USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 620 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 151:sc= -1.02 (180deg=-1.73!) USER MOD Single : A 1 MET N :NH3+ 140:sc= 1.14 (180deg=-0.986) USER MOD Single : A 3 ASN : amide:sc= -0.221 K(o=-0.22,f=-2.9!) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.832 F(o=-2.9!,f=-0.83) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc=-0.00969 X(o=-0.0097,f=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.520 -34.058 1.144 1.00 0.00 N ATOM 2 CA MET A 1 -5.382 -33.213 1.460 1.00 0.00 C ATOM 3 C MET A 1 -5.798 -31.743 1.549 1.00 0.00 C ATOM 4 O MET A 1 -5.873 -31.053 0.533 1.00 0.00 O ATOM 5 CB MET A 1 -4.309 -33.376 0.382 1.00 0.00 C ATOM 6 CG MET A 1 -3.641 -34.749 0.476 1.00 0.00 C ATOM 7 SD MET A 1 -4.565 -35.944 -0.476 1.00 0.00 S ATOM 8 CE MET A 1 -5.043 -37.072 0.823 1.00 0.00 C ATOM 0 H1 MET A 1 -6.229 -34.794 0.470 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.872 -34.505 2.014 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.275 -33.480 0.722 1.00 0.00 H new ATOM 0 HA MET A 1 -4.985 -33.518 2.428 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.757 -33.253 -0.604 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.558 -32.594 0.491 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.617 -34.691 0.106 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.586 -35.065 1.518 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.987 -37.550 0.561 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.273 -37.833 0.946 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.162 -36.522 1.757 1.00 0.00 H new ATOM 18 N GLU A 2 -6.058 -31.307 2.772 1.00 0.00 N ATOM 19 CA GLU A 2 -6.465 -29.932 3.006 1.00 0.00 C ATOM 20 C GLU A 2 -5.296 -29.120 3.566 1.00 0.00 C ATOM 21 O GLU A 2 -5.376 -27.897 3.667 1.00 0.00 O ATOM 22 CB GLU A 2 -7.675 -29.869 3.941 1.00 0.00 C ATOM 23 CG GLU A 2 -8.981 -29.852 3.148 1.00 0.00 C ATOM 24 CD GLU A 2 -10.171 -29.538 4.056 1.00 0.00 C ATOM 25 OE1 GLU A 2 -10.304 -30.136 5.134 1.00 0.00 O ATOM 26 OE2 GLU A 2 -10.975 -28.633 3.609 1.00 0.00 O ATOM 0 H GLU A 2 -5.995 -31.882 3.612 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.762 -29.495 2.053 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.665 -30.727 4.613 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.612 -28.976 4.563 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.919 -29.108 2.354 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -9.131 -30.819 2.667 1.00 0.00 H new ATOM 34 N ASN A 3 -4.235 -29.834 3.916 1.00 0.00 N ATOM 35 CA ASN A 3 -3.050 -29.195 4.463 1.00 0.00 C ATOM 36 C ASN A 3 -1.802 -29.846 3.864 1.00 0.00 C ATOM 37 O ASN A 3 -0.726 -29.797 4.458 1.00 0.00 O ATOM 38 CB ASN A 3 -2.988 -29.362 5.983 1.00 0.00 C ATOM 39 CG ASN A 3 -4.237 -28.785 6.651 1.00 0.00 C ATOM 40 OD1 ASN A 3 -4.580 -27.626 6.489 1.00 0.00 O ATOM 41 ND2 ASN A 3 -4.897 -29.657 7.407 1.00 0.00 N ATOM 0 H ASN A 3 -4.172 -30.849 3.831 1.00 0.00 H new ATOM 0 HA ASN A 3 -3.095 -28.134 4.218 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -2.894 -30.419 6.232 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -2.100 -28.862 6.371 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -5.746 -29.370 7.894 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -4.555 -30.613 7.500 1.00 0.00 H new ATOM 48 N LEU A 4 -1.987 -30.439 2.694 1.00 0.00 N ATOM 49 CA LEU A 4 -0.890 -31.100 2.008 1.00 0.00 C ATOM 50 C LEU A 4 -0.676 -30.439 0.644 1.00 0.00 C ATOM 51 O LEU A 4 0.456 -30.141 0.266 1.00 0.00 O ATOM 52 CB LEU A 4 -1.137 -32.607 1.929 1.00 0.00 C ATOM 53 CG LEU A 4 0.061 -33.501 2.260 1.00 0.00 C ATOM 54 CD1 LEU A 4 1.277 -33.126 1.411 1.00 0.00 C ATOM 55 CD2 LEU A 4 0.373 -33.466 3.757 1.00 0.00 C ATOM 0 H LEU A 4 -2.881 -30.476 2.203 1.00 0.00 H new ATOM 0 HA LEU A 4 0.037 -30.982 2.569 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.951 -32.858 2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.477 -32.847 0.922 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.200 -34.529 2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.114 -33.776 1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.034 -33.245 0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.551 -32.089 1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.228 -34.109 3.966 1.00 0.00 H new ATOM 0 HD22 LEU A 4 0.606 -32.444 4.056 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.492 -33.820 4.317 1.00 0.00 H new ATOM 67 N ASN A 5 -1.781 -30.231 -0.056 1.00 0.00 N ATOM 68 CA ASN A 5 -1.729 -29.611 -1.369 1.00 0.00 C ATOM 69 C ASN A 5 -2.411 -28.243 -1.311 1.00 0.00 C ATOM 70 O ASN A 5 -1.902 -27.267 -1.860 1.00 0.00 O ATOM 71 CB ASN A 5 -2.462 -30.461 -2.410 1.00 0.00 C ATOM 72 CG ASN A 5 -1.486 -31.028 -3.443 1.00 0.00 C ATOM 73 OD1 ASN A 5 -0.837 -32.039 -3.232 1.00 0.00 O ATOM 74 ND2 ASN A 5 -1.418 -30.320 -4.566 1.00 0.00 N ATOM 0 H ASN A 5 -2.718 -30.481 0.261 1.00 0.00 H new ATOM 0 HA ASN A 5 -0.681 -29.515 -1.654 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.986 -31.278 -1.914 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.217 -29.856 -2.912 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -0.794 -30.614 -5.317 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -1.990 -29.483 -4.676 1.00 0.00 H new ATOM 81 N MET A 6 -3.554 -28.215 -0.641 1.00 0.00 N ATOM 82 CA MET A 6 -4.311 -26.983 -0.503 1.00 0.00 C ATOM 83 C MET A 6 -3.404 -25.827 -0.076 1.00 0.00 C ATOM 84 O MET A 6 -3.413 -24.765 -0.696 1.00 0.00 O ATOM 85 CB MET A 6 -5.416 -27.176 0.537 1.00 0.00 C ATOM 86 CG MET A 6 -6.658 -27.809 -0.094 1.00 0.00 C ATOM 87 SD MET A 6 -8.133 -27.138 0.655 1.00 0.00 S ATOM 88 CE MET A 6 -9.025 -26.637 -0.808 1.00 0.00 C ATOM 0 H MET A 6 -3.974 -29.026 -0.188 1.00 0.00 H new ATOM 0 HA MET A 6 -4.749 -26.738 -1.470 1.00 0.00 H new ATOM 0 HB2 MET A 6 -5.052 -27.809 1.346 1.00 0.00 H new ATOM 0 HB3 MET A 6 -5.678 -26.214 0.978 1.00 0.00 H new ATOM 0 HG2 MET A 6 -6.667 -27.620 -1.167 1.00 0.00 H new ATOM 0 HG3 MET A 6 -6.632 -28.891 0.039 1.00 0.00 H new ATOM 0 HE1 MET A 6 -9.978 -26.194 -0.519 1.00 0.00 H new ATOM 0 HE2 MET A 6 -8.436 -25.904 -1.360 1.00 0.00 H new ATOM 0 HE3 MET A 6 -9.206 -27.507 -1.439 1.00 0.00 H new ATOM 98 N ASP A 7 -2.644 -26.073 0.981 1.00 0.00 N ATOM 99 CA ASP A 7 -1.733 -25.066 1.497 1.00 0.00 C ATOM 100 C ASP A 7 -0.878 -24.520 0.352 1.00 0.00 C ATOM 101 O ASP A 7 -0.737 -23.308 0.200 1.00 0.00 O ATOM 102 CB ASP A 7 -0.793 -25.660 2.547 1.00 0.00 C ATOM 103 CG ASP A 7 0.508 -24.884 2.764 1.00 0.00 C ATOM 104 OD1 ASP A 7 1.530 -25.155 2.115 1.00 0.00 O ATOM 105 OD2 ASP A 7 0.445 -23.955 3.657 1.00 0.00 O ATOM 0 H ASP A 7 -2.641 -26.955 1.494 1.00 0.00 H new ATOM 0 HA ASP A 7 -2.329 -24.275 1.952 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.325 -25.720 3.496 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -0.545 -26.681 2.255 1.00 0.00 H new ATOM 111 N LEU A 8 -0.331 -25.443 -0.425 1.00 0.00 N ATOM 112 CA LEU A 8 0.506 -25.070 -1.554 1.00 0.00 C ATOM 113 C LEU A 8 -0.257 -24.089 -2.447 1.00 0.00 C ATOM 114 O LEU A 8 0.238 -23.003 -2.747 1.00 0.00 O ATOM 115 CB LEU A 8 1.001 -26.317 -2.290 1.00 0.00 C ATOM 116 CG LEU A 8 2.224 -26.124 -3.189 1.00 0.00 C ATOM 117 CD1 LEU A 8 3.381 -27.018 -2.738 1.00 0.00 C ATOM 118 CD2 LEU A 8 1.865 -26.348 -4.659 1.00 0.00 C ATOM 0 H LEU A 8 -0.451 -26.448 -0.296 1.00 0.00 H new ATOM 0 HA LEU A 8 1.403 -24.556 -1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.236 -27.082 -1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.184 -26.703 -2.900 1.00 0.00 H new ATOM 0 HG LEU A 8 2.559 -25.091 -3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.238 -26.862 -3.393 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.657 -26.767 -1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.073 -28.063 -2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.752 -26.205 -5.276 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.491 -27.363 -4.792 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.096 -25.636 -4.958 1.00 0.00 H new ATOM 130 N LEU A 9 -1.448 -24.508 -2.847 1.00 0.00 N ATOM 131 CA LEU A 9 -2.284 -23.681 -3.701 1.00 0.00 C ATOM 132 C LEU A 9 -2.421 -22.290 -3.079 1.00 0.00 C ATOM 133 O LEU A 9 -2.186 -21.283 -3.745 1.00 0.00 O ATOM 134 CB LEU A 9 -3.624 -24.369 -3.968 1.00 0.00 C ATOM 135 CG LEU A 9 -4.269 -24.077 -5.324 1.00 0.00 C ATOM 136 CD1 LEU A 9 -3.991 -25.207 -6.318 1.00 0.00 C ATOM 137 CD2 LEU A 9 -5.766 -23.804 -5.172 1.00 0.00 C ATOM 0 H LEU A 9 -1.854 -25.409 -2.596 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.819 -23.550 -4.678 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.481 -25.446 -3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.323 -24.076 -3.185 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.816 -23.172 -5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.461 -24.975 -7.274 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.915 -25.312 -6.458 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.399 -26.141 -5.931 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.200 -23.599 -6.151 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.252 -24.676 -4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.914 -22.942 -4.522 1.00 0.00 H new ATOM 149 N TYR A 10 -2.799 -22.278 -1.810 1.00 0.00 N ATOM 150 CA TYR A 10 -2.968 -21.027 -1.090 1.00 0.00 C ATOM 151 C TYR A 10 -1.721 -20.150 -1.211 1.00 0.00 C ATOM 152 O TYR A 10 -1.816 -18.972 -1.552 1.00 0.00 O ATOM 153 CB TYR A 10 -3.170 -21.408 0.378 1.00 0.00 C ATOM 154 CG TYR A 10 -4.637 -21.489 0.805 1.00 0.00 C ATOM 155 CD1 TYR A 10 -5.595 -21.907 -0.096 1.00 0.00 C ATOM 156 CD2 TYR A 10 -5.001 -21.143 2.090 1.00 0.00 C ATOM 157 CE1 TYR A 10 -6.976 -21.983 0.307 1.00 0.00 C ATOM 158 CE2 TYR A 10 -6.381 -21.218 2.492 1.00 0.00 C ATOM 159 CZ TYR A 10 -7.301 -21.635 1.581 1.00 0.00 C ATOM 160 OH TYR A 10 -8.606 -21.707 1.960 1.00 0.00 O ATOM 0 H TYR A 10 -2.993 -23.115 -1.261 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.809 -20.463 -1.495 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.696 -22.372 0.561 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.660 -20.677 1.006 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.310 -22.177 -1.102 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.250 -20.816 2.794 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.736 -22.309 -0.387 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.679 -20.949 3.495 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.691 -21.430 2.896 1.00 0.00 H new ATOM 170 N MET A 11 -0.580 -20.760 -0.926 1.00 0.00 N ATOM 171 CA MET A 11 0.686 -20.050 -0.998 1.00 0.00 C ATOM 172 C MET A 11 0.783 -19.230 -2.287 1.00 0.00 C ATOM 173 O MET A 11 1.060 -18.033 -2.246 1.00 0.00 O ATOM 174 CB MET A 11 1.839 -21.054 -0.944 1.00 0.00 C ATOM 175 CG MET A 11 3.163 -20.353 -0.634 1.00 0.00 C ATOM 176 SD MET A 11 4.402 -21.558 -0.186 1.00 0.00 S ATOM 177 CE MET A 11 5.855 -20.523 -0.183 1.00 0.00 C ATOM 0 H MET A 11 -0.506 -21.738 -0.645 1.00 0.00 H new ATOM 0 HA MET A 11 0.747 -19.368 -0.150 1.00 0.00 H new ATOM 0 HB2 MET A 11 1.635 -21.807 -0.182 1.00 0.00 H new ATOM 0 HB3 MET A 11 1.915 -21.577 -1.897 1.00 0.00 H new ATOM 0 HG2 MET A 11 3.495 -19.784 -1.502 1.00 0.00 H new ATOM 0 HG3 MET A 11 3.025 -19.641 0.180 1.00 0.00 H new ATOM 0 HE1 MET A 11 6.727 -21.121 0.079 1.00 0.00 H new ATOM 0 HE2 MET A 11 5.996 -20.091 -1.174 1.00 0.00 H new ATOM 0 HE3 MET A 11 5.731 -19.724 0.547 1.00 0.00 H new ATOM 187 N ALA A 12 0.547 -19.909 -3.401 1.00 0.00 N ATOM 188 CA ALA A 12 0.604 -19.258 -4.699 1.00 0.00 C ATOM 189 C ALA A 12 -0.455 -18.156 -4.758 1.00 0.00 C ATOM 190 O ALA A 12 -0.321 -17.203 -5.524 1.00 0.00 O ATOM 191 CB ALA A 12 0.421 -20.303 -5.801 1.00 0.00 C ATOM 0 H ALA A 12 0.316 -20.902 -3.431 1.00 0.00 H new ATOM 0 HA ALA A 12 1.576 -18.789 -4.852 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.464 -19.816 -6.775 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.215 -21.047 -5.732 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.546 -20.792 -5.682 1.00 0.00 H new ATOM 197 N ALA A 13 -1.485 -18.323 -3.941 1.00 0.00 N ATOM 198 CA ALA A 13 -2.566 -17.354 -3.892 1.00 0.00 C ATOM 199 C ALA A 13 -2.104 -16.120 -3.113 1.00 0.00 C ATOM 200 O ALA A 13 -1.870 -15.064 -3.699 1.00 0.00 O ATOM 201 CB ALA A 13 -3.806 -18.003 -3.274 1.00 0.00 C ATOM 0 H ALA A 13 -1.593 -19.115 -3.308 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.835 -17.028 -4.897 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.617 -17.276 -3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.111 -18.856 -3.880 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.575 -18.340 -2.264 1.00 0.00 H new ATOM 207 N ALA A 14 -1.987 -16.295 -1.805 1.00 0.00 N ATOM 208 CA ALA A 14 -1.558 -15.209 -0.940 1.00 0.00 C ATOM 209 C ALA A 14 -0.336 -14.526 -1.557 1.00 0.00 C ATOM 210 O ALA A 14 -0.333 -13.311 -1.753 1.00 0.00 O ATOM 211 CB ALA A 14 -1.277 -15.753 0.461 1.00 0.00 C ATOM 0 H ALA A 14 -2.182 -17.173 -1.323 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.343 -14.459 -0.846 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.955 -14.938 1.110 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.184 -16.202 0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.491 -16.507 0.408 1.00 0.00 H new ATOM 217 N VAL A 15 0.673 -15.335 -1.843 1.00 0.00 N ATOM 218 CA VAL A 15 1.898 -14.824 -2.432 1.00 0.00 C ATOM 219 C VAL A 15 1.551 -13.905 -3.606 1.00 0.00 C ATOM 220 O VAL A 15 2.074 -12.797 -3.708 1.00 0.00 O ATOM 221 CB VAL A 15 2.811 -15.985 -2.832 1.00 0.00 C ATOM 222 CG1 VAL A 15 4.023 -15.483 -3.620 1.00 0.00 C ATOM 223 CG2 VAL A 15 3.250 -16.785 -1.604 1.00 0.00 C ATOM 0 H VAL A 15 0.667 -16.341 -1.678 1.00 0.00 H new ATOM 0 HA VAL A 15 2.451 -14.229 -1.705 1.00 0.00 H new ATOM 0 HB VAL A 15 2.242 -16.651 -3.480 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.656 -16.328 -3.892 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.685 -14.977 -4.524 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.593 -14.786 -3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.898 -17.604 -1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.793 -16.133 -0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.372 -17.189 -1.100 1.00 0.00 H new ATOM 233 N MET A 16 0.670 -14.401 -4.462 1.00 0.00 N ATOM 234 CA MET A 16 0.245 -13.640 -5.625 1.00 0.00 C ATOM 235 C MET A 16 -0.394 -12.314 -5.208 1.00 0.00 C ATOM 236 O MET A 16 0.041 -11.247 -5.641 1.00 0.00 O ATOM 237 CB MET A 16 -0.761 -14.460 -6.433 1.00 0.00 C ATOM 238 CG MET A 16 -0.081 -15.145 -7.621 1.00 0.00 C ATOM 239 SD MET A 16 -1.132 -16.437 -8.263 1.00 0.00 S ATOM 240 CE MET A 16 -1.895 -15.569 -9.623 1.00 0.00 C ATOM 0 H MET A 16 0.238 -15.321 -4.374 1.00 0.00 H new ATOM 0 HA MET A 16 1.122 -13.424 -6.235 1.00 0.00 H new ATOM 0 HB2 MET A 16 -1.223 -15.210 -5.791 1.00 0.00 H new ATOM 0 HB3 MET A 16 -1.560 -13.811 -6.791 1.00 0.00 H new ATOM 0 HG2 MET A 16 0.129 -14.414 -8.402 1.00 0.00 H new ATOM 0 HG3 MET A 16 0.876 -15.564 -7.311 1.00 0.00 H new ATOM 0 HE1 MET A 16 -2.587 -16.235 -10.137 1.00 0.00 H new ATOM 0 HE2 MET A 16 -2.439 -14.704 -9.243 1.00 0.00 H new ATOM 0 HE3 MET A 16 -1.126 -15.237 -10.320 1.00 0.00 H new ATOM 250 N MET A 17 -1.416 -12.424 -4.372 1.00 0.00 N ATOM 251 CA MET A 17 -2.120 -11.247 -3.891 1.00 0.00 C ATOM 252 C MET A 17 -1.143 -10.220 -3.317 1.00 0.00 C ATOM 253 O MET A 17 -1.341 -9.016 -3.470 1.00 0.00 O ATOM 254 CB MET A 17 -3.124 -11.657 -2.812 1.00 0.00 C ATOM 255 CG MET A 17 -4.172 -12.619 -3.375 1.00 0.00 C ATOM 256 SD MET A 17 -5.431 -12.935 -2.150 1.00 0.00 S ATOM 257 CE MET A 17 -6.806 -12.068 -2.888 1.00 0.00 C ATOM 0 H MET A 17 -1.774 -13.310 -4.015 1.00 0.00 H new ATOM 0 HA MET A 17 -2.644 -10.791 -4.732 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.599 -12.131 -1.983 1.00 0.00 H new ATOM 0 HB3 MET A 17 -3.616 -10.770 -2.413 1.00 0.00 H new ATOM 0 HG2 MET A 17 -4.624 -12.194 -4.271 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.697 -13.555 -3.670 1.00 0.00 H new ATOM 0 HE1 MET A 17 -7.683 -12.164 -2.247 1.00 0.00 H new ATOM 0 HE2 MET A 17 -6.553 -11.014 -3.001 1.00 0.00 H new ATOM 0 HE3 MET A 17 -7.023 -12.496 -3.867 1.00 0.00 H new ATOM 267 N GLY A 18 -0.109 -10.734 -2.667 1.00 0.00 N ATOM 268 CA GLY A 18 0.900 -9.876 -2.068 1.00 0.00 C ATOM 269 C GLY A 18 1.684 -9.119 -3.142 1.00 0.00 C ATOM 270 O GLY A 18 1.488 -7.919 -3.326 1.00 0.00 O ATOM 0 H GLY A 18 0.052 -11.733 -2.542 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.424 -9.166 -1.392 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.584 -10.477 -1.469 1.00 0.00 H new ATOM 274 N LEU A 19 2.553 -9.851 -3.822 1.00 0.00 N ATOM 275 CA LEU A 19 3.367 -9.263 -4.873 1.00 0.00 C ATOM 276 C LEU A 19 2.519 -8.274 -5.674 1.00 0.00 C ATOM 277 O LEU A 19 2.898 -7.113 -5.833 1.00 0.00 O ATOM 278 CB LEU A 19 4.009 -10.357 -5.728 1.00 0.00 C ATOM 279 CG LEU A 19 3.097 -11.522 -6.123 1.00 0.00 C ATOM 280 CD1 LEU A 19 2.607 -11.370 -7.564 1.00 0.00 C ATOM 281 CD2 LEU A 19 3.794 -12.864 -5.892 1.00 0.00 C ATOM 0 H LEU A 19 2.712 -10.846 -3.666 1.00 0.00 H new ATOM 0 HA LEU A 19 4.195 -8.699 -4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.395 -9.899 -6.639 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.865 -10.759 -5.186 1.00 0.00 H new ATOM 0 HG LEU A 19 2.217 -11.501 -5.481 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.961 -12.210 -7.819 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.048 -10.440 -7.662 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.463 -11.352 -8.239 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.126 -13.675 -6.180 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.702 -12.911 -6.493 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.052 -12.963 -4.838 1.00 0.00 H new ATOM 293 N ALA A 20 1.389 -8.767 -6.157 1.00 0.00 N ATOM 294 CA ALA A 20 0.485 -7.940 -6.939 1.00 0.00 C ATOM 295 C ALA A 20 0.178 -6.656 -6.165 1.00 0.00 C ATOM 296 O ALA A 20 0.389 -5.555 -6.673 1.00 0.00 O ATOM 297 CB ALA A 20 -0.779 -8.737 -7.270 1.00 0.00 C ATOM 0 H ALA A 20 1.078 -9.729 -6.022 1.00 0.00 H new ATOM 0 HA ALA A 20 0.947 -7.654 -7.884 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.457 -8.117 -7.856 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.510 -9.624 -7.844 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.271 -9.039 -6.346 1.00 0.00 H new ATOM 303 N ALA A 21 -0.314 -6.839 -4.949 1.00 0.00 N ATOM 304 CA ALA A 21 -0.652 -5.710 -4.101 1.00 0.00 C ATOM 305 C ALA A 21 0.531 -4.740 -4.055 1.00 0.00 C ATOM 306 O ALA A 21 0.416 -3.594 -4.487 1.00 0.00 O ATOM 307 CB ALA A 21 -1.046 -6.213 -2.711 1.00 0.00 C ATOM 0 H ALA A 21 -0.487 -7.753 -4.531 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.507 -5.170 -4.506 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.299 -5.365 -2.075 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.908 -6.874 -2.794 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.211 -6.759 -2.271 1.00 0.00 H new ATOM 313 N ILE A 22 1.641 -5.235 -3.527 1.00 0.00 N ATOM 314 CA ILE A 22 2.844 -4.427 -3.419 1.00 0.00 C ATOM 315 C ILE A 22 3.045 -3.644 -4.718 1.00 0.00 C ATOM 316 O ILE A 22 3.336 -2.449 -4.688 1.00 0.00 O ATOM 317 CB ILE A 22 4.041 -5.298 -3.035 1.00 0.00 C ATOM 318 CG1 ILE A 22 3.881 -5.855 -1.619 1.00 0.00 C ATOM 319 CG2 ILE A 22 5.354 -4.530 -3.203 1.00 0.00 C ATOM 320 CD1 ILE A 22 4.608 -7.194 -1.472 1.00 0.00 C ATOM 0 H ILE A 22 1.732 -6.186 -3.169 1.00 0.00 H new ATOM 0 HA ILE A 22 2.741 -3.695 -2.618 1.00 0.00 H new ATOM 0 HB ILE A 22 4.076 -6.149 -3.715 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.276 -5.141 -0.896 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.823 -5.985 -1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.189 -5.172 -2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.465 -4.222 -4.243 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.344 -3.648 -2.563 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.479 -7.569 -0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.194 -7.913 -2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.670 -7.056 -1.675 1.00 0.00 H new ATOM 332 N GLY A 23 2.881 -4.349 -5.829 1.00 0.00 N ATOM 333 CA GLY A 23 3.042 -3.735 -7.136 1.00 0.00 C ATOM 334 C GLY A 23 2.232 -2.439 -7.235 1.00 0.00 C ATOM 335 O GLY A 23 2.800 -1.360 -7.392 1.00 0.00 O ATOM 0 H GLY A 23 2.638 -5.339 -5.850 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.096 -3.524 -7.316 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.719 -4.430 -7.911 1.00 0.00 H new ATOM 339 N ASP A 24 0.919 -2.590 -7.141 1.00 0.00 N ATOM 340 CA ASP A 24 0.026 -1.447 -7.218 1.00 0.00 C ATOM 341 C ASP A 24 0.375 -0.458 -6.105 1.00 0.00 C ATOM 342 O ASP A 24 0.736 0.687 -6.376 1.00 0.00 O ATOM 343 CB ASP A 24 -1.431 -1.872 -7.036 1.00 0.00 C ATOM 344 CG ASP A 24 -2.461 -0.954 -7.698 1.00 0.00 C ATOM 345 OD1 ASP A 24 -2.572 -0.905 -8.932 1.00 0.00 O ATOM 346 OD2 ASP A 24 -3.179 -0.261 -6.880 1.00 0.00 O ATOM 0 H ASP A 24 0.452 -3.488 -7.012 1.00 0.00 H new ATOM 0 HA ASP A 24 0.146 -0.990 -8.200 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.553 -2.878 -7.437 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.647 -1.926 -5.969 1.00 0.00 H new ATOM 352 N ALA A 25 0.253 -0.935 -4.874 1.00 0.00 N ATOM 353 CA ALA A 25 0.550 -0.106 -3.718 1.00 0.00 C ATOM 354 C ALA A 25 1.810 0.718 -3.996 1.00 0.00 C ATOM 355 O ALA A 25 1.964 1.817 -3.467 1.00 0.00 O ATOM 356 CB ALA A 25 0.694 -0.992 -2.478 1.00 0.00 C ATOM 0 H ALA A 25 -0.047 -1.884 -4.653 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.265 0.592 -3.527 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.917 -0.371 -1.611 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.237 -1.533 -2.307 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.505 -1.704 -2.632 1.00 0.00 H new ATOM 362 N ILE A 26 2.675 0.154 -4.824 1.00 0.00 N ATOM 363 CA ILE A 26 3.916 0.822 -5.179 1.00 0.00 C ATOM 364 C ILE A 26 3.625 1.911 -6.214 1.00 0.00 C ATOM 365 O ILE A 26 4.022 3.062 -6.037 1.00 0.00 O ATOM 366 CB ILE A 26 4.962 -0.197 -5.634 1.00 0.00 C ATOM 367 CG1 ILE A 26 5.843 -0.638 -4.464 1.00 0.00 C ATOM 368 CG2 ILE A 26 5.789 0.350 -6.800 1.00 0.00 C ATOM 369 CD1 ILE A 26 7.251 -0.998 -4.944 1.00 0.00 C ATOM 0 H ILE A 26 2.542 -0.758 -5.260 1.00 0.00 H new ATOM 0 HA ILE A 26 4.346 1.317 -4.308 1.00 0.00 H new ATOM 0 HB ILE A 26 4.441 -1.083 -5.996 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.900 0.161 -3.725 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.393 -1.498 -3.969 1.00 0.00 H new ATOM 0 HG21 ILE A 26 6.525 -0.394 -7.104 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.131 0.574 -7.640 1.00 0.00 H new ATOM 0 HG23 ILE A 26 6.301 1.260 -6.488 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.857 -1.308 -4.093 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.192 -1.814 -5.664 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.708 -0.129 -5.417 1.00 0.00 H new ATOM 381 N GLY A 27 2.937 1.508 -7.271 1.00 0.00 N ATOM 382 CA GLY A 27 2.589 2.435 -8.335 1.00 0.00 C ATOM 383 C GLY A 27 2.299 3.829 -7.774 1.00 0.00 C ATOM 384 O GLY A 27 2.785 4.829 -8.302 1.00 0.00 O ATOM 0 H GLY A 27 2.611 0.552 -7.414 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.406 2.491 -9.055 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.715 2.066 -8.872 1.00 0.00 H new ATOM 388 N ILE A 28 1.508 3.852 -6.712 1.00 0.00 N ATOM 389 CA ILE A 28 1.147 5.107 -6.074 1.00 0.00 C ATOM 390 C ILE A 28 2.349 5.641 -5.293 1.00 0.00 C ATOM 391 O ILE A 28 2.746 6.793 -5.468 1.00 0.00 O ATOM 392 CB ILE A 28 -0.112 4.932 -5.222 1.00 0.00 C ATOM 393 CG1 ILE A 28 -0.995 3.810 -5.772 1.00 0.00 C ATOM 394 CG2 ILE A 28 -0.875 6.252 -5.095 1.00 0.00 C ATOM 395 CD1 ILE A 28 -0.789 2.514 -4.986 1.00 0.00 C ATOM 0 H ILE A 28 1.107 3.021 -6.277 1.00 0.00 H new ATOM 0 HA ILE A 28 0.895 5.857 -6.824 1.00 0.00 H new ATOM 0 HB ILE A 28 0.193 4.638 -4.218 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.042 4.108 -5.720 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.763 3.642 -6.824 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.765 6.100 -4.485 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.235 6.998 -4.624 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.169 6.599 -6.086 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.429 1.733 -5.398 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.254 2.205 -5.060 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.045 2.679 -3.939 1.00 0.00 H new ATOM 407 N GLY A 29 2.896 4.779 -4.448 1.00 0.00 N ATOM 408 CA GLY A 29 4.044 5.150 -3.639 1.00 0.00 C ATOM 409 C GLY A 29 5.076 5.913 -4.471 1.00 0.00 C ATOM 410 O GLY A 29 5.486 7.013 -4.101 1.00 0.00 O ATOM 0 H GLY A 29 2.565 3.825 -4.306 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.719 5.767 -2.801 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.501 4.255 -3.217 1.00 0.00 H new ATOM 414 N ILE A 30 5.467 5.300 -5.579 1.00 0.00 N ATOM 415 CA ILE A 30 6.443 5.909 -6.466 1.00 0.00 C ATOM 416 C ILE A 30 5.848 7.176 -7.082 1.00 0.00 C ATOM 417 O ILE A 30 6.574 8.118 -7.398 1.00 0.00 O ATOM 418 CB ILE A 30 6.933 4.893 -7.501 1.00 0.00 C ATOM 419 CG1 ILE A 30 7.599 3.696 -6.822 1.00 0.00 C ATOM 420 CG2 ILE A 30 7.853 5.557 -8.528 1.00 0.00 C ATOM 421 CD1 ILE A 30 9.073 3.985 -6.525 1.00 0.00 C ATOM 0 H ILE A 30 5.125 4.388 -5.882 1.00 0.00 H new ATOM 0 HA ILE A 30 7.328 6.213 -5.907 1.00 0.00 H new ATOM 0 HB ILE A 30 6.067 4.513 -8.043 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.076 3.462 -5.895 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.519 2.818 -7.463 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.187 4.813 -9.252 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.310 6.348 -9.045 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.718 5.983 -8.020 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.524 3.118 -6.042 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.598 4.195 -7.457 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.148 4.848 -5.864 1.00 0.00 H new ATOM 433 N LEU A 31 4.532 7.159 -7.233 1.00 0.00 N ATOM 434 CA LEU A 31 3.829 8.296 -7.806 1.00 0.00 C ATOM 435 C LEU A 31 4.082 9.533 -6.941 1.00 0.00 C ATOM 436 O LEU A 31 4.417 10.598 -7.458 1.00 0.00 O ATOM 437 CB LEU A 31 2.346 7.970 -7.995 1.00 0.00 C ATOM 438 CG LEU A 31 1.729 8.404 -9.325 1.00 0.00 C ATOM 439 CD1 LEU A 31 0.307 7.858 -9.473 1.00 0.00 C ATOM 440 CD2 LEU A 31 1.779 9.924 -9.483 1.00 0.00 C ATOM 0 H LEU A 31 3.933 6.376 -6.969 1.00 0.00 H new ATOM 0 HA LEU A 31 4.211 8.518 -8.802 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.215 6.893 -7.891 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.785 8.439 -7.187 1.00 0.00 H new ATOM 0 HG LEU A 31 2.324 7.978 -10.133 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.109 8.181 -10.427 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.330 6.769 -9.437 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.314 8.235 -8.660 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.334 10.205 -10.437 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.223 10.393 -8.671 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.816 10.259 -9.454 1.00 0.00 H new ATOM 452 N GLY A 32 3.911 9.352 -5.641 1.00 0.00 N ATOM 453 CA GLY A 32 4.115 10.440 -4.700 1.00 0.00 C ATOM 454 C GLY A 32 5.467 11.118 -4.932 1.00 0.00 C ATOM 455 O GLY A 32 5.583 12.336 -4.811 1.00 0.00 O ATOM 0 H GLY A 32 3.633 8.467 -5.216 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.314 11.172 -4.805 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.066 10.058 -3.680 1.00 0.00 H new ATOM 459 N GLY A 33 6.455 10.299 -5.261 1.00 0.00 N ATOM 460 CA GLY A 33 7.794 10.804 -5.510 1.00 0.00 C ATOM 461 C GLY A 33 7.871 11.508 -6.866 1.00 0.00 C ATOM 462 O GLY A 33 8.502 12.557 -6.990 1.00 0.00 O ATOM 0 H GLY A 33 6.355 9.289 -5.361 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.078 11.498 -4.719 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.508 9.981 -5.483 1.00 0.00 H new ATOM 466 N LYS A 34 7.218 10.905 -7.848 1.00 0.00 N ATOM 467 CA LYS A 34 7.204 11.461 -9.191 1.00 0.00 C ATOM 468 C LYS A 34 6.304 12.699 -9.216 1.00 0.00 C ATOM 469 O LYS A 34 6.263 13.420 -10.210 1.00 0.00 O ATOM 470 CB LYS A 34 6.807 10.392 -10.210 1.00 0.00 C ATOM 471 CG LYS A 34 7.727 10.430 -11.432 1.00 0.00 C ATOM 472 CD LYS A 34 7.961 9.022 -11.986 1.00 0.00 C ATOM 473 CE LYS A 34 7.415 8.898 -13.410 1.00 0.00 C ATOM 474 NZ LYS A 34 8.518 8.959 -14.395 1.00 0.00 N ATOM 0 H LYS A 34 6.694 10.036 -7.741 1.00 0.00 H new ATOM 0 HA LYS A 34 8.204 11.786 -9.479 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.854 9.407 -9.746 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.775 10.548 -10.523 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.286 11.060 -12.204 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.681 10.881 -11.159 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.028 8.797 -11.980 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.477 8.288 -11.341 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.875 7.958 -13.518 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.702 9.699 -13.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.130 8.873 -15.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.016 9.867 -14.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.184 8.179 -14.220 1.00 0.00 H new ATOM 488 N PHE A 35 5.607 12.907 -8.108 1.00 0.00 N ATOM 489 CA PHE A 35 4.711 14.045 -7.991 1.00 0.00 C ATOM 490 C PHE A 35 5.383 15.196 -7.241 1.00 0.00 C ATOM 491 O PHE A 35 5.122 16.364 -7.527 1.00 0.00 O ATOM 492 CB PHE A 35 3.494 13.574 -7.193 1.00 0.00 C ATOM 493 CG PHE A 35 2.204 14.326 -7.524 1.00 0.00 C ATOM 494 CD1 PHE A 35 1.701 14.291 -8.787 1.00 0.00 C ATOM 495 CD2 PHE A 35 1.558 15.031 -6.556 1.00 0.00 C ATOM 496 CE1 PHE A 35 0.504 14.989 -9.096 1.00 0.00 C ATOM 497 CE2 PHE A 35 0.361 15.729 -6.864 1.00 0.00 C ATOM 498 CZ PHE A 35 -0.141 15.694 -8.128 1.00 0.00 C ATOM 0 H PHE A 35 5.645 12.307 -7.284 1.00 0.00 H new ATOM 0 HA PHE A 35 4.434 14.405 -8.982 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.340 12.511 -7.378 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.705 13.685 -6.129 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.213 13.731 -9.556 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.956 15.060 -5.553 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.106 14.960 -10.099 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.151 16.288 -6.095 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.051 16.226 -8.363 1.00 0.00 H new ATOM 508 N LEU A 36 6.235 14.828 -6.295 1.00 0.00 N ATOM 509 CA LEU A 36 6.947 15.815 -5.503 1.00 0.00 C ATOM 510 C LEU A 36 7.655 16.799 -6.437 1.00 0.00 C ATOM 511 O LEU A 36 7.581 18.011 -6.239 1.00 0.00 O ATOM 512 CB LEU A 36 7.884 15.129 -4.507 1.00 0.00 C ATOM 513 CG LEU A 36 8.666 16.057 -3.573 1.00 0.00 C ATOM 514 CD1 LEU A 36 7.721 16.822 -2.645 1.00 0.00 C ATOM 515 CD2 LEU A 36 9.730 15.281 -2.795 1.00 0.00 C ATOM 0 H LEU A 36 6.448 13.859 -6.060 1.00 0.00 H new ATOM 0 HA LEU A 36 6.248 16.395 -4.900 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.295 14.444 -3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.597 14.524 -5.067 1.00 0.00 H new ATOM 0 HG LEU A 36 9.187 16.796 -4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.301 17.474 -1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.034 17.423 -3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.153 16.115 -2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.271 15.963 -2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.251 14.506 -2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.428 14.820 -3.494 1.00 0.00 H new ATOM 527 N GLU A 37 8.324 16.241 -7.434 1.00 0.00 N ATOM 528 CA GLU A 37 9.045 17.053 -8.400 1.00 0.00 C ATOM 529 C GLU A 37 8.064 17.884 -9.231 1.00 0.00 C ATOM 530 O GLU A 37 8.308 19.061 -9.491 1.00 0.00 O ATOM 531 CB GLU A 37 9.926 16.184 -9.299 1.00 0.00 C ATOM 532 CG GLU A 37 11.319 16.796 -9.457 1.00 0.00 C ATOM 533 CD GLU A 37 12.398 15.711 -9.457 1.00 0.00 C ATOM 534 OE1 GLU A 37 13.354 15.789 -8.671 1.00 0.00 O ATOM 535 OE2 GLU A 37 12.217 14.762 -10.312 1.00 0.00 O ATOM 0 H GLU A 37 8.382 15.235 -7.594 1.00 0.00 H new ATOM 0 HA GLU A 37 9.699 17.734 -7.856 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.010 15.184 -8.874 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.459 16.076 -10.278 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.368 17.362 -10.387 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.505 17.499 -8.645 1.00 0.00 H new ATOM 543 N GLY A 38 6.977 17.238 -9.626 1.00 0.00 N ATOM 544 CA GLY A 38 5.959 17.902 -10.422 1.00 0.00 C ATOM 545 C GLY A 38 5.391 19.116 -9.684 1.00 0.00 C ATOM 546 O GLY A 38 5.523 20.247 -10.148 1.00 0.00 O ATOM 0 H GLY A 38 6.779 16.261 -9.409 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.385 18.218 -11.374 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.156 17.201 -10.649 1.00 0.00 H new ATOM 550 N ALA A 39 4.770 18.839 -8.546 1.00 0.00 N ATOM 551 CA ALA A 39 4.181 19.894 -7.739 1.00 0.00 C ATOM 552 C ALA A 39 5.273 20.880 -7.320 1.00 0.00 C ATOM 553 O ALA A 39 4.978 21.993 -6.889 1.00 0.00 O ATOM 554 CB ALA A 39 3.461 19.277 -6.539 1.00 0.00 C ATOM 0 H ALA A 39 4.662 17.899 -8.164 1.00 0.00 H new ATOM 0 HA ALA A 39 3.440 20.449 -8.314 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.019 20.068 -5.934 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.676 18.608 -6.891 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.174 18.715 -5.936 1.00 0.00 H new ATOM 560 N ALA A 40 6.513 20.435 -7.460 1.00 0.00 N ATOM 561 CA ALA A 40 7.652 21.263 -7.102 1.00 0.00 C ATOM 562 C ALA A 40 7.540 22.612 -7.815 1.00 0.00 C ATOM 563 O ALA A 40 8.104 23.607 -7.362 1.00 0.00 O ATOM 564 CB ALA A 40 8.949 20.527 -7.445 1.00 0.00 C ATOM 0 H ALA A 40 6.754 19.510 -7.817 1.00 0.00 H new ATOM 0 HA ALA A 40 7.663 21.457 -6.029 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.803 21.149 -7.176 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.994 19.590 -6.890 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.976 20.317 -8.514 1.00 0.00 H new ATOM 570 N ARG A 41 6.807 22.603 -8.919 1.00 0.00 N ATOM 571 CA ARG A 41 6.615 23.813 -9.700 1.00 0.00 C ATOM 572 C ARG A 41 5.935 24.889 -8.850 1.00 0.00 C ATOM 573 O ARG A 41 6.224 26.076 -8.998 1.00 0.00 O ATOM 574 CB ARG A 41 5.763 23.538 -10.940 1.00 0.00 C ATOM 575 CG ARG A 41 6.343 24.240 -12.170 1.00 0.00 C ATOM 576 CD ARG A 41 7.618 23.544 -12.648 1.00 0.00 C ATOM 577 NE ARG A 41 7.818 23.788 -14.094 1.00 0.00 N ATOM 578 CZ ARG A 41 7.027 23.280 -15.063 1.00 0.00 C ATOM 579 NH1 ARG A 41 5.977 22.493 -14.748 1.00 0.00 N ATOM 580 NH2 ARG A 41 7.298 23.564 -16.324 1.00 0.00 N ATOM 0 H ARG A 41 6.339 21.777 -9.291 1.00 0.00 H new ATOM 0 HA ARG A 41 7.597 24.163 -10.019 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.712 22.464 -11.120 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.743 23.881 -10.768 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.605 24.245 -12.972 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.561 25.281 -11.930 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.476 23.914 -12.087 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.550 22.473 -12.458 1.00 0.00 H new ATOM 0 HE ARG A 41 8.602 24.376 -14.376 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.776 22.278 -13.771 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.385 22.113 -15.486 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.094 24.159 -16.553 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.711 23.189 -17.069 1.00 0.00 H new ATOM 594 N GLN A 42 5.045 24.437 -7.979 1.00 0.00 N ATOM 595 CA GLN A 42 4.322 25.346 -7.106 1.00 0.00 C ATOM 596 C GLN A 42 4.602 25.010 -5.641 1.00 0.00 C ATOM 597 O GLN A 42 4.288 23.913 -5.181 1.00 0.00 O ATOM 598 CB GLN A 42 2.821 25.311 -7.400 1.00 0.00 C ATOM 599 CG GLN A 42 2.349 23.880 -7.672 1.00 0.00 C ATOM 600 CD GLN A 42 2.311 23.592 -9.174 1.00 0.00 C ATOM 601 OE1 GLN A 42 3.193 22.680 -9.572 1.00 0.00 O flip ATOM 602 NE2 GLN A 42 1.531 24.158 -9.922 1.00 0.00 N flip ATOM 0 H GLN A 42 4.808 23.452 -7.859 1.00 0.00 H new ATOM 0 HA GLN A 42 4.673 26.360 -7.299 1.00 0.00 H new ATOM 0 HB2 GLN A 42 2.271 25.725 -6.554 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.601 25.941 -8.262 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.017 23.173 -7.179 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.357 23.733 -7.245 1.00 0.00 H new ATOM 0 HE21 GLN A 42 0.879 24.849 -9.551 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.531 23.940 -10.918 1.00 0.00 H new ATOM 611 N PRO A 43 5.204 26.000 -4.929 1.00 0.00 N ATOM 612 CA PRO A 43 5.531 25.820 -3.525 1.00 0.00 C ATOM 613 C PRO A 43 4.276 25.912 -2.654 1.00 0.00 C ATOM 614 O PRO A 43 4.353 25.791 -1.433 1.00 0.00 O ATOM 615 CB PRO A 43 6.549 26.905 -3.215 1.00 0.00 C ATOM 616 CG PRO A 43 6.409 27.937 -4.323 1.00 0.00 C ATOM 617 CD PRO A 43 5.591 27.312 -5.441 1.00 0.00 C ATOM 0 HA PRO A 43 5.943 24.834 -3.313 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.359 27.352 -2.239 1.00 0.00 H new ATOM 0 HB3 PRO A 43 7.559 26.496 -3.187 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.919 28.836 -3.948 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.390 28.238 -4.690 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.717 27.918 -5.678 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.175 27.223 -6.357 1.00 0.00 H new ATOM 625 N ASP A 44 3.149 26.125 -3.318 1.00 0.00 N ATOM 626 CA ASP A 44 1.879 26.234 -2.620 1.00 0.00 C ATOM 627 C ASP A 44 1.114 24.916 -2.753 1.00 0.00 C ATOM 628 O ASP A 44 -0.067 24.842 -2.417 1.00 0.00 O ATOM 629 CB ASP A 44 1.015 27.345 -3.221 1.00 0.00 C ATOM 630 CG ASP A 44 0.674 28.488 -2.264 1.00 0.00 C ATOM 631 OD1 ASP A 44 -0.424 28.536 -1.690 1.00 0.00 O ATOM 632 OD2 ASP A 44 1.605 29.368 -2.112 1.00 0.00 O ATOM 0 H ASP A 44 3.089 26.225 -4.331 1.00 0.00 H new ATOM 0 HA ASP A 44 2.087 26.463 -1.575 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.532 27.758 -4.087 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.086 26.906 -3.584 1.00 0.00 H new ATOM 638 N LEU A 45 1.819 23.907 -3.243 1.00 0.00 N ATOM 639 CA LEU A 45 1.221 22.595 -3.424 1.00 0.00 C ATOM 640 C LEU A 45 2.204 21.521 -2.950 1.00 0.00 C ATOM 641 O LEU A 45 2.005 20.335 -3.208 1.00 0.00 O ATOM 642 CB LEU A 45 0.761 22.410 -4.871 1.00 0.00 C ATOM 643 CG LEU A 45 -0.515 23.155 -5.269 1.00 0.00 C ATOM 644 CD1 LEU A 45 -0.207 24.606 -5.650 1.00 0.00 C ATOM 645 CD2 LEU A 45 -1.256 22.416 -6.385 1.00 0.00 C ATOM 0 H LEU A 45 2.798 23.971 -3.520 1.00 0.00 H new ATOM 0 HA LEU A 45 0.323 22.499 -2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.567 22.731 -5.531 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.607 21.346 -5.049 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.178 23.182 -4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.131 25.113 -5.929 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.245 25.117 -4.800 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.484 24.622 -6.493 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.159 22.967 -6.649 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.611 22.337 -7.260 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.527 21.417 -6.042 1.00 0.00 H new ATOM 657 N ILE A 46 3.241 21.976 -2.264 1.00 0.00 N ATOM 658 CA ILE A 46 4.255 21.070 -1.751 1.00 0.00 C ATOM 659 C ILE A 46 3.724 20.375 -0.495 1.00 0.00 C ATOM 660 O ILE A 46 3.739 19.149 -0.407 1.00 0.00 O ATOM 661 CB ILE A 46 5.575 21.811 -1.531 1.00 0.00 C ATOM 662 CG1 ILE A 46 6.519 21.615 -2.720 1.00 0.00 C ATOM 663 CG2 ILE A 46 6.224 21.397 -0.209 1.00 0.00 C ATOM 664 CD1 ILE A 46 7.803 22.426 -2.540 1.00 0.00 C ATOM 0 H ILE A 46 3.402 22.960 -2.051 1.00 0.00 H new ATOM 0 HA ILE A 46 4.472 20.290 -2.481 1.00 0.00 H new ATOM 0 HB ILE A 46 5.360 22.877 -1.463 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.764 20.558 -2.824 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.019 21.918 -3.640 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.161 21.939 -0.078 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.551 21.631 0.616 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.423 20.325 -0.221 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.456 22.269 -3.398 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.556 23.485 -2.461 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.313 22.103 -1.632 1.00 0.00 H new ATOM 676 N PRO A 47 3.254 21.212 0.469 1.00 0.00 N ATOM 677 CA PRO A 47 2.719 20.691 1.715 1.00 0.00 C ATOM 678 C PRO A 47 1.326 20.094 1.506 1.00 0.00 C ATOM 679 O PRO A 47 0.705 19.612 2.453 1.00 0.00 O ATOM 680 CB PRO A 47 2.721 21.875 2.669 1.00 0.00 C ATOM 681 CG PRO A 47 2.817 23.114 1.795 1.00 0.00 C ATOM 682 CD PRO A 47 3.221 22.670 0.398 1.00 0.00 C ATOM 0 HA PRO A 47 3.313 19.871 2.118 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.813 21.892 3.272 1.00 0.00 H new ATOM 0 HB3 PRO A 47 3.562 21.818 3.360 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.861 23.637 1.768 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.550 23.811 2.201 1.00 0.00 H new ATOM 0 HD2 PRO A 47 2.506 23.014 -0.349 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.194 23.075 0.119 1.00 0.00 H new ATOM 690 N LEU A 48 0.876 20.143 0.262 1.00 0.00 N ATOM 691 CA LEU A 48 -0.432 19.613 -0.083 1.00 0.00 C ATOM 692 C LEU A 48 -0.277 18.181 -0.601 1.00 0.00 C ATOM 693 O LEU A 48 -0.813 17.243 -0.012 1.00 0.00 O ATOM 694 CB LEU A 48 -1.147 20.546 -1.062 1.00 0.00 C ATOM 695 CG LEU A 48 -1.717 21.835 -0.465 1.00 0.00 C ATOM 696 CD1 LEU A 48 -0.594 22.795 -0.064 1.00 0.00 C ATOM 697 CD2 LEU A 48 -2.715 22.489 -1.422 1.00 0.00 C ATOM 0 H LEU A 48 1.394 20.542 -0.521 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.069 19.566 0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.448 20.814 -1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.962 19.994 -1.530 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.263 21.579 0.443 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.025 23.703 0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.045 22.318 0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.001 23.049 -0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.104 23.403 -0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.215 22.730 -2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.538 21.801 -1.616 1.00 0.00 H new ATOM 709 N LEU A 49 0.459 18.059 -1.696 1.00 0.00 N ATOM 710 CA LEU A 49 0.691 16.757 -2.298 1.00 0.00 C ATOM 711 C LEU A 49 1.558 15.913 -1.363 1.00 0.00 C ATOM 712 O LEU A 49 1.410 14.693 -1.304 1.00 0.00 O ATOM 713 CB LEU A 49 1.277 16.915 -3.703 1.00 0.00 C ATOM 714 CG LEU A 49 2.795 16.769 -3.818 1.00 0.00 C ATOM 715 CD1 LEU A 49 3.512 17.780 -2.919 1.00 0.00 C ATOM 716 CD2 LEU A 49 3.233 15.332 -3.525 1.00 0.00 C ATOM 0 H LEU A 49 0.902 18.839 -2.181 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.251 16.224 -2.426 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.811 16.176 -4.355 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.997 17.897 -4.083 1.00 0.00 H new ATOM 0 HG LEU A 49 3.082 16.990 -4.846 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.590 17.655 -3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.235 18.792 -3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.222 17.614 -1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.317 15.257 -3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.932 15.059 -2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.763 14.656 -4.239 1.00 0.00 H new ATOM 728 N ARG A 50 2.445 16.596 -0.652 1.00 0.00 N ATOM 729 CA ARG A 50 3.335 15.925 0.279 1.00 0.00 C ATOM 730 C ARG A 50 2.527 15.198 1.356 1.00 0.00 C ATOM 731 O ARG A 50 2.532 13.970 1.419 1.00 0.00 O ATOM 732 CB ARG A 50 4.285 16.920 0.947 1.00 0.00 C ATOM 733 CG ARG A 50 5.165 16.224 1.988 1.00 0.00 C ATOM 734 CD ARG A 50 5.213 17.027 3.290 1.00 0.00 C ATOM 735 NE ARG A 50 6.317 18.012 3.235 1.00 0.00 N ATOM 736 CZ ARG A 50 7.624 17.682 3.193 1.00 0.00 C ATOM 737 NH1 ARG A 50 8.005 16.387 3.200 1.00 0.00 N ATOM 738 NH2 ARG A 50 8.527 18.645 3.147 1.00 0.00 N ATOM 0 H ARG A 50 2.565 17.608 -0.703 1.00 0.00 H new ATOM 0 HA ARG A 50 3.924 15.203 -0.287 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.913 17.392 0.191 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.710 17.713 1.424 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.778 15.225 2.187 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.174 16.103 1.594 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.264 17.540 3.446 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.355 16.355 4.137 1.00 0.00 H new ATOM 0 HE ARG A 50 6.074 19.003 3.228 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.302 15.649 3.237 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.996 16.147 3.168 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.232 19.621 3.144 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.520 18.412 3.115 1.00 0.00 H new ATOM 752 N THR A 51 1.853 15.989 2.179 1.00 0.00 N ATOM 753 CA THR A 51 1.042 15.437 3.251 1.00 0.00 C ATOM 754 C THR A 51 0.185 14.281 2.730 1.00 0.00 C ATOM 755 O THR A 51 -0.014 13.288 3.428 1.00 0.00 O ATOM 756 CB THR A 51 0.222 16.577 3.857 1.00 0.00 C ATOM 757 OG1 THR A 51 1.159 17.294 4.654 1.00 0.00 O ATOM 758 CG2 THR A 51 -0.819 16.079 4.862 1.00 0.00 C ATOM 0 H THR A 51 1.852 17.008 2.125 1.00 0.00 H new ATOM 0 HA THR A 51 1.663 15.010 4.038 1.00 0.00 H new ATOM 0 HB THR A 51 -0.277 17.128 3.060 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.711 18.053 5.083 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.373 16.928 5.262 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.509 15.397 4.364 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.317 15.557 5.677 1.00 0.00 H new ATOM 766 N GLN A 52 -0.299 14.449 1.508 1.00 0.00 N ATOM 767 CA GLN A 52 -1.129 13.433 0.886 1.00 0.00 C ATOM 768 C GLN A 52 -0.349 12.125 0.739 1.00 0.00 C ATOM 769 O GLN A 52 -0.809 11.070 1.174 1.00 0.00 O ATOM 770 CB GLN A 52 -1.659 13.909 -0.468 1.00 0.00 C ATOM 771 CG GLN A 52 -3.102 14.404 -0.349 1.00 0.00 C ATOM 772 CD GLN A 52 -4.024 13.638 -1.300 1.00 0.00 C ATOM 773 OE1 GLN A 52 -4.943 12.947 -0.893 1.00 0.00 O ATOM 774 NE2 GLN A 52 -3.728 13.799 -2.587 1.00 0.00 N ATOM 0 H GLN A 52 -0.132 15.274 0.932 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.988 13.251 1.532 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.026 14.711 -0.849 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.609 13.093 -1.189 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.449 14.281 0.677 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.145 15.469 -0.575 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.944 14.392 -2.860 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.285 13.329 -3.301 1.00 0.00 H new ATOM 783 N PHE A 53 0.820 12.237 0.127 1.00 0.00 N ATOM 784 CA PHE A 53 1.670 11.077 -0.083 1.00 0.00 C ATOM 785 C PHE A 53 1.833 10.276 1.210 1.00 0.00 C ATOM 786 O PHE A 53 1.912 9.049 1.178 1.00 0.00 O ATOM 787 CB PHE A 53 3.041 11.600 -0.521 1.00 0.00 C ATOM 788 CG PHE A 53 4.118 10.518 -0.613 1.00 0.00 C ATOM 789 CD1 PHE A 53 3.913 9.417 -1.385 1.00 0.00 C ATOM 790 CD2 PHE A 53 5.281 10.657 0.078 1.00 0.00 C ATOM 791 CE1 PHE A 53 4.914 8.413 -1.470 1.00 0.00 C ATOM 792 CE2 PHE A 53 6.282 9.653 -0.006 1.00 0.00 C ATOM 793 CZ PHE A 53 6.077 8.552 -0.779 1.00 0.00 C ATOM 0 H PHE A 53 1.199 13.114 -0.231 1.00 0.00 H new ATOM 0 HA PHE A 53 1.226 10.421 -0.832 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.941 12.082 -1.493 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.368 12.365 0.183 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.989 9.306 -1.933 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.443 11.531 0.691 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.752 7.539 -2.083 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.205 9.763 0.543 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.838 7.788 -0.844 1.00 0.00 H new ATOM 803 N PHE A 54 1.877 11.002 2.317 1.00 0.00 N ATOM 804 CA PHE A 54 2.028 10.375 3.619 1.00 0.00 C ATOM 805 C PHE A 54 0.841 9.462 3.929 1.00 0.00 C ATOM 806 O PHE A 54 1.017 8.267 4.161 1.00 0.00 O ATOM 807 CB PHE A 54 2.075 11.500 4.655 1.00 0.00 C ATOM 808 CG PHE A 54 2.956 11.193 5.867 1.00 0.00 C ATOM 809 CD1 PHE A 54 4.309 11.152 5.733 1.00 0.00 C ATOM 810 CD2 PHE A 54 2.387 10.959 7.080 1.00 0.00 C ATOM 811 CE1 PHE A 54 5.126 10.866 6.858 1.00 0.00 C ATOM 812 CE2 PHE A 54 3.205 10.674 8.206 1.00 0.00 C ATOM 813 CZ PHE A 54 4.558 10.633 8.071 1.00 0.00 C ATOM 0 H PHE A 54 1.811 12.020 2.339 1.00 0.00 H new ATOM 0 HA PHE A 54 2.933 9.768 3.636 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.440 12.408 4.174 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.061 11.706 4.998 1.00 0.00 H new ATOM 0 HD1 PHE A 54 4.762 11.337 4.770 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.313 10.990 7.187 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.200 10.833 6.750 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.753 10.490 9.169 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.180 10.416 8.927 1.00 0.00 H new ATOM 823 N ILE A 55 -0.341 10.059 3.921 1.00 0.00 N ATOM 824 CA ILE A 55 -1.558 9.314 4.199 1.00 0.00 C ATOM 825 C ILE A 55 -1.704 8.184 3.178 1.00 0.00 C ATOM 826 O ILE A 55 -2.196 7.106 3.504 1.00 0.00 O ATOM 827 CB ILE A 55 -2.764 10.256 4.249 1.00 0.00 C ATOM 828 CG1 ILE A 55 -2.855 10.956 5.607 1.00 0.00 C ATOM 829 CG2 ILE A 55 -4.055 9.514 3.898 1.00 0.00 C ATOM 830 CD1 ILE A 55 -3.163 12.445 5.436 1.00 0.00 C ATOM 0 H ILE A 55 -0.483 11.050 3.726 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.503 8.850 5.184 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.625 11.031 3.495 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.632 10.487 6.211 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.916 10.835 6.146 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.896 10.206 3.941 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.976 9.102 2.892 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.215 8.705 4.610 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.222 12.919 6.416 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.372 12.916 4.853 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.115 12.563 4.918 1.00 0.00 H new ATOM 842 N VAL A 56 -1.265 8.471 1.960 1.00 0.00 N ATOM 843 CA VAL A 56 -1.340 7.492 0.889 1.00 0.00 C ATOM 844 C VAL A 56 -0.353 6.358 1.170 1.00 0.00 C ATOM 845 O VAL A 56 -0.605 5.207 0.813 1.00 0.00 O ATOM 846 CB VAL A 56 -1.099 8.173 -0.460 1.00 0.00 C ATOM 847 CG1 VAL A 56 -0.765 7.144 -1.542 1.00 0.00 C ATOM 848 CG2 VAL A 56 -2.303 9.025 -0.867 1.00 0.00 C ATOM 0 H VAL A 56 -0.857 9.367 1.692 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.336 7.052 0.843 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.241 8.836 -0.352 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.598 7.654 -2.491 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.136 6.599 -1.260 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.594 6.444 -1.647 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.106 9.498 -1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.186 8.391 -0.948 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.476 9.794 -0.114 1.00 0.00 H new ATOM 858 N MET A 57 0.750 6.720 1.807 1.00 0.00 N ATOM 859 CA MET A 57 1.777 5.747 2.140 1.00 0.00 C ATOM 860 C MET A 57 1.210 4.633 3.023 1.00 0.00 C ATOM 861 O MET A 57 1.360 3.452 2.710 1.00 0.00 O ATOM 862 CB MET A 57 2.924 6.445 2.874 1.00 0.00 C ATOM 863 CG MET A 57 4.270 6.123 2.221 1.00 0.00 C ATOM 864 SD MET A 57 5.598 6.838 3.175 1.00 0.00 S ATOM 865 CE MET A 57 6.363 5.353 3.803 1.00 0.00 C ATOM 0 H MET A 57 0.956 7.675 2.102 1.00 0.00 H new ATOM 0 HA MET A 57 2.143 5.302 1.215 1.00 0.00 H new ATOM 0 HB2 MET A 57 2.762 7.523 2.868 1.00 0.00 H new ATOM 0 HB3 MET A 57 2.938 6.130 3.918 1.00 0.00 H new ATOM 0 HG2 MET A 57 4.401 5.043 2.152 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.292 6.512 1.203 1.00 0.00 H new ATOM 0 HE1 MET A 57 7.218 5.619 4.425 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.640 4.795 4.399 1.00 0.00 H new ATOM 0 HE3 MET A 57 6.699 4.736 2.969 1.00 0.00 H new ATOM 875 N GLY A 58 0.572 5.048 4.107 1.00 0.00 N ATOM 876 CA GLY A 58 -0.018 4.099 5.036 1.00 0.00 C ATOM 877 C GLY A 58 -1.033 3.197 4.329 1.00 0.00 C ATOM 878 O GLY A 58 -0.848 1.984 4.259 1.00 0.00 O ATOM 0 H GLY A 58 0.451 6.028 4.363 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.766 3.489 5.484 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.508 4.636 5.848 1.00 0.00 H new ATOM 882 N LEU A 59 -2.084 3.827 3.824 1.00 0.00 N ATOM 883 CA LEU A 59 -3.128 3.098 3.125 1.00 0.00 C ATOM 884 C LEU A 59 -2.490 2.160 2.098 1.00 0.00 C ATOM 885 O LEU A 59 -2.883 1.000 1.984 1.00 0.00 O ATOM 886 CB LEU A 59 -4.148 4.066 2.523 1.00 0.00 C ATOM 887 CG LEU A 59 -3.813 4.616 1.134 1.00 0.00 C ATOM 888 CD1 LEU A 59 -4.177 3.606 0.044 1.00 0.00 C ATOM 889 CD2 LEU A 59 -4.481 5.972 0.905 1.00 0.00 C ATOM 0 H LEU A 59 -2.235 4.834 3.885 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.688 2.475 3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.112 3.560 2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.268 4.907 3.206 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.736 4.776 1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.929 4.020 -0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.616 2.684 0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.245 3.393 0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.226 6.340 -0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.563 5.863 0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.131 6.681 1.655 1.00 0.00 H new ATOM 901 N VAL A 60 -1.517 2.698 1.377 1.00 0.00 N ATOM 902 CA VAL A 60 -0.821 1.924 0.364 1.00 0.00 C ATOM 903 C VAL A 60 -0.218 0.673 1.007 1.00 0.00 C ATOM 904 O VAL A 60 -0.292 -0.417 0.442 1.00 0.00 O ATOM 905 CB VAL A 60 0.222 2.797 -0.337 1.00 0.00 C ATOM 906 CG1 VAL A 60 1.355 1.944 -0.912 1.00 0.00 C ATOM 907 CG2 VAL A 60 -0.424 3.656 -1.426 1.00 0.00 C ATOM 0 H VAL A 60 -1.194 3.661 1.475 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.517 1.590 -0.406 1.00 0.00 H new ATOM 0 HB VAL A 60 0.652 3.467 0.407 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.082 2.589 -1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.843 1.396 -0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.948 1.238 -1.636 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.339 4.267 -1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.894 3.010 -2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.178 4.304 -0.979 1.00 0.00 H new ATOM 917 N ASN A 61 0.362 0.873 2.181 1.00 0.00 N ATOM 918 CA ASN A 61 0.977 -0.226 2.908 1.00 0.00 C ATOM 919 C ASN A 61 -0.114 -1.049 3.597 1.00 0.00 C ATOM 920 O ASN A 61 0.177 -2.062 4.231 1.00 0.00 O ATOM 921 CB ASN A 61 1.930 0.293 3.987 1.00 0.00 C ATOM 922 CG ASN A 61 3.346 0.459 3.433 1.00 0.00 C ATOM 923 OD1 ASN A 61 3.392 1.006 2.221 1.00 0.00 O flip ATOM 924 ND2 ASN A 61 4.332 0.115 4.064 1.00 0.00 N flip ATOM 0 H ASN A 61 0.419 1.778 2.647 1.00 0.00 H new ATOM 0 HA ASN A 61 1.535 -0.832 2.195 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.570 1.249 4.366 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.944 -0.399 4.829 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.226 -0.299 4.990 1.00 0.00 H new ATOM 0 HD22 ASN A 61 5.262 0.241 3.665 1.00 0.00 H new ATOM 931 N ALA A 62 -1.345 -0.583 3.449 1.00 0.00 N ATOM 932 CA ALA A 62 -2.480 -1.263 4.049 1.00 0.00 C ATOM 933 C ALA A 62 -3.051 -2.271 3.050 1.00 0.00 C ATOM 934 O ALA A 62 -3.676 -3.255 3.443 1.00 0.00 O ATOM 935 CB ALA A 62 -3.518 -0.230 4.495 1.00 0.00 C ATOM 0 H ALA A 62 -1.581 0.258 2.922 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.171 -1.817 4.936 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.369 -0.741 4.945 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.071 0.443 5.226 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.854 0.344 3.632 1.00 0.00 H new ATOM 941 N ILE A 63 -2.818 -1.990 1.776 1.00 0.00 N ATOM 942 CA ILE A 63 -3.301 -2.860 0.718 1.00 0.00 C ATOM 943 C ILE A 63 -2.725 -4.264 0.913 1.00 0.00 C ATOM 944 O ILE A 63 -3.467 -5.244 0.947 1.00 0.00 O ATOM 945 CB ILE A 63 -2.995 -2.256 -0.655 1.00 0.00 C ATOM 946 CG1 ILE A 63 -4.212 -1.514 -1.211 1.00 0.00 C ATOM 947 CG2 ILE A 63 -2.482 -3.323 -1.622 1.00 0.00 C ATOM 948 CD1 ILE A 63 -3.899 -0.890 -2.573 1.00 0.00 C ATOM 0 H ILE A 63 -2.301 -1.172 1.453 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.386 -2.951 0.767 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.198 -1.522 -0.535 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.050 -2.204 -1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.518 -0.736 -0.512 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.273 -2.867 -2.589 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.569 -3.766 -1.224 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.238 -4.098 -1.743 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.781 -0.369 -2.946 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.076 -0.183 -2.469 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.617 -1.674 -3.276 1.00 0.00 H new ATOM 960 N PRO A 64 -1.372 -4.317 1.041 1.00 0.00 N ATOM 961 CA PRO A 64 -0.688 -5.584 1.233 1.00 0.00 C ATOM 962 C PRO A 64 -0.878 -6.100 2.661 1.00 0.00 C ATOM 963 O PRO A 64 -1.239 -7.259 2.864 1.00 0.00 O ATOM 964 CB PRO A 64 0.766 -5.302 0.892 1.00 0.00 C ATOM 965 CG PRO A 64 0.928 -3.793 0.973 1.00 0.00 C ATOM 966 CD PRO A 64 -0.461 -3.176 1.007 1.00 0.00 C ATOM 0 HA PRO A 64 -1.086 -6.376 0.599 1.00 0.00 H new ATOM 0 HB2 PRO A 64 1.435 -5.805 1.590 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.011 -5.668 -0.105 1.00 0.00 H new ATOM 0 HG2 PRO A 64 1.490 -3.517 1.865 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.489 -3.423 0.115 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -0.590 -2.540 1.882 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.639 -2.553 0.131 1.00 0.00 H new ATOM 974 N MET A 65 -0.626 -5.214 3.614 1.00 0.00 N ATOM 975 CA MET A 65 -0.765 -5.564 5.017 1.00 0.00 C ATOM 976 C MET A 65 -2.087 -6.292 5.272 1.00 0.00 C ATOM 977 O MET A 65 -2.123 -7.283 5.999 1.00 0.00 O ATOM 978 CB MET A 65 -0.709 -4.295 5.869 1.00 0.00 C ATOM 979 CG MET A 65 0.729 -3.981 6.290 1.00 0.00 C ATOM 980 SD MET A 65 0.940 -4.309 8.032 1.00 0.00 S ATOM 981 CE MET A 65 0.865 -2.644 8.672 1.00 0.00 C ATOM 0 H MET A 65 -0.326 -4.254 3.442 1.00 0.00 H new ATOM 0 HA MET A 65 0.054 -6.230 5.288 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.118 -3.456 5.306 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.332 -4.419 6.755 1.00 0.00 H new ATOM 0 HG2 MET A 65 1.427 -4.586 5.711 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.959 -2.937 6.078 1.00 0.00 H new ATOM 0 HE1 MET A 65 0.981 -2.665 9.756 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.666 -2.049 8.233 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.098 -2.200 8.418 1.00 0.00 H new ATOM 991 N ILE A 66 -3.140 -5.771 4.660 1.00 0.00 N ATOM 992 CA ILE A 66 -4.461 -6.358 4.811 1.00 0.00 C ATOM 993 C ILE A 66 -4.580 -7.577 3.893 1.00 0.00 C ATOM 994 O ILE A 66 -5.316 -8.516 4.196 1.00 0.00 O ATOM 995 CB ILE A 66 -5.546 -5.305 4.581 1.00 0.00 C ATOM 996 CG1 ILE A 66 -5.613 -4.322 5.751 1.00 0.00 C ATOM 997 CG2 ILE A 66 -6.899 -5.963 4.305 1.00 0.00 C ATOM 998 CD1 ILE A 66 -5.936 -2.909 5.263 1.00 0.00 C ATOM 0 H ILE A 66 -3.105 -4.948 4.058 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.606 -6.712 5.832 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.282 -4.730 3.693 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.373 -4.648 6.461 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.661 -4.318 6.282 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.653 -5.192 4.145 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.825 -6.588 3.415 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.185 -6.578 5.158 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.978 -2.230 6.115 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.161 -2.577 4.572 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.900 -2.911 4.754 1.00 0.00 H new ATOM 1010 N ALA A 67 -3.847 -7.521 2.792 1.00 0.00 N ATOM 1011 CA ALA A 67 -3.862 -8.609 1.828 1.00 0.00 C ATOM 1012 C ALA A 67 -3.296 -9.871 2.481 1.00 0.00 C ATOM 1013 O ALA A 67 -4.030 -10.827 2.731 1.00 0.00 O ATOM 1014 CB ALA A 67 -3.079 -8.196 0.581 1.00 0.00 C ATOM 0 H ALA A 67 -3.239 -6.740 2.545 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.882 -8.830 1.514 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.090 -9.011 -0.142 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.539 -7.312 0.139 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.049 -7.969 0.857 1.00 0.00 H new ATOM 1020 N VAL A 68 -1.997 -9.835 2.737 1.00 0.00 N ATOM 1021 CA VAL A 68 -1.324 -10.964 3.357 1.00 0.00 C ATOM 1022 C VAL A 68 -1.817 -11.119 4.796 1.00 0.00 C ATOM 1023 O VAL A 68 -1.876 -12.230 5.320 1.00 0.00 O ATOM 1024 CB VAL A 68 0.192 -10.788 3.260 1.00 0.00 C ATOM 1025 CG1 VAL A 68 0.922 -12.035 3.761 1.00 0.00 C ATOM 1026 CG2 VAL A 68 0.613 -10.443 1.830 1.00 0.00 C ATOM 0 H VAL A 68 -1.392 -9.041 2.526 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.564 -11.887 2.830 1.00 0.00 H new ATOM 0 HB VAL A 68 0.474 -9.954 3.903 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.998 -11.883 3.681 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.658 -12.218 4.803 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.631 -12.894 3.157 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.696 -10.323 1.788 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.311 -11.246 1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.133 -9.514 1.524 1.00 0.00 H new ATOM 1036 N GLY A 69 -2.159 -9.988 5.396 1.00 0.00 N ATOM 1037 CA GLY A 69 -2.645 -9.984 6.765 1.00 0.00 C ATOM 1038 C GLY A 69 -3.701 -11.070 6.976 1.00 0.00 C ATOM 1039 O GLY A 69 -3.548 -11.932 7.841 1.00 0.00 O ATOM 0 H GLY A 69 -2.109 -9.068 4.959 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.813 -10.143 7.450 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.070 -9.008 7.001 1.00 0.00 H new ATOM 1043 N LEU A 70 -4.750 -10.995 6.171 1.00 0.00 N ATOM 1044 CA LEU A 70 -5.831 -11.962 6.258 1.00 0.00 C ATOM 1045 C LEU A 70 -5.335 -13.322 5.763 1.00 0.00 C ATOM 1046 O LEU A 70 -5.405 -14.313 6.488 1.00 0.00 O ATOM 1047 CB LEU A 70 -7.068 -11.452 5.515 1.00 0.00 C ATOM 1048 CG LEU A 70 -8.179 -10.863 6.387 1.00 0.00 C ATOM 1049 CD1 LEU A 70 -9.007 -11.970 7.041 1.00 0.00 C ATOM 1050 CD2 LEU A 70 -7.607 -9.888 7.419 1.00 0.00 C ATOM 0 H LEU A 70 -4.875 -10.279 5.455 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.141 -12.093 7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.751 -10.691 4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.486 -12.276 4.937 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.852 -10.294 5.746 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.790 -11.524 7.655 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.461 -12.590 6.268 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.361 -12.586 7.667 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.417 -9.484 8.026 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.899 -10.412 8.061 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.097 -9.073 6.906 1.00 0.00 H new ATOM 1062 N GLY A 71 -4.844 -13.325 4.533 1.00 0.00 N ATOM 1063 CA GLY A 71 -4.336 -14.547 3.933 1.00 0.00 C ATOM 1064 C GLY A 71 -3.587 -15.394 4.964 1.00 0.00 C ATOM 1065 O GLY A 71 -3.697 -16.619 4.964 1.00 0.00 O ATOM 0 H GLY A 71 -4.787 -12.501 3.935 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.162 -15.122 3.516 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.670 -14.301 3.106 1.00 0.00 H new ATOM 1069 N LEU A 72 -2.843 -14.707 5.818 1.00 0.00 N ATOM 1070 CA LEU A 72 -2.076 -15.380 6.853 1.00 0.00 C ATOM 1071 C LEU A 72 -3.036 -16.001 7.870 1.00 0.00 C ATOM 1072 O LEU A 72 -3.096 -17.222 8.008 1.00 0.00 O ATOM 1073 CB LEU A 72 -1.057 -14.422 7.473 1.00 0.00 C ATOM 1074 CG LEU A 72 0.413 -14.823 7.330 1.00 0.00 C ATOM 1075 CD1 LEU A 72 1.327 -13.807 8.018 1.00 0.00 C ATOM 1076 CD2 LEU A 72 0.646 -16.245 7.845 1.00 0.00 C ATOM 0 H LEU A 72 -2.755 -13.691 5.815 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.492 -16.196 6.426 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.191 -13.439 7.022 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.284 -14.319 8.534 1.00 0.00 H new ATOM 0 HG LEU A 72 0.667 -14.819 6.270 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.366 -14.115 7.902 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.187 -12.826 7.565 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.080 -13.755 9.078 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.698 -16.505 7.732 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.370 -16.300 8.898 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.036 -16.944 7.273 1.00 0.00 H new ATOM 1088 N TYR A 73 -3.762 -15.132 8.557 1.00 0.00 N ATOM 1089 CA TYR A 73 -4.716 -15.580 9.559 1.00 0.00 C ATOM 1090 C TYR A 73 -5.417 -16.863 9.112 1.00 0.00 C ATOM 1091 O TYR A 73 -5.628 -17.772 9.914 1.00 0.00 O ATOM 1092 CB TYR A 73 -5.753 -14.462 9.682 1.00 0.00 C ATOM 1093 CG TYR A 73 -7.103 -14.925 10.233 1.00 0.00 C ATOM 1094 CD1 TYR A 73 -8.049 -15.458 9.382 1.00 0.00 C ATOM 1095 CD2 TYR A 73 -7.375 -14.808 11.581 1.00 0.00 C ATOM 1096 CE1 TYR A 73 -9.321 -15.893 9.900 1.00 0.00 C ATOM 1097 CE2 TYR A 73 -8.646 -15.244 12.100 1.00 0.00 C ATOM 1098 CZ TYR A 73 -9.556 -15.765 11.234 1.00 0.00 C ATOM 1099 OH TYR A 73 -10.756 -16.176 11.723 1.00 0.00 O ATOM 0 H TYR A 73 -3.710 -14.120 8.440 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.213 -15.789 10.503 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.356 -13.681 10.331 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.907 -14.013 8.701 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.836 -15.549 8.327 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -6.635 -14.389 12.247 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -10.071 -16.311 9.245 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -8.871 -15.159 13.153 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.784 -16.026 12.691 1.00 0.00 H new ATOM 1109 N VAL A 74 -5.760 -16.898 7.832 1.00 0.00 N ATOM 1110 CA VAL A 74 -6.433 -18.056 7.269 1.00 0.00 C ATOM 1111 C VAL A 74 -5.464 -19.240 7.238 1.00 0.00 C ATOM 1112 O VAL A 74 -5.701 -20.257 7.888 1.00 0.00 O ATOM 1113 CB VAL A 74 -7.001 -17.712 5.891 1.00 0.00 C ATOM 1114 CG1 VAL A 74 -7.653 -18.937 5.244 1.00 0.00 C ATOM 1115 CG2 VAL A 74 -7.990 -16.548 5.980 1.00 0.00 C ATOM 0 H VAL A 74 -5.584 -16.143 7.169 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.279 -18.346 7.892 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.172 -17.399 5.256 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.048 -18.664 4.266 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.910 -19.726 5.128 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -8.465 -19.294 5.877 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.379 -16.324 4.987 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.814 -16.820 6.639 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.483 -15.669 6.378 1.00 0.00 H new ATOM 1125 N MET A 75 -4.394 -19.068 6.476 1.00 0.00 N ATOM 1126 CA MET A 75 -3.389 -20.109 6.352 1.00 0.00 C ATOM 1127 C MET A 75 -2.982 -20.645 7.727 1.00 0.00 C ATOM 1128 O MET A 75 -2.490 -21.766 7.839 1.00 0.00 O ATOM 1129 CB MET A 75 -2.157 -19.547 5.639 1.00 0.00 C ATOM 1130 CG MET A 75 -1.555 -20.583 4.687 1.00 0.00 C ATOM 1131 SD MET A 75 -0.034 -21.225 5.366 1.00 0.00 S ATOM 1132 CE MET A 75 1.085 -19.907 4.921 1.00 0.00 C ATOM 0 H MET A 75 -4.201 -18.223 5.938 1.00 0.00 H new ATOM 0 HA MET A 75 -3.813 -20.930 5.773 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.432 -18.652 5.081 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.411 -19.248 6.375 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.263 -21.396 4.526 1.00 0.00 H new ATOM 0 HG3 MET A 75 -1.366 -20.129 3.715 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.088 -20.147 5.272 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.098 -19.791 3.837 1.00 0.00 H new ATOM 0 HE3 MET A 75 0.753 -18.977 5.381 1.00 0.00 H new ATOM 1142 N PHE A 76 -3.203 -19.818 8.738 1.00 0.00 N ATOM 1143 CA PHE A 76 -2.867 -20.195 10.100 1.00 0.00 C ATOM 1144 C PHE A 76 -4.081 -20.781 10.823 1.00 0.00 C ATOM 1145 O PHE A 76 -3.936 -21.632 11.699 1.00 0.00 O ATOM 1146 CB PHE A 76 -2.424 -18.920 10.821 1.00 0.00 C ATOM 1147 CG PHE A 76 -1.208 -19.110 11.731 1.00 0.00 C ATOM 1148 CD1 PHE A 76 -1.257 -20.005 12.753 1.00 0.00 C ATOM 1149 CD2 PHE A 76 -0.079 -18.383 11.516 1.00 0.00 C ATOM 1150 CE1 PHE A 76 -0.129 -20.181 13.597 1.00 0.00 C ATOM 1151 CE2 PHE A 76 1.050 -18.558 12.360 1.00 0.00 C ATOM 1152 CZ PHE A 76 1.001 -19.454 13.383 1.00 0.00 C ATOM 0 H PHE A 76 -3.611 -18.888 8.641 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.083 -20.952 10.093 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -2.193 -18.156 10.078 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.256 -18.544 11.417 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.154 -20.582 12.923 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.041 -17.673 10.703 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.168 -20.892 14.409 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.947 -17.980 12.190 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.859 -19.588 14.025 1.00 0.00 H new ATOM 1162 N ALA A 77 -5.251 -20.300 10.430 1.00 0.00 N ATOM 1163 CA ALA A 77 -6.491 -20.765 11.031 1.00 0.00 C ATOM 1164 C ALA A 77 -6.694 -22.243 10.691 1.00 0.00 C ATOM 1165 O ALA A 77 -6.917 -23.063 11.581 1.00 0.00 O ATOM 1166 CB ALA A 77 -7.651 -19.892 10.548 1.00 0.00 C ATOM 0 H ALA A 77 -5.367 -19.594 9.703 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.447 -20.679 12.117 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.581 -20.240 10.998 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.473 -18.857 10.839 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.727 -19.956 9.463 1.00 0.00 H new ATOM 1172 N VAL A 78 -6.610 -22.539 9.403 1.00 0.00 N ATOM 1173 CA VAL A 78 -6.781 -23.903 8.935 1.00 0.00 C ATOM 1174 C VAL A 78 -5.717 -24.796 9.577 1.00 0.00 C ATOM 1175 O VAL A 78 -6.028 -25.872 10.085 1.00 0.00 O ATOM 1176 CB VAL A 78 -6.749 -23.940 7.406 1.00 0.00 C ATOM 1177 CG1 VAL A 78 -5.412 -23.423 6.872 1.00 0.00 C ATOM 1178 CG2 VAL A 78 -7.038 -25.350 6.885 1.00 0.00 C ATOM 0 H VAL A 78 -6.425 -21.856 8.668 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.755 -24.290 9.236 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.534 -23.279 7.039 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.416 -23.460 5.783 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.263 -22.394 7.199 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.603 -24.046 7.253 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.009 -25.348 5.795 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.286 -26.040 7.267 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.025 -25.667 7.221 1.00 0.00 H new ATOM 1188 N ALA A 79 -4.483 -24.315 9.533 1.00 0.00 N ATOM 1189 CA ALA A 79 -3.371 -25.056 10.105 1.00 0.00 C ATOM 1190 C ALA A 79 -3.640 -25.307 11.590 1.00 0.00 C ATOM 1191 O ALA A 79 -2.707 -25.415 12.384 1.00 0.00 O ATOM 1192 CB ALA A 79 -2.070 -24.286 9.870 1.00 0.00 C ATOM 0 H ALA A 79 -4.229 -23.422 9.111 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.268 -26.027 9.621 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.236 -24.841 10.299 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.910 -24.160 8.799 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.136 -23.307 10.344 1.00 0.00 H new TER 1198 ALA A 79