USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 616 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 TYR OH : rot -24:sc= 1.41 USER MOD Set 1.2: A 73 TYR OH : rot 92:sc= -0.145 USER MOD Single : A 1 MET CE :methyl 142:sc= -0.247 (180deg=-1.08) USER MOD Single : A 1 MET N :NH3+ 164:sc= 1.24 (180deg=0.376) USER MOD Single : A 3 ASN : amide:sc= -2.42! C(o=-2.4!,f=-5!) USER MOD Single : A 5 ASN : amide:sc= -2.19 K(o=-2.2,f=-5.8!) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl -162:sc= -0.102 (180deg=-0.631) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -174:sc= -6.16! (180deg=-6.36!) USER MOD Single : A 34 LYS NZ :NH3+ 166:sc= -0.0307 (180deg=-0.27) USER MOD Single : A 42 GLN : amide:sc= -2.33 K(o=-2.3,f=-4!) USER MOD Single : A 51 THR OG1 : rot 45:sc= 0.982 USER MOD Single : A 52 GLN :FLIP amide:sc= 0 F(o=-0.5,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 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.482 -29.295 4.535 1.00 0.00 N ATOM 2 CA MET A 1 -4.511 -28.414 3.833 1.00 0.00 C ATOM 3 C MET A 1 -4.208 -28.951 2.434 1.00 0.00 C ATOM 4 O MET A 1 -4.979 -29.739 1.885 1.00 0.00 O ATOM 5 CB MET A 1 -3.222 -28.323 4.664 1.00 0.00 C ATOM 6 CG MET A 1 -3.416 -27.742 6.059 1.00 0.00 C ATOM 7 SD MET A 1 -4.217 -28.887 7.202 1.00 0.00 S ATOM 8 CE MET A 1 -3.047 -30.242 7.198 1.00 0.00 C ATOM 0 H1 MET A 1 -5.472 -29.082 5.553 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.437 -29.130 4.157 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.218 -30.290 4.387 1.00 0.00 H new ATOM 0 HA MET A 1 -4.943 -27.419 3.723 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.791 -29.320 4.755 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.499 -27.711 4.125 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.446 -27.454 6.464 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.014 -26.833 5.987 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.967 -30.657 8.203 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.390 -31.017 6.512 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.071 -29.879 6.877 1.00 0.00 H new ATOM 20 N GLU A 2 -3.086 -28.519 1.862 1.00 0.00 N ATOM 21 CA GLU A 2 -2.683 -28.955 0.526 1.00 0.00 C ATOM 22 C GLU A 2 -3.641 -28.431 -0.545 1.00 0.00 C ATOM 23 O GLU A 2 -3.593 -28.868 -1.696 1.00 0.00 O ATOM 24 CB GLU A 2 -2.610 -30.482 0.460 1.00 0.00 C ATOM 25 CG GLU A 2 -1.646 -31.088 1.467 1.00 0.00 C ATOM 26 CD GLU A 2 -1.593 -32.601 1.386 1.00 0.00 C ATOM 27 OE1 GLU A 2 -2.646 -33.243 1.586 1.00 0.00 O ATOM 28 OE2 GLU A 2 -0.501 -33.144 1.122 1.00 0.00 O ATOM 0 H GLU A 2 -2.438 -27.866 2.304 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.694 -28.542 0.329 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.605 -30.893 0.629 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -2.309 -30.780 -0.544 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.648 -30.684 1.298 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.944 -30.792 2.473 1.00 0.00 H new ATOM 35 N ASN A 3 -4.504 -27.491 -0.168 1.00 0.00 N ATOM 36 CA ASN A 3 -5.460 -26.910 -1.103 1.00 0.00 C ATOM 37 C ASN A 3 -5.793 -25.477 -0.708 1.00 0.00 C ATOM 38 O ASN A 3 -5.598 -24.546 -1.489 1.00 0.00 O ATOM 39 CB ASN A 3 -6.742 -27.745 -1.159 1.00 0.00 C ATOM 40 CG ASN A 3 -6.498 -29.162 -1.644 1.00 0.00 C ATOM 41 OD1 ASN A 3 -5.808 -29.946 -0.993 1.00 0.00 O ATOM 42 ND2 ASN A 3 -7.065 -29.497 -2.797 1.00 0.00 N ATOM 0 H ASN A 3 -4.560 -27.116 0.779 1.00 0.00 H new ATOM 0 HA ASN A 3 -5.002 -26.906 -2.092 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -7.193 -27.778 -0.167 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -7.459 -27.258 -1.819 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -6.936 -30.436 -3.175 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -7.630 -28.816 -3.305 1.00 0.00 H new ATOM 49 N LEU A 4 -6.282 -25.304 0.515 1.00 0.00 N ATOM 50 CA LEU A 4 -6.625 -23.979 1.018 1.00 0.00 C ATOM 51 C LEU A 4 -5.365 -23.163 1.287 1.00 0.00 C ATOM 52 O LEU A 4 -5.436 -21.967 1.569 1.00 0.00 O ATOM 53 CB LEU A 4 -7.460 -24.090 2.295 1.00 0.00 C ATOM 54 CG LEU A 4 -8.788 -24.832 2.138 1.00 0.00 C ATOM 55 CD1 LEU A 4 -9.535 -24.877 3.461 1.00 0.00 C ATOM 56 CD2 LEU A 4 -9.642 -24.175 1.064 1.00 0.00 C ATOM 0 H LEU A 4 -6.450 -26.063 1.175 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.215 -23.469 0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.866 -24.596 3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.664 -23.086 2.666 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.575 -25.856 1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.477 -25.409 3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.928 -25.394 4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.736 -23.861 3.800 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.583 -24.716 0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.845 -23.141 1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.110 -24.196 0.113 1.00 0.00 H new ATOM 68 N ASN A 5 -4.212 -23.816 1.187 1.00 0.00 N ATOM 69 CA ASN A 5 -2.943 -23.164 1.407 1.00 0.00 C ATOM 70 C ASN A 5 -2.656 -22.209 0.265 1.00 0.00 C ATOM 71 O ASN A 5 -2.640 -20.993 0.448 1.00 0.00 O ATOM 72 CB ASN A 5 -1.833 -24.206 1.522 1.00 0.00 C ATOM 73 CG ASN A 5 -0.563 -23.635 2.111 1.00 0.00 C ATOM 74 OD1 ASN A 5 0.103 -22.800 1.500 1.00 0.00 O ATOM 75 ND2 ASN A 5 -0.230 -24.075 3.316 1.00 0.00 N ATOM 0 H ASN A 5 -4.139 -24.806 0.952 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.985 -22.599 2.338 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.178 -25.033 2.143 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -1.620 -24.616 0.535 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.609 -23.720 3.775 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -0.813 -24.768 3.785 1.00 0.00 H new ATOM 82 N MET A 6 -2.463 -22.768 -0.924 1.00 0.00 N ATOM 83 CA MET A 6 -2.214 -21.967 -2.109 1.00 0.00 C ATOM 84 C MET A 6 -3.255 -20.859 -2.205 1.00 0.00 C ATOM 85 O MET A 6 -2.975 -19.756 -2.682 1.00 0.00 O ATOM 86 CB MET A 6 -2.273 -22.848 -3.357 1.00 0.00 C ATOM 87 CG MET A 6 -1.254 -23.978 -3.351 1.00 0.00 C ATOM 88 SD MET A 6 -1.445 -25.096 -4.754 1.00 0.00 S ATOM 89 CE MET A 6 -0.129 -26.268 -4.434 1.00 0.00 C ATOM 0 H MET A 6 -2.475 -23.774 -1.090 1.00 0.00 H new ATOM 0 HA MET A 6 -1.221 -21.522 -2.039 1.00 0.00 H new ATOM 0 HB2 MET A 6 -3.273 -23.272 -3.446 1.00 0.00 H new ATOM 0 HB3 MET A 6 -2.110 -22.227 -4.238 1.00 0.00 H new ATOM 0 HG2 MET A 6 -0.249 -23.556 -3.363 1.00 0.00 H new ATOM 0 HG3 MET A 6 -1.351 -24.544 -2.425 1.00 0.00 H new ATOM 0 HE1 MET A 6 -0.118 -27.025 -5.218 1.00 0.00 H new ATOM 0 HE2 MET A 6 0.828 -25.746 -4.420 1.00 0.00 H new ATOM 0 HE3 MET A 6 -0.295 -26.747 -3.469 1.00 0.00 H new ATOM 99 N ASP A 7 -4.459 -21.164 -1.724 1.00 0.00 N ATOM 100 CA ASP A 7 -5.550 -20.203 -1.730 1.00 0.00 C ATOM 101 C ASP A 7 -5.276 -19.101 -0.718 1.00 0.00 C ATOM 102 O ASP A 7 -5.552 -17.928 -0.969 1.00 0.00 O ATOM 103 CB ASP A 7 -6.874 -20.896 -1.410 1.00 0.00 C ATOM 104 CG ASP A 7 -8.051 -19.938 -1.430 1.00 0.00 C ATOM 105 OD1 ASP A 7 -8.043 -18.971 -0.641 1.00 0.00 O ATOM 106 OD2 ASP A 7 -8.979 -20.157 -2.236 1.00 0.00 O ATOM 0 H ASP A 7 -4.700 -22.072 -1.326 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.623 -19.762 -2.724 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.047 -21.694 -2.132 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.807 -21.364 -0.428 1.00 0.00 H new ATOM 111 N LEU A 8 -4.721 -19.494 0.423 1.00 0.00 N ATOM 112 CA LEU A 8 -4.391 -18.554 1.485 1.00 0.00 C ATOM 113 C LEU A 8 -3.243 -17.648 1.056 1.00 0.00 C ATOM 114 O LEU A 8 -3.282 -16.438 1.268 1.00 0.00 O ATOM 115 CB LEU A 8 -4.022 -19.315 2.765 1.00 0.00 C ATOM 116 CG LEU A 8 -3.818 -18.451 4.014 1.00 0.00 C ATOM 117 CD1 LEU A 8 -2.584 -17.572 3.873 1.00 0.00 C ATOM 118 CD2 LEU A 8 -5.052 -17.601 4.277 1.00 0.00 C ATOM 0 H LEU A 8 -4.489 -20.464 0.636 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.263 -17.932 1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.807 -20.042 2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.107 -19.877 2.581 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.664 -19.114 4.865 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.462 -16.969 4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.704 -18.200 3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.701 -16.916 3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.892 -16.993 5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.235 -16.951 3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.914 -18.250 4.431 1.00 0.00 H new ATOM 130 N LEU A 9 -2.219 -18.242 0.448 1.00 0.00 N ATOM 131 CA LEU A 9 -1.060 -17.482 -0.012 1.00 0.00 C ATOM 132 C LEU A 9 -1.467 -16.399 -1.007 1.00 0.00 C ATOM 133 O LEU A 9 -1.168 -15.218 -0.808 1.00 0.00 O ATOM 134 CB LEU A 9 -0.014 -18.408 -0.639 1.00 0.00 C ATOM 135 CG LEU A 9 0.857 -19.180 0.358 1.00 0.00 C ATOM 136 CD1 LEU A 9 0.008 -20.081 1.239 1.00 0.00 C ATOM 137 CD2 LEU A 9 1.911 -19.993 -0.377 1.00 0.00 C ATOM 0 H LEU A 9 -2.168 -19.244 0.263 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.620 -16.997 0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.525 -19.125 -1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.636 -17.813 -1.280 1.00 0.00 H new ATOM 0 HG LEU A 9 1.360 -18.457 1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.651 -20.617 1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.708 -19.476 1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.529 -20.797 0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.521 -20.535 0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.423 -20.703 -1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.546 -19.325 -0.959 1.00 0.00 H new ATOM 149 N TYR A 10 -2.152 -16.792 -2.078 1.00 0.00 N ATOM 150 CA TYR A 10 -2.586 -15.823 -3.079 1.00 0.00 C ATOM 151 C TYR A 10 -3.479 -14.758 -2.460 1.00 0.00 C ATOM 152 O TYR A 10 -3.192 -13.564 -2.559 1.00 0.00 O ATOM 153 CB TYR A 10 -3.315 -16.506 -4.232 1.00 0.00 C ATOM 154 CG TYR A 10 -2.388 -17.007 -5.312 1.00 0.00 C ATOM 155 CD1 TYR A 10 -1.697 -18.202 -5.176 1.00 0.00 C ATOM 156 CD2 TYR A 10 -2.196 -16.267 -6.468 1.00 0.00 C ATOM 157 CE1 TYR A 10 -0.845 -18.646 -6.167 1.00 0.00 C ATOM 158 CE2 TYR A 10 -1.347 -16.703 -7.461 1.00 0.00 C ATOM 159 CZ TYR A 10 -0.673 -17.893 -7.309 1.00 0.00 C ATOM 160 OH TYR A 10 0.176 -18.333 -8.299 1.00 0.00 O ATOM 0 H TYR A 10 -2.415 -17.758 -2.273 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.690 -15.342 -3.472 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.893 -17.344 -3.842 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.026 -15.805 -4.669 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.828 -18.794 -4.282 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.722 -15.332 -6.592 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.315 -19.580 -6.048 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.211 -16.113 -8.355 1.00 0.00 H new ATOM 0 HH TYR A 10 0.842 -18.939 -7.913 1.00 0.00 H new ATOM 170 N MET A 11 -4.557 -15.188 -1.815 1.00 0.00 N ATOM 171 CA MET A 11 -5.474 -14.251 -1.179 1.00 0.00 C ATOM 172 C MET A 11 -4.736 -13.402 -0.149 1.00 0.00 C ATOM 173 O MET A 11 -5.202 -12.331 0.235 1.00 0.00 O ATOM 174 CB MET A 11 -6.633 -14.995 -0.508 1.00 0.00 C ATOM 175 CG MET A 11 -6.232 -15.754 0.746 1.00 0.00 C ATOM 176 SD MET A 11 -7.597 -16.704 1.447 1.00 0.00 S ATOM 177 CE MET A 11 -8.774 -15.400 1.794 1.00 0.00 C ATOM 0 H MET A 11 -4.816 -16.170 -1.719 1.00 0.00 H new ATOM 0 HA MET A 11 -5.881 -13.598 -1.951 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.413 -14.278 -0.253 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.065 -15.696 -1.223 1.00 0.00 H new ATOM 0 HG2 MET A 11 -5.408 -16.428 0.511 1.00 0.00 H new ATOM 0 HG3 MET A 11 -5.864 -15.049 1.491 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.518 -15.761 2.505 1.00 0.00 H new ATOM 0 HE2 MET A 11 -8.252 -14.542 2.219 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.270 -15.102 0.870 1.00 0.00 H new ATOM 187 N ALA A 12 -3.576 -13.888 0.296 1.00 0.00 N ATOM 188 CA ALA A 12 -2.784 -13.176 1.273 1.00 0.00 C ATOM 189 C ALA A 12 -2.127 -11.961 0.644 1.00 0.00 C ATOM 190 O ALA A 12 -2.241 -10.856 1.155 1.00 0.00 O ATOM 191 CB ALA A 12 -1.737 -14.094 1.891 1.00 0.00 C ATOM 0 H ALA A 12 -3.173 -14.773 -0.011 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.448 -12.834 2.067 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.152 -13.538 2.623 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.232 -14.932 2.382 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.077 -14.471 1.110 1.00 0.00 H new ATOM 197 N ALA A 13 -1.434 -12.179 -0.468 1.00 0.00 N ATOM 198 CA ALA A 13 -0.755 -11.106 -1.170 1.00 0.00 C ATOM 199 C ALA A 13 -1.729 -10.242 -1.970 1.00 0.00 C ATOM 200 O ALA A 13 -1.383 -9.141 -2.394 1.00 0.00 O ATOM 201 CB ALA A 13 0.313 -11.681 -2.091 1.00 0.00 C ATOM 0 H ALA A 13 -1.330 -13.096 -0.902 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.286 -10.466 -0.422 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.818 -10.869 -2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.040 -12.240 -1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.153 -12.346 -2.818 1.00 0.00 H new ATOM 207 N ALA A 14 -2.953 -10.727 -2.165 1.00 0.00 N ATOM 208 CA ALA A 14 -3.951 -9.967 -2.908 1.00 0.00 C ATOM 209 C ALA A 14 -4.709 -9.071 -1.954 1.00 0.00 C ATOM 210 O ALA A 14 -5.024 -7.921 -2.261 1.00 0.00 O ATOM 211 CB ALA A 14 -4.899 -10.899 -3.646 1.00 0.00 C ATOM 0 H ALA A 14 -3.274 -11.633 -1.823 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.450 -9.350 -3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.635 -10.310 -4.193 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.333 -11.514 -4.346 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.409 -11.542 -2.929 1.00 0.00 H new ATOM 217 N VAL A 15 -4.964 -9.612 -0.779 1.00 0.00 N ATOM 218 CA VAL A 15 -5.647 -8.895 0.272 1.00 0.00 C ATOM 219 C VAL A 15 -4.669 -7.941 0.948 1.00 0.00 C ATOM 220 O VAL A 15 -5.024 -6.826 1.328 1.00 0.00 O ATOM 221 CB VAL A 15 -6.207 -9.891 1.301 1.00 0.00 C ATOM 222 CG1 VAL A 15 -6.674 -9.180 2.565 1.00 0.00 C ATOM 223 CG2 VAL A 15 -7.342 -10.698 0.690 1.00 0.00 C ATOM 0 H VAL A 15 -4.701 -10.565 -0.528 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.473 -8.324 -0.152 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.404 -10.572 1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.064 -9.913 3.272 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.834 -8.652 3.017 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.458 -8.466 2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.729 -11.399 1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.140 -10.024 0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.972 -11.250 -0.174 1.00 0.00 H new ATOM 233 N MET A 16 -3.431 -8.403 1.079 1.00 0.00 N ATOM 234 CA MET A 16 -2.369 -7.623 1.697 1.00 0.00 C ATOM 235 C MET A 16 -1.889 -6.516 0.780 1.00 0.00 C ATOM 236 O MET A 16 -1.843 -5.354 1.177 1.00 0.00 O ATOM 237 CB MET A 16 -1.189 -8.531 2.064 1.00 0.00 C ATOM 238 CG MET A 16 -1.425 -9.366 3.312 1.00 0.00 C ATOM 239 SD MET A 16 -0.043 -10.461 3.687 1.00 0.00 S ATOM 240 CE MET A 16 -0.644 -11.271 5.168 1.00 0.00 C ATOM 0 H MET A 16 -3.137 -9.326 0.760 1.00 0.00 H new ATOM 0 HA MET A 16 -2.776 -7.169 2.600 1.00 0.00 H new ATOM 0 HB2 MET A 16 -0.980 -9.197 1.226 1.00 0.00 H new ATOM 0 HB3 MET A 16 -0.301 -7.916 2.212 1.00 0.00 H new ATOM 0 HG2 MET A 16 -1.599 -8.704 4.160 1.00 0.00 H new ATOM 0 HG3 MET A 16 -2.329 -9.960 3.181 1.00 0.00 H new ATOM 0 HE1 MET A 16 0.103 -11.982 5.523 1.00 0.00 H new ATOM 0 HE2 MET A 16 -0.831 -10.525 5.940 1.00 0.00 H new ATOM 0 HE3 MET A 16 -1.570 -11.800 4.943 1.00 0.00 H new ATOM 250 N MET A 17 -1.524 -6.871 -0.444 1.00 0.00 N ATOM 251 CA MET A 17 -1.043 -5.878 -1.385 1.00 0.00 C ATOM 252 C MET A 17 -2.195 -5.068 -1.922 1.00 0.00 C ATOM 253 O MET A 17 -2.086 -3.857 -2.097 1.00 0.00 O ATOM 254 CB MET A 17 -0.280 -6.540 -2.533 1.00 0.00 C ATOM 255 CG MET A 17 0.797 -7.510 -2.071 1.00 0.00 C ATOM 256 SD MET A 17 1.752 -8.201 -3.439 1.00 0.00 S ATOM 257 CE MET A 17 0.466 -9.004 -4.392 1.00 0.00 C ATOM 0 H MET A 17 -1.552 -7.826 -0.802 1.00 0.00 H new ATOM 0 HA MET A 17 -0.358 -5.212 -0.860 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.988 -7.072 -3.169 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.180 -5.765 -3.147 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.472 -6.997 -1.386 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.332 -8.322 -1.512 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.916 -9.565 -5.211 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.092 -9.685 -3.749 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.210 -8.251 -4.797 1.00 0.00 H new ATOM 267 N GLY A 18 -3.312 -5.729 -2.154 1.00 0.00 N ATOM 268 CA GLY A 18 -4.467 -5.021 -2.631 1.00 0.00 C ATOM 269 C GLY A 18 -4.881 -3.965 -1.634 1.00 0.00 C ATOM 270 O GLY A 18 -4.903 -2.775 -1.947 1.00 0.00 O ATOM 0 H GLY A 18 -3.437 -6.733 -2.022 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.247 -4.557 -3.592 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.288 -5.719 -2.795 1.00 0.00 H new ATOM 274 N LEU A 19 -5.183 -4.402 -0.416 1.00 0.00 N ATOM 275 CA LEU A 19 -5.592 -3.489 0.633 1.00 0.00 C ATOM 276 C LEU A 19 -4.471 -2.541 1.047 1.00 0.00 C ATOM 277 O LEU A 19 -4.747 -1.439 1.517 1.00 0.00 O ATOM 278 CB LEU A 19 -6.086 -4.265 1.855 1.00 0.00 C ATOM 279 CG LEU A 19 -7.285 -5.181 1.601 1.00 0.00 C ATOM 280 CD1 LEU A 19 -7.698 -5.886 2.883 1.00 0.00 C ATOM 281 CD2 LEU A 19 -8.449 -4.387 1.028 1.00 0.00 C ATOM 0 H LEU A 19 -5.151 -5.382 -0.136 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.404 -2.886 0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.263 -4.867 2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.352 -3.552 2.636 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.993 -5.938 0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.552 -6.533 2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.866 -6.486 3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.972 -5.145 3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.293 -5.054 0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.741 -3.609 1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.148 -3.928 0.086 1.00 0.00 H new ATOM 293 N ALA A 20 -3.209 -2.947 0.896 1.00 0.00 N ATOM 294 CA ALA A 20 -2.120 -2.073 1.303 1.00 0.00 C ATOM 295 C ALA A 20 -1.701 -1.136 0.194 1.00 0.00 C ATOM 296 O ALA A 20 -1.960 0.066 0.258 1.00 0.00 O ATOM 297 CB ALA A 20 -0.940 -2.887 1.788 1.00 0.00 C ATOM 0 H ALA A 20 -2.926 -3.847 0.507 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.486 -1.458 2.125 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.135 -2.217 2.088 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.243 -3.495 2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.591 -3.536 0.985 1.00 0.00 H new ATOM 303 N ALA A 21 -1.052 -1.680 -0.824 1.00 0.00 N ATOM 304 CA ALA A 21 -0.608 -0.872 -1.942 1.00 0.00 C ATOM 305 C ALA A 21 -1.741 0.036 -2.415 1.00 0.00 C ATOM 306 O ALA A 21 -1.517 1.204 -2.734 1.00 0.00 O ATOM 307 CB ALA A 21 -0.126 -1.759 -3.081 1.00 0.00 C ATOM 0 H ALA A 21 -0.824 -2.671 -0.896 1.00 0.00 H new ATOM 0 HA ALA A 21 0.226 -0.250 -1.615 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.204 -1.136 -3.913 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.705 -2.374 -2.736 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.941 -2.403 -3.411 1.00 0.00 H new ATOM 313 N ILE A 22 -2.970 -0.501 -2.437 1.00 0.00 N ATOM 314 CA ILE A 22 -4.117 0.289 -2.854 1.00 0.00 C ATOM 315 C ILE A 22 -4.697 1.060 -1.673 1.00 0.00 C ATOM 316 O ILE A 22 -5.179 2.176 -1.847 1.00 0.00 O ATOM 317 CB ILE A 22 -5.221 -0.565 -3.510 1.00 0.00 C ATOM 318 CG1 ILE A 22 -4.705 -1.237 -4.788 1.00 0.00 C ATOM 319 CG2 ILE A 22 -6.441 0.291 -3.826 1.00 0.00 C ATOM 320 CD1 ILE A 22 -3.504 -2.135 -4.577 1.00 0.00 C ATOM 0 H ILE A 22 -3.184 -1.463 -2.174 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.754 0.989 -3.606 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.510 -1.343 -2.803 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.511 -1.825 -5.227 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.444 -0.464 -5.511 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.210 -0.328 -4.288 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.830 0.725 -2.905 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.157 1.090 -4.511 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.203 -2.570 -5.530 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.680 -1.550 -4.169 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.763 -2.932 -3.880 1.00 0.00 H new ATOM 332 N GLY A 23 -4.633 0.493 -0.460 1.00 0.00 N ATOM 333 CA GLY A 23 -5.146 1.218 0.686 1.00 0.00 C ATOM 334 C GLY A 23 -4.479 2.570 0.775 1.00 0.00 C ATOM 335 O GLY A 23 -5.133 3.602 0.956 1.00 0.00 O ATOM 0 H GLY A 23 -4.245 -0.429 -0.261 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.226 1.340 0.598 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.963 0.651 1.599 1.00 0.00 H new ATOM 339 N ALA A 24 -3.164 2.555 0.601 1.00 0.00 N ATOM 340 CA ALA A 24 -2.379 3.771 0.620 1.00 0.00 C ATOM 341 C ALA A 24 -2.642 4.577 -0.639 1.00 0.00 C ATOM 342 O ALA A 24 -2.951 5.759 -0.562 1.00 0.00 O ATOM 343 CB ALA A 24 -0.902 3.449 0.749 1.00 0.00 C ATOM 0 H ALA A 24 -2.621 1.706 0.445 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.673 4.366 1.485 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.327 4.375 0.762 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.728 2.902 1.676 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.587 2.838 -0.097 1.00 0.00 H new ATOM 349 N ALA A 25 -2.533 3.933 -1.807 1.00 0.00 N ATOM 350 CA ALA A 25 -2.782 4.627 -3.072 1.00 0.00 C ATOM 351 C ALA A 25 -4.067 5.452 -2.992 1.00 0.00 C ATOM 352 O ALA A 25 -4.049 6.680 -3.134 1.00 0.00 O ATOM 353 CB ALA A 25 -2.858 3.631 -4.221 1.00 0.00 C ATOM 0 H ALA A 25 -2.279 2.950 -1.901 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.950 5.307 -3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.044 4.164 -5.153 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.916 3.088 -4.295 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.669 2.926 -4.039 1.00 0.00 H new ATOM 359 N ILE A 26 -5.180 4.771 -2.740 1.00 0.00 N ATOM 360 CA ILE A 26 -6.470 5.434 -2.616 1.00 0.00 C ATOM 361 C ILE A 26 -6.395 6.552 -1.596 1.00 0.00 C ATOM 362 O ILE A 26 -6.832 7.660 -1.870 1.00 0.00 O ATOM 363 CB ILE A 26 -7.582 4.445 -2.214 1.00 0.00 C ATOM 364 CG1 ILE A 26 -7.680 3.312 -3.238 1.00 0.00 C ATOM 365 CG2 ILE A 26 -8.918 5.165 -2.086 1.00 0.00 C ATOM 366 CD1 ILE A 26 -8.736 2.283 -2.902 1.00 0.00 C ATOM 0 H ILE A 26 -5.213 3.759 -2.618 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.717 5.848 -3.594 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.330 4.016 -1.244 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.897 3.737 -4.218 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.712 2.816 -3.313 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -9.691 4.451 -1.802 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.842 5.940 -1.323 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.179 5.620 -3.041 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.749 1.510 -3.671 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.509 1.831 -1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.712 2.765 -2.856 1.00 0.00 H new ATOM 378 N GLY A 27 -5.828 6.271 -0.426 1.00 0.00 N ATOM 379 CA GLY A 27 -5.712 7.305 0.583 1.00 0.00 C ATOM 380 C GLY A 27 -4.989 8.519 0.061 1.00 0.00 C ATOM 381 O GLY A 27 -5.370 9.642 0.347 1.00 0.00 O ATOM 0 H GLY A 27 -5.453 5.360 -0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.706 7.593 0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.180 6.910 1.449 1.00 0.00 H new ATOM 385 N ILE A 28 -3.954 8.297 -0.731 1.00 0.00 N ATOM 386 CA ILE A 28 -3.213 9.400 -1.314 1.00 0.00 C ATOM 387 C ILE A 28 -4.159 10.217 -2.175 1.00 0.00 C ATOM 388 O ILE A 28 -4.068 11.442 -2.244 1.00 0.00 O ATOM 389 CB ILE A 28 -2.039 8.893 -2.169 1.00 0.00 C ATOM 390 CG1 ILE A 28 -1.094 8.058 -1.309 1.00 0.00 C ATOM 391 CG2 ILE A 28 -1.297 10.059 -2.804 1.00 0.00 C ATOM 392 CD1 ILE A 28 -0.072 7.284 -2.111 1.00 0.00 C ATOM 0 H ILE A 28 -3.610 7.370 -0.983 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.801 10.013 -0.512 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.431 8.266 -2.970 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.575 8.715 -0.611 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.681 7.359 -0.712 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.470 9.680 -3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.980 10.622 -3.440 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.908 10.712 -2.022 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.565 6.714 -1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.583 6.601 -2.790 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.540 7.978 -2.687 1.00 0.00 H new ATOM 404 N GLY A 29 -5.089 9.512 -2.814 1.00 0.00 N ATOM 405 CA GLY A 29 -6.070 10.165 -3.653 1.00 0.00 C ATOM 406 C GLY A 29 -7.158 10.841 -2.842 1.00 0.00 C ATOM 407 O GLY A 29 -7.645 11.908 -3.220 1.00 0.00 O ATOM 0 H GLY A 29 -5.178 8.497 -2.763 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.574 10.905 -4.280 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.520 9.431 -4.321 1.00 0.00 H new ATOM 411 N ILE A 30 -7.542 10.230 -1.719 1.00 0.00 N ATOM 412 CA ILE A 30 -8.582 10.806 -0.871 1.00 0.00 C ATOM 413 C ILE A 30 -8.021 11.964 -0.055 1.00 0.00 C ATOM 414 O ILE A 30 -8.456 13.110 -0.183 1.00 0.00 O ATOM 415 CB ILE A 30 -9.181 9.752 0.083 1.00 0.00 C ATOM 416 CG1 ILE A 30 -9.740 8.573 -0.715 1.00 0.00 C ATOM 417 CG2 ILE A 30 -10.269 10.370 0.950 1.00 0.00 C ATOM 418 CD1 ILE A 30 -10.837 8.964 -1.682 1.00 0.00 C ATOM 0 H ILE A 30 -7.154 9.349 -1.381 1.00 0.00 H new ATOM 0 HA ILE A 30 -9.373 11.169 -1.527 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.389 9.387 0.737 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.928 8.103 -1.270 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -10.127 7.826 -0.022 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.679 9.611 1.616 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -9.845 11.181 1.542 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.063 10.761 0.314 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.186 8.079 -2.213 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.667 9.407 -1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.449 9.688 -2.399 1.00 0.00 H new ATOM 430 N LEU A 31 -7.034 11.647 0.768 1.00 0.00 N ATOM 431 CA LEU A 31 -6.372 12.627 1.604 1.00 0.00 C ATOM 432 C LEU A 31 -5.680 13.680 0.746 1.00 0.00 C ATOM 433 O LEU A 31 -5.735 14.871 1.045 1.00 0.00 O ATOM 434 CB LEU A 31 -5.361 11.918 2.509 1.00 0.00 C ATOM 435 CG LEU A 31 -5.678 11.971 4.004 1.00 0.00 C ATOM 436 CD1 LEU A 31 -4.665 11.158 4.794 1.00 0.00 C ATOM 437 CD2 LEU A 31 -5.704 13.412 4.491 1.00 0.00 C ATOM 0 H LEU A 31 -6.671 10.700 0.873 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.113 13.133 2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.295 10.873 2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.378 12.361 2.346 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.665 11.536 4.163 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.907 11.208 5.856 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.694 10.120 4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.666 11.563 4.630 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.931 13.432 5.557 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.731 13.872 4.319 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.469 13.966 3.947 1.00 0.00 H new ATOM 449 N GLY A 32 -5.038 13.234 -0.332 1.00 0.00 N ATOM 450 CA GLY A 32 -4.358 14.157 -1.220 1.00 0.00 C ATOM 451 C GLY A 32 -5.331 15.024 -1.991 1.00 0.00 C ATOM 452 O GLY A 32 -5.104 16.221 -2.167 1.00 0.00 O ATOM 0 H GLY A 32 -4.978 12.253 -0.604 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.688 14.792 -0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.739 13.596 -1.920 1.00 0.00 H new ATOM 456 N GLY A 33 -6.425 14.419 -2.447 1.00 0.00 N ATOM 457 CA GLY A 33 -7.424 15.159 -3.191 1.00 0.00 C ATOM 458 C GLY A 33 -8.010 16.303 -2.386 1.00 0.00 C ATOM 459 O GLY A 33 -8.173 17.412 -2.897 1.00 0.00 O ATOM 0 H GLY A 33 -6.635 13.430 -2.313 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.977 15.552 -4.104 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.224 14.483 -3.493 1.00 0.00 H new ATOM 463 N LYS A 34 -8.323 16.035 -1.122 1.00 0.00 N ATOM 464 CA LYS A 34 -8.891 17.053 -0.244 1.00 0.00 C ATOM 465 C LYS A 34 -7.809 17.978 0.282 1.00 0.00 C ATOM 466 O LYS A 34 -8.062 19.150 0.558 1.00 0.00 O ATOM 467 CB LYS A 34 -9.632 16.398 0.924 1.00 0.00 C ATOM 468 CG LYS A 34 -8.750 15.539 1.825 1.00 0.00 C ATOM 469 CD LYS A 34 -8.080 16.354 2.925 1.00 0.00 C ATOM 470 CE LYS A 34 -9.102 16.975 3.865 1.00 0.00 C ATOM 471 NZ LYS A 34 -9.979 15.947 4.490 1.00 0.00 N ATOM 0 H LYS A 34 -8.193 15.123 -0.683 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.599 17.644 -0.826 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.097 17.178 1.527 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.437 15.780 0.527 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.353 14.751 2.276 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.986 15.049 1.222 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.405 15.714 3.493 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.472 17.140 2.477 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.585 17.534 4.645 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.715 17.689 3.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.494 16.369 5.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.659 15.597 3.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.397 15.156 4.833 1.00 0.00 H new ATOM 485 N PHE A 35 -6.604 17.446 0.429 1.00 0.00 N ATOM 486 CA PHE A 35 -5.497 18.234 0.934 1.00 0.00 C ATOM 487 C PHE A 35 -5.054 19.258 -0.108 1.00 0.00 C ATOM 488 O PHE A 35 -4.661 20.375 0.228 1.00 0.00 O ATOM 489 CB PHE A 35 -4.327 17.325 1.327 1.00 0.00 C ATOM 490 CG PHE A 35 -3.196 18.025 2.028 1.00 0.00 C ATOM 491 CD1 PHE A 35 -3.287 19.358 2.404 1.00 0.00 C ATOM 492 CD2 PHE A 35 -2.034 17.333 2.313 1.00 0.00 C ATOM 493 CE1 PHE A 35 -2.236 19.983 3.046 1.00 0.00 C ATOM 494 CE2 PHE A 35 -0.983 17.952 2.952 1.00 0.00 C ATOM 495 CZ PHE A 35 -1.081 19.277 3.319 1.00 0.00 C ATOM 0 H PHE A 35 -6.372 16.478 0.206 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.830 18.769 1.823 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.702 16.532 1.974 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.939 16.846 0.428 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.189 19.912 2.192 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.949 16.294 2.031 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.317 21.021 3.334 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.081 17.399 3.166 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.256 19.762 3.819 1.00 0.00 H new ATOM 505 N LEU A 36 -5.135 18.877 -1.379 1.00 0.00 N ATOM 506 CA LEU A 36 -4.753 19.773 -2.465 1.00 0.00 C ATOM 507 C LEU A 36 -5.620 21.025 -2.453 1.00 0.00 C ATOM 508 O LEU A 36 -5.131 22.135 -2.661 1.00 0.00 O ATOM 509 CB LEU A 36 -4.879 19.068 -3.816 1.00 0.00 C ATOM 510 CG LEU A 36 -4.512 19.929 -5.025 1.00 0.00 C ATOM 511 CD1 LEU A 36 -3.059 20.370 -4.945 1.00 0.00 C ATOM 512 CD2 LEU A 36 -4.772 19.171 -6.317 1.00 0.00 C ATOM 0 H LEU A 36 -5.460 17.959 -1.681 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.713 20.061 -2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.241 18.184 -3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.905 18.719 -3.934 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.140 20.820 -5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.816 20.982 -5.814 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.905 20.952 -4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.413 19.492 -4.927 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.505 19.799 -7.167 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.170 18.263 -6.333 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.828 18.907 -6.378 1.00 0.00 H new ATOM 524 N GLU A 37 -6.914 20.839 -2.200 1.00 0.00 N ATOM 525 CA GLU A 37 -7.851 21.956 -2.152 1.00 0.00 C ATOM 526 C GLU A 37 -7.369 23.012 -1.167 1.00 0.00 C ATOM 527 O GLU A 37 -7.554 24.210 -1.383 1.00 0.00 O ATOM 528 CB GLU A 37 -9.244 21.466 -1.755 1.00 0.00 C ATOM 529 CG GLU A 37 -9.826 20.439 -2.714 1.00 0.00 C ATOM 530 CD GLU A 37 -10.030 20.989 -4.113 1.00 0.00 C ATOM 531 OE1 GLU A 37 -9.743 22.185 -4.331 1.00 0.00 O ATOM 532 OE2 GLU A 37 -10.479 20.224 -4.991 1.00 0.00 O ATOM 0 H GLU A 37 -7.335 19.927 -2.026 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.905 22.402 -3.145 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.196 21.032 -0.756 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.918 22.321 -1.699 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.162 19.576 -2.761 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.781 20.086 -2.325 1.00 0.00 H new ATOM 539 N GLY A 38 -6.739 22.559 -0.088 1.00 0.00 N ATOM 540 CA GLY A 38 -6.226 23.477 0.911 1.00 0.00 C ATOM 541 C GLY A 38 -5.305 24.518 0.305 1.00 0.00 C ATOM 542 O GLY A 38 -5.421 25.707 0.599 1.00 0.00 O ATOM 0 H GLY A 38 -6.575 21.572 0.112 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.059 23.975 1.408 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.687 22.917 1.675 1.00 0.00 H new ATOM 546 N ALA A 39 -4.390 24.064 -0.547 1.00 0.00 N ATOM 547 CA ALA A 39 -3.449 24.955 -1.202 1.00 0.00 C ATOM 548 C ALA A 39 -4.157 25.878 -2.190 1.00 0.00 C ATOM 549 O ALA A 39 -3.612 26.906 -2.593 1.00 0.00 O ATOM 550 CB ALA A 39 -2.368 24.151 -1.910 1.00 0.00 C ATOM 0 H ALA A 39 -4.284 23.081 -0.798 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.984 25.577 -0.437 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.669 24.831 -2.397 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.833 23.541 -1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.827 23.505 -2.658 1.00 0.00 H new ATOM 556 N ALA A 40 -5.376 25.506 -2.578 1.00 0.00 N ATOM 557 CA ALA A 40 -6.159 26.297 -3.516 1.00 0.00 C ATOM 558 C ALA A 40 -6.280 27.743 -3.051 1.00 0.00 C ATOM 559 O ALA A 40 -6.472 28.653 -3.857 1.00 0.00 O ATOM 560 CB ALA A 40 -7.539 25.682 -3.700 1.00 0.00 C ATOM 0 H ALA A 40 -5.841 24.658 -2.254 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.640 26.295 -4.475 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.114 26.283 -4.404 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.437 24.668 -4.087 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.055 25.653 -2.741 1.00 0.00 H new ATOM 566 N ARG A 41 -6.161 27.947 -1.743 1.00 0.00 N ATOM 567 CA ARG A 41 -6.250 29.283 -1.166 1.00 0.00 C ATOM 568 C ARG A 41 -5.139 29.508 -0.144 1.00 0.00 C ATOM 569 O ARG A 41 -5.325 30.215 0.845 1.00 0.00 O ATOM 570 CB ARG A 41 -7.620 29.511 -0.513 1.00 0.00 C ATOM 571 CG ARG A 41 -7.966 28.517 0.587 1.00 0.00 C ATOM 572 CD ARG A 41 -8.458 27.192 0.022 1.00 0.00 C ATOM 573 NE ARG A 41 -8.882 26.271 1.075 1.00 0.00 N ATOM 574 CZ ARG A 41 -9.932 26.481 1.867 1.00 0.00 C ATOM 575 NH1 ARG A 41 -10.695 27.555 1.702 1.00 0.00 N ATOM 576 NH2 ARG A 41 -10.229 25.605 2.818 1.00 0.00 N ATOM 0 H ARG A 41 -6.003 27.204 -1.063 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.130 30.002 -1.976 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -7.648 30.518 -0.097 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.389 29.463 -1.284 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.087 28.343 1.208 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.733 28.943 1.233 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.291 27.374 -0.657 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.664 26.731 -0.565 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.342 25.417 1.211 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.479 28.226 0.965 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.498 27.709 2.312 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.654 24.772 2.942 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.033 25.764 3.425 1.00 0.00 H new ATOM 590 N GLN A 42 -3.984 28.902 -0.398 1.00 0.00 N ATOM 591 CA GLN A 42 -2.832 29.030 0.490 1.00 0.00 C ATOM 592 C GLN A 42 -1.533 28.807 -0.281 1.00 0.00 C ATOM 593 O GLN A 42 -1.543 28.251 -1.380 1.00 0.00 O ATOM 594 CB GLN A 42 -2.930 28.029 1.643 1.00 0.00 C ATOM 595 CG GLN A 42 -4.084 28.299 2.596 1.00 0.00 C ATOM 596 CD GLN A 42 -3.928 29.607 3.350 1.00 0.00 C ATOM 597 OE1 GLN A 42 -3.850 30.679 2.750 1.00 0.00 O ATOM 598 NE2 GLN A 42 -3.880 29.524 4.675 1.00 0.00 N ATOM 0 H GLN A 42 -3.820 28.314 -1.215 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.829 30.040 0.899 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.038 27.025 1.232 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.996 28.044 2.205 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.017 28.318 2.033 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.159 27.479 3.311 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.948 28.615 5.132 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.775 30.370 5.235 1.00 0.00 H new ATOM 607 N PRO A 43 -0.392 29.233 0.288 1.00 0.00 N ATOM 608 CA PRO A 43 0.916 29.069 -0.354 1.00 0.00 C ATOM 609 C PRO A 43 1.211 27.611 -0.673 1.00 0.00 C ATOM 610 O PRO A 43 0.877 26.719 0.103 1.00 0.00 O ATOM 611 CB PRO A 43 1.903 29.600 0.692 1.00 0.00 C ATOM 612 CG PRO A 43 1.092 30.495 1.564 1.00 0.00 C ATOM 613 CD PRO A 43 -0.285 29.899 1.596 1.00 0.00 C ATOM 0 HA PRO A 43 0.973 29.593 -1.308 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.347 28.786 1.265 1.00 0.00 H new ATOM 0 HB3 PRO A 43 2.723 30.143 0.222 1.00 0.00 H new ATOM 0 HG2 PRO A 43 1.516 30.553 2.566 1.00 0.00 H new ATOM 0 HG3 PRO A 43 1.069 31.510 1.168 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -0.399 29.193 2.418 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.052 30.663 1.723 1.00 0.00 H new ATOM 621 N ASP A 44 1.837 27.371 -1.820 1.00 0.00 N ATOM 622 CA ASP A 44 2.170 26.013 -2.233 1.00 0.00 C ATOM 623 C ASP A 44 3.564 25.622 -1.751 1.00 0.00 C ATOM 624 O ASP A 44 4.311 24.951 -2.462 1.00 0.00 O ATOM 625 CB ASP A 44 2.089 25.887 -3.756 1.00 0.00 C ATOM 626 CG ASP A 44 0.703 26.194 -4.289 1.00 0.00 C ATOM 627 OD1 ASP A 44 -0.252 25.493 -3.896 1.00 0.00 O ATOM 628 OD2 ASP A 44 0.574 27.137 -5.097 1.00 0.00 O ATOM 0 H ASP A 44 2.123 28.096 -2.478 1.00 0.00 H new ATOM 0 HA ASP A 44 1.447 25.335 -1.780 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.809 26.566 -4.213 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.373 24.876 -4.050 1.00 0.00 H new ATOM 633 N LEU A 45 3.909 26.046 -0.538 1.00 0.00 N ATOM 634 CA LEU A 45 5.215 25.739 0.032 1.00 0.00 C ATOM 635 C LEU A 45 5.070 24.954 1.327 1.00 0.00 C ATOM 636 O LEU A 45 5.719 23.925 1.519 1.00 0.00 O ATOM 637 CB LEU A 45 6.005 27.028 0.274 1.00 0.00 C ATOM 638 CG LEU A 45 7.462 26.841 0.712 1.00 0.00 C ATOM 639 CD1 LEU A 45 7.539 26.229 2.103 1.00 0.00 C ATOM 640 CD2 LEU A 45 8.210 25.978 -0.292 1.00 0.00 C ATOM 0 H LEU A 45 3.304 26.601 0.066 1.00 0.00 H new ATOM 0 HA LEU A 45 5.762 25.121 -0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.993 27.617 -0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.488 27.612 1.035 1.00 0.00 H new ATOM 0 HG LEU A 45 7.934 27.823 0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.584 26.107 2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.041 26.885 2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.048 25.256 2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.243 25.854 0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.732 25.001 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.192 26.459 -1.270 1.00 0.00 H new ATOM 652 N ILE A 46 4.225 25.450 2.212 1.00 0.00 N ATOM 653 CA ILE A 46 3.997 24.803 3.494 1.00 0.00 C ATOM 654 C ILE A 46 3.086 23.583 3.357 1.00 0.00 C ATOM 655 O ILE A 46 3.464 22.481 3.753 1.00 0.00 O ATOM 656 CB ILE A 46 3.386 25.796 4.494 1.00 0.00 C ATOM 657 CG1 ILE A 46 4.362 26.942 4.766 1.00 0.00 C ATOM 658 CG2 ILE A 46 3.001 25.099 5.793 1.00 0.00 C ATOM 659 CD1 ILE A 46 3.829 27.973 5.738 1.00 0.00 C ATOM 0 H ILE A 46 3.683 26.302 2.067 1.00 0.00 H new ATOM 0 HA ILE A 46 4.964 24.464 3.864 1.00 0.00 H new ATOM 0 HB ILE A 46 2.478 26.207 4.054 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.292 26.531 5.159 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.604 27.434 3.824 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.571 25.826 6.482 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.268 24.319 5.584 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.888 24.653 6.243 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.574 28.755 5.883 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.915 28.412 5.338 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.614 27.495 6.694 1.00 0.00 H new ATOM 671 N PRO A 47 1.871 23.750 2.797 1.00 0.00 N ATOM 672 CA PRO A 47 0.942 22.633 2.629 1.00 0.00 C ATOM 673 C PRO A 47 1.473 21.616 1.631 1.00 0.00 C ATOM 674 O PRO A 47 1.355 20.408 1.836 1.00 0.00 O ATOM 675 CB PRO A 47 -0.334 23.293 2.106 1.00 0.00 C ATOM 676 CG PRO A 47 0.130 24.553 1.469 1.00 0.00 C ATOM 677 CD PRO A 47 1.310 25.012 2.280 1.00 0.00 C ATOM 0 HA PRO A 47 0.785 22.081 3.556 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -0.847 22.652 1.389 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -1.037 23.493 2.915 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.412 24.385 0.430 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.660 25.304 1.468 1.00 0.00 H new ATOM 0 HD2 PRO A 47 2.032 25.554 1.670 1.00 0.00 H new ATOM 0 HD3 PRO A 47 1.009 25.680 3.087 1.00 0.00 H new ATOM 685 N LEU A 48 2.078 22.115 0.557 1.00 0.00 N ATOM 686 CA LEU A 48 2.651 21.248 -0.462 1.00 0.00 C ATOM 687 C LEU A 48 3.676 20.314 0.170 1.00 0.00 C ATOM 688 O LEU A 48 3.890 19.196 -0.298 1.00 0.00 O ATOM 689 CB LEU A 48 3.308 22.080 -1.565 1.00 0.00 C ATOM 690 CG LEU A 48 3.944 21.269 -2.696 1.00 0.00 C ATOM 691 CD1 LEU A 48 2.900 20.406 -3.385 1.00 0.00 C ATOM 692 CD2 LEU A 48 4.622 22.193 -3.697 1.00 0.00 C ATOM 0 H LEU A 48 2.183 23.113 0.372 1.00 0.00 H new ATOM 0 HA LEU A 48 1.852 20.654 -0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.558 22.745 -1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.075 22.711 -1.115 1.00 0.00 H new ATOM 0 HG LEU A 48 4.701 20.613 -2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.370 19.836 -4.187 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.460 19.719 -2.661 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.119 21.042 -3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.069 21.600 -4.495 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.884 22.874 -4.121 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.399 22.768 -3.193 1.00 0.00 H new ATOM 704 N LEU A 49 4.297 20.786 1.249 1.00 0.00 N ATOM 705 CA LEU A 49 5.291 20.005 1.969 1.00 0.00 C ATOM 706 C LEU A 49 4.662 18.732 2.513 1.00 0.00 C ATOM 707 O LEU A 49 5.136 17.626 2.256 1.00 0.00 O ATOM 708 CB LEU A 49 5.874 20.836 3.116 1.00 0.00 C ATOM 709 CG LEU A 49 7.399 20.897 3.167 1.00 0.00 C ATOM 710 CD1 LEU A 49 7.861 21.658 4.400 1.00 0.00 C ATOM 711 CD2 LEU A 49 7.993 19.496 3.147 1.00 0.00 C ATOM 0 H LEU A 49 4.125 21.711 1.643 1.00 0.00 H new ATOM 0 HA LEU A 49 6.094 19.734 1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.488 21.853 3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.511 20.428 4.059 1.00 0.00 H new ATOM 0 HG LEU A 49 7.751 21.429 2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.950 21.691 4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.467 22.674 4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.497 21.155 5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.080 19.561 3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.634 18.936 4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.691 18.986 2.232 1.00 0.00 H new ATOM 723 N ARG A 50 3.578 18.890 3.253 1.00 0.00 N ATOM 724 CA ARG A 50 2.884 17.742 3.797 1.00 0.00 C ATOM 725 C ARG A 50 2.156 17.020 2.676 1.00 0.00 C ATOM 726 O ARG A 50 2.082 15.793 2.655 1.00 0.00 O ATOM 727 CB ARG A 50 1.889 18.160 4.873 1.00 0.00 C ATOM 728 CG ARG A 50 1.159 16.983 5.490 1.00 0.00 C ATOM 729 CD ARG A 50 -0.187 17.395 6.046 1.00 0.00 C ATOM 730 NE ARG A 50 -0.066 18.422 7.078 1.00 0.00 N ATOM 731 CZ ARG A 50 -1.103 18.952 7.722 1.00 0.00 C ATOM 732 NH1 ARG A 50 -2.339 18.554 7.446 1.00 0.00 N ATOM 733 NH2 ARG A 50 -0.905 19.883 8.645 1.00 0.00 N ATOM 0 H ARG A 50 3.165 19.793 3.488 1.00 0.00 H new ATOM 0 HA ARG A 50 3.617 17.077 4.255 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.416 18.705 5.656 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.161 18.847 4.441 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.021 16.205 4.739 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.767 16.553 6.286 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.814 17.768 5.236 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.689 16.522 6.462 1.00 0.00 H new ATOM 0 HE ARG A 50 0.868 18.752 7.319 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.498 17.838 6.737 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.130 18.964 7.943 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.042 20.193 8.862 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.700 20.289 9.138 1.00 0.00 H new ATOM 747 N THR A 51 1.627 17.799 1.733 1.00 0.00 N ATOM 748 CA THR A 51 0.915 17.241 0.591 1.00 0.00 C ATOM 749 C THR A 51 1.734 16.118 -0.029 1.00 0.00 C ATOM 750 O THR A 51 1.210 15.052 -0.353 1.00 0.00 O ATOM 751 CB THR A 51 0.647 18.328 -0.450 1.00 0.00 C ATOM 752 OG1 THR A 51 -0.161 19.357 0.094 1.00 0.00 O ATOM 753 CG2 THR A 51 -0.043 17.813 -1.696 1.00 0.00 C ATOM 0 H THR A 51 1.680 18.818 1.740 1.00 0.00 H new ATOM 0 HA THR A 51 -0.040 16.842 0.932 1.00 0.00 H new ATOM 0 HB THR A 51 1.631 18.704 -0.730 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.168 19.595 0.986 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.202 18.637 -2.391 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.580 17.054 -2.170 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.004 17.376 -1.425 1.00 0.00 H new ATOM 761 N GLN A 52 3.036 16.354 -0.153 1.00 0.00 N ATOM 762 CA GLN A 52 3.925 15.339 -0.700 1.00 0.00 C ATOM 763 C GLN A 52 4.138 14.264 0.342 1.00 0.00 C ATOM 764 O GLN A 52 4.070 13.071 0.050 1.00 0.00 O ATOM 765 CB GLN A 52 5.264 15.936 -1.136 1.00 0.00 C ATOM 766 CG GLN A 52 5.975 16.738 -0.063 1.00 0.00 C ATOM 767 CD GLN A 52 7.360 17.179 -0.495 1.00 0.00 C ATOM 768 OE1 GLN A 52 7.561 18.488 -0.598 1.00 0.00 O flip ATOM 769 NE2 GLN A 52 8.239 16.352 -0.740 1.00 0.00 N flip ATOM 0 H GLN A 52 3.493 17.226 0.114 1.00 0.00 H new ATOM 0 HA GLN A 52 3.463 14.910 -1.589 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.919 15.128 -1.461 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.097 16.578 -2.001 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.378 17.615 0.187 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.054 16.138 0.843 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.042 15.356 -0.648 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.164 16.664 -1.035 1.00 0.00 H new ATOM 778 N PHE A 53 4.366 14.707 1.571 1.00 0.00 N ATOM 779 CA PHE A 53 4.556 13.796 2.697 1.00 0.00 C ATOM 780 C PHE A 53 3.493 12.700 2.662 1.00 0.00 C ATOM 781 O PHE A 53 3.753 11.553 3.018 1.00 0.00 O ATOM 782 CB PHE A 53 4.475 14.572 4.019 1.00 0.00 C ATOM 783 CG PHE A 53 4.754 13.744 5.247 1.00 0.00 C ATOM 784 CD1 PHE A 53 5.283 12.464 5.146 1.00 0.00 C ATOM 785 CD2 PHE A 53 4.492 14.255 6.509 1.00 0.00 C ATOM 786 CE1 PHE A 53 5.541 11.714 6.277 1.00 0.00 C ATOM 787 CE2 PHE A 53 4.749 13.508 7.643 1.00 0.00 C ATOM 788 CZ PHE A 53 5.273 12.237 7.527 1.00 0.00 C ATOM 0 H PHE A 53 4.424 15.695 1.816 1.00 0.00 H new ATOM 0 HA PHE A 53 5.541 13.335 2.621 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.185 15.399 3.985 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.481 15.009 4.109 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.495 12.050 4.171 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.082 15.249 6.607 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.952 10.720 6.184 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.540 13.919 8.620 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.473 11.652 8.412 1.00 0.00 H new ATOM 798 N PHE A 54 2.301 13.063 2.196 1.00 0.00 N ATOM 799 CA PHE A 54 1.203 12.114 2.079 1.00 0.00 C ATOM 800 C PHE A 54 1.354 11.291 0.805 1.00 0.00 C ATOM 801 O PHE A 54 1.257 10.063 0.837 1.00 0.00 O ATOM 802 CB PHE A 54 -0.141 12.843 2.096 1.00 0.00 C ATOM 803 CG PHE A 54 -0.588 13.233 3.477 1.00 0.00 C ATOM 804 CD1 PHE A 54 0.276 13.885 4.342 1.00 0.00 C ATOM 805 CD2 PHE A 54 -1.872 12.946 3.910 1.00 0.00 C ATOM 806 CE1 PHE A 54 -0.133 14.240 5.614 1.00 0.00 C ATOM 807 CE2 PHE A 54 -2.286 13.301 5.180 1.00 0.00 C ATOM 808 CZ PHE A 54 -1.415 13.949 6.033 1.00 0.00 C ATOM 0 H PHE A 54 2.073 14.010 1.893 1.00 0.00 H new ATOM 0 HA PHE A 54 1.233 11.438 2.934 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.069 13.738 1.479 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.899 12.204 1.643 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.280 14.118 4.019 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.558 12.439 3.247 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.551 14.745 6.280 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.290 13.072 5.505 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.736 14.227 7.026 1.00 0.00 H new ATOM 818 N ILE A 55 1.614 11.968 -0.315 1.00 0.00 N ATOM 819 CA ILE A 55 1.802 11.278 -1.587 1.00 0.00 C ATOM 820 C ILE A 55 2.810 10.142 -1.426 1.00 0.00 C ATOM 821 O ILE A 55 2.654 9.068 -2.008 1.00 0.00 O ATOM 822 CB ILE A 55 2.285 12.245 -2.690 1.00 0.00 C ATOM 823 CG1 ILE A 55 1.223 13.309 -2.971 1.00 0.00 C ATOM 824 CG2 ILE A 55 2.619 11.483 -3.962 1.00 0.00 C ATOM 825 CD1 ILE A 55 -0.069 12.742 -3.519 1.00 0.00 C ATOM 0 H ILE A 55 1.698 12.983 -0.365 1.00 0.00 H new ATOM 0 HA ILE A 55 0.836 10.872 -1.888 1.00 0.00 H new ATOM 0 HB ILE A 55 3.190 12.741 -2.338 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.011 13.851 -2.050 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.624 14.032 -3.681 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.957 12.182 -4.727 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.409 10.760 -3.756 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.731 10.959 -4.316 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.776 13.552 -3.695 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.130 12.224 -4.457 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.492 12.041 -2.800 1.00 0.00 H new ATOM 837 N VAL A 56 3.834 10.385 -0.615 1.00 0.00 N ATOM 838 CA VAL A 56 4.859 9.383 -0.357 1.00 0.00 C ATOM 839 C VAL A 56 4.417 8.459 0.764 1.00 0.00 C ATOM 840 O VAL A 56 4.576 7.242 0.674 1.00 0.00 O ATOM 841 CB VAL A 56 6.209 10.028 0.010 1.00 0.00 C ATOM 842 CG1 VAL A 56 7.276 8.963 0.215 1.00 0.00 C ATOM 843 CG2 VAL A 56 6.634 11.021 -1.061 1.00 0.00 C ATOM 0 H VAL A 56 3.975 11.268 -0.125 1.00 0.00 H new ATOM 0 HA VAL A 56 4.995 8.811 -1.275 1.00 0.00 H new ATOM 0 HB VAL A 56 6.088 10.569 0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.221 9.440 0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.974 8.296 1.022 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.398 8.389 -0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.590 11.467 -0.785 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.736 10.505 -2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.881 11.804 -1.151 1.00 0.00 H new ATOM 853 N MET A 57 3.839 9.041 1.816 1.00 0.00 N ATOM 854 CA MET A 57 3.351 8.255 2.946 1.00 0.00 C ATOM 855 C MET A 57 2.549 7.055 2.448 1.00 0.00 C ATOM 856 O MET A 57 2.507 6.009 3.094 1.00 0.00 O ATOM 857 CB MET A 57 2.484 9.119 3.866 1.00 0.00 C ATOM 858 CG MET A 57 1.863 8.350 5.021 1.00 0.00 C ATOM 859 SD MET A 57 0.877 9.402 6.106 1.00 0.00 S ATOM 860 CE MET A 57 0.310 8.207 7.314 1.00 0.00 C ATOM 0 H MET A 57 3.699 10.047 1.908 1.00 0.00 H new ATOM 0 HA MET A 57 4.210 7.896 3.512 1.00 0.00 H new ATOM 0 HB2 MET A 57 3.092 9.930 4.267 1.00 0.00 H new ATOM 0 HB3 MET A 57 1.689 9.577 3.277 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.234 7.552 4.625 1.00 0.00 H new ATOM 0 HG3 MET A 57 2.653 7.874 5.602 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.314 8.707 8.055 1.00 0.00 H new ATOM 0 HE2 MET A 57 -0.270 7.432 6.814 1.00 0.00 H new ATOM 0 HE3 MET A 57 1.169 7.755 7.809 1.00 0.00 H new ATOM 870 N GLY A 58 1.917 7.219 1.287 1.00 0.00 N ATOM 871 CA GLY A 58 1.130 6.146 0.713 1.00 0.00 C ATOM 872 C GLY A 58 1.865 5.412 -0.391 1.00 0.00 C ATOM 873 O GLY A 58 1.821 4.184 -0.465 1.00 0.00 O ATOM 0 H GLY A 58 1.938 8.077 0.736 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.859 5.439 1.497 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.200 6.554 0.317 1.00 0.00 H new ATOM 877 N LEU A 59 2.545 6.163 -1.253 1.00 0.00 N ATOM 878 CA LEU A 59 3.295 5.572 -2.357 1.00 0.00 C ATOM 879 C LEU A 59 4.311 4.557 -1.838 1.00 0.00 C ATOM 880 O LEU A 59 4.725 3.651 -2.561 1.00 0.00 O ATOM 881 CB LEU A 59 3.995 6.675 -3.160 1.00 0.00 C ATOM 882 CG LEU A 59 4.743 6.216 -4.417 1.00 0.00 C ATOM 883 CD1 LEU A 59 6.021 5.473 -4.054 1.00 0.00 C ATOM 884 CD2 LEU A 59 3.843 5.341 -5.279 1.00 0.00 C ATOM 0 H LEU A 59 2.592 7.181 -1.208 1.00 0.00 H new ATOM 0 HA LEU A 59 2.600 5.047 -3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.249 7.413 -3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.703 7.182 -2.504 1.00 0.00 H new ATOM 0 HG LEU A 59 5.021 7.102 -4.988 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.531 5.159 -4.965 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.674 6.131 -3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.774 4.596 -3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.388 5.023 -6.168 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.534 4.464 -4.710 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.962 5.909 -5.578 1.00 0.00 H new ATOM 896 N VAL A 60 4.708 4.715 -0.578 1.00 0.00 N ATOM 897 CA VAL A 60 5.675 3.818 0.041 1.00 0.00 C ATOM 898 C VAL A 60 4.977 2.690 0.788 1.00 0.00 C ATOM 899 O VAL A 60 5.435 1.554 0.782 1.00 0.00 O ATOM 900 CB VAL A 60 6.584 4.577 1.025 1.00 0.00 C ATOM 901 CG1 VAL A 60 5.788 5.097 2.214 1.00 0.00 C ATOM 902 CG2 VAL A 60 7.734 3.694 1.485 1.00 0.00 C ATOM 0 H VAL A 60 4.373 5.459 0.034 1.00 0.00 H new ATOM 0 HA VAL A 60 6.281 3.399 -0.762 1.00 0.00 H new ATOM 0 HB VAL A 60 7.004 5.437 0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.454 5.629 2.893 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.011 5.775 1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.328 4.259 2.739 1.00 0.00 H new ATOM 0 HG21 VAL A 60 8.364 4.250 2.180 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.337 2.810 1.983 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.326 3.389 0.622 1.00 0.00 H new ATOM 912 N ASP A 61 3.871 3.028 1.436 1.00 0.00 N ATOM 913 CA ASP A 61 3.084 2.066 2.213 1.00 0.00 C ATOM 914 C ASP A 61 2.928 0.726 1.493 1.00 0.00 C ATOM 915 O ASP A 61 2.740 -0.309 2.131 1.00 0.00 O ATOM 916 CB ASP A 61 1.707 2.646 2.507 1.00 0.00 C ATOM 917 CG ASP A 61 0.876 1.749 3.405 1.00 0.00 C ATOM 918 OD1 ASP A 61 1.314 1.479 4.543 1.00 0.00 O ATOM 919 OD2 ASP A 61 -0.212 1.318 2.970 1.00 0.00 O ATOM 0 H ASP A 61 3.490 3.974 1.441 1.00 0.00 H new ATOM 0 HA ASP A 61 3.624 1.881 3.142 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.821 3.622 2.979 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.176 2.806 1.568 1.00 0.00 H new ATOM 924 N ALA A 62 2.998 0.756 0.167 1.00 0.00 N ATOM 925 CA ALA A 62 2.863 -0.459 -0.641 1.00 0.00 C ATOM 926 C ALA A 62 4.146 -1.276 -0.617 1.00 0.00 C ATOM 927 O ALA A 62 4.122 -2.479 -0.385 1.00 0.00 O ATOM 928 CB ALA A 62 2.515 -0.096 -2.076 1.00 0.00 C ATOM 0 H ALA A 62 3.147 1.607 -0.375 1.00 0.00 H new ATOM 0 HA ALA A 62 2.061 -1.061 -0.214 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.417 -1.006 -2.668 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.573 0.452 -2.094 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.305 0.526 -2.496 1.00 0.00 H new ATOM 934 N ILE A 63 5.264 -0.599 -0.853 1.00 0.00 N ATOM 935 CA ILE A 63 6.590 -1.219 -0.865 1.00 0.00 C ATOM 936 C ILE A 63 6.757 -2.364 0.138 1.00 0.00 C ATOM 937 O ILE A 63 7.395 -3.375 -0.172 1.00 0.00 O ATOM 938 CB ILE A 63 7.678 -0.158 -0.594 1.00 0.00 C ATOM 939 CG1 ILE A 63 8.060 0.531 -1.897 1.00 0.00 C ATOM 940 CG2 ILE A 63 8.912 -0.773 0.059 1.00 0.00 C ATOM 941 CD1 ILE A 63 8.649 -0.431 -2.902 1.00 0.00 C ATOM 0 H ILE A 63 5.279 0.403 -1.043 1.00 0.00 H new ATOM 0 HA ILE A 63 6.699 -1.650 -1.860 1.00 0.00 H new ATOM 0 HB ILE A 63 7.269 0.576 0.100 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.178 1.007 -2.326 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.780 1.323 -1.690 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.656 0.004 0.235 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.632 -1.229 1.009 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.331 -1.534 -0.599 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.905 0.108 -3.814 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.547 -0.888 -2.486 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.920 -1.208 -3.132 1.00 0.00 H new ATOM 953 N PRO A 64 6.211 -2.237 1.351 1.00 0.00 N ATOM 954 CA PRO A 64 6.344 -3.263 2.367 1.00 0.00 C ATOM 955 C PRO A 64 5.301 -4.351 2.193 1.00 0.00 C ATOM 956 O PRO A 64 5.628 -5.513 1.965 1.00 0.00 O ATOM 957 CB PRO A 64 6.133 -2.487 3.685 1.00 0.00 C ATOM 958 CG PRO A 64 5.886 -1.059 3.281 1.00 0.00 C ATOM 959 CD PRO A 64 5.426 -1.118 1.856 1.00 0.00 C ATOM 0 HA PRO A 64 7.303 -3.779 2.327 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.288 -2.888 4.244 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.008 -2.566 4.330 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.132 -0.596 3.918 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.793 -0.462 3.376 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.354 -1.299 1.777 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.634 -0.193 1.318 1.00 0.00 H new ATOM 967 N MET A 65 4.043 -3.954 2.273 1.00 0.00 N ATOM 968 CA MET A 65 2.939 -4.874 2.098 1.00 0.00 C ATOM 969 C MET A 65 2.997 -5.531 0.722 1.00 0.00 C ATOM 970 O MET A 65 2.449 -6.616 0.521 1.00 0.00 O ATOM 971 CB MET A 65 1.627 -4.119 2.280 1.00 0.00 C ATOM 972 CG MET A 65 1.113 -4.144 3.712 1.00 0.00 C ATOM 973 SD MET A 65 0.749 -5.813 4.288 1.00 0.00 S ATOM 974 CE MET A 65 0.189 -5.481 5.956 1.00 0.00 C ATOM 0 H MET A 65 3.762 -2.991 2.460 1.00 0.00 H new ATOM 0 HA MET A 65 3.007 -5.665 2.845 1.00 0.00 H new ATOM 0 HB2 MET A 65 1.765 -3.084 1.969 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.873 -4.551 1.623 1.00 0.00 H new ATOM 0 HG2 MET A 65 1.856 -3.691 4.369 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.212 -3.535 3.781 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.074 -6.419 6.445 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.985 -4.991 6.516 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.685 -4.831 5.924 1.00 0.00 H new ATOM 984 N ILE A 66 3.672 -4.874 -0.219 1.00 0.00 N ATOM 985 CA ILE A 66 3.806 -5.404 -1.568 1.00 0.00 C ATOM 986 C ILE A 66 4.947 -6.404 -1.625 1.00 0.00 C ATOM 987 O ILE A 66 4.779 -7.508 -2.133 1.00 0.00 O ATOM 988 CB ILE A 66 4.023 -4.280 -2.613 1.00 0.00 C ATOM 989 CG1 ILE A 66 3.853 -4.811 -4.036 1.00 0.00 C ATOM 990 CG2 ILE A 66 5.395 -3.649 -2.458 1.00 0.00 C ATOM 991 CD1 ILE A 66 2.452 -5.286 -4.344 1.00 0.00 C ATOM 0 H ILE A 66 4.132 -3.976 -0.070 1.00 0.00 H new ATOM 0 HA ILE A 66 2.872 -5.907 -1.819 1.00 0.00 H new ATOM 0 HB ILE A 66 3.265 -3.517 -2.433 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.124 -4.026 -4.742 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.549 -5.635 -4.192 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.521 -2.864 -3.203 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.488 -3.220 -1.460 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.163 -4.409 -2.599 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.408 -5.648 -5.371 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.183 -6.093 -3.663 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.752 -4.459 -4.221 1.00 0.00 H new ATOM 1003 N ALA A 67 6.101 -6.037 -1.070 1.00 0.00 N ATOM 1004 CA ALA A 67 7.230 -6.955 -1.042 1.00 0.00 C ATOM 1005 C ALA A 67 6.845 -8.191 -0.238 1.00 0.00 C ATOM 1006 O ALA A 67 7.286 -9.305 -0.526 1.00 0.00 O ATOM 1007 CB ALA A 67 8.457 -6.281 -0.446 1.00 0.00 C ATOM 0 H ALA A 67 6.274 -5.127 -0.642 1.00 0.00 H new ATOM 0 HA ALA A 67 7.481 -7.252 -2.060 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.289 -6.985 -0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.724 -5.413 -1.049 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.238 -5.962 0.573 1.00 0.00 H new ATOM 1013 N VAL A 68 5.992 -7.979 0.765 1.00 0.00 N ATOM 1014 CA VAL A 68 5.514 -9.062 1.608 1.00 0.00 C ATOM 1015 C VAL A 68 4.539 -9.943 0.838 1.00 0.00 C ATOM 1016 O VAL A 68 4.635 -11.169 0.888 1.00 0.00 O ATOM 1017 CB VAL A 68 4.831 -8.533 2.884 1.00 0.00 C ATOM 1018 CG1 VAL A 68 4.351 -9.684 3.758 1.00 0.00 C ATOM 1019 CG2 VAL A 68 5.777 -7.630 3.660 1.00 0.00 C ATOM 0 H VAL A 68 5.620 -7.061 1.010 1.00 0.00 H new ATOM 0 HA VAL A 68 6.383 -9.649 1.905 1.00 0.00 H new ATOM 0 HB VAL A 68 3.961 -7.947 2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.872 -9.286 4.653 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.635 -10.289 3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.202 -10.302 4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.278 -7.266 4.558 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.667 -8.192 3.943 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.065 -6.784 3.037 1.00 0.00 H new ATOM 1029 N GLY A 69 3.612 -9.322 0.103 1.00 0.00 N ATOM 1030 CA GLY A 69 2.676 -10.107 -0.676 1.00 0.00 C ATOM 1031 C GLY A 69 3.402 -10.870 -1.755 1.00 0.00 C ATOM 1032 O GLY A 69 3.074 -12.016 -2.063 1.00 0.00 O ATOM 0 H GLY A 69 3.497 -8.311 0.037 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.144 -10.801 -0.026 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.928 -9.453 -1.124 1.00 0.00 H new ATOM 1036 N LEU A 70 4.416 -10.223 -2.305 1.00 0.00 N ATOM 1037 CA LEU A 70 5.247 -10.806 -3.334 1.00 0.00 C ATOM 1038 C LEU A 70 6.030 -11.975 -2.762 1.00 0.00 C ATOM 1039 O LEU A 70 6.283 -12.964 -3.442 1.00 0.00 O ATOM 1040 CB LEU A 70 6.204 -9.745 -3.874 1.00 0.00 C ATOM 1041 CG LEU A 70 6.301 -9.704 -5.387 1.00 0.00 C ATOM 1042 CD1 LEU A 70 7.230 -8.588 -5.840 1.00 0.00 C ATOM 1043 CD2 LEU A 70 6.761 -11.046 -5.933 1.00 0.00 C ATOM 0 H LEU A 70 4.684 -9.274 -2.046 1.00 0.00 H new ATOM 0 HA LEU A 70 4.619 -11.169 -4.148 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.883 -8.767 -3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.197 -9.925 -3.463 1.00 0.00 H new ATOM 0 HG LEU A 70 5.308 -9.498 -5.785 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.284 -8.579 -6.929 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.847 -7.630 -5.487 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.226 -8.754 -5.429 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.824 -10.994 -7.020 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.742 -11.288 -5.524 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.048 -11.819 -5.647 1.00 0.00 H new ATOM 1055 N GLY A 71 6.398 -11.847 -1.494 1.00 0.00 N ATOM 1056 CA GLY A 71 7.139 -12.896 -0.822 1.00 0.00 C ATOM 1057 C GLY A 71 6.301 -14.140 -0.646 1.00 0.00 C ATOM 1058 O GLY A 71 6.632 -15.199 -1.174 1.00 0.00 O ATOM 0 H GLY A 71 6.195 -11.031 -0.917 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.033 -13.137 -1.397 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.473 -12.540 0.153 1.00 0.00 H new ATOM 1062 N LEU A 72 5.194 -14.003 0.079 1.00 0.00 N ATOM 1063 CA LEU A 72 4.282 -15.121 0.303 1.00 0.00 C ATOM 1064 C LEU A 72 3.889 -15.744 -1.031 1.00 0.00 C ATOM 1065 O LEU A 72 3.755 -16.968 -1.162 1.00 0.00 O ATOM 1066 CB LEU A 72 3.035 -14.638 1.053 1.00 0.00 C ATOM 1067 CG LEU A 72 3.286 -14.157 2.484 1.00 0.00 C ATOM 1068 CD1 LEU A 72 1.985 -13.705 3.130 1.00 0.00 C ATOM 1069 CD2 LEU A 72 3.940 -15.256 3.307 1.00 0.00 C ATOM 0 H LEU A 72 4.907 -13.130 0.521 1.00 0.00 H new ATOM 0 HA LEU A 72 4.784 -15.876 0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.581 -13.825 0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.309 -15.451 1.081 1.00 0.00 H new ATOM 0 HG LEU A 72 3.965 -13.305 2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.182 -13.366 4.147 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.557 -12.886 2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.282 -14.538 3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.112 -14.897 4.322 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.286 -16.127 3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.892 -15.532 2.854 1.00 0.00 H new ATOM 1081 N TYR A 73 3.732 -14.887 -2.029 1.00 0.00 N ATOM 1082 CA TYR A 73 3.378 -15.330 -3.368 1.00 0.00 C ATOM 1083 C TYR A 73 4.525 -16.157 -3.947 1.00 0.00 C ATOM 1084 O TYR A 73 4.314 -17.235 -4.511 1.00 0.00 O ATOM 1085 CB TYR A 73 3.076 -14.110 -4.236 1.00 0.00 C ATOM 1086 CG TYR A 73 2.421 -14.432 -5.555 1.00 0.00 C ATOM 1087 CD1 TYR A 73 3.152 -14.980 -6.602 1.00 0.00 C ATOM 1088 CD2 TYR A 73 1.068 -14.181 -5.755 1.00 0.00 C ATOM 1089 CE1 TYR A 73 2.556 -15.265 -7.814 1.00 0.00 C ATOM 1090 CE2 TYR A 73 0.465 -14.466 -6.964 1.00 0.00 C ATOM 1091 CZ TYR A 73 1.213 -15.006 -7.991 1.00 0.00 C ATOM 1092 OH TYR A 73 0.616 -15.287 -9.199 1.00 0.00 O ATOM 0 H TYR A 73 3.845 -13.878 -1.935 1.00 0.00 H new ATOM 0 HA TYR A 73 2.488 -15.958 -3.339 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.429 -13.433 -3.678 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.007 -13.576 -4.427 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.203 -15.186 -6.465 1.00 0.00 H new ATOM 0 HD2 TYR A 73 0.481 -13.757 -4.954 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.138 -15.688 -8.619 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -0.587 -14.267 -7.106 1.00 0.00 H new ATOM 0 HH TYR A 73 0.238 -16.191 -9.175 1.00 0.00 H new ATOM 1102 N VAL A 74 5.748 -15.660 -3.766 1.00 0.00 N ATOM 1103 CA VAL A 74 6.930 -16.370 -4.234 1.00 0.00 C ATOM 1104 C VAL A 74 7.043 -17.706 -3.511 1.00 0.00 C ATOM 1105 O VAL A 74 7.528 -18.688 -4.074 1.00 0.00 O ATOM 1106 CB VAL A 74 8.221 -15.554 -4.016 1.00 0.00 C ATOM 1107 CG1 VAL A 74 9.448 -16.367 -4.409 1.00 0.00 C ATOM 1108 CG2 VAL A 74 8.170 -14.252 -4.803 1.00 0.00 C ATOM 0 H VAL A 74 5.942 -14.773 -3.301 1.00 0.00 H new ATOM 0 HA VAL A 74 6.816 -16.530 -5.306 1.00 0.00 H new ATOM 0 HB VAL A 74 8.296 -15.314 -2.955 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.346 -15.771 -4.247 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.496 -17.270 -3.800 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.380 -16.642 -5.462 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.089 -13.690 -4.637 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.067 -14.473 -5.865 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.317 -13.659 -4.471 1.00 0.00 H new ATOM 1118 N MET A 75 6.563 -17.745 -2.266 1.00 0.00 N ATOM 1119 CA MET A 75 6.588 -18.975 -1.490 1.00 0.00 C ATOM 1120 C MET A 75 5.767 -20.018 -2.218 1.00 0.00 C ATOM 1121 O MET A 75 6.228 -21.132 -2.458 1.00 0.00 O ATOM 1122 CB MET A 75 6.042 -18.755 -0.078 1.00 0.00 C ATOM 1123 CG MET A 75 6.864 -17.782 0.751 1.00 0.00 C ATOM 1124 SD MET A 75 8.570 -18.324 0.967 1.00 0.00 S ATOM 1125 CE MET A 75 9.226 -16.985 1.960 1.00 0.00 C ATOM 0 H MET A 75 6.157 -16.944 -1.782 1.00 0.00 H new ATOM 0 HA MET A 75 7.619 -19.313 -1.387 1.00 0.00 H new ATOM 0 HB2 MET A 75 5.019 -18.385 -0.147 1.00 0.00 H new ATOM 0 HB3 MET A 75 6.000 -19.714 0.439 1.00 0.00 H new ATOM 0 HG2 MET A 75 6.856 -16.804 0.270 1.00 0.00 H new ATOM 0 HG3 MET A 75 6.399 -17.661 1.729 1.00 0.00 H new ATOM 0 HE1 MET A 75 10.277 -17.175 2.178 1.00 0.00 H new ATOM 0 HE2 MET A 75 9.132 -16.047 1.413 1.00 0.00 H new ATOM 0 HE3 MET A 75 8.668 -16.918 2.894 1.00 0.00 H new ATOM 1135 N PHE A 76 4.560 -19.630 -2.617 1.00 0.00 N ATOM 1136 CA PHE A 76 3.704 -20.529 -3.374 1.00 0.00 C ATOM 1137 C PHE A 76 4.419 -20.944 -4.658 1.00 0.00 C ATOM 1138 O PHE A 76 4.245 -22.058 -5.150 1.00 0.00 O ATOM 1139 CB PHE A 76 2.365 -19.858 -3.711 1.00 0.00 C ATOM 1140 CG PHE A 76 1.643 -20.514 -4.859 1.00 0.00 C ATOM 1141 CD1 PHE A 76 2.055 -20.280 -6.163 1.00 0.00 C ATOM 1142 CD2 PHE A 76 0.577 -21.374 -4.643 1.00 0.00 C ATOM 1143 CE1 PHE A 76 1.418 -20.886 -7.228 1.00 0.00 C ATOM 1144 CE2 PHE A 76 -0.064 -21.984 -5.708 1.00 0.00 C ATOM 1145 CZ PHE A 76 0.358 -21.739 -7.000 1.00 0.00 C ATOM 0 H PHE A 76 4.159 -18.711 -2.431 1.00 0.00 H new ATOM 0 HA PHE A 76 3.496 -21.410 -2.767 1.00 0.00 H new ATOM 0 HB2 PHE A 76 1.725 -19.877 -2.829 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.542 -18.810 -3.953 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.885 -19.615 -6.348 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.244 -21.570 -3.635 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.749 -20.692 -8.238 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.894 -22.651 -5.528 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.141 -22.215 -7.831 1.00 0.00 H new ATOM 1155 N ALA A 77 5.221 -20.026 -5.194 1.00 0.00 N ATOM 1156 CA ALA A 77 5.964 -20.279 -6.423 1.00 0.00 C ATOM 1157 C ALA A 77 6.863 -21.502 -6.288 1.00 0.00 C ATOM 1158 O ALA A 77 7.082 -22.233 -7.255 1.00 0.00 O ATOM 1159 CB ALA A 77 6.788 -19.057 -6.800 1.00 0.00 C ATOM 0 H ALA A 77 5.372 -19.100 -4.795 1.00 0.00 H new ATOM 0 HA ALA A 77 5.243 -20.481 -7.215 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.338 -19.259 -7.719 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.126 -18.205 -6.953 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.491 -18.831 -5.998 1.00 0.00 H new ATOM 1165 N VAL A 78 7.384 -21.720 -5.087 1.00 0.00 N ATOM 1166 CA VAL A 78 8.262 -22.857 -4.832 1.00 0.00 C ATOM 1167 C VAL A 78 7.532 -23.958 -4.071 1.00 0.00 C ATOM 1168 O VAL A 78 7.603 -25.132 -4.434 1.00 0.00 O ATOM 1169 CB VAL A 78 9.518 -22.436 -4.041 1.00 0.00 C ATOM 1170 CG1 VAL A 78 9.144 -21.881 -2.675 1.00 0.00 C ATOM 1171 CG2 VAL A 78 10.484 -23.603 -3.907 1.00 0.00 C ATOM 0 H VAL A 78 7.215 -21.126 -4.275 1.00 0.00 H new ATOM 0 HA VAL A 78 8.572 -23.240 -5.804 1.00 0.00 H new ATOM 0 HB VAL A 78 10.017 -21.643 -4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 78 10.048 -21.592 -2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.502 -21.009 -2.800 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.613 -22.644 -2.105 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.363 -23.285 -3.346 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.994 -24.422 -3.381 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.788 -23.939 -4.898 1.00 0.00 H new ATOM 1181 N ALA A 79 6.833 -23.568 -3.014 1.00 0.00 N ATOM 1182 CA ALA A 79 6.087 -24.517 -2.197 1.00 0.00 C ATOM 1183 C ALA A 79 5.104 -23.798 -1.279 1.00 0.00 C ATOM 1184 O ALA A 79 5.555 -23.219 -0.268 1.00 0.00 O ATOM 1185 CB ALA A 79 7.043 -25.375 -1.381 1.00 0.00 C ATOM 1186 OXT ALA A 79 3.892 -23.818 -1.580 1.00 0.00 O ATOM 0 H ALA A 79 6.766 -22.599 -2.701 1.00 0.00 H new ATOM 0 HA ALA A 79 5.515 -25.162 -2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 79 6.473 -26.079 -0.775 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.702 -25.925 -2.053 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.639 -24.736 -0.730 1.00 0.00 H new TER 1192 ALA A 79