USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 436 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 10 ASN : amide:sc= 0.041 K(o=0.041,f=-4.2!) USER MOD Set 1.2: A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -3.6 X(o=-3.6,f=-4.1!) USER MOD Single : A 29 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.49) USER MOD Single : A 31 THR OG1 : rot -66:sc= 1.06 USER MOD Single : A 42 ASN : amide:sc= -0.021 X(o=-0.021,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.735 K(o=-0.74,f=-1.7) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -2.61 K(o=-2.6,f=-3.6!) USER MOD Single : A 63 LYS NZ :NH3+ 167:sc= -0.19 (180deg=-0.414) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 1.414 0.259 -3.481 1.00 5.42 N ATOM 19 CA LYS A 2 0.648 -0.160 -4.648 1.00 31.41 C ATOM 20 C LYS A 2 1.558 -0.347 -5.858 1.00 33.51 C ATOM 21 O LYS A 2 2.577 0.330 -5.992 1.00 52.33 O ATOM 22 CB LYS A 2 -0.438 0.869 -4.968 1.00 13.14 C ATOM 23 CG LYS A 2 -1.441 1.064 -3.844 1.00 34.12 C ATOM 24 CD LYS A 2 -2.139 -0.238 -3.487 1.00 24.12 C ATOM 25 CE LYS A 2 -3.463 0.014 -2.782 1.00 23.30 C ATOM 26 NZ LYS A 2 -4.604 0.042 -3.739 1.00 3.44 N ATOM 0 HA LYS A 2 0.177 -1.116 -4.418 1.00 31.41 H new ATOM 0 HB2 LYS A 2 0.034 1.825 -5.192 1.00 13.14 H new ATOM 0 HB3 LYS A 2 -0.969 0.557 -5.867 1.00 13.14 H new ATOM 0 HG2 LYS A 2 -0.931 1.458 -2.965 1.00 34.12 H new ATOM 0 HG3 LYS A 2 -2.182 1.806 -4.141 1.00 34.12 H new ATOM 0 HD2 LYS A 2 -2.313 -0.819 -4.393 1.00 24.12 H new ATOM 0 HD3 LYS A 2 -1.491 -0.835 -2.845 1.00 24.12 H new ATOM 0 HE2 LYS A 2 -3.632 -0.764 -2.038 1.00 23.30 H new ATOM 0 HE3 LYS A 2 -3.415 0.962 -2.246 1.00 23.30 H new ATOM 0 HZ1 LYS A 2 -5.488 0.216 -3.220 1.00 3.44 H new ATOM 0 HZ2 LYS A 2 -4.455 0.801 -4.434 1.00 3.44 H new ATOM 0 HZ3 LYS A 2 -4.666 -0.872 -4.232 1.00 3.44 H new ATOM 40 N LYS A 3 1.183 -1.270 -6.737 1.00 74.14 N ATOM 41 CA LYS A 3 1.963 -1.545 -7.938 1.00 55.03 C ATOM 42 C LYS A 3 1.062 -1.619 -9.167 1.00 53.30 C ATOM 43 O LYS A 3 0.015 -2.265 -9.144 1.00 23.13 O ATOM 44 CB LYS A 3 2.736 -2.856 -7.780 1.00 74.21 C ATOM 45 CG LYS A 3 3.442 -2.988 -6.442 1.00 61.21 C ATOM 46 CD LYS A 3 4.322 -4.226 -6.396 1.00 4.21 C ATOM 47 CE LYS A 3 5.567 -4.057 -7.253 1.00 42.34 C ATOM 48 NZ LYS A 3 6.009 -5.348 -7.850 1.00 42.51 N ATOM 0 H LYS A 3 0.343 -1.841 -6.640 1.00 74.14 H new ATOM 0 HA LYS A 3 2.671 -0.727 -8.076 1.00 55.03 H new ATOM 0 HB2 LYS A 3 2.047 -3.691 -7.902 1.00 74.21 H new ATOM 0 HB3 LYS A 3 3.473 -2.932 -8.579 1.00 74.21 H new ATOM 0 HG2 LYS A 3 4.050 -2.101 -6.261 1.00 61.21 H new ATOM 0 HG3 LYS A 3 2.703 -3.036 -5.643 1.00 61.21 H new ATOM 0 HD2 LYS A 3 4.613 -4.429 -5.365 1.00 4.21 H new ATOM 0 HD3 LYS A 3 3.755 -5.090 -6.743 1.00 4.21 H new ATOM 0 HE2 LYS A 3 5.366 -3.339 -8.048 1.00 42.34 H new ATOM 0 HE3 LYS A 3 6.372 -3.643 -6.646 1.00 42.34 H new ATOM 0 HZ1 LYS A 3 6.860 -5.190 -8.427 1.00 42.51 H new ATOM 0 HZ2 LYS A 3 6.226 -6.025 -7.091 1.00 42.51 H new ATOM 0 HZ3 LYS A 3 5.250 -5.731 -8.450 1.00 42.51 H new ATOM 62 N GLY A 4 1.477 -0.953 -10.241 1.00 13.35 N ATOM 63 CA GLY A 4 0.696 -0.957 -11.464 1.00 21.21 C ATOM 64 C GLY A 4 1.413 -0.273 -12.611 1.00 73.44 C ATOM 65 O GLY A 4 2.461 0.344 -12.420 1.00 22.41 O ATOM 0 H GLY A 4 2.340 -0.411 -10.285 1.00 13.35 H new ATOM 0 HA2 GLY A 4 0.469 -1.986 -11.743 1.00 21.21 H new ATOM 0 HA3 GLY A 4 -0.256 -0.458 -11.285 1.00 21.21 H new ATOM 69 N THR A 5 0.848 -0.383 -13.810 1.00 35.43 N ATOM 70 CA THR A 5 1.440 0.227 -14.993 1.00 63.42 C ATOM 71 C THR A 5 1.005 1.680 -15.139 1.00 2.31 C ATOM 72 O THR A 5 -0.142 2.027 -14.857 1.00 22.13 O ATOM 73 CB THR A 5 1.059 -0.542 -16.272 1.00 72.23 C ATOM 74 OG1 THR A 5 -0.366 -0.615 -16.394 1.00 11.41 O ATOM 75 CG2 THR A 5 1.643 -1.947 -16.254 1.00 43.41 C ATOM 0 H THR A 5 -0.020 -0.890 -13.986 1.00 35.43 H new ATOM 0 HA THR A 5 2.521 0.186 -14.862 1.00 63.42 H new ATOM 0 HB THR A 5 1.470 -0.005 -17.127 1.00 72.23 H new ATOM 0 HG1 THR A 5 -0.600 -1.104 -17.211 1.00 11.41 H new ATOM 0 HG21 THR A 5 1.360 -2.470 -17.167 1.00 43.41 H new ATOM 0 HG22 THR A 5 2.730 -1.889 -16.191 1.00 43.41 H new ATOM 0 HG23 THR A 5 1.258 -2.490 -15.391 1.00 43.41 H new ATOM 83 N VAL A 6 1.928 2.528 -15.582 1.00 64.12 N ATOM 84 CA VAL A 6 1.639 3.945 -15.767 1.00 63.13 C ATOM 85 C VAL A 6 0.852 4.182 -17.051 1.00 32.10 C ATOM 86 O VAL A 6 1.061 3.502 -18.056 1.00 21.12 O ATOM 87 CB VAL A 6 2.932 4.781 -15.810 1.00 24.35 C ATOM 88 CG1 VAL A 6 3.418 4.941 -17.242 1.00 51.50 C ATOM 89 CG2 VAL A 6 2.711 6.137 -15.157 1.00 40.15 C ATOM 0 H VAL A 6 2.883 2.258 -15.819 1.00 64.12 H new ATOM 0 HA VAL A 6 1.040 4.260 -14.913 1.00 63.13 H new ATOM 0 HB VAL A 6 3.703 4.255 -15.248 1.00 24.35 H new ATOM 0 HG11 VAL A 6 4.332 5.534 -17.252 1.00 51.50 H new ATOM 0 HG12 VAL A 6 3.618 3.959 -17.670 1.00 51.50 H new ATOM 0 HG13 VAL A 6 2.652 5.445 -17.832 1.00 51.50 H new ATOM 0 HG21 VAL A 6 3.635 6.715 -15.196 1.00 40.15 H new ATOM 0 HG22 VAL A 6 1.925 6.673 -15.689 1.00 40.15 H new ATOM 0 HG23 VAL A 6 2.415 5.996 -14.117 1.00 40.15 H new ATOM 99 N LYS A 7 -0.055 5.152 -17.011 1.00 75.13 N ATOM 100 CA LYS A 7 -0.875 5.482 -18.171 1.00 63.25 C ATOM 101 C LYS A 7 -0.306 6.686 -18.914 1.00 41.44 C ATOM 102 O LYS A 7 -0.447 6.799 -20.132 1.00 41.41 O ATOM 103 CB LYS A 7 -2.315 5.769 -17.740 1.00 24.32 C ATOM 104 CG LYS A 7 -3.313 5.726 -18.884 1.00 44.21 C ATOM 105 CD LYS A 7 -3.812 4.314 -19.136 1.00 35.53 C ATOM 106 CE LYS A 7 -2.942 3.587 -20.150 1.00 35.22 C ATOM 107 NZ LYS A 7 -3.695 2.516 -20.860 1.00 20.32 N ATOM 0 H LYS A 7 -0.241 5.724 -16.187 1.00 75.13 H new ATOM 0 HA LYS A 7 -0.869 4.625 -18.844 1.00 63.25 H new ATOM 0 HB2 LYS A 7 -2.611 5.042 -16.984 1.00 24.32 H new ATOM 0 HB3 LYS A 7 -2.356 6.752 -17.270 1.00 24.32 H new ATOM 0 HG2 LYS A 7 -4.158 6.376 -18.656 1.00 44.21 H new ATOM 0 HG3 LYS A 7 -2.847 6.115 -19.789 1.00 44.21 H new ATOM 0 HD2 LYS A 7 -3.822 3.758 -18.199 1.00 35.53 H new ATOM 0 HD3 LYS A 7 -4.840 4.349 -19.496 1.00 35.53 H new ATOM 0 HE2 LYS A 7 -2.556 4.302 -20.876 1.00 35.22 H new ATOM 0 HE3 LYS A 7 -2.081 3.151 -19.643 1.00 35.22 H new ATOM 0 HZ1 LYS A 7 -3.068 2.044 -21.542 1.00 20.32 H new ATOM 0 HZ2 LYS A 7 -4.042 1.820 -20.170 1.00 20.32 H new ATOM 0 HZ3 LYS A 7 -4.502 2.935 -21.364 1.00 20.32 H new ATOM 121 N TRP A 8 0.337 7.582 -18.174 1.00 43.14 N ATOM 122 CA TRP A 8 0.929 8.778 -18.764 1.00 72.34 C ATOM 123 C TRP A 8 1.677 9.590 -17.713 1.00 43.04 C ATOM 124 O TRP A 8 1.197 9.768 -16.594 1.00 32.11 O ATOM 125 CB TRP A 8 -0.154 9.639 -19.416 1.00 72.23 C ATOM 126 CG TRP A 8 -0.927 10.465 -18.434 1.00 14.42 C ATOM 127 CD1 TRP A 8 -0.546 11.656 -17.885 1.00 4.21 C ATOM 128 CD2 TRP A 8 -2.213 10.161 -17.883 1.00 14.33 C ATOM 129 NE1 TRP A 8 -1.517 12.111 -17.026 1.00 22.23 N ATOM 130 CE2 TRP A 8 -2.551 11.212 -17.007 1.00 45.34 C ATOM 131 CE3 TRP A 8 -3.114 9.105 -18.045 1.00 3.00 C ATOM 132 CZ2 TRP A 8 -3.748 11.234 -16.298 1.00 13.32 C ATOM 133 CZ3 TRP A 8 -4.302 9.128 -17.340 1.00 2.22 C ATOM 134 CH2 TRP A 8 -4.611 10.187 -16.476 1.00 0.13 C ATOM 0 H TRP A 8 0.462 7.503 -17.165 1.00 43.14 H new ATOM 0 HA TRP A 8 1.641 8.463 -19.527 1.00 72.34 H new ATOM 0 HB2 TRP A 8 0.309 10.299 -20.150 1.00 72.23 H new ATOM 0 HB3 TRP A 8 -0.844 8.993 -19.959 1.00 72.23 H new ATOM 0 HD1 TRP A 8 0.383 12.166 -18.095 1.00 4.21 H new ATOM 0 HE1 TRP A 8 -1.475 12.977 -16.489 1.00 22.23 H new ATOM 0 HE3 TRP A 8 -2.886 8.285 -18.710 1.00 3.00 H new ATOM 0 HZ2 TRP A 8 -3.988 12.049 -15.631 1.00 13.32 H new ATOM 0 HZ3 TRP A 8 -5.004 8.316 -17.457 1.00 2.22 H new ATOM 0 HH2 TRP A 8 -5.549 10.177 -15.940 1.00 0.13 H new ATOM 145 N PHE A 9 2.856 10.081 -18.081 1.00 2.34 N ATOM 146 CA PHE A 9 3.672 10.875 -17.168 1.00 75.33 C ATOM 147 C PHE A 9 4.224 12.113 -17.869 1.00 35.21 C ATOM 148 O PHE A 9 5.222 12.041 -18.584 1.00 21.13 O ATOM 149 CB PHE A 9 4.823 10.032 -16.615 1.00 73.03 C ATOM 150 CG PHE A 9 5.842 10.833 -15.856 1.00 55.34 C ATOM 151 CD1 PHE A 9 5.505 11.456 -14.665 1.00 23.40 C ATOM 152 CD2 PHE A 9 7.136 10.964 -16.334 1.00 75.22 C ATOM 153 CE1 PHE A 9 6.441 12.194 -13.965 1.00 52.23 C ATOM 154 CE2 PHE A 9 8.075 11.701 -15.639 1.00 25.25 C ATOM 155 CZ PHE A 9 7.728 12.316 -14.452 1.00 33.11 C ATOM 0 H PHE A 9 3.268 9.943 -19.004 1.00 2.34 H new ATOM 0 HA PHE A 9 3.039 11.199 -16.342 1.00 75.33 H new ATOM 0 HB2 PHE A 9 4.416 9.262 -15.960 1.00 73.03 H new ATOM 0 HB3 PHE A 9 5.317 9.520 -17.441 1.00 73.03 H new ATOM 0 HD1 PHE A 9 4.500 11.364 -14.280 1.00 23.40 H new ATOM 0 HD2 PHE A 9 7.414 10.484 -17.261 1.00 75.22 H new ATOM 0 HE1 PHE A 9 6.166 12.675 -13.038 1.00 52.23 H new ATOM 0 HE2 PHE A 9 9.080 11.796 -16.023 1.00 25.25 H new ATOM 0 HZ PHE A 9 8.461 12.891 -13.906 1.00 33.11 H new ATOM 165 N ASN A 10 3.565 13.248 -17.658 1.00 32.30 N ATOM 166 CA ASN A 10 3.988 14.502 -18.270 1.00 1.13 C ATOM 167 C ASN A 10 5.293 14.995 -17.652 1.00 42.24 C ATOM 168 O ASN A 10 5.288 15.690 -16.637 1.00 53.50 O ATOM 169 CB ASN A 10 2.900 15.566 -18.107 1.00 62.41 C ATOM 170 CG ASN A 10 2.949 16.615 -19.201 1.00 22.20 C ATOM 171 OD1 ASN A 10 4.000 17.196 -19.473 1.00 21.43 O ATOM 172 ND2 ASN A 10 1.809 16.862 -19.835 1.00 13.55 N ATOM 0 H ASN A 10 2.736 13.325 -17.068 1.00 32.30 H new ATOM 0 HA ASN A 10 4.154 14.321 -19.332 1.00 1.13 H new ATOM 0 HB2 ASN A 10 1.922 15.085 -18.112 1.00 62.41 H new ATOM 0 HB3 ASN A 10 3.012 16.051 -17.137 1.00 62.41 H new ATOM 0 HD21 ASN A 10 1.780 17.557 -20.581 1.00 13.55 H new ATOM 0 HD22 ASN A 10 0.962 16.356 -19.576 1.00 13.55 H new ATOM 179 N ALA A 11 6.410 14.630 -18.273 1.00 41.55 N ATOM 180 CA ALA A 11 7.723 15.038 -17.787 1.00 75.42 C ATOM 181 C ALA A 11 7.929 16.539 -17.957 1.00 24.11 C ATOM 182 O ALA A 11 8.627 17.171 -17.165 1.00 14.54 O ATOM 183 CB ALA A 11 8.816 14.267 -18.512 1.00 22.14 C ATOM 0 H ALA A 11 6.432 14.053 -19.114 1.00 41.55 H new ATOM 0 HA ALA A 11 7.777 14.809 -16.723 1.00 75.42 H new ATOM 0 HB1 ALA A 11 9.791 14.581 -18.140 1.00 22.14 H new ATOM 0 HB2 ALA A 11 8.687 13.199 -18.335 1.00 22.14 H new ATOM 0 HB3 ALA A 11 8.754 14.467 -19.582 1.00 22.14 H new ATOM 189 N GLU A 12 7.320 17.102 -18.995 1.00 53.04 N ATOM 190 CA GLU A 12 7.440 18.529 -19.269 1.00 15.32 C ATOM 191 C GLU A 12 6.790 19.352 -18.160 1.00 11.12 C ATOM 192 O GLU A 12 7.326 20.375 -17.735 1.00 2.55 O ATOM 193 CB GLU A 12 6.796 18.869 -20.615 1.00 10.23 C ATOM 194 CG GLU A 12 6.694 20.362 -20.881 1.00 65.43 C ATOM 195 CD GLU A 12 7.955 21.110 -20.495 1.00 1.44 C ATOM 196 OE1 GLU A 12 9.058 20.561 -20.698 1.00 51.30 O ATOM 197 OE2 GLU A 12 7.838 22.246 -19.989 1.00 1.23 O ATOM 0 H GLU A 12 6.739 16.592 -19.660 1.00 53.04 H new ATOM 0 HA GLU A 12 8.501 18.777 -19.309 1.00 15.32 H new ATOM 0 HB2 GLU A 12 7.376 18.405 -21.413 1.00 10.23 H new ATOM 0 HB3 GLU A 12 5.798 18.433 -20.651 1.00 10.23 H new ATOM 0 HG2 GLU A 12 6.488 20.526 -21.939 1.00 65.43 H new ATOM 0 HG3 GLU A 12 5.850 20.770 -20.325 1.00 65.43 H new ATOM 204 N LYS A 13 5.631 18.898 -17.696 1.00 32.32 N ATOM 205 CA LYS A 13 4.906 19.589 -16.636 1.00 43.31 C ATOM 206 C LYS A 13 5.438 19.190 -15.263 1.00 71.23 C ATOM 207 O LYS A 13 5.543 20.020 -14.362 1.00 11.31 O ATOM 208 CB LYS A 13 3.411 19.278 -16.726 1.00 14.32 C ATOM 209 CG LYS A 13 2.762 19.773 -18.007 1.00 63.02 C ATOM 210 CD LYS A 13 2.072 21.111 -17.802 1.00 72.14 C ATOM 211 CE LYS A 13 2.052 21.930 -19.084 1.00 74.30 C ATOM 212 NZ LYS A 13 3.301 22.722 -19.256 1.00 31.31 N ATOM 0 H LYS A 13 5.173 18.053 -18.038 1.00 32.32 H new ATOM 0 HA LYS A 13 5.056 20.661 -16.766 1.00 43.31 H new ATOM 0 HB2 LYS A 13 3.268 18.200 -16.649 1.00 14.32 H new ATOM 0 HB3 LYS A 13 2.903 19.729 -15.874 1.00 14.32 H new ATOM 0 HG2 LYS A 13 3.519 19.868 -18.786 1.00 63.02 H new ATOM 0 HG3 LYS A 13 2.036 19.038 -18.356 1.00 63.02 H new ATOM 0 HD2 LYS A 13 1.051 20.946 -17.458 1.00 72.14 H new ATOM 0 HD3 LYS A 13 2.585 21.670 -17.020 1.00 72.14 H new ATOM 0 HE2 LYS A 13 1.923 21.265 -19.938 1.00 74.30 H new ATOM 0 HE3 LYS A 13 1.194 22.603 -19.072 1.00 74.30 H new ATOM 0 HZ1 LYS A 13 3.248 23.266 -20.141 1.00 31.31 H new ATOM 0 HZ2 LYS A 13 3.411 23.375 -18.454 1.00 31.31 H new ATOM 0 HZ3 LYS A 13 4.117 22.079 -19.293 1.00 31.31 H new ATOM 226 N GLY A 14 5.774 17.912 -15.112 1.00 55.03 N ATOM 227 CA GLY A 14 6.292 17.426 -13.847 1.00 34.31 C ATOM 228 C GLY A 14 5.248 16.676 -13.043 1.00 61.51 C ATOM 229 O GLY A 14 5.321 16.622 -11.815 1.00 54.12 O ATOM 0 H GLY A 14 5.697 17.205 -15.843 1.00 55.03 H new ATOM 0 HA2 GLY A 14 7.142 16.770 -14.034 1.00 34.31 H new ATOM 0 HA3 GLY A 14 6.661 18.268 -13.262 1.00 34.31 H new ATOM 233 N TYR A 15 4.274 16.096 -13.736 1.00 22.00 N ATOM 234 CA TYR A 15 3.209 15.349 -13.078 1.00 73.35 C ATOM 235 C TYR A 15 2.846 14.100 -13.877 1.00 51.41 C ATOM 236 O TYR A 15 3.273 13.934 -15.019 1.00 23.34 O ATOM 237 CB TYR A 15 1.972 16.232 -12.901 1.00 63.42 C ATOM 238 CG TYR A 15 1.168 16.409 -14.169 1.00 43.34 C ATOM 239 CD1 TYR A 15 0.190 15.490 -14.529 1.00 43.24 C ATOM 240 CD2 TYR A 15 1.387 17.495 -15.008 1.00 1.21 C ATOM 241 CE1 TYR A 15 -0.546 15.648 -15.687 1.00 74.14 C ATOM 242 CE2 TYR A 15 0.654 17.662 -16.167 1.00 22.31 C ATOM 243 CZ TYR A 15 -0.311 16.735 -16.503 1.00 11.45 C ATOM 244 OH TYR A 15 -1.042 16.897 -17.657 1.00 73.00 O ATOM 0 H TYR A 15 4.200 16.129 -14.753 1.00 22.00 H new ATOM 0 HA TYR A 15 3.569 15.039 -12.097 1.00 73.35 H new ATOM 0 HB2 TYR A 15 1.332 15.797 -12.133 1.00 63.42 H new ATOM 0 HB3 TYR A 15 2.284 17.212 -12.539 1.00 63.42 H new ATOM 0 HD1 TYR A 15 0.002 14.638 -13.893 1.00 43.24 H new ATOM 0 HD2 TYR A 15 2.143 18.221 -14.749 1.00 1.21 H new ATOM 0 HE1 TYR A 15 -1.302 14.924 -15.952 1.00 74.14 H new ATOM 0 HE2 TYR A 15 0.835 18.513 -16.806 1.00 22.31 H new ATOM 0 HH TYR A 15 -0.753 17.713 -18.116 1.00 73.00 H new ATOM 254 N GLY A 16 2.052 13.225 -13.267 1.00 5.12 N ATOM 255 CA GLY A 16 1.644 12.003 -13.934 1.00 51.14 C ATOM 256 C GLY A 16 0.605 11.231 -13.146 1.00 21.14 C ATOM 257 O GLY A 16 0.281 11.590 -12.014 1.00 10.54 O ATOM 0 H GLY A 16 1.684 13.341 -12.323 1.00 5.12 H new ATOM 0 HA2 GLY A 16 1.242 12.246 -14.918 1.00 51.14 H new ATOM 0 HA3 GLY A 16 2.518 11.371 -14.094 1.00 51.14 H new ATOM 261 N PHE A 17 0.080 10.167 -13.745 1.00 11.25 N ATOM 262 CA PHE A 17 -0.931 9.344 -13.092 1.00 21.55 C ATOM 263 C PHE A 17 -0.717 7.866 -13.409 1.00 4.43 C ATOM 264 O PHE A 17 -0.584 7.483 -14.571 1.00 43.44 O ATOM 265 CB PHE A 17 -2.332 9.773 -13.532 1.00 2.32 C ATOM 266 CG PHE A 17 -2.764 11.091 -12.954 1.00 61.22 C ATOM 267 CD1 PHE A 17 -2.331 12.282 -13.513 1.00 41.51 C ATOM 268 CD2 PHE A 17 -3.603 11.138 -11.853 1.00 33.41 C ATOM 269 CE1 PHE A 17 -2.726 13.496 -12.983 1.00 14.00 C ATOM 270 CE2 PHE A 17 -4.002 12.348 -11.319 1.00 15.33 C ATOM 271 CZ PHE A 17 -3.564 13.529 -11.885 1.00 51.13 C ATOM 0 H PHE A 17 0.338 9.855 -14.681 1.00 11.25 H new ATOM 0 HA PHE A 17 -0.837 9.485 -12.015 1.00 21.55 H new ATOM 0 HB2 PHE A 17 -2.359 9.836 -14.620 1.00 2.32 H new ATOM 0 HB3 PHE A 17 -3.048 9.005 -13.239 1.00 2.32 H new ATOM 0 HD1 PHE A 17 -1.677 12.262 -14.373 1.00 41.51 H new ATOM 0 HD2 PHE A 17 -3.949 10.218 -11.407 1.00 33.41 H new ATOM 0 HE1 PHE A 17 -2.380 14.418 -13.427 1.00 14.00 H new ATOM 0 HE2 PHE A 17 -4.656 12.370 -10.460 1.00 15.33 H new ATOM 0 HZ PHE A 17 -3.876 14.476 -11.470 1.00 51.13 H new ATOM 281 N ILE A 18 -0.684 7.043 -12.367 1.00 22.53 N ATOM 282 CA ILE A 18 -0.486 5.608 -12.534 1.00 13.13 C ATOM 283 C ILE A 18 -1.818 4.865 -12.522 1.00 22.21 C ATOM 284 O ILE A 18 -2.753 5.259 -11.826 1.00 21.23 O ATOM 285 CB ILE A 18 0.420 5.032 -11.430 1.00 10.34 C ATOM 286 CG1 ILE A 18 1.775 5.744 -11.429 1.00 34.22 C ATOM 287 CG2 ILE A 18 0.603 3.534 -11.622 1.00 14.21 C ATOM 288 CD1 ILE A 18 2.479 5.700 -10.091 1.00 42.20 C ATOM 0 H ILE A 18 -0.792 7.344 -11.399 1.00 22.53 H new ATOM 0 HA ILE A 18 -0.002 5.466 -13.500 1.00 13.13 H new ATOM 0 HB ILE A 18 -0.058 5.199 -10.465 1.00 10.34 H new ATOM 0 HG12 ILE A 18 2.416 5.288 -12.183 1.00 34.22 H new ATOM 0 HG13 ILE A 18 1.630 6.784 -11.720 1.00 34.22 H new ATOM 0 HG21 ILE A 18 1.246 3.142 -10.834 1.00 14.21 H new ATOM 0 HG22 ILE A 18 -0.368 3.040 -11.578 1.00 14.21 H new ATOM 0 HG23 ILE A 18 1.062 3.345 -12.592 1.00 14.21 H new ATOM 0 HD11 ILE A 18 3.432 6.224 -10.164 1.00 42.20 H new ATOM 0 HD12 ILE A 18 1.857 6.182 -9.337 1.00 42.20 H new ATOM 0 HD13 ILE A 18 2.656 4.663 -9.807 1.00 42.20 H new ATOM 300 N GLN A 19 -1.894 3.787 -13.296 1.00 15.11 N ATOM 301 CA GLN A 19 -3.112 2.988 -13.373 1.00 64.23 C ATOM 302 C GLN A 19 -2.840 1.542 -12.970 1.00 11.32 C ATOM 303 O GLN A 19 -1.986 0.876 -13.554 1.00 33.33 O ATOM 304 CB GLN A 19 -3.689 3.035 -14.789 1.00 64.22 C ATOM 305 CG GLN A 19 -4.657 4.185 -15.014 1.00 33.45 C ATOM 306 CD GLN A 19 -4.468 5.310 -14.016 1.00 35.05 C ATOM 307 OE1 GLN A 19 -5.085 5.320 -12.949 1.00 64.34 O ATOM 308 NE2 GLN A 19 -3.613 6.267 -14.356 1.00 60.45 N ATOM 0 H GLN A 19 -1.128 3.447 -13.878 1.00 15.11 H new ATOM 0 HA GLN A 19 -3.838 3.410 -12.678 1.00 64.23 H new ATOM 0 HB2 GLN A 19 -2.870 3.116 -15.504 1.00 64.22 H new ATOM 0 HB3 GLN A 19 -4.201 2.095 -14.995 1.00 64.22 H new ATOM 0 HG2 GLN A 19 -4.525 4.574 -16.024 1.00 33.45 H new ATOM 0 HG3 GLN A 19 -5.679 3.813 -14.947 1.00 33.45 H new ATOM 0 HE21 GLN A 19 -3.123 6.219 -15.249 1.00 60.45 H new ATOM 0 HE22 GLN A 19 -3.446 7.050 -13.724 1.00 60.45 H new ATOM 385 N ASP A 25 -6.869 6.160 -9.465 1.00 14.53 N ATOM 386 CA ASP A 25 -6.462 7.542 -9.694 1.00 20.21 C ATOM 387 C ASP A 25 -5.451 7.992 -8.644 1.00 32.44 C ATOM 388 O ASP A 25 -5.824 8.420 -7.551 1.00 60.32 O ATOM 389 CB ASP A 25 -7.681 8.465 -9.675 1.00 0.41 C ATOM 390 CG ASP A 25 -8.699 8.058 -8.628 1.00 55.43 C ATOM 391 OD1 ASP A 25 -8.287 7.554 -7.563 1.00 4.03 O ATOM 392 OD2 ASP A 25 -9.909 8.245 -8.874 1.00 53.12 O ATOM 0 HA ASP A 25 -5.989 7.598 -10.675 1.00 20.21 H new ATOM 0 HB2 ASP A 25 -7.356 9.488 -9.483 1.00 0.41 H new ATOM 0 HB3 ASP A 25 -8.153 8.459 -10.658 1.00 0.41 H new ATOM 397 N VAL A 26 -4.170 7.890 -8.981 1.00 45.45 N ATOM 398 CA VAL A 26 -3.104 8.287 -8.068 1.00 35.30 C ATOM 399 C VAL A 26 -2.351 9.502 -8.596 1.00 50.05 C ATOM 400 O VAL A 26 -2.060 9.595 -9.789 1.00 41.21 O ATOM 401 CB VAL A 26 -2.106 7.137 -7.838 1.00 45.02 C ATOM 402 CG1 VAL A 26 -1.124 7.043 -8.996 1.00 71.35 C ATOM 403 CG2 VAL A 26 -1.370 7.326 -6.520 1.00 35.01 C ATOM 0 H VAL A 26 -3.844 7.536 -9.880 1.00 45.45 H new ATOM 0 HA VAL A 26 -3.578 8.542 -7.120 1.00 35.30 H new ATOM 0 HB VAL A 26 -2.663 6.201 -7.787 1.00 45.02 H new ATOM 0 HG11 VAL A 26 -0.427 6.225 -8.816 1.00 71.35 H new ATOM 0 HG12 VAL A 26 -1.669 6.858 -9.921 1.00 71.35 H new ATOM 0 HG13 VAL A 26 -0.571 7.979 -9.081 1.00 71.35 H new ATOM 0 HG21 VAL A 26 -0.669 6.504 -6.374 1.00 35.01 H new ATOM 0 HG22 VAL A 26 -0.824 8.269 -6.540 1.00 35.01 H new ATOM 0 HG23 VAL A 26 -2.089 7.340 -5.701 1.00 35.01 H new ATOM 413 N PHE A 27 -2.037 10.432 -7.701 1.00 12.22 N ATOM 414 CA PHE A 27 -1.317 11.643 -8.077 1.00 13.44 C ATOM 415 C PHE A 27 0.183 11.475 -7.856 1.00 62.12 C ATOM 416 O PHE A 27 0.641 11.305 -6.726 1.00 51.50 O ATOM 417 CB PHE A 27 -1.831 12.838 -7.271 1.00 54.42 C ATOM 418 CG PHE A 27 -1.766 14.139 -8.020 1.00 74.21 C ATOM 419 CD1 PHE A 27 -0.610 14.514 -8.684 1.00 4.11 C ATOM 420 CD2 PHE A 27 -2.862 14.986 -8.060 1.00 10.12 C ATOM 421 CE1 PHE A 27 -0.546 15.710 -9.374 1.00 75.13 C ATOM 422 CE2 PHE A 27 -2.805 16.183 -8.749 1.00 21.31 C ATOM 423 CZ PHE A 27 -1.645 16.546 -9.406 1.00 34.31 C ATOM 0 H PHE A 27 -2.270 10.370 -6.710 1.00 12.22 H new ATOM 0 HA PHE A 27 -1.492 11.825 -9.137 1.00 13.44 H new ATOM 0 HB2 PHE A 27 -2.863 12.650 -6.975 1.00 54.42 H new ATOM 0 HB3 PHE A 27 -1.247 12.926 -6.355 1.00 54.42 H new ATOM 0 HD1 PHE A 27 0.252 13.864 -8.662 1.00 4.11 H new ATOM 0 HD2 PHE A 27 -3.771 14.708 -7.547 1.00 10.12 H new ATOM 0 HE1 PHE A 27 0.362 15.990 -9.887 1.00 75.13 H new ATOM 0 HE2 PHE A 27 -3.666 16.834 -8.774 1.00 21.31 H new ATOM 0 HZ PHE A 27 -1.598 17.482 -9.943 1.00 34.31 H new ATOM 433 N VAL A 28 0.944 11.522 -8.945 1.00 62.01 N ATOM 434 CA VAL A 28 2.393 11.375 -8.872 1.00 50.22 C ATOM 435 C VAL A 28 3.098 12.530 -9.574 1.00 44.03 C ATOM 436 O VAL A 28 2.633 13.023 -10.602 1.00 41.14 O ATOM 437 CB VAL A 28 2.855 10.047 -9.501 1.00 51.33 C ATOM 438 CG1 VAL A 28 1.822 8.956 -9.264 1.00 50.14 C ATOM 439 CG2 VAL A 28 3.121 10.227 -10.988 1.00 64.12 C ATOM 0 H VAL A 28 0.581 11.661 -9.888 1.00 62.01 H new ATOM 0 HA VAL A 28 2.659 11.379 -7.815 1.00 50.22 H new ATOM 0 HB VAL A 28 3.786 9.742 -9.023 1.00 51.33 H new ATOM 0 HG11 VAL A 28 2.166 8.025 -9.715 1.00 50.14 H new ATOM 0 HG12 VAL A 28 1.685 8.811 -8.192 1.00 50.14 H new ATOM 0 HG13 VAL A 28 0.874 9.249 -9.714 1.00 50.14 H new ATOM 0 HG21 VAL A 28 3.447 9.279 -11.417 1.00 64.12 H new ATOM 0 HG22 VAL A 28 2.207 10.555 -11.484 1.00 64.12 H new ATOM 0 HG23 VAL A 28 3.900 10.976 -11.130 1.00 64.12 H new ATOM 449 N HIS A 29 4.225 12.957 -9.013 1.00 12.43 N ATOM 450 CA HIS A 29 4.996 14.055 -9.586 1.00 24.43 C ATOM 451 C HIS A 29 6.391 13.586 -9.989 1.00 21.43 C ATOM 452 O HIS A 29 6.886 12.575 -9.489 1.00 10.12 O ATOM 453 CB HIS A 29 5.102 15.208 -8.587 1.00 60.32 C ATOM 454 CG HIS A 29 4.062 16.268 -8.784 1.00 63.40 C ATOM 455 ND1 HIS A 29 4.371 17.596 -8.986 1.00 11.30 N ATOM 456 CD2 HIS A 29 2.711 16.188 -8.811 1.00 3.42 C ATOM 457 CE1 HIS A 29 3.255 18.289 -9.127 1.00 33.23 C ATOM 458 NE2 HIS A 29 2.233 17.458 -9.025 1.00 22.31 N ATOM 0 H HIS A 29 4.625 12.560 -8.163 1.00 12.43 H new ATOM 0 HA HIS A 29 4.477 14.404 -10.478 1.00 24.43 H new ATOM 0 HB2 HIS A 29 5.017 14.811 -7.576 1.00 60.32 H new ATOM 0 HB3 HIS A 29 6.090 15.660 -8.670 1.00 60.32 H new ATOM 0 HD2 HIS A 29 2.119 15.293 -8.687 1.00 3.42 H new ATOM 0 HE1 HIS A 29 3.189 19.354 -9.297 1.00 33.23 H new ATOM 0 HE2 HIS A 29 1.249 17.717 -9.094 1.00 22.31 H new ATOM 466 N PHE A 30 7.020 14.326 -10.896 1.00 72.41 N ATOM 467 CA PHE A 30 8.357 13.984 -11.368 1.00 11.44 C ATOM 468 C PHE A 30 9.334 13.876 -10.201 1.00 0.34 C ATOM 469 O PHE A 30 10.348 13.182 -10.286 1.00 53.20 O ATOM 470 CB PHE A 30 8.851 15.033 -12.366 1.00 65.12 C ATOM 471 CG PHE A 30 9.406 16.267 -11.714 1.00 43.01 C ATOM 472 CD1 PHE A 30 8.572 17.317 -11.366 1.00 44.31 C ATOM 473 CD2 PHE A 30 10.762 16.377 -11.450 1.00 20.13 C ATOM 474 CE1 PHE A 30 9.080 18.454 -10.766 1.00 13.24 C ATOM 475 CE2 PHE A 30 11.275 17.511 -10.849 1.00 51.11 C ATOM 476 CZ PHE A 30 10.433 18.551 -10.508 1.00 10.53 C ATOM 0 H PHE A 30 6.626 15.166 -11.319 1.00 72.41 H new ATOM 0 HA PHE A 30 8.304 13.015 -11.865 1.00 11.44 H new ATOM 0 HB2 PHE A 30 9.620 14.588 -12.997 1.00 65.12 H new ATOM 0 HB3 PHE A 30 8.027 15.317 -13.020 1.00 65.12 H new ATOM 0 HD1 PHE A 30 7.513 17.246 -11.566 1.00 44.31 H new ATOM 0 HD2 PHE A 30 11.425 15.568 -11.717 1.00 20.13 H new ATOM 0 HE1 PHE A 30 8.419 19.266 -10.499 1.00 13.24 H new ATOM 0 HE2 PHE A 30 12.333 17.584 -10.646 1.00 51.11 H new ATOM 0 HZ PHE A 30 10.832 19.439 -10.040 1.00 10.53 H new ATOM 486 N THR A 31 9.022 14.569 -9.109 1.00 63.24 N ATOM 487 CA THR A 31 9.872 14.553 -7.926 1.00 1.15 C ATOM 488 C THR A 31 9.419 13.485 -6.937 1.00 73.44 C ATOM 489 O THR A 31 9.718 13.561 -5.746 1.00 73.41 O ATOM 490 CB THR A 31 9.876 15.922 -7.218 1.00 70.45 C ATOM 491 OG1 THR A 31 9.463 16.945 -8.130 1.00 52.34 O ATOM 492 CG2 THR A 31 11.260 16.247 -6.676 1.00 74.32 C ATOM 0 H THR A 31 8.187 15.148 -9.021 1.00 63.24 H new ATOM 0 HA THR A 31 10.882 14.325 -8.267 1.00 1.15 H new ATOM 0 HB THR A 31 9.178 15.877 -6.382 1.00 70.45 H new ATOM 0 HG1 THR A 31 10.133 17.042 -8.838 1.00 52.34 H new ATOM 0 HG21 THR A 31 11.238 17.218 -6.181 1.00 74.32 H new ATOM 0 HG22 THR A 31 11.560 15.481 -5.961 1.00 74.32 H new ATOM 0 HG23 THR A 31 11.975 16.275 -7.498 1.00 74.32 H new ATOM 500 N ALA A 32 8.696 12.489 -7.440 1.00 20.11 N ATOM 501 CA ALA A 32 8.204 11.403 -6.601 1.00 52.22 C ATOM 502 C ALA A 32 8.700 10.052 -7.105 1.00 3.14 C ATOM 503 O ALA A 32 8.404 9.013 -6.515 1.00 23.43 O ATOM 504 CB ALA A 32 6.683 11.423 -6.550 1.00 43.32 C ATOM 0 H ALA A 32 8.438 12.412 -8.424 1.00 20.11 H new ATOM 0 HA ALA A 32 8.593 11.551 -5.593 1.00 52.22 H new ATOM 0 HB1 ALA A 32 6.329 10.607 -5.920 1.00 43.32 H new ATOM 0 HB2 ALA A 32 6.345 12.373 -6.136 1.00 43.32 H new ATOM 0 HB3 ALA A 32 6.284 11.303 -7.557 1.00 43.32 H new ATOM 510 N ILE A 33 9.455 10.074 -8.198 1.00 3.43 N ATOM 511 CA ILE A 33 9.993 8.851 -8.780 1.00 34.35 C ATOM 512 C ILE A 33 11.393 8.559 -8.250 1.00 75.20 C ATOM 513 O ILE A 33 12.262 9.430 -8.255 1.00 30.54 O ATOM 514 CB ILE A 33 10.044 8.934 -10.317 1.00 23.45 C ATOM 515 CG1 ILE A 33 8.632 9.063 -10.890 1.00 34.11 C ATOM 516 CG2 ILE A 33 10.745 7.711 -10.890 1.00 35.54 C ATOM 517 CD1 ILE A 33 8.151 10.493 -10.995 1.00 13.21 C ATOM 0 H ILE A 33 9.708 10.926 -8.699 1.00 3.43 H new ATOM 0 HA ILE A 33 9.322 8.042 -8.490 1.00 34.35 H new ATOM 0 HB ILE A 33 10.612 9.820 -10.600 1.00 23.45 H new ATOM 0 HG12 ILE A 33 8.607 8.606 -11.879 1.00 34.11 H new ATOM 0 HG13 ILE A 33 7.941 8.501 -10.262 1.00 34.11 H new ATOM 0 HG21 ILE A 33 10.773 7.784 -11.977 1.00 35.54 H new ATOM 0 HG22 ILE A 33 11.763 7.660 -10.503 1.00 35.54 H new ATOM 0 HG23 ILE A 33 10.202 6.811 -10.601 1.00 35.54 H new ATOM 0 HD11 ILE A 33 7.143 10.508 -11.409 1.00 13.21 H new ATOM 0 HD12 ILE A 33 8.143 10.948 -10.005 1.00 13.21 H new ATOM 0 HD13 ILE A 33 8.820 11.055 -11.647 1.00 13.21 H new ATOM 529 N GLU A 34 11.603 7.327 -7.796 1.00 12.21 N ATOM 530 CA GLU A 34 12.898 6.921 -7.264 1.00 62.41 C ATOM 531 C GLU A 34 13.526 5.834 -8.132 1.00 71.21 C ATOM 532 O GLU A 34 13.365 4.643 -7.867 1.00 75.14 O ATOM 533 CB GLU A 34 12.749 6.418 -5.827 1.00 22.14 C ATOM 534 CG GLU A 34 11.872 7.305 -4.959 1.00 41.23 C ATOM 535 CD GLU A 34 12.545 7.698 -3.658 1.00 71.43 C ATOM 536 OE1 GLU A 34 12.454 6.919 -2.686 1.00 24.11 O ATOM 537 OE2 GLU A 34 13.161 8.782 -3.612 1.00 43.50 O ATOM 0 H GLU A 34 10.894 6.594 -7.786 1.00 12.21 H new ATOM 0 HA GLU A 34 13.554 7.792 -7.270 1.00 62.41 H new ATOM 0 HB2 GLU A 34 12.329 5.412 -5.845 1.00 22.14 H new ATOM 0 HB3 GLU A 34 13.737 6.343 -5.373 1.00 22.14 H new ATOM 0 HG2 GLU A 34 11.610 8.205 -5.515 1.00 41.23 H new ATOM 0 HG3 GLU A 34 10.940 6.784 -4.739 1.00 41.23 H new ATOM 650 N ASN A 42 7.859 5.462 -17.943 1.00 30.41 N ATOM 651 CA ASN A 42 7.587 5.116 -19.333 1.00 52.35 C ATOM 652 C ASN A 42 6.138 4.672 -19.510 1.00 60.11 C ATOM 653 O ASN A 42 5.667 3.771 -18.818 1.00 34.35 O ATOM 654 CB ASN A 42 8.533 4.008 -19.800 1.00 35.31 C ATOM 655 CG ASN A 42 9.983 4.449 -19.803 1.00 25.33 C ATOM 656 OD1 ASN A 42 10.521 4.845 -20.837 1.00 4.03 O ATOM 657 ND2 ASN A 42 10.624 4.381 -18.642 1.00 4.24 N ATOM 0 HA ASN A 42 7.752 6.005 -19.941 1.00 52.35 H new ATOM 0 HB2 ASN A 42 8.421 3.141 -19.149 1.00 35.31 H new ATOM 0 HB3 ASN A 42 8.250 3.692 -20.804 1.00 35.31 H new ATOM 0 HD21 ASN A 42 11.602 4.663 -18.582 1.00 4.24 H new ATOM 0 HD22 ASN A 42 10.138 4.046 -17.810 1.00 4.24 H new ATOM 664 N GLU A 43 5.438 5.311 -20.442 1.00 62.25 N ATOM 665 CA GLU A 43 4.043 4.981 -20.710 1.00 21.05 C ATOM 666 C GLU A 43 3.901 3.523 -21.137 1.00 40.02 C ATOM 667 O GLU A 43 4.450 3.107 -22.157 1.00 2.44 O ATOM 668 CB GLU A 43 3.477 5.900 -21.795 1.00 24.44 C ATOM 669 CG GLU A 43 2.064 5.540 -22.220 1.00 53.40 C ATOM 670 CD GLU A 43 1.603 6.323 -23.435 1.00 23.14 C ATOM 671 OE1 GLU A 43 2.209 7.375 -23.728 1.00 34.13 O ATOM 672 OE2 GLU A 43 0.637 5.882 -24.092 1.00 42.21 O ATOM 0 H GLU A 43 5.814 6.060 -21.024 1.00 62.25 H new ATOM 0 HA GLU A 43 3.478 5.128 -19.789 1.00 21.05 H new ATOM 0 HB2 GLU A 43 3.487 6.927 -21.431 1.00 24.44 H new ATOM 0 HB3 GLU A 43 4.130 5.864 -22.667 1.00 24.44 H new ATOM 0 HG2 GLU A 43 2.015 4.473 -22.440 1.00 53.40 H new ATOM 0 HG3 GLU A 43 1.381 5.726 -21.391 1.00 53.40 H new ATOM 679 N GLY A 44 3.160 2.751 -20.349 1.00 34.52 N ATOM 680 CA GLY A 44 2.959 1.348 -20.661 1.00 73.32 C ATOM 681 C GLY A 44 3.903 0.442 -19.896 1.00 1.33 C ATOM 682 O GLY A 44 3.947 -0.764 -20.136 1.00 1.22 O ATOM 0 H GLY A 44 2.695 3.072 -19.500 1.00 34.52 H new ATOM 0 HA2 GLY A 44 1.930 1.072 -20.431 1.00 73.32 H new ATOM 0 HA3 GLY A 44 3.099 1.193 -21.731 1.00 73.32 H new ATOM 686 N GLU A 45 4.662 1.025 -18.973 1.00 13.52 N ATOM 687 CA GLU A 45 5.612 0.262 -18.172 1.00 13.31 C ATOM 688 C GLU A 45 5.085 0.055 -16.755 1.00 24.04 C ATOM 689 O GLU A 45 4.224 0.799 -16.285 1.00 51.21 O ATOM 690 CB GLU A 45 6.964 0.977 -18.126 1.00 70.32 C ATOM 691 CG GLU A 45 8.034 0.207 -17.370 1.00 13.22 C ATOM 692 CD GLU A 45 9.405 0.844 -17.489 1.00 14.13 C ATOM 693 OE1 GLU A 45 9.976 0.822 -18.599 1.00 34.21 O ATOM 694 OE2 GLU A 45 9.906 1.365 -16.471 1.00 3.35 O ATOM 0 H GLU A 45 4.637 2.023 -18.762 1.00 13.52 H new ATOM 0 HA GLU A 45 5.741 -0.714 -18.639 1.00 13.31 H new ATOM 0 HB2 GLU A 45 7.307 1.153 -19.145 1.00 70.32 H new ATOM 0 HB3 GLU A 45 6.833 1.954 -17.660 1.00 70.32 H new ATOM 0 HG2 GLU A 45 7.756 0.145 -16.318 1.00 13.22 H new ATOM 0 HG3 GLU A 45 8.078 -0.814 -17.749 1.00 13.22 H new ATOM 701 N HIS A 46 5.609 -0.962 -16.078 1.00 25.11 N ATOM 702 CA HIS A 46 5.193 -1.268 -14.714 1.00 22.31 C ATOM 703 C HIS A 46 6.016 -0.475 -13.704 1.00 1.54 C ATOM 704 O HIS A 46 7.219 -0.283 -13.881 1.00 22.11 O ATOM 705 CB HIS A 46 5.334 -2.766 -14.439 1.00 55.24 C ATOM 706 CG HIS A 46 4.896 -3.628 -15.583 1.00 62.03 C ATOM 707 ND1 HIS A 46 3.652 -4.220 -15.647 1.00 43.21 N ATOM 708 CD2 HIS A 46 5.545 -3.996 -16.713 1.00 54.21 C ATOM 709 CE1 HIS A 46 3.555 -4.916 -16.766 1.00 1.32 C ATOM 710 NE2 HIS A 46 4.690 -4.796 -17.431 1.00 10.20 N ATOM 0 H HIS A 46 6.322 -1.588 -16.452 1.00 25.11 H new ATOM 0 HA HIS A 46 4.146 -0.983 -14.608 1.00 22.31 H new ATOM 0 HB2 HIS A 46 6.375 -2.988 -14.205 1.00 55.24 H new ATOM 0 HB3 HIS A 46 4.748 -3.022 -13.556 1.00 55.24 H new ATOM 0 HD2 HIS A 46 6.548 -3.713 -16.997 1.00 54.21 H new ATOM 0 HE1 HIS A 46 2.694 -5.486 -17.083 1.00 1.32 H new ATOM 0 HE2 HIS A 46 4.898 -5.227 -18.332 1.00 10.20 H new ATOM 718 N VAL A 47 5.359 -0.014 -12.644 1.00 21.03 N ATOM 719 CA VAL A 47 6.030 0.759 -11.605 1.00 34.30 C ATOM 720 C VAL A 47 5.246 0.718 -10.298 1.00 1.42 C ATOM 721 O VAL A 47 4.018 0.789 -10.297 1.00 74.23 O ATOM 722 CB VAL A 47 6.220 2.226 -12.032 1.00 12.42 C ATOM 723 CG1 VAL A 47 7.385 2.354 -13.001 1.00 5.24 C ATOM 724 CG2 VAL A 47 4.941 2.771 -12.649 1.00 14.30 C ATOM 0 H VAL A 47 4.363 -0.162 -12.482 1.00 21.03 H new ATOM 0 HA VAL A 47 7.009 0.304 -11.453 1.00 34.30 H new ATOM 0 HB VAL A 47 6.450 2.817 -11.145 1.00 12.42 H new ATOM 0 HG11 VAL A 47 7.504 3.398 -13.291 1.00 5.24 H new ATOM 0 HG12 VAL A 47 8.299 2.005 -12.520 1.00 5.24 H new ATOM 0 HG13 VAL A 47 7.189 1.751 -13.887 1.00 5.24 H new ATOM 0 HG21 VAL A 47 5.093 3.809 -12.945 1.00 14.30 H new ATOM 0 HG22 VAL A 47 4.679 2.178 -13.525 1.00 14.30 H new ATOM 0 HG23 VAL A 47 4.133 2.717 -11.919 1.00 14.30 H new ATOM 734 N GLU A 48 5.966 0.605 -9.186 1.00 11.21 N ATOM 735 CA GLU A 48 5.337 0.555 -7.871 1.00 51.33 C ATOM 736 C GLU A 48 5.349 1.930 -7.210 1.00 1.42 C ATOM 737 O GLU A 48 6.402 2.552 -7.063 1.00 31.42 O ATOM 738 CB GLU A 48 6.052 -0.459 -6.977 1.00 65.42 C ATOM 739 CG GLU A 48 5.725 -0.308 -5.501 1.00 54.23 C ATOM 740 CD GLU A 48 6.408 -1.353 -4.642 1.00 21.35 C ATOM 741 OE1 GLU A 48 7.632 -1.543 -4.800 1.00 63.02 O ATOM 742 OE2 GLU A 48 5.719 -1.982 -3.811 1.00 4.32 O ATOM 0 H GLU A 48 6.984 0.546 -9.169 1.00 11.21 H new ATOM 0 HA GLU A 48 4.301 0.244 -8.004 1.00 51.33 H new ATOM 0 HB2 GLU A 48 5.785 -1.466 -7.298 1.00 65.42 H new ATOM 0 HB3 GLU A 48 7.128 -0.356 -7.114 1.00 65.42 H new ATOM 0 HG2 GLU A 48 6.025 0.685 -5.166 1.00 54.23 H new ATOM 0 HG3 GLU A 48 4.646 -0.378 -5.363 1.00 54.23 H new ATOM 749 N PHE A 49 4.171 2.400 -6.813 1.00 40.10 N ATOM 750 CA PHE A 49 4.045 3.702 -6.169 1.00 12.15 C ATOM 751 C PHE A 49 3.441 3.563 -4.774 1.00 70.52 C ATOM 752 O PHE A 49 2.578 2.716 -4.543 1.00 0.53 O ATOM 753 CB PHE A 49 3.181 4.635 -7.020 1.00 34.41 C ATOM 754 CG PHE A 49 1.817 4.081 -7.320 1.00 30.24 C ATOM 755 CD1 PHE A 49 1.642 3.137 -8.319 1.00 23.03 C ATOM 756 CD2 PHE A 49 0.710 4.505 -6.602 1.00 73.34 C ATOM 757 CE1 PHE A 49 0.389 2.625 -8.597 1.00 32.02 C ATOM 758 CE2 PHE A 49 -0.546 3.996 -6.876 1.00 1.02 C ATOM 759 CZ PHE A 49 -0.707 3.056 -7.875 1.00 2.01 C ATOM 0 H PHE A 49 3.290 1.898 -6.926 1.00 40.10 H new ATOM 0 HA PHE A 49 5.043 4.129 -6.073 1.00 12.15 H new ATOM 0 HB2 PHE A 49 3.072 5.588 -6.503 1.00 34.41 H new ATOM 0 HB3 PHE A 49 3.696 4.839 -7.959 1.00 34.41 H new ATOM 0 HD1 PHE A 49 2.495 2.797 -8.887 1.00 23.03 H new ATOM 0 HD2 PHE A 49 0.830 5.241 -5.820 1.00 73.34 H new ATOM 0 HE1 PHE A 49 0.267 1.889 -9.378 1.00 32.02 H new ATOM 0 HE2 PHE A 49 -1.401 4.333 -6.309 1.00 1.02 H new ATOM 0 HZ PHE A 49 -1.688 2.659 -8.091 1.00 2.01 H new ATOM 769 N GLU A 50 3.902 4.399 -3.850 1.00 23.25 N ATOM 770 CA GLU A 50 3.409 4.368 -2.478 1.00 32.43 C ATOM 771 C GLU A 50 2.407 5.493 -2.234 1.00 64.01 C ATOM 772 O GLU A 50 2.790 6.632 -1.967 1.00 13.24 O ATOM 773 CB GLU A 50 4.572 4.483 -1.491 1.00 24.12 C ATOM 774 CG GLU A 50 5.105 3.141 -1.018 1.00 61.44 C ATOM 775 CD GLU A 50 5.456 3.139 0.457 1.00 62.33 C ATOM 776 OE1 GLU A 50 4.539 3.315 1.286 1.00 62.53 O ATOM 777 OE2 GLU A 50 6.649 2.961 0.782 1.00 71.02 O ATOM 0 H GLU A 50 4.616 5.106 -4.026 1.00 23.25 H new ATOM 0 HA GLU A 50 2.904 3.415 -2.323 1.00 32.43 H new ATOM 0 HB2 GLU A 50 5.382 5.041 -1.961 1.00 24.12 H new ATOM 0 HB3 GLU A 50 4.247 5.061 -0.626 1.00 24.12 H new ATOM 0 HG2 GLU A 50 4.359 2.370 -1.211 1.00 61.44 H new ATOM 0 HG3 GLU A 50 5.990 2.881 -1.598 1.00 61.44 H new ATOM 784 N VAL A 51 1.123 5.165 -2.329 1.00 73.11 N ATOM 785 CA VAL A 51 0.065 6.147 -2.119 1.00 24.42 C ATOM 786 C VAL A 51 0.094 6.689 -0.694 1.00 61.52 C ATOM 787 O VAL A 51 0.003 5.930 0.270 1.00 23.14 O ATOM 788 CB VAL A 51 -1.324 5.544 -2.399 1.00 60.12 C ATOM 789 CG1 VAL A 51 -1.466 5.192 -3.872 1.00 71.21 C ATOM 790 CG2 VAL A 51 -1.560 4.321 -1.525 1.00 52.52 C ATOM 0 H VAL A 51 0.790 4.227 -2.550 1.00 73.11 H new ATOM 0 HA VAL A 51 0.246 6.963 -2.819 1.00 24.42 H new ATOM 0 HB VAL A 51 -2.081 6.289 -2.153 1.00 60.12 H new ATOM 0 HG11 VAL A 51 -2.454 4.767 -4.051 1.00 71.21 H new ATOM 0 HG12 VAL A 51 -1.343 6.092 -4.475 1.00 71.21 H new ATOM 0 HG13 VAL A 51 -0.703 4.464 -4.147 1.00 71.21 H new ATOM 0 HG21 VAL A 51 -2.546 3.908 -1.736 1.00 52.52 H new ATOM 0 HG22 VAL A 51 -0.799 3.570 -1.737 1.00 52.52 H new ATOM 0 HG23 VAL A 51 -1.504 4.608 -0.475 1.00 52.52 H new ATOM 800 N GLU A 52 0.221 8.006 -0.570 1.00 54.14 N ATOM 801 CA GLU A 52 0.261 8.649 0.738 1.00 45.44 C ATOM 802 C GLU A 52 -0.988 9.494 0.968 1.00 74.11 C ATOM 803 O GLU A 52 -1.682 9.890 0.031 1.00 41.21 O ATOM 804 CB GLU A 52 1.511 9.524 0.862 1.00 61.42 C ATOM 805 CG GLU A 52 2.534 8.986 1.849 1.00 41.54 C ATOM 806 CD GLU A 52 3.167 10.081 2.686 1.00 21.42 C ATOM 807 OE1 GLU A 52 4.194 10.642 2.249 1.00 14.35 O ATOM 808 OE2 GLU A 52 2.637 10.375 3.778 1.00 71.13 O ATOM 0 H GLU A 52 0.298 8.648 -1.359 1.00 54.14 H new ATOM 0 HA GLU A 52 0.295 7.868 1.497 1.00 45.44 H new ATOM 0 HB2 GLU A 52 1.978 9.617 -0.118 1.00 61.42 H new ATOM 0 HB3 GLU A 52 1.214 10.527 1.170 1.00 61.42 H new ATOM 0 HG2 GLU A 52 2.053 8.262 2.507 1.00 41.54 H new ATOM 0 HG3 GLU A 52 3.314 8.453 1.305 1.00 41.54 H new ATOM 815 N PRO A 53 -1.284 9.776 2.245 1.00 13.14 N ATOM 816 CA PRO A 53 -2.451 10.576 2.630 1.00 71.13 C ATOM 817 C PRO A 53 -2.304 12.042 2.238 1.00 44.05 C ATOM 818 O PRO A 53 -2.719 12.450 1.154 1.00 61.44 O ATOM 819 CB PRO A 53 -2.494 10.431 4.153 1.00 50.50 C ATOM 820 CG PRO A 53 -1.088 10.134 4.545 1.00 1.30 C ATOM 821 CD PRO A 53 -0.502 9.337 3.413 1.00 71.50 C ATOM 0 HA PRO A 53 -3.359 10.238 2.130 1.00 71.13 H new ATOM 0 HB2 PRO A 53 -2.853 11.344 4.628 1.00 50.50 H new ATOM 0 HB3 PRO A 53 -3.167 9.629 4.455 1.00 50.50 H new ATOM 0 HG2 PRO A 53 -0.526 11.054 4.707 1.00 1.30 H new ATOM 0 HG3 PRO A 53 -1.054 9.571 5.478 1.00 1.30 H new ATOM 0 HD2 PRO A 53 0.561 9.542 3.285 1.00 71.50 H new ATOM 0 HD3 PRO A 53 -0.601 8.265 3.583 1.00 71.50 H new ATOM 829 N GLY A 54 -1.709 12.831 3.127 1.00 4.12 N ATOM 830 CA GLY A 54 -1.517 14.244 2.855 1.00 62.51 C ATOM 831 C GLY A 54 -0.339 14.502 1.936 1.00 1.15 C ATOM 832 O GLY A 54 0.591 15.225 2.297 1.00 74.44 O ATOM 0 H GLY A 54 -1.356 12.517 4.031 1.00 4.12 H new ATOM 0 HA2 GLY A 54 -2.422 14.650 2.404 1.00 62.51 H new ATOM 0 HA3 GLY A 54 -1.364 14.774 3.795 1.00 62.51 H new ATOM 836 N ARG A 55 -0.376 13.910 0.747 1.00 34.45 N ATOM 837 CA ARG A 55 0.698 14.077 -0.224 1.00 13.40 C ATOM 838 C ARG A 55 0.139 14.452 -1.593 1.00 54.14 C ATOM 839 O ARG A 55 0.683 15.313 -2.283 1.00 64.34 O ATOM 840 CB ARG A 55 1.522 12.793 -0.332 1.00 10.23 C ATOM 841 CG ARG A 55 2.689 12.735 0.640 1.00 2.31 C ATOM 842 CD ARG A 55 3.695 13.843 0.369 1.00 1.12 C ATOM 843 NE ARG A 55 4.958 13.618 1.067 1.00 42.20 N ATOM 844 CZ ARG A 55 6.065 14.313 0.826 1.00 34.22 C ATOM 845 NH1 ARG A 55 6.063 15.272 -0.090 1.00 23.53 N ATOM 846 NH2 ARG A 55 7.175 14.049 1.503 1.00 43.33 N ATOM 0 H ARG A 55 -1.139 13.310 0.433 1.00 34.45 H new ATOM 0 HA ARG A 55 1.343 14.886 0.121 1.00 13.40 H new ATOM 0 HB2 ARG A 55 0.870 11.937 -0.156 1.00 10.23 H new ATOM 0 HB3 ARG A 55 1.902 12.700 -1.349 1.00 10.23 H new ATOM 0 HG2 ARG A 55 2.318 12.821 1.661 1.00 2.31 H new ATOM 0 HG3 ARG A 55 3.183 11.766 0.560 1.00 2.31 H new ATOM 0 HD2 ARG A 55 3.880 13.910 -0.703 1.00 1.12 H new ATOM 0 HD3 ARG A 55 3.274 14.799 0.680 1.00 1.12 H new ATOM 0 HE ARG A 55 4.992 12.888 1.778 1.00 42.20 H new ATOM 0 HH11 ARG A 55 5.211 15.478 -0.611 1.00 23.53 H new ATOM 0 HH12 ARG A 55 6.914 15.804 -0.273 1.00 23.53 H new ATOM 0 HH21 ARG A 55 7.179 13.312 2.209 1.00 43.33 H new ATOM 0 HH22 ARG A 55 8.024 14.583 1.318 1.00 43.33 H new ATOM 860 N GLY A 56 -0.953 13.799 -1.981 1.00 23.55 N ATOM 861 CA GLY A 56 -1.567 14.076 -3.266 1.00 0.23 C ATOM 862 C GLY A 56 -2.740 15.029 -3.154 1.00 14.23 C ATOM 863 O GLY A 56 -3.564 14.907 -2.248 1.00 50.11 O ATOM 0 H GLY A 56 -1.423 13.083 -1.427 1.00 23.55 H new ATOM 0 HA2 GLY A 56 -0.821 14.500 -3.938 1.00 0.23 H new ATOM 0 HA3 GLY A 56 -1.904 13.141 -3.713 1.00 0.23 H new ATOM 867 N GLY A 57 -2.816 15.983 -4.077 1.00 12.54 N ATOM 868 CA GLY A 57 -3.900 16.949 -4.058 1.00 61.44 C ATOM 869 C GLY A 57 -5.257 16.293 -3.896 1.00 51.43 C ATOM 870 O GLY A 57 -6.147 16.842 -3.246 1.00 3.51 O ATOM 0 H GLY A 57 -2.147 16.104 -4.837 1.00 12.54 H new ATOM 0 HA2 GLY A 57 -3.741 17.654 -3.242 1.00 61.44 H new ATOM 0 HA3 GLY A 57 -3.886 17.525 -4.983 1.00 61.44 H new ATOM 874 N LYS A 58 -5.419 15.116 -4.491 1.00 3.14 N ATOM 875 CA LYS A 58 -6.677 14.384 -4.410 1.00 52.23 C ATOM 876 C LYS A 58 -6.676 13.428 -3.222 1.00 2.23 C ATOM 877 O LYS A 58 -7.730 13.074 -2.696 1.00 53.31 O ATOM 878 CB LYS A 58 -6.921 13.605 -5.705 1.00 14.13 C ATOM 879 CG LYS A 58 -7.395 14.474 -6.857 1.00 73.42 C ATOM 880 CD LYS A 58 -8.750 15.098 -6.565 1.00 25.32 C ATOM 881 CE LYS A 58 -9.800 14.038 -6.272 1.00 32.32 C ATOM 882 NZ LYS A 58 -11.159 14.629 -6.125 1.00 40.12 N ATOM 0 H LYS A 58 -4.694 14.648 -5.035 1.00 3.14 H new ATOM 0 HA LYS A 58 -7.481 15.107 -4.270 1.00 52.23 H new ATOM 0 HB2 LYS A 58 -5.999 13.102 -5.996 1.00 14.13 H new ATOM 0 HB3 LYS A 58 -7.662 12.828 -5.518 1.00 14.13 H new ATOM 0 HG2 LYS A 58 -6.664 15.261 -7.045 1.00 73.42 H new ATOM 0 HG3 LYS A 58 -7.458 13.874 -7.765 1.00 73.42 H new ATOM 0 HD2 LYS A 58 -8.665 15.773 -5.713 1.00 25.32 H new ATOM 0 HD3 LYS A 58 -9.066 15.699 -7.417 1.00 25.32 H new ATOM 0 HE2 LYS A 58 -9.809 13.303 -7.077 1.00 32.32 H new ATOM 0 HE3 LYS A 58 -9.534 13.507 -5.358 1.00 32.32 H new ATOM 0 HZ1 LYS A 58 -11.846 13.874 -5.926 1.00 40.12 H new ATOM 0 HZ2 LYS A 58 -11.158 15.312 -5.340 1.00 40.12 H new ATOM 0 HZ3 LYS A 58 -11.424 15.115 -7.006 1.00 40.12 H new ATOM 896 N GLY A 59 -5.484 13.015 -2.802 1.00 22.41 N ATOM 897 CA GLY A 59 -5.368 12.105 -1.677 1.00 72.43 C ATOM 898 C GLY A 59 -4.159 11.198 -1.787 1.00 64.44 C ATOM 899 O GLY A 59 -3.060 11.537 -1.348 1.00 22.44 O ATOM 0 H GLY A 59 -4.597 13.294 -3.221 1.00 22.41 H new ATOM 0 HA2 GLY A 59 -5.304 12.680 -0.753 1.00 72.43 H new ATOM 0 HA3 GLY A 59 -6.270 11.497 -1.611 1.00 72.43 H new ATOM 903 N PRO A 60 -4.355 10.013 -2.386 1.00 3.33 N ATOM 904 CA PRO A 60 -3.282 9.030 -2.565 1.00 35.11 C ATOM 905 C PRO A 60 -2.244 9.484 -3.585 1.00 71.12 C ATOM 906 O PRO A 60 -2.554 9.656 -4.764 1.00 25.42 O ATOM 907 CB PRO A 60 -4.021 7.788 -3.070 1.00 71.11 C ATOM 908 CG PRO A 60 -5.255 8.317 -3.716 1.00 2.42 C ATOM 909 CD PRO A 60 -5.638 9.543 -2.934 1.00 11.23 C ATOM 0 HA PRO A 60 -2.722 8.865 -1.645 1.00 35.11 H new ATOM 0 HB2 PRO A 60 -3.413 7.227 -3.779 1.00 71.11 H new ATOM 0 HB3 PRO A 60 -4.262 7.111 -2.251 1.00 71.11 H new ATOM 0 HG2 PRO A 60 -5.073 8.562 -4.762 1.00 2.42 H new ATOM 0 HG3 PRO A 60 -6.054 7.576 -3.696 1.00 2.42 H new ATOM 0 HD2 PRO A 60 -6.103 10.296 -3.570 1.00 11.23 H new ATOM 0 HD3 PRO A 60 -6.351 9.309 -2.143 1.00 11.23 H new ATOM 917 N GLN A 61 -1.013 9.676 -3.124 1.00 25.21 N ATOM 918 CA GLN A 61 0.071 10.110 -3.998 1.00 11.23 C ATOM 919 C GLN A 61 1.181 9.065 -4.049 1.00 52.43 C ATOM 920 O GLN A 61 1.328 8.256 -3.134 1.00 75.01 O ATOM 921 CB GLN A 61 0.636 11.448 -3.518 1.00 52.41 C ATOM 922 CG GLN A 61 2.065 11.702 -3.969 1.00 25.35 C ATOM 923 CD GLN A 61 2.510 13.130 -3.724 1.00 52.44 C ATOM 924 OE1 GLN A 61 3.412 13.384 -2.925 1.00 53.34 O ATOM 925 NE2 GLN A 61 1.877 14.073 -4.413 1.00 45.23 N ATOM 0 H GLN A 61 -0.741 9.538 -2.151 1.00 25.21 H new ATOM 0 HA GLN A 61 -0.333 10.233 -5.003 1.00 11.23 H new ATOM 0 HB2 GLN A 61 -0.000 12.254 -3.884 1.00 52.41 H new ATOM 0 HB3 GLN A 61 0.596 11.480 -2.429 1.00 52.41 H new ATOM 0 HG2 GLN A 61 2.734 11.022 -3.442 1.00 25.35 H new ATOM 0 HG3 GLN A 61 2.152 11.476 -5.032 1.00 25.35 H new ATOM 0 HE21 GLN A 61 1.135 13.817 -5.065 1.00 45.23 H new ATOM 0 HE22 GLN A 61 2.133 15.053 -4.290 1.00 45.23 H new ATOM 934 N ALA A 62 1.960 9.089 -5.126 1.00 15.30 N ATOM 935 CA ALA A 62 3.057 8.145 -5.296 1.00 41.40 C ATOM 936 C ALA A 62 4.260 8.544 -4.449 1.00 5.24 C ATOM 937 O ALA A 62 5.355 8.761 -4.969 1.00 22.53 O ATOM 938 CB ALA A 62 3.450 8.051 -6.763 1.00 0.41 C ATOM 0 H ALA A 62 1.851 9.752 -5.893 1.00 15.30 H new ATOM 0 HA ALA A 62 2.717 7.166 -4.959 1.00 41.40 H new ATOM 0 HB1 ALA A 62 4.271 7.342 -6.875 1.00 0.41 H new ATOM 0 HB2 ALA A 62 2.595 7.712 -7.348 1.00 0.41 H new ATOM 0 HB3 ALA A 62 3.766 9.032 -7.118 1.00 0.41 H new ATOM 944 N LYS A 63 4.051 8.641 -3.140 1.00 72.21 N ATOM 945 CA LYS A 63 5.118 9.013 -2.219 1.00 41.31 C ATOM 946 C LYS A 63 6.428 8.330 -2.599 1.00 33.41 C ATOM 947 O LYS A 63 7.493 8.947 -2.574 1.00 14.01 O ATOM 948 CB LYS A 63 4.734 8.643 -0.785 1.00 24.13 C ATOM 949 CG LYS A 63 5.843 8.887 0.224 1.00 3.40 C ATOM 950 CD LYS A 63 5.898 7.787 1.270 1.00 30.13 C ATOM 951 CE LYS A 63 6.167 6.430 0.638 1.00 33.23 C ATOM 952 NZ LYS A 63 7.423 5.817 1.153 1.00 55.00 N ATOM 0 H LYS A 63 3.151 8.467 -2.693 1.00 72.21 H new ATOM 0 HA LYS A 63 5.260 10.092 -2.283 1.00 41.31 H new ATOM 0 HB2 LYS A 63 3.856 9.219 -0.493 1.00 24.13 H new ATOM 0 HB3 LYS A 63 4.451 7.591 -0.754 1.00 24.13 H new ATOM 0 HG2 LYS A 63 6.800 8.946 -0.294 1.00 3.40 H new ATOM 0 HG3 LYS A 63 5.686 9.848 0.714 1.00 3.40 H new ATOM 0 HD2 LYS A 63 6.679 8.013 1.996 1.00 30.13 H new ATOM 0 HD3 LYS A 63 4.955 7.755 1.816 1.00 30.13 H new ATOM 0 HE2 LYS A 63 5.329 5.763 0.839 1.00 33.23 H new ATOM 0 HE3 LYS A 63 6.234 6.540 -0.444 1.00 33.23 H new ATOM 0 HZ1 LYS A 63 7.460 4.816 0.874 1.00 55.00 H new ATOM 0 HZ2 LYS A 63 8.243 6.318 0.755 1.00 55.00 H new ATOM 0 HZ3 LYS A 63 7.444 5.888 2.190 1.00 55.00 H new ATOM 966 N LYS A 64 6.342 7.052 -2.952 1.00 31.52 N ATOM 967 CA LYS A 64 7.519 6.284 -3.340 1.00 22.21 C ATOM 968 C LYS A 64 7.250 5.479 -4.607 1.00 63.24 C ATOM 969 O LYS A 64 6.512 4.494 -4.584 1.00 63.33 O ATOM 970 CB LYS A 64 7.938 5.345 -2.206 1.00 52.01 C ATOM 971 CG LYS A 64 9.343 4.790 -2.364 1.00 33.42 C ATOM 972 CD LYS A 64 9.447 3.375 -1.820 1.00 61.52 C ATOM 973 CE LYS A 64 10.806 2.761 -2.120 1.00 42.04 C ATOM 974 NZ LYS A 64 11.883 3.364 -1.287 1.00 61.21 N ATOM 0 H LYS A 64 5.469 6.526 -2.977 1.00 31.52 H new ATOM 0 HA LYS A 64 8.329 6.985 -3.541 1.00 22.21 H new ATOM 0 HB2 LYS A 64 7.872 5.881 -1.259 1.00 52.01 H new ATOM 0 HB3 LYS A 64 7.233 4.516 -2.153 1.00 52.01 H new ATOM 0 HG2 LYS A 64 9.622 4.797 -3.418 1.00 33.42 H new ATOM 0 HG3 LYS A 64 10.051 5.434 -1.842 1.00 33.42 H new ATOM 0 HD2 LYS A 64 9.281 3.385 -0.743 1.00 61.52 H new ATOM 0 HD3 LYS A 64 8.663 2.757 -2.258 1.00 61.52 H new ATOM 0 HE2 LYS A 64 10.767 1.687 -1.941 1.00 42.04 H new ATOM 0 HE3 LYS A 64 11.042 2.900 -3.175 1.00 42.04 H new ATOM 0 HZ1 LYS A 64 12.793 2.919 -1.521 1.00 61.21 H new ATOM 0 HZ2 LYS A 64 11.938 4.385 -1.477 1.00 61.21 H new ATOM 0 HZ3 LYS A 64 11.671 3.210 -0.281 1.00 61.21 H new ATOM 988 N VAL A 65 7.855 5.904 -5.712 1.00 72.24 N ATOM 989 CA VAL A 65 7.683 5.221 -6.989 1.00 35.20 C ATOM 990 C VAL A 65 8.940 4.449 -7.373 1.00 74.32 C ATOM 991 O VAL A 65 10.058 4.911 -7.146 1.00 31.42 O ATOM 992 CB VAL A 65 7.339 6.214 -8.115 1.00 41.10 C ATOM 993 CG1 VAL A 65 8.182 5.934 -9.350 1.00 31.21 C ATOM 994 CG2 VAL A 65 5.856 6.151 -8.446 1.00 53.13 C ATOM 0 H VAL A 65 8.469 6.718 -5.748 1.00 72.24 H new ATOM 0 HA VAL A 65 6.855 4.523 -6.865 1.00 35.20 H new ATOM 0 HB VAL A 65 7.568 7.222 -7.769 1.00 41.10 H new ATOM 0 HG11 VAL A 65 7.925 6.645 -10.135 1.00 31.21 H new ATOM 0 HG12 VAL A 65 9.238 6.035 -9.100 1.00 31.21 H new ATOM 0 HG13 VAL A 65 7.988 4.921 -9.701 1.00 31.21 H new ATOM 0 HG21 VAL A 65 5.631 6.859 -9.244 1.00 53.13 H new ATOM 0 HG22 VAL A 65 5.598 5.143 -8.772 1.00 53.13 H new ATOM 0 HG23 VAL A 65 5.274 6.405 -7.560 1.00 53.13 H new ATOM 1004 N ARG A 66 8.748 3.270 -7.957 1.00 43.44 N ATOM 1005 CA ARG A 66 9.867 2.433 -8.373 1.00 41.10 C ATOM 1006 C ARG A 66 9.675 1.940 -9.804 1.00 50.33 C ATOM 1007 O ARG A 66 8.558 1.634 -10.221 1.00 71.30 O ATOM 1008 CB ARG A 66 10.018 1.240 -7.427 1.00 53.04 C ATOM 1009 CG ARG A 66 10.839 1.547 -6.186 1.00 33.13 C ATOM 1010 CD ARG A 66 12.301 1.179 -6.380 1.00 23.42 C ATOM 1011 NE ARG A 66 12.568 -0.212 -6.022 1.00 13.04 N ATOM 1012 CZ ARG A 66 13.726 -0.821 -6.250 1.00 40.22 C ATOM 1013 NH1 ARG A 66 14.720 -0.165 -6.833 1.00 11.32 N ATOM 1014 NH2 ARG A 66 13.892 -2.089 -5.895 1.00 40.51 N ATOM 0 H ARG A 66 7.829 2.873 -8.152 1.00 43.44 H new ATOM 0 HA ARG A 66 10.774 3.036 -8.334 1.00 41.10 H new ATOM 0 HB2 ARG A 66 9.028 0.901 -7.123 1.00 53.04 H new ATOM 0 HB3 ARG A 66 10.485 0.416 -7.967 1.00 53.04 H new ATOM 0 HG2 ARG A 66 10.758 2.608 -5.948 1.00 33.13 H new ATOM 0 HG3 ARG A 66 10.434 0.998 -5.336 1.00 33.13 H new ATOM 0 HD2 ARG A 66 12.582 1.346 -7.420 1.00 23.42 H new ATOM 0 HD3 ARG A 66 12.924 1.836 -5.772 1.00 23.42 H new ATOM 0 HE ARG A 66 11.824 -0.745 -5.572 1.00 13.04 H new ATOM 0 HH11 ARG A 66 14.596 0.810 -7.107 1.00 11.32 H new ATOM 0 HH12 ARG A 66 15.608 -0.635 -7.007 1.00 11.32 H new ATOM 0 HH21 ARG A 66 13.130 -2.597 -5.446 1.00 40.51 H new ATOM 0 HH22 ARG A 66 14.782 -2.555 -6.071 1.00 40.51 H new ATOM 1028 N ARG A 67 10.771 1.868 -10.552 1.00 25.52 N ATOM 1029 CA ARG A 67 10.723 1.414 -11.936 1.00 64.05 C ATOM 1030 C ARG A 67 10.614 -0.106 -12.007 1.00 72.31 C ATOM 1031 O ARG A 67 11.321 -0.823 -11.299 1.00 4.14 O ATOM 1032 CB ARG A 67 11.969 1.882 -12.692 1.00 75.22 C ATOM 1033 CG ARG A 67 13.237 1.147 -12.290 1.00 71.03 C ATOM 1034 CD ARG A 67 13.577 0.042 -13.278 1.00 22.11 C ATOM 1035 NE ARG A 67 14.250 -1.082 -12.632 1.00 14.15 N ATOM 1036 CZ ARG A 67 14.862 -2.054 -13.298 1.00 41.13 C ATOM 1037 NH1 ARG A 67 14.887 -2.039 -14.624 1.00 23.32 N ATOM 1038 NH2 ARG A 67 15.452 -3.043 -12.639 1.00 13.01 N ATOM 0 H ARG A 67 11.703 2.118 -10.222 1.00 25.52 H new ATOM 0 HA ARG A 67 9.838 1.847 -12.403 1.00 64.05 H new ATOM 0 HB2 ARG A 67 11.806 1.749 -13.762 1.00 75.22 H new ATOM 0 HB3 ARG A 67 12.108 2.949 -12.521 1.00 75.22 H new ATOM 0 HG2 ARG A 67 14.065 1.853 -12.233 1.00 71.03 H new ATOM 0 HG3 ARG A 67 13.112 0.721 -11.295 1.00 71.03 H new ATOM 0 HD2 ARG A 67 12.663 -0.309 -13.757 1.00 22.11 H new ATOM 0 HD3 ARG A 67 14.216 0.443 -14.065 1.00 22.11 H new ATOM 0 HE ARG A 67 14.250 -1.122 -11.613 1.00 14.15 H new ATOM 0 HH11 ARG A 67 14.436 -1.280 -15.134 1.00 23.32 H new ATOM 0 HH12 ARG A 67 15.358 -2.787 -15.134 1.00 23.32 H new ATOM 0 HH21 ARG A 67 15.436 -3.057 -11.619 1.00 13.01 H new ATOM 0 HH22 ARG A 67 15.922 -3.789 -13.152 1.00 13.01 H new ATOM 1052 N ILE A 68 9.723 -0.591 -12.865 1.00 54.23 N ATOM 1053 CA ILE A 68 9.521 -2.025 -13.028 1.00 62.24 C ATOM 1054 C ILE A 68 9.317 -2.388 -14.495 1.00 70.43 C ATOM 1055 O ILE A 68 8.260 -2.127 -15.069 1.00 74.42 O ATOM 1056 CB ILE A 68 8.310 -2.520 -12.215 1.00 42.44 C ATOM 1057 CG1 ILE A 68 8.330 -1.914 -10.810 1.00 62.52 C ATOM 1058 CG2 ILE A 68 8.305 -4.039 -12.144 1.00 23.35 C ATOM 1059 CD1 ILE A 68 9.407 -2.493 -9.919 1.00 15.05 C ATOM 0 H ILE A 68 9.129 -0.011 -13.458 1.00 54.23 H new ATOM 0 HA ILE A 68 10.421 -2.514 -12.657 1.00 62.24 H new ATOM 0 HB ILE A 68 7.397 -2.197 -12.716 1.00 42.44 H new ATOM 0 HG12 ILE A 68 8.475 -0.837 -10.889 1.00 62.52 H new ATOM 0 HG13 ILE A 68 7.358 -2.071 -10.341 1.00 62.52 H new ATOM 0 HG21 ILE A 68 7.443 -4.373 -11.566 1.00 23.35 H new ATOM 0 HG22 ILE A 68 8.248 -4.450 -13.152 1.00 23.35 H new ATOM 0 HG23 ILE A 68 9.220 -4.384 -11.663 1.00 23.35 H new ATOM 0 HD11 ILE A 68 9.363 -2.018 -8.939 1.00 15.05 H new ATOM 0 HD12 ILE A 68 9.250 -3.566 -9.809 1.00 15.05 H new ATOM 0 HD13 ILE A 68 10.385 -2.313 -10.366 1.00 15.05 H new