USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 451 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 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= 0.028 USER MOD Single : A 7 LYS NZ :NH3+ -112:sc= 0.913 (180deg=-0.901) USER MOD Single : A 10 ASN : amide:sc= -0.0952 X(o=-0.095,f=-0.55) 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 :FLIP amide:sc= -2.88 F(o=-4.7,f=-2.9) USER MOD Single : A 20 GLN : amide:sc= 0.104 K(o=0.1,f=-6.2!) USER MOD Single : A 29 HIS : no HD1:sc= -1.54 X(o=-1.5,f=-1.4) USER MOD Single : A 31 THR OG1 : rot -21:sc= 1.1 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 46 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.047) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -2.33 K(o=-2.3,f=-4.6!) USER MOD Single : A 63 LYS NZ :NH3+ -119:sc= -0.554 (180deg=-5.07!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 2.300 -2.311 -2.109 1.00 24.05 N ATOM 19 CA LYS A 2 3.119 -3.496 -2.334 1.00 22.20 C ATOM 20 C LYS A 2 3.756 -3.462 -3.720 1.00 3.15 C ATOM 21 O LYS A 2 3.194 -2.899 -4.659 1.00 42.20 O ATOM 22 CB LYS A 2 2.273 -4.762 -2.181 1.00 63.42 C ATOM 23 CG LYS A 2 1.580 -4.872 -0.834 1.00 50.22 C ATOM 24 CD LYS A 2 2.580 -5.060 0.294 1.00 2.31 C ATOM 25 CE LYS A 2 1.882 -5.245 1.633 1.00 61.13 C ATOM 26 NZ LYS A 2 1.513 -6.668 1.874 1.00 43.44 N ATOM 0 HA LYS A 2 3.914 -3.505 -1.588 1.00 22.20 H new ATOM 0 HB2 LYS A 2 1.521 -4.784 -2.970 1.00 63.42 H new ATOM 0 HB3 LYS A 2 2.911 -5.634 -2.324 1.00 63.42 H new ATOM 0 HG2 LYS A 2 0.990 -3.973 -0.653 1.00 50.22 H new ATOM 0 HG3 LYS A 2 0.885 -5.712 -0.849 1.00 50.22 H new ATOM 0 HD2 LYS A 2 3.206 -5.928 0.086 1.00 2.31 H new ATOM 0 HD3 LYS A 2 3.241 -4.195 0.344 1.00 2.31 H new ATOM 0 HE2 LYS A 2 2.535 -4.898 2.434 1.00 61.13 H new ATOM 0 HE3 LYS A 2 0.985 -4.627 1.663 1.00 61.13 H new ATOM 0 HZ1 LYS A 2 1.040 -6.753 2.796 1.00 43.44 H new ATOM 0 HZ2 LYS A 2 0.870 -6.992 1.124 1.00 43.44 H new ATOM 0 HZ3 LYS A 2 2.372 -7.255 1.871 1.00 43.44 H new ATOM 40 N LYS A 3 4.932 -4.069 -3.840 1.00 50.03 N ATOM 41 CA LYS A 3 5.645 -4.111 -5.111 1.00 40.14 C ATOM 42 C LYS A 3 5.939 -5.550 -5.523 1.00 55.15 C ATOM 43 O LYS A 3 6.367 -6.364 -4.707 1.00 71.52 O ATOM 44 CB LYS A 3 6.952 -3.321 -5.013 1.00 11.31 C ATOM 45 CG LYS A 3 6.764 -1.891 -4.535 1.00 71.31 C ATOM 46 CD LYS A 3 8.068 -1.295 -4.034 1.00 3.25 C ATOM 47 CE LYS A 3 8.423 -1.815 -2.649 1.00 12.32 C ATOM 48 NZ LYS A 3 7.826 -0.977 -1.572 1.00 53.12 N ATOM 0 H LYS A 3 5.411 -4.539 -3.072 1.00 50.03 H new ATOM 0 HA LYS A 3 5.009 -3.657 -5.870 1.00 40.14 H new ATOM 0 HB2 LYS A 3 7.628 -3.837 -4.332 1.00 11.31 H new ATOM 0 HB3 LYS A 3 7.433 -3.308 -5.991 1.00 11.31 H new ATOM 0 HG2 LYS A 3 6.374 -1.282 -5.351 1.00 71.31 H new ATOM 0 HG3 LYS A 3 6.022 -1.868 -3.737 1.00 71.31 H new ATOM 0 HD2 LYS A 3 8.871 -1.536 -4.731 1.00 3.25 H new ATOM 0 HD3 LYS A 3 7.986 -0.208 -4.006 1.00 3.25 H new ATOM 0 HE2 LYS A 3 8.073 -2.842 -2.546 1.00 12.32 H new ATOM 0 HE3 LYS A 3 9.507 -1.835 -2.535 1.00 12.32 H new ATOM 0 HZ1 LYS A 3 8.091 -1.364 -0.644 1.00 53.12 H new ATOM 0 HZ2 LYS A 3 8.179 -0.002 -1.654 1.00 53.12 H new ATOM 0 HZ3 LYS A 3 6.790 -0.979 -1.665 1.00 53.12 H new ATOM 62 N GLY A 4 5.706 -5.855 -6.797 1.00 21.54 N ATOM 63 CA GLY A 4 5.953 -7.196 -7.295 1.00 33.15 C ATOM 64 C GLY A 4 5.837 -7.285 -8.803 1.00 51.43 C ATOM 65 O GLY A 4 5.423 -6.328 -9.460 1.00 35.44 O ATOM 0 H GLY A 4 5.351 -5.198 -7.492 1.00 21.54 H new ATOM 0 HA2 GLY A 4 6.950 -7.515 -6.991 1.00 33.15 H new ATOM 0 HA3 GLY A 4 5.244 -7.886 -6.838 1.00 33.15 H new ATOM 69 N THR A 5 6.206 -8.436 -9.357 1.00 53.53 N ATOM 70 CA THR A 5 6.144 -8.645 -10.798 1.00 41.43 C ATOM 71 C THR A 5 4.705 -8.824 -11.267 1.00 34.02 C ATOM 72 O THR A 5 3.825 -9.179 -10.482 1.00 2.13 O ATOM 73 CB THR A 5 6.967 -9.875 -11.223 1.00 64.21 C ATOM 74 OG1 THR A 5 6.792 -10.933 -10.275 1.00 34.54 O ATOM 75 CG2 THR A 5 8.444 -9.526 -11.334 1.00 30.54 C ATOM 0 H THR A 5 6.551 -9.238 -8.829 1.00 53.53 H new ATOM 0 HA THR A 5 6.567 -7.755 -11.264 1.00 41.43 H new ATOM 0 HB THR A 5 6.612 -10.201 -12.201 1.00 64.21 H new ATOM 0 HG1 THR A 5 7.317 -11.712 -10.554 1.00 34.54 H new ATOM 0 HG21 THR A 5 9.005 -10.410 -11.635 1.00 30.54 H new ATOM 0 HG22 THR A 5 8.577 -8.741 -12.078 1.00 30.54 H new ATOM 0 HG23 THR A 5 8.809 -9.177 -10.368 1.00 30.54 H new ATOM 83 N VAL A 6 4.470 -8.577 -12.552 1.00 22.22 N ATOM 84 CA VAL A 6 3.137 -8.713 -13.126 1.00 32.55 C ATOM 85 C VAL A 6 2.972 -10.061 -13.818 1.00 73.52 C ATOM 86 O VAL A 6 3.794 -10.451 -14.648 1.00 1.13 O ATOM 87 CB VAL A 6 2.844 -7.590 -14.137 1.00 55.51 C ATOM 88 CG1 VAL A 6 3.738 -7.725 -15.360 1.00 0.42 C ATOM 89 CG2 VAL A 6 1.376 -7.602 -14.536 1.00 74.21 C ATOM 0 H VAL A 6 5.186 -8.281 -13.215 1.00 22.22 H new ATOM 0 HA VAL A 6 2.428 -8.642 -12.301 1.00 32.55 H new ATOM 0 HB VAL A 6 3.060 -6.633 -13.663 1.00 55.51 H new ATOM 0 HG11 VAL A 6 3.516 -6.922 -16.063 1.00 0.42 H new ATOM 0 HG12 VAL A 6 4.783 -7.662 -15.056 1.00 0.42 H new ATOM 0 HG13 VAL A 6 3.557 -8.687 -15.839 1.00 0.42 H new ATOM 0 HG21 VAL A 6 1.187 -6.801 -15.251 1.00 74.21 H new ATOM 0 HG22 VAL A 6 1.131 -8.561 -14.992 1.00 74.21 H new ATOM 0 HG23 VAL A 6 0.757 -7.452 -13.651 1.00 74.21 H new ATOM 99 N LYS A 7 1.903 -10.771 -13.473 1.00 14.20 N ATOM 100 CA LYS A 7 1.627 -12.076 -14.062 1.00 54.31 C ATOM 101 C LYS A 7 1.098 -11.929 -15.486 1.00 24.34 C ATOM 102 O LYS A 7 1.409 -12.739 -16.359 1.00 33.51 O ATOM 103 CB LYS A 7 0.614 -12.840 -13.207 1.00 75.31 C ATOM 104 CG LYS A 7 0.810 -14.346 -13.232 1.00 23.21 C ATOM 105 CD LYS A 7 0.480 -14.974 -11.888 1.00 41.11 C ATOM 106 CE LYS A 7 -0.968 -14.723 -11.497 1.00 31.14 C ATOM 107 NZ LYS A 7 -1.769 -15.979 -11.500 1.00 0.43 N ATOM 0 H LYS A 7 1.213 -10.464 -12.788 1.00 14.20 H new ATOM 0 HA LYS A 7 2.561 -12.637 -14.096 1.00 54.31 H new ATOM 0 HB2 LYS A 7 0.683 -12.490 -12.177 1.00 75.31 H new ATOM 0 HB3 LYS A 7 -0.392 -12.607 -13.556 1.00 75.31 H new ATOM 0 HG2 LYS A 7 0.177 -14.783 -14.004 1.00 23.21 H new ATOM 0 HG3 LYS A 7 1.842 -14.575 -13.498 1.00 23.21 H new ATOM 0 HD2 LYS A 7 0.666 -16.047 -11.931 1.00 41.11 H new ATOM 0 HD3 LYS A 7 1.141 -14.567 -11.123 1.00 41.11 H new ATOM 0 HE2 LYS A 7 -1.003 -14.272 -10.505 1.00 31.14 H new ATOM 0 HE3 LYS A 7 -1.412 -14.007 -12.189 1.00 31.14 H new ATOM 0 HZ1 LYS A 7 -2.465 -15.945 -12.272 1.00 0.43 H new ATOM 0 HZ2 LYS A 7 -1.137 -16.793 -11.639 1.00 0.43 H new ATOM 0 HZ3 LYS A 7 -2.265 -16.077 -10.591 1.00 0.43 H new ATOM 121 N TRP A 8 0.301 -10.891 -15.712 1.00 24.52 N ATOM 122 CA TRP A 8 -0.268 -10.639 -17.031 1.00 13.34 C ATOM 123 C TRP A 8 -1.049 -9.329 -17.045 1.00 23.05 C ATOM 124 O TRP A 8 -1.670 -8.954 -16.049 1.00 64.55 O ATOM 125 CB TRP A 8 -1.180 -11.795 -17.445 1.00 14.32 C ATOM 126 CG TRP A 8 -2.396 -11.932 -16.578 1.00 63.25 C ATOM 127 CD1 TRP A 8 -3.460 -11.078 -16.518 1.00 22.33 C ATOM 128 CD2 TRP A 8 -2.670 -12.985 -15.648 1.00 71.31 C ATOM 129 NE1 TRP A 8 -4.379 -11.537 -15.606 1.00 32.25 N ATOM 130 CE2 TRP A 8 -3.919 -12.706 -15.059 1.00 42.20 C ATOM 131 CE3 TRP A 8 -1.984 -14.138 -15.257 1.00 2.01 C ATOM 132 CZ2 TRP A 8 -4.492 -13.537 -14.100 1.00 42.02 C ATOM 133 CZ3 TRP A 8 -2.554 -14.962 -14.305 1.00 2.31 C ATOM 134 CH2 TRP A 8 -3.798 -14.659 -13.736 1.00 1.32 C ATOM 0 H TRP A 8 0.034 -10.211 -15.000 1.00 24.52 H new ATOM 0 HA TRP A 8 0.552 -10.559 -17.744 1.00 13.34 H new ATOM 0 HB2 TRP A 8 -1.494 -11.649 -18.478 1.00 14.32 H new ATOM 0 HB3 TRP A 8 -0.613 -12.725 -17.413 1.00 14.32 H new ATOM 0 HD1 TRP A 8 -3.564 -10.175 -17.101 1.00 22.33 H new ATOM 0 HE1 TRP A 8 -5.261 -11.081 -15.374 1.00 32.25 H new ATOM 0 HE3 TRP A 8 -1.025 -14.381 -15.691 1.00 2.01 H new ATOM 0 HZ2 TRP A 8 -5.450 -13.304 -13.659 1.00 42.02 H new ATOM 0 HZ3 TRP A 8 -2.032 -15.855 -13.994 1.00 2.31 H new ATOM 0 HH2 TRP A 8 -4.218 -15.324 -12.996 1.00 1.32 H new ATOM 145 N PHE A 9 -1.014 -8.636 -18.178 1.00 25.20 N ATOM 146 CA PHE A 9 -1.717 -7.367 -18.320 1.00 75.15 C ATOM 147 C PHE A 9 -2.404 -7.276 -19.680 1.00 53.20 C ATOM 148 O PHE A 9 -1.752 -7.086 -20.705 1.00 44.33 O ATOM 149 CB PHE A 9 -0.745 -6.198 -18.148 1.00 73.21 C ATOM 150 CG PHE A 9 -1.424 -4.861 -18.070 1.00 51.43 C ATOM 151 CD1 PHE A 9 -1.828 -4.344 -16.850 1.00 13.11 C ATOM 152 CD2 PHE A 9 -1.658 -4.120 -19.218 1.00 33.12 C ATOM 153 CE1 PHE A 9 -2.453 -3.113 -16.775 1.00 22.13 C ATOM 154 CE2 PHE A 9 -2.282 -2.889 -19.149 1.00 1.43 C ATOM 155 CZ PHE A 9 -2.681 -2.385 -17.926 1.00 23.00 C ATOM 0 H PHE A 9 -0.506 -8.932 -19.011 1.00 25.20 H new ATOM 0 HA PHE A 9 -2.479 -7.313 -17.542 1.00 75.15 H new ATOM 0 HB2 PHE A 9 -0.160 -6.353 -17.242 1.00 73.21 H new ATOM 0 HB3 PHE A 9 -0.044 -6.193 -18.983 1.00 73.21 H new ATOM 0 HD1 PHE A 9 -1.653 -4.909 -15.947 1.00 13.11 H new ATOM 0 HD2 PHE A 9 -1.349 -4.509 -20.177 1.00 33.12 H new ATOM 0 HE1 PHE A 9 -2.763 -2.721 -15.817 1.00 22.13 H new ATOM 0 HE2 PHE A 9 -2.458 -2.321 -20.051 1.00 1.43 H new ATOM 0 HZ PHE A 9 -3.170 -1.424 -17.870 1.00 23.00 H new ATOM 165 N ASN A 10 -3.726 -7.413 -19.679 1.00 32.41 N ATOM 166 CA ASN A 10 -4.503 -7.348 -20.912 1.00 4.22 C ATOM 167 C ASN A 10 -4.846 -5.903 -21.262 1.00 61.22 C ATOM 168 O ASN A 10 -5.565 -5.229 -20.525 1.00 63.12 O ATOM 169 CB ASN A 10 -5.786 -8.170 -20.775 1.00 64.14 C ATOM 170 CG ASN A 10 -6.243 -8.751 -22.099 1.00 72.42 C ATOM 171 OD1 ASN A 10 -5.441 -9.282 -22.867 1.00 62.51 O ATOM 172 ND2 ASN A 10 -7.539 -8.653 -22.372 1.00 51.22 N ATOM 0 H ASN A 10 -4.282 -7.570 -18.838 1.00 32.41 H new ATOM 0 HA ASN A 10 -3.897 -7.765 -21.717 1.00 4.22 H new ATOM 0 HB2 ASN A 10 -5.622 -8.979 -20.063 1.00 64.14 H new ATOM 0 HB3 ASN A 10 -6.576 -7.540 -20.365 1.00 64.14 H new ATOM 0 HD21 ASN A 10 -7.905 -9.026 -23.248 1.00 51.22 H new ATOM 0 HD22 ASN A 10 -8.168 -8.205 -21.706 1.00 51.22 H new ATOM 179 N ALA A 11 -4.327 -5.435 -22.393 1.00 11.04 N ATOM 180 CA ALA A 11 -4.581 -4.072 -22.842 1.00 44.14 C ATOM 181 C ALA A 11 -5.916 -3.974 -23.572 1.00 50.01 C ATOM 182 O ALA A 11 -6.530 -2.908 -23.621 1.00 65.52 O ATOM 183 CB ALA A 11 -3.450 -3.594 -23.741 1.00 43.30 C ATOM 0 H ALA A 11 -3.729 -5.980 -23.014 1.00 11.04 H new ATOM 0 HA ALA A 11 -4.629 -3.429 -21.963 1.00 44.14 H new ATOM 0 HB1 ALA A 11 -3.652 -2.575 -24.069 1.00 43.30 H new ATOM 0 HB2 ALA A 11 -2.511 -3.618 -23.188 1.00 43.30 H new ATOM 0 HB3 ALA A 11 -3.375 -4.247 -24.610 1.00 43.30 H new ATOM 189 N GLU A 12 -6.359 -5.092 -24.138 1.00 35.21 N ATOM 190 CA GLU A 12 -7.622 -5.130 -24.866 1.00 70.24 C ATOM 191 C GLU A 12 -8.787 -4.752 -23.956 1.00 70.31 C ATOM 192 O GLU A 12 -9.724 -4.073 -24.376 1.00 44.54 O ATOM 193 CB GLU A 12 -7.853 -6.522 -25.458 1.00 35.32 C ATOM 194 CG GLU A 12 -7.028 -6.799 -26.703 1.00 73.42 C ATOM 195 CD GLU A 12 -7.380 -8.123 -27.353 1.00 60.44 C ATOM 196 OE1 GLU A 12 -7.710 -9.077 -26.618 1.00 51.01 O ATOM 197 OE2 GLU A 12 -7.325 -8.205 -28.598 1.00 71.25 O ATOM 0 H GLU A 12 -5.863 -5.983 -24.107 1.00 35.21 H new ATOM 0 HA GLU A 12 -7.567 -4.403 -25.676 1.00 70.24 H new ATOM 0 HB2 GLU A 12 -7.618 -7.272 -24.703 1.00 35.32 H new ATOM 0 HB3 GLU A 12 -8.910 -6.634 -25.701 1.00 35.32 H new ATOM 0 HG2 GLU A 12 -7.180 -5.994 -27.422 1.00 73.42 H new ATOM 0 HG3 GLU A 12 -5.970 -6.797 -26.441 1.00 73.42 H new ATOM 204 N LYS A 13 -8.722 -5.198 -22.706 1.00 72.32 N ATOM 205 CA LYS A 13 -9.770 -4.908 -21.734 1.00 44.23 C ATOM 206 C LYS A 13 -9.330 -3.808 -20.773 1.00 21.32 C ATOM 207 O LYS A 13 -10.126 -2.955 -20.385 1.00 13.23 O ATOM 208 CB LYS A 13 -10.131 -6.171 -20.950 1.00 61.31 C ATOM 209 CG LYS A 13 -10.665 -7.296 -21.821 1.00 12.54 C ATOM 210 CD LYS A 13 -12.183 -7.276 -21.887 1.00 31.54 C ATOM 211 CE LYS A 13 -12.686 -6.195 -22.830 1.00 14.30 C ATOM 212 NZ LYS A 13 -14.047 -6.503 -23.352 1.00 2.45 N ATOM 0 H LYS A 13 -7.954 -5.762 -22.342 1.00 72.32 H new ATOM 0 HA LYS A 13 -10.649 -4.562 -22.277 1.00 44.23 H new ATOM 0 HB2 LYS A 13 -9.247 -6.523 -20.418 1.00 61.31 H new ATOM 0 HB3 LYS A 13 -10.878 -5.920 -20.197 1.00 61.31 H new ATOM 0 HG2 LYS A 13 -10.255 -7.205 -22.827 1.00 12.54 H new ATOM 0 HG3 LYS A 13 -10.329 -8.255 -21.425 1.00 12.54 H new ATOM 0 HD2 LYS A 13 -12.546 -8.248 -22.220 1.00 31.54 H new ATOM 0 HD3 LYS A 13 -12.589 -7.108 -20.890 1.00 31.54 H new ATOM 0 HE2 LYS A 13 -12.705 -5.238 -22.308 1.00 14.30 H new ATOM 0 HE3 LYS A 13 -11.992 -6.089 -23.664 1.00 14.30 H new ATOM 0 HZ1 LYS A 13 -14.354 -5.742 -23.991 1.00 2.45 H new ATOM 0 HZ2 LYS A 13 -14.024 -7.404 -23.872 1.00 2.45 H new ATOM 0 HZ3 LYS A 13 -14.714 -6.579 -22.558 1.00 2.45 H new ATOM 226 N GLY A 14 -8.056 -3.835 -20.393 1.00 41.21 N ATOM 227 CA GLY A 14 -7.533 -2.834 -19.481 1.00 64.34 C ATOM 228 C GLY A 14 -7.478 -3.327 -18.049 1.00 64.41 C ATOM 229 O GLY A 14 -7.865 -2.613 -17.124 1.00 21.10 O ATOM 0 H GLY A 14 -7.377 -4.532 -20.700 1.00 41.21 H new ATOM 0 HA2 GLY A 14 -6.532 -2.543 -19.801 1.00 64.34 H new ATOM 0 HA3 GLY A 14 -8.156 -1.941 -19.531 1.00 64.34 H new ATOM 233 N TYR A 15 -6.997 -4.552 -17.865 1.00 0.12 N ATOM 234 CA TYR A 15 -6.897 -5.142 -16.535 1.00 43.51 C ATOM 235 C TYR A 15 -5.697 -6.079 -16.444 1.00 22.30 C ATOM 236 O TYR A 15 -5.079 -6.415 -17.453 1.00 43.03 O ATOM 237 CB TYR A 15 -8.179 -5.902 -16.193 1.00 53.33 C ATOM 238 CG TYR A 15 -8.256 -7.274 -16.823 1.00 61.14 C ATOM 239 CD1 TYR A 15 -8.186 -7.432 -18.202 1.00 22.41 C ATOM 240 CD2 TYR A 15 -8.397 -8.413 -16.040 1.00 15.34 C ATOM 241 CE1 TYR A 15 -8.256 -8.684 -18.782 1.00 32.24 C ATOM 242 CE2 TYR A 15 -8.467 -9.669 -16.611 1.00 12.23 C ATOM 243 CZ TYR A 15 -8.397 -9.799 -17.982 1.00 23.30 C ATOM 244 OH TYR A 15 -8.466 -11.048 -18.556 1.00 23.24 O ATOM 0 H TYR A 15 -6.670 -5.155 -18.620 1.00 0.12 H new ATOM 0 HA TYR A 15 -6.760 -4.334 -15.816 1.00 43.51 H new ATOM 0 HB2 TYR A 15 -8.253 -6.004 -15.110 1.00 53.33 H new ATOM 0 HB3 TYR A 15 -9.038 -5.314 -16.517 1.00 53.33 H new ATOM 0 HD1 TYR A 15 -8.075 -6.561 -18.831 1.00 22.41 H new ATOM 0 HD2 TYR A 15 -8.453 -8.315 -14.966 1.00 15.34 H new ATOM 0 HE1 TYR A 15 -8.201 -8.789 -19.855 1.00 32.24 H new ATOM 0 HE2 TYR A 15 -8.576 -10.544 -15.987 1.00 12.23 H new ATOM 0 HH TYR A 15 -8.563 -11.725 -17.855 1.00 23.24 H new ATOM 254 N GLY A 16 -5.373 -6.500 -15.225 1.00 15.44 N ATOM 255 CA GLY A 16 -4.250 -7.395 -15.022 1.00 65.13 C ATOM 256 C GLY A 16 -4.093 -7.811 -13.573 1.00 72.12 C ATOM 257 O GLY A 16 -4.914 -7.458 -12.726 1.00 74.44 O ATOM 0 H GLY A 16 -5.869 -6.236 -14.374 1.00 15.44 H new ATOM 0 HA2 GLY A 16 -4.382 -8.284 -15.639 1.00 65.13 H new ATOM 0 HA3 GLY A 16 -3.335 -6.907 -15.357 1.00 65.13 H new ATOM 261 N PHE A 17 -3.037 -8.565 -13.286 1.00 50.12 N ATOM 262 CA PHE A 17 -2.777 -9.032 -11.930 1.00 31.15 C ATOM 263 C PHE A 17 -1.292 -8.930 -11.594 1.00 60.34 C ATOM 264 O PHE A 17 -0.435 -9.133 -12.455 1.00 74.24 O ATOM 265 CB PHE A 17 -3.251 -10.478 -11.766 1.00 5.12 C ATOM 266 CG PHE A 17 -4.741 -10.609 -11.633 1.00 61.34 C ATOM 267 CD1 PHE A 17 -5.567 -10.418 -12.729 1.00 43.33 C ATOM 268 CD2 PHE A 17 -5.316 -10.924 -10.413 1.00 10.13 C ATOM 269 CE1 PHE A 17 -6.939 -10.538 -12.611 1.00 25.31 C ATOM 270 CE2 PHE A 17 -6.687 -11.046 -10.288 1.00 70.24 C ATOM 271 CZ PHE A 17 -7.499 -10.852 -11.388 1.00 54.15 C ATOM 0 H PHE A 17 -2.347 -8.866 -13.975 1.00 50.12 H new ATOM 0 HA PHE A 17 -3.331 -8.395 -11.241 1.00 31.15 H new ATOM 0 HB2 PHE A 17 -2.918 -11.061 -12.625 1.00 5.12 H new ATOM 0 HB3 PHE A 17 -2.776 -10.910 -10.885 1.00 5.12 H new ATOM 0 HD1 PHE A 17 -5.134 -10.172 -13.687 1.00 43.33 H new ATOM 0 HD2 PHE A 17 -4.686 -11.076 -9.549 1.00 10.13 H new ATOM 0 HE1 PHE A 17 -7.572 -10.387 -13.473 1.00 25.31 H new ATOM 0 HE2 PHE A 17 -7.123 -11.293 -9.331 1.00 70.24 H new ATOM 0 HZ PHE A 17 -8.571 -10.946 -11.292 1.00 54.15 H new ATOM 281 N ILE A 18 -0.995 -8.614 -10.338 1.00 74.44 N ATOM 282 CA ILE A 18 0.385 -8.486 -9.889 1.00 63.01 C ATOM 283 C ILE A 18 0.684 -9.453 -8.748 1.00 43.14 C ATOM 284 O ILE A 18 -0.153 -9.673 -7.874 1.00 21.41 O ATOM 285 CB ILE A 18 0.695 -7.051 -9.425 1.00 2.41 C ATOM 286 CG1 ILE A 18 0.462 -6.060 -10.568 1.00 32.24 C ATOM 287 CG2 ILE A 18 2.126 -6.955 -8.918 1.00 64.20 C ATOM 288 CD1 ILE A 18 0.035 -4.687 -10.099 1.00 54.22 C ATOM 0 H ILE A 18 -1.692 -8.442 -9.613 1.00 74.44 H new ATOM 0 HA ILE A 18 1.018 -8.728 -10.743 1.00 63.01 H new ATOM 0 HB ILE A 18 0.022 -6.797 -8.606 1.00 2.41 H new ATOM 0 HG12 ILE A 18 1.379 -5.967 -11.150 1.00 32.24 H new ATOM 0 HG13 ILE A 18 -0.301 -6.461 -11.236 1.00 32.24 H new ATOM 0 HG21 ILE A 18 2.329 -5.934 -8.594 1.00 64.20 H new ATOM 0 HG22 ILE A 18 2.261 -7.636 -8.078 1.00 64.20 H new ATOM 0 HG23 ILE A 18 2.815 -7.225 -9.719 1.00 64.20 H new ATOM 0 HD11 ILE A 18 -0.112 -4.037 -10.962 1.00 54.22 H new ATOM 0 HD12 ILE A 18 -0.898 -4.767 -9.542 1.00 54.22 H new ATOM 0 HD13 ILE A 18 0.807 -4.266 -9.455 1.00 54.22 H new ATOM 300 N GLN A 19 1.884 -10.025 -8.764 1.00 71.01 N ATOM 301 CA GLN A 19 2.294 -10.968 -7.730 1.00 13.42 C ATOM 302 C GLN A 19 3.353 -10.352 -6.822 1.00 22.44 C ATOM 303 O GLN A 19 4.416 -9.940 -7.284 1.00 42.34 O ATOM 304 CB GLN A 19 2.832 -12.251 -8.364 1.00 73.32 C ATOM 305 CG GLN A 19 2.035 -12.712 -9.575 1.00 5.24 C ATOM 306 CD GLN A 19 0.542 -12.742 -9.314 1.00 4.01 C ATOM 307 OE1 GLN A 19 -0.202 -11.914 -10.037 1.00 72.35 O flip ATOM 308 NE2 GLN A 19 0.063 -13.501 -8.471 1.00 40.42 N flip ATOM 0 H GLN A 19 2.589 -9.852 -9.481 1.00 71.01 H new ATOM 0 HA GLN A 19 1.419 -11.210 -7.126 1.00 13.42 H new ATOM 0 HB2 GLN A 19 3.869 -12.093 -8.661 1.00 73.32 H new ATOM 0 HB3 GLN A 19 2.832 -13.044 -7.616 1.00 73.32 H new ATOM 0 HG2 GLN A 19 2.240 -12.048 -10.414 1.00 5.24 H new ATOM 0 HG3 GLN A 19 2.369 -13.708 -9.867 1.00 5.24 H new ATOM 0 HE21 GLN A 19 0.673 -14.121 -7.938 1.00 40.42 H new ATOM 0 HE22 GLN A 19 -0.944 -13.510 -8.306 1.00 40.42 H new ATOM 317 N GLN A 20 3.055 -10.295 -5.528 1.00 2.54 N ATOM 318 CA GLN A 20 3.983 -9.728 -4.555 1.00 75.42 C ATOM 319 C GLN A 20 4.649 -10.828 -3.735 1.00 2.32 C ATOM 320 O GLN A 20 4.495 -12.013 -4.028 1.00 2.15 O ATOM 321 CB GLN A 20 3.252 -8.756 -3.628 1.00 54.21 C ATOM 322 CG GLN A 20 2.201 -9.422 -2.754 1.00 53.55 C ATOM 323 CD GLN A 20 0.819 -9.391 -3.378 1.00 21.51 C ATOM 324 OE1 GLN A 20 0.573 -10.030 -4.402 1.00 5.21 O ATOM 325 NE2 GLN A 20 -0.092 -8.648 -2.762 1.00 55.32 N ATOM 0 H GLN A 20 2.180 -10.634 -5.129 1.00 2.54 H new ATOM 0 HA GLN A 20 4.756 -9.187 -5.100 1.00 75.42 H new ATOM 0 HB2 GLN A 20 3.981 -8.258 -2.989 1.00 54.21 H new ATOM 0 HB3 GLN A 20 2.775 -7.982 -4.230 1.00 54.21 H new ATOM 0 HG2 GLN A 20 2.489 -10.457 -2.570 1.00 53.55 H new ATOM 0 HG3 GLN A 20 2.170 -8.923 -1.786 1.00 53.55 H new ATOM 0 HE21 GLN A 20 0.156 -8.135 -1.916 1.00 55.32 H new ATOM 0 HE22 GLN A 20 -1.040 -8.590 -3.135 1.00 55.32 H new ATOM 397 N VAL A 26 -3.260 -9.744 -7.173 1.00 74.13 N ATOM 398 CA VAL A 26 -3.996 -8.524 -6.865 1.00 1.42 C ATOM 399 C VAL A 26 -4.787 -8.038 -8.074 1.00 71.22 C ATOM 400 O VAL A 26 -4.404 -8.281 -9.219 1.00 23.13 O ATOM 401 CB VAL A 26 -3.050 -7.401 -6.400 1.00 1.33 C ATOM 402 CG1 VAL A 26 -2.606 -6.553 -7.582 1.00 3.43 C ATOM 403 CG2 VAL A 26 -3.724 -6.542 -5.340 1.00 45.10 C ATOM 0 HA VAL A 26 -4.686 -8.767 -6.057 1.00 1.42 H new ATOM 0 HB VAL A 26 -2.164 -7.856 -5.957 1.00 1.33 H new ATOM 0 HG11 VAL A 26 -1.938 -5.765 -7.234 1.00 3.43 H new ATOM 0 HG12 VAL A 26 -2.082 -7.180 -8.303 1.00 3.43 H new ATOM 0 HG13 VAL A 26 -3.479 -6.105 -8.057 1.00 3.43 H new ATOM 0 HG21 VAL A 26 -3.042 -5.754 -5.023 1.00 45.10 H new ATOM 0 HG22 VAL A 26 -4.627 -6.095 -5.755 1.00 45.10 H new ATOM 0 HG23 VAL A 26 -3.986 -7.162 -4.482 1.00 45.10 H new ATOM 413 N PHE A 27 -5.894 -7.350 -7.813 1.00 63.30 N ATOM 414 CA PHE A 27 -6.740 -6.830 -8.880 1.00 74.34 C ATOM 415 C PHE A 27 -6.228 -5.479 -9.372 1.00 32.44 C ATOM 416 O PHE A 27 -6.229 -4.496 -8.631 1.00 53.24 O ATOM 417 CB PHE A 27 -8.185 -6.695 -8.394 1.00 42.41 C ATOM 418 CG PHE A 27 -9.205 -7.019 -9.448 1.00 1.23 C ATOM 419 CD1 PHE A 27 -9.177 -8.237 -10.106 1.00 63.54 C ATOM 420 CD2 PHE A 27 -10.192 -6.105 -9.779 1.00 75.21 C ATOM 421 CE1 PHE A 27 -10.114 -8.538 -11.077 1.00 2.21 C ATOM 422 CE2 PHE A 27 -11.133 -6.400 -10.748 1.00 64.25 C ATOM 423 CZ PHE A 27 -11.094 -7.619 -11.397 1.00 44.44 C ATOM 0 H PHE A 27 -6.226 -7.140 -6.872 1.00 63.30 H new ATOM 0 HA PHE A 27 -6.708 -7.535 -9.711 1.00 74.34 H new ATOM 0 HB2 PHE A 27 -8.335 -7.354 -7.539 1.00 42.41 H new ATOM 0 HB3 PHE A 27 -8.348 -5.676 -8.043 1.00 42.41 H new ATOM 0 HD1 PHE A 27 -8.414 -8.960 -9.858 1.00 63.54 H new ATOM 0 HD2 PHE A 27 -10.227 -5.151 -9.274 1.00 75.21 H new ATOM 0 HE1 PHE A 27 -10.080 -9.491 -11.585 1.00 2.21 H new ATOM 0 HE2 PHE A 27 -11.897 -5.679 -10.997 1.00 64.25 H new ATOM 0 HZ PHE A 27 -11.829 -7.853 -12.153 1.00 44.44 H new ATOM 433 N VAL A 28 -5.790 -5.440 -10.626 1.00 52.00 N ATOM 434 CA VAL A 28 -5.275 -4.211 -11.218 1.00 14.23 C ATOM 435 C VAL A 28 -6.051 -3.840 -12.476 1.00 55.24 C ATOM 436 O VAL A 28 -6.478 -4.711 -13.235 1.00 52.21 O ATOM 437 CB VAL A 28 -3.781 -4.340 -11.568 1.00 52.35 C ATOM 438 CG1 VAL A 28 -3.139 -5.462 -10.767 1.00 12.21 C ATOM 439 CG2 VAL A 28 -3.603 -4.570 -13.061 1.00 62.45 C ATOM 0 H VAL A 28 -5.781 -6.245 -11.252 1.00 52.00 H new ATOM 0 HA VAL A 28 -5.399 -3.425 -10.474 1.00 14.23 H new ATOM 0 HB VAL A 28 -3.282 -3.408 -11.305 1.00 52.35 H new ATOM 0 HG11 VAL A 28 -2.083 -5.538 -11.028 1.00 12.21 H new ATOM 0 HG12 VAL A 28 -3.235 -5.250 -9.702 1.00 12.21 H new ATOM 0 HG13 VAL A 28 -3.638 -6.404 -10.996 1.00 12.21 H new ATOM 0 HG21 VAL A 28 -2.541 -4.659 -13.291 1.00 62.45 H new ATOM 0 HG22 VAL A 28 -4.115 -5.487 -13.351 1.00 62.45 H new ATOM 0 HG23 VAL A 28 -4.025 -3.729 -13.612 1.00 62.45 H new ATOM 449 N HIS A 29 -6.231 -2.541 -12.693 1.00 1.41 N ATOM 450 CA HIS A 29 -6.955 -2.053 -13.861 1.00 73.23 C ATOM 451 C HIS A 29 -6.370 -0.732 -14.352 1.00 23.43 C ATOM 452 O HIS A 29 -5.689 -0.028 -13.606 1.00 22.54 O ATOM 453 CB HIS A 29 -8.438 -1.876 -13.531 1.00 43.13 C ATOM 454 CG HIS A 29 -9.253 -3.113 -13.753 1.00 42.43 C ATOM 455 ND1 HIS A 29 -10.119 -3.262 -14.815 1.00 74.23 N ATOM 456 CD2 HIS A 29 -9.328 -4.262 -13.043 1.00 73.51 C ATOM 457 CE1 HIS A 29 -10.694 -4.450 -14.748 1.00 11.21 C ATOM 458 NE2 HIS A 29 -10.231 -5.077 -13.682 1.00 2.12 N ATOM 0 H HIS A 29 -5.885 -1.807 -12.075 1.00 1.41 H new ATOM 0 HA HIS A 29 -6.852 -2.792 -14.655 1.00 73.23 H new ATOM 0 HB2 HIS A 29 -8.536 -1.568 -12.490 1.00 43.13 H new ATOM 0 HB3 HIS A 29 -8.844 -1.069 -14.141 1.00 43.13 H new ATOM 0 HD2 HIS A 29 -8.780 -4.495 -12.142 1.00 73.51 H new ATOM 0 HE1 HIS A 29 -11.419 -4.841 -15.446 1.00 11.21 H new ATOM 0 HE2 HIS A 29 -10.500 -6.014 -13.382 1.00 2.12 H new ATOM 466 N PHE A 30 -6.639 -0.403 -15.611 1.00 5.34 N ATOM 467 CA PHE A 30 -6.137 0.833 -16.201 1.00 63.42 C ATOM 468 C PHE A 30 -6.622 2.047 -15.415 1.00 41.45 C ATOM 469 O PHE A 30 -6.040 3.130 -15.500 1.00 74.34 O ATOM 470 CB PHE A 30 -6.583 0.943 -17.660 1.00 54.45 C ATOM 471 CG PHE A 30 -8.021 1.350 -17.818 1.00 63.02 C ATOM 472 CD1 PHE A 30 -9.042 0.471 -17.497 1.00 73.31 C ATOM 473 CD2 PHE A 30 -8.350 2.611 -18.287 1.00 51.50 C ATOM 474 CE1 PHE A 30 -10.366 0.842 -17.642 1.00 44.22 C ATOM 475 CE2 PHE A 30 -9.672 2.989 -18.434 1.00 22.33 C ATOM 476 CZ PHE A 30 -10.681 2.103 -18.110 1.00 2.12 C ATOM 0 H PHE A 30 -7.201 -0.974 -16.242 1.00 5.34 H new ATOM 0 HA PHE A 30 -5.048 0.810 -16.162 1.00 63.42 H new ATOM 0 HB2 PHE A 30 -5.950 1.668 -18.171 1.00 54.45 H new ATOM 0 HB3 PHE A 30 -6.429 -0.017 -18.152 1.00 54.45 H new ATOM 0 HD1 PHE A 30 -8.801 -0.515 -17.129 1.00 73.31 H new ATOM 0 HD2 PHE A 30 -7.565 3.307 -18.541 1.00 51.50 H new ATOM 0 HE1 PHE A 30 -11.153 0.147 -17.390 1.00 44.22 H new ATOM 0 HE2 PHE A 30 -9.915 3.975 -18.801 1.00 22.33 H new ATOM 0 HZ PHE A 30 -11.715 2.396 -18.222 1.00 2.12 H new ATOM 486 N THR A 31 -7.693 1.861 -14.650 1.00 63.40 N ATOM 487 CA THR A 31 -8.258 2.940 -13.850 1.00 72.23 C ATOM 488 C THR A 31 -7.590 3.018 -12.482 1.00 53.53 C ATOM 489 O THR A 31 -8.023 3.773 -11.612 1.00 53.42 O ATOM 490 CB THR A 31 -9.776 2.761 -13.658 1.00 71.23 C ATOM 491 OG1 THR A 31 -10.302 3.840 -12.878 1.00 2.21 O ATOM 492 CG2 THR A 31 -10.083 1.437 -12.974 1.00 4.31 C ATOM 0 H THR A 31 -8.187 0.972 -14.568 1.00 63.40 H new ATOM 0 HA THR A 31 -8.075 3.866 -14.394 1.00 72.23 H new ATOM 0 HB THR A 31 -10.246 2.761 -14.641 1.00 71.23 H new ATOM 0 HG1 THR A 31 -9.577 4.261 -12.371 1.00 2.21 H new ATOM 0 HG21 THR A 31 -11.161 1.333 -12.849 1.00 4.31 H new ATOM 0 HG22 THR A 31 -9.708 0.616 -13.585 1.00 4.31 H new ATOM 0 HG23 THR A 31 -9.601 1.412 -11.997 1.00 4.31 H new ATOM 500 N ALA A 32 -6.533 2.235 -12.299 1.00 61.52 N ATOM 501 CA ALA A 32 -5.803 2.218 -11.037 1.00 54.04 C ATOM 502 C ALA A 32 -4.298 2.280 -11.273 1.00 30.13 C ATOM 503 O ALA A 32 -3.509 2.168 -10.334 1.00 63.32 O ATOM 504 CB ALA A 32 -6.164 0.976 -10.236 1.00 3.13 C ATOM 0 H ALA A 32 -6.162 1.603 -13.009 1.00 61.52 H new ATOM 0 HA ALA A 32 -6.091 3.101 -10.466 1.00 54.04 H new ATOM 0 HB1 ALA A 32 -5.612 0.976 -9.296 1.00 3.13 H new ATOM 0 HB2 ALA A 32 -7.234 0.975 -10.028 1.00 3.13 H new ATOM 0 HB3 ALA A 32 -5.905 0.086 -10.809 1.00 3.13 H new ATOM 510 N ILE A 33 -3.907 2.458 -12.530 1.00 53.10 N ATOM 511 CA ILE A 33 -2.496 2.535 -12.887 1.00 52.03 C ATOM 512 C ILE A 33 -1.998 3.976 -12.851 1.00 23.41 C ATOM 513 O ILE A 33 -2.545 4.849 -13.523 1.00 32.10 O ATOM 514 CB ILE A 33 -2.237 1.949 -14.288 1.00 55.30 C ATOM 515 CG1 ILE A 33 -2.476 0.438 -14.285 1.00 31.02 C ATOM 516 CG2 ILE A 33 -0.820 2.266 -14.741 1.00 51.30 C ATOM 517 CD1 ILE A 33 -2.747 -0.134 -15.659 1.00 3.12 C ATOM 0 H ILE A 33 -4.547 2.552 -13.318 1.00 53.10 H new ATOM 0 HA ILE A 33 -1.951 1.946 -12.149 1.00 52.03 H new ATOM 0 HB ILE A 33 -2.933 2.406 -14.991 1.00 55.30 H new ATOM 0 HG12 ILE A 33 -1.604 -0.059 -13.859 1.00 31.02 H new ATOM 0 HG13 ILE A 33 -3.321 0.213 -13.634 1.00 31.02 H new ATOM 0 HG21 ILE A 33 -0.652 1.845 -15.732 1.00 51.30 H new ATOM 0 HG22 ILE A 33 -0.683 3.347 -14.777 1.00 51.30 H new ATOM 0 HG23 ILE A 33 -0.108 1.833 -14.038 1.00 51.30 H new ATOM 0 HD11 ILE A 33 -2.907 -1.209 -15.580 1.00 3.12 H new ATOM 0 HD12 ILE A 33 -3.636 0.335 -16.080 1.00 3.12 H new ATOM 0 HD13 ILE A 33 -1.893 0.059 -16.308 1.00 3.12 H new ATOM 529 N GLU A 34 -0.954 4.215 -12.063 1.00 14.43 N ATOM 530 CA GLU A 34 -0.381 5.551 -11.940 1.00 74.40 C ATOM 531 C GLU A 34 0.980 5.624 -12.626 1.00 72.30 C ATOM 532 O GLU A 34 2.010 5.340 -12.016 1.00 1.11 O ATOM 533 CB GLU A 34 -0.243 5.937 -10.466 1.00 12.01 C ATOM 534 CG GLU A 34 -1.503 5.695 -9.652 1.00 74.54 C ATOM 535 CD GLU A 34 -2.067 6.970 -9.056 1.00 21.54 C ATOM 536 OE1 GLU A 34 -1.270 7.866 -8.709 1.00 62.02 O ATOM 537 OE2 GLU A 34 -3.306 7.070 -8.935 1.00 41.42 O ATOM 0 H GLU A 34 -0.488 3.502 -11.501 1.00 14.43 H new ATOM 0 HA GLU A 34 -1.054 6.254 -12.431 1.00 74.40 H new ATOM 0 HB2 GLU A 34 0.578 5.370 -10.026 1.00 12.01 H new ATOM 0 HB3 GLU A 34 0.026 6.991 -10.399 1.00 12.01 H new ATOM 0 HG2 GLU A 34 -2.257 5.231 -10.287 1.00 74.54 H new ATOM 0 HG3 GLU A 34 -1.283 4.990 -8.850 1.00 74.54 H new ATOM 631 N LEU A 41 1.628 -2.665 -19.205 1.00 65.34 N ATOM 632 CA LEU A 41 2.672 -3.401 -18.500 1.00 4.42 C ATOM 633 C LEU A 41 3.128 -4.611 -19.309 1.00 14.12 C ATOM 634 O LEU A 41 2.465 -5.018 -20.262 1.00 15.14 O ATOM 635 CB LEU A 41 2.168 -3.850 -17.128 1.00 20.55 C ATOM 636 CG LEU A 41 2.298 -2.829 -15.997 1.00 32.31 C ATOM 637 CD1 LEU A 41 1.617 -1.523 -16.376 1.00 64.25 C ATOM 638 CD2 LEU A 41 1.710 -3.384 -14.707 1.00 42.23 C ATOM 0 HA LEU A 41 3.525 -2.735 -18.367 1.00 4.42 H new ATOM 0 HB2 LEU A 41 1.118 -4.126 -17.222 1.00 20.55 H new ATOM 0 HB3 LEU A 41 2.710 -4.751 -16.841 1.00 20.55 H new ATOM 0 HG LEU A 41 3.357 -2.629 -15.834 1.00 32.31 H new ATOM 0 HD11 LEU A 41 1.720 -0.809 -15.559 1.00 64.25 H new ATOM 0 HD12 LEU A 41 2.083 -1.117 -17.274 1.00 64.25 H new ATOM 0 HD13 LEU A 41 0.560 -1.706 -16.567 1.00 64.25 H new ATOM 0 HD21 LEU A 41 1.811 -2.644 -13.913 1.00 42.23 H new ATOM 0 HD22 LEU A 41 0.655 -3.613 -14.857 1.00 42.23 H new ATOM 0 HD23 LEU A 41 2.242 -4.293 -14.426 1.00 42.23 H new ATOM 650 N ASN A 42 4.263 -5.183 -18.920 1.00 53.13 N ATOM 651 CA ASN A 42 4.806 -6.348 -19.609 1.00 30.34 C ATOM 652 C ASN A 42 5.026 -7.502 -18.635 1.00 11.24 C ATOM 653 O ASN A 42 5.677 -7.340 -17.603 1.00 14.21 O ATOM 654 CB ASN A 42 6.124 -5.991 -20.299 1.00 12.42 C ATOM 655 CG ASN A 42 6.056 -4.658 -21.019 1.00 50.22 C ATOM 656 OD1 ASN A 42 5.108 -4.385 -21.755 1.00 73.13 O ATOM 657 ND2 ASN A 42 7.065 -3.820 -20.810 1.00 31.23 N ATOM 0 H ASN A 42 4.824 -4.859 -18.132 1.00 53.13 H new ATOM 0 HA ASN A 42 4.083 -6.663 -20.362 1.00 30.34 H new ATOM 0 HB2 ASN A 42 6.923 -5.960 -19.558 1.00 12.42 H new ATOM 0 HB3 ASN A 42 6.381 -6.774 -21.013 1.00 12.42 H new ATOM 0 HD21 ASN A 42 7.074 -2.909 -21.268 1.00 31.23 H new ATOM 0 HD22 ASN A 42 7.831 -4.088 -20.191 1.00 31.23 H new ATOM 664 N GLU A 43 4.479 -8.666 -18.971 1.00 12.20 N ATOM 665 CA GLU A 43 4.615 -9.846 -18.126 1.00 25.04 C ATOM 666 C GLU A 43 6.079 -10.099 -17.776 1.00 44.44 C ATOM 667 O GLU A 43 6.929 -10.211 -18.659 1.00 71.41 O ATOM 668 CB GLU A 43 4.028 -11.073 -18.826 1.00 33.03 C ATOM 669 CG GLU A 43 4.191 -12.361 -18.036 1.00 43.12 C ATOM 670 CD GLU A 43 3.882 -13.595 -18.862 1.00 2.41 C ATOM 671 OE1 GLU A 43 3.229 -13.455 -19.917 1.00 45.11 O ATOM 672 OE2 GLU A 43 4.294 -14.700 -18.452 1.00 71.32 O ATOM 0 H GLU A 43 3.938 -8.817 -19.822 1.00 12.20 H new ATOM 0 HA GLU A 43 4.064 -9.665 -17.203 1.00 25.04 H new ATOM 0 HB2 GLU A 43 2.968 -10.902 -19.012 1.00 33.03 H new ATOM 0 HB3 GLU A 43 4.507 -11.190 -19.798 1.00 33.03 H new ATOM 0 HG2 GLU A 43 5.212 -12.426 -17.661 1.00 43.12 H new ATOM 0 HG3 GLU A 43 3.533 -12.336 -17.167 1.00 43.12 H new ATOM 679 N GLY A 44 6.366 -10.186 -16.481 1.00 3.20 N ATOM 680 CA GLY A 44 7.727 -10.424 -16.037 1.00 44.41 C ATOM 681 C GLY A 44 8.377 -9.178 -15.468 1.00 23.24 C ATOM 682 O GLY A 44 9.410 -9.258 -14.804 1.00 24.30 O ATOM 0 H GLY A 44 5.680 -10.096 -15.731 1.00 3.20 H new ATOM 0 HA2 GLY A 44 7.727 -11.208 -15.280 1.00 44.41 H new ATOM 0 HA3 GLY A 44 8.321 -10.790 -16.875 1.00 44.41 H new ATOM 686 N GLU A 45 7.772 -8.024 -15.729 1.00 34.01 N ATOM 687 CA GLU A 45 8.301 -6.756 -15.239 1.00 75.51 C ATOM 688 C GLU A 45 7.804 -6.470 -13.825 1.00 55.42 C ATOM 689 O GLU A 45 6.784 -7.008 -13.392 1.00 51.43 O ATOM 690 CB GLU A 45 7.898 -5.615 -16.175 1.00 14.34 C ATOM 691 CG GLU A 45 8.603 -4.303 -15.873 1.00 60.12 C ATOM 692 CD GLU A 45 9.008 -3.557 -17.129 1.00 43.43 C ATOM 693 OE1 GLU A 45 8.121 -2.964 -17.778 1.00 42.44 O ATOM 694 OE2 GLU A 45 10.211 -3.565 -17.463 1.00 64.44 O ATOM 0 H GLU A 45 6.916 -7.940 -16.277 1.00 34.01 H new ATOM 0 HA GLU A 45 9.388 -6.829 -15.215 1.00 75.51 H new ATOM 0 HB2 GLU A 45 8.114 -5.906 -17.203 1.00 14.34 H new ATOM 0 HB3 GLU A 45 6.821 -5.463 -16.107 1.00 14.34 H new ATOM 0 HG2 GLU A 45 7.946 -3.671 -15.275 1.00 60.12 H new ATOM 0 HG3 GLU A 45 9.490 -4.501 -15.271 1.00 60.12 H new ATOM 701 N HIS A 46 8.532 -5.618 -13.110 1.00 32.45 N ATOM 702 CA HIS A 46 8.166 -5.259 -11.744 1.00 73.31 C ATOM 703 C HIS A 46 7.303 -4.001 -11.726 1.00 32.11 C ATOM 704 O HIS A 46 7.550 -3.055 -12.474 1.00 64.31 O ATOM 705 CB HIS A 46 9.420 -5.044 -10.897 1.00 43.52 C ATOM 706 CG HIS A 46 10.611 -5.811 -11.384 1.00 51.43 C ATOM 707 ND1 HIS A 46 10.910 -7.087 -10.958 1.00 34.34 N ATOM 708 CD2 HIS A 46 11.579 -5.475 -12.268 1.00 42.25 C ATOM 709 CE1 HIS A 46 12.011 -7.503 -11.557 1.00 21.11 C ATOM 710 NE2 HIS A 46 12.437 -6.543 -12.358 1.00 61.31 N ATOM 0 H HIS A 46 9.378 -5.164 -13.453 1.00 32.45 H new ATOM 0 HA HIS A 46 7.588 -6.081 -11.321 1.00 73.31 H new ATOM 0 HB2 HIS A 46 9.663 -3.981 -10.885 1.00 43.52 H new ATOM 0 HB3 HIS A 46 9.207 -5.334 -9.868 1.00 43.52 H new ATOM 0 HD2 HIS A 46 11.661 -4.541 -12.803 1.00 42.25 H new ATOM 0 HE1 HIS A 46 12.483 -8.464 -11.416 1.00 21.11 H new ATOM 0 HE2 HIS A 46 13.268 -6.588 -12.948 1.00 61.31 H new ATOM 718 N VAL A 47 6.288 -3.997 -10.867 1.00 63.40 N ATOM 719 CA VAL A 47 5.389 -2.856 -10.751 1.00 52.22 C ATOM 720 C VAL A 47 4.739 -2.806 -9.373 1.00 2.50 C ATOM 721 O VAL A 47 4.413 -3.840 -8.792 1.00 61.11 O ATOM 722 CB VAL A 47 4.286 -2.899 -11.825 1.00 73.23 C ATOM 723 CG1 VAL A 47 4.896 -2.879 -13.219 1.00 33.14 C ATOM 724 CG2 VAL A 47 3.407 -4.127 -11.637 1.00 0.43 C ATOM 0 H VAL A 47 6.068 -4.772 -10.241 1.00 63.40 H new ATOM 0 HA VAL A 47 5.994 -1.961 -10.897 1.00 52.22 H new ATOM 0 HB VAL A 47 3.662 -2.012 -11.715 1.00 73.23 H new ATOM 0 HG11 VAL A 47 4.101 -2.910 -13.964 1.00 33.14 H new ATOM 0 HG12 VAL A 47 5.479 -1.967 -13.348 1.00 33.14 H new ATOM 0 HG13 VAL A 47 5.545 -3.746 -13.345 1.00 33.14 H new ATOM 0 HG21 VAL A 47 2.633 -4.141 -12.404 1.00 0.43 H new ATOM 0 HG22 VAL A 47 4.017 -5.027 -11.719 1.00 0.43 H new ATOM 0 HG23 VAL A 47 2.941 -4.094 -10.652 1.00 0.43 H new ATOM 734 N GLU A 48 4.554 -1.595 -8.856 1.00 10.12 N ATOM 735 CA GLU A 48 3.943 -1.410 -7.545 1.00 21.44 C ATOM 736 C GLU A 48 2.424 -1.330 -7.659 1.00 35.32 C ATOM 737 O GLU A 48 1.883 -1.093 -8.739 1.00 54.01 O ATOM 738 CB GLU A 48 4.483 -0.143 -6.880 1.00 1.44 C ATOM 739 CG GLU A 48 4.104 -0.016 -5.414 1.00 5.34 C ATOM 740 CD GLU A 48 4.824 1.126 -4.722 1.00 53.21 C ATOM 741 OE1 GLU A 48 6.072 1.146 -4.754 1.00 1.11 O ATOM 742 OE2 GLU A 48 4.139 1.999 -4.149 1.00 40.11 O ATOM 0 H GLU A 48 4.818 -0.728 -9.325 1.00 10.12 H new ATOM 0 HA GLU A 48 4.199 -2.272 -6.929 1.00 21.44 H new ATOM 0 HB2 GLU A 48 5.569 -0.131 -6.968 1.00 1.44 H new ATOM 0 HB3 GLU A 48 4.110 0.728 -7.420 1.00 1.44 H new ATOM 0 HG2 GLU A 48 3.028 0.136 -5.333 1.00 5.34 H new ATOM 0 HG3 GLU A 48 4.334 -0.950 -4.901 1.00 5.34 H new ATOM 749 N PHE A 49 1.740 -1.531 -6.537 1.00 4.53 N ATOM 750 CA PHE A 49 0.283 -1.483 -6.510 1.00 1.21 C ATOM 751 C PHE A 49 -0.230 -1.331 -5.081 1.00 21.41 C ATOM 752 O PHE A 49 0.185 -2.061 -4.181 1.00 63.13 O ATOM 753 CB PHE A 49 -0.301 -2.747 -7.142 1.00 74.54 C ATOM 754 CG PHE A 49 0.057 -4.007 -6.406 1.00 14.52 C ATOM 755 CD1 PHE A 49 1.252 -4.659 -6.662 1.00 40.42 C ATOM 756 CD2 PHE A 49 -0.802 -4.538 -5.457 1.00 2.42 C ATOM 757 CE1 PHE A 49 1.583 -5.818 -5.986 1.00 44.24 C ATOM 758 CE2 PHE A 49 -0.476 -5.696 -4.777 1.00 65.44 C ATOM 759 CZ PHE A 49 0.719 -6.337 -5.042 1.00 3.40 C ATOM 0 H PHE A 49 2.172 -1.729 -5.634 1.00 4.53 H new ATOM 0 HA PHE A 49 -0.038 -0.615 -7.086 1.00 1.21 H new ATOM 0 HB2 PHE A 49 -1.386 -2.655 -7.182 1.00 74.54 H new ATOM 0 HB3 PHE A 49 0.050 -2.825 -8.171 1.00 74.54 H new ATOM 0 HD1 PHE A 49 1.933 -4.257 -7.398 1.00 40.42 H new ATOM 0 HD2 PHE A 49 -1.737 -4.041 -5.246 1.00 2.42 H new ATOM 0 HE1 PHE A 49 2.517 -6.318 -6.196 1.00 44.24 H new ATOM 0 HE2 PHE A 49 -1.154 -6.099 -4.040 1.00 65.44 H new ATOM 0 HZ PHE A 49 0.977 -7.242 -4.512 1.00 3.40 H new ATOM 769 N GLU A 50 -1.135 -0.378 -4.881 1.00 63.11 N ATOM 770 CA GLU A 50 -1.703 -0.130 -3.561 1.00 52.14 C ATOM 771 C GLU A 50 -3.045 -0.839 -3.405 1.00 55.12 C ATOM 772 O GLU A 50 -4.072 -0.363 -3.891 1.00 63.54 O ATOM 773 CB GLU A 50 -1.878 1.373 -3.331 1.00 61.32 C ATOM 774 CG GLU A 50 -1.099 1.900 -2.138 1.00 11.21 C ATOM 775 CD GLU A 50 -2.002 2.395 -1.025 1.00 0.13 C ATOM 776 OE1 GLU A 50 -2.953 3.147 -1.323 1.00 52.44 O ATOM 777 OE2 GLU A 50 -1.758 2.031 0.144 1.00 24.14 O ATOM 0 H GLU A 50 -1.490 0.234 -5.615 1.00 63.11 H new ATOM 0 HA GLU A 50 -1.013 -0.526 -2.816 1.00 52.14 H new ATOM 0 HB2 GLU A 50 -1.562 1.908 -4.226 1.00 61.32 H new ATOM 0 HB3 GLU A 50 -2.937 1.589 -3.188 1.00 61.32 H new ATOM 0 HG2 GLU A 50 -0.453 1.111 -1.753 1.00 11.21 H new ATOM 0 HG3 GLU A 50 -0.450 2.713 -2.463 1.00 11.21 H new ATOM 784 N VAL A 51 -3.030 -1.980 -2.724 1.00 25.14 N ATOM 785 CA VAL A 51 -4.244 -2.755 -2.502 1.00 73.32 C ATOM 786 C VAL A 51 -5.249 -1.974 -1.663 1.00 74.31 C ATOM 787 O VAL A 51 -4.940 -1.537 -0.555 1.00 52.34 O ATOM 788 CB VAL A 51 -3.937 -4.092 -1.802 1.00 70.53 C ATOM 789 CG1 VAL A 51 -3.021 -4.948 -2.664 1.00 23.13 C ATOM 790 CG2 VAL A 51 -3.320 -3.847 -0.434 1.00 31.54 C ATOM 0 H VAL A 51 -2.189 -2.388 -2.316 1.00 25.14 H new ATOM 0 HA VAL A 51 -4.673 -2.958 -3.483 1.00 73.32 H new ATOM 0 HB VAL A 51 -4.873 -4.632 -1.661 1.00 70.53 H new ATOM 0 HG11 VAL A 51 -2.815 -5.889 -2.153 1.00 23.13 H new ATOM 0 HG12 VAL A 51 -3.506 -5.152 -3.619 1.00 23.13 H new ATOM 0 HG13 VAL A 51 -2.085 -4.417 -2.838 1.00 23.13 H new ATOM 0 HG21 VAL A 51 -3.109 -4.802 0.047 1.00 31.54 H new ATOM 0 HG22 VAL A 51 -2.392 -3.286 -0.548 1.00 31.54 H new ATOM 0 HG23 VAL A 51 -4.015 -3.277 0.182 1.00 31.54 H new ATOM 800 N GLU A 52 -6.454 -1.804 -2.199 1.00 41.12 N ATOM 801 CA GLU A 52 -7.505 -1.075 -1.499 1.00 2.22 C ATOM 802 C GLU A 52 -8.662 -2.001 -1.138 1.00 73.42 C ATOM 803 O GLU A 52 -8.827 -3.081 -1.707 1.00 52.33 O ATOM 804 CB GLU A 52 -8.013 0.083 -2.360 1.00 14.43 C ATOM 805 CG GLU A 52 -7.568 1.450 -1.866 1.00 74.21 C ATOM 806 CD GLU A 52 -8.657 2.498 -1.990 1.00 72.13 C ATOM 807 OE1 GLU A 52 -9.839 2.155 -1.777 1.00 62.04 O ATOM 808 OE2 GLU A 52 -8.327 3.662 -2.300 1.00 63.23 O ATOM 0 H GLU A 52 -6.726 -2.161 -3.115 1.00 41.12 H new ATOM 0 HA GLU A 52 -7.082 -0.675 -0.577 1.00 2.22 H new ATOM 0 HB2 GLU A 52 -7.664 -0.056 -3.383 1.00 14.43 H new ATOM 0 HB3 GLU A 52 -9.102 0.053 -2.388 1.00 14.43 H new ATOM 0 HG2 GLU A 52 -7.260 1.373 -0.823 1.00 74.21 H new ATOM 0 HG3 GLU A 52 -6.694 1.770 -2.433 1.00 74.21 H new ATOM 815 N PRO A 53 -9.484 -1.572 -0.169 1.00 40.51 N ATOM 816 CA PRO A 53 -10.640 -2.347 0.290 1.00 54.31 C ATOM 817 C PRO A 53 -11.748 -2.410 -0.756 1.00 50.02 C ATOM 818 O PRO A 53 -11.763 -3.300 -1.605 1.00 71.03 O ATOM 819 CB PRO A 53 -11.115 -1.578 1.525 1.00 10.25 C ATOM 820 CG PRO A 53 -10.644 -0.182 1.307 1.00 44.41 C ATOM 821 CD PRO A 53 -9.348 -0.295 0.553 1.00 64.42 C ATOM 0 HA PRO A 53 -10.380 -3.386 0.492 1.00 54.31 H new ATOM 0 HB2 PRO A 53 -12.200 -1.619 1.624 1.00 10.25 H new ATOM 0 HB3 PRO A 53 -10.696 -1.999 2.439 1.00 10.25 H new ATOM 0 HG2 PRO A 53 -11.376 0.393 0.740 1.00 44.41 H new ATOM 0 HG3 PRO A 53 -10.499 0.334 2.256 1.00 44.41 H new ATOM 0 HD2 PRO A 53 -9.207 0.541 -0.132 1.00 64.42 H new ATOM 0 HD3 PRO A 53 -8.491 -0.303 1.226 1.00 64.42 H new ATOM 829 N GLY A 54 -12.675 -1.459 -0.689 1.00 4.31 N ATOM 830 CA GLY A 54 -13.773 -1.425 -1.636 1.00 53.15 C ATOM 831 C GLY A 54 -13.374 -0.814 -2.965 1.00 54.21 C ATOM 832 O GLY A 54 -13.900 0.227 -3.360 1.00 4.44 O ATOM 0 H GLY A 54 -12.685 -0.711 0.005 1.00 4.31 H new ATOM 0 HA2 GLY A 54 -14.138 -2.439 -1.801 1.00 53.15 H new ATOM 0 HA3 GLY A 54 -14.598 -0.854 -1.210 1.00 53.15 H new ATOM 836 N ARG A 55 -12.442 -1.461 -3.656 1.00 60.22 N ATOM 837 CA ARG A 55 -11.971 -0.973 -4.947 1.00 21.32 C ATOM 838 C ARG A 55 -11.906 -2.107 -5.966 1.00 20.21 C ATOM 839 O ARG A 55 -12.272 -1.933 -7.127 1.00 74.43 O ATOM 840 CB ARG A 55 -10.593 -0.326 -4.799 1.00 64.33 C ATOM 841 CG ARG A 55 -10.582 1.161 -5.110 1.00 43.43 C ATOM 842 CD ARG A 55 -11.619 1.910 -4.288 1.00 41.10 C ATOM 843 NE ARG A 55 -11.484 3.358 -4.424 1.00 22.14 N ATOM 844 CZ ARG A 55 -11.971 4.227 -3.545 1.00 21.00 C ATOM 845 NH1 ARG A 55 -12.621 3.797 -2.473 1.00 33.33 N ATOM 846 NH2 ARG A 55 -11.807 5.530 -3.738 1.00 34.42 N ATOM 0 H ARG A 55 -11.998 -2.324 -3.344 1.00 60.22 H new ATOM 0 HA ARG A 55 -12.679 -0.226 -5.306 1.00 21.32 H new ATOM 0 HB2 ARG A 55 -10.237 -0.478 -3.780 1.00 64.33 H new ATOM 0 HB3 ARG A 55 -9.890 -0.832 -5.461 1.00 64.33 H new ATOM 0 HG2 ARG A 55 -9.592 1.569 -4.907 1.00 43.43 H new ATOM 0 HG3 ARG A 55 -10.778 1.313 -6.171 1.00 43.43 H new ATOM 0 HD2 ARG A 55 -12.618 1.608 -4.603 1.00 41.10 H new ATOM 0 HD3 ARG A 55 -11.518 1.634 -3.238 1.00 41.10 H new ATOM 0 HE ARG A 55 -10.989 3.722 -5.238 1.00 22.14 H new ATOM 0 HH11 ARG A 55 -12.748 2.796 -2.321 1.00 33.33 H new ATOM 0 HH12 ARG A 55 -12.994 4.467 -1.800 1.00 33.33 H new ATOM 0 HH21 ARG A 55 -11.307 5.865 -4.562 1.00 34.42 H new ATOM 0 HH22 ARG A 55 -12.181 6.197 -3.063 1.00 34.42 H new ATOM 860 N GLY A 56 -11.436 -3.269 -5.522 1.00 30.11 N ATOM 861 CA GLY A 56 -11.331 -4.414 -6.408 1.00 2.15 C ATOM 862 C GLY A 56 -12.442 -5.422 -6.187 1.00 44.40 C ATOM 863 O GLY A 56 -12.886 -5.629 -5.059 1.00 15.41 O ATOM 0 H GLY A 56 -11.126 -3.438 -4.565 1.00 30.11 H new ATOM 0 HA2 GLY A 56 -11.355 -4.072 -7.443 1.00 2.15 H new ATOM 0 HA3 GLY A 56 -10.368 -4.900 -6.255 1.00 2.15 H new ATOM 867 N GLY A 57 -12.892 -6.050 -7.269 1.00 13.32 N ATOM 868 CA GLY A 57 -13.956 -7.032 -7.167 1.00 64.12 C ATOM 869 C GLY A 57 -13.685 -8.070 -6.096 1.00 73.22 C ATOM 870 O GLY A 57 -14.569 -8.403 -5.306 1.00 2.22 O ATOM 0 H GLY A 57 -12.539 -5.897 -8.214 1.00 13.32 H new ATOM 0 HA2 GLY A 57 -14.895 -6.524 -6.947 1.00 64.12 H new ATOM 0 HA3 GLY A 57 -14.080 -7.530 -8.129 1.00 64.12 H new ATOM 874 N LYS A 58 -12.461 -8.586 -6.070 1.00 10.22 N ATOM 875 CA LYS A 58 -12.075 -9.593 -5.089 1.00 14.04 C ATOM 876 C LYS A 58 -11.704 -8.944 -3.759 1.00 54.42 C ATOM 877 O LYS A 58 -11.571 -9.622 -2.742 1.00 31.04 O ATOM 878 CB LYS A 58 -10.898 -10.419 -5.611 1.00 22.00 C ATOM 879 CG LYS A 58 -9.541 -9.825 -5.274 1.00 52.22 C ATOM 880 CD LYS A 58 -8.778 -10.698 -4.292 1.00 13.31 C ATOM 881 CE LYS A 58 -8.131 -11.886 -4.988 1.00 14.54 C ATOM 882 NZ LYS A 58 -7.113 -12.547 -4.125 1.00 14.41 N ATOM 0 H LYS A 58 -11.718 -8.323 -6.718 1.00 10.22 H new ATOM 0 HA LYS A 58 -12.929 -10.251 -4.926 1.00 14.04 H new ATOM 0 HB2 LYS A 58 -10.958 -11.425 -5.195 1.00 22.00 H new ATOM 0 HB3 LYS A 58 -10.984 -10.516 -6.693 1.00 22.00 H new ATOM 0 HG2 LYS A 58 -8.957 -9.707 -6.187 1.00 52.22 H new ATOM 0 HG3 LYS A 58 -9.674 -8.830 -4.850 1.00 52.22 H new ATOM 0 HD2 LYS A 58 -8.011 -10.104 -3.795 1.00 13.31 H new ATOM 0 HD3 LYS A 58 -9.457 -11.054 -3.517 1.00 13.31 H new ATOM 0 HE2 LYS A 58 -8.899 -12.609 -5.262 1.00 14.54 H new ATOM 0 HE3 LYS A 58 -7.662 -11.553 -5.914 1.00 14.54 H new ATOM 0 HZ1 LYS A 58 -6.695 -13.351 -4.635 1.00 14.41 H new ATOM 0 HZ2 LYS A 58 -6.366 -11.864 -3.884 1.00 14.41 H new ATOM 0 HZ3 LYS A 58 -7.566 -12.887 -3.253 1.00 14.41 H new ATOM 896 N GLY A 59 -11.540 -7.624 -3.775 1.00 73.14 N ATOM 897 CA GLY A 59 -11.188 -6.905 -2.565 1.00 23.51 C ATOM 898 C GLY A 59 -9.996 -5.989 -2.761 1.00 33.21 C ATOM 899 O GLY A 59 -10.141 -4.797 -3.031 1.00 1.31 O ATOM 0 H GLY A 59 -11.645 -7.040 -4.605 1.00 73.14 H new ATOM 0 HA2 GLY A 59 -12.044 -6.317 -2.234 1.00 23.51 H new ATOM 0 HA3 GLY A 59 -10.967 -7.620 -1.773 1.00 23.51 H new ATOM 903 N PRO A 60 -8.785 -6.549 -2.622 1.00 52.13 N ATOM 904 CA PRO A 60 -7.540 -5.791 -2.780 1.00 72.45 C ATOM 905 C PRO A 60 -7.292 -5.379 -4.228 1.00 33.35 C ATOM 906 O PRO A 60 -7.061 -6.225 -5.092 1.00 13.35 O ATOM 907 CB PRO A 60 -6.465 -6.775 -2.313 1.00 3.02 C ATOM 908 CG PRO A 60 -7.061 -8.122 -2.535 1.00 30.04 C ATOM 909 CD PRO A 60 -8.538 -7.965 -2.301 1.00 11.50 C ATOM 0 HA PRO A 60 -7.557 -4.857 -2.218 1.00 72.45 H new ATOM 0 HB2 PRO A 60 -5.543 -6.652 -2.881 1.00 3.02 H new ATOM 0 HB3 PRO A 60 -6.216 -6.620 -1.263 1.00 3.02 H new ATOM 0 HG2 PRO A 60 -6.862 -8.475 -3.547 1.00 30.04 H new ATOM 0 HG3 PRO A 60 -6.633 -8.855 -1.851 1.00 30.04 H new ATOM 0 HD2 PRO A 60 -9.119 -8.629 -2.940 1.00 11.50 H new ATOM 0 HD3 PRO A 60 -8.809 -8.197 -1.271 1.00 11.50 H new ATOM 917 N GLN A 61 -7.342 -4.076 -4.484 1.00 25.13 N ATOM 918 CA GLN A 61 -7.122 -3.553 -5.827 1.00 72.20 C ATOM 919 C GLN A 61 -5.837 -2.735 -5.890 1.00 24.14 C ATOM 920 O GLN A 61 -5.283 -2.351 -4.860 1.00 13.23 O ATOM 921 CB GLN A 61 -8.310 -2.693 -6.263 1.00 22.24 C ATOM 922 CG GLN A 61 -8.723 -2.914 -7.709 1.00 32.34 C ATOM 923 CD GLN A 61 -9.669 -1.843 -8.216 1.00 23.24 C ATOM 924 OE1 GLN A 61 -9.653 -0.708 -7.738 1.00 33.53 O ATOM 925 NE2 GLN A 61 -10.499 -2.199 -9.189 1.00 41.42 N ATOM 0 H GLN A 61 -7.533 -3.363 -3.780 1.00 25.13 H new ATOM 0 HA GLN A 61 -7.025 -4.399 -6.507 1.00 72.20 H new ATOM 0 HB2 GLN A 61 -9.160 -2.906 -5.615 1.00 22.24 H new ATOM 0 HB3 GLN A 61 -8.058 -1.642 -6.122 1.00 22.24 H new ATOM 0 HG2 GLN A 61 -7.833 -2.935 -8.338 1.00 32.34 H new ATOM 0 HG3 GLN A 61 -9.201 -3.889 -7.801 1.00 32.34 H new ATOM 0 HE21 GLN A 61 -10.477 -3.151 -9.555 1.00 41.42 H new ATOM 0 HE22 GLN A 61 -11.158 -1.521 -9.571 1.00 41.42 H new ATOM 934 N ALA A 62 -5.367 -2.473 -7.105 1.00 4.33 N ATOM 935 CA ALA A 62 -4.147 -1.699 -7.301 1.00 52.23 C ATOM 936 C ALA A 62 -4.446 -0.204 -7.341 1.00 1.05 C ATOM 937 O ALA A 62 -4.108 0.482 -8.305 1.00 53.43 O ATOM 938 CB ALA A 62 -3.447 -2.133 -8.581 1.00 12.23 C ATOM 0 H ALA A 62 -5.812 -2.785 -7.968 1.00 4.33 H new ATOM 0 HA ALA A 62 -3.486 -1.889 -6.455 1.00 52.23 H new ATOM 0 HB1 ALA A 62 -2.538 -1.547 -8.715 1.00 12.23 H new ATOM 0 HB2 ALA A 62 -3.191 -3.190 -8.515 1.00 12.23 H new ATOM 0 HB3 ALA A 62 -4.110 -1.973 -9.431 1.00 12.23 H new ATOM 944 N LYS A 63 -5.082 0.295 -6.286 1.00 42.41 N ATOM 945 CA LYS A 63 -5.426 1.709 -6.199 1.00 12.53 C ATOM 946 C LYS A 63 -4.294 2.579 -6.736 1.00 54.43 C ATOM 947 O LYS A 63 -4.518 3.470 -7.556 1.00 42.41 O ATOM 948 CB LYS A 63 -5.733 2.092 -4.749 1.00 53.11 C ATOM 949 CG LYS A 63 -5.764 3.592 -4.509 1.00 64.42 C ATOM 950 CD LYS A 63 -6.725 4.289 -5.457 1.00 34.41 C ATOM 951 CE LYS A 63 -8.162 3.850 -5.216 1.00 24.50 C ATOM 952 NZ LYS A 63 -9.000 4.960 -4.685 1.00 44.23 N ATOM 0 H LYS A 63 -5.370 -0.259 -5.479 1.00 42.41 H new ATOM 0 HA LYS A 63 -6.313 1.879 -6.810 1.00 12.53 H new ATOM 0 HB2 LYS A 63 -6.696 1.667 -4.466 1.00 53.11 H new ATOM 0 HB3 LYS A 63 -4.983 1.644 -4.097 1.00 53.11 H new ATOM 0 HG2 LYS A 63 -6.060 3.790 -3.479 1.00 64.42 H new ATOM 0 HG3 LYS A 63 -4.763 4.003 -4.638 1.00 64.42 H new ATOM 0 HD2 LYS A 63 -6.647 5.368 -5.328 1.00 34.41 H new ATOM 0 HD3 LYS A 63 -6.444 4.070 -6.487 1.00 34.41 H new ATOM 0 HE2 LYS A 63 -8.591 3.485 -6.149 1.00 24.50 H new ATOM 0 HE3 LYS A 63 -8.174 3.017 -4.513 1.00 24.50 H new ATOM 0 HZ1 LYS A 63 -9.367 4.700 -3.747 1.00 44.23 H new ATOM 0 HZ2 LYS A 63 -8.424 5.822 -4.604 1.00 44.23 H new ATOM 0 HZ3 LYS A 63 -9.795 5.135 -5.332 1.00 44.23 H new ATOM 966 N LYS A 64 -3.078 2.314 -6.271 1.00 15.52 N ATOM 967 CA LYS A 64 -1.910 3.071 -6.706 1.00 74.34 C ATOM 968 C LYS A 64 -0.852 2.145 -7.296 1.00 63.45 C ATOM 969 O LYS A 64 -0.084 1.518 -6.566 1.00 43.32 O ATOM 970 CB LYS A 64 -1.319 3.856 -5.534 1.00 14.35 C ATOM 971 CG LYS A 64 -1.023 5.309 -5.862 1.00 42.25 C ATOM 972 CD LYS A 64 -2.300 6.119 -6.012 1.00 42.00 C ATOM 973 CE LYS A 64 -3.030 6.258 -4.685 1.00 51.21 C ATOM 974 NZ LYS A 64 -4.261 7.087 -4.814 1.00 24.04 N ATOM 0 H LYS A 64 -2.875 1.580 -5.592 1.00 15.52 H new ATOM 0 HA LYS A 64 -2.229 3.770 -7.479 1.00 74.34 H new ATOM 0 HB2 LYS A 64 -2.013 3.816 -4.694 1.00 14.35 H new ATOM 0 HB3 LYS A 64 -0.398 3.371 -5.210 1.00 14.35 H new ATOM 0 HG2 LYS A 64 -0.407 5.742 -5.074 1.00 42.25 H new ATOM 0 HG3 LYS A 64 -0.446 5.364 -6.785 1.00 42.25 H new ATOM 0 HD2 LYS A 64 -2.061 7.108 -6.403 1.00 42.00 H new ATOM 0 HD3 LYS A 64 -2.954 5.638 -6.740 1.00 42.00 H new ATOM 0 HE2 LYS A 64 -3.295 5.269 -4.311 1.00 51.21 H new ATOM 0 HE3 LYS A 64 -2.364 6.709 -3.949 1.00 51.21 H new ATOM 0 HZ1 LYS A 64 -4.730 7.158 -3.889 1.00 24.04 H new ATOM 0 HZ2 LYS A 64 -4.005 8.039 -5.147 1.00 24.04 H new ATOM 0 HZ3 LYS A 64 -4.908 6.644 -5.497 1.00 24.04 H new ATOM 988 N VAL A 65 -0.816 2.064 -8.623 1.00 23.42 N ATOM 989 CA VAL A 65 0.151 1.216 -9.311 1.00 13.10 C ATOM 990 C VAL A 65 1.311 2.039 -9.859 1.00 23.10 C ATOM 991 O VAL A 65 1.125 3.169 -10.311 1.00 63.34 O ATOM 992 CB VAL A 65 -0.506 0.441 -10.469 1.00 14.14 C ATOM 993 CG1 VAL A 65 0.255 0.670 -11.765 1.00 44.31 C ATOM 994 CG2 VAL A 65 -0.583 -1.042 -10.140 1.00 63.35 C ATOM 0 H VAL A 65 -1.445 2.575 -9.242 1.00 23.42 H new ATOM 0 HA VAL A 65 0.528 0.505 -8.576 1.00 13.10 H new ATOM 0 HB VAL A 65 -1.522 0.813 -10.603 1.00 14.14 H new ATOM 0 HG11 VAL A 65 -0.224 0.115 -12.571 1.00 44.31 H new ATOM 0 HG12 VAL A 65 0.253 1.733 -12.005 1.00 44.31 H new ATOM 0 HG13 VAL A 65 1.283 0.327 -11.649 1.00 44.31 H new ATOM 0 HG21 VAL A 65 -1.050 -1.575 -10.969 1.00 63.35 H new ATOM 0 HG22 VAL A 65 0.422 -1.431 -9.978 1.00 63.35 H new ATOM 0 HG23 VAL A 65 -1.177 -1.184 -9.237 1.00 63.35 H new ATOM 1004 N ARG A 66 2.509 1.465 -9.816 1.00 20.35 N ATOM 1005 CA ARG A 66 3.701 2.145 -10.307 1.00 51.41 C ATOM 1006 C ARG A 66 4.518 1.227 -11.211 1.00 73.41 C ATOM 1007 O ARG A 66 4.458 0.003 -11.086 1.00 40.31 O ATOM 1008 CB ARG A 66 4.561 2.623 -9.136 1.00 24.42 C ATOM 1009 CG ARG A 66 3.760 3.257 -8.010 1.00 64.24 C ATOM 1010 CD ARG A 66 4.669 3.883 -6.964 1.00 21.41 C ATOM 1011 NE ARG A 66 5.053 5.247 -7.317 1.00 72.34 N ATOM 1012 CZ ARG A 66 5.826 6.013 -6.557 1.00 3.05 C ATOM 1013 NH1 ARG A 66 6.296 5.551 -5.406 1.00 44.21 N ATOM 1014 NH2 ARG A 66 6.131 7.244 -6.946 1.00 44.24 N ATOM 0 H ARG A 66 2.680 0.530 -9.446 1.00 20.35 H new ATOM 0 HA ARG A 66 3.381 3.009 -10.890 1.00 51.41 H new ATOM 0 HB2 ARG A 66 5.122 1.777 -8.739 1.00 24.42 H new ATOM 0 HB3 ARG A 66 5.290 3.345 -9.503 1.00 24.42 H new ATOM 0 HG2 ARG A 66 3.095 4.018 -8.419 1.00 64.24 H new ATOM 0 HG3 ARG A 66 3.129 2.502 -7.541 1.00 64.24 H new ATOM 0 HD2 ARG A 66 4.162 3.888 -5.999 1.00 21.41 H new ATOM 0 HD3 ARG A 66 5.565 3.272 -6.850 1.00 21.41 H new ATOM 0 HE ARG A 66 4.708 5.632 -8.196 1.00 72.34 H new ATOM 0 HH11 ARG A 66 6.064 4.605 -5.103 1.00 44.21 H new ATOM 0 HH12 ARG A 66 6.890 6.142 -4.824 1.00 44.21 H new ATOM 0 HH21 ARG A 66 5.771 7.603 -7.830 1.00 44.24 H new ATOM 0 HH22 ARG A 66 6.725 7.831 -6.361 1.00 44.24 H new ATOM 1028 N ARG A 67 5.279 1.825 -12.121 1.00 63.11 N ATOM 1029 CA ARG A 67 6.107 1.061 -13.047 1.00 75.30 C ATOM 1030 C ARG A 67 7.508 0.853 -12.480 1.00 11.41 C ATOM 1031 O ARG A 67 8.138 1.795 -11.997 1.00 20.42 O ATOM 1032 CB ARG A 67 6.192 1.775 -14.397 1.00 54.11 C ATOM 1033 CG ARG A 67 6.792 0.920 -15.502 1.00 14.54 C ATOM 1034 CD ARG A 67 7.117 1.750 -16.734 1.00 12.34 C ATOM 1035 NE ARG A 67 5.953 2.486 -17.221 1.00 70.52 N ATOM 1036 CZ ARG A 67 5.875 3.017 -18.436 1.00 65.12 C ATOM 1037 NH1 ARG A 67 6.889 2.895 -19.283 1.00 33.24 N ATOM 1038 NH2 ARG A 67 4.782 3.672 -18.807 1.00 25.42 N ATOM 0 H ARG A 67 5.340 2.837 -12.237 1.00 63.11 H new ATOM 0 HA ARG A 67 5.643 0.085 -13.189 1.00 75.30 H new ATOM 0 HB2 ARG A 67 5.192 2.090 -14.695 1.00 54.11 H new ATOM 0 HB3 ARG A 67 6.790 2.679 -14.283 1.00 54.11 H new ATOM 0 HG2 ARG A 67 7.699 0.437 -15.138 1.00 14.54 H new ATOM 0 HG3 ARG A 67 6.094 0.127 -15.770 1.00 14.54 H new ATOM 0 HD2 ARG A 67 7.917 2.452 -16.498 1.00 12.34 H new ATOM 0 HD3 ARG A 67 7.489 1.097 -17.523 1.00 12.34 H new ATOM 0 HE ARG A 67 5.157 2.598 -16.594 1.00 70.52 H new ATOM 0 HH11 ARG A 67 7.731 2.393 -19.002 1.00 33.24 H new ATOM 0 HH12 ARG A 67 6.827 3.304 -20.215 1.00 33.24 H new ATOM 0 HH21 ARG A 67 4.000 3.768 -18.159 1.00 25.42 H new ATOM 0 HH22 ARG A 67 4.724 4.079 -19.740 1.00 25.42 H new ATOM 1052 N ILE A 68 7.989 -0.384 -12.542 1.00 15.20 N ATOM 1053 CA ILE A 68 9.315 -0.714 -12.035 1.00 52.24 C ATOM 1054 C ILE A 68 10.039 -1.673 -12.974 1.00 34.42 C ATOM 1055 O ILE A 68 9.927 -2.892 -12.840 1.00 22.12 O ATOM 1056 CB ILE A 68 9.241 -1.344 -10.632 1.00 74.11 C ATOM 1057 CG1 ILE A 68 8.563 -0.383 -9.653 1.00 23.33 C ATOM 1058 CG2 ILE A 68 10.633 -1.713 -10.143 1.00 22.10 C ATOM 1059 CD1 ILE A 68 9.539 0.403 -8.805 1.00 50.15 C ATOM 0 H ILE A 68 7.480 -1.174 -12.938 1.00 15.20 H new ATOM 0 HA ILE A 68 9.872 0.221 -11.975 1.00 52.24 H new ATOM 0 HB ILE A 68 8.645 -2.255 -10.689 1.00 74.11 H new ATOM 0 HG12 ILE A 68 7.938 0.313 -10.213 1.00 23.33 H new ATOM 0 HG13 ILE A 68 7.901 -0.950 -8.999 1.00 23.33 H new ATOM 0 HG21 ILE A 68 10.564 -2.157 -9.150 1.00 22.10 H new ATOM 0 HG22 ILE A 68 11.082 -2.430 -10.831 1.00 22.10 H new ATOM 0 HG23 ILE A 68 11.252 -0.817 -10.097 1.00 22.10 H new ATOM 0 HD11 ILE A 68 8.989 1.063 -8.135 1.00 50.15 H new ATOM 0 HD12 ILE A 68 10.147 -0.285 -8.218 1.00 50.15 H new ATOM 0 HD13 ILE A 68 10.185 0.998 -9.451 1.00 50.15 H new