USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 527 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= -0.803 (180deg=-1.03) 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= 0.0388 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.566 X(o=-0.57,f=-0.26) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -7.08 K(o=-7.1,f=-11!) USER MOD Single : A 20 GLN : amide:sc= -5.25 K(o=-5.2,f=-7.3!) USER MOD Single : A 29 HIS : no HD1:sc= -2.68 X(o=-2.7,f=-2.8) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 42:sc= 1.01 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0.4) USER MOD Single : A 46 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.078) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -2.15 K(o=-2.1,f=-3.2) USER MOD Single : A 63 LYS NZ :NH3+ -121:sc= -0.703 (180deg=-2.13) USER MOD Single : A 64 LYS NZ :NH3+ -168:sc= -0.378 (180deg=-0.552) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.564 0.616 -2.177 1.00 33.33 N ATOM 2 CA MET A 1 2.580 -0.178 -0.953 1.00 52.42 C ATOM 3 C MET A 1 3.261 -1.522 -1.186 1.00 71.41 C ATOM 4 O MET A 1 4.245 -1.854 -0.525 1.00 20.51 O ATOM 5 CB MET A 1 1.154 -0.396 -0.443 1.00 22.30 C ATOM 6 CG MET A 1 0.871 0.291 0.883 1.00 40.01 C ATOM 7 SD MET A 1 1.819 -0.412 2.246 1.00 4.30 S ATOM 8 CE MET A 1 2.639 1.050 2.878 1.00 52.44 C ATOM 0 H1 MET A 1 2.220 1.574 -1.965 1.00 33.33 H new ATOM 0 H2 MET A 1 3.526 0.672 -2.567 1.00 33.33 H new ATOM 0 H3 MET A 1 1.934 0.169 -2.873 1.00 33.33 H new ATOM 0 HA MET A 1 3.147 0.370 -0.201 1.00 52.42 H new ATOM 0 HB2 MET A 1 0.450 -0.030 -1.190 1.00 22.30 H new ATOM 0 HB3 MET A 1 0.975 -1.466 -0.334 1.00 22.30 H new ATOM 0 HG2 MET A 1 1.102 1.353 0.794 1.00 40.01 H new ATOM 0 HG3 MET A 1 -0.193 0.214 1.108 1.00 40.01 H new ATOM 0 HE1 MET A 1 3.265 0.777 3.728 1.00 52.44 H new ATOM 0 HE2 MET A 1 3.259 1.486 2.095 1.00 52.44 H new ATOM 0 HE3 MET A 1 1.892 1.777 3.196 1.00 52.44 H new ATOM 18 N LYS A 2 2.731 -2.293 -2.130 1.00 21.33 N ATOM 19 CA LYS A 2 3.288 -3.602 -2.451 1.00 51.02 C ATOM 20 C LYS A 2 3.933 -3.594 -3.833 1.00 72.34 C ATOM 21 O LYS A 2 3.318 -3.177 -4.815 1.00 14.22 O ATOM 22 CB LYS A 2 2.196 -4.672 -2.392 1.00 75.24 C ATOM 23 CG LYS A 2 1.417 -4.676 -1.088 1.00 24.10 C ATOM 24 CD LYS A 2 2.338 -4.839 0.110 1.00 72.00 C ATOM 25 CE LYS A 2 1.591 -5.385 1.317 1.00 75.32 C ATOM 26 NZ LYS A 2 2.482 -5.536 2.500 1.00 64.22 N ATOM 0 H LYS A 2 1.916 -2.034 -2.686 1.00 21.33 H new ATOM 0 HA LYS A 2 4.055 -3.834 -1.712 1.00 51.02 H new ATOM 0 HB2 LYS A 2 1.503 -4.518 -3.219 1.00 75.24 H new ATOM 0 HB3 LYS A 2 2.651 -5.652 -2.536 1.00 75.24 H new ATOM 0 HG2 LYS A 2 0.858 -3.745 -0.994 1.00 24.10 H new ATOM 0 HG3 LYS A 2 0.688 -5.486 -1.101 1.00 24.10 H new ATOM 0 HD2 LYS A 2 3.156 -5.512 -0.148 1.00 72.00 H new ATOM 0 HD3 LYS A 2 2.784 -3.877 0.361 1.00 72.00 H new ATOM 0 HE2 LYS A 2 0.767 -4.717 1.566 1.00 75.32 H new ATOM 0 HE3 LYS A 2 1.153 -6.351 1.066 1.00 75.32 H new ATOM 0 HZ1 LYS A 2 1.935 -5.911 3.301 1.00 64.22 H new ATOM 0 HZ2 LYS A 2 3.255 -6.193 2.271 1.00 64.22 H new ATOM 0 HZ3 LYS A 2 2.880 -4.610 2.755 1.00 64.22 H new ATOM 40 N LYS A 3 5.175 -4.060 -3.904 1.00 43.32 N ATOM 41 CA LYS A 3 5.904 -4.109 -5.166 1.00 74.44 C ATOM 42 C LYS A 3 6.167 -5.552 -5.586 1.00 54.03 C ATOM 43 O LYS A 3 6.604 -6.373 -4.781 1.00 62.15 O ATOM 44 CB LYS A 3 7.228 -3.353 -5.045 1.00 3.14 C ATOM 45 CG LYS A 3 7.081 -1.958 -4.462 1.00 31.13 C ATOM 46 CD LYS A 3 8.434 -1.321 -4.190 1.00 35.40 C ATOM 47 CE LYS A 3 9.016 -1.794 -2.867 1.00 1.22 C ATOM 48 NZ LYS A 3 10.169 -0.955 -2.437 1.00 52.41 N ATOM 0 H LYS A 3 5.699 -4.410 -3.101 1.00 43.32 H new ATOM 0 HA LYS A 3 5.290 -3.632 -5.930 1.00 74.44 H new ATOM 0 HB2 LYS A 3 7.910 -3.929 -4.419 1.00 3.14 H new ATOM 0 HB3 LYS A 3 7.686 -3.279 -6.031 1.00 3.14 H new ATOM 0 HG2 LYS A 3 6.515 -1.332 -5.152 1.00 31.13 H new ATOM 0 HG3 LYS A 3 6.509 -2.008 -3.536 1.00 31.13 H new ATOM 0 HD2 LYS A 3 9.122 -1.565 -5.000 1.00 35.40 H new ATOM 0 HD3 LYS A 3 8.330 -0.236 -4.176 1.00 35.40 H new ATOM 0 HE2 LYS A 3 8.242 -1.768 -2.100 1.00 1.22 H new ATOM 0 HE3 LYS A 3 9.337 -2.831 -2.962 1.00 1.22 H new ATOM 0 HZ1 LYS A 3 10.538 -1.309 -1.531 1.00 52.41 H new ATOM 0 HZ2 LYS A 3 10.918 -0.999 -3.157 1.00 52.41 H new ATOM 0 HZ3 LYS A 3 9.857 0.031 -2.322 1.00 52.41 H new ATOM 62 N GLY A 4 5.898 -5.853 -6.853 1.00 72.42 N ATOM 63 CA GLY A 4 6.113 -7.197 -7.358 1.00 1.12 C ATOM 64 C GLY A 4 5.952 -7.284 -8.863 1.00 0.24 C ATOM 65 O GLY A 4 5.527 -6.324 -9.506 1.00 54.12 O ATOM 0 H GLY A 4 5.535 -5.191 -7.538 1.00 72.42 H new ATOM 0 HA2 GLY A 4 7.114 -7.529 -7.083 1.00 1.12 H new ATOM 0 HA3 GLY A 4 5.409 -7.878 -6.880 1.00 1.12 H new ATOM 69 N THR A 5 6.294 -8.438 -9.427 1.00 44.33 N ATOM 70 CA THR A 5 6.188 -8.646 -10.866 1.00 4.31 C ATOM 71 C THR A 5 4.733 -8.791 -11.295 1.00 12.03 C ATOM 72 O THR A 5 3.866 -9.121 -10.485 1.00 25.13 O ATOM 73 CB THR A 5 6.970 -9.896 -11.312 1.00 3.41 C ATOM 74 OG1 THR A 5 6.826 -10.937 -10.339 1.00 40.43 O ATOM 75 CG2 THR A 5 8.445 -9.572 -11.501 1.00 73.54 C ATOM 0 H THR A 5 6.647 -9.243 -8.909 1.00 44.33 H new ATOM 0 HA THR A 5 6.619 -7.767 -11.345 1.00 4.31 H new ATOM 0 HB THR A 5 6.563 -10.232 -12.266 1.00 3.41 H new ATOM 0 HG1 THR A 5 7.325 -11.729 -10.631 1.00 40.43 H new ATOM 0 HG21 THR A 5 8.977 -10.470 -11.816 1.00 73.54 H new ATOM 0 HG22 THR A 5 8.553 -8.800 -12.263 1.00 73.54 H new ATOM 0 HG23 THR A 5 8.862 -9.214 -10.560 1.00 73.54 H new ATOM 83 N VAL A 6 4.470 -8.543 -12.574 1.00 31.01 N ATOM 84 CA VAL A 6 3.118 -8.648 -13.111 1.00 25.20 C ATOM 85 C VAL A 6 2.906 -9.988 -13.806 1.00 62.23 C ATOM 86 O VAL A 6 3.699 -10.391 -14.658 1.00 32.10 O ATOM 87 CB VAL A 6 2.821 -7.512 -14.108 1.00 34.24 C ATOM 88 CG1 VAL A 6 3.697 -7.643 -15.344 1.00 5.53 C ATOM 89 CG2 VAL A 6 1.347 -7.509 -14.487 1.00 24.33 C ATOM 0 H VAL A 6 5.175 -8.268 -13.258 1.00 31.01 H new ATOM 0 HA VAL A 6 2.434 -8.568 -12.266 1.00 25.20 H new ATOM 0 HB VAL A 6 3.052 -6.561 -13.628 1.00 34.24 H new ATOM 0 HG11 VAL A 6 3.473 -6.832 -16.037 1.00 5.53 H new ATOM 0 HG12 VAL A 6 4.746 -7.592 -15.053 1.00 5.53 H new ATOM 0 HG13 VAL A 6 3.501 -8.599 -15.829 1.00 5.53 H new ATOM 0 HG21 VAL A 6 1.154 -6.700 -15.192 1.00 24.33 H new ATOM 0 HG22 VAL A 6 1.088 -8.462 -14.948 1.00 24.33 H new ATOM 0 HG23 VAL A 6 0.742 -7.363 -13.592 1.00 24.33 H new ATOM 99 N LYS A 7 1.830 -10.676 -13.438 1.00 44.41 N ATOM 100 CA LYS A 7 1.511 -11.971 -14.027 1.00 12.41 C ATOM 101 C LYS A 7 1.003 -11.808 -15.456 1.00 35.11 C ATOM 102 O LYS A 7 1.327 -12.607 -16.334 1.00 72.13 O ATOM 103 CB LYS A 7 0.461 -12.694 -13.180 1.00 41.11 C ATOM 104 CG LYS A 7 0.587 -14.207 -13.218 1.00 33.13 C ATOM 105 CD LYS A 7 -0.442 -14.874 -12.320 1.00 60.53 C ATOM 106 CE LYS A 7 0.103 -15.098 -10.918 1.00 11.41 C ATOM 107 NZ LYS A 7 0.172 -16.545 -10.574 1.00 5.23 N ATOM 0 H LYS A 7 1.164 -10.358 -12.734 1.00 44.41 H new ATOM 0 HA LYS A 7 2.423 -12.567 -14.050 1.00 12.41 H new ATOM 0 HB2 LYS A 7 0.544 -12.357 -12.147 1.00 41.11 H new ATOM 0 HB3 LYS A 7 -0.532 -12.411 -13.529 1.00 41.11 H new ATOM 0 HG2 LYS A 7 0.460 -14.558 -14.242 1.00 33.13 H new ATOM 0 HG3 LYS A 7 1.589 -14.498 -12.903 1.00 33.13 H new ATOM 0 HD2 LYS A 7 -1.337 -14.255 -12.269 1.00 60.53 H new ATOM 0 HD3 LYS A 7 -0.739 -15.829 -12.753 1.00 60.53 H new ATOM 0 HE2 LYS A 7 1.097 -14.659 -10.841 1.00 11.41 H new ATOM 0 HE3 LYS A 7 -0.530 -14.583 -10.196 1.00 11.41 H new ATOM 0 HZ1 LYS A 7 0.548 -16.655 -9.611 1.00 5.23 H new ATOM 0 HZ2 LYS A 7 -0.781 -16.959 -10.623 1.00 5.23 H new ATOM 0 HZ3 LYS A 7 0.797 -17.033 -11.248 1.00 5.23 H new ATOM 121 N TRP A 8 0.207 -10.769 -15.681 1.00 35.21 N ATOM 122 CA TRP A 8 -0.345 -10.502 -17.004 1.00 40.34 C ATOM 123 C TRP A 8 -1.114 -9.185 -17.018 1.00 5.01 C ATOM 124 O TRP A 8 -1.721 -8.799 -16.019 1.00 22.22 O ATOM 125 CB TRP A 8 -1.262 -11.646 -17.438 1.00 71.32 C ATOM 126 CG TRP A 8 -2.534 -11.720 -16.649 1.00 31.02 C ATOM 127 CD1 TRP A 8 -3.579 -10.841 -16.694 1.00 23.50 C ATOM 128 CD2 TRP A 8 -2.894 -12.726 -15.695 1.00 41.34 C ATOM 129 NE1 TRP A 8 -4.566 -11.240 -15.826 1.00 34.50 N ATOM 130 CE2 TRP A 8 -4.171 -12.394 -15.202 1.00 70.11 C ATOM 131 CE3 TRP A 8 -2.263 -13.875 -15.212 1.00 41.01 C ATOM 132 CZ2 TRP A 8 -4.825 -13.170 -14.249 1.00 72.43 C ATOM 133 CZ3 TRP A 8 -2.913 -14.644 -14.266 1.00 74.22 C ATOM 134 CH2 TRP A 8 -4.184 -14.290 -13.793 1.00 70.15 C ATOM 0 H TRP A 8 -0.071 -10.098 -14.965 1.00 35.21 H new ATOM 0 HA TRP A 8 0.485 -10.425 -17.707 1.00 40.34 H new ATOM 0 HB2 TRP A 8 -1.504 -11.527 -18.494 1.00 71.32 H new ATOM 0 HB3 TRP A 8 -0.726 -12.590 -17.338 1.00 71.32 H new ATOM 0 HD1 TRP A 8 -3.623 -9.962 -17.320 1.00 23.50 H new ATOM 0 HE1 TRP A 8 -5.450 -10.755 -15.671 1.00 34.50 H new ATOM 0 HE3 TRP A 8 -1.285 -14.157 -15.572 1.00 41.01 H new ATOM 0 HZ2 TRP A 8 -5.804 -12.898 -13.882 1.00 72.43 H new ATOM 0 HZ3 TRP A 8 -2.433 -15.533 -13.884 1.00 74.22 H new ATOM 0 HH2 TRP A 8 -4.667 -14.913 -13.055 1.00 70.15 H new ATOM 145 N PHE A 9 -1.084 -8.499 -18.156 1.00 4.03 N ATOM 146 CA PHE A 9 -1.777 -7.224 -18.298 1.00 74.33 C ATOM 147 C PHE A 9 -2.397 -7.095 -19.687 1.00 11.33 C ATOM 148 O PHE A 9 -1.715 -6.759 -20.653 1.00 42.45 O ATOM 149 CB PHE A 9 -0.813 -6.063 -18.048 1.00 24.43 C ATOM 150 CG PHE A 9 -1.494 -4.728 -17.951 1.00 24.34 C ATOM 151 CD1 PHE A 9 -1.808 -4.011 -19.094 1.00 22.21 C ATOM 152 CD2 PHE A 9 -1.820 -4.190 -16.716 1.00 72.42 C ATOM 153 CE1 PHE A 9 -2.434 -2.782 -19.007 1.00 63.11 C ATOM 154 CE2 PHE A 9 -2.447 -2.962 -16.623 1.00 44.22 C ATOM 155 CZ PHE A 9 -2.755 -2.257 -17.770 1.00 64.34 C ATOM 0 H PHE A 9 -0.587 -8.805 -18.993 1.00 4.03 H new ATOM 0 HA PHE A 9 -2.576 -7.189 -17.557 1.00 74.33 H new ATOM 0 HB2 PHE A 9 -0.264 -6.250 -17.125 1.00 24.43 H new ATOM 0 HB3 PHE A 9 -0.080 -6.030 -18.854 1.00 24.43 H new ATOM 0 HD1 PHE A 9 -1.561 -4.417 -20.064 1.00 22.21 H new ATOM 0 HD2 PHE A 9 -1.581 -4.737 -15.816 1.00 72.42 H new ATOM 0 HE1 PHE A 9 -2.672 -2.232 -19.906 1.00 63.11 H new ATOM 0 HE2 PHE A 9 -2.696 -2.554 -15.654 1.00 44.22 H new ATOM 0 HZ PHE A 9 -3.246 -1.297 -17.700 1.00 64.34 H new ATOM 165 N ASN A 10 -3.695 -7.365 -19.776 1.00 54.22 N ATOM 166 CA ASN A 10 -4.408 -7.280 -21.046 1.00 0.22 C ATOM 167 C ASN A 10 -4.874 -5.852 -21.313 1.00 52.04 C ATOM 168 O ASN A 10 -5.815 -5.367 -20.685 1.00 25.21 O ATOM 169 CB ASN A 10 -5.608 -8.229 -21.045 1.00 53.52 C ATOM 170 CG ASN A 10 -6.209 -8.402 -22.427 1.00 2.01 C ATOM 171 OD1 ASN A 10 -5.493 -8.623 -23.404 1.00 1.52 O ATOM 172 ND2 ASN A 10 -7.530 -8.303 -22.514 1.00 52.53 N ATOM 0 H ASN A 10 -4.275 -7.644 -18.985 1.00 54.22 H new ATOM 0 HA ASN A 10 -3.722 -7.574 -21.840 1.00 0.22 H new ATOM 0 HB2 ASN A 10 -5.299 -9.201 -20.662 1.00 53.52 H new ATOM 0 HB3 ASN A 10 -6.370 -7.847 -20.366 1.00 53.52 H new ATOM 0 HD21 ASN A 10 -7.991 -8.411 -23.417 1.00 52.53 H new ATOM 0 HD22 ASN A 10 -8.084 -8.119 -21.677 1.00 52.53 H new ATOM 179 N ALA A 11 -4.210 -5.184 -22.251 1.00 61.41 N ATOM 180 CA ALA A 11 -4.558 -3.814 -22.604 1.00 45.41 C ATOM 181 C ALA A 11 -5.906 -3.755 -23.314 1.00 1.40 C ATOM 182 O ALA A 11 -6.594 -2.736 -23.273 1.00 14.40 O ATOM 183 CB ALA A 11 -3.472 -3.202 -23.477 1.00 40.04 C ATOM 0 H ALA A 11 -3.428 -5.570 -22.780 1.00 61.41 H new ATOM 0 HA ALA A 11 -4.637 -3.237 -21.683 1.00 45.41 H new ATOM 0 HB1 ALA A 11 -3.745 -2.178 -23.733 1.00 40.04 H new ATOM 0 HB2 ALA A 11 -2.527 -3.200 -22.934 1.00 40.04 H new ATOM 0 HB3 ALA A 11 -3.365 -3.788 -24.390 1.00 40.04 H new ATOM 189 N GLU A 12 -6.276 -4.853 -23.964 1.00 63.45 N ATOM 190 CA GLU A 12 -7.542 -4.924 -24.685 1.00 23.34 C ATOM 191 C GLU A 12 -8.718 -4.693 -23.741 1.00 12.33 C ATOM 192 O GLU A 12 -9.716 -4.075 -24.113 1.00 71.34 O ATOM 193 CB GLU A 12 -7.686 -6.283 -25.374 1.00 14.32 C ATOM 194 CG GLU A 12 -7.140 -6.307 -26.791 1.00 71.25 C ATOM 195 CD GLU A 12 -7.564 -7.545 -27.559 1.00 10.43 C ATOM 196 OE1 GLU A 12 -7.026 -8.634 -27.270 1.00 35.24 O ATOM 197 OE2 GLU A 12 -8.432 -7.424 -28.448 1.00 14.32 O ATOM 0 H GLU A 12 -5.718 -5.706 -24.007 1.00 63.45 H new ATOM 0 HA GLU A 12 -7.545 -4.139 -25.441 1.00 23.34 H new ATOM 0 HB2 GLU A 12 -7.169 -7.038 -24.782 1.00 14.32 H new ATOM 0 HB3 GLU A 12 -8.740 -6.561 -25.395 1.00 14.32 H new ATOM 0 HG2 GLU A 12 -7.482 -5.419 -27.323 1.00 71.25 H new ATOM 0 HG3 GLU A 12 -6.052 -6.260 -26.758 1.00 71.25 H new ATOM 204 N LYS A 13 -8.594 -5.193 -22.516 1.00 61.11 N ATOM 205 CA LYS A 13 -9.645 -5.041 -21.517 1.00 21.41 C ATOM 206 C LYS A 13 -9.318 -3.906 -20.552 1.00 32.43 C ATOM 207 O LYS A 13 -10.207 -3.180 -20.109 1.00 30.12 O ATOM 208 CB LYS A 13 -9.831 -6.347 -20.741 1.00 34.22 C ATOM 209 CG LYS A 13 -10.670 -7.378 -21.477 1.00 13.43 C ATOM 210 CD LYS A 13 -12.095 -6.892 -21.684 1.00 11.34 C ATOM 211 CE LYS A 13 -12.997 -8.008 -22.187 1.00 32.23 C ATOM 212 NZ LYS A 13 -14.418 -7.793 -21.795 1.00 4.14 N ATOM 0 H LYS A 13 -7.775 -5.707 -22.191 1.00 61.11 H new ATOM 0 HA LYS A 13 -10.573 -4.798 -22.035 1.00 21.41 H new ATOM 0 HB2 LYS A 13 -8.852 -6.775 -20.526 1.00 34.22 H new ATOM 0 HB3 LYS A 13 -10.300 -6.126 -19.782 1.00 34.22 H new ATOM 0 HG2 LYS A 13 -10.215 -7.596 -22.443 1.00 13.43 H new ATOM 0 HG3 LYS A 13 -10.681 -8.310 -20.912 1.00 13.43 H new ATOM 0 HD2 LYS A 13 -12.487 -6.501 -20.745 1.00 11.34 H new ATOM 0 HD3 LYS A 13 -12.100 -6.069 -22.399 1.00 11.34 H new ATOM 0 HE2 LYS A 13 -12.926 -8.071 -23.273 1.00 32.23 H new ATOM 0 HE3 LYS A 13 -12.651 -8.962 -21.789 1.00 32.23 H new ATOM 0 HZ1 LYS A 13 -15.000 -8.575 -22.157 1.00 4.14 H new ATOM 0 HZ2 LYS A 13 -14.491 -7.758 -20.758 1.00 4.14 H new ATOM 0 HZ3 LYS A 13 -14.757 -6.895 -22.196 1.00 4.14 H new ATOM 226 N GLY A 14 -8.036 -3.759 -20.231 1.00 14.43 N ATOM 227 CA GLY A 14 -7.616 -2.709 -19.321 1.00 44.02 C ATOM 228 C GLY A 14 -7.506 -3.192 -17.889 1.00 34.43 C ATOM 229 O GLY A 14 -7.849 -2.468 -16.954 1.00 2.11 O ATOM 0 H GLY A 14 -7.282 -4.348 -20.584 1.00 14.43 H new ATOM 0 HA2 GLY A 14 -6.652 -2.317 -19.644 1.00 44.02 H new ATOM 0 HA3 GLY A 14 -8.327 -1.885 -19.369 1.00 44.02 H new ATOM 233 N TYR A 15 -7.030 -4.420 -17.715 1.00 63.02 N ATOM 234 CA TYR A 15 -6.880 -5.001 -16.386 1.00 74.13 C ATOM 235 C TYR A 15 -5.638 -5.883 -16.314 1.00 62.40 C ATOM 236 O TYR A 15 -4.996 -6.156 -17.328 1.00 32.14 O ATOM 237 CB TYR A 15 -8.121 -5.818 -16.021 1.00 52.24 C ATOM 238 CG TYR A 15 -8.177 -7.169 -16.697 1.00 71.05 C ATOM 239 CD1 TYR A 15 -8.195 -7.274 -18.083 1.00 34.10 C ATOM 240 CD2 TYR A 15 -8.213 -8.340 -15.951 1.00 63.43 C ATOM 241 CE1 TYR A 15 -8.247 -8.506 -18.705 1.00 71.52 C ATOM 242 CE2 TYR A 15 -8.263 -9.577 -16.565 1.00 0.00 C ATOM 243 CZ TYR A 15 -8.280 -9.655 -17.942 1.00 13.10 C ATOM 244 OH TYR A 15 -8.332 -10.885 -18.557 1.00 42.20 O ATOM 0 H TYR A 15 -6.741 -5.032 -18.478 1.00 63.02 H new ATOM 0 HA TYR A 15 -6.766 -4.186 -15.672 1.00 74.13 H new ATOM 0 HB2 TYR A 15 -8.147 -5.960 -14.941 1.00 52.24 H new ATOM 0 HB3 TYR A 15 -9.012 -5.250 -16.289 1.00 52.24 H new ATOM 0 HD1 TYR A 15 -8.168 -6.377 -18.684 1.00 34.10 H new ATOM 0 HD2 TYR A 15 -8.202 -8.283 -14.873 1.00 63.43 H new ATOM 0 HE1 TYR A 15 -8.262 -8.570 -19.783 1.00 71.52 H new ATOM 0 HE2 TYR A 15 -8.289 -10.478 -15.970 1.00 0.00 H new ATOM 0 HH TYR A 15 -8.349 -11.590 -17.877 1.00 42.20 H new ATOM 254 N GLY A 16 -5.305 -6.328 -15.106 1.00 4.52 N ATOM 255 CA GLY A 16 -4.141 -7.175 -14.922 1.00 1.23 C ATOM 256 C GLY A 16 -3.983 -7.639 -13.487 1.00 44.14 C ATOM 257 O GLY A 16 -4.776 -7.276 -12.619 1.00 30.13 O ATOM 0 H GLY A 16 -5.821 -6.117 -14.252 1.00 4.52 H new ATOM 0 HA2 GLY A 16 -4.221 -8.044 -15.575 1.00 1.23 H new ATOM 0 HA3 GLY A 16 -3.247 -6.630 -15.225 1.00 1.23 H new ATOM 261 N PHE A 17 -2.956 -8.445 -13.238 1.00 31.11 N ATOM 262 CA PHE A 17 -2.698 -8.962 -11.899 1.00 62.11 C ATOM 263 C PHE A 17 -1.216 -8.858 -11.552 1.00 44.43 C ATOM 264 O PHE A 17 -0.352 -9.081 -12.401 1.00 24.53 O ATOM 265 CB PHE A 17 -3.156 -10.418 -11.794 1.00 73.13 C ATOM 266 CG PHE A 17 -4.650 -10.575 -11.757 1.00 24.23 C ATOM 267 CD1 PHE A 17 -5.417 -10.295 -12.875 1.00 74.04 C ATOM 268 CD2 PHE A 17 -5.285 -11.002 -10.602 1.00 75.51 C ATOM 269 CE1 PHE A 17 -6.792 -10.439 -12.844 1.00 42.23 C ATOM 270 CE2 PHE A 17 -6.659 -11.149 -10.565 1.00 53.42 C ATOM 271 CZ PHE A 17 -7.413 -10.865 -11.687 1.00 75.21 C ATOM 0 H PHE A 17 -2.289 -8.754 -13.945 1.00 31.11 H new ATOM 0 HA PHE A 17 -3.263 -8.358 -11.189 1.00 62.11 H new ATOM 0 HB2 PHE A 17 -2.761 -10.977 -12.642 1.00 73.13 H new ATOM 0 HB3 PHE A 17 -2.730 -10.861 -10.894 1.00 73.13 H new ATOM 0 HD1 PHE A 17 -4.936 -9.960 -13.782 1.00 74.04 H new ATOM 0 HD2 PHE A 17 -4.700 -11.222 -9.721 1.00 75.51 H new ATOM 0 HE1 PHE A 17 -7.379 -10.219 -13.723 1.00 42.23 H new ATOM 0 HE2 PHE A 17 -7.142 -11.486 -9.660 1.00 53.42 H new ATOM 0 HZ PHE A 17 -8.487 -10.976 -11.659 1.00 75.21 H new ATOM 281 N ILE A 18 -0.930 -8.516 -10.301 1.00 3.45 N ATOM 282 CA ILE A 18 0.447 -8.382 -9.841 1.00 41.12 C ATOM 283 C ILE A 18 0.741 -9.345 -8.696 1.00 14.12 C ATOM 284 O ILE A 18 -0.108 -9.578 -7.836 1.00 74.41 O ATOM 285 CB ILE A 18 0.749 -6.944 -9.378 1.00 60.33 C ATOM 286 CG1 ILE A 18 0.510 -5.956 -10.522 1.00 23.30 C ATOM 287 CG2 ILE A 18 2.180 -6.841 -8.871 1.00 53.54 C ATOM 288 CD1 ILE A 18 0.120 -4.572 -10.053 1.00 72.21 C ATOM 0 H ILE A 18 -1.633 -8.326 -9.587 1.00 3.45 H new ATOM 0 HA ILE A 18 1.087 -8.624 -10.689 1.00 41.12 H new ATOM 0 HB ILE A 18 0.075 -6.692 -8.559 1.00 60.33 H new ATOM 0 HG12 ILE A 18 1.415 -5.885 -11.125 1.00 23.30 H new ATOM 0 HG13 ILE A 18 -0.275 -6.346 -11.170 1.00 23.30 H new ATOM 0 HG21 ILE A 18 2.379 -5.819 -8.547 1.00 53.54 H new ATOM 0 HG22 ILE A 18 2.318 -7.521 -8.031 1.00 53.54 H new ATOM 0 HG23 ILE A 18 2.870 -7.109 -9.671 1.00 53.54 H new ATOM 0 HD11 ILE A 18 -0.033 -3.925 -10.917 1.00 72.21 H new ATOM 0 HD12 ILE A 18 -0.802 -4.630 -9.475 1.00 72.21 H new ATOM 0 HD13 ILE A 18 0.914 -4.162 -9.429 1.00 72.21 H new ATOM 300 N GLN A 19 1.949 -9.899 -8.691 1.00 34.22 N ATOM 301 CA GLN A 19 2.354 -10.836 -7.650 1.00 22.21 C ATOM 302 C GLN A 19 3.472 -10.249 -6.794 1.00 53.11 C ATOM 303 O GLN A 19 4.546 -9.924 -7.298 1.00 63.54 O ATOM 304 CB GLN A 19 2.813 -12.156 -8.273 1.00 14.03 C ATOM 305 CG GLN A 19 2.001 -12.568 -9.490 1.00 61.42 C ATOM 306 CD GLN A 19 0.509 -12.566 -9.225 1.00 35.12 C ATOM 307 OE1 GLN A 19 0.020 -13.288 -8.356 1.00 33.45 O ATOM 308 NE2 GLN A 19 -0.225 -11.751 -9.974 1.00 60.42 N ATOM 0 H GLN A 19 2.664 -9.715 -9.395 1.00 34.22 H new ATOM 0 HA GLN A 19 1.492 -11.024 -7.010 1.00 22.21 H new ATOM 0 HB2 GLN A 19 3.861 -12.068 -8.558 1.00 14.03 H new ATOM 0 HB3 GLN A 19 2.752 -12.944 -7.522 1.00 14.03 H new ATOM 0 HG2 GLN A 19 2.220 -11.890 -10.315 1.00 61.42 H new ATOM 0 HG3 GLN A 19 2.308 -13.565 -9.806 1.00 61.42 H new ATOM 0 HE21 GLN A 19 0.221 -11.170 -10.683 1.00 60.42 H new ATOM 0 HE22 GLN A 19 -1.235 -11.706 -9.840 1.00 60.42 H new ATOM 317 N GLN A 20 3.210 -10.115 -5.498 1.00 33.10 N ATOM 318 CA GLN A 20 4.194 -9.566 -4.573 1.00 12.40 C ATOM 319 C GLN A 20 4.791 -10.663 -3.698 1.00 62.04 C ATOM 320 O GLN A 20 4.582 -11.850 -3.947 1.00 41.22 O ATOM 321 CB GLN A 20 3.554 -8.489 -3.695 1.00 11.12 C ATOM 322 CG GLN A 20 2.379 -8.993 -2.873 1.00 21.55 C ATOM 323 CD GLN A 20 2.116 -8.141 -1.647 1.00 32.23 C ATOM 324 OE1 GLN A 20 3.047 -7.686 -0.981 1.00 74.41 O ATOM 325 NE2 GLN A 20 0.843 -7.920 -1.342 1.00 14.15 N ATOM 0 H GLN A 20 2.325 -10.379 -5.065 1.00 33.10 H new ATOM 0 HA GLN A 20 4.996 -9.118 -5.160 1.00 12.40 H new ATOM 0 HB2 GLN A 20 4.310 -8.084 -3.022 1.00 11.12 H new ATOM 0 HB3 GLN A 20 3.218 -7.668 -4.328 1.00 11.12 H new ATOM 0 HG2 GLN A 20 1.485 -9.011 -3.497 1.00 21.55 H new ATOM 0 HG3 GLN A 20 2.572 -10.020 -2.563 1.00 21.55 H new ATOM 0 HE21 GLN A 20 0.103 -8.317 -1.922 1.00 14.15 H new ATOM 0 HE22 GLN A 20 0.605 -7.354 -0.528 1.00 14.15 H new ATOM 334 N GLU A 21 5.535 -10.257 -2.674 1.00 65.53 N ATOM 335 CA GLU A 21 6.164 -11.208 -1.764 1.00 51.31 C ATOM 336 C GLU A 21 5.113 -11.957 -0.950 1.00 24.42 C ATOM 337 O GLU A 21 5.346 -13.079 -0.501 1.00 61.32 O ATOM 338 CB GLU A 21 7.132 -10.485 -0.826 1.00 3.35 C ATOM 339 CG GLU A 21 8.066 -9.521 -1.539 1.00 30.23 C ATOM 340 CD GLU A 21 9.174 -9.009 -0.639 1.00 11.00 C ATOM 341 OE1 GLU A 21 8.957 -8.937 0.588 1.00 15.55 O ATOM 342 OE2 GLU A 21 10.259 -8.681 -1.163 1.00 51.32 O ATOM 0 H GLU A 21 5.717 -9.278 -2.454 1.00 65.53 H new ATOM 0 HA GLU A 21 6.720 -11.931 -2.361 1.00 51.31 H new ATOM 0 HB2 GLU A 21 6.559 -9.936 -0.079 1.00 3.35 H new ATOM 0 HB3 GLU A 21 7.727 -11.225 -0.291 1.00 3.35 H new ATOM 0 HG2 GLU A 21 8.506 -10.019 -2.403 1.00 30.23 H new ATOM 0 HG3 GLU A 21 7.490 -8.676 -1.917 1.00 30.23 H new ATOM 349 N GLU A 22 3.957 -11.328 -0.763 1.00 45.24 N ATOM 350 CA GLU A 22 2.872 -11.935 -0.002 1.00 40.20 C ATOM 351 C GLU A 22 2.595 -13.355 -0.487 1.00 2.01 C ATOM 352 O GLU A 22 2.929 -14.329 0.187 1.00 52.31 O ATOM 353 CB GLU A 22 1.603 -11.088 -0.118 1.00 33.15 C ATOM 354 CG GLU A 22 1.567 -9.910 0.841 1.00 25.14 C ATOM 355 CD GLU A 22 1.747 -10.329 2.288 1.00 71.44 C ATOM 356 OE1 GLU A 22 0.734 -10.661 2.938 1.00 31.14 O ATOM 357 OE2 GLU A 22 2.899 -10.326 2.768 1.00 2.34 O ATOM 0 H GLU A 22 3.748 -10.399 -1.128 1.00 45.24 H new ATOM 0 HA GLU A 22 3.176 -11.980 1.044 1.00 40.20 H new ATOM 0 HB2 GLU A 22 1.516 -10.717 -1.139 1.00 33.15 H new ATOM 0 HB3 GLU A 22 0.735 -11.722 0.066 1.00 33.15 H new ATOM 0 HG2 GLU A 22 2.351 -9.203 0.571 1.00 25.14 H new ATOM 0 HG3 GLU A 22 0.616 -9.388 0.734 1.00 25.14 H new ATOM 364 N GLY A 23 1.981 -13.464 -1.661 1.00 65.14 N ATOM 365 CA GLY A 23 1.669 -14.768 -2.217 1.00 10.12 C ATOM 366 C GLY A 23 0.609 -14.699 -3.298 1.00 12.40 C ATOM 367 O GLY A 23 0.869 -14.967 -4.471 1.00 4.10 O ATOM 0 H GLY A 23 1.694 -12.673 -2.237 1.00 65.14 H new ATOM 0 HA2 GLY A 23 2.576 -15.210 -2.630 1.00 10.12 H new ATOM 0 HA3 GLY A 23 1.327 -15.427 -1.419 1.00 10.12 H new ATOM 371 N PRO A 24 -0.620 -14.333 -2.904 1.00 51.45 N ATOM 372 CA PRO A 24 -1.749 -14.222 -3.834 1.00 5.44 C ATOM 373 C PRO A 24 -1.598 -13.044 -4.791 1.00 23.23 C ATOM 374 O PRO A 24 -0.767 -12.161 -4.578 1.00 25.33 O ATOM 375 CB PRO A 24 -2.950 -14.009 -2.909 1.00 43.30 C ATOM 376 CG PRO A 24 -2.375 -13.403 -1.675 1.00 32.51 C ATOM 377 CD PRO A 24 -1.003 -13.998 -1.522 1.00 64.33 C ATOM 0 HA PRO A 24 -1.837 -15.099 -4.475 1.00 5.44 H new ATOM 0 HB2 PRO A 24 -3.690 -13.351 -3.366 1.00 43.30 H new ATOM 0 HB3 PRO A 24 -3.453 -14.951 -2.690 1.00 43.30 H new ATOM 0 HG2 PRO A 24 -2.322 -12.318 -1.761 1.00 32.51 H new ATOM 0 HG3 PRO A 24 -2.995 -13.624 -0.806 1.00 32.51 H new ATOM 0 HD2 PRO A 24 -0.306 -13.291 -1.072 1.00 64.33 H new ATOM 0 HD3 PRO A 24 -1.017 -14.881 -0.884 1.00 64.33 H new ATOM 385 N ASP A 25 -2.406 -13.037 -5.845 1.00 34.24 N ATOM 386 CA ASP A 25 -2.364 -11.967 -6.834 1.00 42.30 C ATOM 387 C ASP A 25 -3.158 -10.755 -6.358 1.00 11.43 C ATOM 388 O ASP A 25 -3.759 -10.776 -5.283 1.00 44.22 O ATOM 389 CB ASP A 25 -2.915 -12.459 -8.173 1.00 43.13 C ATOM 390 CG ASP A 25 -4.313 -13.031 -8.049 1.00 31.21 C ATOM 391 OD1 ASP A 25 -5.204 -12.317 -7.541 1.00 63.53 O ATOM 392 OD2 ASP A 25 -4.517 -14.192 -8.460 1.00 32.41 O ATOM 0 H ASP A 25 -3.099 -13.761 -6.037 1.00 34.24 H new ATOM 0 HA ASP A 25 -1.324 -11.669 -6.965 1.00 42.30 H new ATOM 0 HB2 ASP A 25 -2.925 -11.633 -8.884 1.00 43.13 H new ATOM 0 HB3 ASP A 25 -2.249 -13.220 -8.579 1.00 43.13 H new ATOM 397 N VAL A 26 -3.156 -9.698 -7.164 1.00 51.12 N ATOM 398 CA VAL A 26 -3.876 -8.476 -6.825 1.00 73.35 C ATOM 399 C VAL A 26 -4.681 -7.965 -8.015 1.00 42.22 C ATOM 400 O VAL A 26 -4.311 -8.185 -9.169 1.00 15.11 O ATOM 401 CB VAL A 26 -2.914 -7.369 -6.356 1.00 62.04 C ATOM 402 CG1 VAL A 26 -2.500 -6.490 -7.527 1.00 14.33 C ATOM 403 CG2 VAL A 26 -3.554 -6.538 -5.255 1.00 34.22 C ATOM 0 H VAL A 26 -2.664 -9.663 -8.057 1.00 51.12 H new ATOM 0 HA VAL A 26 -4.556 -8.725 -6.010 1.00 73.35 H new ATOM 0 HB VAL A 26 -2.018 -7.838 -5.950 1.00 62.04 H new ATOM 0 HG11 VAL A 26 -1.820 -5.713 -7.176 1.00 14.33 H new ATOM 0 HG12 VAL A 26 -1.998 -7.099 -8.279 1.00 14.33 H new ATOM 0 HG13 VAL A 26 -3.384 -6.027 -7.965 1.00 14.33 H new ATOM 0 HG21 VAL A 26 -2.860 -5.761 -4.936 1.00 34.22 H new ATOM 0 HG22 VAL A 26 -4.467 -6.077 -5.631 1.00 34.22 H new ATOM 0 HG23 VAL A 26 -3.794 -7.180 -4.408 1.00 34.22 H new ATOM 413 N PHE A 27 -5.783 -7.280 -7.727 1.00 23.21 N ATOM 414 CA PHE A 27 -6.641 -6.737 -8.773 1.00 41.12 C ATOM 415 C PHE A 27 -6.130 -5.379 -9.246 1.00 24.14 C ATOM 416 O PHE A 27 -6.092 -4.416 -8.479 1.00 73.24 O ATOM 417 CB PHE A 27 -8.078 -6.605 -8.266 1.00 14.12 C ATOM 418 CG PHE A 27 -9.113 -6.810 -9.335 1.00 62.52 C ATOM 419 CD1 PHE A 27 -9.534 -8.086 -9.674 1.00 30.30 C ATOM 420 CD2 PHE A 27 -9.664 -5.728 -10.001 1.00 74.04 C ATOM 421 CE1 PHE A 27 -10.485 -8.278 -10.658 1.00 71.12 C ATOM 422 CE2 PHE A 27 -10.616 -5.914 -10.986 1.00 53.33 C ATOM 423 CZ PHE A 27 -11.028 -7.191 -11.314 1.00 42.53 C ATOM 0 H PHE A 27 -6.103 -7.088 -6.778 1.00 23.21 H new ATOM 0 HA PHE A 27 -6.623 -7.426 -9.617 1.00 41.12 H new ATOM 0 HB2 PHE A 27 -8.242 -7.331 -7.469 1.00 14.12 H new ATOM 0 HB3 PHE A 27 -8.211 -5.616 -7.828 1.00 14.12 H new ATOM 0 HD1 PHE A 27 -9.114 -8.940 -9.163 1.00 30.30 H new ATOM 0 HD2 PHE A 27 -9.346 -4.727 -9.748 1.00 74.04 H new ATOM 0 HE1 PHE A 27 -10.803 -9.278 -10.914 1.00 71.12 H new ATOM 0 HE2 PHE A 27 -11.037 -5.062 -11.499 1.00 53.33 H new ATOM 0 HZ PHE A 27 -11.773 -7.339 -12.082 1.00 42.53 H new ATOM 433 N VAL A 28 -5.736 -5.310 -10.513 1.00 64.23 N ATOM 434 CA VAL A 28 -5.227 -4.071 -11.089 1.00 63.24 C ATOM 435 C VAL A 28 -5.999 -3.693 -12.348 1.00 42.33 C ATOM 436 O VAL A 28 -6.405 -4.558 -13.124 1.00 61.34 O ATOM 437 CB VAL A 28 -3.730 -4.186 -11.433 1.00 43.45 C ATOM 438 CG1 VAL A 28 -3.086 -5.318 -10.648 1.00 11.12 C ATOM 439 CG2 VAL A 28 -3.541 -4.389 -12.929 1.00 73.22 C ATOM 0 H VAL A 28 -5.759 -6.098 -11.161 1.00 64.23 H new ATOM 0 HA VAL A 28 -5.361 -3.293 -10.337 1.00 63.24 H new ATOM 0 HB VAL A 28 -3.238 -3.255 -11.151 1.00 43.45 H new ATOM 0 HG11 VAL A 28 -2.029 -5.383 -10.905 1.00 11.12 H new ATOM 0 HG12 VAL A 28 -3.189 -5.125 -9.580 1.00 11.12 H new ATOM 0 HG13 VAL A 28 -3.578 -6.258 -10.896 1.00 11.12 H new ATOM 0 HG21 VAL A 28 -2.477 -4.468 -13.154 1.00 73.22 H new ATOM 0 HG22 VAL A 28 -4.046 -5.304 -13.239 1.00 73.22 H new ATOM 0 HG23 VAL A 28 -3.964 -3.541 -13.468 1.00 73.22 H new ATOM 449 N HIS A 29 -6.198 -2.393 -12.545 1.00 71.34 N ATOM 450 CA HIS A 29 -6.921 -1.899 -13.712 1.00 31.12 C ATOM 451 C HIS A 29 -6.330 -0.580 -14.199 1.00 4.32 C ATOM 452 O HIS A 29 -5.644 0.118 -13.452 1.00 4.23 O ATOM 453 CB HIS A 29 -8.402 -1.716 -13.380 1.00 13.31 C ATOM 454 CG HIS A 29 -9.253 -2.884 -13.773 1.00 53.21 C ATOM 455 ND1 HIS A 29 -10.204 -2.820 -14.770 1.00 34.44 N ATOM 456 CD2 HIS A 29 -9.291 -4.151 -13.299 1.00 13.12 C ATOM 457 CE1 HIS A 29 -10.792 -3.998 -14.890 1.00 43.40 C ATOM 458 NE2 HIS A 29 -10.256 -4.823 -14.009 1.00 45.12 N ATOM 0 H HIS A 29 -5.869 -1.664 -11.912 1.00 71.34 H new ATOM 0 HA HIS A 29 -6.823 -2.636 -14.509 1.00 31.12 H new ATOM 0 HB2 HIS A 29 -8.507 -1.545 -12.309 1.00 13.31 H new ATOM 0 HB3 HIS A 29 -8.771 -0.822 -13.884 1.00 13.31 H new ATOM 0 HD2 HIS A 29 -8.677 -4.558 -12.509 1.00 13.12 H new ATOM 0 HE1 HIS A 29 -11.577 -4.244 -15.590 1.00 43.40 H new ATOM 0 HE2 HIS A 29 -10.516 -5.800 -13.877 1.00 45.12 H new ATOM 466 N PHE A 30 -6.599 -0.244 -15.456 1.00 72.31 N ATOM 467 CA PHE A 30 -6.092 0.990 -16.043 1.00 52.45 C ATOM 468 C PHE A 30 -6.610 2.207 -15.282 1.00 43.42 C ATOM 469 O PHE A 30 -6.047 3.299 -15.376 1.00 21.23 O ATOM 470 CB PHE A 30 -6.499 1.085 -17.515 1.00 73.44 C ATOM 471 CG PHE A 30 -7.929 1.498 -17.717 1.00 10.43 C ATOM 472 CD1 PHE A 30 -8.965 0.631 -17.410 1.00 21.03 C ATOM 473 CD2 PHE A 30 -8.237 2.755 -18.213 1.00 71.35 C ATOM 474 CE1 PHE A 30 -10.282 1.009 -17.593 1.00 62.34 C ATOM 475 CE2 PHE A 30 -9.552 3.138 -18.399 1.00 1.12 C ATOM 476 CZ PHE A 30 -10.575 2.264 -18.090 1.00 35.34 C ATOM 0 H PHE A 30 -7.166 -0.810 -16.088 1.00 72.31 H new ATOM 0 HA PHE A 30 -5.004 0.975 -15.974 1.00 52.45 H new ATOM 0 HB2 PHE A 30 -5.848 1.800 -18.018 1.00 73.44 H new ATOM 0 HB3 PHE A 30 -6.338 0.118 -17.991 1.00 73.44 H new ATOM 0 HD1 PHE A 30 -8.741 -0.352 -17.023 1.00 21.03 H new ATOM 0 HD2 PHE A 30 -7.441 3.443 -18.457 1.00 71.35 H new ATOM 0 HE1 PHE A 30 -11.080 0.324 -17.348 1.00 62.34 H new ATOM 0 HE2 PHE A 30 -9.779 4.120 -18.786 1.00 1.12 H new ATOM 0 HZ PHE A 30 -11.603 2.561 -18.237 1.00 35.34 H new ATOM 486 N THR A 31 -7.687 2.012 -14.528 1.00 0.20 N ATOM 487 CA THR A 31 -8.282 3.092 -13.752 1.00 14.43 C ATOM 488 C THR A 31 -7.583 3.253 -12.407 1.00 10.22 C ATOM 489 O THR A 31 -7.991 4.066 -11.578 1.00 2.31 O ATOM 490 CB THR A 31 -9.784 2.849 -13.511 1.00 12.24 C ATOM 491 OG1 THR A 31 -9.971 1.645 -12.758 1.00 10.40 O ATOM 492 CG2 THR A 31 -10.535 2.750 -14.830 1.00 40.00 C ATOM 0 H THR A 31 -8.165 1.115 -14.438 1.00 0.20 H new ATOM 0 HA THR A 31 -8.158 4.005 -14.334 1.00 14.43 H new ATOM 0 HB THR A 31 -10.180 3.694 -12.948 1.00 12.24 H new ATOM 0 HG1 THR A 31 -10.928 1.499 -12.608 1.00 10.40 H new ATOM 0 HG21 THR A 31 -11.593 2.578 -14.634 1.00 40.00 H new ATOM 0 HG22 THR A 31 -10.415 3.679 -15.388 1.00 40.00 H new ATOM 0 HG23 THR A 31 -10.135 1.922 -15.415 1.00 40.00 H new ATOM 500 N ALA A 32 -6.527 2.474 -12.197 1.00 73.31 N ATOM 501 CA ALA A 32 -5.770 2.532 -10.953 1.00 45.23 C ATOM 502 C ALA A 32 -4.299 2.837 -11.220 1.00 73.50 C ATOM 503 O ALA A 32 -3.630 3.473 -10.406 1.00 12.42 O ATOM 504 CB ALA A 32 -5.909 1.225 -10.188 1.00 74.41 C ATOM 0 H ALA A 32 -6.176 1.795 -12.873 1.00 73.31 H new ATOM 0 HA ALA A 32 -6.178 3.340 -10.346 1.00 45.23 H new ATOM 0 HB1 ALA A 32 -5.338 1.283 -9.261 1.00 74.41 H new ATOM 0 HB2 ALA A 32 -6.959 1.049 -9.957 1.00 74.41 H new ATOM 0 HB3 ALA A 32 -5.529 0.405 -10.797 1.00 74.41 H new ATOM 510 N ILE A 33 -3.803 2.377 -12.364 1.00 1.23 N ATOM 511 CA ILE A 33 -2.412 2.601 -12.737 1.00 2.32 C ATOM 512 C ILE A 33 -2.042 4.076 -12.619 1.00 24.14 C ATOM 513 O ILE A 33 -2.714 4.941 -13.178 1.00 52.02 O ATOM 514 CB ILE A 33 -2.131 2.127 -14.175 1.00 31.21 C ATOM 515 CG1 ILE A 33 -2.160 0.599 -14.246 1.00 34.31 C ATOM 516 CG2 ILE A 33 -0.790 2.659 -14.656 1.00 4.20 C ATOM 517 CD1 ILE A 33 -2.672 0.065 -15.565 1.00 61.25 C ATOM 0 H ILE A 33 -4.343 1.847 -13.048 1.00 1.23 H new ATOM 0 HA ILE A 33 -1.803 2.019 -12.046 1.00 2.32 H new ATOM 0 HB ILE A 33 -2.910 2.518 -14.829 1.00 31.21 H new ATOM 0 HG12 ILE A 33 -1.154 0.216 -14.074 1.00 34.31 H new ATOM 0 HG13 ILE A 33 -2.788 0.218 -13.441 1.00 34.31 H new ATOM 0 HG21 ILE A 33 -0.606 2.315 -15.674 1.00 4.20 H new ATOM 0 HG22 ILE A 33 -0.803 3.749 -14.638 1.00 4.20 H new ATOM 0 HG23 ILE A 33 0.002 2.295 -14.001 1.00 4.20 H new ATOM 0 HD11 ILE A 33 -2.665 -1.025 -15.544 1.00 61.25 H new ATOM 0 HD12 ILE A 33 -3.690 0.418 -15.730 1.00 61.25 H new ATOM 0 HD13 ILE A 33 -2.031 0.416 -16.373 1.00 61.25 H new ATOM 529 N GLU A 34 -0.966 4.354 -11.888 1.00 34.22 N ATOM 530 CA GLU A 34 -0.506 5.724 -11.698 1.00 14.45 C ATOM 531 C GLU A 34 0.746 5.998 -12.525 1.00 61.23 C ATOM 532 O GLU A 34 1.866 5.759 -12.074 1.00 14.13 O ATOM 533 CB GLU A 34 -0.221 5.989 -10.218 1.00 1.22 C ATOM 534 CG GLU A 34 -1.420 5.753 -9.315 1.00 1.02 C ATOM 535 CD GLU A 34 -2.141 7.037 -8.955 1.00 54.42 C ATOM 536 OE1 GLU A 34 -1.497 7.940 -8.381 1.00 71.21 O ATOM 537 OE2 GLU A 34 -3.351 7.140 -9.249 1.00 31.44 O ATOM 0 H GLU A 34 -0.398 3.649 -11.419 1.00 34.22 H new ATOM 0 HA GLU A 34 -1.296 6.395 -12.035 1.00 14.45 H new ATOM 0 HB2 GLU A 34 0.599 5.348 -9.894 1.00 1.22 H new ATOM 0 HB3 GLU A 34 0.115 7.019 -10.100 1.00 1.22 H new ATOM 0 HG2 GLU A 34 -2.116 5.077 -9.811 1.00 1.02 H new ATOM 0 HG3 GLU A 34 -1.090 5.258 -8.402 1.00 1.02 H new ATOM 544 N ALA A 35 0.548 6.499 -13.740 1.00 15.31 N ATOM 545 CA ALA A 35 1.660 6.807 -14.631 1.00 33.34 C ATOM 546 C ALA A 35 1.413 8.106 -15.389 1.00 55.22 C ATOM 547 O ALA A 35 0.323 8.675 -15.326 1.00 55.22 O ATOM 548 CB ALA A 35 1.888 5.660 -15.604 1.00 43.24 C ATOM 0 H ALA A 35 -0.373 6.700 -14.130 1.00 15.31 H new ATOM 0 HA ALA A 35 2.556 6.938 -14.023 1.00 33.34 H new ATOM 0 HB1 ALA A 35 2.721 5.903 -16.264 1.00 43.24 H new ATOM 0 HB2 ALA A 35 2.118 4.751 -15.048 1.00 43.24 H new ATOM 0 HB3 ALA A 35 0.988 5.503 -16.199 1.00 43.24 H new ATOM 554 N ASP A 36 2.431 8.571 -16.105 1.00 32.23 N ATOM 555 CA ASP A 36 2.324 9.804 -16.876 1.00 73.20 C ATOM 556 C ASP A 36 2.171 9.503 -18.364 1.00 33.44 C ATOM 557 O ASP A 36 3.107 9.679 -19.143 1.00 15.25 O ATOM 558 CB ASP A 36 3.553 10.684 -16.645 1.00 22.42 C ATOM 559 CG ASP A 36 3.364 11.652 -15.494 1.00 1.11 C ATOM 560 OD1 ASP A 36 3.624 11.258 -14.338 1.00 62.52 O ATOM 561 OD2 ASP A 36 2.955 12.804 -15.749 1.00 10.42 O ATOM 0 H ASP A 36 3.340 8.112 -16.167 1.00 32.23 H new ATOM 0 HA ASP A 36 1.436 10.338 -16.538 1.00 73.20 H new ATOM 0 HB2 ASP A 36 4.417 10.051 -16.445 1.00 22.42 H new ATOM 0 HB3 ASP A 36 3.772 11.244 -17.554 1.00 22.42 H new ATOM 566 N GLY A 37 0.984 9.046 -18.751 1.00 33.50 N ATOM 567 CA GLY A 37 0.730 8.726 -20.144 1.00 23.23 C ATOM 568 C GLY A 37 0.305 7.284 -20.339 1.00 43.05 C ATOM 569 O GLY A 37 0.864 6.376 -19.724 1.00 72.53 O ATOM 0 H GLY A 37 0.194 8.892 -18.125 1.00 33.50 H new ATOM 0 HA2 GLY A 37 -0.047 9.386 -20.529 1.00 23.23 H new ATOM 0 HA3 GLY A 37 1.630 8.919 -20.728 1.00 23.23 H new ATOM 573 N PHE A 38 -0.687 7.073 -21.197 1.00 74.24 N ATOM 574 CA PHE A 38 -1.189 5.731 -21.471 1.00 12.14 C ATOM 575 C PHE A 38 -0.050 4.792 -21.856 1.00 43.32 C ATOM 576 O PHE A 38 0.708 5.068 -22.787 1.00 32.13 O ATOM 577 CB PHE A 38 -2.232 5.772 -22.589 1.00 73.33 C ATOM 578 CG PHE A 38 -1.686 6.259 -23.901 1.00 11.33 C ATOM 579 CD1 PHE A 38 -1.577 7.616 -24.159 1.00 43.13 C ATOM 580 CD2 PHE A 38 -1.283 5.361 -24.875 1.00 63.32 C ATOM 581 CE1 PHE A 38 -1.074 8.068 -25.365 1.00 12.21 C ATOM 582 CE2 PHE A 38 -0.779 5.807 -26.082 1.00 71.15 C ATOM 583 CZ PHE A 38 -0.676 7.162 -26.328 1.00 42.22 C ATOM 0 H PHE A 38 -1.160 7.814 -21.715 1.00 74.24 H new ATOM 0 HA PHE A 38 -1.656 5.352 -20.562 1.00 12.14 H new ATOM 0 HB2 PHE A 38 -2.646 4.773 -22.725 1.00 73.33 H new ATOM 0 HB3 PHE A 38 -3.054 6.419 -22.284 1.00 73.33 H new ATOM 0 HD1 PHE A 38 -1.888 8.329 -23.410 1.00 43.13 H new ATOM 0 HD2 PHE A 38 -1.363 4.300 -24.689 1.00 63.32 H new ATOM 0 HE1 PHE A 38 -0.993 9.128 -25.554 1.00 12.21 H new ATOM 0 HE2 PHE A 38 -0.466 5.096 -26.832 1.00 71.15 H new ATOM 0 HZ PHE A 38 -0.285 7.512 -27.272 1.00 42.22 H new ATOM 593 N ARG A 39 0.065 3.683 -21.134 1.00 22.14 N ATOM 594 CA ARG A 39 1.113 2.704 -21.398 1.00 74.11 C ATOM 595 C ARG A 39 0.790 1.369 -20.732 1.00 43.40 C ATOM 596 O ARG A 39 0.484 1.315 -19.540 1.00 45.23 O ATOM 597 CB ARG A 39 2.463 3.222 -20.899 1.00 14.31 C ATOM 598 CG ARG A 39 3.638 2.786 -21.758 1.00 21.52 C ATOM 599 CD ARG A 39 4.177 1.433 -21.318 1.00 50.23 C ATOM 600 NE ARG A 39 5.549 1.217 -21.771 1.00 12.44 N ATOM 601 CZ ARG A 39 5.865 0.832 -23.002 1.00 55.30 C ATOM 602 NH1 ARG A 39 4.911 0.622 -23.899 1.00 44.24 N ATOM 603 NH2 ARG A 39 7.136 0.657 -23.338 1.00 42.11 N ATOM 0 H ARG A 39 -0.555 3.439 -20.361 1.00 22.14 H new ATOM 0 HA ARG A 39 1.168 2.549 -22.476 1.00 74.11 H new ATOM 0 HB2 ARG A 39 2.434 4.311 -20.864 1.00 14.31 H new ATOM 0 HB3 ARG A 39 2.621 2.874 -19.878 1.00 14.31 H new ATOM 0 HG2 ARG A 39 3.328 2.734 -22.802 1.00 21.52 H new ATOM 0 HG3 ARG A 39 4.431 3.532 -21.698 1.00 21.52 H new ATOM 0 HD2 ARG A 39 4.139 1.364 -20.231 1.00 50.23 H new ATOM 0 HD3 ARG A 39 3.537 0.643 -21.710 1.00 50.23 H new ATOM 0 HE ARG A 39 6.306 1.370 -21.105 1.00 12.44 H new ATOM 0 HH11 ARG A 39 3.933 0.756 -23.644 1.00 44.24 H new ATOM 0 HH12 ARG A 39 5.156 0.326 -24.844 1.00 44.24 H new ATOM 0 HH21 ARG A 39 7.872 0.818 -22.651 1.00 42.11 H new ATOM 0 HH22 ARG A 39 7.377 0.361 -24.284 1.00 42.11 H new ATOM 617 N THR A 40 0.860 0.293 -21.510 1.00 2.43 N ATOM 618 CA THR A 40 0.574 -1.040 -20.997 1.00 24.44 C ATOM 619 C THR A 40 1.779 -1.616 -20.261 1.00 20.21 C ATOM 620 O THR A 40 2.854 -1.015 -20.242 1.00 51.24 O ATOM 621 CB THR A 40 0.170 -2.003 -22.129 1.00 24.31 C ATOM 622 OG1 THR A 40 -0.313 -3.233 -21.577 1.00 72.01 O ATOM 623 CG2 THR A 40 1.350 -2.283 -23.048 1.00 31.21 C ATOM 0 H THR A 40 1.112 0.320 -22.498 1.00 2.43 H new ATOM 0 HA THR A 40 -0.259 -0.939 -20.302 1.00 24.44 H new ATOM 0 HB THR A 40 -0.621 -1.531 -22.712 1.00 24.31 H new ATOM 0 HG1 THR A 40 -0.882 -3.043 -20.802 1.00 72.01 H new ATOM 0 HG21 THR A 40 1.041 -2.965 -23.840 1.00 31.21 H new ATOM 0 HG22 THR A 40 1.697 -1.349 -23.489 1.00 31.21 H new ATOM 0 HG23 THR A 40 2.159 -2.736 -22.474 1.00 31.21 H new ATOM 631 N LEU A 41 1.594 -2.784 -19.656 1.00 31.30 N ATOM 632 CA LEU A 41 2.667 -3.443 -18.919 1.00 12.44 C ATOM 633 C LEU A 41 3.149 -4.689 -19.655 1.00 13.51 C ATOM 634 O LEU A 41 2.512 -5.147 -20.602 1.00 54.22 O ATOM 635 CB LEU A 41 2.191 -3.818 -17.514 1.00 62.21 C ATOM 636 CG LEU A 41 3.285 -4.193 -16.513 1.00 13.40 C ATOM 637 CD1 LEU A 41 4.366 -3.124 -16.480 1.00 24.23 C ATOM 638 CD2 LEU A 41 2.691 -4.397 -15.127 1.00 3.23 C ATOM 0 H LEU A 41 0.711 -3.294 -19.661 1.00 31.30 H new ATOM 0 HA LEU A 41 3.501 -2.746 -18.840 1.00 12.44 H new ATOM 0 HB2 LEU A 41 1.626 -2.979 -17.107 1.00 62.21 H new ATOM 0 HB3 LEU A 41 1.500 -4.657 -17.598 1.00 62.21 H new ATOM 0 HG LEU A 41 3.740 -5.130 -16.833 1.00 13.40 H new ATOM 0 HD11 LEU A 41 5.136 -3.407 -15.762 1.00 24.23 H new ATOM 0 HD12 LEU A 41 4.811 -3.026 -17.470 1.00 24.23 H new ATOM 0 HD13 LEU A 41 3.927 -2.171 -16.184 1.00 24.23 H new ATOM 0 HD21 LEU A 41 3.483 -4.663 -14.427 1.00 3.23 H new ATOM 0 HD22 LEU A 41 2.211 -3.476 -14.798 1.00 3.23 H new ATOM 0 HD23 LEU A 41 1.953 -5.198 -15.162 1.00 3.23 H new ATOM 650 N ASN A 42 4.277 -5.233 -19.211 1.00 10.23 N ATOM 651 CA ASN A 42 4.844 -6.427 -19.827 1.00 34.24 C ATOM 652 C ASN A 42 4.979 -7.553 -18.806 1.00 64.10 C ATOM 653 O ASN A 42 5.571 -7.371 -17.743 1.00 21.44 O ATOM 654 CB ASN A 42 6.210 -6.111 -20.439 1.00 74.41 C ATOM 655 CG ASN A 42 6.223 -4.781 -21.167 1.00 3.13 C ATOM 656 OD1 ASN A 42 7.004 -3.888 -20.836 1.00 14.11 O ATOM 657 ND2 ASN A 42 5.357 -4.643 -22.164 1.00 11.14 N ATOM 0 H ASN A 42 4.817 -4.866 -18.427 1.00 10.23 H new ATOM 0 HA ASN A 42 4.168 -6.755 -20.616 1.00 34.24 H new ATOM 0 HB2 ASN A 42 6.964 -6.099 -19.652 1.00 74.41 H new ATOM 0 HB3 ASN A 42 6.487 -6.905 -21.133 1.00 74.41 H new ATOM 0 HD21 ASN A 42 5.320 -3.770 -22.690 1.00 11.14 H new ATOM 0 HD22 ASN A 42 4.729 -5.410 -22.403 1.00 11.14 H new ATOM 664 N GLU A 43 4.428 -8.716 -19.139 1.00 13.02 N ATOM 665 CA GLU A 43 4.488 -9.871 -18.251 1.00 35.02 C ATOM 666 C GLU A 43 5.928 -10.177 -17.853 1.00 25.14 C ATOM 667 O GLU A 43 6.774 -10.450 -18.703 1.00 64.01 O ATOM 668 CB GLU A 43 3.863 -11.094 -18.926 1.00 14.15 C ATOM 669 CG GLU A 43 4.004 -12.373 -18.118 1.00 61.31 C ATOM 670 CD GLU A 43 3.524 -13.597 -18.875 1.00 4.32 C ATOM 671 OE1 GLU A 43 2.997 -13.433 -19.995 1.00 31.44 O ATOM 672 OE2 GLU A 43 3.677 -14.718 -18.346 1.00 42.13 O ATOM 0 H GLU A 43 3.935 -8.883 -20.016 1.00 13.02 H new ATOM 0 HA GLU A 43 3.923 -9.634 -17.350 1.00 35.02 H new ATOM 0 HB2 GLU A 43 2.805 -10.900 -19.102 1.00 14.15 H new ATOM 0 HB3 GLU A 43 4.328 -11.237 -19.902 1.00 14.15 H new ATOM 0 HG2 GLU A 43 5.049 -12.509 -17.840 1.00 61.31 H new ATOM 0 HG3 GLU A 43 3.437 -12.278 -17.192 1.00 61.31 H new ATOM 679 N GLY A 44 6.200 -10.129 -16.552 1.00 10.42 N ATOM 680 CA GLY A 44 7.539 -10.402 -16.063 1.00 13.12 C ATOM 681 C GLY A 44 8.213 -9.167 -15.499 1.00 44.03 C ATOM 682 O GLY A 44 9.221 -9.267 -14.800 1.00 32.51 O ATOM 0 H GLY A 44 5.517 -9.906 -15.828 1.00 10.42 H new ATOM 0 HA2 GLY A 44 7.491 -11.170 -15.291 1.00 13.12 H new ATOM 0 HA3 GLY A 44 8.144 -10.804 -16.876 1.00 13.12 H new ATOM 686 N GLU A 45 7.658 -7.999 -15.806 1.00 13.21 N ATOM 687 CA GLU A 45 8.215 -6.739 -15.327 1.00 31.44 C ATOM 688 C GLU A 45 7.756 -6.449 -13.900 1.00 62.44 C ATOM 689 O GLU A 45 6.737 -6.970 -13.446 1.00 72.01 O ATOM 690 CB GLU A 45 7.804 -5.590 -16.250 1.00 22.33 C ATOM 691 CG GLU A 45 8.473 -4.269 -15.911 1.00 15.44 C ATOM 692 CD GLU A 45 8.760 -3.428 -17.139 1.00 54.24 C ATOM 693 OE1 GLU A 45 7.969 -3.496 -18.104 1.00 1.25 O ATOM 694 OE2 GLU A 45 9.776 -2.701 -17.136 1.00 75.33 O ATOM 0 H GLU A 45 6.824 -7.899 -16.384 1.00 13.21 H new ATOM 0 HA GLU A 45 9.301 -6.827 -15.330 1.00 31.44 H new ATOM 0 HB2 GLU A 45 8.046 -5.857 -17.279 1.00 22.33 H new ATOM 0 HB3 GLU A 45 6.723 -5.464 -16.200 1.00 22.33 H new ATOM 0 HG2 GLU A 45 7.833 -3.706 -15.231 1.00 15.44 H new ATOM 0 HG3 GLU A 45 9.406 -4.464 -15.383 1.00 15.44 H new ATOM 701 N HIS A 46 8.517 -5.615 -13.198 1.00 72.25 N ATOM 702 CA HIS A 46 8.189 -5.255 -11.823 1.00 62.25 C ATOM 703 C HIS A 46 7.327 -3.997 -11.782 1.00 21.11 C ATOM 704 O HIS A 46 7.549 -3.055 -12.543 1.00 14.13 O ATOM 705 CB HIS A 46 9.467 -5.039 -11.012 1.00 41.24 C ATOM 706 CG HIS A 46 10.639 -5.819 -11.522 1.00 64.30 C ATOM 707 ND1 HIS A 46 10.902 -7.118 -11.141 1.00 32.32 N ATOM 708 CD2 HIS A 46 11.621 -5.478 -12.389 1.00 52.24 C ATOM 709 CE1 HIS A 46 11.995 -7.541 -11.750 1.00 71.32 C ATOM 710 NE2 HIS A 46 12.450 -6.565 -12.514 1.00 44.12 N ATOM 0 H HIS A 46 9.364 -5.176 -13.558 1.00 72.25 H new ATOM 0 HA HIS A 46 7.623 -6.076 -11.383 1.00 62.25 H new ATOM 0 HB2 HIS A 46 9.717 -3.978 -11.019 1.00 41.24 H new ATOM 0 HB3 HIS A 46 9.280 -5.316 -9.974 1.00 41.24 H new ATOM 0 HD2 HIS A 46 11.732 -4.527 -12.889 1.00 52.24 H new ATOM 0 HE1 HIS A 46 12.441 -8.519 -11.642 1.00 71.32 H new ATOM 0 HE2 HIS A 46 13.282 -6.611 -13.102 1.00 44.12 H new ATOM 718 N VAL A 47 6.343 -3.989 -10.889 1.00 34.43 N ATOM 719 CA VAL A 47 5.447 -2.847 -10.748 1.00 22.33 C ATOM 720 C VAL A 47 4.830 -2.801 -9.354 1.00 64.33 C ATOM 721 O VAL A 47 4.524 -3.838 -8.766 1.00 45.03 O ATOM 722 CB VAL A 47 4.319 -2.886 -11.796 1.00 0.14 C ATOM 723 CG1 VAL A 47 4.895 -2.831 -13.202 1.00 54.05 C ATOM 724 CG2 VAL A 47 3.462 -4.129 -11.610 1.00 10.25 C ATOM 0 H VAL A 47 6.146 -4.761 -10.252 1.00 34.43 H new ATOM 0 HA VAL A 47 6.048 -1.952 -10.906 1.00 22.33 H new ATOM 0 HB VAL A 47 3.685 -2.011 -11.655 1.00 0.14 H new ATOM 0 HG11 VAL A 47 4.083 -2.860 -13.929 1.00 54.05 H new ATOM 0 HG12 VAL A 47 5.462 -1.908 -13.327 1.00 54.05 H new ATOM 0 HG13 VAL A 47 5.553 -3.685 -13.359 1.00 54.05 H new ATOM 0 HG21 VAL A 47 2.670 -4.140 -12.359 1.00 10.25 H new ATOM 0 HG22 VAL A 47 4.082 -5.019 -11.724 1.00 10.25 H new ATOM 0 HG23 VAL A 47 3.019 -4.120 -10.614 1.00 10.25 H new ATOM 734 N GLU A 48 4.650 -1.592 -8.832 1.00 63.04 N ATOM 735 CA GLU A 48 4.070 -1.412 -7.507 1.00 12.50 C ATOM 736 C GLU A 48 2.547 -1.340 -7.585 1.00 5.50 C ATOM 737 O GLU A 48 1.980 -1.105 -8.652 1.00 52.00 O ATOM 738 CB GLU A 48 4.619 -0.141 -6.854 1.00 74.21 C ATOM 739 CG GLU A 48 4.239 0.003 -5.390 1.00 2.41 C ATOM 740 CD GLU A 48 4.994 1.123 -4.700 1.00 13.14 C ATOM 741 OE1 GLU A 48 6.242 1.102 -4.725 1.00 32.12 O ATOM 742 OE2 GLU A 48 4.335 2.021 -4.134 1.00 72.12 O ATOM 0 H GLU A 48 4.897 -0.723 -9.306 1.00 63.04 H new ATOM 0 HA GLU A 48 4.345 -2.273 -6.898 1.00 12.50 H new ATOM 0 HB2 GLU A 48 5.706 -0.138 -6.941 1.00 74.21 H new ATOM 0 HB3 GLU A 48 4.253 0.727 -7.403 1.00 74.21 H new ATOM 0 HG2 GLU A 48 3.168 0.190 -5.313 1.00 2.41 H new ATOM 0 HG3 GLU A 48 4.436 -0.936 -4.873 1.00 2.41 H new ATOM 749 N PHE A 49 1.892 -1.544 -6.447 1.00 3.40 N ATOM 750 CA PHE A 49 0.436 -1.504 -6.386 1.00 11.35 C ATOM 751 C PHE A 49 -0.044 -1.349 -4.945 1.00 44.33 C ATOM 752 O PHE A 49 0.417 -2.054 -4.048 1.00 40.41 O ATOM 753 CB PHE A 49 -0.157 -2.774 -6.998 1.00 64.33 C ATOM 754 CG PHE A 49 0.243 -4.030 -6.277 1.00 72.04 C ATOM 755 CD1 PHE A 49 1.464 -4.633 -6.533 1.00 10.44 C ATOM 756 CD2 PHE A 49 -0.603 -4.608 -5.345 1.00 35.12 C ATOM 757 CE1 PHE A 49 1.835 -5.788 -5.871 1.00 32.03 C ATOM 758 CE2 PHE A 49 -0.238 -5.763 -4.680 1.00 21.14 C ATOM 759 CZ PHE A 49 0.982 -6.354 -4.944 1.00 20.53 C ATOM 0 H PHE A 49 2.346 -1.739 -5.555 1.00 3.40 H new ATOM 0 HA PHE A 49 0.097 -0.641 -6.959 1.00 11.35 H new ATOM 0 HB2 PHE A 49 -1.244 -2.695 -6.997 1.00 64.33 H new ATOM 0 HB3 PHE A 49 0.157 -2.847 -8.039 1.00 64.33 H new ATOM 0 HD1 PHE A 49 2.134 -4.195 -7.258 1.00 10.44 H new ATOM 0 HD2 PHE A 49 -1.559 -4.151 -5.136 1.00 35.12 H new ATOM 0 HE1 PHE A 49 2.790 -6.247 -6.078 1.00 32.03 H new ATOM 0 HE2 PHE A 49 -0.906 -6.203 -3.955 1.00 21.14 H new ATOM 0 HZ PHE A 49 1.269 -7.257 -4.426 1.00 20.53 H new ATOM 769 N GLU A 50 -0.971 -0.420 -4.733 1.00 73.33 N ATOM 770 CA GLU A 50 -1.512 -0.172 -3.402 1.00 52.21 C ATOM 771 C GLU A 50 -2.827 -0.920 -3.201 1.00 0.33 C ATOM 772 O GLU A 50 -3.879 -0.487 -3.672 1.00 22.11 O ATOM 773 CB GLU A 50 -1.728 1.328 -3.187 1.00 25.33 C ATOM 774 CG GLU A 50 -0.598 2.002 -2.425 1.00 75.43 C ATOM 775 CD GLU A 50 -0.868 2.086 -0.936 1.00 15.14 C ATOM 776 OE1 GLU A 50 -1.709 1.308 -0.439 1.00 70.52 O ATOM 777 OE2 GLU A 50 -0.238 2.932 -0.266 1.00 73.51 O ATOM 0 H GLU A 50 -1.363 0.173 -5.465 1.00 73.33 H new ATOM 0 HA GLU A 50 -0.791 -0.537 -2.671 1.00 52.21 H new ATOM 0 HB2 GLU A 50 -1.841 1.813 -4.157 1.00 25.33 H new ATOM 0 HB3 GLU A 50 -2.661 1.478 -2.644 1.00 25.33 H new ATOM 0 HG2 GLU A 50 0.327 1.451 -2.592 1.00 75.43 H new ATOM 0 HG3 GLU A 50 -0.447 3.006 -2.820 1.00 75.43 H new ATOM 784 N VAL A 51 -2.759 -2.046 -2.497 1.00 42.34 N ATOM 785 CA VAL A 51 -3.943 -2.854 -2.232 1.00 64.45 C ATOM 786 C VAL A 51 -4.966 -2.078 -1.412 1.00 12.01 C ATOM 787 O VAL A 51 -4.666 -1.601 -0.318 1.00 42.32 O ATOM 788 CB VAL A 51 -3.580 -4.152 -1.486 1.00 73.10 C ATOM 789 CG1 VAL A 51 -2.655 -3.855 -0.316 1.00 41.30 C ATOM 790 CG2 VAL A 51 -4.839 -4.864 -1.013 1.00 50.44 C ATOM 0 H VAL A 51 -1.896 -2.419 -2.100 1.00 42.34 H new ATOM 0 HA VAL A 51 -4.376 -3.108 -3.199 1.00 64.45 H new ATOM 0 HB VAL A 51 -3.054 -4.812 -2.176 1.00 73.10 H new ATOM 0 HG11 VAL A 51 -2.410 -4.784 0.199 1.00 41.30 H new ATOM 0 HG12 VAL A 51 -1.740 -3.392 -0.684 1.00 41.30 H new ATOM 0 HG13 VAL A 51 -3.152 -3.176 0.377 1.00 41.30 H new ATOM 0 HG21 VAL A 51 -4.564 -5.779 -0.488 1.00 50.44 H new ATOM 0 HG22 VAL A 51 -5.394 -4.212 -0.339 1.00 50.44 H new ATOM 0 HG23 VAL A 51 -5.461 -5.112 -1.873 1.00 50.44 H new ATOM 800 N GLU A 52 -6.177 -1.956 -1.948 1.00 22.23 N ATOM 801 CA GLU A 52 -7.245 -1.237 -1.264 1.00 52.21 C ATOM 802 C GLU A 52 -8.402 -2.173 -0.926 1.00 61.02 C ATOM 803 O GLU A 52 -8.608 -3.203 -1.568 1.00 64.30 O ATOM 804 CB GLU A 52 -7.747 -0.080 -2.131 1.00 32.21 C ATOM 805 CG GLU A 52 -7.009 1.226 -1.890 1.00 32.01 C ATOM 806 CD GLU A 52 -6.989 1.623 -0.427 1.00 25.15 C ATOM 807 OE1 GLU A 52 -6.045 1.219 0.285 1.00 13.21 O ATOM 808 OE2 GLU A 52 -7.916 2.338 0.007 1.00 53.13 O ATOM 0 H GLU A 52 -6.442 -2.345 -2.853 1.00 22.23 H new ATOM 0 HA GLU A 52 -6.841 -0.837 -0.334 1.00 52.21 H new ATOM 0 HB2 GLU A 52 -7.648 -0.355 -3.181 1.00 32.21 H new ATOM 0 HB3 GLU A 52 -8.809 0.072 -1.940 1.00 32.21 H new ATOM 0 HG2 GLU A 52 -5.985 1.132 -2.251 1.00 32.01 H new ATOM 0 HG3 GLU A 52 -7.481 2.018 -2.471 1.00 32.01 H new ATOM 815 N PRO A 53 -9.176 -1.808 0.107 1.00 42.34 N ATOM 816 CA PRO A 53 -10.325 -2.600 0.554 1.00 61.40 C ATOM 817 C PRO A 53 -11.476 -2.569 -0.446 1.00 45.02 C ATOM 818 O PRO A 53 -11.556 -3.409 -1.341 1.00 33.51 O ATOM 819 CB PRO A 53 -10.736 -1.922 1.863 1.00 23.02 C ATOM 820 CG PRO A 53 -10.251 -0.520 1.731 1.00 1.55 C ATOM 821 CD PRO A 53 -8.989 -0.592 0.917 1.00 71.32 C ATOM 0 HA PRO A 53 -10.074 -3.655 0.665 1.00 61.40 H new ATOM 0 HB2 PRO A 53 -11.816 -1.956 2.004 1.00 23.02 H new ATOM 0 HB3 PRO A 53 -10.286 -2.417 2.724 1.00 23.02 H new ATOM 0 HG2 PRO A 53 -10.996 0.106 1.240 1.00 1.55 H new ATOM 0 HG3 PRO A 53 -10.059 -0.080 2.710 1.00 1.55 H new ATOM 0 HD2 PRO A 53 -8.863 0.292 0.292 1.00 71.32 H new ATOM 0 HD3 PRO A 53 -8.105 -0.663 1.551 1.00 71.32 H new ATOM 829 N GLY A 54 -12.365 -1.593 -0.288 1.00 44.23 N ATOM 830 CA GLY A 54 -13.499 -1.470 -1.185 1.00 62.33 C ATOM 831 C GLY A 54 -13.139 -0.777 -2.484 1.00 45.21 C ATOM 832 O GLY A 54 -13.665 0.293 -2.791 1.00 61.00 O ATOM 0 H GLY A 54 -12.320 -0.885 0.445 1.00 44.23 H new ATOM 0 HA2 GLY A 54 -13.894 -2.462 -1.404 1.00 62.33 H new ATOM 0 HA3 GLY A 54 -14.293 -0.913 -0.688 1.00 62.33 H new ATOM 836 N ARG A 55 -12.238 -1.386 -3.248 1.00 42.23 N ATOM 837 CA ARG A 55 -11.806 -0.818 -4.520 1.00 24.42 C ATOM 838 C ARG A 55 -11.837 -1.871 -5.624 1.00 34.22 C ATOM 839 O ARG A 55 -12.262 -1.597 -6.745 1.00 41.34 O ATOM 840 CB ARG A 55 -10.395 -0.241 -4.392 1.00 2.15 C ATOM 841 CG ARG A 55 -10.189 1.044 -5.177 1.00 0.23 C ATOM 842 CD ARG A 55 -11.038 2.178 -4.622 1.00 62.44 C ATOM 843 NE ARG A 55 -11.529 3.060 -5.677 1.00 41.14 N ATOM 844 CZ ARG A 55 -12.523 3.925 -5.509 1.00 32.43 C ATOM 845 NH1 ARG A 55 -13.129 4.023 -4.333 1.00 63.52 N ATOM 846 NH2 ARG A 55 -12.913 4.694 -6.517 1.00 34.20 N ATOM 0 H ARG A 55 -11.793 -2.272 -3.009 1.00 42.23 H new ATOM 0 HA ARG A 55 -12.497 -0.017 -4.785 1.00 24.42 H new ATOM 0 HB2 ARG A 55 -10.183 -0.052 -3.340 1.00 2.15 H new ATOM 0 HB3 ARG A 55 -9.675 -0.985 -4.733 1.00 2.15 H new ATOM 0 HG2 ARG A 55 -9.137 1.327 -5.145 1.00 0.23 H new ATOM 0 HG3 ARG A 55 -10.443 0.877 -6.224 1.00 0.23 H new ATOM 0 HD2 ARG A 55 -11.884 1.763 -4.074 1.00 62.44 H new ATOM 0 HD3 ARG A 55 -10.449 2.757 -3.910 1.00 62.44 H new ATOM 0 HE ARG A 55 -11.084 3.009 -6.593 1.00 41.14 H new ATOM 0 HH11 ARG A 55 -12.832 3.433 -3.555 1.00 63.52 H new ATOM 0 HH12 ARG A 55 -13.892 4.688 -4.206 1.00 63.52 H new ATOM 0 HH21 ARG A 55 -12.449 4.622 -7.423 1.00 34.20 H new ATOM 0 HH22 ARG A 55 -13.676 5.358 -6.386 1.00 34.20 H new ATOM 860 N GLY A 56 -11.384 -3.078 -5.297 1.00 54.13 N ATOM 861 CA GLY A 56 -11.369 -4.153 -6.272 1.00 30.23 C ATOM 862 C GLY A 56 -12.467 -5.170 -6.031 1.00 14.31 C ATOM 863 O GLY A 56 -12.886 -5.385 -4.894 1.00 44.40 O ATOM 0 H GLY A 56 -11.028 -3.330 -4.375 1.00 54.13 H new ATOM 0 HA2 GLY A 56 -11.480 -3.734 -7.272 1.00 30.23 H new ATOM 0 HA3 GLY A 56 -10.401 -4.654 -6.241 1.00 30.23 H new ATOM 867 N GLY A 57 -12.938 -5.796 -7.105 1.00 61.41 N ATOM 868 CA GLY A 57 -13.992 -6.787 -6.984 1.00 43.21 C ATOM 869 C GLY A 57 -13.708 -7.805 -5.897 1.00 54.14 C ATOM 870 O GLY A 57 -14.504 -7.975 -4.973 1.00 25.51 O ATOM 0 H GLY A 57 -12.609 -5.635 -8.057 1.00 61.41 H new ATOM 0 HA2 GLY A 57 -14.936 -6.285 -6.770 1.00 43.21 H new ATOM 0 HA3 GLY A 57 -14.114 -7.302 -7.937 1.00 43.21 H new ATOM 874 N LYS A 58 -12.573 -8.485 -6.008 1.00 64.50 N ATOM 875 CA LYS A 58 -12.185 -9.493 -5.028 1.00 33.11 C ATOM 876 C LYS A 58 -11.802 -8.844 -3.702 1.00 51.41 C ATOM 877 O LYS A 58 -11.637 -9.525 -2.691 1.00 0.40 O ATOM 878 CB LYS A 58 -11.015 -10.326 -5.557 1.00 54.31 C ATOM 879 CG LYS A 58 -11.261 -10.912 -6.937 1.00 3.42 C ATOM 880 CD LYS A 58 -12.361 -11.959 -6.910 1.00 61.32 C ATOM 881 CE LYS A 58 -13.473 -11.625 -7.893 1.00 23.12 C ATOM 882 NZ LYS A 58 -14.543 -12.660 -7.892 1.00 71.44 N ATOM 0 H LYS A 58 -11.904 -8.357 -6.768 1.00 64.50 H new ATOM 0 HA LYS A 58 -13.041 -10.147 -4.859 1.00 33.11 H new ATOM 0 HB2 LYS A 58 -10.122 -9.702 -5.590 1.00 54.31 H new ATOM 0 HB3 LYS A 58 -10.812 -11.137 -4.858 1.00 54.31 H new ATOM 0 HG2 LYS A 58 -11.533 -10.115 -7.629 1.00 3.42 H new ATOM 0 HG3 LYS A 58 -10.341 -11.359 -7.313 1.00 3.42 H new ATOM 0 HD2 LYS A 58 -11.941 -12.935 -7.152 1.00 61.32 H new ATOM 0 HD3 LYS A 58 -12.773 -12.030 -5.903 1.00 61.32 H new ATOM 0 HE2 LYS A 58 -13.904 -10.657 -7.638 1.00 23.12 H new ATOM 0 HE3 LYS A 58 -13.056 -11.535 -8.896 1.00 23.12 H new ATOM 0 HZ1 LYS A 58 -15.282 -12.396 -8.575 1.00 71.44 H new ATOM 0 HZ2 LYS A 58 -14.137 -13.579 -8.160 1.00 71.44 H new ATOM 0 HZ3 LYS A 58 -14.959 -12.729 -6.941 1.00 71.44 H new ATOM 896 N GLY A 59 -11.663 -7.521 -3.714 1.00 75.21 N ATOM 897 CA GLY A 59 -11.302 -6.802 -2.506 1.00 72.14 C ATOM 898 C GLY A 59 -10.039 -5.982 -2.676 1.00 25.32 C ATOM 899 O GLY A 59 -10.083 -4.767 -2.869 1.00 25.15 O ATOM 0 H GLY A 59 -11.794 -6.935 -4.539 1.00 75.21 H new ATOM 0 HA2 GLY A 59 -12.123 -6.145 -2.219 1.00 72.14 H new ATOM 0 HA3 GLY A 59 -11.163 -7.513 -1.691 1.00 72.14 H new ATOM 903 N PRO A 60 -8.879 -6.653 -2.602 1.00 52.13 N ATOM 904 CA PRO A 60 -7.576 -5.998 -2.745 1.00 45.02 C ATOM 905 C PRO A 60 -7.321 -5.518 -4.170 1.00 63.41 C ATOM 906 O PRO A 60 -7.196 -6.324 -5.092 1.00 50.11 O ATOM 907 CB PRO A 60 -6.582 -7.099 -2.366 1.00 10.01 C ATOM 908 CG PRO A 60 -7.299 -8.372 -2.655 1.00 33.43 C ATOM 909 CD PRO A 60 -8.752 -8.102 -2.375 1.00 22.13 C ATOM 0 HA PRO A 60 -7.500 -5.104 -2.126 1.00 45.02 H new ATOM 0 HB2 PRO A 60 -5.664 -7.021 -2.948 1.00 10.01 H new ATOM 0 HB3 PRO A 60 -6.300 -7.033 -1.315 1.00 10.01 H new ATOM 0 HG2 PRO A 60 -7.151 -8.676 -3.691 1.00 33.43 H new ATOM 0 HG3 PRO A 60 -6.925 -9.182 -2.028 1.00 33.43 H new ATOM 0 HD2 PRO A 60 -9.402 -8.671 -3.039 1.00 22.13 H new ATOM 0 HD3 PRO A 60 -9.022 -8.374 -1.355 1.00 22.13 H new ATOM 917 N GLN A 61 -7.244 -4.203 -4.342 1.00 13.31 N ATOM 918 CA GLN A 61 -7.004 -3.617 -5.656 1.00 34.05 C ATOM 919 C GLN A 61 -5.717 -2.800 -5.660 1.00 43.13 C ATOM 920 O GLN A 61 -5.131 -2.540 -4.610 1.00 14.34 O ATOM 921 CB GLN A 61 -8.184 -2.734 -6.067 1.00 31.41 C ATOM 922 CG GLN A 61 -8.561 -2.867 -7.534 1.00 31.35 C ATOM 923 CD GLN A 61 -9.493 -1.766 -7.999 1.00 12.03 C ATOM 924 OE1 GLN A 61 -10.533 -2.031 -8.604 1.00 5.24 O ATOM 925 NE2 GLN A 61 -9.126 -0.521 -7.718 1.00 63.21 N ATOM 0 H GLN A 61 -7.344 -3.523 -3.589 1.00 13.31 H new ATOM 0 HA GLN A 61 -6.899 -4.429 -6.375 1.00 34.05 H new ATOM 0 HB2 GLN A 61 -9.048 -2.988 -5.454 1.00 31.41 H new ATOM 0 HB3 GLN A 61 -7.939 -1.693 -5.856 1.00 31.41 H new ATOM 0 HG2 GLN A 61 -7.656 -2.852 -8.141 1.00 31.35 H new ATOM 0 HG3 GLN A 61 -9.037 -3.834 -7.697 1.00 31.35 H new ATOM 0 HE21 GLN A 61 -8.256 -0.347 -7.215 1.00 63.21 H new ATOM 0 HE22 GLN A 61 -9.714 0.261 -8.005 1.00 63.21 H new ATOM 934 N ALA A 62 -5.281 -2.398 -6.850 1.00 20.41 N ATOM 935 CA ALA A 62 -4.063 -1.609 -6.991 1.00 75.41 C ATOM 936 C ALA A 62 -4.382 -0.122 -7.091 1.00 50.54 C ATOM 937 O ALA A 62 -4.092 0.520 -8.102 1.00 22.34 O ATOM 938 CB ALA A 62 -3.277 -2.066 -8.211 1.00 31.20 C ATOM 0 H ALA A 62 -5.753 -2.606 -7.730 1.00 20.41 H new ATOM 0 HA ALA A 62 -3.453 -1.764 -6.101 1.00 75.41 H new ATOM 0 HB1 ALA A 62 -2.370 -1.469 -8.304 1.00 31.20 H new ATOM 0 HB2 ALA A 62 -3.009 -3.117 -8.099 1.00 31.20 H new ATOM 0 HB3 ALA A 62 -3.888 -1.941 -9.105 1.00 31.20 H new ATOM 944 N LYS A 63 -4.981 0.423 -6.038 1.00 33.32 N ATOM 945 CA LYS A 63 -5.339 1.836 -6.006 1.00 35.21 C ATOM 946 C LYS A 63 -4.185 2.701 -6.502 1.00 32.12 C ATOM 947 O LYS A 63 -4.395 3.699 -7.192 1.00 33.14 O ATOM 948 CB LYS A 63 -5.730 2.252 -4.586 1.00 5.31 C ATOM 949 CG LYS A 63 -5.933 3.749 -4.425 1.00 74.14 C ATOM 950 CD LYS A 63 -6.940 4.285 -5.429 1.00 14.30 C ATOM 951 CE LYS A 63 -8.340 3.759 -5.150 1.00 1.12 C ATOM 952 NZ LYS A 63 -9.245 4.829 -4.646 1.00 44.32 N ATOM 0 H LYS A 63 -5.229 -0.093 -5.194 1.00 33.32 H new ATOM 0 HA LYS A 63 -6.191 1.985 -6.669 1.00 35.21 H new ATOM 0 HB2 LYS A 63 -6.649 1.737 -4.305 1.00 5.31 H new ATOM 0 HB3 LYS A 63 -4.956 1.922 -3.893 1.00 5.31 H new ATOM 0 HG2 LYS A 63 -6.277 3.964 -3.413 1.00 74.14 H new ATOM 0 HG3 LYS A 63 -4.980 4.263 -4.554 1.00 74.14 H new ATOM 0 HD2 LYS A 63 -6.946 5.374 -5.394 1.00 14.30 H new ATOM 0 HD3 LYS A 63 -6.637 4.000 -6.437 1.00 14.30 H new ATOM 0 HE2 LYS A 63 -8.756 3.332 -6.063 1.00 1.12 H new ATOM 0 HE3 LYS A 63 -8.286 2.954 -4.417 1.00 1.12 H new ATOM 0 HZ1 LYS A 63 -9.608 4.563 -3.708 1.00 44.32 H new ATOM 0 HZ2 LYS A 63 -8.719 5.723 -4.573 1.00 44.32 H new ATOM 0 HZ3 LYS A 63 -10.041 4.949 -5.304 1.00 44.32 H new ATOM 966 N LYS A 64 -2.965 2.312 -6.148 1.00 33.55 N ATOM 967 CA LYS A 64 -1.777 3.049 -6.558 1.00 44.24 C ATOM 968 C LYS A 64 -0.738 2.112 -7.167 1.00 52.43 C ATOM 969 O LYS A 64 0.007 1.445 -6.450 1.00 2.23 O ATOM 970 CB LYS A 64 -1.172 3.790 -5.363 1.00 74.13 C ATOM 971 CG LYS A 64 -2.211 4.393 -4.433 1.00 43.13 C ATOM 972 CD LYS A 64 -2.440 5.865 -4.733 1.00 72.14 C ATOM 973 CE LYS A 64 -3.254 6.054 -6.004 1.00 41.34 C ATOM 974 NZ LYS A 64 -3.476 7.494 -6.312 1.00 2.55 N ATOM 0 H LYS A 64 -2.773 1.489 -5.577 1.00 33.55 H new ATOM 0 HA LYS A 64 -2.075 3.775 -7.315 1.00 44.24 H new ATOM 0 HB2 LYS A 64 -0.546 3.100 -4.797 1.00 74.13 H new ATOM 0 HB3 LYS A 64 -0.521 4.583 -5.730 1.00 74.13 H new ATOM 0 HG2 LYS A 64 -3.150 3.850 -4.534 1.00 43.13 H new ATOM 0 HG3 LYS A 64 -1.886 4.278 -3.399 1.00 43.13 H new ATOM 0 HD2 LYS A 64 -2.958 6.332 -3.895 1.00 72.14 H new ATOM 0 HD3 LYS A 64 -1.480 6.370 -4.836 1.00 72.14 H new ATOM 0 HE2 LYS A 64 -2.739 5.579 -6.839 1.00 41.34 H new ATOM 0 HE3 LYS A 64 -4.216 5.553 -5.897 1.00 41.34 H new ATOM 0 HZ1 LYS A 64 -4.195 7.583 -7.058 1.00 2.55 H new ATOM 0 HZ2 LYS A 64 -3.803 7.986 -5.456 1.00 2.55 H new ATOM 0 HZ3 LYS A 64 -2.585 7.921 -6.638 1.00 2.55 H new ATOM 988 N VAL A 65 -0.694 2.068 -8.495 1.00 41.11 N ATOM 989 CA VAL A 65 0.255 1.215 -9.200 1.00 61.03 C ATOM 990 C VAL A 65 1.399 2.034 -9.788 1.00 31.10 C ATOM 991 O VAL A 65 1.199 3.158 -10.248 1.00 15.21 O ATOM 992 CB VAL A 65 -0.432 0.427 -10.332 1.00 3.04 C ATOM 993 CG1 VAL A 65 0.290 0.650 -11.652 1.00 71.20 C ATOM 994 CG2 VAL A 65 -0.490 -1.054 -9.990 1.00 23.14 C ATOM 0 H VAL A 65 -1.304 2.613 -9.104 1.00 41.11 H new ATOM 0 HA VAL A 65 0.654 0.513 -8.468 1.00 61.03 H new ATOM 0 HB VAL A 65 -1.453 0.792 -10.438 1.00 3.04 H new ATOM 0 HG11 VAL A 65 -0.209 0.086 -12.440 1.00 71.20 H new ATOM 0 HG12 VAL A 65 0.275 1.711 -11.900 1.00 71.20 H new ATOM 0 HG13 VAL A 65 1.323 0.313 -11.563 1.00 71.20 H new ATOM 0 HG21 VAL A 65 -0.978 -1.596 -10.800 1.00 23.14 H new ATOM 0 HG22 VAL A 65 0.522 -1.436 -9.856 1.00 23.14 H new ATOM 0 HG23 VAL A 65 -1.055 -1.193 -9.068 1.00 23.14 H new ATOM 1004 N ARG A 66 2.599 1.463 -9.770 1.00 33.52 N ATOM 1005 CA ARG A 66 3.776 2.140 -10.300 1.00 74.14 C ATOM 1006 C ARG A 66 4.563 1.217 -11.226 1.00 52.12 C ATOM 1007 O ARG A 66 4.529 -0.004 -11.077 1.00 34.40 O ATOM 1008 CB ARG A 66 4.672 2.620 -9.158 1.00 25.21 C ATOM 1009 CG ARG A 66 3.910 3.281 -8.022 1.00 11.44 C ATOM 1010 CD ARG A 66 4.853 3.813 -6.953 1.00 55.14 C ATOM 1011 NE ARG A 66 4.176 4.716 -6.027 1.00 13.35 N ATOM 1012 CZ ARG A 66 4.816 5.534 -5.198 1.00 74.00 C ATOM 1013 NH1 ARG A 66 6.141 5.562 -5.181 1.00 41.03 N ATOM 1014 NH2 ARG A 66 4.129 6.326 -4.384 1.00 45.33 N ATOM 0 H ARG A 66 2.782 0.533 -9.394 1.00 33.52 H new ATOM 0 HA ARG A 66 3.440 3.003 -10.875 1.00 74.14 H new ATOM 0 HB2 ARG A 66 5.230 1.771 -8.764 1.00 25.21 H new ATOM 0 HB3 ARG A 66 5.403 3.326 -9.553 1.00 25.21 H new ATOM 0 HG2 ARG A 66 3.306 4.099 -8.415 1.00 11.44 H new ATOM 0 HG3 ARG A 66 3.222 2.562 -7.577 1.00 11.44 H new ATOM 0 HD2 ARG A 66 5.280 2.978 -6.398 1.00 55.14 H new ATOM 0 HD3 ARG A 66 5.682 4.337 -7.429 1.00 55.14 H new ATOM 0 HE ARG A 66 3.156 4.719 -6.016 1.00 13.35 H new ATOM 0 HH11 ARG A 66 6.672 4.955 -5.805 1.00 41.03 H new ATOM 0 HH12 ARG A 66 6.630 6.191 -4.544 1.00 41.03 H new ATOM 0 HH21 ARG A 66 3.109 6.307 -4.395 1.00 45.33 H new ATOM 0 HH22 ARG A 66 4.621 6.954 -3.748 1.00 45.33 H new ATOM 1028 N ARG A 67 5.271 1.810 -12.182 1.00 54.01 N ATOM 1029 CA ARG A 67 6.065 1.041 -13.133 1.00 12.41 C ATOM 1030 C ARG A 67 7.489 0.848 -12.621 1.00 30.25 C ATOM 1031 O ARG A 67 8.142 1.802 -12.198 1.00 1.40 O ATOM 1032 CB ARG A 67 6.091 1.743 -14.492 1.00 63.22 C ATOM 1033 CG ARG A 67 4.850 1.490 -15.332 1.00 41.13 C ATOM 1034 CD ARG A 67 4.910 2.240 -16.654 1.00 13.12 C ATOM 1035 NE ARG A 67 5.065 3.679 -16.460 1.00 11.32 N ATOM 1036 CZ ARG A 67 5.353 4.526 -17.442 1.00 14.42 C ATOM 1037 NH1 ARG A 67 5.515 4.081 -18.680 1.00 30.31 N ATOM 1038 NH2 ARG A 67 5.478 5.822 -17.186 1.00 51.43 N ATOM 0 H ARG A 67 5.311 2.820 -12.318 1.00 54.01 H new ATOM 0 HA ARG A 67 5.602 0.061 -13.246 1.00 12.41 H new ATOM 0 HB2 ARG A 67 6.201 2.816 -14.335 1.00 63.22 H new ATOM 0 HB3 ARG A 67 6.969 1.411 -15.046 1.00 63.22 H new ATOM 0 HG2 ARG A 67 4.750 0.421 -15.523 1.00 41.13 H new ATOM 0 HG3 ARG A 67 3.964 1.799 -14.777 1.00 41.13 H new ATOM 0 HD2 ARG A 67 5.743 1.862 -17.248 1.00 13.12 H new ATOM 0 HD3 ARG A 67 4.000 2.047 -17.222 1.00 13.12 H new ATOM 0 HE ARG A 67 4.946 4.054 -15.519 1.00 11.32 H new ATOM 0 HH11 ARG A 67 5.419 3.086 -18.881 1.00 30.31 H new ATOM 0 HH12 ARG A 67 5.736 4.734 -19.432 1.00 30.31 H new ATOM 0 HH21 ARG A 67 5.353 6.168 -16.235 1.00 51.43 H new ATOM 0 HH22 ARG A 67 5.699 6.472 -17.940 1.00 51.43 H new ATOM 1052 N ILE A 68 7.963 -0.393 -12.661 1.00 1.32 N ATOM 1053 CA ILE A 68 9.309 -0.711 -12.201 1.00 44.33 C ATOM 1054 C ILE A 68 10.001 -1.680 -13.154 1.00 51.22 C ATOM 1055 O ILE A 68 9.920 -2.897 -12.986 1.00 51.30 O ATOM 1056 CB ILE A 68 9.292 -1.323 -10.788 1.00 40.40 C ATOM 1057 CG1 ILE A 68 8.655 -0.348 -9.795 1.00 23.43 C ATOM 1058 CG2 ILE A 68 10.703 -1.686 -10.351 1.00 61.40 C ATOM 1059 CD1 ILE A 68 9.665 0.423 -8.974 1.00 13.32 C ATOM 0 H ILE A 68 7.435 -1.194 -13.007 1.00 1.32 H new ATOM 0 HA ILE A 68 9.863 0.227 -12.175 1.00 44.33 H new ATOM 0 HB ILE A 68 8.694 -2.234 -10.809 1.00 40.40 H new ATOM 0 HG12 ILE A 68 8.029 0.357 -10.341 1.00 23.43 H new ATOM 0 HG13 ILE A 68 8.000 -0.902 -9.123 1.00 23.43 H new ATOM 0 HG21 ILE A 68 10.674 -2.117 -9.350 1.00 61.40 H new ATOM 0 HG22 ILE A 68 11.124 -2.412 -11.047 1.00 61.40 H new ATOM 0 HG23 ILE A 68 11.323 -0.790 -10.342 1.00 61.40 H new ATOM 0 HD11 ILE A 68 9.143 1.094 -8.292 1.00 13.32 H new ATOM 0 HD12 ILE A 68 10.276 -0.274 -8.400 1.00 13.32 H new ATOM 0 HD13 ILE A 68 10.305 1.005 -9.637 1.00 13.32 H new TER 1071 ILE A 68