.55 C ATOM 716 O GLN A 43 8.691 3.020 -11.481 1.00 71.43 O ATOM 717 CB GLN A 43 9.768 0.741 -9.384 1.00 42.34 C ATOM 718 CG GLN A 43 10.167 0.270 -7.974 1.00 1.52 C ATOM 719 CD GLN A 43 11.217 -0.841 -7.983 1.00 10.44 C ATOM 720 OE1 GLN A 43 12.097 -0.890 -8.843 1.00 43.53 O ATOM 721 NE2 GLN A 43 11.096 -1.779 -7.062 1.00 43.05 N ATOM 0 H GLN A 43 7.548 0.268 -8.371 1.00 24.33 H new ATOM 0 HA GLN A 43 8.912 2.691 -8.959 1.00 24.32 H new ATOM 0 HB2 GLN A 43 9.493 -0.131 -9.978 1.00 42.34 H new ATOM 0 HB3 GLN A 43 10.639 1.190 -9.861 1.00 42.34 H new ATOM 0 HG2 GLN A 43 10.552 1.120 -7.410 1.00 1.52 H new ATOM 0 HG3 GLN A 43 9.278 -0.084 -7.451 1.00 1.52 H new ATOM 0 HE21 GLN A 43 10.358 -1.713 -6.361 1.00 43.05 H new ATOM 0 HE22 GLN A 43 11.741 -2.569 -7.051 1.00 43.05 H new ATOM 730 N LYS A 44 7.366 1.162 -11.453 1.00 24.21 N ATOM 731 CA LYS A 44 6.876 1.261 -12.845 1.00 2.23 C ATOM 732 C LYS A 44 6.137 2.589 -13.081 1.00 2.02 C ATOM 733 O LYS A 44 6.291 3.219 -14.133 1.00 43.12 O ATOM 734 CB LYS A 44 5.937 0.061 -13.165 1.00 70.53 C ATOM 735 CG LYS A 44 5.439 -0.030 -14.627 1.00 11.14 C ATOM 736 CD LYS A 44 6.584 -0.246 -15.646 1.00 44.10 C ATOM 737 CE LYS A 44 6.080 -0.332 -17.098 1.00 11.02 C ATOM 738 NZ LYS A 44 5.438 0.933 -17.546 1.00 75.30 N ATOM 0 H LYS A 44 6.991 0.358 -10.949 1.00 24.21 H new ATOM 0 HA LYS A 44 7.738 1.231 -13.512 1.00 2.23 H new ATOM 0 HB2 LYS A 44 6.462 -0.863 -12.921 1.00 70.53 H new ATOM 0 HB3 LYS A 44 5.069 0.117 -12.508 1.00 70.53 H new ATOM 0 HG2 LYS A 44 4.726 -0.850 -14.711 1.00 11.14 H new ATOM 0 HG3 LYS A 44 4.903 0.885 -14.880 1.00 11.14 H new ATOM 0 HD2 LYS A 44 7.299 0.573 -15.562 1.00 44.10 H new ATOM 0 HD3 LYS A 44 7.119 -1.163 -15.397 1.00 44.10 H new ATOM 0 HE2 LYS A 44 6.916 -0.567 -17.757 1.00 11.02 H new ATOM 0 HE3 LYS A 44 5.366 -1.151 -17.185 1.00 11.02 H new ATOM 0 HZ1 LYS A 44 5.206 0.865 -18.557 1.00 75.30 H new ATOM 0 HZ2 LYS A 44 4.567 1.092 -17.001 1.00 75.30 H new ATOM 0 HZ3 LYS A 44 6.092 1.727 -17.393 1.00 75.30 H new ATOM 752 N LYS A 45 5.331 2.998 -12.090 1.00 31.32 N ATOM 753 CA LYS A 45 4.611 4.285 -12.126 1.00 53.24 C ATOM 754 C LYS A 45 5.413 5.421 -11.457 1.00 41.53 C ATOM 755 O LYS A 45 5.055 6.589 -11.606 1.00 74.23 O ATOM 756 CB LYS A 45 3.223 4.109 -11.471 1.00 2.34 C ATOM 757 CG LYS A 45 2.336 3.072 -12.202 1.00 2.35 C ATOM 758 CD LYS A 45 0.969 2.839 -11.526 1.00 13.01 C ATOM 759 CE LYS A 45 1.097 2.393 -10.055 1.00 3.44 C ATOM 760 NZ LYS A 45 -0.130 1.702 -9.593 1.00 60.33 N ATOM 0 H LYS A 45 5.159 2.452 -11.246 1.00 31.32 H new ATOM 0 HA LYS A 45 4.482 4.580 -13.167 1.00 53.24 H new ATOM 0 HB2 LYS A 45 3.353 3.800 -10.434 1.00 2.34 H new ATOM 0 HB3 LYS A 45 2.710 5.071 -11.455 1.00 2.34 H new ATOM 0 HG2 LYS A 45 2.172 3.405 -13.227 1.00 2.35 H new ATOM 0 HG3 LYS A 45 2.871 2.124 -12.257 1.00 2.35 H new ATOM 0 HD2 LYS A 45 0.385 3.758 -11.573 1.00 13.01 H new ATOM 0 HD3 LYS A 45 0.418 2.082 -12.084 1.00 13.01 H new ATOM 0 HE2 LYS A 45 1.954 1.728 -9.948 1.00 3.44 H new ATOM 0 HE3 LYS A 45 1.287 3.262 -9.425 1.00 3.44 H new ATOM 0 HZ1 LYS A 45 -0.007 1.399 -8.606 1.00 60.33 H new ATOM 0 HZ2 LYS A 45 -0.940 2.352 -9.658 1.00 60.33 H new ATOM 0 HZ3 LYS A 45 -0.306 0.869 -10.191 1.00 60.33 H new ATOM 774 N GLY A 46 6.491 5.068 -10.732 1.00 50.24 N ATOM 775 CA GLY A 46 7.352 6.051 -10.063 1.00 72.55 C ATOM 776 C GLY A 46 6.652 6.732 -8.895 1.00 51.54 C ATOM 777 O GLY A 46 6.674 7.964 -8.776 1.00 10.22 O ATOM 0 H GLY A 46 6.785 4.101 -10.596 1.00 50.24 H new ATOM 0 HA2 GLY A 46 8.254 5.556 -9.704 1.00 72.55 H new ATOM 0 HA3 GLY A 46 7.667 6.805 -10.784 1.00 72.55 H new ATOM 781 N VAL A 47 6.000 5.915 -8.056 1.00 43.40 N ATOM 782 CA VAL A 47 5.213 6.392 -6.910 1.00 62.41 C ATOM 783 C VAL A 47 6.162 6.777 -5.766 1.00 54.33 C ATOM 784 O VAL A 47 7.054 5.998 -5.407 1.00 64.14 O ATOM 785 CB VAL A 47 4.197 5.298 -6.428 1.00 24.33 C ATOM 786 CG1 VAL A 47 3.389 5.761 -5.191 1.00 61.32 C ATOM 787 CG2 VAL A 47 3.265 4.877 -7.588 1.00 23.31 C ATOM 0 H VAL A 47 6.004 4.900 -8.154 1.00 43.40 H new ATOM 0 HA VAL A 47 4.640 7.266 -7.219 1.00 62.41 H new ATOM 0 HB VAL A 47 4.772 4.426 -6.117 1.00 24.33 H new ATOM 0 HG11 VAL A 47 2.698 4.973 -4.892 1.00 61.32 H new ATOM 0 HG12 VAL A 47 4.072 5.976 -4.369 1.00 61.32 H new ATOM 0 HG13 VAL A 47 2.827 6.661 -5.440 1.00 61.32 H new ATOM 0 HG21 VAL A 47 2.567 4.118 -7.236 1.00 23.31 H new ATOM 0 HG22 VAL A 47 2.709 5.745 -7.942 1.00 23.31 H new ATOM 0 HG23 VAL A 47 3.862 4.471 -8.405 1.00 23.31 H new ATOM 797 N GLN A 48 5.955 7.977 -5.209 1.00 74.22 N ATOM 798 CA GLN A 48 6.823 8.542 -4.167 1.00 31.52 C ATOM 799 C GLN A 48 6.564 7.862 -2.812 1.00 62.12 C ATOM 800 O GLN A 48 7.487 7.352 -2.171 1.00 30.21 O ATOM 801 CB GLN A 48 6.580 10.074 -4.069 1.00 20.30 C ATOM 802 CG GLN A 48 7.532 10.839 -3.116 1.00 22.31 C ATOM 803 CD GLN A 48 9.012 10.703 -3.489 1.00 42.24 C ATOM 804 OE1 GLN A 48 9.362 10.532 -4.654 1.00 73.23 O ATOM 805 NE2 GLN A 48 9.894 10.821 -2.511 1.00 22.43 N ATOM 0 H GLN A 48 5.179 8.585 -5.469 1.00 74.22 H new ATOM 0 HA GLN A 48 7.864 8.361 -4.434 1.00 31.52 H new ATOM 0 HB2 GLN A 48 6.670 10.503 -5.067 1.00 20.30 H new ATOM 0 HB3 GLN A 48 5.554 10.242 -3.741 1.00 20.30 H new ATOM 0 HG2 GLN A 48 7.261 11.895 -3.116 1.00 22.31 H new ATOM 0 HG3 GLN A 48 7.387 10.473 -2.100 1.00 22.31 H new ATOM 0 HE21 GLN A 48 9.576 10.962 -1.552 1.00 22.43 H new ATOM 0 HE22 GLN A 48 10.892 10.771 -2.715 1.00 22.43 H new ATOM 814 N LYS A 49 5.294 7.865 -2.379 1.00 1.03 N ATOM 815 CA LYS A 49 4.907 7.398 -1.031 1.00 42.21 C ATOM 816 C LYS A 49 3.881 6.263 -1.128 1.00 22.32 C ATOM 817 O LYS A 49 2.945 6.334 -1.928 1.00 31.13 O ATOM 818 CB LYS A 49 4.342 8.575 -0.205 1.00 53.11 C ATOM 819 CG LYS A 49 5.289 9.799 -0.125 1.00 40.32 C ATOM 820 CD LYS A 49 4.804 10.882 0.858 1.00 71.42 C ATOM 821 CE LYS A 49 3.403 11.424 0.528 1.00 10.25 C ATOM 822 NZ LYS A 49 2.922 12.342 1.590 1.00 44.14 N ATOM 0 H LYS A 49 4.509 8.188 -2.945 1.00 1.03 H new ATOM 0 HA LYS A 49 5.793 7.012 -0.526 1.00 42.21 H new ATOM 0 HB2 LYS A 49 3.394 8.890 -0.641 1.00 53.11 H new ATOM 0 HB3 LYS A 49 4.128 8.227 0.806 1.00 53.11 H new ATOM 0 HG2 LYS A 49 6.281 9.463 0.176 1.00 40.32 H new ATOM 0 HG3 LYS A 49 5.389 10.238 -1.118 1.00 40.32 H new ATOM 0 HD2 LYS A 49 4.797 10.470 1.867 1.00 71.42 H new ATOM 0 HD3 LYS A 49 5.515 11.708 0.856 1.00 71.42 H new ATOM 0 HE2 LYS A 49 3.428 11.949 -0.427 1.00 10.25 H new ATOM 0 HE3 LYS A 49 2.705 10.594 0.417 1.00 10.25 H new ATOM 0 HZ1 LYS A 49 1.893 12.466 1.502 1.00 44.14 H new ATOM 0 HZ2 LYS A 49 3.144 11.940 2.523 1.00 44.14 H new ATOM 0 HZ3 LYS A 49 3.391 13.265 1.490 1.00 44.14 H new ATOM 836 N VAL A 50 4.075 5.215 -0.311 1.00 35.24 N ATOM 837 CA VAL A 50 3.240 3.998 -0.312 1.00 73.12 C ATOM 838 C VAL A 50 2.778 3.679 1.120 1.00 44.40 C ATOM 839 O VAL A 50 3.524 3.868 2.079 1.00 10.13 O ATOM 840 CB VAL A 50 4.047 2.785 -0.915 1.00 54.31 C ATOM 841 CG1 VAL A 50 3.265 1.448 -0.849 1.00 62.23 C ATOM 842 CG2 VAL A 50 4.478 3.106 -2.364 1.00 1.14 C ATOM 0 H VAL A 50 4.826 5.187 0.379 1.00 35.24 H new ATOM 0 HA VAL A 50 2.361 4.170 -0.933 1.00 73.12 H new ATOM 0 HB VAL A 50 4.935 2.647 -0.298 1.00 54.31 H new ATOM 0 HG11 VAL A 50 3.871 0.650 -1.279 1.00 62.23 H new ATOM 0 HG12 VAL A 50 3.037 1.211 0.190 1.00 62.23 H new ATOM 0 HG13 VAL A 50 2.336 1.541 -1.412 1.00 62.23 H new ATOM 0 HG21 VAL A 50 5.035 2.263 -2.773 1.00 1.14 H new ATOM 0 HG22 VAL A 50 3.594 3.288 -2.975 1.00 1.14 H new ATOM 0 HG23 VAL A 50 5.110 3.994 -2.367 1.00 1.14 H new ATOM 852 N VAL A 51 1.541 3.187 1.238 1.00 0.45 N ATOM 853 CA VAL A 51 0.905 2.840 2.510 1.00 74.31 C ATOM 854 C VAL A 51 0.848 1.309 2.628 1.00 24.55 C ATOM 855 O VAL A 51 0.532 0.631 1.659 1.00 33.30 O ATOM 856 CB VAL A 51 -0.560 3.415 2.581 1.00 24.22 C ATOM 857 CG1 VAL A 51 -1.155 3.272 3.997 1.00 30.23 C ATOM 858 CG2 VAL A 51 -0.627 4.881 2.090 1.00 31.33 C ATOM 0 H VAL A 51 0.941 3.015 0.431 1.00 0.45 H new ATOM 0 HA VAL A 51 1.486 3.270 3.325 1.00 74.31 H new ATOM 0 HB VAL A 51 -1.171 2.818 1.904 1.00 24.22 H new ATOM 0 HG11 VAL A 51 -2.166 3.679 4.010 1.00 30.23 H new ATOM 0 HG12 VAL A 51 -1.184 2.218 4.275 1.00 30.23 H new ATOM 0 HG13 VAL A 51 -0.536 3.818 4.709 1.00 30.23 H new ATOM 0 HG21 VAL A 51 -1.654 5.240 2.155 1.00 31.33 H new ATOM 0 HG22 VAL A 51 0.015 5.503 2.714 1.00 31.33 H new ATOM 0 HG23 VAL A 51 -0.289 4.934 1.055 1.00 31.33 H new ATOM 868 N LEU A 52 1.172 0.782 3.808 1.00 43.42 N ATOM 869 CA LEU A 52 1.098 -0.653 4.113 1.00 5.02 C ATOM 870 C LEU A 52 0.080 -0.871 5.251 1.00 64.01 C ATOM 871 O LEU A 52 0.395 -0.645 6.431 1.00 31.35 O ATOM 872 CB LEU A 52 2.516 -1.160 4.499 1.00 15.23 C ATOM 873 CG LEU A 52 3.622 -1.028 3.391 1.00 22.42 C ATOM 874 CD1 LEU A 52 4.999 -1.482 3.914 1.00 4.22 C ATOM 875 CD2 LEU A 52 3.243 -1.810 2.118 1.00 30.20 C ATOM 0 H LEU A 52 1.499 1.345 4.593 1.00 43.42 H new ATOM 0 HA LEU A 52 0.761 -1.221 3.246 1.00 5.02 H new ATOM 0 HB2 LEU A 52 2.848 -0.613 5.382 1.00 15.23 H new ATOM 0 HB3 LEU A 52 2.439 -2.209 4.784 1.00 15.23 H new ATOM 0 HG LEU A 52 3.689 0.028 3.130 1.00 22.42 H new ATOM 0 HD11 LEU A 52 5.741 -1.378 3.123 1.00 4.22 H new ATOM 0 HD12 LEU A 52 5.287 -0.864 4.765 1.00 4.22 H new ATOM 0 HD13 LEU A 52 4.944 -2.525 4.225 1.00 4.22 H new ATOM 0 HD21 LEU A 52 4.031 -1.696 1.373 1.00 30.20 H new ATOM 0 HD22 LEU A 52 3.124 -2.866 2.362 1.00 30.20 H new ATOM 0 HD23 LEU A 52 2.306 -1.422 1.718 1.00 30.20 H new ATOM 887 N VAL A 53 -1.147 -1.260 4.873 1.00 23.41 N ATOM 888 CA VAL A 53 -2.257 -1.505 5.802 1.00 33.31 C ATOM 889 C VAL A 53 -2.170 -2.944 6.354 1.00 74.05 C ATOM 890 O VAL A 53 -2.605 -3.908 5.690 1.00 34.43 O ATOM 891 CB VAL A 53 -3.667 -1.275 5.126 1.00 64.13 C ATOM 892 CG1 VAL A 53 -4.816 -1.336 6.168 1.00 74.13 C ATOM 893 CG2 VAL A 53 -3.709 0.045 4.319 1.00 44.21 C ATOM 0 H VAL A 53 -1.398 -1.415 3.897 1.00 23.41 H new ATOM 0 HA VAL A 53 -2.165 -0.787 6.617 1.00 33.31 H new ATOM 0 HB VAL A 53 -3.820 -2.091 4.420 1.00 64.13 H new ATOM 0 HG11 VAL A 53 -5.770 -1.174 5.667 1.00 74.13 H new ATOM 0 HG12 VAL A 53 -4.820 -2.315 6.648 1.00 74.13 H new ATOM 0 HG13 VAL A 53 -4.665 -0.563 6.921 1.00 74.13 H new ATOM 0 HG21 VAL A 53 -4.695 0.166 3.870 1.00 44.21 H new ATOM 0 HG22 VAL A 53 -3.508 0.885 4.984 1.00 44.21 H new ATOM 0 HG23 VAL A 53 -2.954 0.015 3.533 1.00 44.21 H new ATOM 903 N GLY A 54 -1.556 -3.062 7.543 1.00 53.23 N ATOM 904 CA GLY A 54 -1.475 -4.309 8.302 1.00 41.44 C ATOM 905 C GLY A 54 -0.717 -5.426 7.597 1.00 44.44 C ATOM 906 O GLY A 54 -1.246 -6.529 7.419 1.00 65.04 O ATOM 0 H GLY A 54 -1.097 -2.278 8.006 1.00 53.23 H new ATOM 0 HA2 GLY A 54 -0.993 -4.107 9.259 1.00 41.44 H new ATOM 0 HA3 GLY A 54 -2.486 -4.654 8.520 1.00 41.44 H new ATOM 910 N VAL A 55 0.527 -5.133 7.191 1.00 53.13 N ATOM 911 CA VAL A 55 1.414 -6.127 6.542 1.00 22.31 C ATOM 912 C VAL A 55 2.412 -6.708 7.563 1.00 2.10 C ATOM 913 O VAL A 55 2.553 -6.180 8.675 1.00 33.32 O ATOM 914 CB VAL A 55 2.197 -5.503 5.323 1.00 54.55 C ATOM 915 CG1 VAL A 55 1.223 -4.860 4.299 1.00 73.22 C ATOM 916 CG2 VAL A 55 3.289 -4.496 5.785 1.00 10.15 C ATOM 0 H VAL A 55 0.950 -4.211 7.299 1.00 53.13 H new ATOM 0 HA VAL A 55 0.780 -6.928 6.161 1.00 22.31 H new ATOM 0 HB VAL A 55 2.714 -6.320 4.820 1.00 54.55 H new ATOM 0 HG11 VAL A 55 1.792 -4.439 3.470 1.00 73.22 H new ATOM 0 HG12 VAL A 55 0.540 -5.620 3.920 1.00 73.22 H new ATOM 0 HG13 VAL A 55 0.652 -4.069 4.786 1.00 73.22 H new ATOM 0 HG21 VAL A 55 3.803 -4.091 4.913 1.00 10.15 H new ATOM 0 HG22 VAL A 55 2.822 -3.683 6.341 1.00 10.15 H new ATOM 0 HG23 VAL A 55 4.008 -5.007 6.425 1.00 10.15 H new ATOM 926 N SER A 56 3.102 -7.790 7.170 1.00 2.11 N ATOM 927 CA SER A 56 4.187 -8.387 7.966 1.00 75.43 C ATOM 928 C SER A 56 5.456 -7.518 7.872 1.00 45.21 C ATOM 929 O SER A 56 5.616 -6.746 6.916 1.00 22.03 O ATOM 930 CB SER A 56 4.482 -9.823 7.458 1.00 24.31 C ATOM 931 OG SER A 56 5.576 -10.419 8.143 1.00 71.45 O ATOM 0 H SER A 56 2.924 -8.276 6.291 1.00 2.11 H new ATOM 0 HA SER A 56 3.876 -8.436 9.010 1.00 75.43 H new ATOM 0 HB2 SER A 56 3.594 -10.442 7.586 1.00 24.31 H new ATOM 0 HB3 SER A 56 4.697 -9.792 6.390 1.00 24.31 H new ATOM 0 HG SER A 56 5.727 -11.322 7.794 1.00 71.45 H new ATOM 937 N GLU A 57 6.363 -7.682 8.855 1.00 35.20 N ATOM 938 CA GLU A 57 7.681 -7.006 8.878 1.00 2.33 C ATOM 939 C GLU A 57 8.535 -7.461 7.684 1.00 3.15 C ATOM 940 O GLU A 57 9.348 -6.695 7.173 1.00 11.32 O ATOM 941 CB GLU A 57 8.422 -7.314 10.201 1.00 24.22 C ATOM 942 CG GLU A 57 7.611 -7.003 11.471 1.00 64.31 C ATOM 943 CD GLU A 57 8.365 -7.355 12.760 1.00 3.35 C ATOM 944 OE1 GLU A 57 8.512 -8.561 13.050 1.00 74.12 O ATOM 945 OE2 GLU A 57 8.828 -6.436 13.475 1.00 34.12 O ATOM 0 H GLU A 57 6.204 -8.289 9.659 1.00 35.20 H new ATOM 0 HA GLU A 57 7.517 -5.931 8.807 1.00 2.33 H new ATOM 0 HB2 GLU A 57 8.700 -8.368 10.211 1.00 24.22 H new ATOM 0 HB3 GLU A 57 9.348 -6.740 10.227 1.00 24.22 H new ATOM 0 HG2 GLU A 57 7.356 -5.943 11.483 1.00 64.31 H new ATOM 0 HG3 GLU A 57 6.673 -7.557 11.442 1.00 64.31 H new ATOM 952 N LYS A 58 8.312 -8.725 7.256 1.00 31.14 N ATOM 953 CA LYS A 58 8.933 -9.303 6.051 1.00 73.02 C ATOM 954 C LYS A 58 8.664 -8.415 4.821 1.00 41.32 C ATOM 955 O LYS A 58 9.594 -7.958 4.165 1.00 73.23 O ATOM 956 CB LYS A 58 8.380 -10.736 5.788 1.00 44.34 C ATOM 957 CG LYS A 58 8.894 -11.379 4.470 1.00 71.42 C ATOM 958 CD LYS A 58 8.145 -12.681 4.109 1.00 12.30 C ATOM 959 CE LYS A 58 8.580 -13.267 2.754 1.00 75.13 C ATOM 960 NZ LYS A 58 7.780 -14.471 2.403 1.00 10.03 N ATOM 0 H LYS A 58 7.692 -9.373 7.743 1.00 31.14 H new ATOM 0 HA LYS A 58 10.008 -9.358 6.220 1.00 73.02 H new ATOM 0 HB2 LYS A 58 8.653 -11.379 6.625 1.00 44.34 H new ATOM 0 HB3 LYS A 58 7.291 -10.695 5.760 1.00 44.34 H new ATOM 0 HG2 LYS A 58 8.784 -10.664 3.655 1.00 71.42 H new ATOM 0 HG3 LYS A 58 9.959 -11.592 4.566 1.00 71.42 H new ATOM 0 HD2 LYS A 58 8.316 -13.421 4.891 1.00 12.30 H new ATOM 0 HD3 LYS A 58 7.073 -12.483 4.086 1.00 12.30 H new ATOM 0 HE2 LYS A 58 8.466 -12.512 1.976 1.00 75.13 H new ATOM 0 HE3 LYS A 58 9.637 -13.529 2.791 1.00 75.13 H new ATOM 0 HZ1 LYS A 58 7.936 -14.712 1.404 1.00 10.03 H new ATOM 0 HZ2 LYS A 58 8.073 -15.269 3.002 1.00 10.03 H new ATOM 0 HZ3 LYS A 58 6.771 -14.274 2.558 1.00 10.03 H new ATOM 974 N LEU A 59 7.369 -8.157 4.572 1.00 33.04 N ATOM 975 CA LEU A 59 6.893 -7.452 3.376 1.00 41.15 C ATOM 976 C LEU A 59 7.135 -5.942 3.492 1.00 15.44 C ATOM 977 O LEU A 59 7.311 -5.258 2.487 1.00 23.54 O ATOM 978 CB LEU A 59 5.388 -7.759 3.164 1.00 54.34 C ATOM 979 CG LEU A 59 5.019 -9.274 3.012 1.00 0.23 C ATOM 980 CD1 LEU A 59 3.506 -9.456 2.734 1.00 31.31 C ATOM 981 CD2 LEU A 59 5.892 -9.950 1.925 1.00 64.42 C ATOM 0 H LEU A 59 6.618 -8.436 5.203 1.00 33.04 H new ATOM 0 HA LEU A 59 7.454 -7.804 2.510 1.00 41.15 H new ATOM 0 HB2 LEU A 59 4.830 -7.351 4.007 1.00 54.34 H new ATOM 0 HB3 LEU A 59 5.050 -7.230 2.273 1.00 54.34 H new ATOM 0 HG LEU A 59 5.233 -9.772 3.957 1.00 0.23 H new ATOM 0 HD11 LEU A 59 3.280 -10.517 2.633 1.00 31.31 H new ATOM 0 HD12 LEU A 59 2.931 -9.039 3.561 1.00 31.31 H new ATOM 0 HD13 LEU A 59 3.241 -8.939 1.812 1.00 31.31 H new ATOM 0 HD21 LEU A 59 5.616 -11.001 1.839 1.00 64.42 H new ATOM 0 HD22 LEU A 59 5.731 -9.453 0.968 1.00 64.42 H new ATOM 0 HD23 LEU A 59 6.943 -9.872 2.202 1.00 64.42 H new ATOM 993 N LEU A 60 7.143 -5.439 4.739 1.00 42.51 N ATOM 994 CA LEU A 60 7.443 -4.030 5.032 1.00 33.12 C ATOM 995 C LEU A 60 8.875 -3.707 4.581 1.00 73.45 C ATOM 996 O LEU A 60 9.098 -2.787 3.776 1.00 1.34 O ATOM 997 CB LEU A 60 7.219 -3.739 6.550 1.00 21.44 C ATOM 998 CG LEU A 60 7.341 -2.237 7.030 1.00 65.34 C ATOM 999 CD1 LEU A 60 6.500 -1.998 8.300 1.00 44.23 C ATOM 1000 CD2 LEU A 60 8.813 -1.809 7.286 1.00 12.35 C ATOM 0 H LEU A 60 6.942 -5.997 5.569 1.00 42.51 H new ATOM 0 HA LEU A 60 6.766 -3.380 4.478 1.00 33.12 H new ATOM 0 HB2 LEU A 60 6.226 -4.099 6.819 1.00 21.44 H new ATOM 0 HB3 LEU A 60 7.937 -4.333 7.116 1.00 21.44 H new ATOM 0 HG LEU A 60 6.956 -1.621 6.217 1.00 65.34 H new ATOM 0 HD11 LEU A 60 6.599 -0.958 8.612 1.00 44.23 H new ATOM 0 HD12 LEU A 60 5.453 -2.215 8.089 1.00 44.23 H new ATOM 0 HD13 LEU A 60 6.853 -2.651 9.098 1.00 44.23 H new ATOM 0 HD21 LEU A 60 8.838 -0.770 7.613 1.00 12.35 H new ATOM 0 HD22 LEU A 60 9.247 -2.443 8.059 1.00 12.35 H new ATOM 0 HD23 LEU A 60 9.388 -1.914 6.366 1.00 12.35 H new ATOM 1012 N GLN A 61 9.829 -4.507 5.087 1.00 73.31 N ATOM 1013 CA GLN A 61 11.256 -4.338 4.799 1.00 73.03 C ATOM 1014 C GLN A 61 11.581 -4.680 3.335 1.00 45.11 C ATOM 1015 O GLN A 61 12.416 -4.020 2.720 1.00 31.32 O ATOM 1016 CB GLN A 61 12.109 -5.182 5.775 1.00 42.32 C ATOM 1017 CG GLN A 61 11.923 -4.789 7.261 1.00 43.34 C ATOM 1018 CD GLN A 61 12.758 -5.617 8.237 1.00 32.44 C ATOM 1019 OE1 GLN A 61 13.864 -6.056 7.923 1.00 25.02 O ATOM 1020 NE2 GLN A 61 12.223 -5.847 9.427 1.00 13.20 N ATOM 0 H GLN A 61 9.627 -5.290 5.709 1.00 73.31 H new ATOM 0 HA GLN A 61 11.507 -3.288 4.947 1.00 73.03 H new ATOM 0 HB2 GLN A 61 11.853 -6.234 5.651 1.00 42.32 H new ATOM 0 HB3 GLN A 61 13.161 -5.077 5.509 1.00 42.32 H new ATOM 0 HG2 GLN A 61 12.181 -3.737 7.382 1.00 43.34 H new ATOM 0 HG3 GLN A 61 10.870 -4.892 7.523 1.00 43.34 H new ATOM 0 HE21 GLN A 61 11.304 -5.468 9.655 1.00 13.20 H new ATOM 0 HE22 GLN A 61 12.730 -6.403 10.115 1.00 13.20 H new ATOM 1029 N LYS A 62 10.895 -5.692 2.786 1.00 34.13 N ATOM 1030 CA LYS A 62 11.091 -6.146 1.398 1.00 71.02 C ATOM 1031 C LYS A 62 10.783 -5.016 0.392 1.00 20.15 C ATOM 1032 O LYS A 62 11.599 -4.707 -0.484 1.00 42.14 O ATOM 1033 CB LYS A 62 10.194 -7.379 1.117 1.00 15.11 C ATOM 1034 CG LYS A 62 10.319 -7.941 -0.304 1.00 41.51 C ATOM 1035 CD LYS A 62 9.555 -9.261 -0.510 1.00 0.31 C ATOM 1036 CE LYS A 62 9.773 -9.806 -1.926 1.00 14.41 C ATOM 1037 NZ LYS A 62 11.227 -9.933 -2.246 1.00 73.20 N ATOM 0 H LYS A 62 10.186 -6.222 3.292 1.00 34.13 H new ATOM 0 HA LYS A 62 12.137 -6.427 1.273 1.00 71.02 H new ATOM 0 HB2 LYS A 62 10.444 -8.165 1.829 1.00 15.11 H new ATOM 0 HB3 LYS A 62 9.154 -7.105 1.297 1.00 15.11 H new ATOM 0 HG2 LYS A 62 9.948 -7.201 -1.013 1.00 41.51 H new ATOM 0 HG3 LYS A 62 11.373 -8.101 -0.532 1.00 41.51 H new ATOM 0 HD2 LYS A 62 9.888 -9.997 0.222 1.00 0.31 H new ATOM 0 HD3 LYS A 62 8.491 -9.100 -0.338 1.00 0.31 H new ATOM 0 HE2 LYS A 62 9.292 -10.780 -2.020 1.00 14.41 H new ATOM 0 HE3 LYS A 62 9.297 -9.144 -2.649 1.00 14.41 H new ATOM 0 HZ1 LYS A 62 11.345 -10.516 -3.099 1.00 73.20 H new ATOM 0 HZ2 LYS A 62 11.629 -8.989 -2.413 1.00 73.20 H new ATOM 0 HZ3 LYS A 62 11.720 -10.383 -1.449 1.00 73.20 H new ATOM 1051 N ILE A 63 9.600 -4.396 0.561 1.00 4.12 N ATOM 1052 CA ILE A 63 9.129 -3.301 -0.305 1.00 64.43 C ATOM 1053 C ILE A 63 10.035 -2.047 -0.153 1.00 21.20 C ATOM 1054 O ILE A 63 10.368 -1.416 -1.152 1.00 42.35 O ATOM 1055 CB ILE A 63 7.579 -2.981 -0.055 1.00 53.02 C ATOM 1056 CG1 ILE A 63 6.645 -3.947 -0.888 1.00 73.12 C ATOM 1057 CG2 ILE A 63 7.206 -1.495 -0.345 1.00 54.14 C ATOM 1058 CD1 ILE A 63 6.803 -5.442 -0.620 1.00 0.14 C ATOM 0 H ILE A 63 8.944 -4.641 1.303 1.00 4.12 H new ATOM 0 HA ILE A 63 9.209 -3.625 -1.343 1.00 64.43 H new ATOM 0 HB ILE A 63 7.411 -3.155 1.008 1.00 53.02 H new ATOM 0 HG12 ILE A 63 5.608 -3.673 -0.692 1.00 73.12 H new ATOM 0 HG13 ILE A 63 6.827 -3.769 -1.948 1.00 73.12 H new ATOM 0 HG21 ILE A 63 6.143 -1.343 -0.157 1.00 54.14 H new ATOM 0 HG22 ILE A 63 7.787 -0.841 0.305 1.00 54.14 H new ATOM 0 HG23 ILE A 63 7.427 -1.261 -1.386 1.00 54.14 H new ATOM 0 HD11 ILE A 63 6.110 -6.000 -1.250 1.00 0.14 H new ATOM 0 HD12 ILE A 63 7.825 -5.746 -0.847 1.00 0.14 H new ATOM 0 HD13 ILE A 63 6.587 -5.649 0.428 1.00 0.14 H new ATOM 1070 N LYS A 64 10.479 -1.716 1.081 1.00 12.21 N ATOM 1071 CA LYS A 64 11.325 -0.510 1.299 1.00 21.15 C ATOM 1072 C LYS A 64 12.760 -0.710 0.765 1.00 3.21 C ATOM 1073 O LYS A 64 13.467 0.263 0.510 1.00 24.11 O ATOM 1074 CB LYS A 64 11.297 -0.052 2.794 1.00 65.22 C ATOM 1075 CG LYS A 64 11.951 -0.983 3.848 1.00 14.00 C ATOM 1076 CD LYS A 64 13.477 -0.772 4.032 1.00 65.35 C ATOM 1077 CE LYS A 64 14.100 -1.771 5.023 1.00 4.23 C ATOM 1078 NZ LYS A 64 15.564 -1.564 5.193 1.00 50.05 N ATOM 0 H LYS A 64 10.274 -2.250 1.926 1.00 12.21 H new ATOM 0 HA LYS A 64 10.893 0.303 0.716 1.00 21.15 H new ATOM 0 HB2 LYS A 64 11.787 0.920 2.856 1.00 65.22 H new ATOM 0 HB3 LYS A 64 10.256 0.097 3.079 1.00 65.22 H new ATOM 0 HG2 LYS A 64 11.457 -0.829 4.807 1.00 14.00 H new ATOM 0 HG3 LYS A 64 11.772 -2.019 3.560 1.00 14.00 H new ATOM 0 HD2 LYS A 64 13.972 -0.869 3.066 1.00 65.35 H new ATOM 0 HD3 LYS A 64 13.659 0.244 4.383 1.00 65.35 H new ATOM 0 HE2 LYS A 64 13.607 -1.674 5.990 1.00 4.23 H new ATOM 0 HE3 LYS A 64 13.918 -2.787 4.673 1.00 4.23 H new ATOM 0 HZ1 LYS A 64 15.937 -2.260 5.869 1.00 50.05 H new ATOM 0 HZ2 LYS A 64 16.040 -1.683 4.276 1.00 50.05 H new ATOM 0 HZ3 LYS A 64 15.739 -0.604 5.553 1.00 50.05 H new ATOM 1092 N GLN A 65 13.196 -1.974 0.625 1.00 42.31 N ATOM 1093 CA GLN A 65 14.509 -2.291 0.033 1.00 61.13 C ATOM 1094 C GLN A 65 14.455 -2.179 -1.505 1.00 71.44 C ATOM 1095 O GLN A 65 15.168 -1.353 -2.090 1.00 15.23 O ATOM 1096 CB GLN A 65 14.997 -3.702 0.476 1.00 10.25 C ATOM 1097 CG GLN A 65 15.410 -3.811 1.963 1.00 60.52 C ATOM 1098 CD GLN A 65 15.767 -5.238 2.383 1.00 25.24 C ATOM 1099 OE1 GLN A 65 16.920 -5.656 2.294 1.00 33.25 O ATOM 1100 NE2 GLN A 65 14.780 -6.003 2.826 1.00 71.34 N ATOM 0 H GLN A 65 12.660 -2.792 0.913 1.00 42.31 H new ATOM 0 HA GLN A 65 15.231 -1.561 0.400 1.00 61.13 H new ATOM 0 HB2 GLN A 65 14.203 -4.423 0.281 1.00 10.25 H new ATOM 0 HB3 GLN A 65 15.847 -3.988 -0.144 1.00 10.25 H new ATOM 0 HG2 GLN A 65 16.265 -3.160 2.145 1.00 60.52 H new ATOM 0 HG3 GLN A 65 14.594 -3.448 2.588 1.00 60.52 H new ATOM 0 HE21 GLN A 65 13.833 -5.629 2.889 1.00 71.34 H new ATOM 0 HE22 GLN A 65 14.967 -6.966 3.104 1.00 71.34 H new ATOM 1109 N GLU A 66 13.597 -2.990 -2.156 1.00 61.12 N ATOM 1110 CA GLU A 66 13.516 -3.028 -3.627 1.00 3.31 C ATOM 1111 C GLU A 66 12.879 -1.743 -4.202 1.00 44.14 C ATOM 1112 O GLU A 66 13.452 -1.123 -5.108 1.00 20.11 O ATOM 1113 CB GLU A 66 12.748 -4.286 -4.123 1.00 55.52 C ATOM 1114 CG GLU A 66 13.530 -5.628 -4.067 1.00 63.14 C ATOM 1115 CD GLU A 66 13.543 -6.322 -2.693 1.00 20.20 C ATOM 1116 OE1 GLU A 66 14.374 -5.958 -1.838 1.00 21.23 O ATOM 1117 OE2 GLU A 66 12.745 -7.268 -2.483 1.00 10.23 O ATOM 0 H GLU A 66 12.952 -3.626 -1.686 1.00 61.12 H new ATOM 0 HA GLU A 66 14.540 -3.086 -3.996 1.00 3.31 H new ATOM 0 HB2 GLU A 66 11.841 -4.392 -3.528 1.00 55.52 H new ATOM 0 HB3 GLU A 66 12.435 -4.114 -5.153 1.00 55.52 H new ATOM 0 HG2 GLU A 66 13.099 -6.312 -4.798 1.00 63.14 H new ATOM 0 HG3 GLU A 66 14.560 -5.443 -4.373 1.00 63.14 H new ATOM 1124 N ALA A 67 11.692 -1.349 -3.690 1.00 30.53 N ATOM 1125 CA ALA A 67 10.964 -0.169 -4.214 1.00 13.23 C ATOM 1126 C ALA A 67 11.597 1.144 -3.727 1.00 70.20 C ATOM 1127 O ALA A 67 11.542 2.145 -4.451 1.00 24.32 O ATOM 1128 CB ALA A 67 9.469 -0.225 -3.854 1.00 63.41 C ATOM 0 H ALA A 67 11.220 -1.825 -2.921 1.00 30.53 H new ATOM 0 HA ALA A 67 11.046 -0.195 -5.301 1.00 13.23 H new ATOM 0 HB1 ALA A 67 8.965 0.655 -4.253 1.00 63.41 H new ATOM 0 HB2 ALA A 67 9.025 -1.123 -4.283 1.00 63.41 H new ATOM 0 HB3 ALA A 67 9.356 -0.247 -2.770 1.00 63.41 H new ATOM 1134 N ASN A 68 12.220 1.099 -2.526 1.00 53.14 N ATOM 1135 CA ASN A 68 12.952 2.240 -1.916 1.00 25.42 C ATOM 1136 C ASN A 68 12.075 3.517 -1.877 1.00 31.23 C ATOM 1137 O ASN A 68 12.355 4.520 -2.546 1.00 52.23 O ATOM 1138 CB ASN A 68 14.320 2.466 -2.642 1.00 1.24 C ATOM 1139 CG ASN A 68 15.238 3.502 -1.961 1.00 62.35 C ATOM 1140 OD1 ASN A 68 15.198 3.692 -0.744 1.00 45.22 O ATOM 1141 ND2 ASN A 68 16.072 4.175 -2.739 1.00 64.43 N ATOM 0 H ASN A 68 12.230 0.261 -1.945 1.00 53.14 H new ATOM 0 HA ASN A 68 13.177 1.994 -0.878 1.00 25.42 H new ATOM 0 HB2 ASN A 68 14.848 1.514 -2.701 1.00 1.24 H new ATOM 0 HB3 ASN A 68 14.126 2.787 -3.665 1.00 1.24 H new ATOM 0 HD21 ASN A 68 16.700 4.869 -2.334 1.00 64.43 H new ATOM 0 HD22 ASN A 68 16.086 4.000 -3.744 1.00 64.43 H new ATOM 1148 N VAL A 69 10.971 3.430 -1.118 1.00 63.12 N ATOM 1149 CA VAL A 69 9.931 4.488 -1.046 1.00 14.10 C ATOM 1150 C VAL A 69 9.520 4.755 0.410 1.00 12.50 C ATOM 1151 O VAL A 69 9.897 3.994 1.310 1.00 32.23 O ATOM 1152 CB VAL A 69 8.658 4.099 -1.894 1.00 13.44 C ATOM 1153 CG1 VAL A 69 8.959 4.126 -3.411 1.00 24.11 C ATOM 1154 CG2 VAL A 69 8.094 2.718 -1.454 1.00 62.33 C ATOM 0 H VAL A 69 10.767 2.622 -0.531 1.00 63.12 H new ATOM 0 HA VAL A 69 10.364 5.396 -1.465 1.00 14.10 H new ATOM 0 HB VAL A 69 7.891 4.849 -1.701 1.00 13.44 H new ATOM 0 HG11 VAL A 69 8.061 3.853 -3.965 1.00 24.11 H new ATOM 0 HG12 VAL A 69 9.274 5.128 -3.702 1.00 24.11 H new ATOM 0 HG13 VAL A 69 9.754 3.416 -3.637 1.00 24.11 H new ATOM 0 HG21 VAL A 69 7.217 2.475 -2.055 1.00 62.33 H new ATOM 0 HG22 VAL A 69 8.856 1.952 -1.597 1.00 62.33 H new ATOM 0 HG23 VAL A 69 7.813 2.758 -0.402 1.00 62.33 H new ATOM 1164 N GLN A 70 8.768 5.855 0.632 1.00 74.14 N ATOM 1165 CA GLN A 70 8.275 6.232 1.972 1.00 43.44 C ATOM 1166 C GLN A 70 7.195 5.246 2.446 1.00 52.12 C ATOM 1167 O GLN A 70 6.186 5.060 1.771 1.00 65.33 O ATOM 1168 CB GLN A 70 7.720 7.681 1.973 1.00 75.31 C ATOM 1169 CG GLN A 70 8.750 8.765 1.598 1.00 12.42 C ATOM 1170 CD GLN A 70 9.994 8.745 2.496 1.00 24.31 C ATOM 1171 OE1 GLN A 70 11.009 8.113 2.179 1.00 40.33 O ATOM 1172 NE2 GLN A 70 9.915 9.418 3.633 1.00 51.51 N ATOM 0 H GLN A 70 8.488 6.501 -0.106 1.00 74.14 H new ATOM 0 HA GLN A 70 9.116 6.189 2.665 1.00 43.44 H new ATOM 0 HB2 GLN A 70 6.884 7.736 1.275 1.00 75.31 H new ATOM 0 HB3 GLN A 70 7.323 7.903 2.964 1.00 75.31 H new ATOM 0 HG2 GLN A 70 9.055 8.626 0.561 1.00 12.42 H new ATOM 0 HG3 GLN A 70 8.278 9.745 1.662 1.00 12.42 H new ATOM 0 HE21 GLN A 70 9.063 9.929 3.865 1.00 51.51 H new ATOM 0 HE22 GLN A 70 10.706 9.425 4.277 1.00 51.51 H new ATOM 1181 N VAL A 71 7.431 4.613 3.602 1.00 51.15 N ATOM 1182 CA VAL A 71 6.527 3.603 4.173 1.00 50.53 C ATOM 1183 C VAL A 71 5.604 4.250 5.218 1.00 34.35 C ATOM 1184 O VAL A 71 6.078 4.757 6.236 1.00 42.01 O ATOM 1185 CB VAL A 71 7.349 2.431 4.834 1.00 23.41 C ATOM 1186 CG1 VAL A 71 6.435 1.432 5.589 1.00 31.10 C ATOM 1187 CG2 VAL A 71 8.216 1.704 3.776 1.00 52.12 C ATOM 0 H VAL A 71 8.259 4.787 4.172 1.00 51.15 H new ATOM 0 HA VAL A 71 5.920 3.190 3.367 1.00 50.53 H new ATOM 0 HB VAL A 71 8.013 2.877 5.575 1.00 23.41 H new ATOM 0 HG11 VAL A 71 7.044 0.642 6.028 1.00 31.10 H new ATOM 0 HG12 VAL A 71 5.897 1.956 6.379 1.00 31.10 H new ATOM 0 HG13 VAL A 71 5.720 0.994 4.892 1.00 31.10 H new ATOM 0 HG21 VAL A 71 8.775 0.899 4.254 1.00 52.12 H new ATOM 0 HG22 VAL A 71 7.572 1.288 3.001 1.00 52.12 H new ATOM 0 HG23 VAL A 71 8.912 2.412 3.327 1.00 52.12 H new ATOM 1197 N TYR A 72 4.295 4.256 4.948 1.00 61.04 N ATOM 1198 CA TYR A 72 3.274 4.631 5.934 1.00 41.22 C ATOM 1199 C TYR A 72 2.684 3.352 6.524 1.00 51.10 C ATOM 1200 O TYR A 72 1.844 2.708 5.893 1.00 71.41 O ATOM 1201 CB TYR A 72 2.167 5.490 5.270 1.00 53.25 C ATOM 1202 CG TYR A 72 2.606 6.914 4.913 1.00 31.42 C ATOM 1203 CD1 TYR A 72 3.342 7.189 3.754 1.00 22.44 C ATOM 1204 CD2 TYR A 72 2.282 7.994 5.743 1.00 73.14 C ATOM 1205 CE1 TYR A 72 3.727 8.477 3.445 1.00 44.50 C ATOM 1206 CE2 TYR A 72 2.663 9.279 5.428 1.00 72.23 C ATOM 1207 CZ TYR A 72 3.385 9.519 4.282 1.00 33.20 C ATOM 1208 OH TYR A 72 3.757 10.809 3.968 1.00 40.42 O ATOM 0 H TYR A 72 3.912 4.001 4.038 1.00 61.04 H new ATOM 0 HA TYR A 72 3.724 5.230 6.726 1.00 41.22 H new ATOM 0 HB2 TYR A 72 1.828 4.988 4.364 1.00 53.25 H new ATOM 0 HB3 TYR A 72 1.312 5.544 5.943 1.00 53.25 H new ATOM 0 HD1 TYR A 72 3.612 6.380 3.092 1.00 22.44 H new ATOM 0 HD2 TYR A 72 1.722 7.815 6.649 1.00 73.14 H new ATOM 0 HE1 TYR A 72 4.296 8.670 2.548 1.00 44.50 H new ATOM 0 HE2 TYR A 72 2.395 10.097 6.080 1.00 72.23 H new ATOM 0 HH TYR A 72 3.435 11.421 4.663 1.00 40.42 H new ATOM 1218 N ARG A 73 3.128 2.969 7.728 1.00 63.31 N ATOM 1219 CA ARG A 73 2.604 1.788 8.404 1.00 74.11 C ATOM 1220 C ARG A 73 1.322 2.169 9.138 1.00 12.43 C ATOM 1221 O ARG A 73 1.362 2.902 10.133 1.00 54.33 O ATOM 1222 CB ARG A 73 3.633 1.172 9.384 1.00 63.20 C ATOM 1223 CG ARG A 73 3.112 -0.088 10.127 1.00 42.03 C ATOM 1224 CD ARG A 73 2.718 -1.225 9.156 1.00 50.24 C ATOM 1225 NE ARG A 73 2.147 -2.390 9.856 1.00 44.25 N ATOM 1226 CZ ARG A 73 2.857 -3.397 10.392 1.00 31.25 C ATOM 1227 NH1 ARG A 73 4.185 -3.411 10.349 1.00 72.14 N ATOM 1228 NH2 ARG A 73 2.230 -4.409 10.968 1.00 5.34 N ATOM 0 H ARG A 73 3.850 3.465 8.250 1.00 63.31 H new ATOM 0 HA ARG A 73 2.393 1.025 7.655 1.00 74.11 H new ATOM 0 HB2 ARG A 73 4.535 0.910 8.832 1.00 63.20 H new ATOM 0 HB3 ARG A 73 3.917 1.925 10.119 1.00 63.20 H new ATOM 0 HG2 ARG A 73 3.882 -0.448 10.810 1.00 42.03 H new ATOM 0 HG3 ARG A 73 2.248 0.183 10.734 1.00 42.03 H new ATOM 0 HD2 ARG A 73 1.994 -0.848 8.434 1.00 50.24 H new ATOM 0 HD3 ARG A 73 3.597 -1.538 8.592 1.00 50.24 H new ATOM 0 HE ARG A 73 1.131 -2.435 9.940 1.00 44.25 H new ATOM 0 HH11 ARG A 73 4.689 -2.645 9.902 1.00 72.14 H new ATOM 0 HH12 ARG A 73 4.701 -4.187 10.764 1.00 72.14 H new ATOM 0 HH21 ARG A 73 1.211 -4.423 11.004 1.00 5.34 H new ATOM 0 HH22 ARG A 73 2.766 -5.175 11.376 1.00 5.34 H new ATOM 1242 N VAL A 74 0.191 1.701 8.613 1.00 30.31 N ATOM 1243 CA VAL A 74 -1.120 1.895 9.233 1.00 71.33 C ATOM 1244 C VAL A 74 -1.768 0.518 9.447 1.00 24.52 C ATOM 1245 O VAL A 74 -1.458 -0.439 8.736 1.00 45.41 O ATOM 1246 CB VAL A 74 -2.047 2.842 8.363 1.00 60.24 C ATOM 1247 CG1 VAL A 74 -1.318 4.162 7.970 1.00 33.24 C ATOM 1248 CG2 VAL A 74 -2.606 2.128 7.112 1.00 54.44 C ATOM 0 H VAL A 74 0.157 1.173 7.741 1.00 30.31 H new ATOM 0 HA VAL A 74 -0.993 2.393 10.194 1.00 71.33 H new ATOM 0 HB VAL A 74 -2.897 3.103 8.994 1.00 60.24 H new ATOM 0 HG11 VAL A 74 -1.987 4.784 7.375 1.00 33.24 H new ATOM 0 HG12 VAL A 74 -1.029 4.701 8.872 1.00 33.24 H new ATOM 0 HG13 VAL A 74 -0.427 3.926 7.388 1.00 33.24 H new ATOM 0 HG21 VAL A 74 -3.235 2.818 6.549 1.00 54.44 H new ATOM 0 HG22 VAL A 74 -1.780 1.795 6.484 1.00 54.44 H new ATOM 0 HG23 VAL A 74 -3.198 1.266 7.419 1.00 54.44 H new ATOM 1258 N THR A 75 -2.596 0.399 10.479 1.00 32.13 N ATOM 1259 CA THR A 75 -3.431 -0.790 10.724 1.00 15.33 C ATOM 1260 C THR A 75 -4.907 -0.374 10.841 1.00 21.44 C ATOM 1261 O THR A 75 -5.779 -1.211 11.088 1.00 64.22 O ATOM 1262 CB THR A 75 -2.979 -1.530 12.025 1.00 63.24 C ATOM 1263 OG1 THR A 75 -3.065 -0.631 13.140 1.00 72.32 O ATOM 1264 CG2 THR A 75 -1.536 -2.074 11.919 1.00 71.32 C ATOM 0 H THR A 75 -2.714 1.129 11.182 1.00 32.13 H new ATOM 0 HA THR A 75 -3.313 -1.474 9.884 1.00 15.33 H new ATOM 0 HB THR A 75 -3.645 -2.382 12.166 1.00 63.24 H new ATOM 0 HG1 THR A 75 -2.784 -1.094 13.956 1.00 72.32 H new ATOM 0 HG21 THR A 75 -1.269 -2.579 12.847 1.00 71.32 H new ATOM 0 HG22 THR A 75 -1.473 -2.779 11.090 1.00 71.32 H new ATOM 0 HG23 THR A 75 -0.847 -1.247 11.745 1.00 71.32 H new ATOM 1272 N SER A 76 -5.175 0.928 10.624 1.00 1.40 N ATOM 1273 CA SER A 76 -6.503 1.523 10.787 1.00 14.51 C ATOM 1274 C SER A 76 -6.798 2.459 9.603 1.00 22.44 C ATOM 1275 O SER A 76 -5.878 3.058 9.019 1.00 12.32 O ATOM 1276 CB SER A 76 -6.573 2.294 12.128 1.00 23.40 C ATOM 1277 OG SER A 76 -7.880 2.787 12.377 1.00 13.52 O ATOM 0 H SER A 76 -4.465 1.597 10.328 1.00 1.40 H new ATOM 0 HA SER A 76 -7.256 0.735 10.804 1.00 14.51 H new ATOM 0 HB2 SER A 76 -6.270 1.637 12.943 1.00 23.40 H new ATOM 0 HB3 SER A 76 -5.867 3.125 12.109 1.00 23.40 H new ATOM 0 HG SER A 76 -7.868 3.767 12.366 1.00 13.52 H new ATOM 1283 N ASN A 77 -8.098 2.583 9.288 1.00 14.21 N ATOM 1284 CA ASN A 77 -8.603 3.368 8.146 1.00 14.20 C ATOM 1285 C ASN A 77 -8.402 4.865 8.387 1.00 64.41 C ATOM 1286 O ASN A 77 -8.145 5.600 7.448 1.00 73.32 O ATOM 1287 CB ASN A 77 -10.111 3.079 7.902 1.00 0.13 C ATOM 1288 CG ASN A 77 -10.443 1.600 7.693 1.00 44.32 C ATOM 1289 OD1 ASN A 77 -9.730 0.703 8.151 1.00 55.44 O ATOM 1290 ND2 ASN A 77 -11.555 1.330 7.036 1.00 41.12 N ATOM 0 H ASN A 77 -8.839 2.135 9.826 1.00 14.21 H new ATOM 0 HA ASN A 77 -8.037 3.071 7.263 1.00 14.20 H new ATOM 0 HB2 ASN A 77 -10.682 3.451 8.752 1.00 0.13 H new ATOM 0 HB3 ASN A 77 -10.440 3.640 7.027 1.00 0.13 H new ATOM 0 HD21 ASN A 77 -11.843 0.361 6.897 1.00 41.12 H new ATOM 0 HD22 ASN A 77 -12.127 2.090 6.667 1.00 41.12 H new ATOM 1297 N ASP A 78 -8.491 5.281 9.666 1.00 34.42 N ATOM 1298 CA ASP A 78 -8.324 6.689 10.089 1.00 1.11 C ATOM 1299 C ASP A 78 -6.961 7.237 9.630 1.00 41.21 C ATOM 1300 O ASP A 78 -6.866 8.333 9.068 1.00 0.23 O ATOM 1301 CB ASP A 78 -8.410 6.800 11.633 1.00 30.04 C ATOM 1302 CG ASP A 78 -9.681 6.188 12.244 1.00 22.03 C ATOM 1303 OD1 ASP A 78 -10.735 6.855 12.266 1.00 0.54 O ATOM 1304 OD2 ASP A 78 -9.627 5.035 12.720 1.00 20.21 O ATOM 0 H ASP A 78 -8.682 4.646 10.441 1.00 34.42 H new ATOM 0 HA ASP A 78 -9.123 7.272 9.631 1.00 1.11 H new ATOM 0 HB2 ASP A 78 -7.540 6.310 12.069 1.00 30.04 H new ATOM 0 HB3 ASP A 78 -8.357 7.852 11.913 1.00 30.04 H new ATOM 1309 N GLU A 79 -5.921 6.426 9.872 1.00 4.33 N ATOM 1310 CA GLU A 79 -4.533 6.764 9.544 1.00 20.52 C ATOM 1311 C GLU A 79 -4.315 6.759 8.022 1.00 3.12 C ATOM 1312 O GLU A 79 -3.604 7.616 7.482 1.00 30.34 O ATOM 1313 CB GLU A 79 -3.589 5.765 10.243 1.00 33.25 C ATOM 1314 CG GLU A 79 -3.773 5.690 11.770 1.00 4.24 C ATOM 1315 CD GLU A 79 -3.633 7.054 12.471 1.00 21.44 C ATOM 1316 OE1 GLU A 79 -2.530 7.634 12.445 1.00 63.41 O ATOM 1317 OE2 GLU A 79 -4.626 7.553 13.042 1.00 24.30 O ATOM 0 H GLU A 79 -6.023 5.508 10.305 1.00 4.33 H new ATOM 0 HA GLU A 79 -4.313 7.770 9.901 1.00 20.52 H new ATOM 0 HB2 GLU A 79 -3.748 4.773 9.819 1.00 33.25 H new ATOM 0 HB3 GLU A 79 -2.558 6.043 10.025 1.00 33.25 H new ATOM 0 HG2 GLU A 79 -4.757 5.276 11.990 1.00 4.24 H new ATOM 0 HG3 GLU A 79 -3.037 5.000 12.184 1.00 4.24 H new ATOM 1324 N LEU A 80 -4.969 5.797 7.348 1.00 43.25 N ATOM 1325 CA LEU A 80 -4.980 5.697 5.883 1.00 45.43 C ATOM 1326 C LEU A 80 -5.552 6.994 5.260 1.00 5.24 C ATOM 1327 O LEU A 80 -4.978 7.540 4.305 1.00 43.44 O ATOM 1328 CB LEU A 80 -5.779 4.417 5.461 1.00 23.34 C ATOM 1329 CG LEU A 80 -5.938 4.101 3.922 1.00 61.22 C ATOM 1330 CD1 LEU A 80 -7.144 4.816 3.282 1.00 4.03 C ATOM 1331 CD2 LEU A 80 -4.638 4.414 3.145 1.00 11.40 C ATOM 0 H LEU A 80 -5.507 5.064 7.810 1.00 43.25 H new ATOM 0 HA LEU A 80 -3.964 5.593 5.503 1.00 45.43 H new ATOM 0 HB2 LEU A 80 -5.298 3.557 5.928 1.00 23.34 H new ATOM 0 HB3 LEU A 80 -6.779 4.494 5.888 1.00 23.34 H new ATOM 0 HG LEU A 80 -6.134 3.031 3.852 1.00 61.22 H new ATOM 0 HD11 LEU A 80 -7.200 4.559 2.224 1.00 4.03 H new ATOM 0 HD12 LEU A 80 -8.061 4.501 3.781 1.00 4.03 H new ATOM 0 HD13 LEU A 80 -7.026 5.894 3.388 1.00 4.03 H new ATOM 0 HD21 LEU A 80 -4.781 4.185 2.089 1.00 11.40 H new ATOM 0 HD22 LEU A 80 -4.392 5.470 3.258 1.00 11.40 H new ATOM 0 HD23 LEU A 80 -3.823 3.808 3.540 1.00 11.40 H new ATOM 1343 N GLU A 81 -6.648 7.500 5.854 1.00 31.24 N ATOM 1344 CA GLU A 81 -7.303 8.741 5.417 1.00 70.33 C ATOM 1345 C GLU A 81 -6.364 9.938 5.604 1.00 21.11 C ATOM 1346 O GLU A 81 -6.316 10.820 4.751 1.00 1.32 O ATOM 1347 CB GLU A 81 -8.617 8.974 6.196 1.00 72.35 C ATOM 1348 CG GLU A 81 -9.697 7.898 5.976 1.00 32.20 C ATOM 1349 CD GLU A 81 -10.988 8.188 6.750 1.00 21.11 C ATOM 1350 OE1 GLU A 81 -11.004 7.998 7.985 1.00 31.44 O ATOM 1351 OE2 GLU A 81 -11.985 8.632 6.135 1.00 54.45 O ATOM 0 H GLU A 81 -7.103 7.057 6.652 1.00 31.24 H new ATOM 0 HA GLU A 81 -7.541 8.641 4.358 1.00 70.33 H new ATOM 0 HB2 GLU A 81 -8.388 9.026 7.260 1.00 72.35 H new ATOM 0 HB3 GLU A 81 -9.026 9.943 5.910 1.00 72.35 H new ATOM 0 HG2 GLU A 81 -9.924 7.829 4.912 1.00 32.20 H new ATOM 0 HG3 GLU A 81 -9.305 6.928 6.282 1.00 32.20 H new ATOM 1358 N GLN A 82 -5.595 9.932 6.718 1.00 64.23 N ATOM 1359 CA GLN A 82 -4.596 10.977 7.004 1.00 52.11 C ATOM 1360 C GLN A 82 -3.519 11.043 5.910 1.00 53.11 C ATOM 1361 O GLN A 82 -3.101 12.131 5.541 1.00 13.14 O ATOM 1362 CB GLN A 82 -3.935 10.773 8.389 1.00 23.55 C ATOM 1363 CG GLN A 82 -4.860 11.014 9.601 1.00 43.31 C ATOM 1364 CD GLN A 82 -5.365 12.463 9.717 1.00 5.31 C ATOM 1365 OE1 GLN A 82 -4.706 13.407 9.276 1.00 51.45 O ATOM 1366 NE2 GLN A 82 -6.518 12.663 10.335 1.00 20.31 N ATOM 0 H GLN A 82 -5.652 9.208 7.435 1.00 64.23 H new ATOM 0 HA GLN A 82 -5.131 11.926 7.018 1.00 52.11 H new ATOM 0 HB2 GLN A 82 -3.550 9.755 8.443 1.00 23.55 H new ATOM 0 HB3 GLN A 82 -3.079 11.443 8.467 1.00 23.55 H new ATOM 0 HG2 GLN A 82 -5.717 10.345 9.531 1.00 43.31 H new ATOM 0 HG3 GLN A 82 -4.324 10.751 10.513 1.00 43.31 H new ATOM 0 HE21 GLN A 82 -7.049 11.869 10.693 1.00 20.31 H new ATOM 0 HE22 GLN A 82 -6.876 13.611 10.453 1.00 20.31 H new ATOM 1375 N VAL A 83 -3.098 9.874 5.379 1.00 4.52 N ATOM 1376 CA VAL A 83 -2.104 9.833 4.277 1.00 33.22 C ATOM 1377 C VAL A 83 -2.686 10.494 3.007 1.00 75.20 C ATOM 1378 O VAL A 83 -2.006 11.273 2.330 1.00 64.20 O ATOM 1379 CB VAL A 83 -1.637 8.375 3.904 1.00 75.44 C ATOM 1380 CG1 VAL A 83 -0.411 8.416 2.954 1.00 12.51 C ATOM 1381 CG2 VAL A 83 -1.347 7.517 5.152 1.00 23.31 C ATOM 0 H VAL A 83 -3.423 8.958 5.688 1.00 4.52 H new ATOM 0 HA VAL A 83 -1.234 10.378 4.644 1.00 33.22 H new ATOM 0 HB VAL A 83 -2.463 7.896 3.378 1.00 75.44 H new ATOM 0 HG11 VAL A 83 -0.106 7.399 2.710 1.00 12.51 H new ATOM 0 HG12 VAL A 83 -0.677 8.945 2.039 1.00 12.51 H new ATOM 0 HG13 VAL A 83 0.413 8.934 3.445 1.00 12.51 H new ATOM 0 HG21 VAL A 83 -1.029 6.521 4.843 1.00 23.31 H new ATOM 0 HG22 VAL A 83 -0.557 7.985 5.739 1.00 23.31 H new ATOM 0 HG23 VAL A 83 -2.250 7.438 5.757 1.00 23.31 H new ATOM 1391 N VAL A 84 -3.967 10.178 2.713 1.00 51.20 N ATOM 1392 CA VAL A 84 -4.685 10.719 1.539 1.00 33.44 C ATOM 1393 C VAL A 84 -4.947 12.247 1.689 1.00 70.22 C ATOM 1394 O VAL A 84 -5.031 12.977 0.693 1.00 53.21 O ATOM 1395 CB VAL A 84 -6.038 9.951 1.292 1.00 20.41 C ATOM 1396 CG1 VAL A 84 -6.750 10.441 0.008 1.00 34.21 C ATOM 1397 CG2 VAL A 84 -5.813 8.419 1.241 1.00 51.11 C ATOM 0 H VAL A 84 -4.529 9.544 3.280 1.00 51.20 H new ATOM 0 HA VAL A 84 -4.044 10.568 0.671 1.00 33.44 H new ATOM 0 HB VAL A 84 -6.690 10.172 2.137 1.00 20.41 H new ATOM 0 HG11 VAL A 84 -7.679 9.887 -0.127 1.00 34.21 H new ATOM 0 HG12 VAL A 84 -6.972 11.504 0.098 1.00 34.21 H new ATOM 0 HG13 VAL A 84 -6.102 10.277 -0.853 1.00 34.21 H new ATOM 0 HG21 VAL A 84 -6.765 7.917 1.069 1.00 51.11 H new ATOM 0 HG22 VAL A 84 -5.125 8.179 0.430 1.00 51.11 H new ATOM 0 HG23 VAL A 84 -5.390 8.082 2.187 1.00 51.11 H new ATOM 1407 N LYS A 85 -5.058 12.712 2.944 1.00 64.03 N ATOM 1408 CA LYS A 85 -5.155 14.149 3.274 1.00 70.11 C ATOM 1409 C LYS A 85 -3.813 14.838 2.974 1.00 31.31 C ATOM 1410 O LYS A 85 -3.759 15.833 2.249 1.00 44.41 O ATOM 1411 CB LYS A 85 -5.558 14.323 4.776 1.00 40.25 C ATOM 1412 CG LYS A 85 -7.018 13.914 5.108 1.00 61.21 C ATOM 1413 CD LYS A 85 -7.319 13.767 6.631 1.00 70.43 C ATOM 1414 CE LYS A 85 -7.279 15.092 7.431 1.00 40.41 C ATOM 1415 NZ LYS A 85 -5.899 15.611 7.662 1.00 33.20 N ATOM 0 H LYS A 85 -5.083 12.103 3.762 1.00 64.03 H new ATOM 0 HA LYS A 85 -5.925 14.617 2.661 1.00 70.11 H new ATOM 0 HB2 LYS A 85 -4.880 13.730 5.391 1.00 40.25 H new ATOM 0 HB3 LYS A 85 -5.414 15.366 5.058 1.00 40.25 H new ATOM 0 HG2 LYS A 85 -7.695 14.658 4.687 1.00 61.21 H new ATOM 0 HG3 LYS A 85 -7.238 12.967 4.614 1.00 61.21 H new ATOM 0 HD2 LYS A 85 -8.304 13.316 6.751 1.00 70.43 H new ATOM 0 HD3 LYS A 85 -6.597 13.075 7.065 1.00 70.43 H new ATOM 0 HE2 LYS A 85 -7.857 15.846 6.897 1.00 40.41 H new ATOM 0 HE3 LYS A 85 -7.766 14.940 8.394 1.00 40.41 H new ATOM 0 HZ1 LYS A 85 -5.899 16.239 8.491 1.00 33.20 H new ATOM 0 HZ2 LYS A 85 -5.252 14.814 7.831 1.00 33.20 H new ATOM 0 HZ3 LYS A 85 -5.583 16.142 6.825 1.00 33.20 H new ATOM 1429 N ASP A 86 -2.730 14.240 3.491 1.00 1.54 N ATOM 1430 CA ASP A 86 -1.366 14.778 3.374 1.00 12.33 C ATOM 1431 C ASP A 86 -0.856 14.793 1.917 1.00 53.23 C ATOM 1432 O ASP A 86 -0.070 15.672 1.556 1.00 51.13 O ATOM 1433 CB ASP A 86 -0.390 13.968 4.290 1.00 1.20 C ATOM 1434 CG ASP A 86 -0.386 14.442 5.761 1.00 64.22 C ATOM 1435 OD1 ASP A 86 0.376 15.380 6.099 1.00 15.44 O ATOM 1436 OD2 ASP A 86 -1.146 13.890 6.585 1.00 72.43 O ATOM 0 H ASP A 86 -2.776 13.361 4.007 1.00 1.54 H new ATOM 0 HA ASP A 86 -1.398 15.816 3.705 1.00 12.33 H new ATOM 0 HB2 ASP A 86 -0.665 12.914 4.257 1.00 1.20 H new ATOM 0 HB3 ASP A 86 0.621 14.046 3.889 1.00 1.20 H new ATOM 1441 N VAL A 87 -1.324 13.846 1.075 1.00 12.41 N ATOM 1442 CA VAL A 87 -0.843 13.725 -0.318 1.00 0.41 C ATOM 1443 C VAL A 87 -1.343 14.906 -1.207 1.00 54.50 C ATOM 1444 O VAL A 87 -0.959 15.022 -2.377 1.00 61.42 O ATOM 1445 CB VAL A 87 -1.204 12.311 -0.923 1.00 53.43 C ATOM 1446 CG1 VAL A 87 -2.678 12.214 -1.361 1.00 34.12 C ATOM 1447 CG2 VAL A 87 -0.248 11.916 -2.069 1.00 61.15 C ATOM 0 H VAL A 87 -2.031 13.158 1.334 1.00 12.41 H new ATOM 0 HA VAL A 87 0.245 13.795 -0.305 1.00 0.41 H new ATOM 0 HB VAL A 87 -1.068 11.590 -0.117 1.00 53.43 H new ATOM 0 HG11 VAL A 87 -2.872 11.222 -1.769 1.00 34.12 H new ATOM 0 HG12 VAL A 87 -3.325 12.385 -0.501 1.00 34.12 H new ATOM 0 HG13 VAL A 87 -2.881 12.966 -2.123 1.00 34.12 H new ATOM 0 HG21 VAL A 87 -0.530 10.938 -2.457 1.00 61.15 H new ATOM 0 HG22 VAL A 87 -0.312 12.656 -2.867 1.00 61.15 H new ATOM 0 HG23 VAL A 87 0.774 11.876 -1.693 1.00 61.15 H new