USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 617 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -138:sc= 1.39 (180deg=-0.344) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot -49:sc= 0.0135 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 : amide:sc= 0.152 K(o=0.15,f=-1.5) USER MOD Single : A 51 THR OG1 : rot 78:sc= 1.26 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=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 14.867 -25.589 -3.502 1.00 0.00 N ATOM 2 CA MET A 1 13.621 -25.772 -4.281 1.00 0.00 C ATOM 3 C MET A 1 13.608 -27.178 -4.950 1.00 0.00 C ATOM 4 O MET A 1 14.273 -27.408 -5.963 1.00 0.00 O ATOM 5 CB MET A 1 13.340 -24.567 -5.222 1.00 0.00 C ATOM 6 CG MET A 1 14.318 -24.259 -6.378 1.00 0.00 C ATOM 7 SD MET A 1 15.915 -23.696 -5.751 1.00 0.00 S ATOM 8 CE MET A 1 16.811 -23.486 -7.300 1.00 0.00 C ATOM 0 H1 MET A 1 14.646 -25.128 -2.596 1.00 0.00 H new ATOM 0 H2 MET A 1 15.303 -26.516 -3.321 1.00 0.00 H new ATOM 0 H3 MET A 1 15.529 -24.994 -4.040 1.00 0.00 H new ATOM 0 HA MET A 1 12.762 -25.766 -3.611 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.354 -24.718 -5.660 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.279 -23.674 -4.600 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.458 -25.152 -6.987 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.889 -23.495 -7.027 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.823 -23.140 -7.091 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.855 -24.439 -7.827 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.297 -22.752 -7.921 1.00 0.00 H new ATOM 19 N GLU A 2 12.856 -28.128 -4.356 1.00 0.00 N ATOM 20 CA GLU A 2 12.727 -29.518 -4.884 1.00 0.00 C ATOM 21 C GLU A 2 11.219 -29.903 -5.006 1.00 0.00 C ATOM 22 O GLU A 2 10.691 -29.932 -6.120 1.00 0.00 O ATOM 23 CB GLU A 2 13.581 -30.526 -4.055 1.00 0.00 C ATOM 24 CG GLU A 2 15.113 -30.366 -4.201 1.00 0.00 C ATOM 25 CD GLU A 2 15.904 -31.394 -3.391 1.00 0.00 C ATOM 26 OE1 GLU A 2 16.315 -32.454 -3.855 1.00 0.00 O ATOM 27 OE2 GLU A 2 16.098 -30.998 -2.097 1.00 0.00 O ATOM 0 H GLU A 2 12.322 -27.963 -3.503 1.00 0.00 H new ATOM 0 HA GLU A 2 13.141 -29.566 -5.891 1.00 0.00 H new ATOM 0 HB2 GLU A 2 13.319 -30.420 -3.002 1.00 0.00 H new ATOM 0 HB3 GLU A 2 13.308 -31.539 -4.351 1.00 0.00 H new ATOM 0 HG2 GLU A 2 15.383 -30.456 -5.253 1.00 0.00 H new ATOM 0 HG3 GLU A 2 15.399 -29.364 -3.883 1.00 0.00 H new ATOM 35 N ASN A 3 10.527 -30.182 -3.882 1.00 0.00 N ATOM 36 CA ASN A 3 9.052 -30.401 -3.847 1.00 0.00 C ATOM 37 C ASN A 3 8.405 -29.963 -2.501 1.00 0.00 C ATOM 38 O ASN A 3 7.427 -29.214 -2.491 1.00 0.00 O ATOM 39 CB ASN A 3 8.654 -31.833 -4.310 1.00 0.00 C ATOM 40 CG ASN A 3 7.162 -31.992 -4.648 1.00 0.00 C ATOM 41 OD1 ASN A 3 6.641 -31.372 -5.571 1.00 0.00 O ATOM 42 ND2 ASN A 3 6.434 -32.809 -3.913 1.00 0.00 N ATOM 0 H ASN A 3 10.970 -30.264 -2.967 1.00 0.00 H new ATOM 0 HA ASN A 3 8.619 -29.730 -4.589 1.00 0.00 H new ATOM 0 HB2 ASN A 3 9.244 -32.097 -5.188 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.915 -32.543 -3.525 1.00 0.00 H new ATOM 0 HD21 ASN A 3 5.440 -32.925 -4.112 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.864 -33.325 -3.146 1.00 0.00 H new ATOM 49 N LEU A 4 8.982 -30.409 -1.378 1.00 0.00 N ATOM 50 CA LEU A 4 8.675 -29.880 -0.014 1.00 0.00 C ATOM 51 C LEU A 4 9.033 -28.364 0.150 1.00 0.00 C ATOM 52 O LEU A 4 8.155 -27.579 0.510 1.00 0.00 O ATOM 53 CB LEU A 4 9.328 -30.827 1.039 1.00 0.00 C ATOM 54 CG LEU A 4 8.788 -30.764 2.498 1.00 0.00 C ATOM 55 CD1 LEU A 4 9.209 -32.026 3.279 1.00 0.00 C ATOM 56 CD2 LEU A 4 9.251 -29.523 3.286 1.00 0.00 C ATOM 0 H LEU A 4 9.681 -31.151 -1.375 1.00 0.00 H new ATOM 0 HA LEU A 4 7.598 -29.889 0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.217 -31.852 0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 4 10.396 -30.613 1.067 1.00 0.00 H new ATOM 0 HG LEU A 4 7.704 -30.701 2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.825 -31.969 4.297 1.00 0.00 H new ATOM 0 HD12 LEU A 4 8.803 -32.910 2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 4 10.297 -32.092 3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.832 -29.554 4.292 1.00 0.00 H new ATOM 0 HD22 LEU A 4 10.339 -29.515 3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.909 -28.621 2.778 1.00 0.00 H new ATOM 68 N ASN A 5 10.275 -27.941 -0.173 1.00 0.00 N ATOM 69 CA ASN A 5 10.641 -26.497 -0.294 1.00 0.00 C ATOM 70 C ASN A 5 9.841 -25.664 -1.359 1.00 0.00 C ATOM 71 O ASN A 5 9.545 -24.498 -1.096 1.00 0.00 O ATOM 72 CB ASN A 5 12.182 -26.416 -0.488 1.00 0.00 C ATOM 73 CG ASN A 5 12.784 -25.009 -0.318 1.00 0.00 C ATOM 74 OD1 ASN A 5 12.854 -24.223 -1.258 1.00 0.00 O ATOM 75 ND2 ASN A 5 13.218 -24.650 0.874 1.00 0.00 N ATOM 0 H ASN A 5 11.051 -28.577 -0.357 1.00 0.00 H new ATOM 0 HA ASN A 5 10.338 -26.005 0.630 1.00 0.00 H new ATOM 0 HB2 ASN A 5 12.659 -27.088 0.225 1.00 0.00 H new ATOM 0 HB3 ASN A 5 12.428 -26.782 -1.485 1.00 0.00 H new ATOM 0 HD21 ASN A 5 13.612 -23.720 1.015 1.00 0.00 H new ATOM 0 HD22 ASN A 5 13.160 -25.303 1.656 1.00 0.00 H new ATOM 82 N MET A 6 9.454 -26.250 -2.513 1.00 0.00 N ATOM 83 CA MET A 6 8.467 -25.627 -3.446 1.00 0.00 C ATOM 84 C MET A 6 7.038 -25.423 -2.849 1.00 0.00 C ATOM 85 O MET A 6 6.470 -24.352 -3.056 1.00 0.00 O ATOM 86 CB MET A 6 8.373 -26.412 -4.781 1.00 0.00 C ATOM 87 CG MET A 6 9.647 -26.425 -5.641 1.00 0.00 C ATOM 88 SD MET A 6 9.326 -27.246 -7.218 1.00 0.00 S ATOM 89 CE MET A 6 8.673 -25.886 -8.205 1.00 0.00 C ATOM 0 H MET A 6 9.806 -27.154 -2.828 1.00 0.00 H new ATOM 0 HA MET A 6 8.864 -24.629 -3.630 1.00 0.00 H new ATOM 0 HB2 MET A 6 8.099 -27.443 -4.556 1.00 0.00 H new ATOM 0 HB3 MET A 6 7.562 -25.988 -5.373 1.00 0.00 H new ATOM 0 HG2 MET A 6 9.987 -25.404 -5.816 1.00 0.00 H new ATOM 0 HG3 MET A 6 10.448 -26.941 -5.110 1.00 0.00 H new ATOM 0 HE1 MET A 6 8.431 -26.246 -9.205 1.00 0.00 H new ATOM 0 HE2 MET A 6 7.773 -25.493 -7.733 1.00 0.00 H new ATOM 0 HE3 MET A 6 9.420 -25.096 -8.275 1.00 0.00 H new ATOM 99 N ASP A 7 6.490 -26.400 -2.095 1.00 0.00 N ATOM 100 CA ASP A 7 5.252 -26.239 -1.289 1.00 0.00 C ATOM 101 C ASP A 7 5.331 -25.160 -0.161 1.00 0.00 C ATOM 102 O ASP A 7 4.371 -24.414 0.028 1.00 0.00 O ATOM 103 CB ASP A 7 4.853 -27.633 -0.739 1.00 0.00 C ATOM 104 CG ASP A 7 3.429 -27.707 -0.175 1.00 0.00 C ATOM 105 OD1 ASP A 7 2.418 -27.701 -0.873 1.00 0.00 O ATOM 106 OD2 ASP A 7 3.415 -27.758 1.191 1.00 0.00 O ATOM 0 H ASP A 7 6.896 -27.333 -2.025 1.00 0.00 H new ATOM 0 HA ASP A 7 4.478 -25.847 -1.949 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.953 -28.368 -1.538 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.556 -27.916 0.044 1.00 0.00 H new ATOM 112 N LEU A 8 6.465 -25.063 0.554 1.00 0.00 N ATOM 113 CA LEU A 8 6.738 -23.946 1.500 1.00 0.00 C ATOM 114 C LEU A 8 6.765 -22.519 0.852 1.00 0.00 C ATOM 115 O LEU A 8 6.136 -21.598 1.386 1.00 0.00 O ATOM 116 CB LEU A 8 8.035 -24.219 2.319 1.00 0.00 C ATOM 117 CG LEU A 8 8.031 -25.428 3.296 1.00 0.00 C ATOM 118 CD1 LEU A 8 9.448 -25.681 3.845 1.00 0.00 C ATOM 119 CD2 LEU A 8 7.052 -25.250 4.474 1.00 0.00 C ATOM 0 H LEU A 8 7.219 -25.747 0.500 1.00 0.00 H new ATOM 0 HA LEU A 8 5.881 -23.927 2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.854 -24.361 1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.263 -23.322 2.896 1.00 0.00 H new ATOM 0 HG LEU A 8 7.692 -26.287 2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.427 -26.531 4.527 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.125 -25.896 3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.795 -24.796 4.378 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.096 -26.127 5.119 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.328 -24.364 5.046 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.039 -25.132 4.090 1.00 0.00 H new ATOM 131 N LEU A 9 7.461 -22.346 -0.293 1.00 0.00 N ATOM 132 CA LEU A 9 7.522 -21.065 -1.043 1.00 0.00 C ATOM 133 C LEU A 9 6.156 -20.662 -1.693 1.00 0.00 C ATOM 134 O LEU A 9 5.672 -19.559 -1.436 1.00 0.00 O ATOM 135 CB LEU A 9 8.725 -21.106 -2.040 1.00 0.00 C ATOM 136 CG LEU A 9 9.646 -19.855 -2.052 1.00 0.00 C ATOM 137 CD1 LEU A 9 10.913 -20.123 -2.888 1.00 0.00 C ATOM 138 CD2 LEU A 9 8.959 -18.576 -2.564 1.00 0.00 C ATOM 0 H LEU A 9 8.001 -23.094 -0.728 1.00 0.00 H new ATOM 0 HA LEU A 9 7.707 -20.254 -0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.335 -21.979 -1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.332 -21.252 -3.046 1.00 0.00 H new ATOM 0 HG LEU A 9 9.907 -19.677 -1.009 1.00 0.00 H new ATOM 0 HD11 LEU A 9 11.546 -19.235 -2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 9 11.462 -20.961 -2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 9 10.629 -20.362 -3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.668 -17.748 -2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.616 -18.732 -3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.106 -18.341 -1.927 1.00 0.00 H new ATOM 150 N TYR A 10 5.510 -21.576 -2.455 1.00 0.00 N ATOM 151 CA TYR A 10 4.045 -21.577 -2.745 1.00 0.00 C ATOM 152 C TYR A 10 3.104 -21.068 -1.615 1.00 0.00 C ATOM 153 O TYR A 10 2.342 -20.129 -1.849 1.00 0.00 O ATOM 154 CB TYR A 10 3.697 -23.041 -3.174 1.00 0.00 C ATOM 155 CG TYR A 10 2.209 -23.457 -3.224 1.00 0.00 C ATOM 156 CD1 TYR A 10 1.390 -23.043 -4.273 1.00 0.00 C ATOM 157 CD2 TYR A 10 1.664 -24.248 -2.201 1.00 0.00 C ATOM 158 CE1 TYR A 10 0.047 -23.408 -4.299 1.00 0.00 C ATOM 159 CE2 TYR A 10 0.316 -24.593 -2.218 1.00 0.00 C ATOM 160 CZ TYR A 10 -0.494 -24.163 -3.262 1.00 0.00 C ATOM 161 OH TYR A 10 -1.826 -24.483 -3.276 1.00 0.00 O ATOM 0 H TYR A 10 5.999 -22.354 -2.898 1.00 0.00 H new ATOM 0 HA TYR A 10 3.859 -20.841 -3.527 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.122 -23.207 -4.164 1.00 0.00 H new ATOM 0 HB3 TYR A 10 4.209 -23.718 -2.490 1.00 0.00 H new ATOM 0 HD1 TYR A 10 1.799 -22.437 -5.068 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.295 -24.591 -1.395 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.577 -23.105 -5.126 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.099 -25.193 -1.422 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.354 -23.676 -3.451 1.00 0.00 H new ATOM 171 N MET A 11 3.117 -21.730 -0.440 1.00 0.00 N ATOM 172 CA MET A 11 2.133 -21.476 0.628 1.00 0.00 C ATOM 173 C MET A 11 2.302 -20.065 1.280 1.00 0.00 C ATOM 174 O MET A 11 1.313 -19.340 1.376 1.00 0.00 O ATOM 175 CB MET A 11 2.165 -22.651 1.640 1.00 0.00 C ATOM 176 CG MET A 11 1.014 -22.656 2.662 1.00 0.00 C ATOM 177 SD MET A 11 1.168 -24.104 3.724 1.00 0.00 S ATOM 178 CE MET A 11 -0.265 -23.869 4.791 1.00 0.00 C ATOM 0 H MET A 11 3.803 -22.448 -0.208 1.00 0.00 H new ATOM 0 HA MET A 11 1.133 -21.442 0.195 1.00 0.00 H new ATOM 0 HB2 MET A 11 2.144 -23.589 1.086 1.00 0.00 H new ATOM 0 HB3 MET A 11 3.111 -22.621 2.180 1.00 0.00 H new ATOM 0 HG2 MET A 11 1.041 -21.746 3.262 1.00 0.00 H new ATOM 0 HG3 MET A 11 0.054 -22.669 2.146 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.319 -24.684 5.513 1.00 0.00 H new ATOM 0 HE2 MET A 11 -0.173 -22.921 5.321 1.00 0.00 H new ATOM 0 HE3 MET A 11 -1.172 -23.860 4.186 1.00 0.00 H new ATOM 188 N ALA A 12 3.538 -19.650 1.640 1.00 0.00 N ATOM 189 CA ALA A 12 3.879 -18.232 1.909 1.00 0.00 C ATOM 190 C ALA A 12 3.531 -17.174 0.814 1.00 0.00 C ATOM 191 O ALA A 12 3.138 -16.070 1.181 1.00 0.00 O ATOM 192 CB ALA A 12 5.374 -18.185 2.278 1.00 0.00 C ATOM 0 H ALA A 12 4.327 -20.287 1.752 1.00 0.00 H new ATOM 0 HA ALA A 12 3.224 -17.918 2.722 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.666 -17.155 2.484 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.550 -18.796 3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.966 -18.571 1.448 1.00 0.00 H new ATOM 198 N ALA A 13 3.639 -17.491 -0.491 1.00 0.00 N ATOM 199 CA ALA A 13 3.174 -16.625 -1.600 1.00 0.00 C ATOM 200 C ALA A 13 1.630 -16.526 -1.781 1.00 0.00 C ATOM 201 O ALA A 13 1.113 -15.413 -1.836 1.00 0.00 O ATOM 202 CB ALA A 13 3.932 -17.109 -2.847 1.00 0.00 C ATOM 0 H ALA A 13 4.056 -18.365 -0.812 1.00 0.00 H new ATOM 0 HA ALA A 13 3.404 -15.583 -1.377 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.636 -16.510 -3.708 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.005 -17.004 -2.684 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.694 -18.156 -3.034 1.00 0.00 H new ATOM 208 N ALA A 14 0.882 -17.640 -1.799 1.00 0.00 N ATOM 209 CA ALA A 14 -0.598 -17.644 -1.573 1.00 0.00 C ATOM 210 C ALA A 14 -1.126 -16.917 -0.291 1.00 0.00 C ATOM 211 O ALA A 14 -2.075 -16.133 -0.379 1.00 0.00 O ATOM 212 CB ALA A 14 -1.111 -19.089 -1.669 1.00 0.00 C ATOM 0 H ALA A 14 1.271 -18.568 -1.969 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.014 -17.023 -2.367 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.189 -19.104 -1.506 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.888 -19.489 -2.658 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.621 -19.700 -0.911 1.00 0.00 H new ATOM 218 N VAL A 15 -0.468 -17.102 0.870 1.00 0.00 N ATOM 219 CA VAL A 15 -0.635 -16.216 2.063 1.00 0.00 C ATOM 220 C VAL A 15 -0.305 -14.701 1.778 1.00 0.00 C ATOM 221 O VAL A 15 -1.111 -13.835 2.127 1.00 0.00 O ATOM 222 CB VAL A 15 0.062 -16.827 3.325 1.00 0.00 C ATOM 223 CG1 VAL A 15 0.114 -15.902 4.566 1.00 0.00 C ATOM 224 CG2 VAL A 15 -0.567 -18.164 3.793 1.00 0.00 C ATOM 0 H VAL A 15 0.194 -17.864 1.018 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.698 -16.186 2.302 1.00 0.00 H new ATOM 0 HB VAL A 15 1.076 -16.982 2.956 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.616 -16.419 5.384 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.663 -14.993 4.320 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.900 -15.642 4.869 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.034 -18.529 4.671 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.615 -18.004 4.045 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.494 -18.900 2.992 1.00 0.00 H new ATOM 234 N MET A 16 0.837 -14.390 1.132 1.00 0.00 N ATOM 235 CA MET A 16 1.194 -13.013 0.677 1.00 0.00 C ATOM 236 C MET A 16 0.202 -12.334 -0.329 1.00 0.00 C ATOM 237 O MET A 16 -0.060 -11.146 -0.151 1.00 0.00 O ATOM 238 CB MET A 16 2.660 -13.034 0.162 1.00 0.00 C ATOM 239 CG MET A 16 3.315 -11.668 -0.116 1.00 0.00 C ATOM 240 SD MET A 16 3.234 -10.587 1.330 1.00 0.00 S ATOM 241 CE MET A 16 4.616 -11.191 2.318 1.00 0.00 C ATOM 0 H MET A 16 1.548 -15.085 0.906 1.00 0.00 H new ATOM 0 HA MET A 16 1.101 -12.361 1.545 1.00 0.00 H new ATOM 0 HB2 MET A 16 3.271 -13.561 0.895 1.00 0.00 H new ATOM 0 HB3 MET A 16 2.689 -13.619 -0.757 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.356 -11.815 -0.404 1.00 0.00 H new ATOM 0 HG3 MET A 16 2.816 -11.189 -0.958 1.00 0.00 H new ATOM 0 HE1 MET A 16 4.684 -10.614 3.240 1.00 0.00 H new ATOM 0 HE2 MET A 16 4.459 -12.242 2.559 1.00 0.00 H new ATOM 0 HE3 MET A 16 5.542 -11.083 1.753 1.00 0.00 H new ATOM 251 N MET A 17 -0.374 -13.034 -1.330 1.00 0.00 N ATOM 252 CA MET A 17 -1.564 -12.507 -2.091 1.00 0.00 C ATOM 253 C MET A 17 -2.919 -12.379 -1.314 1.00 0.00 C ATOM 254 O MET A 17 -3.731 -11.525 -1.685 1.00 0.00 O ATOM 255 CB MET A 17 -1.777 -13.191 -3.467 1.00 0.00 C ATOM 256 CG MET A 17 -2.251 -14.650 -3.474 1.00 0.00 C ATOM 257 SD MET A 17 -4.020 -14.777 -3.141 1.00 0.00 S ATOM 258 CE MET A 17 -4.242 -16.557 -3.317 1.00 0.00 C ATOM 0 H MET A 17 -0.053 -13.952 -1.638 1.00 0.00 H new ATOM 0 HA MET A 17 -1.254 -11.475 -2.256 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.503 -12.600 -4.026 1.00 0.00 H new ATOM 0 HB3 MET A 17 -0.836 -13.142 -4.015 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.029 -15.100 -4.442 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.698 -15.216 -2.725 1.00 0.00 H new ATOM 0 HE1 MET A 17 -5.287 -16.812 -3.143 1.00 0.00 H new ATOM 0 HE2 MET A 17 -3.957 -16.861 -4.324 1.00 0.00 H new ATOM 0 HE3 MET A 17 -3.616 -17.075 -2.591 1.00 0.00 H new ATOM 268 N GLY A 18 -3.171 -13.174 -0.257 1.00 0.00 N ATOM 269 CA GLY A 18 -4.310 -12.920 0.676 1.00 0.00 C ATOM 270 C GLY A 18 -4.194 -11.702 1.631 1.00 0.00 C ATOM 271 O GLY A 18 -5.190 -11.025 1.889 1.00 0.00 O ATOM 0 H GLY A 18 -2.612 -13.994 -0.020 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.213 -12.795 0.079 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.452 -13.813 1.285 1.00 0.00 H new ATOM 275 N LEU A 19 -2.978 -11.426 2.130 1.00 0.00 N ATOM 276 CA LEU A 19 -2.617 -10.198 2.890 1.00 0.00 C ATOM 277 C LEU A 19 -3.164 -8.811 2.362 1.00 0.00 C ATOM 278 O LEU A 19 -3.829 -8.160 3.173 1.00 0.00 O ATOM 279 CB LEU A 19 -1.071 -10.270 3.061 1.00 0.00 C ATOM 280 CG LEU A 19 -0.407 -9.217 3.989 1.00 0.00 C ATOM 281 CD1 LEU A 19 -0.788 -9.405 5.470 1.00 0.00 C ATOM 282 CD2 LEU A 19 1.124 -9.255 3.836 1.00 0.00 C ATOM 0 H LEU A 19 -2.190 -12.064 2.017 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.143 -10.205 3.845 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.819 -11.260 3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.618 -10.183 2.073 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.785 -8.243 3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.295 -8.642 6.072 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.868 -9.314 5.582 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.470 -10.392 5.805 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.574 -8.511 4.493 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.492 -10.245 4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.392 -9.036 2.802 1.00 0.00 H new ATOM 294 N PRO A 20 -2.990 -8.320 1.092 1.00 0.00 N ATOM 295 CA PRO A 20 -3.687 -7.106 0.570 1.00 0.00 C ATOM 296 C PRO A 20 -5.247 -7.058 0.608 1.00 0.00 C ATOM 297 O PRO A 20 -5.788 -5.963 0.781 1.00 0.00 O ATOM 298 CB PRO A 20 -3.163 -7.011 -0.868 1.00 0.00 C ATOM 299 CG PRO A 20 -2.672 -8.396 -1.253 1.00 0.00 C ATOM 300 CD PRO A 20 -2.148 -8.955 0.064 1.00 0.00 C ATOM 0 HA PRO A 20 -3.464 -6.266 1.228 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -3.951 -6.679 -1.544 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.355 -6.282 -0.937 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.475 -9.010 -1.660 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.890 -8.350 -2.011 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.233 -10.041 0.096 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.095 -8.713 0.208 1.00 0.00 H new ATOM 308 N ALA A 21 -5.961 -8.199 0.464 1.00 0.00 N ATOM 309 CA ALA A 21 -7.444 -8.247 0.627 1.00 0.00 C ATOM 310 C ALA A 21 -8.024 -7.799 2.010 1.00 0.00 C ATOM 311 O ALA A 21 -9.106 -7.209 2.046 1.00 0.00 O ATOM 312 CB ALA A 21 -7.919 -9.661 0.246 1.00 0.00 C ATOM 0 H ALA A 21 -5.541 -9.100 0.236 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.843 -7.485 -0.042 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.002 -9.723 0.357 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.647 -9.870 -0.789 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.445 -10.393 0.900 1.00 0.00 H new ATOM 318 N ILE A 22 -7.296 -8.027 3.119 1.00 0.00 N ATOM 319 CA ILE A 22 -7.518 -7.301 4.405 1.00 0.00 C ATOM 320 C ILE A 22 -6.752 -5.927 4.397 1.00 0.00 C ATOM 321 O ILE A 22 -7.384 -4.885 4.586 1.00 0.00 O ATOM 322 CB ILE A 22 -7.189 -8.226 5.637 1.00 0.00 C ATOM 323 CG1 ILE A 22 -7.916 -9.608 5.658 1.00 0.00 C ATOM 324 CG2 ILE A 22 -7.391 -7.521 7.004 1.00 0.00 C ATOM 325 CD1 ILE A 22 -9.457 -9.587 5.656 1.00 0.00 C ATOM 0 H ILE A 22 -6.541 -8.712 3.160 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.574 -7.051 4.510 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.129 -8.432 5.489 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.584 -10.179 4.791 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.586 -10.151 6.543 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.147 -8.213 7.810 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.739 -6.650 7.064 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.429 -7.204 7.100 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.835 -10.609 5.672 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -9.815 -9.054 6.537 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.813 -9.082 4.758 1.00 0.00 H new ATOM 337 N GLY A 23 -5.415 -5.923 4.206 1.00 0.00 N ATOM 338 CA GLY A 23 -4.550 -4.738 4.433 1.00 0.00 C ATOM 339 C GLY A 23 -4.769 -3.490 3.553 1.00 0.00 C ATOM 340 O GLY A 23 -5.167 -2.452 4.082 1.00 0.00 O ATOM 0 H GLY A 23 -4.900 -6.744 3.888 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.668 -4.435 5.473 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.514 -5.054 4.309 1.00 0.00 H new ATOM 344 N ALA A 24 -4.494 -3.575 2.240 1.00 0.00 N ATOM 345 CA ALA A 24 -4.701 -2.436 1.298 1.00 0.00 C ATOM 346 C ALA A 24 -6.149 -2.157 0.772 1.00 0.00 C ATOM 347 O ALA A 24 -6.399 -1.064 0.254 1.00 0.00 O ATOM 348 CB ALA A 24 -3.668 -2.561 0.173 1.00 0.00 C ATOM 0 H ALA A 24 -4.127 -4.417 1.796 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.549 -1.535 1.892 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.796 -1.740 -0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.664 -2.523 0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.808 -3.509 -0.346 1.00 0.00 H new ATOM 354 N ALA A 25 -7.110 -3.075 0.984 1.00 0.00 N ATOM 355 CA ALA A 25 -8.568 -2.752 0.961 1.00 0.00 C ATOM 356 C ALA A 25 -9.045 -1.814 2.123 1.00 0.00 C ATOM 357 O ALA A 25 -9.671 -0.783 1.856 1.00 0.00 O ATOM 358 CB ALA A 25 -9.347 -4.080 0.934 1.00 0.00 C ATOM 0 H ALA A 25 -6.911 -4.057 1.176 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.770 -2.168 0.063 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.417 -3.874 0.917 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.072 -4.645 0.043 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.104 -4.663 1.823 1.00 0.00 H new ATOM 364 N ILE A 26 -8.666 -2.114 3.387 1.00 0.00 N ATOM 365 CA ILE A 26 -8.632 -1.108 4.505 1.00 0.00 C ATOM 366 C ILE A 26 -7.729 0.153 4.203 1.00 0.00 C ATOM 367 O ILE A 26 -8.056 1.243 4.680 1.00 0.00 O ATOM 368 CB ILE A 26 -8.296 -1.845 5.863 1.00 0.00 C ATOM 369 CG1 ILE A 26 -9.413 -2.856 6.286 1.00 0.00 C ATOM 370 CG2 ILE A 26 -8.008 -0.895 7.060 1.00 0.00 C ATOM 371 CD1 ILE A 26 -9.032 -3.866 7.385 1.00 0.00 C ATOM 0 H ILE A 26 -8.375 -3.049 3.672 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.625 -0.669 4.603 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.374 -2.381 5.638 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.279 -2.288 6.627 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.725 -3.412 5.402 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.788 -1.486 7.949 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.153 -0.262 6.824 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.881 -0.270 7.247 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.883 -4.514 7.595 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.190 -4.471 7.047 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.753 -3.329 8.292 1.00 0.00 H new ATOM 383 N GLY A 27 -6.653 0.033 3.394 1.00 0.00 N ATOM 384 CA GLY A 27 -5.912 1.189 2.828 1.00 0.00 C ATOM 385 C GLY A 27 -6.758 2.236 2.075 1.00 0.00 C ATOM 386 O GLY A 27 -6.858 3.369 2.541 1.00 0.00 O ATOM 0 H GLY A 27 -6.271 -0.870 3.113 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.388 1.692 3.641 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.151 0.808 2.146 1.00 0.00 H new ATOM 390 N ILE A 28 -7.446 1.838 0.986 1.00 0.00 N ATOM 391 CA ILE A 28 -8.519 2.668 0.343 1.00 0.00 C ATOM 392 C ILE A 28 -9.560 3.232 1.379 1.00 0.00 C ATOM 393 O ILE A 28 -9.544 4.437 1.652 1.00 0.00 O ATOM 394 CB ILE A 28 -9.156 1.891 -0.876 1.00 0.00 C ATOM 395 CG1 ILE A 28 -8.162 1.529 -2.020 1.00 0.00 C ATOM 396 CG2 ILE A 28 -10.406 2.575 -1.500 1.00 0.00 C ATOM 397 CD1 ILE A 28 -7.486 2.717 -2.725 1.00 0.00 C ATOM 0 H ILE A 28 -7.286 0.944 0.521 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.060 3.567 -0.070 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.471 0.965 -0.394 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.384 0.885 -1.609 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.697 0.944 -2.768 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -10.775 1.971 -2.329 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.185 2.668 -0.744 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.135 3.566 -1.865 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.817 2.346 -3.502 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.247 3.354 -3.176 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.914 3.294 -1.998 1.00 0.00 H new ATOM 409 N GLY A 29 -10.405 2.367 1.971 1.00 0.00 N ATOM 410 CA GLY A 29 -11.534 2.795 2.843 1.00 0.00 C ATOM 411 C GLY A 29 -11.233 3.658 4.092 1.00 0.00 C ATOM 412 O GLY A 29 -11.829 4.724 4.257 1.00 0.00 O ATOM 0 H GLY A 29 -10.332 1.355 1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -12.237 3.350 2.222 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.048 1.895 3.181 1.00 0.00 H new ATOM 416 N ILE A 30 -10.333 3.186 4.966 1.00 0.00 N ATOM 417 CA ILE A 30 -9.957 3.894 6.229 1.00 0.00 C ATOM 418 C ILE A 30 -8.849 4.968 5.974 1.00 0.00 C ATOM 419 O ILE A 30 -9.015 6.084 6.476 1.00 0.00 O ATOM 420 CB ILE A 30 -9.658 2.854 7.378 1.00 0.00 C ATOM 421 CG1 ILE A 30 -10.910 2.101 7.936 1.00 0.00 C ATOM 422 CG2 ILE A 30 -8.945 3.471 8.613 1.00 0.00 C ATOM 423 CD1 ILE A 30 -11.650 1.140 6.989 1.00 0.00 C ATOM 0 H ILE A 30 -9.837 2.305 4.831 1.00 0.00 H new ATOM 0 HA ILE A 30 -10.803 4.477 6.594 1.00 0.00 H new ATOM 0 HB ILE A 30 -9.007 2.150 6.859 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.596 1.533 8.812 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.625 2.849 8.280 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -8.773 2.695 9.359 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.990 3.897 8.306 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -9.571 4.254 9.041 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -12.494 0.692 7.513 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.012 1.691 6.121 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.968 0.355 6.661 1.00 0.00 H new ATOM 435 N LEU A 31 -7.746 4.686 5.240 1.00 0.00 N ATOM 436 CA LEU A 31 -6.718 5.729 4.934 1.00 0.00 C ATOM 437 C LEU A 31 -7.243 6.804 3.923 1.00 0.00 C ATOM 438 O LEU A 31 -7.059 7.987 4.201 1.00 0.00 O ATOM 439 CB LEU A 31 -5.310 5.156 4.575 1.00 0.00 C ATOM 440 CG LEU A 31 -4.757 4.001 5.468 1.00 0.00 C ATOM 441 CD1 LEU A 31 -3.528 3.302 4.855 1.00 0.00 C ATOM 442 CD2 LEU A 31 -4.437 4.461 6.903 1.00 0.00 C ATOM 0 H LEU A 31 -7.540 3.765 4.852 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.549 6.257 5.872 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.344 4.800 3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.594 5.977 4.605 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.567 3.273 5.516 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.190 2.509 5.522 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.797 2.874 3.889 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.726 4.028 4.719 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.056 3.618 7.479 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.685 5.249 6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.343 4.842 7.374 1.00 0.00 H new ATOM 454 N GLY A 32 -7.968 6.454 2.834 1.00 0.00 N ATOM 455 CA GLY A 32 -8.740 7.453 2.041 1.00 0.00 C ATOM 456 C GLY A 32 -9.927 8.182 2.723 1.00 0.00 C ATOM 457 O GLY A 32 -10.116 9.372 2.466 1.00 0.00 O ATOM 0 H GLY A 32 -8.037 5.499 2.483 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.040 8.213 1.694 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.126 6.947 1.156 1.00 0.00 H new ATOM 461 N GLY A 33 -10.696 7.510 3.602 1.00 0.00 N ATOM 462 CA GLY A 33 -11.671 8.185 4.506 1.00 0.00 C ATOM 463 C GLY A 33 -11.099 9.262 5.463 1.00 0.00 C ATOM 464 O GLY A 33 -11.551 10.410 5.429 1.00 0.00 O ATOM 0 H GLY A 33 -10.666 6.496 3.711 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.441 8.650 3.890 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.163 7.421 5.108 1.00 0.00 H new ATOM 468 N LYS A 34 -10.072 8.910 6.261 1.00 0.00 N ATOM 469 CA LYS A 34 -9.258 9.899 7.034 1.00 0.00 C ATOM 470 C LYS A 34 -8.559 11.031 6.194 1.00 0.00 C ATOM 471 O LYS A 34 -8.553 12.187 6.622 1.00 0.00 O ATOM 472 CB LYS A 34 -8.274 9.094 7.931 1.00 0.00 C ATOM 473 CG LYS A 34 -7.699 9.835 9.163 1.00 0.00 C ATOM 474 CD LYS A 34 -6.401 10.636 8.913 1.00 0.00 C ATOM 475 CE LYS A 34 -5.893 11.446 10.121 1.00 0.00 C ATOM 476 NZ LYS A 34 -5.342 10.589 11.191 1.00 0.00 N ATOM 0 H LYS A 34 -9.776 7.943 6.395 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.943 10.489 7.643 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.786 8.198 8.280 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.440 8.764 7.312 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.459 10.518 9.542 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.508 9.104 9.948 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.618 9.943 8.604 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.568 11.320 8.081 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.125 12.144 9.788 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.712 12.042 10.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.015 11.184 11.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.080 9.940 11.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.542 10.039 10.818 1.00 0.00 H new ATOM 489 N PHE A 35 -8.020 10.727 4.997 1.00 0.00 N ATOM 490 CA PHE A 35 -7.557 11.732 4.000 1.00 0.00 C ATOM 491 C PHE A 35 -8.632 12.768 3.540 1.00 0.00 C ATOM 492 O PHE A 35 -8.309 13.953 3.441 1.00 0.00 O ATOM 493 CB PHE A 35 -6.839 10.959 2.840 1.00 0.00 C ATOM 494 CG PHE A 35 -6.793 11.577 1.427 1.00 0.00 C ATOM 495 CD1 PHE A 35 -5.769 12.452 1.074 1.00 0.00 C ATOM 496 CD2 PHE A 35 -7.789 11.277 0.488 1.00 0.00 C ATOM 497 CE1 PHE A 35 -5.731 13.021 -0.198 1.00 0.00 C ATOM 498 CE2 PHE A 35 -7.749 11.840 -0.786 1.00 0.00 C ATOM 499 CZ PHE A 35 -6.719 12.711 -1.128 1.00 0.00 C ATOM 0 H PHE A 35 -7.889 9.765 4.684 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.842 12.399 4.482 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -5.810 10.784 3.153 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -7.317 9.983 2.754 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.998 12.692 1.791 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -8.592 10.606 0.753 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -4.935 13.702 -0.462 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -8.516 11.601 -1.507 1.00 0.00 H new ATOM 0 HZ PHE A 35 -6.686 13.147 -2.116 1.00 0.00 H new ATOM 509 N LEU A 36 -9.875 12.343 3.255 1.00 0.00 N ATOM 510 CA LEU A 36 -10.995 13.242 2.931 1.00 0.00 C ATOM 511 C LEU A 36 -11.453 14.118 4.147 1.00 0.00 C ATOM 512 O LEU A 36 -11.760 15.292 3.941 1.00 0.00 O ATOM 513 CB LEU A 36 -12.032 12.319 2.215 1.00 0.00 C ATOM 514 CG LEU A 36 -13.420 12.877 1.805 1.00 0.00 C ATOM 515 CD1 LEU A 36 -14.327 12.966 3.039 1.00 0.00 C ATOM 516 CD2 LEU A 36 -13.357 14.205 1.026 1.00 0.00 C ATOM 0 H LEU A 36 -10.132 11.356 3.243 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.747 14.056 2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.556 11.939 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.207 11.463 2.867 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.854 12.172 1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -15.301 13.358 2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -14.451 11.973 3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.875 13.630 3.776 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -14.367 14.529 0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.874 14.965 1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.785 14.062 0.109 1.00 0.00 H new ATOM 528 N GLU A 37 -11.495 13.608 5.399 1.00 0.00 N ATOM 529 CA GLU A 37 -11.587 14.426 6.625 1.00 0.00 C ATOM 530 C GLU A 37 -10.488 15.540 6.780 1.00 0.00 C ATOM 531 O GLU A 37 -10.814 16.664 7.171 1.00 0.00 O ATOM 532 CB GLU A 37 -11.592 13.351 7.748 1.00 0.00 C ATOM 533 CG GLU A 37 -12.022 13.905 9.103 1.00 0.00 C ATOM 534 CD GLU A 37 -11.967 12.882 10.237 1.00 0.00 C ATOM 535 OE1 GLU A 37 -12.949 12.264 10.644 1.00 0.00 O ATOM 536 OE2 GLU A 37 -10.705 12.731 10.741 1.00 0.00 O ATOM 0 H GLU A 37 -11.466 12.606 5.586 1.00 0.00 H new ATOM 0 HA GLU A 37 -12.476 15.056 6.636 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.263 12.540 7.464 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.594 12.922 7.837 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.383 14.750 9.358 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.039 14.288 9.022 1.00 0.00 H new ATOM 544 N GLY A 38 -9.225 15.252 6.399 1.00 0.00 N ATOM 545 CA GLY A 38 -8.218 16.302 6.105 1.00 0.00 C ATOM 546 C GLY A 38 -8.458 17.220 4.879 1.00 0.00 C ATOM 547 O GLY A 38 -8.015 18.369 4.920 1.00 0.00 O ATOM 0 H GLY A 38 -8.875 14.300 6.287 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.132 16.938 6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.254 15.811 5.971 1.00 0.00 H new ATOM 551 N ALA A 39 -9.137 16.746 3.813 1.00 0.00 N ATOM 552 CA ALA A 39 -9.464 17.584 2.622 1.00 0.00 C ATOM 553 C ALA A 39 -10.638 18.588 2.832 1.00 0.00 C ATOM 554 O ALA A 39 -10.572 19.716 2.337 1.00 0.00 O ATOM 555 CB ALA A 39 -9.721 16.656 1.420 1.00 0.00 C ATOM 0 H ALA A 39 -9.474 15.786 3.746 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.602 18.224 2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.961 17.256 0.542 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.828 16.063 1.221 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.555 15.992 1.645 1.00 0.00 H new ATOM 561 N ALA A 40 -11.673 18.200 3.606 1.00 0.00 N ATOM 562 CA ALA A 40 -12.660 19.142 4.195 1.00 0.00 C ATOM 563 C ALA A 40 -12.075 20.293 5.082 1.00 0.00 C ATOM 564 O ALA A 40 -12.536 21.432 4.969 1.00 0.00 O ATOM 565 CB ALA A 40 -13.671 18.271 4.964 1.00 0.00 C ATOM 0 H ALA A 40 -11.852 17.224 3.843 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.122 19.705 3.384 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -14.426 18.909 5.422 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -14.152 17.577 4.275 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.151 17.709 5.740 1.00 0.00 H new ATOM 571 N ARG A 41 -11.042 20.020 5.912 1.00 0.00 N ATOM 572 CA ARG A 41 -10.236 21.068 6.593 1.00 0.00 C ATOM 573 C ARG A 41 -9.381 21.962 5.630 1.00 0.00 C ATOM 574 O ARG A 41 -9.538 23.186 5.637 1.00 0.00 O ATOM 575 CB ARG A 41 -9.414 20.360 7.709 1.00 0.00 C ATOM 576 CG ARG A 41 -8.741 21.280 8.753 1.00 0.00 C ATOM 577 CD ARG A 41 -9.741 21.977 9.692 1.00 0.00 C ATOM 578 NE ARG A 41 -9.015 22.767 10.715 1.00 0.00 N ATOM 579 CZ ARG A 41 -9.596 23.507 11.668 1.00 0.00 C ATOM 580 NH1 ARG A 41 -10.902 23.630 11.818 1.00 0.00 N ATOM 581 NH2 ARG A 41 -8.818 24.149 12.500 1.00 0.00 N ATOM 0 H ARG A 41 -10.742 19.070 6.130 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.902 21.807 7.038 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.075 19.671 8.236 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.639 19.758 7.234 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.045 20.691 9.350 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.154 22.037 8.233 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.398 22.629 9.117 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.374 21.234 10.177 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.996 22.745 10.691 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -11.536 23.143 11.184 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.277 24.212 12.568 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.805 24.076 12.410 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.225 24.723 13.239 1.00 0.00 H new ATOM 594 N GLN A 42 -8.493 21.359 4.818 1.00 0.00 N ATOM 595 CA GLN A 42 -7.720 22.068 3.769 1.00 0.00 C ATOM 596 C GLN A 42 -7.258 21.030 2.688 1.00 0.00 C ATOM 597 O GLN A 42 -6.542 20.088 3.053 1.00 0.00 O ATOM 598 CB GLN A 42 -6.500 22.851 4.352 1.00 0.00 C ATOM 599 CG GLN A 42 -6.476 24.358 4.016 1.00 0.00 C ATOM 600 CD GLN A 42 -6.164 24.707 2.547 1.00 0.00 C ATOM 601 OE1 GLN A 42 -5.503 23.974 1.814 1.00 0.00 O ATOM 602 NE2 GLN A 42 -6.627 25.848 2.082 1.00 0.00 N ATOM 0 H GLN A 42 -8.287 20.361 4.868 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.369 22.815 3.312 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.496 22.735 5.436 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.582 22.396 3.979 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.445 24.785 4.275 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.734 24.842 4.651 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.176 26.460 2.686 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.437 26.120 1.118 1.00 0.00 H new ATOM 611 N PRO A 43 -7.560 21.158 1.363 1.00 0.00 N ATOM 612 CA PRO A 43 -7.042 20.217 0.324 1.00 0.00 C ATOM 613 C PRO A 43 -5.520 20.234 -0.040 1.00 0.00 C ATOM 614 O PRO A 43 -5.078 19.348 -0.776 1.00 0.00 O ATOM 615 CB PRO A 43 -7.974 20.511 -0.864 1.00 0.00 C ATOM 616 CG PRO A 43 -8.423 21.962 -0.685 1.00 0.00 C ATOM 617 CD PRO A 43 -8.509 22.152 0.829 1.00 0.00 C ATOM 0 HA PRO A 43 -7.067 19.196 0.704 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -7.455 20.376 -1.813 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.828 19.834 -0.869 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.711 22.656 -1.132 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.386 22.141 -1.163 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -8.233 23.165 1.121 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.520 21.978 1.197 1.00 0.00 H new ATOM 625 N ASP A 44 -4.718 21.161 0.513 1.00 0.00 N ATOM 626 CA ASP A 44 -3.242 20.983 0.634 1.00 0.00 C ATOM 627 C ASP A 44 -2.771 21.248 2.107 1.00 0.00 C ATOM 628 O ASP A 44 -1.978 22.156 2.376 1.00 0.00 O ATOM 629 CB ASP A 44 -2.558 21.852 -0.459 1.00 0.00 C ATOM 630 CG ASP A 44 -1.078 21.526 -0.685 1.00 0.00 C ATOM 631 OD1 ASP A 44 -0.687 20.498 -1.234 1.00 0.00 O ATOM 632 OD2 ASP A 44 -0.249 22.502 -0.209 1.00 0.00 O ATOM 0 H ASP A 44 -5.059 22.047 0.887 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.939 19.953 0.446 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.095 21.723 -1.399 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.649 22.902 -0.182 1.00 0.00 H new ATOM 638 N LEU A 45 -3.232 20.407 3.055 1.00 0.00 N ATOM 639 CA LEU A 45 -2.776 20.426 4.477 1.00 0.00 C ATOM 640 C LEU A 45 -1.558 19.468 4.723 1.00 0.00 C ATOM 641 O LEU A 45 -1.244 18.594 3.905 1.00 0.00 O ATOM 642 CB LEU A 45 -4.028 20.105 5.355 1.00 0.00 C ATOM 643 CG LEU A 45 -4.026 20.506 6.855 1.00 0.00 C ATOM 644 CD1 LEU A 45 -3.745 21.999 7.118 1.00 0.00 C ATOM 645 CD2 LEU A 45 -5.374 20.118 7.493 1.00 0.00 C ATOM 0 H LEU A 45 -3.933 19.691 2.865 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.386 21.406 4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.888 20.586 4.888 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.198 19.029 5.303 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.199 19.960 7.310 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.763 22.189 8.191 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.765 22.260 6.719 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.509 22.604 6.630 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.373 20.399 8.546 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.183 20.638 6.979 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.522 19.042 7.405 1.00 0.00 H new ATOM 657 N ILE A 46 -0.883 19.604 5.885 1.00 0.00 N ATOM 658 CA ILE A 46 0.208 18.669 6.317 1.00 0.00 C ATOM 659 C ILE A 46 -0.398 17.239 6.608 1.00 0.00 C ATOM 660 O ILE A 46 -0.054 16.346 5.830 1.00 0.00 O ATOM 661 CB ILE A 46 1.160 19.276 7.418 1.00 0.00 C ATOM 662 CG1 ILE A 46 1.948 20.555 6.988 1.00 0.00 C ATOM 663 CG2 ILE A 46 2.211 18.241 7.908 1.00 0.00 C ATOM 664 CD1 ILE A 46 1.157 21.875 6.964 1.00 0.00 C ATOM 0 H ILE A 46 -1.067 20.353 6.552 1.00 0.00 H new ATOM 0 HA ILE A 46 0.909 18.526 5.495 1.00 0.00 H new ATOM 0 HB ILE A 46 0.466 19.556 8.210 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.794 20.677 7.664 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.357 20.385 5.992 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.847 18.699 8.666 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.700 17.378 8.336 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.824 17.919 7.066 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.813 22.687 6.650 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.326 21.789 6.264 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.770 22.086 7.961 1.00 0.00 H new ATOM 676 N PRO A 47 -1.330 16.962 7.577 1.00 0.00 N ATOM 677 CA PRO A 47 -2.116 15.691 7.615 1.00 0.00 C ATOM 678 C PRO A 47 -2.886 15.214 6.333 1.00 0.00 C ATOM 679 O PRO A 47 -3.135 14.010 6.212 1.00 0.00 O ATOM 680 CB PRO A 47 -3.027 15.874 8.846 1.00 0.00 C ATOM 681 CG PRO A 47 -3.033 17.373 9.144 1.00 0.00 C ATOM 682 CD PRO A 47 -1.653 17.858 8.702 1.00 0.00 C ATOM 0 HA PRO A 47 -1.418 14.855 7.670 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.035 15.512 8.643 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.651 15.308 9.698 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.826 17.883 8.598 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.201 17.566 10.204 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.673 18.903 8.393 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -0.921 17.777 9.505 1.00 0.00 H new ATOM 690 N LEU A 48 -3.205 16.104 5.365 1.00 0.00 N ATOM 691 CA LEU A 48 -3.659 15.702 4.001 1.00 0.00 C ATOM 692 C LEU A 48 -2.561 14.969 3.173 1.00 0.00 C ATOM 693 O LEU A 48 -2.781 13.816 2.804 1.00 0.00 O ATOM 694 CB LEU A 48 -4.267 16.959 3.304 1.00 0.00 C ATOM 695 CG LEU A 48 -4.930 16.881 1.902 1.00 0.00 C ATOM 696 CD1 LEU A 48 -3.970 16.622 0.727 1.00 0.00 C ATOM 697 CD2 LEU A 48 -6.101 15.898 1.880 1.00 0.00 C ATOM 0 H LEU A 48 -3.158 17.114 5.499 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.437 14.943 4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.016 17.364 3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.468 17.697 3.234 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.308 17.890 1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.536 16.586 -0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.235 17.425 0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.459 15.671 0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.537 15.873 0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.745 14.902 2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.857 16.216 2.598 1.00 0.00 H new ATOM 709 N LEU A 49 -1.399 15.594 2.897 1.00 0.00 N ATOM 710 CA LEU A 49 -0.258 14.916 2.200 1.00 0.00 C ATOM 711 C LEU A 49 0.413 13.735 2.967 1.00 0.00 C ATOM 712 O LEU A 49 0.861 12.783 2.322 1.00 0.00 O ATOM 713 CB LEU A 49 0.799 15.978 1.776 1.00 0.00 C ATOM 714 CG LEU A 49 0.344 17.130 0.833 1.00 0.00 C ATOM 715 CD1 LEU A 49 1.475 18.161 0.663 1.00 0.00 C ATOM 716 CD2 LEU A 49 -0.120 16.631 -0.550 1.00 0.00 C ATOM 0 H LEU A 49 -1.214 16.567 3.141 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.701 14.435 1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.201 16.429 2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.621 15.454 1.289 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.517 17.598 1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.142 18.960 0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.735 18.580 1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.350 17.674 0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.424 17.481 -1.160 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.699 16.106 -1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.964 15.952 -0.428 1.00 0.00 H new ATOM 728 N ARG A 50 0.399 13.736 4.316 1.00 0.00 N ATOM 729 CA ARG A 50 0.652 12.510 5.131 1.00 0.00 C ATOM 730 C ARG A 50 -0.301 11.334 4.769 1.00 0.00 C ATOM 731 O ARG A 50 0.170 10.268 4.364 1.00 0.00 O ATOM 732 CB ARG A 50 0.507 12.826 6.646 1.00 0.00 C ATOM 733 CG ARG A 50 1.547 13.778 7.282 1.00 0.00 C ATOM 734 CD ARG A 50 2.953 13.171 7.459 1.00 0.00 C ATOM 735 NE ARG A 50 3.898 14.165 8.033 1.00 0.00 N ATOM 736 CZ ARG A 50 4.097 14.392 9.340 1.00 0.00 C ATOM 737 NH1 ARG A 50 3.467 13.753 10.308 1.00 0.00 N ATOM 738 NH2 ARG A 50 4.970 15.306 9.671 1.00 0.00 N ATOM 0 H ARG A 50 0.215 14.570 4.873 1.00 0.00 H new ATOM 0 HA ARG A 50 1.671 12.197 4.902 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.483 13.254 6.807 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.538 11.882 7.190 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.627 14.672 6.663 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.179 14.097 8.257 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.897 12.300 8.111 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.326 12.824 6.496 1.00 0.00 H new ATOM 0 HE ARG A 50 4.443 14.723 7.375 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.779 13.035 10.082 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.668 13.977 11.282 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.472 15.818 8.946 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.149 15.508 10.655 1.00 0.00 H new ATOM 751 N THR A 51 -1.625 11.545 4.897 1.00 0.00 N ATOM 752 CA THR A 51 -2.639 10.489 4.665 1.00 0.00 C ATOM 753 C THR A 51 -2.840 10.086 3.156 1.00 0.00 C ATOM 754 O THR A 51 -3.143 8.924 2.886 1.00 0.00 O ATOM 755 CB THR A 51 -3.960 10.808 5.429 1.00 0.00 C ATOM 756 OG1 THR A 51 -3.736 11.393 6.712 1.00 0.00 O ATOM 757 CG2 THR A 51 -4.765 9.533 5.703 1.00 0.00 C ATOM 0 H THR A 51 -2.024 12.445 5.162 1.00 0.00 H new ATOM 0 HA THR A 51 -2.236 9.573 5.097 1.00 0.00 H new ATOM 0 HB THR A 51 -4.491 11.503 4.778 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.512 12.341 6.605 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.680 9.788 6.237 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.018 9.052 4.758 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.170 8.850 6.309 1.00 0.00 H new ATOM 765 N GLN A 52 -2.604 10.985 2.177 1.00 0.00 N ATOM 766 CA GLN A 52 -2.368 10.653 0.758 1.00 0.00 C ATOM 767 C GLN A 52 -1.216 9.626 0.506 1.00 0.00 C ATOM 768 O GLN A 52 -1.434 8.587 -0.124 1.00 0.00 O ATOM 769 CB GLN A 52 -2.134 12.025 0.065 1.00 0.00 C ATOM 770 CG GLN A 52 -2.259 11.972 -1.461 1.00 0.00 C ATOM 771 CD GLN A 52 -1.929 13.306 -2.144 1.00 0.00 C ATOM 772 OE1 GLN A 52 -0.772 13.705 -2.246 1.00 0.00 O ATOM 773 NE2 GLN A 52 -2.920 14.030 -2.624 1.00 0.00 N ATOM 0 H GLN A 52 -2.572 11.988 2.358 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.224 10.123 0.341 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.852 12.746 0.455 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.141 12.390 0.327 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.593 11.200 -1.846 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.275 11.678 -1.725 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.881 13.699 -2.539 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.726 14.921 -3.080 1.00 0.00 H new ATOM 782 N PHE A 53 -0.026 9.905 1.063 1.00 0.00 N ATOM 783 CA PHE A 53 1.087 8.913 1.165 1.00 0.00 C ATOM 784 C PHE A 53 0.762 7.548 1.872 1.00 0.00 C ATOM 785 O PHE A 53 1.203 6.504 1.378 1.00 0.00 O ATOM 786 CB PHE A 53 2.330 9.630 1.774 1.00 0.00 C ATOM 787 CG PHE A 53 3.296 10.219 0.728 1.00 0.00 C ATOM 788 CD1 PHE A 53 3.012 11.434 0.093 1.00 0.00 C ATOM 789 CD2 PHE A 53 4.459 9.522 0.380 1.00 0.00 C ATOM 790 CE1 PHE A 53 3.880 11.947 -0.868 1.00 0.00 C ATOM 791 CE2 PHE A 53 5.326 10.037 -0.581 1.00 0.00 C ATOM 792 CZ PHE A 53 5.036 11.248 -1.204 1.00 0.00 C ATOM 0 H PHE A 53 0.203 10.817 1.457 1.00 0.00 H new ATOM 0 HA PHE A 53 1.290 8.577 0.148 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.988 10.432 2.428 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.875 8.921 2.397 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.114 11.977 0.350 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.685 8.581 0.859 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.656 12.886 -1.352 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.224 9.497 -0.843 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.709 11.646 -1.949 1.00 0.00 H new ATOM 802 N PHE A 54 -0.041 7.530 2.960 1.00 0.00 N ATOM 803 CA PHE A 54 -0.663 6.298 3.513 1.00 0.00 C ATOM 804 C PHE A 54 -1.521 5.448 2.509 1.00 0.00 C ATOM 805 O PHE A 54 -1.362 4.225 2.478 1.00 0.00 O ATOM 806 CB PHE A 54 -1.474 6.651 4.795 1.00 0.00 C ATOM 807 CG PHE A 54 -0.704 6.645 6.127 1.00 0.00 C ATOM 808 CD1 PHE A 54 -0.523 5.443 6.823 1.00 0.00 C ATOM 809 CD2 PHE A 54 -0.210 7.830 6.682 1.00 0.00 C ATOM 810 CE1 PHE A 54 0.160 5.425 8.037 1.00 0.00 C ATOM 811 CE2 PHE A 54 0.473 7.813 7.895 1.00 0.00 C ATOM 812 CZ PHE A 54 0.659 6.610 8.570 1.00 0.00 C ATOM 0 H PHE A 54 -0.279 8.372 3.484 1.00 0.00 H new ATOM 0 HA PHE A 54 0.170 5.638 3.755 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.910 7.641 4.659 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.302 5.947 4.878 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.916 4.523 6.415 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.360 8.766 6.165 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.302 4.493 8.564 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.858 8.732 8.312 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.192 6.596 9.509 1.00 0.00 H new ATOM 822 N ILE A 55 -2.383 6.074 1.676 1.00 0.00 N ATOM 823 CA ILE A 55 -3.065 5.390 0.524 1.00 0.00 C ATOM 824 C ILE A 55 -2.057 4.761 -0.501 1.00 0.00 C ATOM 825 O ILE A 55 -2.282 3.625 -0.920 1.00 0.00 O ATOM 826 CB ILE A 55 -4.097 6.304 -0.239 1.00 0.00 C ATOM 827 CG1 ILE A 55 -5.084 7.100 0.660 1.00 0.00 C ATOM 828 CG2 ILE A 55 -4.943 5.503 -1.270 1.00 0.00 C ATOM 829 CD1 ILE A 55 -5.722 8.313 -0.035 1.00 0.00 C ATOM 0 H ILE A 55 -2.632 7.059 1.771 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.626 4.583 0.996 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.448 7.026 -0.734 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.875 6.429 0.996 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.555 7.441 1.550 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.639 6.176 -1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.282 5.050 -2.009 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.501 4.721 -0.754 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.397 8.815 0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.941 9.006 -0.347 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.281 7.979 -0.909 1.00 0.00 H new ATOM 841 N VAL A 56 -0.980 5.477 -0.903 1.00 0.00 N ATOM 842 CA VAL A 56 0.043 4.963 -1.865 1.00 0.00 C ATOM 843 C VAL A 56 0.737 3.669 -1.338 1.00 0.00 C ATOM 844 O VAL A 56 0.606 2.638 -1.996 1.00 0.00 O ATOM 845 CB VAL A 56 1.030 6.105 -2.310 1.00 0.00 C ATOM 846 CG1 VAL A 56 2.141 5.628 -3.279 1.00 0.00 C ATOM 847 CG2 VAL A 56 0.329 7.304 -2.994 1.00 0.00 C ATOM 0 H VAL A 56 -0.790 6.424 -0.575 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.464 4.649 -2.778 1.00 0.00 H new ATOM 0 HB VAL A 56 1.468 6.418 -1.362 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.782 6.470 -3.541 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.738 4.855 -2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.686 5.223 -4.183 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.073 8.050 -3.272 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.191 6.960 -3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.389 7.748 -2.304 1.00 0.00 H new ATOM 857 N MET A 57 1.405 3.679 -0.167 1.00 0.00 N ATOM 858 CA MET A 57 2.012 2.451 0.421 1.00 0.00 C ATOM 859 C MET A 57 1.049 1.250 0.737 1.00 0.00 C ATOM 860 O MET A 57 1.442 0.096 0.528 1.00 0.00 O ATOM 861 CB MET A 57 2.986 2.818 1.570 1.00 0.00 C ATOM 862 CG MET A 57 2.351 3.252 2.899 1.00 0.00 C ATOM 863 SD MET A 57 1.808 1.798 3.822 1.00 0.00 S ATOM 864 CE MET A 57 0.778 2.575 5.075 1.00 0.00 C ATOM 0 H MET A 57 1.542 4.519 0.395 1.00 0.00 H new ATOM 0 HA MET A 57 2.592 2.012 -0.391 1.00 0.00 H new ATOM 0 HB2 MET A 57 3.625 1.956 1.763 1.00 0.00 H new ATOM 0 HB3 MET A 57 3.634 3.623 1.223 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.071 3.820 3.488 1.00 0.00 H new ATOM 0 HG3 MET A 57 1.504 3.911 2.710 1.00 0.00 H new ATOM 0 HE1 MET A 57 0.363 1.810 5.731 1.00 0.00 H new ATOM 0 HE2 MET A 57 1.380 3.269 5.662 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.035 3.118 4.592 1.00 0.00 H new ATOM 874 N GLY A 58 -0.211 1.510 1.163 1.00 0.00 N ATOM 875 CA GLY A 58 -1.285 0.496 1.201 1.00 0.00 C ATOM 876 C GLY A 58 -1.602 -0.070 -0.188 1.00 0.00 C ATOM 877 O GLY A 58 -1.208 -1.202 -0.448 1.00 0.00 O ATOM 0 H GLY A 58 -0.508 2.430 1.489 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.990 -0.318 1.863 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.186 0.940 1.624 1.00 0.00 H new ATOM 881 N LEU A 59 -2.206 0.692 -1.116 1.00 0.00 N ATOM 882 CA LEU A 59 -2.384 0.254 -2.544 1.00 0.00 C ATOM 883 C LEU A 59 -1.130 -0.313 -3.330 1.00 0.00 C ATOM 884 O LEU A 59 -1.281 -0.980 -4.357 1.00 0.00 O ATOM 885 CB LEU A 59 -3.086 1.439 -3.268 1.00 0.00 C ATOM 886 CG LEU A 59 -3.782 1.144 -4.625 1.00 0.00 C ATOM 887 CD1 LEU A 59 -4.972 0.173 -4.482 1.00 0.00 C ATOM 888 CD2 LEU A 59 -4.255 2.464 -5.261 1.00 0.00 C ATOM 0 H LEU A 59 -2.585 1.618 -0.919 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.984 -0.656 -2.528 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.833 1.851 -2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.342 2.218 -3.435 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.049 0.658 -5.268 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.421 0.002 -5.460 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.621 -0.775 -4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.715 0.605 -3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.743 2.255 -6.213 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.960 2.958 -4.592 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.397 3.115 -5.428 1.00 0.00 H new ATOM 900 N VAL A 60 0.087 -0.109 -2.799 1.00 0.00 N ATOM 901 CA VAL A 60 1.330 -0.833 -3.201 1.00 0.00 C ATOM 902 C VAL A 60 1.487 -2.265 -2.588 1.00 0.00 C ATOM 903 O VAL A 60 1.917 -3.163 -3.319 1.00 0.00 O ATOM 904 CB VAL A 60 2.566 0.120 -2.990 1.00 0.00 C ATOM 905 CG1 VAL A 60 3.965 -0.539 -2.958 1.00 0.00 C ATOM 906 CG2 VAL A 60 2.623 1.267 -4.028 1.00 0.00 C ATOM 0 H VAL A 60 0.250 0.576 -2.061 1.00 0.00 H new ATOM 0 HA VAL A 60 1.259 -1.067 -4.263 1.00 0.00 H new ATOM 0 HB VAL A 60 2.365 0.492 -1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.725 0.228 -2.807 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.009 -1.260 -2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.148 -1.050 -3.903 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.495 1.891 -3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.694 0.847 -5.031 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.720 1.872 -3.952 1.00 0.00 H new ATOM 916 N ASP A 61 1.111 -2.526 -1.314 1.00 0.00 N ATOM 917 CA ASP A 61 0.759 -3.903 -0.849 1.00 0.00 C ATOM 918 C ASP A 61 -0.288 -4.623 -1.762 1.00 0.00 C ATOM 919 O ASP A 61 -0.013 -5.744 -2.186 1.00 0.00 O ATOM 920 CB ASP A 61 0.296 -3.903 0.632 1.00 0.00 C ATOM 921 CG ASP A 61 1.383 -3.567 1.657 1.00 0.00 C ATOM 922 OD1 ASP A 61 2.334 -4.304 1.902 1.00 0.00 O ATOM 923 OD2 ASP A 61 1.170 -2.360 2.263 1.00 0.00 O ATOM 0 H ASP A 61 1.042 -1.812 -0.589 1.00 0.00 H new ATOM 0 HA ASP A 61 1.679 -4.482 -0.924 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.518 -3.186 0.741 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.112 -4.886 0.868 1.00 0.00 H new ATOM 929 N ALA A 62 -1.415 -3.972 -2.143 1.00 0.00 N ATOM 930 CA ALA A 62 -2.300 -4.455 -3.243 1.00 0.00 C ATOM 931 C ALA A 62 -1.592 -4.932 -4.547 1.00 0.00 C ATOM 932 O ALA A 62 -1.598 -6.135 -4.800 1.00 0.00 O ATOM 933 CB ALA A 62 -3.456 -3.475 -3.522 1.00 0.00 C ATOM 0 H ALA A 62 -1.737 -3.108 -1.706 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.720 -5.379 -2.846 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.076 -3.864 -4.329 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.061 -3.361 -2.623 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.050 -2.506 -3.812 1.00 0.00 H new ATOM 939 N ILE A 63 -0.948 -4.045 -5.326 1.00 0.00 N ATOM 940 CA ILE A 63 -0.365 -4.400 -6.662 1.00 0.00 C ATOM 941 C ILE A 63 0.799 -5.453 -6.569 1.00 0.00 C ATOM 942 O ILE A 63 0.698 -6.522 -7.188 1.00 0.00 O ATOM 943 CB ILE A 63 -0.016 -3.080 -7.453 1.00 0.00 C ATOM 944 CG1 ILE A 63 -1.244 -2.142 -7.698 1.00 0.00 C ATOM 945 CG2 ILE A 63 0.666 -3.359 -8.819 1.00 0.00 C ATOM 946 CD1 ILE A 63 -0.897 -0.668 -7.970 1.00 0.00 C ATOM 0 H ILE A 63 -0.810 -3.069 -5.065 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.116 -4.929 -7.250 1.00 0.00 H new ATOM 0 HB ILE A 63 0.683 -2.566 -6.793 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.812 -2.527 -8.545 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.898 -2.190 -6.827 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.882 -2.414 -9.317 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.595 -3.905 -8.657 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.000 -3.954 -9.443 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.815 -0.101 -8.127 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.358 -0.257 -7.116 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.272 -0.600 -8.860 1.00 0.00 H new ATOM 958 N ALA A 64 1.879 -5.160 -5.815 1.00 0.00 N ATOM 959 CA ALA A 64 3.064 -6.042 -5.708 1.00 0.00 C ATOM 960 C ALA A 64 2.806 -7.441 -5.076 1.00 0.00 C ATOM 961 O ALA A 64 3.151 -8.454 -5.691 1.00 0.00 O ATOM 962 CB ALA A 64 4.175 -5.260 -4.978 1.00 0.00 C ATOM 0 H ALA A 64 1.956 -4.306 -5.263 1.00 0.00 H new ATOM 0 HA ALA A 64 3.372 -6.298 -6.722 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.061 -5.888 -4.886 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.423 -4.364 -5.547 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.827 -4.975 -3.985 1.00 0.00 H new ATOM 968 N MET A 65 2.175 -7.506 -3.888 1.00 0.00 N ATOM 969 CA MET A 65 1.856 -8.776 -3.205 1.00 0.00 C ATOM 970 C MET A 65 0.759 -9.652 -3.895 1.00 0.00 C ATOM 971 O MET A 65 0.908 -10.878 -3.881 1.00 0.00 O ATOM 972 CB MET A 65 1.497 -8.474 -1.729 1.00 0.00 C ATOM 973 CG MET A 65 2.502 -7.676 -0.869 1.00 0.00 C ATOM 974 SD MET A 65 4.134 -8.444 -0.908 1.00 0.00 S ATOM 975 CE MET A 65 5.020 -7.342 0.207 1.00 0.00 C ATOM 0 H MET A 65 1.871 -6.679 -3.374 1.00 0.00 H new ATOM 0 HA MET A 65 2.752 -9.394 -3.267 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.552 -7.930 -1.723 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.319 -9.427 -1.231 1.00 0.00 H new ATOM 0 HG2 MET A 65 2.569 -6.652 -1.237 1.00 0.00 H new ATOM 0 HG3 MET A 65 2.145 -7.623 0.160 1.00 0.00 H new ATOM 0 HE1 MET A 65 6.055 -7.673 0.299 1.00 0.00 H new ATOM 0 HE2 MET A 65 4.997 -6.327 -0.190 1.00 0.00 H new ATOM 0 HE3 MET A 65 4.545 -7.358 1.188 1.00 0.00 H new ATOM 985 N ILE A 66 -0.302 -9.070 -4.515 1.00 0.00 N ATOM 986 CA ILE A 66 -1.302 -9.852 -5.304 1.00 0.00 C ATOM 987 C ILE A 66 -0.695 -10.501 -6.596 1.00 0.00 C ATOM 988 O ILE A 66 -0.856 -11.708 -6.777 1.00 0.00 O ATOM 989 CB ILE A 66 -2.657 -9.069 -5.471 1.00 0.00 C ATOM 990 CG1 ILE A 66 -3.943 -9.932 -5.317 1.00 0.00 C ATOM 991 CG2 ILE A 66 -2.740 -8.148 -6.713 1.00 0.00 C ATOM 992 CD1 ILE A 66 -4.192 -11.032 -6.361 1.00 0.00 C ATOM 0 H ILE A 66 -0.490 -8.068 -4.486 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.584 -10.730 -4.722 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.630 -8.406 -4.606 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.916 -10.402 -4.334 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.801 -9.260 -5.326 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.712 -7.655 -6.736 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.953 -7.396 -6.662 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.614 -8.744 -7.617 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.122 -11.551 -6.128 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.265 -10.584 -7.352 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.366 -11.743 -6.344 1.00 0.00 H new ATOM 1004 N ALA A 67 0.029 -9.749 -7.457 1.00 0.00 N ATOM 1005 CA ALA A 67 0.690 -10.323 -8.662 1.00 0.00 C ATOM 1006 C ALA A 67 1.851 -11.340 -8.426 1.00 0.00 C ATOM 1007 O ALA A 67 1.897 -12.355 -9.128 1.00 0.00 O ATOM 1008 CB ALA A 67 1.128 -9.128 -9.526 1.00 0.00 C ATOM 0 H ALA A 67 0.173 -8.746 -7.344 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.040 -10.961 -9.160 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.621 -9.492 -10.427 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.253 -8.540 -9.803 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.820 -8.504 -8.960 1.00 0.00 H new ATOM 1014 N VAL A 68 2.751 -11.117 -7.444 1.00 0.00 N ATOM 1015 CA VAL A 68 3.792 -12.120 -7.044 1.00 0.00 C ATOM 1016 C VAL A 68 3.166 -13.432 -6.447 1.00 0.00 C ATOM 1017 O VAL A 68 3.503 -14.525 -6.914 1.00 0.00 O ATOM 1018 CB VAL A 68 4.885 -11.446 -6.134 1.00 0.00 C ATOM 1019 CG1 VAL A 68 5.943 -12.429 -5.573 1.00 0.00 C ATOM 1020 CG2 VAL A 68 5.667 -10.317 -6.852 1.00 0.00 C ATOM 0 H VAL A 68 2.787 -10.252 -6.905 1.00 0.00 H new ATOM 0 HA VAL A 68 4.309 -12.460 -7.942 1.00 0.00 H new ATOM 0 HB VAL A 68 4.290 -11.043 -5.314 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.657 -11.882 -4.957 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.449 -13.189 -4.967 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.468 -12.909 -6.399 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.405 -9.894 -6.170 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.174 -10.725 -7.727 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.974 -9.537 -7.165 1.00 0.00 H new ATOM 1030 N GLY A 69 2.267 -13.332 -5.447 1.00 0.00 N ATOM 1031 CA GLY A 69 1.585 -14.514 -4.864 1.00 0.00 C ATOM 1032 C GLY A 69 0.570 -15.292 -5.723 1.00 0.00 C ATOM 1033 O GLY A 69 0.600 -16.523 -5.689 1.00 0.00 O ATOM 0 H GLY A 69 1.994 -12.445 -5.023 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.357 -15.217 -4.550 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.068 -14.184 -3.963 1.00 0.00 H new ATOM 1037 N LEU A 70 -0.302 -14.611 -6.490 1.00 0.00 N ATOM 1038 CA LEU A 70 -1.174 -15.278 -7.504 1.00 0.00 C ATOM 1039 C LEU A 70 -0.380 -15.969 -8.654 1.00 0.00 C ATOM 1040 O LEU A 70 -0.677 -17.122 -8.971 1.00 0.00 O ATOM 1041 CB LEU A 70 -2.228 -14.261 -8.022 1.00 0.00 C ATOM 1042 CG LEU A 70 -3.397 -14.822 -8.878 1.00 0.00 C ATOM 1043 CD1 LEU A 70 -4.338 -15.746 -8.078 1.00 0.00 C ATOM 1044 CD2 LEU A 70 -4.212 -13.668 -9.492 1.00 0.00 C ATOM 0 H LEU A 70 -0.429 -13.600 -6.435 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.693 -16.101 -7.013 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.656 -13.750 -7.160 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.708 -13.507 -8.613 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.943 -15.422 -9.666 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.134 -16.106 -8.729 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.773 -16.594 -7.692 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.773 -15.191 -7.247 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.028 -14.076 -10.089 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.621 -13.047 -8.695 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.565 -13.063 -10.127 1.00 0.00 H new ATOM 1056 N GLY A 71 0.667 -15.312 -9.202 1.00 0.00 N ATOM 1057 CA GLY A 71 1.735 -15.995 -9.977 1.00 0.00 C ATOM 1058 C GLY A 71 2.277 -17.340 -9.430 1.00 0.00 C ATOM 1059 O GLY A 71 2.175 -18.346 -10.135 1.00 0.00 O ATOM 0 H GLY A 71 0.798 -14.304 -9.123 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.358 -16.171 -10.984 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.576 -15.307 -10.067 1.00 0.00 H new ATOM 1063 N LEU A 72 2.805 -17.383 -8.188 1.00 0.00 N ATOM 1064 CA LEU A 72 3.360 -18.633 -7.606 1.00 0.00 C ATOM 1065 C LEU A 72 2.326 -19.737 -7.209 1.00 0.00 C ATOM 1066 O LEU A 72 2.504 -20.899 -7.584 1.00 0.00 O ATOM 1067 CB LEU A 72 4.349 -18.333 -6.450 1.00 0.00 C ATOM 1068 CG LEU A 72 5.372 -19.473 -6.192 1.00 0.00 C ATOM 1069 CD1 LEU A 72 6.361 -19.722 -7.353 1.00 0.00 C ATOM 1070 CD2 LEU A 72 6.186 -19.177 -4.928 1.00 0.00 C ATOM 0 H LEU A 72 2.860 -16.574 -7.569 1.00 0.00 H new ATOM 0 HA LEU A 72 3.903 -19.082 -8.438 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.891 -17.415 -6.676 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.782 -18.152 -5.537 1.00 0.00 H new ATOM 0 HG LEU A 72 4.769 -20.374 -6.083 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.038 -20.534 -7.087 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.806 -19.992 -8.252 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.937 -18.816 -7.541 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.900 -19.983 -4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.724 -18.237 -5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.515 -19.100 -4.073 1.00 0.00 H new ATOM 1082 N TYR A 73 1.256 -19.370 -6.477 1.00 0.00 N ATOM 1083 CA TYR A 73 0.029 -20.201 -6.297 1.00 0.00 C ATOM 1084 C TYR A 73 -0.503 -20.976 -7.548 1.00 0.00 C ATOM 1085 O TYR A 73 -0.806 -22.171 -7.472 1.00 0.00 O ATOM 1086 CB TYR A 73 -1.050 -19.264 -5.682 1.00 0.00 C ATOM 1087 CG TYR A 73 -2.392 -19.909 -5.293 1.00 0.00 C ATOM 1088 CD1 TYR A 73 -2.466 -20.868 -4.277 1.00 0.00 C ATOM 1089 CD2 TYR A 73 -3.565 -19.507 -5.938 1.00 0.00 C ATOM 1090 CE1 TYR A 73 -3.695 -21.386 -3.881 1.00 0.00 C ATOM 1091 CE2 TYR A 73 -4.796 -20.000 -5.517 1.00 0.00 C ATOM 1092 CZ TYR A 73 -4.862 -20.942 -4.495 1.00 0.00 C ATOM 1093 OH TYR A 73 -6.078 -21.428 -4.092 1.00 0.00 O ATOM 0 H TYR A 73 1.210 -18.478 -5.984 1.00 0.00 H new ATOM 0 HA TYR A 73 0.293 -21.030 -5.641 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.627 -18.798 -4.792 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -1.252 -18.465 -6.395 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.561 -21.209 -3.796 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.516 -18.813 -6.764 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.743 -22.130 -3.100 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.704 -19.650 -5.985 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.789 -21.013 -4.624 1.00 0.00 H new ATOM 1103 N VAL A 74 -0.602 -20.266 -8.677 1.00 0.00 N ATOM 1104 CA VAL A 74 -1.064 -20.836 -9.973 1.00 0.00 C ATOM 1105 C VAL A 74 0.043 -21.697 -10.684 1.00 0.00 C ATOM 1106 O VAL A 74 -0.292 -22.753 -11.224 1.00 0.00 O ATOM 1107 CB VAL A 74 -1.739 -19.715 -10.840 1.00 0.00 C ATOM 1108 CG1 VAL A 74 -2.235 -20.207 -12.216 1.00 0.00 C ATOM 1109 CG2 VAL A 74 -2.972 -19.060 -10.159 1.00 0.00 C ATOM 0 H VAL A 74 -0.366 -19.275 -8.731 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.847 -21.572 -9.793 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.930 -18.994 -10.957 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.689 -19.377 -12.757 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.393 -20.596 -12.789 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.974 -20.996 -12.076 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.387 -18.295 -10.816 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.728 -19.821 -9.966 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.668 -18.604 -9.217 1.00 0.00 H new ATOM 1119 N MET A 75 1.338 -21.308 -10.666 1.00 0.00 N ATOM 1120 CA MET A 75 2.465 -22.150 -11.155 1.00 0.00 C ATOM 1121 C MET A 75 2.640 -23.549 -10.470 1.00 0.00 C ATOM 1122 O MET A 75 2.809 -24.535 -11.192 1.00 0.00 O ATOM 1123 CB MET A 75 3.761 -21.301 -11.055 1.00 0.00 C ATOM 1124 CG MET A 75 3.949 -20.244 -12.163 1.00 0.00 C ATOM 1125 SD MET A 75 5.382 -19.205 -11.799 1.00 0.00 S ATOM 1126 CE MET A 75 6.739 -20.226 -12.408 1.00 0.00 C ATOM 0 H MET A 75 1.637 -20.399 -10.312 1.00 0.00 H new ATOM 0 HA MET A 75 2.230 -22.422 -12.184 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.770 -20.795 -10.089 1.00 0.00 H new ATOM 0 HB3 MET A 75 4.618 -21.974 -11.070 1.00 0.00 H new ATOM 0 HG2 MET A 75 4.083 -20.736 -13.126 1.00 0.00 H new ATOM 0 HG3 MET A 75 3.054 -19.627 -12.242 1.00 0.00 H new ATOM 0 HE1 MET A 75 7.685 -19.708 -12.248 1.00 0.00 H new ATOM 0 HE2 MET A 75 6.749 -21.175 -11.872 1.00 0.00 H new ATOM 0 HE3 MET A 75 6.604 -20.413 -13.473 1.00 0.00 H new ATOM 1136 N PHE A 76 2.614 -23.653 -9.122 1.00 0.00 N ATOM 1137 CA PHE A 76 2.812 -24.952 -8.411 1.00 0.00 C ATOM 1138 C PHE A 76 1.550 -25.869 -8.423 1.00 0.00 C ATOM 1139 O PHE A 76 1.581 -26.932 -9.050 1.00 0.00 O ATOM 1140 CB PHE A 76 3.447 -24.682 -7.010 1.00 0.00 C ATOM 1141 CG PHE A 76 3.859 -25.926 -6.192 1.00 0.00 C ATOM 1142 CD1 PHE A 76 4.901 -26.745 -6.648 1.00 0.00 C ATOM 1143 CD2 PHE A 76 3.200 -26.262 -5.000 1.00 0.00 C ATOM 1144 CE1 PHE A 76 5.262 -27.889 -5.938 1.00 0.00 C ATOM 1145 CE2 PHE A 76 3.556 -27.412 -4.302 1.00 0.00 C ATOM 1146 CZ PHE A 76 4.589 -28.222 -4.767 1.00 0.00 C ATOM 0 H PHE A 76 2.459 -22.860 -8.500 1.00 0.00 H new ATOM 0 HA PHE A 76 3.528 -25.560 -8.964 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.329 -24.057 -7.149 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.737 -24.104 -6.419 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.428 -26.488 -7.555 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.413 -25.626 -4.623 1.00 0.00 H new ATOM 0 HE1 PHE A 76 6.064 -28.517 -6.297 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.030 -27.677 -3.397 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.868 -29.109 -4.218 1.00 0.00 H new ATOM 1156 N ALA A 77 0.468 -25.478 -7.731 1.00 0.00 N ATOM 1157 CA ALA A 77 -0.749 -26.326 -7.585 1.00 0.00 C ATOM 1158 C ALA A 77 -1.672 -26.439 -8.836 1.00 0.00 C ATOM 1159 O ALA A 77 -2.065 -27.557 -9.181 1.00 0.00 O ATOM 1160 CB ALA A 77 -1.531 -25.865 -6.345 1.00 0.00 C ATOM 0 H ALA A 77 0.401 -24.577 -7.258 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.385 -27.346 -7.465 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.424 -26.479 -6.229 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.903 -25.967 -5.460 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.822 -24.821 -6.465 1.00 0.00 H new ATOM 1166 N VAL A 78 -2.024 -25.322 -9.508 1.00 0.00 N ATOM 1167 CA VAL A 78 -2.885 -25.344 -10.734 1.00 0.00 C ATOM 1168 C VAL A 78 -2.134 -25.963 -11.964 1.00 0.00 C ATOM 1169 O VAL A 78 -2.598 -26.955 -12.531 1.00 0.00 O ATOM 1170 CB VAL A 78 -3.560 -23.950 -11.005 1.00 0.00 C ATOM 1171 CG1 VAL A 78 -4.528 -23.963 -12.212 1.00 0.00 C ATOM 1172 CG2 VAL A 78 -4.345 -23.371 -9.800 1.00 0.00 C ATOM 0 H VAL A 78 -1.730 -24.386 -9.230 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.719 -26.021 -10.549 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.701 -23.312 -11.212 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.959 -22.971 -12.343 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.982 -24.244 -13.113 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.325 -24.684 -12.031 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.777 -22.409 -10.076 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.142 -24.060 -9.520 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.669 -23.237 -8.956 1.00 0.00 H new ATOM 1182 N ALA A 79 -0.981 -25.388 -12.343 1.00 0.00 N ATOM 1183 CA ALA A 79 -0.084 -25.955 -13.375 1.00 0.00 C ATOM 1184 C ALA A 79 0.921 -26.937 -12.748 1.00 0.00 C ATOM 1185 O ALA A 79 1.275 -27.978 -13.304 1.00 0.00 O ATOM 1186 CB ALA A 79 0.652 -24.790 -14.057 1.00 0.00 C ATOM 0 H ALA A 79 -0.640 -24.514 -11.944 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.667 -26.512 -14.108 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.321 -25.181 -14.823 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.074 -24.120 -14.517 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.232 -24.242 -13.315 1.00 0.00 H new TER 1192 ALA A 79