USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=13 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 6 MET CE :methyl -172:sc= -0.589 (180deg=-0.173) USER MOD Set 1.2: A 10 TYR OH : rot -30:sc= -0.74 USER MOD Set 1.3: A 75 MET CE :methyl -141:sc= -0.911 (180deg=-1.33) USER MOD Single : A 1 MET CE :methyl -144:sc= -0.246 (180deg=-0.925) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.134 (180deg=-0.372) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 ASN :FLIP amide:sc= -1.39 F(o=-2.8,f=-1.4) USER MOD Single : A 11 MET CE :methyl -157:sc= -0.186 (180deg=-0.855) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -157:sc= -0.212 (180deg=-0.987) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN :FLIP amide:sc= -2.33! C(o=-4.1!,f=-2.3!) USER MOD Single : A 51 THR OG1 : rot 101:sc= 0.93 USER MOD Single : A 52 GLN :FLIP amide:sc= -3.35! C(o=-5.1!,f=-3.3!) USER MOD Single : A 57 MET CE :methyl 148:sc= -0.388 (180deg=-2.75) 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 ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.705 -29.536 0.679 1.00 0.00 N ATOM 2 CA MET A 1 -6.876 -28.099 1.052 1.00 0.00 C ATOM 3 C MET A 1 -5.870 -27.178 0.356 1.00 0.00 C ATOM 4 O MET A 1 -5.965 -25.956 0.467 1.00 0.00 O ATOM 5 CB MET A 1 -6.736 -27.962 2.571 1.00 0.00 C ATOM 6 CG MET A 1 -7.807 -28.696 3.357 1.00 0.00 C ATOM 7 SD MET A 1 -7.620 -28.495 5.138 1.00 0.00 S ATOM 8 CE MET A 1 -5.979 -29.169 5.383 1.00 0.00 C ATOM 0 H1 MET A 1 -7.541 -30.075 0.982 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.596 -29.616 -0.352 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.859 -29.918 1.147 1.00 0.00 H new ATOM 0 HA MET A 1 -7.867 -27.788 0.722 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.758 -28.338 2.871 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.766 -26.905 2.835 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.789 -28.331 3.055 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.772 -29.757 3.109 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.942 -29.700 6.334 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.745 -29.859 4.573 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.250 -28.358 5.391 1.00 0.00 H new ATOM 20 N GLU A 2 -4.912 -27.758 -0.356 1.00 0.00 N ATOM 21 CA GLU A 2 -3.902 -26.977 -1.057 1.00 0.00 C ATOM 22 C GLU A 2 -4.524 -26.173 -2.193 1.00 0.00 C ATOM 23 O GLU A 2 -4.382 -24.951 -2.258 1.00 0.00 O ATOM 24 CB GLU A 2 -2.811 -27.897 -1.609 1.00 0.00 C ATOM 25 CG GLU A 2 -1.703 -27.160 -2.341 1.00 0.00 C ATOM 26 CD GLU A 2 -0.925 -26.220 -1.441 1.00 0.00 C ATOM 27 OE1 GLU A 2 -1.257 -26.135 -0.239 1.00 0.00 O ATOM 28 OE2 GLU A 2 0.017 -25.567 -1.937 1.00 0.00 O ATOM 0 H GLU A 2 -4.814 -28.768 -0.463 1.00 0.00 H new ATOM 0 HA GLU A 2 -3.459 -26.281 -0.345 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -2.376 -28.464 -0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.266 -28.618 -2.288 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.018 -27.886 -2.778 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.134 -26.592 -3.165 1.00 0.00 H new ATOM 35 N ASN A 3 -5.212 -26.869 -3.092 1.00 0.00 N ATOM 36 CA ASN A 3 -5.852 -26.218 -4.227 1.00 0.00 C ATOM 37 C ASN A 3 -6.821 -25.142 -3.752 1.00 0.00 C ATOM 38 O ASN A 3 -6.899 -24.062 -4.335 1.00 0.00 O ATOM 39 CB ASN A 3 -6.587 -27.244 -5.092 1.00 0.00 C ATOM 40 CG ASN A 3 -7.208 -26.620 -6.326 1.00 0.00 C ATOM 41 OD1 ASN A 3 -6.514 -26.019 -7.148 1.00 0.00 O ATOM 42 ND2 ASN A 3 -8.521 -26.759 -6.463 1.00 0.00 N ATOM 0 H ASN A 3 -5.340 -27.880 -3.056 1.00 0.00 H new ATOM 0 HA ASN A 3 -5.076 -25.746 -4.830 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -5.890 -28.026 -5.395 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -7.366 -27.723 -4.499 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -8.994 -26.360 -7.274 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.057 -27.265 -5.758 1.00 0.00 H new ATOM 49 N LEU A 4 -7.551 -25.446 -2.685 1.00 0.00 N ATOM 50 CA LEU A 4 -8.513 -24.506 -2.121 1.00 0.00 C ATOM 51 C LEU A 4 -7.799 -23.341 -1.456 1.00 0.00 C ATOM 52 O LEU A 4 -8.162 -22.187 -1.662 1.00 0.00 O ATOM 53 CB LEU A 4 -9.427 -25.210 -1.117 1.00 0.00 C ATOM 54 CG LEU A 4 -10.287 -26.329 -1.707 1.00 0.00 C ATOM 55 CD1 LEU A 4 -11.194 -26.924 -0.642 1.00 0.00 C ATOM 56 CD2 LEU A 4 -11.105 -25.807 -2.878 1.00 0.00 C ATOM 0 H LEU A 4 -7.495 -26.337 -2.192 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.125 -24.117 -2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.813 -25.626 -0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.083 -24.468 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.627 -27.117 -2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.798 -27.718 -1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.587 -27.334 0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.848 -26.147 -0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.712 -26.615 -3.287 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -11.756 -25.002 -2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.435 -25.430 -3.650 1.00 0.00 H new ATOM 68 N ASN A 5 -6.772 -23.642 -0.673 1.00 0.00 N ATOM 69 CA ASN A 5 -6.012 -22.594 -0.008 1.00 0.00 C ATOM 70 C ASN A 5 -5.178 -21.826 -1.025 1.00 0.00 C ATOM 71 O ASN A 5 -4.671 -20.746 -0.737 1.00 0.00 O ATOM 72 CB ASN A 5 -5.111 -23.178 1.085 1.00 0.00 C ATOM 73 CG ASN A 5 -5.879 -23.854 2.217 1.00 0.00 C ATOM 74 OD1 ASN A 5 -7.210 -23.796 2.179 1.00 0.00 O flip ATOM 75 ND2 ASN A 5 -5.274 -24.418 3.129 1.00 0.00 N flip ATOM 0 H ASN A 5 -6.449 -24.591 -0.484 1.00 0.00 H new ATOM 0 HA ASN A 5 -6.716 -21.909 0.464 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.432 -23.902 0.635 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.496 -22.380 1.501 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -4.254 -24.443 3.126 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.792 -24.860 3.888 1.00 0.00 H new ATOM 82 N MET A 6 -5.050 -22.387 -2.223 1.00 0.00 N ATOM 83 CA MET A 6 -4.299 -21.746 -3.288 1.00 0.00 C ATOM 84 C MET A 6 -5.183 -20.722 -3.991 1.00 0.00 C ATOM 85 O MET A 6 -4.876 -19.524 -4.017 1.00 0.00 O ATOM 86 CB MET A 6 -3.800 -22.799 -4.280 1.00 0.00 C ATOM 87 CG MET A 6 -2.993 -22.231 -5.436 1.00 0.00 C ATOM 88 SD MET A 6 -2.348 -23.520 -6.520 1.00 0.00 S ATOM 89 CE MET A 6 -1.455 -22.546 -7.731 1.00 0.00 C ATOM 0 H MET A 6 -5.459 -23.286 -2.478 1.00 0.00 H new ATOM 0 HA MET A 6 -3.435 -21.233 -2.866 1.00 0.00 H new ATOM 0 HB2 MET A 6 -3.187 -23.525 -3.745 1.00 0.00 H new ATOM 0 HB3 MET A 6 -4.657 -23.340 -4.681 1.00 0.00 H new ATOM 0 HG2 MET A 6 -3.620 -21.553 -6.015 1.00 0.00 H new ATOM 0 HG3 MET A 6 -2.164 -21.642 -5.043 1.00 0.00 H new ATOM 0 HE1 MET A 6 -1.122 -23.192 -8.543 1.00 0.00 H new ATOM 0 HE2 MET A 6 -2.110 -21.771 -8.129 1.00 0.00 H new ATOM 0 HE3 MET A 6 -0.589 -22.082 -7.258 1.00 0.00 H new ATOM 99 N ASP A 7 -6.299 -21.200 -4.537 1.00 0.00 N ATOM 100 CA ASP A 7 -7.242 -20.334 -5.224 1.00 0.00 C ATOM 101 C ASP A 7 -7.902 -19.387 -4.231 1.00 0.00 C ATOM 102 O ASP A 7 -8.069 -18.201 -4.512 1.00 0.00 O ATOM 103 CB ASP A 7 -8.305 -21.163 -5.948 1.00 0.00 C ATOM 104 CG ASP A 7 -9.253 -21.852 -4.989 1.00 0.00 C ATOM 105 OD1 ASP A 7 -8.767 -22.548 -4.080 1.00 0.00 O ATOM 106 OD2 ASP A 7 -10.482 -21.692 -5.149 1.00 0.00 O ATOM 0 H ASP A 7 -6.569 -22.183 -4.515 1.00 0.00 H new ATOM 0 HA ASP A 7 -6.698 -19.748 -5.965 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -8.874 -20.516 -6.615 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -7.816 -21.911 -6.571 1.00 0.00 H new ATOM 111 N LEU A 8 -8.277 -19.911 -3.062 1.00 0.00 N ATOM 112 CA LEU A 8 -8.907 -19.079 -2.044 1.00 0.00 C ATOM 113 C LEU A 8 -7.961 -17.954 -1.644 1.00 0.00 C ATOM 114 O LEU A 8 -8.390 -16.842 -1.344 1.00 0.00 O ATOM 115 CB LEU A 8 -9.290 -19.918 -0.824 1.00 0.00 C ATOM 116 CG LEU A 8 -10.158 -19.217 0.233 1.00 0.00 C ATOM 117 CD1 LEU A 8 -9.336 -18.249 1.077 1.00 0.00 C ATOM 118 CD2 LEU A 8 -11.320 -18.491 -0.430 1.00 0.00 C ATOM 0 H LEU A 8 -8.157 -20.890 -2.803 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.819 -18.646 -2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -9.821 -20.805 -1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.374 -20.262 -0.343 1.00 0.00 H new ATOM 0 HG LEU A 8 -10.556 -19.983 0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.981 -17.771 1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.543 -18.795 1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.895 -17.488 0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -11.925 -18.000 0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.934 -17.744 -1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -11.934 -19.208 -0.974 1.00 0.00 H new ATOM 130 N LEU A 9 -6.668 -18.259 -1.654 1.00 0.00 N ATOM 131 CA LEU A 9 -5.647 -17.286 -1.300 1.00 0.00 C ATOM 132 C LEU A 9 -5.553 -16.185 -2.345 1.00 0.00 C ATOM 133 O LEU A 9 -5.837 -15.022 -2.056 1.00 0.00 O ATOM 134 CB LEU A 9 -4.303 -17.986 -1.135 1.00 0.00 C ATOM 135 CG LEU A 9 -3.139 -17.089 -0.734 1.00 0.00 C ATOM 136 CD1 LEU A 9 -3.440 -16.372 0.573 1.00 0.00 C ATOM 137 CD2 LEU A 9 -1.877 -17.918 -0.605 1.00 0.00 C ATOM 0 H LEU A 9 -6.303 -19.178 -1.905 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.925 -16.821 -0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.411 -18.769 -0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.052 -18.478 -2.075 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.992 -16.335 -1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.596 -15.736 0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.333 -15.759 0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.607 -17.107 1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.046 -17.274 -0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.021 -18.685 0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.655 -18.393 -1.560 1.00 0.00 H new ATOM 149 N TYR A 10 -5.175 -16.543 -3.571 1.00 0.00 N ATOM 150 CA TYR A 10 -5.066 -15.547 -4.635 1.00 0.00 C ATOM 151 C TYR A 10 -6.369 -14.773 -4.756 1.00 0.00 C ATOM 152 O TYR A 10 -6.373 -13.551 -4.906 1.00 0.00 O ATOM 153 CB TYR A 10 -4.745 -16.202 -5.977 1.00 0.00 C ATOM 154 CG TYR A 10 -3.657 -17.249 -5.909 1.00 0.00 C ATOM 155 CD1 TYR A 10 -2.537 -17.066 -5.111 1.00 0.00 C ATOM 156 CD2 TYR A 10 -3.747 -18.412 -6.659 1.00 0.00 C ATOM 157 CE1 TYR A 10 -1.536 -18.016 -5.062 1.00 0.00 C ATOM 158 CE2 TYR A 10 -2.752 -19.368 -6.614 1.00 0.00 C ATOM 159 CZ TYR A 10 -1.648 -19.165 -5.814 1.00 0.00 C ATOM 160 OH TYR A 10 -0.652 -20.113 -5.768 1.00 0.00 O ATOM 0 H TYR A 10 -4.943 -17.497 -3.849 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.253 -14.869 -4.376 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.652 -16.661 -6.371 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.446 -15.428 -6.684 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.447 -16.167 -4.519 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.610 -18.573 -7.289 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.669 -17.859 -4.437 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -2.838 -20.270 -7.202 1.00 0.00 H new ATOM 0 HH TYR A 10 0.207 -19.676 -5.591 1.00 0.00 H new ATOM 170 N MET A 11 -7.476 -15.501 -4.680 1.00 0.00 N ATOM 171 CA MET A 11 -8.794 -14.899 -4.769 1.00 0.00 C ATOM 172 C MET A 11 -9.027 -14.009 -3.555 1.00 0.00 C ATOM 173 O MET A 11 -9.626 -12.937 -3.657 1.00 0.00 O ATOM 174 CB MET A 11 -9.857 -15.987 -4.858 1.00 0.00 C ATOM 175 CG MET A 11 -11.182 -15.491 -5.409 1.00 0.00 C ATOM 176 SD MET A 11 -12.063 -14.406 -4.268 1.00 0.00 S ATOM 177 CE MET A 11 -12.357 -15.521 -2.896 1.00 0.00 C ATOM 0 H MET A 11 -7.483 -16.513 -4.556 1.00 0.00 H new ATOM 0 HA MET A 11 -8.858 -14.287 -5.669 1.00 0.00 H new ATOM 0 HB2 MET A 11 -9.488 -16.794 -5.491 1.00 0.00 H new ATOM 0 HB3 MET A 11 -10.019 -16.408 -3.866 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.003 -14.958 -6.343 1.00 0.00 H new ATOM 0 HG3 MET A 11 -11.813 -16.347 -5.647 1.00 0.00 H new ATOM 0 HE1 MET A 11 -13.206 -15.165 -2.313 1.00 0.00 H new ATOM 0 HE2 MET A 11 -12.572 -16.519 -3.278 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.472 -15.559 -2.261 1.00 0.00 H new ATOM 187 N ALA A 12 -8.512 -14.451 -2.411 1.00 0.00 N ATOM 188 CA ALA A 12 -8.627 -13.686 -1.179 1.00 0.00 C ATOM 189 C ALA A 12 -7.884 -12.375 -1.320 1.00 0.00 C ATOM 190 O ALA A 12 -8.280 -11.373 -0.745 1.00 0.00 O ATOM 191 CB ALA A 12 -8.096 -14.484 0.003 1.00 0.00 C ATOM 0 H ALA A 12 -8.012 -15.335 -2.314 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.680 -13.475 -0.992 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.192 -13.893 0.914 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.669 -15.405 0.107 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.046 -14.726 -0.164 1.00 0.00 H new ATOM 197 N ALA A 13 -6.817 -12.382 -2.109 1.00 0.00 N ATOM 198 CA ALA A 13 -6.049 -11.175 -2.346 1.00 0.00 C ATOM 199 C ALA A 13 -6.888 -10.197 -3.156 1.00 0.00 C ATOM 200 O ALA A 13 -6.797 -8.986 -2.978 1.00 0.00 O ATOM 201 CB ALA A 13 -4.752 -11.498 -3.069 1.00 0.00 C ATOM 0 H ALA A 13 -6.468 -13.209 -2.593 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.792 -10.719 -1.390 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.191 -10.579 -3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.157 -12.181 -2.462 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.977 -11.967 -4.027 1.00 0.00 H new ATOM 207 N ALA A 14 -7.731 -10.740 -4.032 1.00 0.00 N ATOM 208 CA ALA A 14 -8.613 -9.918 -4.847 1.00 0.00 C ATOM 209 C ALA A 14 -9.648 -9.253 -3.954 1.00 0.00 C ATOM 210 O ALA A 14 -9.782 -8.029 -3.939 1.00 0.00 O ATOM 211 CB ALA A 14 -9.292 -10.759 -5.919 1.00 0.00 C ATOM 0 H ALA A 14 -7.819 -11.743 -4.193 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.024 -9.150 -5.348 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.947 -10.126 -6.517 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.535 -11.209 -6.562 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.880 -11.545 -5.446 1.00 0.00 H new ATOM 217 N VAL A 15 -10.358 -10.073 -3.185 1.00 0.00 N ATOM 218 CA VAL A 15 -11.364 -9.574 -2.259 1.00 0.00 C ATOM 219 C VAL A 15 -10.706 -8.679 -1.217 1.00 0.00 C ATOM 220 O VAL A 15 -11.224 -7.624 -0.868 1.00 0.00 O ATOM 221 CB VAL A 15 -12.096 -10.730 -1.546 1.00 0.00 C ATOM 222 CG1 VAL A 15 -13.184 -10.196 -0.626 1.00 0.00 C ATOM 223 CG2 VAL A 15 -12.677 -11.702 -2.561 1.00 0.00 C ATOM 0 H VAL A 15 -10.253 -11.088 -3.186 1.00 0.00 H new ATOM 0 HA VAL A 15 -12.095 -9.006 -2.834 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.371 -11.267 -0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -13.686 -11.029 -0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -12.737 -9.546 0.127 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -13.909 -9.629 -1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -13.189 -12.510 -2.039 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -13.385 -11.178 -3.202 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -11.873 -12.116 -3.170 1.00 0.00 H new ATOM 233 N MET A 16 -9.546 -9.118 -0.738 1.00 0.00 N ATOM 234 CA MET A 16 -8.778 -8.376 0.260 1.00 0.00 C ATOM 235 C MET A 16 -8.341 -7.014 -0.262 1.00 0.00 C ATOM 236 O MET A 16 -8.539 -5.990 0.394 1.00 0.00 O ATOM 237 CB MET A 16 -7.552 -9.189 0.682 1.00 0.00 C ATOM 238 CG MET A 16 -7.853 -10.250 1.717 1.00 0.00 C ATOM 239 SD MET A 16 -8.434 -9.555 3.277 1.00 0.00 S ATOM 240 CE MET A 16 -8.670 -11.045 4.243 1.00 0.00 C ATOM 0 H MET A 16 -9.112 -9.994 -1.028 1.00 0.00 H new ATOM 0 HA MET A 16 -9.425 -8.210 1.122 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.122 -9.665 -0.199 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.796 -8.511 1.079 1.00 0.00 H new ATOM 0 HG2 MET A 16 -8.608 -10.931 1.324 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.955 -10.840 1.899 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.029 -10.781 5.238 1.00 0.00 H new ATOM 0 HE2 MET A 16 -9.402 -11.685 3.751 1.00 0.00 H new ATOM 0 HE3 MET A 16 -7.722 -11.577 4.329 1.00 0.00 H new ATOM 250 N MET A 17 -7.736 -7.011 -1.436 1.00 0.00 N ATOM 251 CA MET A 17 -7.261 -5.776 -2.047 1.00 0.00 C ATOM 252 C MET A 17 -8.432 -4.879 -2.419 1.00 0.00 C ATOM 253 O MET A 17 -8.374 -3.661 -2.249 1.00 0.00 O ATOM 254 CB MET A 17 -6.416 -6.077 -3.288 1.00 0.00 C ATOM 255 CG MET A 17 -5.076 -6.725 -2.974 1.00 0.00 C ATOM 256 SD MET A 17 -3.980 -5.632 -2.052 1.00 0.00 S ATOM 257 CE MET A 17 -3.839 -4.259 -3.191 1.00 0.00 C ATOM 0 H MET A 17 -7.560 -7.850 -1.989 1.00 0.00 H new ATOM 0 HA MET A 17 -6.638 -5.256 -1.319 1.00 0.00 H new ATOM 0 HB2 MET A 17 -6.980 -6.733 -3.950 1.00 0.00 H new ATOM 0 HB3 MET A 17 -6.242 -5.149 -3.832 1.00 0.00 H new ATOM 0 HG2 MET A 17 -5.243 -7.636 -2.399 1.00 0.00 H new ATOM 0 HG3 MET A 17 -4.591 -7.019 -3.905 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.920 -3.709 -2.986 1.00 0.00 H new ATOM 0 HE2 MET A 17 -3.816 -4.635 -4.214 1.00 0.00 H new ATOM 0 HE3 MET A 17 -4.695 -3.595 -3.068 1.00 0.00 H new ATOM 267 N GLY A 18 -9.498 -5.490 -2.921 1.00 0.00 N ATOM 268 CA GLY A 18 -10.670 -4.731 -3.306 1.00 0.00 C ATOM 269 C GLY A 18 -11.404 -4.159 -2.113 1.00 0.00 C ATOM 270 O GLY A 18 -11.718 -2.975 -2.086 1.00 0.00 O ATOM 0 H GLY A 18 -9.571 -6.497 -3.068 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.372 -3.919 -3.969 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.346 -5.373 -3.871 1.00 0.00 H new ATOM 274 N LEU A 19 -11.680 -5.001 -1.124 1.00 0.00 N ATOM 275 CA LEU A 19 -12.387 -4.563 0.074 1.00 0.00 C ATOM 276 C LEU A 19 -11.604 -3.456 0.768 1.00 0.00 C ATOM 277 O LEU A 19 -12.162 -2.415 1.130 1.00 0.00 O ATOM 278 CB LEU A 19 -12.618 -5.747 1.022 1.00 0.00 C ATOM 279 CG LEU A 19 -11.371 -6.317 1.698 1.00 0.00 C ATOM 280 CD1 LEU A 19 -10.990 -5.495 2.921 1.00 0.00 C ATOM 281 CD2 LEU A 19 -11.594 -7.771 2.083 1.00 0.00 C ATOM 0 H LEU A 19 -11.426 -5.989 -1.128 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.360 -4.167 -0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.317 -5.435 1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.101 -6.547 0.461 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.547 -6.267 0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -10.100 -5.922 3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.785 -4.468 2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.812 -5.506 3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.697 -8.162 2.563 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.434 -7.840 2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.811 -8.355 1.189 1.00 0.00 H new ATOM 293 N ALA A 20 -10.303 -3.676 0.934 1.00 0.00 N ATOM 294 CA ALA A 20 -9.447 -2.687 1.563 1.00 0.00 C ATOM 295 C ALA A 20 -9.351 -1.455 0.679 1.00 0.00 C ATOM 296 O ALA A 20 -9.246 -0.330 1.167 1.00 0.00 O ATOM 297 CB ALA A 20 -8.067 -3.265 1.832 1.00 0.00 C ATOM 0 H ALA A 20 -9.824 -4.528 0.642 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.882 -2.401 2.520 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.441 -2.508 2.304 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.156 -4.126 2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.613 -3.576 0.891 1.00 0.00 H new ATOM 303 N ALA A 21 -9.403 -1.680 -0.632 1.00 0.00 N ATOM 304 CA ALA A 21 -9.338 -0.590 -1.592 1.00 0.00 C ATOM 305 C ALA A 21 -10.578 0.274 -1.492 1.00 0.00 C ATOM 306 O ALA A 21 -10.499 1.498 -1.511 1.00 0.00 O ATOM 307 CB ALA A 21 -9.173 -1.126 -3.006 1.00 0.00 C ATOM 0 H ALA A 21 -9.490 -2.607 -1.049 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.468 0.023 -1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.127 -0.293 -3.708 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.252 -1.706 -3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.022 -1.763 -3.255 1.00 0.00 H new ATOM 313 N ILE A 22 -11.721 -0.377 -1.358 1.00 0.00 N ATOM 314 CA ILE A 22 -12.987 0.328 -1.227 1.00 0.00 C ATOM 315 C ILE A 22 -12.978 1.177 0.036 1.00 0.00 C ATOM 316 O ILE A 22 -13.097 2.398 -0.028 1.00 0.00 O ATOM 317 CB ILE A 22 -14.183 -0.640 -1.180 1.00 0.00 C ATOM 318 CG1 ILE A 22 -14.229 -1.491 -2.448 1.00 0.00 C ATOM 319 CG2 ILE A 22 -15.487 0.127 -1.009 1.00 0.00 C ATOM 320 CD1 ILE A 22 -15.317 -2.543 -2.429 1.00 0.00 C ATOM 0 H ILE A 22 -11.799 -1.394 -1.337 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.100 0.962 -2.106 1.00 0.00 H new ATOM 0 HB ILE A 22 -14.057 -1.300 -0.322 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.380 -0.839 -3.308 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.264 -1.980 -2.583 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -16.320 -0.575 -0.978 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.456 0.695 -0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -15.619 0.811 -1.847 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -15.291 -3.110 -3.360 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -15.156 -3.218 -1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -16.289 -2.060 -2.325 1.00 0.00 H new ATOM 332 N GLY A 23 -12.820 0.524 1.186 1.00 0.00 N ATOM 333 CA GLY A 23 -12.785 1.249 2.445 1.00 0.00 C ATOM 334 C GLY A 23 -11.699 2.306 2.456 1.00 0.00 C ATOM 335 O GLY A 23 -11.931 3.452 2.857 1.00 0.00 O ATOM 0 H GLY A 23 -12.716 -0.487 1.268 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.752 1.720 2.620 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.619 0.548 3.263 1.00 0.00 H new ATOM 339 N ALA A 24 -10.511 1.919 2.000 1.00 0.00 N ATOM 340 CA ALA A 24 -9.380 2.834 1.941 1.00 0.00 C ATOM 341 C ALA A 24 -9.678 3.992 1.004 1.00 0.00 C ATOM 342 O ALA A 24 -9.350 5.137 1.293 1.00 0.00 O ATOM 343 CB ALA A 24 -8.128 2.100 1.490 1.00 0.00 C ATOM 0 H ALA A 24 -10.309 0.977 1.666 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.209 3.234 2.941 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.291 2.798 1.451 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.901 1.300 2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.292 1.675 0.500 1.00 0.00 H new ATOM 349 N ALA A 25 -10.311 3.687 -0.122 1.00 0.00 N ATOM 350 CA ALA A 25 -10.658 4.715 -1.093 1.00 0.00 C ATOM 351 C ALA A 25 -11.646 5.704 -0.485 1.00 0.00 C ATOM 352 O ALA A 25 -11.500 6.916 -0.623 1.00 0.00 O ATOM 353 CB ALA A 25 -11.237 4.092 -2.354 1.00 0.00 C ATOM 0 H ALA A 25 -10.593 2.742 -0.384 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.749 5.252 -1.365 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.489 4.878 -3.066 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.502 3.422 -2.799 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.136 3.529 -2.102 1.00 0.00 H new ATOM 359 N ILE A 26 -12.640 5.175 0.218 1.00 0.00 N ATOM 360 CA ILE A 26 -13.637 6.013 0.866 1.00 0.00 C ATOM 361 C ILE A 26 -12.987 6.984 1.848 1.00 0.00 C ATOM 362 O ILE A 26 -13.100 8.198 1.691 1.00 0.00 O ATOM 363 CB ILE A 26 -14.686 5.169 1.613 1.00 0.00 C ATOM 364 CG1 ILE A 26 -15.390 4.218 0.646 1.00 0.00 C ATOM 365 CG2 ILE A 26 -15.704 6.067 2.304 1.00 0.00 C ATOM 366 CD1 ILE A 26 -16.331 3.250 1.329 1.00 0.00 C ATOM 0 H ILE A 26 -12.776 4.173 0.353 1.00 0.00 H new ATOM 0 HA ILE A 26 -14.134 6.577 0.077 1.00 0.00 H new ATOM 0 HB ILE A 26 -14.174 4.579 2.373 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -15.950 4.803 -0.083 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -14.639 3.653 0.093 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -16.437 5.452 2.826 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -15.194 6.711 3.021 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -16.211 6.682 1.560 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -16.795 2.606 0.582 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -15.773 2.639 2.038 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -17.104 3.807 1.859 1.00 0.00 H new ATOM 378 N GLY A 27 -12.315 6.448 2.867 1.00 0.00 N ATOM 379 CA GLY A 27 -11.681 7.307 3.858 1.00 0.00 C ATOM 380 C GLY A 27 -10.525 8.110 3.298 1.00 0.00 C ATOM 381 O GLY A 27 -10.388 9.296 3.603 1.00 0.00 O ATOM 0 H GLY A 27 -12.199 5.447 3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.425 7.990 4.267 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.323 6.694 4.685 1.00 0.00 H new ATOM 385 N ILE A 28 -9.687 7.481 2.477 1.00 0.00 N ATOM 386 CA ILE A 28 -8.557 8.192 1.891 1.00 0.00 C ATOM 387 C ILE A 28 -9.084 9.418 1.180 1.00 0.00 C ATOM 388 O ILE A 28 -8.609 10.530 1.375 1.00 0.00 O ATOM 389 CB ILE A 28 -7.752 7.307 0.915 1.00 0.00 C ATOM 390 CG1 ILE A 28 -6.362 7.896 0.695 1.00 0.00 C ATOM 391 CG2 ILE A 28 -8.468 7.132 -0.416 1.00 0.00 C ATOM 392 CD1 ILE A 28 -5.563 8.038 1.969 1.00 0.00 C ATOM 0 H ILE A 28 -9.767 6.501 2.207 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.871 8.477 2.689 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.657 6.320 1.367 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.813 7.262 -0.001 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.460 8.875 0.225 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.867 6.503 -1.073 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.437 6.661 -0.249 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.614 8.107 -0.881 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.586 8.463 1.740 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.092 8.696 2.659 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.434 7.058 2.429 1.00 0.00 H new ATOM 404 N GLY A 29 -10.129 9.193 0.409 1.00 0.00 N ATOM 405 CA GLY A 29 -10.782 10.279 -0.288 1.00 0.00 C ATOM 406 C GLY A 29 -11.352 11.279 0.696 1.00 0.00 C ATOM 407 O GLY A 29 -11.329 12.485 0.457 1.00 0.00 O ATOM 0 H GLY A 29 -10.541 8.273 0.251 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.070 10.775 -0.947 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.580 9.886 -0.918 1.00 0.00 H new ATOM 411 N ILE A 30 -11.857 10.769 1.821 1.00 0.00 N ATOM 412 CA ILE A 30 -12.425 11.621 2.860 1.00 0.00 C ATOM 413 C ILE A 30 -11.367 12.571 3.424 1.00 0.00 C ATOM 414 O ILE A 30 -11.398 13.772 3.155 1.00 0.00 O ATOM 415 CB ILE A 30 -13.049 10.777 4.006 1.00 0.00 C ATOM 416 CG1 ILE A 30 -14.250 9.995 3.480 1.00 0.00 C ATOM 417 CG2 ILE A 30 -13.480 11.662 5.171 1.00 0.00 C ATOM 418 CD1 ILE A 30 -14.893 9.102 4.518 1.00 0.00 C ATOM 0 H ILE A 30 -11.883 9.772 2.033 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.218 12.211 2.400 1.00 0.00 H new ATOM 0 HB ILE A 30 -12.290 10.083 4.367 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -14.995 10.697 3.106 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -13.934 9.385 2.634 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -13.913 11.043 5.957 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -12.614 12.194 5.564 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -14.222 12.382 4.826 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -15.739 8.578 4.073 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -14.163 8.376 4.875 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -15.241 9.708 5.354 1.00 0.00 H new ATOM 430 N LEU A 31 -10.436 12.027 4.207 1.00 0.00 N ATOM 431 CA LEU A 31 -9.371 12.825 4.819 1.00 0.00 C ATOM 432 C LEU A 31 -8.361 13.280 3.770 1.00 0.00 C ATOM 433 O LEU A 31 -7.907 14.425 3.786 1.00 0.00 O ATOM 434 CB LEU A 31 -8.671 12.008 5.913 1.00 0.00 C ATOM 435 CG LEU A 31 -7.576 12.739 6.701 1.00 0.00 C ATOM 436 CD1 LEU A 31 -6.327 12.941 5.852 1.00 0.00 C ATOM 437 CD2 LEU A 31 -8.092 14.073 7.218 1.00 0.00 C ATOM 0 H LEU A 31 -10.397 11.033 4.434 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.817 13.713 5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.426 11.659 6.617 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.231 11.123 5.453 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.304 12.117 7.554 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.569 13.461 6.438 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.940 11.972 5.538 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.577 13.535 4.973 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.302 14.578 7.774 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.398 14.695 6.377 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.946 13.903 7.874 1.00 0.00 H new ATOM 449 N GLY A 32 -8.011 12.379 2.863 1.00 0.00 N ATOM 450 CA GLY A 32 -7.059 12.714 1.821 1.00 0.00 C ATOM 451 C GLY A 32 -7.600 13.774 0.885 1.00 0.00 C ATOM 452 O GLY A 32 -6.896 14.720 0.539 1.00 0.00 O ATOM 0 H GLY A 32 -8.368 11.424 2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.133 13.068 2.275 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.813 11.818 1.252 1.00 0.00 H new ATOM 456 N GLY A 33 -8.860 13.625 0.486 1.00 0.00 N ATOM 457 CA GLY A 33 -9.471 14.594 -0.405 1.00 0.00 C ATOM 458 C GLY A 33 -9.598 15.965 0.231 1.00 0.00 C ATOM 459 O GLY A 33 -9.416 16.982 -0.437 1.00 0.00 O ATOM 0 H GLY A 33 -9.467 12.853 0.763 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.876 14.672 -1.315 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.459 14.240 -0.700 1.00 0.00 H new ATOM 463 N LYS A 34 -9.916 15.994 1.524 1.00 0.00 N ATOM 464 CA LYS A 34 -10.067 17.257 2.243 1.00 0.00 C ATOM 465 C LYS A 34 -8.709 17.913 2.461 1.00 0.00 C ATOM 466 O LYS A 34 -8.526 19.104 2.190 1.00 0.00 O ATOM 467 CB LYS A 34 -10.770 17.030 3.589 1.00 0.00 C ATOM 468 CG LYS A 34 -10.015 16.115 4.537 1.00 0.00 C ATOM 469 CD LYS A 34 -10.756 15.941 5.858 1.00 0.00 C ATOM 470 CE LYS A 34 -12.112 15.282 5.658 1.00 0.00 C ATOM 471 NZ LYS A 34 -12.839 15.094 6.945 1.00 0.00 N ATOM 0 H LYS A 34 -10.073 15.162 2.092 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.682 17.924 1.638 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.921 17.994 4.075 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.758 16.608 3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.873 15.141 4.068 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.023 16.525 4.727 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.154 15.337 6.536 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.890 16.914 6.331 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.716 15.893 4.987 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.977 14.315 5.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.758 14.642 6.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.276 14.490 7.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.992 16.019 7.396 1.00 0.00 H new ATOM 485 N PHE A 35 -7.756 17.127 2.935 1.00 0.00 N ATOM 486 CA PHE A 35 -6.414 17.629 3.173 1.00 0.00 C ATOM 487 C PHE A 35 -5.799 18.051 1.847 1.00 0.00 C ATOM 488 O PHE A 35 -5.266 19.153 1.709 1.00 0.00 O ATOM 489 CB PHE A 35 -5.553 16.544 3.827 1.00 0.00 C ATOM 490 CG PHE A 35 -4.379 17.085 4.594 1.00 0.00 C ATOM 491 CD1 PHE A 35 -3.418 17.864 3.969 1.00 0.00 C ATOM 492 CD2 PHE A 35 -4.243 16.818 5.945 1.00 0.00 C ATOM 493 CE1 PHE A 35 -2.346 18.366 4.680 1.00 0.00 C ATOM 494 CE2 PHE A 35 -3.172 17.317 6.660 1.00 0.00 C ATOM 495 CZ PHE A 35 -2.223 18.093 6.027 1.00 0.00 C ATOM 0 H PHE A 35 -7.887 16.141 3.162 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.461 18.486 3.845 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -6.176 15.955 4.501 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -5.190 15.866 3.055 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.509 18.081 2.915 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.983 16.212 6.446 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.604 18.972 4.182 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.077 17.100 7.714 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.386 18.486 6.585 1.00 0.00 H new ATOM 505 N LEU A 36 -5.891 17.153 0.870 1.00 0.00 N ATOM 506 CA LEU A 36 -5.351 17.395 -0.463 1.00 0.00 C ATOM 507 C LEU A 36 -5.927 18.663 -1.069 1.00 0.00 C ATOM 508 O LEU A 36 -5.181 19.514 -1.541 1.00 0.00 O ATOM 509 CB LEU A 36 -5.630 16.206 -1.389 1.00 0.00 C ATOM 510 CG LEU A 36 -4.962 16.279 -2.769 1.00 0.00 C ATOM 511 CD1 LEU A 36 -5.152 14.973 -3.524 1.00 0.00 C ATOM 512 CD2 LEU A 36 -5.517 17.439 -3.586 1.00 0.00 C ATOM 0 H LEU A 36 -6.339 16.243 0.979 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.273 17.519 -0.360 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.300 15.294 -0.892 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.708 16.121 -1.529 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.896 16.446 -2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.672 15.044 -4.500 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.704 14.157 -2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.217 14.781 -3.657 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.026 17.467 -4.559 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.590 17.306 -3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.333 18.376 -3.060 1.00 0.00 H new ATOM 524 N GLU A 37 -7.253 18.794 -1.075 1.00 0.00 N ATOM 525 CA GLU A 37 -7.873 19.973 -1.650 1.00 0.00 C ATOM 526 C GLU A 37 -7.345 21.224 -0.960 1.00 0.00 C ATOM 527 O GLU A 37 -6.867 22.156 -1.612 1.00 0.00 O ATOM 528 CB GLU A 37 -9.397 19.887 -1.549 1.00 0.00 C ATOM 529 CG GLU A 37 -9.939 19.895 -0.132 1.00 0.00 C ATOM 530 CD GLU A 37 -11.452 19.784 -0.090 1.00 0.00 C ATOM 531 OE1 GLU A 37 -11.986 18.758 -0.562 1.00 0.00 O ATOM 532 OE2 GLU A 37 -12.101 20.725 0.411 1.00 0.00 O ATOM 0 H GLU A 37 -7.904 18.108 -0.694 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.616 20.028 -2.708 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.832 20.724 -2.095 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.730 18.976 -2.046 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.501 19.067 0.426 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.631 20.814 0.367 1.00 0.00 H new ATOM 539 N GLY A 38 -7.403 21.229 0.367 1.00 0.00 N ATOM 540 CA GLY A 38 -6.900 22.366 1.117 1.00 0.00 C ATOM 541 C GLY A 38 -5.464 22.695 0.746 1.00 0.00 C ATOM 542 O GLY A 38 -5.151 23.830 0.382 1.00 0.00 O ATOM 0 H GLY A 38 -7.786 20.473 0.934 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.532 23.234 0.929 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.960 22.153 2.184 1.00 0.00 H new ATOM 546 N ALA A 39 -4.592 21.693 0.830 1.00 0.00 N ATOM 547 CA ALA A 39 -3.183 21.872 0.496 1.00 0.00 C ATOM 548 C ALA A 39 -3.011 22.206 -0.980 1.00 0.00 C ATOM 549 O ALA A 39 -2.217 23.069 -1.347 1.00 0.00 O ATOM 550 CB ALA A 39 -2.389 20.620 0.853 1.00 0.00 C ATOM 0 H ALA A 39 -4.837 20.749 1.127 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.800 22.708 1.080 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.340 20.769 0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.478 20.425 1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.781 19.769 0.295 1.00 0.00 H new ATOM 556 N ALA A 40 -3.757 21.513 -1.830 1.00 0.00 N ATOM 557 CA ALA A 40 -3.681 21.741 -3.266 1.00 0.00 C ATOM 558 C ALA A 40 -3.979 23.198 -3.593 1.00 0.00 C ATOM 559 O ALA A 40 -3.444 23.749 -4.555 1.00 0.00 O ATOM 560 CB ALA A 40 -4.628 20.814 -4.006 1.00 0.00 C ATOM 0 H ALA A 40 -4.420 20.790 -1.551 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.666 21.520 -3.597 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.556 21.000 -5.078 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.359 19.778 -3.799 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.650 20.997 -3.674 1.00 0.00 H new ATOM 566 N ARG A 41 -4.820 23.824 -2.776 1.00 0.00 N ATOM 567 CA ARG A 41 -5.158 25.224 -2.972 1.00 0.00 C ATOM 568 C ARG A 41 -4.076 26.102 -2.366 1.00 0.00 C ATOM 569 O ARG A 41 -3.729 27.156 -2.901 1.00 0.00 O ATOM 570 CB ARG A 41 -6.496 25.555 -2.314 1.00 0.00 C ATOM 571 CG ARG A 41 -7.674 24.761 -2.847 1.00 0.00 C ATOM 572 CD ARG A 41 -8.903 24.998 -1.988 1.00 0.00 C ATOM 573 NE ARG A 41 -10.024 24.141 -2.366 1.00 0.00 N ATOM 574 CZ ARG A 41 -11.211 24.168 -1.762 1.00 0.00 C ATOM 575 NH1 ARG A 41 -11.440 25.027 -0.776 1.00 0.00 N ATOM 576 NH2 ARG A 41 -12.172 23.340 -2.146 1.00 0.00 N ATOM 0 H ARG A 41 -5.276 23.384 -1.977 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.234 25.411 -4.043 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.412 25.380 -1.241 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.700 26.617 -2.449 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.881 25.052 -3.877 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.430 23.699 -2.858 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.651 24.821 -0.942 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.204 26.042 -2.071 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.890 23.485 -3.136 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.706 25.669 -0.478 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.350 25.045 -0.316 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -12.003 22.680 -2.905 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.080 23.362 -1.682 1.00 0.00 H new ATOM 590 N GLN A 42 -3.564 25.652 -1.230 1.00 0.00 N ATOM 591 CA GLN A 42 -2.531 26.364 -0.501 1.00 0.00 C ATOM 592 C GLN A 42 -1.430 26.866 -1.441 1.00 0.00 C ATOM 593 O GLN A 42 -0.882 26.112 -2.246 1.00 0.00 O ATOM 594 CB GLN A 42 -1.932 25.470 0.585 1.00 0.00 C ATOM 595 CG GLN A 42 -1.119 26.227 1.628 1.00 0.00 C ATOM 596 CD GLN A 42 -1.946 27.195 2.471 1.00 0.00 C ATOM 597 OE1 GLN A 42 -3.271 27.168 2.322 1.00 0.00 O flip ATOM 598 NE2 GLN A 42 -1.394 27.958 3.265 1.00 0.00 N flip ATOM 0 H GLN A 42 -3.856 24.780 -0.789 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.993 27.232 -0.030 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.738 24.934 1.086 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.295 24.721 0.115 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.634 25.508 2.288 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.328 26.783 1.125 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.378 27.953 3.354 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.953 28.595 3.833 1.00 0.00 H new ATOM 607 N PRO A 43 -1.124 28.164 -1.347 1.00 0.00 N ATOM 608 CA PRO A 43 -0.122 28.846 -2.166 1.00 0.00 C ATOM 609 C PRO A 43 1.089 28.002 -2.583 1.00 0.00 C ATOM 610 O PRO A 43 1.641 28.222 -3.661 1.00 0.00 O ATOM 611 CB PRO A 43 0.314 29.980 -1.247 1.00 0.00 C ATOM 612 CG PRO A 43 -0.923 30.351 -0.498 1.00 0.00 C ATOM 613 CD PRO A 43 -1.775 29.105 -0.421 1.00 0.00 C ATOM 0 HA PRO A 43 -0.543 29.139 -3.127 1.00 0.00 H new ATOM 0 HB2 PRO A 43 1.107 29.660 -0.571 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.702 30.825 -1.816 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -0.677 30.714 0.500 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.457 31.154 -1.006 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.808 28.707 0.593 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.804 29.307 -0.717 1.00 0.00 H new ATOM 621 N ASP A 44 1.532 27.064 -1.745 1.00 0.00 N ATOM 622 CA ASP A 44 2.709 26.260 -2.098 1.00 0.00 C ATOM 623 C ASP A 44 2.595 24.790 -1.694 1.00 0.00 C ATOM 624 O ASP A 44 3.608 24.138 -1.445 1.00 0.00 O ATOM 625 CB ASP A 44 3.962 26.866 -1.463 1.00 0.00 C ATOM 626 CG ASP A 44 4.253 28.262 -1.975 1.00 0.00 C ATOM 627 OD1 ASP A 44 4.491 28.410 -3.192 1.00 0.00 O ATOM 628 OD2 ASP A 44 4.241 29.208 -1.160 1.00 0.00 O ATOM 0 H ASP A 44 1.111 26.844 -0.843 1.00 0.00 H new ATOM 0 HA ASP A 44 2.776 26.281 -3.186 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.838 26.898 -0.381 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.817 26.222 -1.667 1.00 0.00 H new ATOM 633 N LEU A 45 1.379 24.255 -1.653 1.00 0.00 N ATOM 634 CA LEU A 45 1.187 22.846 -1.299 1.00 0.00 C ATOM 635 C LEU A 45 0.634 22.039 -2.479 1.00 0.00 C ATOM 636 O LEU A 45 0.307 20.858 -2.338 1.00 0.00 O ATOM 637 CB LEU A 45 0.273 22.713 -0.079 1.00 0.00 C ATOM 638 CG LEU A 45 0.956 22.944 1.273 1.00 0.00 C ATOM 639 CD1 LEU A 45 1.680 24.280 1.294 1.00 0.00 C ATOM 640 CD2 LEU A 45 -0.062 22.873 2.403 1.00 0.00 C ATOM 0 H LEU A 45 0.519 24.765 -1.857 1.00 0.00 H new ATOM 0 HA LEU A 45 2.164 22.435 -1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.548 23.423 -0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.167 21.716 -0.081 1.00 0.00 H new ATOM 0 HG LEU A 45 1.694 22.155 1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.157 24.420 2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.439 24.295 0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.965 25.084 1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.440 23.039 3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.823 23.639 2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.533 21.890 2.408 1.00 0.00 H new ATOM 652 N ILE A 46 0.551 22.671 -3.650 1.00 0.00 N ATOM 653 CA ILE A 46 0.058 21.993 -4.847 1.00 0.00 C ATOM 654 C ILE A 46 0.752 20.638 -5.027 1.00 0.00 C ATOM 655 O ILE A 46 0.094 19.632 -5.284 1.00 0.00 O ATOM 656 CB ILE A 46 0.254 22.838 -6.128 1.00 0.00 C ATOM 657 CG1 ILE A 46 -0.458 24.195 -6.021 1.00 0.00 C ATOM 658 CG2 ILE A 46 -0.250 22.081 -7.353 1.00 0.00 C ATOM 659 CD1 ILE A 46 0.298 25.234 -5.222 1.00 0.00 C ATOM 0 H ILE A 46 0.817 23.645 -3.794 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.012 21.846 -4.700 1.00 0.00 H new ATOM 0 HB ILE A 46 1.323 23.023 -6.238 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.631 24.581 -7.025 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.436 24.044 -5.565 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.104 22.692 -8.244 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.304 21.148 -7.458 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.311 21.862 -7.234 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.275 26.161 -5.197 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.448 24.872 -4.205 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.266 25.418 -5.688 1.00 0.00 H new ATOM 671 N PRO A 47 2.098 20.582 -4.907 1.00 0.00 N ATOM 672 CA PRO A 47 2.833 19.331 -5.056 1.00 0.00 C ATOM 673 C PRO A 47 2.744 18.487 -3.792 1.00 0.00 C ATOM 674 O PRO A 47 2.988 17.274 -3.808 1.00 0.00 O ATOM 675 CB PRO A 47 4.261 19.789 -5.325 1.00 0.00 C ATOM 676 CG PRO A 47 4.377 21.091 -4.608 1.00 0.00 C ATOM 677 CD PRO A 47 3.002 21.717 -4.622 1.00 0.00 C ATOM 0 HA PRO A 47 2.439 18.697 -5.850 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.987 19.065 -4.953 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.446 19.906 -6.393 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.724 20.940 -3.586 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.103 21.740 -5.098 1.00 0.00 H new ATOM 0 HD2 PRO A 47 2.766 22.185 -3.666 1.00 0.00 H new ATOM 0 HD3 PRO A 47 2.923 22.492 -5.385 1.00 0.00 H new ATOM 685 N LEU A 48 2.348 19.130 -2.699 1.00 0.00 N ATOM 686 CA LEU A 48 2.157 18.428 -1.446 1.00 0.00 C ATOM 687 C LEU A 48 0.940 17.544 -1.619 1.00 0.00 C ATOM 688 O LEU A 48 0.836 16.468 -1.035 1.00 0.00 O ATOM 689 CB LEU A 48 1.928 19.414 -0.298 1.00 0.00 C ATOM 690 CG LEU A 48 1.532 18.771 1.030 1.00 0.00 C ATOM 691 CD1 LEU A 48 2.695 17.988 1.615 1.00 0.00 C ATOM 692 CD2 LEU A 48 1.043 19.830 2.006 1.00 0.00 C ATOM 0 H LEU A 48 2.155 20.131 -2.660 1.00 0.00 H new ATOM 0 HA LEU A 48 3.042 17.841 -1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.839 19.993 -0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.149 20.117 -0.592 1.00 0.00 H new ATOM 0 HG LEU A 48 0.716 18.072 0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.392 17.538 2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.992 17.204 0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.536 18.660 1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.765 19.356 2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.838 20.554 2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.176 20.339 1.586 1.00 0.00 H new ATOM 704 N LEU A 49 0.027 18.034 -2.461 1.00 0.00 N ATOM 705 CA LEU A 49 -1.208 17.348 -2.788 1.00 0.00 C ATOM 706 C LEU A 49 -0.934 15.879 -3.127 1.00 0.00 C ATOM 707 O LEU A 49 -1.441 14.975 -2.462 1.00 0.00 O ATOM 708 CB LEU A 49 -1.891 18.106 -3.949 1.00 0.00 C ATOM 709 CG LEU A 49 -1.940 17.412 -5.318 1.00 0.00 C ATOM 710 CD1 LEU A 49 -2.822 16.169 -5.277 1.00 0.00 C ATOM 711 CD2 LEU A 49 -2.434 18.380 -6.385 1.00 0.00 C ATOM 0 H LEU A 49 0.134 18.930 -2.936 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.883 17.342 -1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.915 18.329 -3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.380 19.061 -4.074 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.928 17.096 -5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.836 15.700 -6.261 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.425 15.465 -4.545 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.836 16.452 -4.995 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.463 17.874 -7.350 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.435 18.727 -6.127 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.758 19.233 -6.443 1.00 0.00 H new ATOM 723 N ARG A 50 -0.111 15.652 -4.146 1.00 0.00 N ATOM 724 CA ARG A 50 0.241 14.310 -4.560 1.00 0.00 C ATOM 725 C ARG A 50 1.170 13.675 -3.543 1.00 0.00 C ATOM 726 O ARG A 50 1.025 12.506 -3.186 1.00 0.00 O ATOM 727 CB ARG A 50 0.913 14.354 -5.928 1.00 0.00 C ATOM 728 CG ARG A 50 -0.030 14.724 -7.059 1.00 0.00 C ATOM 729 CD ARG A 50 0.689 14.749 -8.397 1.00 0.00 C ATOM 730 NE ARG A 50 1.742 15.761 -8.433 1.00 0.00 N ATOM 731 CZ ARG A 50 2.502 16.000 -9.500 1.00 0.00 C ATOM 732 NH1 ARG A 50 2.328 15.305 -10.617 1.00 0.00 N ATOM 733 NH2 ARG A 50 3.437 16.938 -9.449 1.00 0.00 N ATOM 0 H ARG A 50 0.324 16.390 -4.700 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.666 13.709 -4.626 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.731 15.074 -5.898 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.354 13.379 -6.138 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.851 14.008 -7.099 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.470 15.702 -6.863 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.122 13.768 -8.595 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.031 14.946 -9.192 1.00 0.00 H new ATOM 0 HE ARG A 50 1.904 16.316 -7.593 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.609 14.583 -10.662 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.913 15.493 -11.431 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.574 17.476 -8.593 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.020 17.122 -10.266 1.00 0.00 H new ATOM 747 N THR A 51 2.128 14.464 -3.077 1.00 0.00 N ATOM 748 CA THR A 51 3.098 13.994 -2.096 1.00 0.00 C ATOM 749 C THR A 51 2.404 13.380 -0.889 1.00 0.00 C ATOM 750 O THR A 51 2.847 12.370 -0.352 1.00 0.00 O ATOM 751 CB THR A 51 3.983 15.155 -1.656 1.00 0.00 C ATOM 752 OG1 THR A 51 4.535 15.806 -2.784 1.00 0.00 O ATOM 753 CG2 THR A 51 5.122 14.738 -0.754 1.00 0.00 C ATOM 0 H THR A 51 2.255 15.435 -3.363 1.00 0.00 H new ATOM 0 HA THR A 51 3.712 13.222 -2.560 1.00 0.00 H new ATOM 0 HB THR A 51 3.332 15.822 -1.091 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.032 16.627 -2.966 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.709 15.615 -0.481 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.721 14.274 0.147 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.758 14.024 -1.277 1.00 0.00 H new ATOM 761 N GLN A 52 1.310 13.991 -0.463 1.00 0.00 N ATOM 762 CA GLN A 52 0.565 13.485 0.681 1.00 0.00 C ATOM 763 C GLN A 52 -0.402 12.398 0.237 1.00 0.00 C ATOM 764 O GLN A 52 -0.670 11.451 0.972 1.00 0.00 O ATOM 765 CB GLN A 52 -0.206 14.610 1.364 1.00 0.00 C ATOM 766 CG GLN A 52 -1.309 15.199 0.505 1.00 0.00 C ATOM 767 CD GLN A 52 -2.096 16.263 1.232 1.00 0.00 C ATOM 768 OE1 GLN A 52 -3.391 16.036 1.372 1.00 0.00 O flip ATOM 769 NE2 GLN A 52 -1.546 17.279 1.663 1.00 0.00 N flip ATOM 0 H GLN A 52 0.919 14.832 -0.888 1.00 0.00 H new ATOM 0 HA GLN A 52 1.276 13.066 1.393 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.640 14.232 2.289 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.491 15.402 1.639 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.874 15.626 -0.399 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.984 14.404 0.189 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.543 17.411 1.531 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.094 17.987 2.151 1.00 0.00 H new ATOM 778 N PHE A 53 -0.932 12.548 -0.971 1.00 0.00 N ATOM 779 CA PHE A 53 -1.883 11.581 -1.506 1.00 0.00 C ATOM 780 C PHE A 53 -1.283 10.178 -1.543 1.00 0.00 C ATOM 781 O PHE A 53 -1.909 9.219 -1.086 1.00 0.00 O ATOM 782 CB PHE A 53 -2.332 11.990 -2.913 1.00 0.00 C ATOM 783 CG PHE A 53 -3.419 11.111 -3.461 1.00 0.00 C ATOM 784 CD1 PHE A 53 -3.155 9.806 -3.829 1.00 0.00 C ATOM 785 CD2 PHE A 53 -4.712 11.584 -3.578 1.00 0.00 C ATOM 786 CE1 PHE A 53 -4.160 8.989 -4.306 1.00 0.00 C ATOM 787 CE2 PHE A 53 -5.721 10.776 -4.057 1.00 0.00 C ATOM 788 CZ PHE A 53 -5.445 9.476 -4.421 1.00 0.00 C ATOM 0 H PHE A 53 -0.721 13.326 -1.596 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.749 11.568 -0.844 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.683 13.022 -2.891 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.474 11.960 -3.585 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.150 9.420 -3.742 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.935 12.601 -3.290 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.940 7.970 -4.589 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.726 11.161 -4.147 1.00 0.00 H new ATOM 0 HZ PHE A 53 -6.233 8.840 -4.796 1.00 0.00 H new ATOM 798 N PHE A 54 -0.076 10.053 -2.100 1.00 0.00 N ATOM 799 CA PHE A 54 0.575 8.748 -2.214 1.00 0.00 C ATOM 800 C PHE A 54 1.085 8.249 -0.856 1.00 0.00 C ATOM 801 O PHE A 54 1.117 7.042 -0.608 1.00 0.00 O ATOM 802 CB PHE A 54 1.701 8.793 -3.267 1.00 0.00 C ATOM 803 CG PHE A 54 3.056 9.182 -2.749 1.00 0.00 C ATOM 804 CD1 PHE A 54 3.272 10.419 -2.182 1.00 0.00 C ATOM 805 CD2 PHE A 54 4.113 8.294 -2.831 1.00 0.00 C ATOM 806 CE1 PHE A 54 4.517 10.763 -1.702 1.00 0.00 C ATOM 807 CE2 PHE A 54 5.359 8.636 -2.353 1.00 0.00 C ATOM 808 CZ PHE A 54 5.559 9.871 -1.787 1.00 0.00 C ATOM 0 H PHE A 54 0.465 10.832 -2.475 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.170 8.028 -2.553 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.778 7.811 -3.733 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.415 9.496 -4.049 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.458 11.126 -2.113 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.960 7.321 -3.275 1.00 0.00 H new ATOM 0 HE1 PHE A 54 4.674 11.735 -1.258 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.177 7.934 -2.423 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.534 10.141 -1.409 1.00 0.00 H new ATOM 818 N ILE A 55 1.454 9.172 0.035 1.00 0.00 N ATOM 819 CA ILE A 55 1.919 8.788 1.371 1.00 0.00 C ATOM 820 C ILE A 55 0.755 8.236 2.185 1.00 0.00 C ATOM 821 O ILE A 55 0.796 7.107 2.674 1.00 0.00 O ATOM 822 CB ILE A 55 2.543 9.973 2.153 1.00 0.00 C ATOM 823 CG1 ILE A 55 3.789 10.506 1.450 1.00 0.00 C ATOM 824 CG2 ILE A 55 2.886 9.553 3.578 1.00 0.00 C ATOM 825 CD1 ILE A 55 4.934 9.514 1.405 1.00 0.00 C ATOM 0 H ILE A 55 1.441 10.177 -0.140 1.00 0.00 H new ATOM 0 HA ILE A 55 2.691 8.033 1.227 1.00 0.00 H new ATOM 0 HB ILE A 55 1.803 10.773 2.188 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.527 10.791 0.431 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.123 11.411 1.958 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.323 10.398 4.111 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.980 9.230 4.090 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.601 8.731 3.553 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.784 9.963 0.891 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.224 9.247 2.421 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.618 8.618 0.870 1.00 0.00 H new ATOM 837 N VAL A 56 -0.287 9.048 2.316 1.00 0.00 N ATOM 838 CA VAL A 56 -1.472 8.665 3.066 1.00 0.00 C ATOM 839 C VAL A 56 -2.145 7.442 2.452 1.00 0.00 C ATOM 840 O VAL A 56 -2.615 6.562 3.168 1.00 0.00 O ATOM 841 CB VAL A 56 -2.482 9.825 3.145 1.00 0.00 C ATOM 842 CG1 VAL A 56 -3.665 9.454 4.025 1.00 0.00 C ATOM 843 CG2 VAL A 56 -1.801 11.083 3.661 1.00 0.00 C ATOM 0 H VAL A 56 -0.333 9.982 1.909 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.144 8.415 4.075 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.859 10.022 2.141 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.364 10.289 4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.167 8.580 3.610 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.313 9.227 5.031 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.527 11.895 3.712 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.396 10.896 4.655 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.992 11.361 2.986 1.00 0.00 H new ATOM 853 N MET A 57 -2.183 7.380 1.124 1.00 0.00 N ATOM 854 CA MET A 57 -2.795 6.243 0.446 1.00 0.00 C ATOM 855 C MET A 57 -1.919 5.011 0.593 1.00 0.00 C ATOM 856 O MET A 57 -2.410 3.887 0.689 1.00 0.00 O ATOM 857 CB MET A 57 -3.020 6.544 -1.036 1.00 0.00 C ATOM 858 CG MET A 57 -3.693 5.409 -1.793 1.00 0.00 C ATOM 859 SD MET A 57 -5.294 4.959 -1.096 1.00 0.00 S ATOM 860 CE MET A 57 -5.805 3.660 -2.219 1.00 0.00 C ATOM 0 H MET A 57 -1.802 8.094 0.503 1.00 0.00 H new ATOM 0 HA MET A 57 -3.763 6.055 0.911 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.630 7.442 -1.127 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.060 6.762 -1.504 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.824 5.701 -2.835 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.040 4.536 -1.786 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.406 2.928 -1.679 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.396 4.090 -3.028 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.924 3.170 -2.634 1.00 0.00 H new ATOM 870 N GLY A 58 -0.615 5.239 0.606 1.00 0.00 N ATOM 871 CA GLY A 58 0.329 4.147 0.738 1.00 0.00 C ATOM 872 C GLY A 58 0.317 3.540 2.125 1.00 0.00 C ATOM 873 O GLY A 58 0.365 2.318 2.270 1.00 0.00 O ATOM 0 H GLY A 58 -0.191 6.164 0.527 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.094 3.376 0.005 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.332 4.508 0.511 1.00 0.00 H new ATOM 877 N LEU A 59 0.250 4.385 3.153 1.00 0.00 N ATOM 878 CA LEU A 59 0.226 3.893 4.518 1.00 0.00 C ATOM 879 C LEU A 59 -1.053 3.095 4.767 1.00 0.00 C ATOM 880 O LEU A 59 -1.066 2.168 5.576 1.00 0.00 O ATOM 881 CB LEU A 59 0.399 5.041 5.524 1.00 0.00 C ATOM 882 CG LEU A 59 -0.581 6.211 5.402 1.00 0.00 C ATOM 883 CD1 LEU A 59 -1.955 5.822 5.922 1.00 0.00 C ATOM 884 CD2 LEU A 59 -0.047 7.428 6.150 1.00 0.00 C ATOM 0 H LEU A 59 0.212 5.400 3.063 1.00 0.00 H new ATOM 0 HA LEU A 59 1.071 3.220 4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.314 4.629 6.530 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.411 5.432 5.424 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.681 6.468 4.347 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.634 6.669 5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.338 4.982 5.343 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.879 5.536 6.971 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.754 8.252 6.055 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.082 7.180 7.204 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.913 7.723 5.727 1.00 0.00 H new ATOM 896 N VAL A 60 -2.111 3.416 4.020 1.00 0.00 N ATOM 897 CA VAL A 60 -3.368 2.680 4.130 1.00 0.00 C ATOM 898 C VAL A 60 -3.245 1.361 3.375 1.00 0.00 C ATOM 899 O VAL A 60 -3.529 0.290 3.909 1.00 0.00 O ATOM 900 CB VAL A 60 -4.567 3.467 3.549 1.00 0.00 C ATOM 901 CG1 VAL A 60 -5.846 2.646 3.652 1.00 0.00 C ATOM 902 CG2 VAL A 60 -4.739 4.804 4.252 1.00 0.00 C ATOM 0 H VAL A 60 -2.122 4.175 3.338 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.555 2.515 5.191 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.360 3.662 2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.678 3.216 3.239 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.728 1.718 3.093 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.048 2.416 4.698 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.589 5.334 3.822 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.915 4.636 5.315 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.836 5.401 4.124 1.00 0.00 H new ATOM 912 N ASP A 61 -2.804 1.459 2.122 1.00 0.00 N ATOM 913 CA ASP A 61 -2.624 0.296 1.271 1.00 0.00 C ATOM 914 C ASP A 61 -1.468 -0.572 1.749 1.00 0.00 C ATOM 915 O ASP A 61 -1.318 -1.718 1.316 1.00 0.00 O ATOM 916 CB ASP A 61 -2.376 0.750 -0.165 1.00 0.00 C ATOM 917 CG ASP A 61 -3.602 1.388 -0.791 1.00 0.00 C ATOM 918 OD1 ASP A 61 -4.101 2.388 -0.238 1.00 0.00 O ATOM 919 OD2 ASP A 61 -4.062 0.885 -1.839 1.00 0.00 O ATOM 0 H ASP A 61 -2.564 2.344 1.675 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.532 -0.305 1.318 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.551 1.463 -0.180 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.069 -0.106 -0.766 1.00 0.00 H new ATOM 924 N ALA A 62 -0.657 -0.043 2.656 1.00 0.00 N ATOM 925 CA ALA A 62 0.454 -0.808 3.187 1.00 0.00 C ATOM 926 C ALA A 62 -0.074 -2.084 3.832 1.00 0.00 C ATOM 927 O ALA A 62 0.567 -3.130 3.784 1.00 0.00 O ATOM 928 CB ALA A 62 1.244 0.017 4.192 1.00 0.00 C ATOM 0 H ALA A 62 -0.748 0.900 3.033 1.00 0.00 H new ATOM 0 HA ALA A 62 1.128 -1.072 2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.073 -0.576 4.578 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.633 0.910 3.703 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.592 0.309 5.016 1.00 0.00 H new ATOM 934 N ILE A 63 -1.269 -1.989 4.413 1.00 0.00 N ATOM 935 CA ILE A 63 -1.896 -3.134 5.050 1.00 0.00 C ATOM 936 C ILE A 63 -2.126 -4.251 4.027 1.00 0.00 C ATOM 937 O ILE A 63 -1.517 -5.313 4.144 1.00 0.00 O ATOM 938 CB ILE A 63 -3.201 -2.741 5.783 1.00 0.00 C ATOM 939 CG1 ILE A 63 -2.887 -1.737 6.894 1.00 0.00 C ATOM 940 CG2 ILE A 63 -3.894 -3.967 6.360 1.00 0.00 C ATOM 941 CD1 ILE A 63 -4.113 -1.273 7.650 1.00 0.00 C ATOM 0 H ILE A 63 -1.818 -1.130 4.453 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.217 -3.512 5.814 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.878 -2.281 5.063 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.187 -2.190 7.596 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.388 -0.871 6.460 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.808 -3.662 6.870 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.141 -4.658 5.554 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.230 -4.460 7.070 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.817 -0.563 8.422 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.805 -0.791 6.960 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.601 -2.131 8.113 1.00 0.00 H new ATOM 953 N PRO A 64 -2.987 -4.062 2.993 1.00 0.00 N ATOM 954 CA PRO A 64 -3.190 -5.107 1.996 1.00 0.00 C ATOM 955 C PRO A 64 -1.871 -5.516 1.366 1.00 0.00 C ATOM 956 O PRO A 64 -1.711 -6.646 0.909 1.00 0.00 O ATOM 957 CB PRO A 64 -4.097 -4.467 0.942 1.00 0.00 C ATOM 958 CG PRO A 64 -4.742 -3.315 1.622 1.00 0.00 C ATOM 959 CD PRO A 64 -3.804 -2.862 2.707 1.00 0.00 C ATOM 0 HA PRO A 64 -3.622 -6.007 2.433 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.522 -4.140 0.076 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.841 -5.177 0.581 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.932 -2.507 0.915 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.705 -3.605 2.042 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.186 -2.027 2.378 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.347 -2.528 3.591 1.00 0.00 H new ATOM 967 N MET A 65 -0.924 -4.587 1.365 1.00 0.00 N ATOM 968 CA MET A 65 0.389 -4.847 0.812 1.00 0.00 C ATOM 969 C MET A 65 1.147 -5.802 1.722 1.00 0.00 C ATOM 970 O MET A 65 1.952 -6.609 1.264 1.00 0.00 O ATOM 971 CB MET A 65 1.154 -3.535 0.660 1.00 0.00 C ATOM 972 CG MET A 65 2.557 -3.702 0.116 1.00 0.00 C ATOM 973 SD MET A 65 2.592 -4.463 -1.519 1.00 0.00 S ATOM 974 CE MET A 65 4.356 -4.531 -1.822 1.00 0.00 C ATOM 0 H MET A 65 -1.046 -3.647 1.742 1.00 0.00 H new ATOM 0 HA MET A 65 0.285 -5.306 -0.171 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.594 -2.874 -0.002 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.208 -3.043 1.631 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.040 -2.726 0.067 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.139 -4.312 0.807 1.00 0.00 H new ATOM 0 HE1 MET A 65 4.540 -4.979 -2.799 1.00 0.00 H new ATOM 0 HE2 MET A 65 4.768 -3.522 -1.802 1.00 0.00 H new ATOM 0 HE3 MET A 65 4.835 -5.134 -1.050 1.00 0.00 H new ATOM 984 N ILE A 66 0.853 -5.720 3.017 1.00 0.00 N ATOM 985 CA ILE A 66 1.484 -6.593 3.998 1.00 0.00 C ATOM 986 C ILE A 66 0.853 -7.976 3.926 1.00 0.00 C ATOM 987 O ILE A 66 1.550 -8.989 3.923 1.00 0.00 O ATOM 988 CB ILE A 66 1.355 -6.021 5.434 1.00 0.00 C ATOM 989 CG1 ILE A 66 2.213 -4.763 5.577 1.00 0.00 C ATOM 990 CG2 ILE A 66 1.759 -7.048 6.485 1.00 0.00 C ATOM 991 CD1 ILE A 66 2.033 -4.058 6.903 1.00 0.00 C ATOM 0 H ILE A 66 0.183 -5.059 3.409 1.00 0.00 H new ATOM 0 HA ILE A 66 2.546 -6.661 3.764 1.00 0.00 H new ATOM 0 HB ILE A 66 0.308 -5.767 5.598 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.262 -5.033 5.457 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.968 -4.072 4.771 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.656 -6.612 7.479 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.115 -7.924 6.404 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.796 -7.344 6.325 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.671 -3.175 6.935 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.992 -3.757 7.017 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.306 -4.733 7.714 1.00 0.00 H new ATOM 1003 N ALA A 67 -0.472 -8.005 3.848 1.00 0.00 N ATOM 1004 CA ALA A 67 -1.199 -9.259 3.757 1.00 0.00 C ATOM 1005 C ALA A 67 -0.907 -9.943 2.431 1.00 0.00 C ATOM 1006 O ALA A 67 -0.407 -11.067 2.396 1.00 0.00 O ATOM 1007 CB ALA A 67 -2.692 -9.017 3.918 1.00 0.00 C ATOM 0 H ALA A 67 -1.062 -7.173 3.846 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.868 -9.915 4.563 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.224 -9.966 3.848 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.884 -8.564 4.891 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.039 -8.347 3.131 1.00 0.00 H new ATOM 1013 N VAL A 68 -1.203 -9.247 1.341 1.00 0.00 N ATOM 1014 CA VAL A 68 -0.956 -9.779 0.012 1.00 0.00 C ATOM 1015 C VAL A 68 0.534 -9.990 -0.200 1.00 0.00 C ATOM 1016 O VAL A 68 0.949 -10.983 -0.794 1.00 0.00 O ATOM 1017 CB VAL A 68 -1.505 -8.844 -1.085 1.00 0.00 C ATOM 1018 CG1 VAL A 68 -1.242 -9.420 -2.470 1.00 0.00 C ATOM 1019 CG2 VAL A 68 -2.993 -8.600 -0.878 1.00 0.00 C ATOM 0 H VAL A 68 -1.614 -8.314 1.353 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.477 -10.734 -0.061 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.985 -7.889 -1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.638 -8.743 -3.227 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.169 -9.540 -2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.731 -10.390 -2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.365 -7.938 -1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.527 -9.549 -0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.154 -8.137 0.096 1.00 0.00 H new ATOM 1029 N GLY A 69 1.337 -9.052 0.297 1.00 0.00 N ATOM 1030 CA GLY A 69 2.776 -9.163 0.155 1.00 0.00 C ATOM 1031 C GLY A 69 3.323 -10.360 0.905 1.00 0.00 C ATOM 1032 O GLY A 69 4.105 -11.135 0.359 1.00 0.00 O ATOM 0 H GLY A 69 1.017 -8.221 0.794 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.032 -9.247 -0.901 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.249 -8.254 0.526 1.00 0.00 H new ATOM 1036 N LEU A 70 2.901 -10.517 2.159 1.00 0.00 N ATOM 1037 CA LEU A 70 3.347 -11.639 2.976 1.00 0.00 C ATOM 1038 C LEU A 70 2.931 -12.945 2.320 1.00 0.00 C ATOM 1039 O LEU A 70 3.715 -13.889 2.234 1.00 0.00 O ATOM 1040 CB LEU A 70 2.750 -11.551 4.385 1.00 0.00 C ATOM 1041 CG LEU A 70 3.341 -12.519 5.419 1.00 0.00 C ATOM 1042 CD1 LEU A 70 3.072 -13.967 5.027 1.00 0.00 C ATOM 1043 CD2 LEU A 70 4.835 -12.279 5.587 1.00 0.00 C ATOM 0 H LEU A 70 2.254 -9.883 2.628 1.00 0.00 H new ATOM 0 HA LEU A 70 4.433 -11.603 3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.880 -10.533 4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.677 -11.731 4.317 1.00 0.00 H new ATOM 0 HG LEU A 70 2.852 -12.331 6.375 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.501 -14.632 5.776 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.997 -14.134 4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.526 -14.172 4.057 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.235 -12.975 6.324 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.338 -12.433 4.632 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.004 -11.257 5.925 1.00 0.00 H new ATOM 1055 N GLY A 71 1.687 -12.986 1.859 1.00 0.00 N ATOM 1056 CA GLY A 71 1.182 -14.181 1.212 1.00 0.00 C ATOM 1057 C GLY A 71 1.970 -14.533 -0.036 1.00 0.00 C ATOM 1058 O GLY A 71 2.422 -15.666 -0.197 1.00 0.00 O ATOM 0 H GLY A 71 1.021 -12.216 1.921 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.221 -15.016 1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.134 -14.035 0.949 1.00 0.00 H new ATOM 1062 N LEU A 72 2.133 -13.553 -0.920 1.00 0.00 N ATOM 1063 CA LEU A 72 2.869 -13.756 -2.160 1.00 0.00 C ATOM 1064 C LEU A 72 4.356 -13.948 -1.890 1.00 0.00 C ATOM 1065 O LEU A 72 5.057 -14.594 -2.668 1.00 0.00 O ATOM 1066 CB LEU A 72 2.649 -12.575 -3.108 1.00 0.00 C ATOM 1067 CG LEU A 72 3.111 -11.218 -2.585 1.00 0.00 C ATOM 1068 CD1 LEU A 72 4.625 -11.097 -2.655 1.00 0.00 C ATOM 1069 CD2 LEU A 72 2.440 -10.099 -3.365 1.00 0.00 C ATOM 0 H LEU A 72 1.764 -12.610 -0.799 1.00 0.00 H new ATOM 0 HA LEU A 72 2.491 -14.663 -2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.169 -12.781 -4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.586 -12.512 -3.342 1.00 0.00 H new ATOM 0 HG LEU A 72 2.819 -11.133 -1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.930 -10.121 -2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.081 -11.880 -2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.951 -11.203 -3.690 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.778 -9.136 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.702 -10.183 -4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.358 -10.175 -3.253 1.00 0.00 H new ATOM 1081 N TYR A 73 4.832 -13.398 -0.775 1.00 0.00 N ATOM 1082 CA TYR A 73 6.238 -13.523 -0.407 1.00 0.00 C ATOM 1083 C TYR A 73 6.630 -14.995 -0.376 1.00 0.00 C ATOM 1084 O TYR A 73 7.646 -15.396 -0.942 1.00 0.00 O ATOM 1085 CB TYR A 73 6.492 -12.871 0.956 1.00 0.00 C ATOM 1086 CG TYR A 73 7.958 -12.667 1.265 1.00 0.00 C ATOM 1087 CD1 TYR A 73 8.782 -13.739 1.574 1.00 0.00 C ATOM 1088 CD2 TYR A 73 8.519 -11.396 1.225 1.00 0.00 C ATOM 1089 CE1 TYR A 73 10.129 -13.553 1.835 1.00 0.00 C ATOM 1090 CE2 TYR A 73 9.863 -11.201 1.488 1.00 0.00 C ATOM 1091 CZ TYR A 73 10.663 -12.283 1.792 1.00 0.00 C ATOM 1092 OH TYR A 73 12.003 -12.097 2.053 1.00 0.00 O ATOM 0 H TYR A 73 4.267 -12.864 -0.114 1.00 0.00 H new ATOM 0 HA TYR A 73 6.849 -13.009 -1.150 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.985 -11.907 0.988 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.048 -13.491 1.735 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.366 -14.735 1.612 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.896 -10.547 0.985 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.758 -14.399 2.071 1.00 0.00 H new ATOM 0 HE2 TYR A 73 10.284 -10.207 1.456 1.00 0.00 H new ATOM 0 HH TYR A 73 12.221 -11.144 1.981 1.00 0.00 H new ATOM 1102 N VAL A 74 5.796 -15.797 0.274 1.00 0.00 N ATOM 1103 CA VAL A 74 6.021 -17.234 0.370 1.00 0.00 C ATOM 1104 C VAL A 74 5.345 -17.964 -0.788 1.00 0.00 C ATOM 1105 O VAL A 74 5.779 -19.036 -1.207 1.00 0.00 O ATOM 1106 CB VAL A 74 5.504 -17.801 1.709 1.00 0.00 C ATOM 1107 CG1 VAL A 74 3.997 -17.619 1.834 1.00 0.00 C ATOM 1108 CG2 VAL A 74 5.889 -19.265 1.851 1.00 0.00 C ATOM 0 H VAL A 74 4.952 -15.474 0.746 1.00 0.00 H new ATOM 0 HA VAL A 74 7.098 -17.396 0.320 1.00 0.00 H new ATOM 0 HB VAL A 74 5.974 -17.244 2.519 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.659 -18.027 2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.754 -16.558 1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.498 -18.142 1.018 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.517 -19.649 2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.453 -19.837 1.032 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.974 -19.360 1.822 1.00 0.00 H new ATOM 1118 N MET A 75 4.265 -17.387 -1.298 1.00 0.00 N ATOM 1119 CA MET A 75 3.534 -17.998 -2.394 1.00 0.00 C ATOM 1120 C MET A 75 4.177 -17.694 -3.740 1.00 0.00 C ATOM 1121 O MET A 75 4.822 -18.544 -4.342 1.00 0.00 O ATOM 1122 CB MET A 75 2.091 -17.504 -2.388 1.00 0.00 C ATOM 1123 CG MET A 75 1.268 -18.062 -1.243 1.00 0.00 C ATOM 1124 SD MET A 75 1.165 -19.864 -1.259 1.00 0.00 S ATOM 1125 CE MET A 75 0.283 -20.156 -2.792 1.00 0.00 C ATOM 0 H MET A 75 3.879 -16.501 -0.971 1.00 0.00 H new ATOM 0 HA MET A 75 3.557 -19.078 -2.250 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.088 -16.415 -2.331 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.618 -17.775 -3.332 1.00 0.00 H new ATOM 0 HG2 MET A 75 1.704 -17.737 -0.298 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.262 -17.646 -1.290 1.00 0.00 H new ATOM 0 HE1 MET A 75 -0.425 -20.973 -2.654 1.00 0.00 H new ATOM 0 HE2 MET A 75 -0.256 -19.253 -3.079 1.00 0.00 H new ATOM 0 HE3 MET A 75 0.993 -20.420 -3.576 1.00 0.00 H new ATOM 1135 N PHE A 76 3.995 -16.471 -4.207 1.00 0.00 N ATOM 1136 CA PHE A 76 4.540 -16.052 -5.489 1.00 0.00 C ATOM 1137 C PHE A 76 6.060 -16.196 -5.550 1.00 0.00 C ATOM 1138 O PHE A 76 6.623 -16.397 -6.624 1.00 0.00 O ATOM 1139 CB PHE A 76 4.143 -14.600 -5.762 1.00 0.00 C ATOM 1140 CG PHE A 76 2.668 -14.395 -6.031 1.00 0.00 C ATOM 1141 CD1 PHE A 76 1.794 -15.471 -6.131 1.00 0.00 C ATOM 1142 CD2 PHE A 76 2.161 -13.117 -6.195 1.00 0.00 C ATOM 1143 CE1 PHE A 76 0.452 -15.270 -6.387 1.00 0.00 C ATOM 1144 CE2 PHE A 76 0.819 -12.913 -6.453 1.00 0.00 C ATOM 1145 CZ PHE A 76 -0.035 -13.990 -6.549 1.00 0.00 C ATOM 0 H PHE A 76 3.471 -15.747 -3.716 1.00 0.00 H new ATOM 0 HA PHE A 76 4.124 -16.707 -6.255 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.432 -13.990 -4.906 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.710 -14.236 -6.619 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.169 -16.476 -6.007 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.824 -12.268 -6.120 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.216 -16.115 -6.460 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.440 -11.910 -6.579 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.084 -13.832 -6.751 1.00 0.00 H new ATOM 1155 N ALA A 77 6.724 -16.085 -4.404 1.00 0.00 N ATOM 1156 CA ALA A 77 8.175 -16.190 -4.363 1.00 0.00 C ATOM 1157 C ALA A 77 8.645 -17.588 -3.983 1.00 0.00 C ATOM 1158 O ALA A 77 9.434 -18.205 -4.698 1.00 0.00 O ATOM 1159 CB ALA A 77 8.749 -15.153 -3.407 1.00 0.00 C ATOM 0 H ALA A 77 6.283 -15.924 -3.499 1.00 0.00 H new ATOM 0 HA ALA A 77 8.544 -15.995 -5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.835 -15.241 -3.384 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.473 -14.154 -3.745 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.351 -15.321 -2.406 1.00 0.00 H new ATOM 1165 N VAL A 78 8.171 -18.074 -2.850 1.00 0.00 N ATOM 1166 CA VAL A 78 8.560 -19.392 -2.365 1.00 0.00 C ATOM 1167 C VAL A 78 7.661 -20.500 -2.920 1.00 0.00 C ATOM 1168 O VAL A 78 7.891 -21.679 -2.652 1.00 0.00 O ATOM 1169 CB VAL A 78 8.566 -19.454 -0.820 1.00 0.00 C ATOM 1170 CG1 VAL A 78 9.041 -20.815 -0.332 1.00 0.00 C ATOM 1171 CG2 VAL A 78 9.434 -18.344 -0.248 1.00 0.00 C ATOM 0 H VAL A 78 7.516 -17.578 -2.246 1.00 0.00 H new ATOM 0 HA VAL A 78 9.574 -19.560 -2.727 1.00 0.00 H new ATOM 0 HB VAL A 78 7.544 -19.310 -0.469 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.036 -20.833 0.758 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.375 -21.590 -0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 78 10.053 -20.998 -0.693 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.428 -18.401 0.840 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.455 -18.457 -0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.042 -17.377 -0.563 1.00 0.00 H new ATOM 1181 N ALA A 79 6.643 -20.130 -3.697 1.00 0.00 N ATOM 1182 CA ALA A 79 5.735 -21.120 -4.278 1.00 0.00 C ATOM 1183 C ALA A 79 5.106 -21.991 -3.197 1.00 0.00 C ATOM 1184 O ALA A 79 5.718 -22.951 -2.725 1.00 0.00 O ATOM 1185 CB ALA A 79 6.479 -21.984 -5.286 1.00 0.00 C ATOM 0 H ALA A 79 6.427 -19.162 -3.937 1.00 0.00 H new ATOM 0 HA ALA A 79 4.933 -20.587 -4.789 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.794 -22.717 -5.712 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.877 -21.354 -6.081 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.299 -22.500 -4.787 1.00 0.00 H new TER 1191 ALA A 79