USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 744 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.0372 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 10 SER OG : rot 48:sc= 0.393 USER MOD Single : A 12 HIS :FLIP no HD1:sc= -0.574 F(o=-2.4!,f=-0.57) USER MOD Single : A 14 SER OG : rot 180:sc=0.000567 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -160:sc= 0.00775 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN :FLIP amide:sc= 1.02 F(o=-0.11,f=1) USER MOD Single : A 54 CYS SG : rot 94:sc= -2.23 USER MOD Single : A 65 HIS : no HD1:sc= -2.7! C(o=-2.7!,f=-5.3!) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.131 F(o=-0.99,f=-0.13) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0336 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00494 USER MOD Single : A 76 HIS : no HD1:sc=-1.06e-05 X(o=-1.1e-05,f=-0.18) USER MOD Single : A 78 GLN : amide:sc= -0.0734 K(o=-0.073,f=-1.8!) USER MOD Single : A 89 GLN : amide:sc= -0.234 K(o=-0.23,f=-1.1) USER MOD Single : A 91 HIS : no HD1:sc= -3 K(o=-3,f=-5.4!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.194 -29.403 -0.021 1.00 0.00 N ATOM 2 CA GLY A 1 -19.132 -28.717 0.692 1.00 0.00 C ATOM 3 C GLY A 1 -19.663 -27.721 1.704 1.00 0.00 C ATOM 4 O GLY A 1 -20.748 -27.904 2.255 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.949 -30.408 -0.126 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.082 -29.317 0.513 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.313 -28.976 -0.962 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.508 -29.451 1.202 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.494 -28.198 -0.024 1.00 0.00 H new ATOM 8 N SER A 2 -18.894 -26.665 1.952 1.00 0.00 N ATOM 9 CA SER A 2 -19.290 -25.639 2.909 1.00 0.00 C ATOM 10 C SER A 2 -18.950 -24.247 2.385 1.00 0.00 C ATOM 11 O SER A 2 -18.186 -24.101 1.431 1.00 0.00 O ATOM 12 CB SER A 2 -18.600 -25.873 4.254 1.00 0.00 C ATOM 13 OG SER A 2 -17.196 -25.718 4.141 1.00 0.00 O ATOM 0 H SER A 2 -17.993 -26.498 1.503 1.00 0.00 H new ATOM 0 HA SER A 2 -20.369 -25.702 3.047 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.988 -25.171 4.992 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.830 -26.875 4.615 1.00 0.00 H new ATOM 0 HG SER A 2 -16.779 -25.871 5.014 1.00 0.00 H new ATOM 19 N SER A 3 -19.523 -23.228 3.016 1.00 0.00 N ATOM 20 CA SER A 3 -19.285 -21.847 2.613 1.00 0.00 C ATOM 21 C SER A 3 -17.846 -21.660 2.140 1.00 0.00 C ATOM 22 O SER A 3 -16.901 -22.069 2.813 1.00 0.00 O ATOM 23 CB SER A 3 -19.579 -20.896 3.774 1.00 0.00 C ATOM 24 OG SER A 3 -19.739 -19.565 3.315 1.00 0.00 O ATOM 0 H SER A 3 -20.156 -23.332 3.809 1.00 0.00 H new ATOM 0 HA SER A 3 -19.955 -21.616 1.785 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.483 -21.217 4.291 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.766 -20.939 4.498 1.00 0.00 H new ATOM 0 HG SER A 3 -19.928 -18.977 4.076 1.00 0.00 H new ATOM 30 N GLY A 4 -17.689 -21.038 0.975 1.00 0.00 N ATOM 31 CA GLY A 4 -16.364 -20.807 0.430 1.00 0.00 C ATOM 32 C GLY A 4 -15.688 -19.597 1.043 1.00 0.00 C ATOM 33 O GLY A 4 -16.342 -18.599 1.346 1.00 0.00 O ATOM 0 H GLY A 4 -18.456 -20.690 0.399 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.746 -21.689 0.599 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.437 -20.671 -0.649 1.00 0.00 H new ATOM 37 N SER A 5 -14.374 -19.684 1.227 1.00 0.00 N ATOM 38 CA SER A 5 -13.610 -18.589 1.813 1.00 0.00 C ATOM 39 C SER A 5 -13.637 -17.362 0.907 1.00 0.00 C ATOM 40 O SER A 5 -12.947 -17.315 -0.112 1.00 0.00 O ATOM 41 CB SER A 5 -12.164 -19.024 2.061 1.00 0.00 C ATOM 42 OG SER A 5 -12.060 -19.802 3.240 1.00 0.00 O ATOM 0 H SER A 5 -13.817 -20.501 0.979 1.00 0.00 H new ATOM 0 HA SER A 5 -14.071 -18.325 2.765 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.803 -19.600 1.209 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.526 -18.144 2.145 1.00 0.00 H new ATOM 0 HG SER A 5 -11.127 -20.069 3.375 1.00 0.00 H new ATOM 48 N SER A 6 -14.438 -16.372 1.286 1.00 0.00 N ATOM 49 CA SER A 6 -14.558 -15.145 0.506 1.00 0.00 C ATOM 50 C SER A 6 -13.188 -14.661 0.041 1.00 0.00 C ATOM 51 O SER A 6 -12.316 -14.357 0.854 1.00 0.00 O ATOM 52 CB SER A 6 -15.243 -14.056 1.333 1.00 0.00 C ATOM 53 OG SER A 6 -16.614 -14.354 1.533 1.00 0.00 O ATOM 0 H SER A 6 -15.014 -16.395 2.128 1.00 0.00 H new ATOM 0 HA SER A 6 -15.165 -15.360 -0.373 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.744 -13.959 2.297 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.146 -13.096 0.827 1.00 0.00 H new ATOM 0 HG SER A 6 -17.029 -13.644 2.066 1.00 0.00 H new ATOM 59 N GLY A 7 -13.007 -14.591 -1.274 1.00 0.00 N ATOM 60 CA GLY A 7 -11.742 -14.143 -1.826 1.00 0.00 C ATOM 61 C GLY A 7 -10.905 -15.288 -2.361 1.00 0.00 C ATOM 62 O GLY A 7 -11.433 -16.223 -2.961 1.00 0.00 O ATOM 0 H GLY A 7 -13.714 -14.837 -1.967 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.931 -13.430 -2.628 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.180 -13.615 -1.056 1.00 0.00 H new ATOM 66 N GLN A 8 -9.595 -15.213 -2.145 1.00 0.00 N ATOM 67 CA GLN A 8 -8.684 -16.250 -2.612 1.00 0.00 C ATOM 68 C GLN A 8 -7.541 -16.456 -1.623 1.00 0.00 C ATOM 69 O GLN A 8 -7.225 -15.568 -0.832 1.00 0.00 O ATOM 70 CB GLN A 8 -8.125 -15.886 -3.988 1.00 0.00 C ATOM 71 CG GLN A 8 -9.140 -16.018 -5.111 1.00 0.00 C ATOM 72 CD GLN A 8 -8.520 -15.834 -6.483 1.00 0.00 C ATOM 73 OE1 GLN A 8 -7.425 -16.328 -6.752 1.00 0.00 O ATOM 74 NE2 GLN A 8 -9.220 -15.122 -7.359 1.00 0.00 N ATOM 0 H GLN A 8 -9.142 -14.445 -1.650 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.244 -17.182 -2.691 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.756 -14.861 -3.961 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.270 -16.527 -4.205 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.610 -17.000 -5.058 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.929 -15.279 -4.971 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.124 -14.731 -7.093 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.854 -14.966 -8.298 1.00 0.00 H new ATOM 83 N ALA A 9 -6.924 -17.632 -1.675 1.00 0.00 N ATOM 84 CA ALA A 9 -5.815 -17.953 -0.785 1.00 0.00 C ATOM 85 C ALA A 9 -4.543 -17.227 -1.210 1.00 0.00 C ATOM 86 O ALA A 9 -3.816 -16.690 -0.375 1.00 0.00 O ATOM 87 CB ALA A 9 -5.582 -19.457 -0.754 1.00 0.00 C ATOM 0 H ALA A 9 -7.173 -18.378 -2.324 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.076 -17.616 0.218 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.751 -19.683 -0.086 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.482 -19.957 -0.396 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.346 -19.809 -1.758 1.00 0.00 H new ATOM 93 N SER A 10 -4.281 -17.216 -2.513 1.00 0.00 N ATOM 94 CA SER A 10 -3.093 -16.560 -3.048 1.00 0.00 C ATOM 95 C SER A 10 -3.478 -15.377 -3.932 1.00 0.00 C ATOM 96 O SER A 10 -3.612 -15.514 -5.147 1.00 0.00 O ATOM 97 CB SER A 10 -2.250 -17.556 -3.847 1.00 0.00 C ATOM 98 OG SER A 10 -3.034 -18.218 -4.824 1.00 0.00 O ATOM 0 H SER A 10 -4.875 -17.654 -3.218 1.00 0.00 H new ATOM 0 HA SER A 10 -2.504 -16.188 -2.209 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.425 -17.033 -4.331 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.810 -18.289 -3.171 1.00 0.00 H new ATOM 0 HG SER A 10 -3.564 -17.559 -5.320 1.00 0.00 H new ATOM 104 N GLY A 11 -3.654 -14.215 -3.311 1.00 0.00 N ATOM 105 CA GLY A 11 -4.022 -13.025 -4.055 1.00 0.00 C ATOM 106 C GLY A 11 -3.759 -11.750 -3.277 1.00 0.00 C ATOM 107 O GLY A 11 -3.530 -11.788 -2.068 1.00 0.00 O ATOM 0 H GLY A 11 -3.548 -14.077 -2.306 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.463 -12.998 -4.991 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.079 -13.076 -4.316 1.00 0.00 H new ATOM 111 N HIS A 12 -3.790 -10.618 -3.973 1.00 0.00 N ATOM 112 CA HIS A 12 -3.552 -9.325 -3.339 1.00 0.00 C ATOM 113 C HIS A 12 -4.555 -9.077 -2.217 1.00 0.00 C ATOM 114 O HIS A 12 -5.764 -9.031 -2.450 1.00 0.00 O ATOM 115 CB HIS A 12 -3.639 -8.203 -4.374 1.00 0.00 C ATOM 116 CG HIS A 12 -3.234 -8.627 -5.753 1.00 0.00 C ATOM 117 ND1 HIS A 12 -2.362 -9.576 -6.167 1.00 0.00 N flip ATOM 118 CD2 HIS A 12 -3.742 -8.050 -6.897 1.00 0.00 C flip ATOM 119 CE1 HIS A 12 -2.361 -9.556 -7.540 1.00 0.00 C flip ATOM 120 NE2 HIS A 12 -3.202 -8.627 -7.956 1.00 0.00 N flip ATOM 0 H HIS A 12 -3.977 -10.569 -4.974 1.00 0.00 H new ATOM 0 HA HIS A 12 -2.550 -9.337 -2.910 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.661 -7.826 -4.404 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.004 -7.376 -4.056 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -4.468 -7.251 -6.924 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -1.768 -10.196 -8.176 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -3.401 -8.394 -8.929 1.00 0.00 H new ATOM 129 N PHE A 13 -4.047 -8.919 -1.000 1.00 0.00 N ATOM 130 CA PHE A 13 -4.898 -8.677 0.159 1.00 0.00 C ATOM 131 C PHE A 13 -4.919 -7.195 0.519 1.00 0.00 C ATOM 132 O PHE A 13 -3.987 -6.455 0.204 1.00 0.00 O ATOM 133 CB PHE A 13 -4.412 -9.498 1.356 1.00 0.00 C ATOM 134 CG PHE A 13 -2.956 -9.299 1.667 1.00 0.00 C ATOM 135 CD1 PHE A 13 -1.980 -9.883 0.876 1.00 0.00 C ATOM 136 CD2 PHE A 13 -2.564 -8.530 2.750 1.00 0.00 C ATOM 137 CE1 PHE A 13 -0.639 -9.702 1.159 1.00 0.00 C ATOM 138 CE2 PHE A 13 -1.225 -8.345 3.038 1.00 0.00 C ATOM 139 CZ PHE A 13 -0.261 -8.933 2.243 1.00 0.00 C ATOM 0 H PHE A 13 -3.049 -8.954 -0.790 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.912 -8.985 -0.096 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.002 -9.232 2.233 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.592 -10.555 1.159 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.270 -10.487 0.029 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.313 -8.070 3.377 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.112 -10.161 0.534 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.933 -7.741 3.884 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.786 -8.792 2.468 1.00 0.00 H new ATOM 149 N SER A 14 -5.990 -6.767 1.181 1.00 0.00 N ATOM 150 CA SER A 14 -6.135 -5.373 1.581 1.00 0.00 C ATOM 151 C SER A 14 -5.828 -5.198 3.065 1.00 0.00 C ATOM 152 O SER A 14 -6.149 -6.060 3.883 1.00 0.00 O ATOM 153 CB SER A 14 -7.551 -4.879 1.280 1.00 0.00 C ATOM 154 OG SER A 14 -8.523 -5.772 1.795 1.00 0.00 O ATOM 0 H SER A 14 -6.770 -7.366 1.451 1.00 0.00 H new ATOM 0 HA SER A 14 -5.421 -4.781 1.008 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.695 -3.890 1.715 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.682 -4.776 0.203 1.00 0.00 H new ATOM 0 HG SER A 14 -9.420 -5.433 1.591 1.00 0.00 H new ATOM 160 N VAL A 15 -5.203 -4.075 3.405 1.00 0.00 N ATOM 161 CA VAL A 15 -4.853 -3.785 4.790 1.00 0.00 C ATOM 162 C VAL A 15 -5.619 -2.573 5.309 1.00 0.00 C ATOM 163 O VAL A 15 -5.449 -1.460 4.812 1.00 0.00 O ATOM 164 CB VAL A 15 -3.342 -3.528 4.945 1.00 0.00 C ATOM 165 CG1 VAL A 15 -3.003 -3.190 6.389 1.00 0.00 C ATOM 166 CG2 VAL A 15 -2.546 -4.734 4.470 1.00 0.00 C ATOM 0 H VAL A 15 -4.929 -3.352 2.740 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.127 -4.662 5.376 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.070 -2.674 4.324 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.931 -3.012 6.479 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.546 -2.294 6.690 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.288 -4.021 7.034 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.481 -4.536 4.586 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.819 -5.607 5.063 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.767 -4.925 3.420 1.00 0.00 H new ATOM 176 N GLU A 16 -6.463 -2.797 6.311 1.00 0.00 N ATOM 177 CA GLU A 16 -7.256 -1.723 6.897 1.00 0.00 C ATOM 178 C GLU A 16 -6.890 -1.514 8.364 1.00 0.00 C ATOM 179 O GLU A 16 -6.578 -2.467 9.079 1.00 0.00 O ATOM 180 CB GLU A 16 -8.749 -2.034 6.771 1.00 0.00 C ATOM 181 CG GLU A 16 -9.067 -3.519 6.818 1.00 0.00 C ATOM 182 CD GLU A 16 -10.443 -3.803 7.389 1.00 0.00 C ATOM 183 OE1 GLU A 16 -10.593 -3.761 8.628 1.00 0.00 O ATOM 184 OE2 GLU A 16 -11.371 -4.066 6.595 1.00 0.00 O ATOM 0 H GLU A 16 -6.615 -3.713 6.734 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.037 -0.805 6.352 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.286 -1.530 7.575 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.120 -1.621 5.833 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.003 -3.933 5.812 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.315 -4.029 7.421 1.00 0.00 H new ATOM 191 N LEU A 17 -6.931 -0.262 8.805 1.00 0.00 N ATOM 192 CA LEU A 17 -6.603 0.074 10.186 1.00 0.00 C ATOM 193 C LEU A 17 -7.442 1.250 10.674 1.00 0.00 C ATOM 194 O LEU A 17 -8.153 1.886 9.895 1.00 0.00 O ATOM 195 CB LEU A 17 -5.115 0.408 10.312 1.00 0.00 C ATOM 196 CG LEU A 17 -4.143 -0.665 9.820 1.00 0.00 C ATOM 197 CD1 LEU A 17 -2.838 -0.033 9.362 1.00 0.00 C ATOM 198 CD2 LEU A 17 -3.886 -1.693 10.912 1.00 0.00 C ATOM 0 H LEU A 17 -7.188 0.538 8.226 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.828 -0.793 10.807 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.921 1.327 9.759 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.897 0.615 11.360 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.594 -1.174 8.969 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.159 -0.812 9.015 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.037 0.664 8.548 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.381 0.503 10.194 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.192 -2.449 10.544 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.456 -1.199 11.783 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.826 -2.169 11.192 1.00 0.00 H new ATOM 210 N VAL A 18 -7.354 1.537 11.969 1.00 0.00 N ATOM 211 CA VAL A 18 -8.103 2.639 12.562 1.00 0.00 C ATOM 212 C VAL A 18 -7.165 3.681 13.161 1.00 0.00 C ATOM 213 O VAL A 18 -6.431 3.398 14.108 1.00 0.00 O ATOM 214 CB VAL A 18 -9.065 2.140 13.656 1.00 0.00 C ATOM 215 CG1 VAL A 18 -9.877 3.296 14.221 1.00 0.00 C ATOM 216 CG2 VAL A 18 -9.979 1.055 13.107 1.00 0.00 C ATOM 0 H VAL A 18 -6.771 1.021 12.628 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.683 3.095 11.760 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.475 1.711 14.466 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.551 2.924 14.993 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.204 4.036 14.653 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.459 3.757 13.422 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.652 0.714 13.894 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.563 1.456 12.278 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.378 0.217 12.755 1.00 0.00 H new ATOM 226 N ARG A 19 -7.196 4.887 12.604 1.00 0.00 N ATOM 227 CA ARG A 19 -6.348 5.971 13.083 1.00 0.00 C ATOM 228 C ARG A 19 -6.339 6.022 14.608 1.00 0.00 C ATOM 229 O ARG A 19 -7.375 6.231 15.238 1.00 0.00 O ATOM 230 CB ARG A 19 -6.829 7.310 12.520 1.00 0.00 C ATOM 231 CG ARG A 19 -6.035 8.504 13.025 1.00 0.00 C ATOM 232 CD ARG A 19 -6.060 9.652 12.028 1.00 0.00 C ATOM 233 NE ARG A 19 -5.507 10.879 12.593 1.00 0.00 N ATOM 234 CZ ARG A 19 -5.449 12.031 11.934 1.00 0.00 C ATOM 235 NH1 ARG A 19 -5.909 12.112 10.693 1.00 0.00 N ATOM 236 NH2 ARG A 19 -4.931 13.105 12.516 1.00 0.00 N ATOM 0 H ARG A 19 -7.799 5.138 11.821 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.331 5.783 12.737 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.770 7.279 11.432 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.879 7.447 12.779 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.446 8.839 13.977 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.004 8.204 13.211 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.492 9.374 11.140 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.086 9.831 11.707 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.145 10.850 13.546 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.308 11.289 10.242 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.863 12.998 10.189 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.577 13.047 13.471 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.887 13.989 12.009 1.00 0.00 H new ATOM 250 N GLY A 20 -5.162 5.827 15.195 1.00 0.00 N ATOM 251 CA GLY A 20 -5.041 5.854 16.641 1.00 0.00 C ATOM 252 C GLY A 20 -4.861 7.258 17.182 1.00 0.00 C ATOM 253 O GLY A 20 -5.833 7.994 17.353 1.00 0.00 O ATOM 0 H GLY A 20 -4.290 5.651 14.695 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.931 5.408 17.085 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.192 5.240 16.943 1.00 0.00 H new ATOM 257 N TYR A 21 -3.615 7.630 17.454 1.00 0.00 N ATOM 258 CA TYR A 21 -3.311 8.954 17.983 1.00 0.00 C ATOM 259 C TYR A 21 -2.541 9.786 16.962 1.00 0.00 C ATOM 260 O TYR A 21 -2.907 10.923 16.667 1.00 0.00 O ATOM 261 CB TYR A 21 -2.502 8.837 19.276 1.00 0.00 C ATOM 262 CG TYR A 21 -2.431 10.125 20.065 1.00 0.00 C ATOM 263 CD1 TYR A 21 -1.586 11.156 19.673 1.00 0.00 C ATOM 264 CD2 TYR A 21 -3.208 10.310 21.201 1.00 0.00 C ATOM 265 CE1 TYR A 21 -1.517 12.334 20.391 1.00 0.00 C ATOM 266 CE2 TYR A 21 -3.147 11.486 21.925 1.00 0.00 C ATOM 267 CZ TYR A 21 -2.299 12.494 21.516 1.00 0.00 C ATOM 268 OH TYR A 21 -2.234 13.667 22.234 1.00 0.00 O ATOM 0 H TYR A 21 -2.799 7.033 17.317 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.254 9.456 18.197 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.943 8.061 19.902 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.490 8.513 19.033 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.973 11.034 18.792 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.871 9.521 21.524 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.854 13.125 20.073 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.759 11.615 22.805 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.848 13.618 22.996 1.00 0.00 H new ATOM 278 N ALA A 22 -1.471 9.208 16.425 1.00 0.00 N ATOM 279 CA ALA A 22 -0.649 9.893 15.435 1.00 0.00 C ATOM 280 C ALA A 22 -0.534 9.072 14.155 1.00 0.00 C ATOM 281 O ALA A 22 0.427 8.327 13.968 1.00 0.00 O ATOM 282 CB ALA A 22 0.732 10.183 16.004 1.00 0.00 C ATOM 0 H ALA A 22 -1.153 8.267 16.659 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.133 10.838 15.188 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.335 10.695 15.254 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.636 10.816 16.886 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.216 9.246 16.281 1.00 0.00 H new ATOM 288 N GLY A 23 -1.521 9.214 13.275 1.00 0.00 N ATOM 289 CA GLY A 23 -1.511 8.478 12.024 1.00 0.00 C ATOM 290 C GLY A 23 -1.615 6.980 12.232 1.00 0.00 C ATOM 291 O GLY A 23 -2.281 6.519 13.159 1.00 0.00 O ATOM 0 H GLY A 23 -2.327 9.825 13.406 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.341 8.814 11.402 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.593 8.703 11.481 1.00 0.00 H new ATOM 295 N PHE A 24 -0.956 6.217 11.365 1.00 0.00 N ATOM 296 CA PHE A 24 -0.980 4.762 11.456 1.00 0.00 C ATOM 297 C PHE A 24 0.390 4.219 11.852 1.00 0.00 C ATOM 298 O PHE A 24 0.498 3.150 12.451 1.00 0.00 O ATOM 299 CB PHE A 24 -1.416 4.154 10.122 1.00 0.00 C ATOM 300 CG PHE A 24 -2.848 4.442 9.771 1.00 0.00 C ATOM 301 CD1 PHE A 24 -3.185 5.588 9.069 1.00 0.00 C ATOM 302 CD2 PHE A 24 -3.856 3.567 10.142 1.00 0.00 C ATOM 303 CE1 PHE A 24 -4.502 5.856 8.745 1.00 0.00 C ATOM 304 CE2 PHE A 24 -5.174 3.830 9.821 1.00 0.00 C ATOM 305 CZ PHE A 24 -5.497 4.976 9.121 1.00 0.00 C ATOM 0 H PHE A 24 -0.399 6.582 10.592 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.698 4.483 12.227 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.772 4.536 9.330 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.269 3.075 10.159 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.410 6.279 8.772 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.609 2.669 10.688 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.752 6.753 8.198 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.951 3.140 10.117 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.526 5.183 8.868 1.00 0.00 H new ATOM 315 N GLY A 25 1.437 4.966 11.511 1.00 0.00 N ATOM 316 CA GLY A 25 2.786 4.544 11.838 1.00 0.00 C ATOM 317 C GLY A 25 3.374 3.619 10.790 1.00 0.00 C ATOM 318 O GLY A 25 4.281 2.838 11.080 1.00 0.00 O ATOM 0 H GLY A 25 1.374 5.855 11.015 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.423 5.422 11.942 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.781 4.038 12.803 1.00 0.00 H new ATOM 322 N LEU A 26 2.855 3.704 9.570 1.00 0.00 N ATOM 323 CA LEU A 26 3.333 2.866 8.476 1.00 0.00 C ATOM 324 C LEU A 26 4.178 3.676 7.498 1.00 0.00 C ATOM 325 O LEU A 26 3.742 4.712 6.995 1.00 0.00 O ATOM 326 CB LEU A 26 2.151 2.230 7.741 1.00 0.00 C ATOM 327 CG LEU A 26 2.469 0.986 6.911 1.00 0.00 C ATOM 328 CD1 LEU A 26 3.096 -0.092 7.782 1.00 0.00 C ATOM 329 CD2 LEU A 26 1.211 0.462 6.233 1.00 0.00 C ATOM 0 H LEU A 26 2.104 4.344 9.314 1.00 0.00 H new ATOM 0 HA LEU A 26 3.956 2.079 8.900 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.390 1.967 8.476 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.712 2.980 7.082 1.00 0.00 H new ATOM 0 HG LEU A 26 3.187 1.262 6.138 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.315 -0.969 7.174 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.020 0.286 8.220 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.403 -0.366 8.577 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.456 -0.424 5.646 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.471 0.203 6.990 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.804 1.231 5.576 1.00 0.00 H new ATOM 341 N THR A 27 5.389 3.197 7.232 1.00 0.00 N ATOM 342 CA THR A 27 6.295 3.876 6.314 1.00 0.00 C ATOM 343 C THR A 27 6.691 2.964 5.158 1.00 0.00 C ATOM 344 O THR A 27 6.621 1.739 5.268 1.00 0.00 O ATOM 345 CB THR A 27 7.568 4.356 7.034 1.00 0.00 C ATOM 346 OG1 THR A 27 7.217 5.121 8.193 1.00 0.00 O ATOM 347 CG2 THR A 27 8.429 5.200 6.106 1.00 0.00 C ATOM 0 H THR A 27 5.765 2.341 7.640 1.00 0.00 H new ATOM 0 HA THR A 27 5.760 4.741 5.923 1.00 0.00 H new ATOM 0 HB THR A 27 8.139 3.479 7.337 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.032 5.421 8.646 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.323 5.528 6.637 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.719 4.607 5.239 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.863 6.071 5.776 1.00 0.00 H new ATOM 355 N LEU A 28 7.109 3.568 4.051 1.00 0.00 N ATOM 356 CA LEU A 28 7.518 2.810 2.874 1.00 0.00 C ATOM 357 C LEU A 28 8.916 3.220 2.421 1.00 0.00 C ATOM 358 O LEU A 28 9.149 4.372 2.057 1.00 0.00 O ATOM 359 CB LEU A 28 6.519 3.020 1.735 1.00 0.00 C ATOM 360 CG LEU A 28 5.147 2.369 1.917 1.00 0.00 C ATOM 361 CD1 LEU A 28 4.135 2.981 0.962 1.00 0.00 C ATOM 362 CD2 LEU A 28 5.239 0.864 1.709 1.00 0.00 C ATOM 0 H LEU A 28 7.174 4.580 3.944 1.00 0.00 H new ATOM 0 HA LEU A 28 7.538 1.754 3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.375 4.092 1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.961 2.637 0.815 1.00 0.00 H new ATOM 0 HG LEU A 28 4.810 2.554 2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.165 2.505 1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.048 4.049 1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.465 2.828 -0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.254 0.417 1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.598 0.657 0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.932 0.438 2.435 1.00 0.00 H new ATOM 374 N GLY A 29 9.843 2.267 2.444 1.00 0.00 N ATOM 375 CA GLY A 29 11.206 2.548 2.032 1.00 0.00 C ATOM 376 C GLY A 29 11.454 2.204 0.577 1.00 0.00 C ATOM 377 O GLY A 29 11.537 1.032 0.214 1.00 0.00 O ATOM 0 H GLY A 29 9.674 1.306 2.741 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.421 3.604 2.194 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.896 1.982 2.659 1.00 0.00 H new ATOM 381 N GLY A 30 11.570 3.230 -0.261 1.00 0.00 N ATOM 382 CA GLY A 30 11.807 3.010 -1.676 1.00 0.00 C ATOM 383 C GLY A 30 10.827 3.764 -2.552 1.00 0.00 C ATOM 384 O GLY A 30 10.604 4.959 -2.360 1.00 0.00 O ATOM 0 H GLY A 30 11.504 4.210 0.015 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.823 3.319 -1.923 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.736 1.944 -1.892 1.00 0.00 H new ATOM 388 N GLY A 31 10.241 3.065 -3.520 1.00 0.00 N ATOM 389 CA GLY A 31 9.288 3.694 -4.416 1.00 0.00 C ATOM 390 C GLY A 31 9.959 4.576 -5.449 1.00 0.00 C ATOM 391 O GLY A 31 11.171 4.496 -5.651 1.00 0.00 O ATOM 0 H GLY A 31 10.409 2.075 -3.699 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.707 2.923 -4.923 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.586 4.291 -3.834 1.00 0.00 H new ATOM 395 N ARG A 32 9.170 5.420 -6.107 1.00 0.00 N ATOM 396 CA ARG A 32 9.695 6.319 -7.128 1.00 0.00 C ATOM 397 C ARG A 32 10.691 7.304 -6.524 1.00 0.00 C ATOM 398 O ARG A 32 10.315 8.190 -5.756 1.00 0.00 O ATOM 399 CB ARG A 32 8.553 7.080 -7.803 1.00 0.00 C ATOM 400 CG ARG A 32 8.840 7.451 -9.249 1.00 0.00 C ATOM 401 CD ARG A 32 8.457 6.327 -10.199 1.00 0.00 C ATOM 402 NE ARG A 32 8.833 6.625 -11.579 1.00 0.00 N ATOM 403 CZ ARG A 32 8.880 5.711 -12.541 1.00 0.00 C ATOM 404 NH1 ARG A 32 8.576 4.448 -12.276 1.00 0.00 N ATOM 405 NH2 ARG A 32 9.231 6.059 -13.773 1.00 0.00 N ATOM 0 H ARG A 32 8.165 5.500 -5.951 1.00 0.00 H new ATOM 0 HA ARG A 32 10.213 5.718 -7.875 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.650 6.471 -7.765 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.349 7.989 -7.237 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.288 8.354 -9.511 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.899 7.681 -9.364 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.942 5.404 -9.882 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.382 6.157 -10.145 1.00 0.00 H new ATOM 0 HE ARG A 32 9.072 7.588 -11.816 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.305 4.176 -11.331 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.613 3.748 -13.017 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.465 7.030 -13.982 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.267 5.356 -14.511 1.00 0.00 H new ATOM 419 N ASP A 33 11.962 7.144 -6.877 1.00 0.00 N ATOM 420 CA ASP A 33 13.012 8.020 -6.371 1.00 0.00 C ATOM 421 C ASP A 33 13.525 8.945 -7.470 1.00 0.00 C ATOM 422 O ASP A 33 13.447 8.621 -8.655 1.00 0.00 O ATOM 423 CB ASP A 33 14.166 7.193 -5.803 1.00 0.00 C ATOM 424 CG ASP A 33 15.014 7.978 -4.822 1.00 0.00 C ATOM 425 OD1 ASP A 33 14.448 8.805 -4.077 1.00 0.00 O ATOM 426 OD2 ASP A 33 16.244 7.766 -4.800 1.00 0.00 O ATOM 0 H ASP A 33 12.290 6.416 -7.512 1.00 0.00 H new ATOM 0 HA ASP A 33 12.588 8.632 -5.575 1.00 0.00 H new ATOM 0 HB2 ASP A 33 13.766 6.309 -5.306 1.00 0.00 H new ATOM 0 HB3 ASP A 33 14.794 6.841 -6.621 1.00 0.00 H new ATOM 431 N VAL A 34 14.050 10.099 -7.069 1.00 0.00 N ATOM 432 CA VAL A 34 14.577 11.071 -8.020 1.00 0.00 C ATOM 433 C VAL A 34 15.861 10.566 -8.667 1.00 0.00 C ATOM 434 O VAL A 34 16.370 11.168 -9.612 1.00 0.00 O ATOM 435 CB VAL A 34 14.855 12.425 -7.341 1.00 0.00 C ATOM 436 CG1 VAL A 34 13.580 13.251 -7.255 1.00 0.00 C ATOM 437 CG2 VAL A 34 15.459 12.215 -5.961 1.00 0.00 C ATOM 0 H VAL A 34 14.122 10.383 -6.092 1.00 0.00 H new ATOM 0 HA VAL A 34 13.816 11.207 -8.789 1.00 0.00 H new ATOM 0 HB VAL A 34 15.575 12.975 -7.947 1.00 0.00 H new ATOM 0 HG11 VAL A 34 13.796 14.204 -6.772 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.195 13.431 -8.259 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.835 12.710 -6.672 1.00 0.00 H new ATOM 0 HG21 VAL A 34 15.649 13.182 -5.496 1.00 0.00 H new ATOM 0 HG22 VAL A 34 14.765 11.645 -5.343 1.00 0.00 H new ATOM 0 HG23 VAL A 34 16.396 11.667 -6.054 1.00 0.00 H new ATOM 447 N ALA A 35 16.380 9.455 -8.153 1.00 0.00 N ATOM 448 CA ALA A 35 17.604 8.867 -8.683 1.00 0.00 C ATOM 449 C ALA A 35 17.333 7.498 -9.299 1.00 0.00 C ATOM 450 O ALA A 35 18.120 7.003 -10.105 1.00 0.00 O ATOM 451 CB ALA A 35 18.654 8.758 -7.588 1.00 0.00 C ATOM 0 H ALA A 35 15.971 8.944 -7.370 1.00 0.00 H new ATOM 0 HA ALA A 35 17.982 9.521 -9.469 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.563 8.317 -7.998 1.00 0.00 H new ATOM 0 HB2 ALA A 35 18.877 9.751 -7.197 1.00 0.00 H new ATOM 0 HB3 ALA A 35 18.276 8.128 -6.783 1.00 0.00 H new ATOM 457 N GLY A 36 16.216 6.891 -8.912 1.00 0.00 N ATOM 458 CA GLY A 36 15.863 5.584 -9.435 1.00 0.00 C ATOM 459 C GLY A 36 14.437 5.192 -9.101 1.00 0.00 C ATOM 460 O GLY A 36 13.677 5.993 -8.557 1.00 0.00 O ATOM 0 H GLY A 36 15.549 7.281 -8.246 1.00 0.00 H new ATOM 0 HA2 GLY A 36 15.993 5.582 -10.517 1.00 0.00 H new ATOM 0 HA3 GLY A 36 16.546 4.837 -9.030 1.00 0.00 H new ATOM 464 N ASP A 37 14.073 3.957 -9.429 1.00 0.00 N ATOM 465 CA ASP A 37 12.728 3.460 -9.161 1.00 0.00 C ATOM 466 C ASP A 37 12.779 2.144 -8.391 1.00 0.00 C ATOM 467 O ASP A 37 13.084 1.093 -8.956 1.00 0.00 O ATOM 468 CB ASP A 37 11.961 3.270 -10.470 1.00 0.00 C ATOM 469 CG ASP A 37 12.821 2.665 -11.562 1.00 0.00 C ATOM 470 OD1 ASP A 37 13.858 2.054 -11.230 1.00 0.00 O ATOM 471 OD2 ASP A 37 12.458 2.804 -12.749 1.00 0.00 O ATOM 0 H ASP A 37 14.690 3.282 -9.881 1.00 0.00 H new ATOM 0 HA ASP A 37 12.209 4.198 -8.550 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.099 2.627 -10.293 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.577 4.233 -10.806 1.00 0.00 H new ATOM 476 N THR A 38 12.478 2.208 -7.098 1.00 0.00 N ATOM 477 CA THR A 38 12.492 1.023 -6.250 1.00 0.00 C ATOM 478 C THR A 38 11.075 0.569 -5.918 1.00 0.00 C ATOM 479 O THR A 38 10.138 1.366 -5.862 1.00 0.00 O ATOM 480 CB THR A 38 13.258 1.279 -4.938 1.00 0.00 C ATOM 481 OG1 THR A 38 13.042 2.625 -4.500 1.00 0.00 O ATOM 482 CG2 THR A 38 14.747 1.034 -5.125 1.00 0.00 C ATOM 0 H THR A 38 12.221 3.069 -6.615 1.00 0.00 H new ATOM 0 HA THR A 38 13.000 0.239 -6.811 1.00 0.00 H new ATOM 0 HB THR A 38 12.884 0.587 -4.183 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.751 2.883 -3.874 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.267 1.221 -4.186 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.910 0.001 -5.431 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.132 1.705 -5.893 1.00 0.00 H new ATOM 490 N PRO A 39 10.911 -0.743 -5.690 1.00 0.00 N ATOM 491 CA PRO A 39 9.611 -1.333 -5.357 1.00 0.00 C ATOM 492 C PRO A 39 9.131 -0.932 -3.967 1.00 0.00 C ATOM 493 O PRO A 39 9.777 -1.238 -2.963 1.00 0.00 O ATOM 494 CB PRO A 39 9.879 -2.839 -5.417 1.00 0.00 C ATOM 495 CG PRO A 39 11.338 -2.975 -5.149 1.00 0.00 C ATOM 496 CD PRO A 39 11.983 -1.751 -5.739 1.00 0.00 C ATOM 0 HA PRO A 39 8.826 -0.999 -6.035 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.288 -3.376 -4.675 1.00 0.00 H new ATOM 0 HB3 PRO A 39 9.616 -3.249 -6.392 1.00 0.00 H new ATOM 0 HG2 PRO A 39 11.534 -3.042 -4.079 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.735 -3.883 -5.603 1.00 0.00 H new ATOM 0 HD2 PRO A 39 12.854 -1.439 -5.163 1.00 0.00 H new ATOM 0 HD3 PRO A 39 12.322 -1.928 -6.760 1.00 0.00 H new ATOM 504 N LEU A 40 7.995 -0.245 -3.913 1.00 0.00 N ATOM 505 CA LEU A 40 7.428 0.198 -2.644 1.00 0.00 C ATOM 506 C LEU A 40 7.159 -0.989 -1.724 1.00 0.00 C ATOM 507 O LEU A 40 6.536 -1.971 -2.128 1.00 0.00 O ATOM 508 CB LEU A 40 6.132 0.975 -2.886 1.00 0.00 C ATOM 509 CG LEU A 40 6.287 2.475 -3.140 1.00 0.00 C ATOM 510 CD1 LEU A 40 4.972 3.074 -3.615 1.00 0.00 C ATOM 511 CD2 LEU A 40 6.774 3.181 -1.884 1.00 0.00 C ATOM 0 H LEU A 40 7.448 0.017 -4.733 1.00 0.00 H new ATOM 0 HA LEU A 40 8.152 0.853 -2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.621 0.533 -3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.483 0.838 -2.021 1.00 0.00 H new ATOM 0 HG LEU A 40 7.031 2.617 -3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.101 4.142 -3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.664 2.588 -4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.207 2.921 -2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.879 4.247 -2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.054 3.031 -1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.739 2.771 -1.587 1.00 0.00 H new ATOM 523 N ALA A 41 7.630 -0.889 -0.486 1.00 0.00 N ATOM 524 CA ALA A 41 7.436 -1.952 0.493 1.00 0.00 C ATOM 525 C ALA A 41 7.620 -1.430 1.914 1.00 0.00 C ATOM 526 O ALA A 41 8.416 -0.523 2.155 1.00 0.00 O ATOM 527 CB ALA A 41 8.398 -3.100 0.222 1.00 0.00 C ATOM 0 H ALA A 41 8.149 -0.083 -0.137 1.00 0.00 H new ATOM 0 HA ALA A 41 6.414 -2.318 0.398 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.243 -3.887 0.960 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.217 -3.498 -0.776 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.424 -2.738 0.288 1.00 0.00 H new ATOM 533 N VAL A 42 6.877 -2.009 2.852 1.00 0.00 N ATOM 534 CA VAL A 42 6.958 -1.602 4.250 1.00 0.00 C ATOM 535 C VAL A 42 8.409 -1.477 4.703 1.00 0.00 C ATOM 536 O VAL A 42 9.193 -2.417 4.573 1.00 0.00 O ATOM 537 CB VAL A 42 6.230 -2.601 5.168 1.00 0.00 C ATOM 538 CG1 VAL A 42 6.409 -2.213 6.628 1.00 0.00 C ATOM 539 CG2 VAL A 42 4.754 -2.679 4.806 1.00 0.00 C ATOM 0 H VAL A 42 6.213 -2.761 2.669 1.00 0.00 H new ATOM 0 HA VAL A 42 6.472 -0.629 4.325 1.00 0.00 H new ATOM 0 HB VAL A 42 6.669 -3.588 5.023 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.888 -2.930 7.262 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.470 -2.213 6.877 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.998 -1.217 6.793 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.255 -3.390 5.465 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.299 -1.695 4.922 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.650 -3.008 3.772 1.00 0.00 H new ATOM 549 N ARG A 43 8.758 -0.310 5.235 1.00 0.00 N ATOM 550 CA ARG A 43 10.115 -0.062 5.707 1.00 0.00 C ATOM 551 C ARG A 43 10.192 -0.176 7.227 1.00 0.00 C ATOM 552 O ARG A 43 10.836 -1.079 7.760 1.00 0.00 O ATOM 553 CB ARG A 43 10.585 1.325 5.265 1.00 0.00 C ATOM 554 CG ARG A 43 11.793 1.833 6.036 1.00 0.00 C ATOM 555 CD ARG A 43 12.832 0.740 6.226 1.00 0.00 C ATOM 556 NE ARG A 43 14.167 1.287 6.452 1.00 0.00 N ATOM 557 CZ ARG A 43 14.893 1.869 5.504 1.00 0.00 C ATOM 558 NH1 ARG A 43 14.416 1.978 4.272 1.00 0.00 N ATOM 559 NH2 ARG A 43 16.100 2.343 5.788 1.00 0.00 N ATOM 0 H ARG A 43 8.120 0.478 5.350 1.00 0.00 H new ATOM 0 HA ARG A 43 10.769 -0.817 5.270 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.829 1.295 4.203 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.765 2.033 5.384 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.240 2.672 5.503 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.474 2.207 7.009 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.549 0.114 7.072 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.848 0.098 5.345 1.00 0.00 H new ATOM 0 HE ARG A 43 14.564 1.218 7.389 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.489 1.614 4.050 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.976 2.425 3.546 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.471 2.260 6.735 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.657 2.790 5.059 1.00 0.00 H new ATOM 573 N GLY A 44 9.530 0.746 7.919 1.00 0.00 N ATOM 574 CA GLY A 44 9.536 0.731 9.370 1.00 0.00 C ATOM 575 C GLY A 44 8.146 0.579 9.955 1.00 0.00 C ATOM 576 O GLY A 44 7.160 1.001 9.348 1.00 0.00 O ATOM 0 H GLY A 44 8.990 1.503 7.501 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.165 -0.088 9.719 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.982 1.655 9.738 1.00 0.00 H new ATOM 580 N LEU A 45 8.065 -0.025 11.134 1.00 0.00 N ATOM 581 CA LEU A 45 6.785 -0.234 11.801 1.00 0.00 C ATOM 582 C LEU A 45 6.719 0.545 13.111 1.00 0.00 C ATOM 583 O LEU A 45 7.319 0.150 14.112 1.00 0.00 O ATOM 584 CB LEU A 45 6.563 -1.724 12.069 1.00 0.00 C ATOM 585 CG LEU A 45 5.954 -2.529 10.921 1.00 0.00 C ATOM 586 CD1 LEU A 45 6.065 -4.020 11.197 1.00 0.00 C ATOM 587 CD2 LEU A 45 4.501 -2.132 10.703 1.00 0.00 C ATOM 0 H LEU A 45 8.871 -0.379 11.649 1.00 0.00 H new ATOM 0 HA LEU A 45 5.997 0.132 11.142 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.521 -2.172 12.332 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.915 -1.823 12.940 1.00 0.00 H new ATOM 0 HG LEU A 45 6.511 -2.306 10.011 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.626 -4.577 10.369 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.115 -4.293 11.302 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.533 -4.260 12.118 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.084 -2.715 9.882 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.931 -2.325 11.612 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.446 -1.071 10.459 1.00 0.00 H new ATOM 599 N LEU A 46 5.986 1.653 13.098 1.00 0.00 N ATOM 600 CA LEU A 46 5.839 2.487 14.286 1.00 0.00 C ATOM 601 C LEU A 46 5.526 1.637 15.513 1.00 0.00 C ATOM 602 O LEU A 46 4.638 0.786 15.482 1.00 0.00 O ATOM 603 CB LEU A 46 4.734 3.523 14.073 1.00 0.00 C ATOM 604 CG LEU A 46 4.798 4.766 14.961 1.00 0.00 C ATOM 605 CD1 LEU A 46 5.858 5.730 14.453 1.00 0.00 C ATOM 606 CD2 LEU A 46 3.439 5.448 15.023 1.00 0.00 C ATOM 0 H LEU A 46 5.484 1.995 12.278 1.00 0.00 H new ATOM 0 HA LEU A 46 6.784 3.003 14.456 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.760 3.844 13.032 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.772 3.036 14.233 1.00 0.00 H new ATOM 0 HG LEU A 46 5.072 4.455 15.969 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.889 6.609 15.097 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.831 5.239 14.462 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.615 6.035 13.435 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.504 6.331 15.659 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.135 5.746 14.019 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.704 4.757 15.435 1.00 0.00 H new ATOM 618 N LYS A 47 6.261 1.875 16.594 1.00 0.00 N ATOM 619 CA LYS A 47 6.060 1.135 17.835 1.00 0.00 C ATOM 620 C LYS A 47 4.710 1.474 18.458 1.00 0.00 C ATOM 621 O LYS A 47 4.187 2.573 18.270 1.00 0.00 O ATOM 622 CB LYS A 47 7.184 1.446 18.826 1.00 0.00 C ATOM 623 CG LYS A 47 6.952 0.866 20.210 1.00 0.00 C ATOM 624 CD LYS A 47 6.988 -0.653 20.191 1.00 0.00 C ATOM 625 CE LYS A 47 6.382 -1.241 21.456 1.00 0.00 C ATOM 626 NZ LYS A 47 6.137 -2.704 21.327 1.00 0.00 N ATOM 0 H LYS A 47 7.002 2.575 16.636 1.00 0.00 H new ATOM 0 HA LYS A 47 6.075 0.071 17.601 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.123 1.058 18.431 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.296 2.527 18.908 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.713 1.240 20.895 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.988 1.203 20.590 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.444 -1.020 19.321 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.019 -0.992 20.088 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.050 -1.058 22.298 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.443 -0.734 21.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.724 -3.066 22.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.479 -2.878 20.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.037 -3.192 21.140 1.00 0.00 H new ATOM 640 N ASP A 48 4.152 0.525 19.202 1.00 0.00 N ATOM 641 CA ASP A 48 2.864 0.725 19.856 1.00 0.00 C ATOM 642 C ASP A 48 1.872 1.394 18.910 1.00 0.00 C ATOM 643 O ASP A 48 1.075 2.235 19.324 1.00 0.00 O ATOM 644 CB ASP A 48 3.035 1.570 21.119 1.00 0.00 C ATOM 645 CG ASP A 48 3.242 3.040 20.808 1.00 0.00 C ATOM 646 OD1 ASP A 48 4.395 3.429 20.526 1.00 0.00 O ATOM 647 OD2 ASP A 48 2.253 3.801 20.847 1.00 0.00 O ATOM 0 H ASP A 48 4.571 -0.390 19.367 1.00 0.00 H new ATOM 0 HA ASP A 48 2.470 -0.252 20.134 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.154 1.456 21.751 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.887 1.199 21.689 1.00 0.00 H new ATOM 652 N GLY A 49 1.929 1.017 17.636 1.00 0.00 N ATOM 653 CA GLY A 49 1.032 1.592 16.651 1.00 0.00 C ATOM 654 C GLY A 49 -0.028 0.611 16.190 1.00 0.00 C ATOM 655 O GLY A 49 0.047 -0.588 16.459 1.00 0.00 O ATOM 0 H GLY A 49 2.581 0.323 17.269 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.548 2.472 17.074 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.610 1.929 15.790 1.00 0.00 H new ATOM 659 N PRO A 50 -1.043 1.122 15.478 1.00 0.00 N ATOM 660 CA PRO A 50 -2.143 0.300 14.964 1.00 0.00 C ATOM 661 C PRO A 50 -1.696 -0.630 13.842 1.00 0.00 C ATOM 662 O PRO A 50 -2.240 -1.720 13.672 1.00 0.00 O ATOM 663 CB PRO A 50 -3.142 1.333 14.437 1.00 0.00 C ATOM 664 CG PRO A 50 -2.315 2.530 14.115 1.00 0.00 C ATOM 665 CD PRO A 50 -1.196 2.542 15.120 1.00 0.00 C ATOM 0 HA PRO A 50 -2.554 -0.357 15.731 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.665 0.964 13.555 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.902 1.566 15.183 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.926 2.474 13.098 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.907 3.443 14.180 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.279 2.950 14.695 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.443 3.151 15.989 1.00 0.00 H new ATOM 673 N ALA A 51 -0.700 -0.192 13.078 1.00 0.00 N ATOM 674 CA ALA A 51 -0.179 -0.987 11.973 1.00 0.00 C ATOM 675 C ALA A 51 0.706 -2.120 12.481 1.00 0.00 C ATOM 676 O ALA A 51 0.644 -3.241 11.977 1.00 0.00 O ATOM 677 CB ALA A 51 0.597 -0.103 11.007 1.00 0.00 C ATOM 0 H ALA A 51 -0.238 0.709 13.204 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.025 -1.429 11.446 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.981 -0.710 10.187 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.063 0.669 10.610 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.430 0.366 11.532 1.00 0.00 H new ATOM 683 N GLN A 52 1.528 -1.820 13.482 1.00 0.00 N ATOM 684 CA GLN A 52 2.425 -2.815 14.057 1.00 0.00 C ATOM 685 C GLN A 52 1.669 -3.760 14.984 1.00 0.00 C ATOM 686 O GLN A 52 1.837 -4.977 14.918 1.00 0.00 O ATOM 687 CB GLN A 52 3.558 -2.128 14.822 1.00 0.00 C ATOM 688 CG GLN A 52 4.367 -3.077 15.692 1.00 0.00 C ATOM 689 CD GLN A 52 5.131 -4.105 14.881 1.00 0.00 C ATOM 690 OE1 GLN A 52 6.402 -3.826 14.617 1.00 0.00 O flip ATOM 691 NE2 GLN A 52 4.584 -5.139 14.495 1.00 0.00 N flip ATOM 0 H GLN A 52 1.591 -0.897 13.911 1.00 0.00 H new ATOM 0 HA GLN A 52 2.849 -3.400 13.241 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.225 -1.644 14.109 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.137 -1.342 15.449 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.069 -2.501 16.295 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.698 -3.589 16.383 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.605 -5.313 14.721 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.110 -5.821 13.949 1.00 0.00 H new ATOM 700 N ARG A 53 0.834 -3.190 15.848 1.00 0.00 N ATOM 701 CA ARG A 53 0.053 -3.982 16.790 1.00 0.00 C ATOM 702 C ARG A 53 -0.807 -5.008 16.057 1.00 0.00 C ATOM 703 O ARG A 53 -0.917 -6.158 16.483 1.00 0.00 O ATOM 704 CB ARG A 53 -0.835 -3.072 17.641 1.00 0.00 C ATOM 705 CG ARG A 53 -0.066 -2.262 18.672 1.00 0.00 C ATOM 706 CD ARG A 53 -0.942 -1.194 19.308 1.00 0.00 C ATOM 707 NE ARG A 53 -0.473 -0.823 20.640 1.00 0.00 N ATOM 708 CZ ARG A 53 -0.574 -1.616 21.701 1.00 0.00 C ATOM 709 NH1 ARG A 53 -1.123 -2.817 21.586 1.00 0.00 N ATOM 710 NH2 ARG A 53 -0.124 -1.207 22.881 1.00 0.00 N ATOM 0 H ARG A 53 0.682 -2.184 15.915 1.00 0.00 H new ATOM 0 HA ARG A 53 0.747 -4.514 17.441 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.376 -2.390 16.985 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.581 -3.681 18.152 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.318 -2.927 19.446 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.796 -1.792 18.198 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.957 -0.310 18.670 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.967 -1.558 19.373 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.045 0.095 20.762 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.469 -3.135 20.681 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.199 -3.423 22.403 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.299 -0.284 22.973 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.202 -1.816 23.695 1.00 0.00 H new ATOM 724 N CYS A 54 -1.414 -4.583 14.954 1.00 0.00 N ATOM 725 CA CYS A 54 -2.265 -5.463 14.162 1.00 0.00 C ATOM 726 C CYS A 54 -1.513 -6.729 13.761 1.00 0.00 C ATOM 727 O CYS A 54 -2.092 -7.812 13.695 1.00 0.00 O ATOM 728 CB CYS A 54 -2.766 -4.735 12.914 1.00 0.00 C ATOM 729 SG CYS A 54 -4.286 -3.792 13.170 1.00 0.00 S ATOM 0 H CYS A 54 -1.332 -3.634 14.588 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.121 -5.749 14.774 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.986 -4.059 12.563 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.933 -5.466 12.123 1.00 0.00 H new ATOM 0 HG CYS A 54 -3.989 -2.560 13.459 1.00 0.00 H new ATOM 735 N GLY A 55 -0.220 -6.582 13.491 1.00 0.00 N ATOM 736 CA GLY A 55 0.589 -7.721 13.097 1.00 0.00 C ATOM 737 C GLY A 55 0.128 -8.336 11.791 1.00 0.00 C ATOM 738 O GLY A 55 0.039 -9.558 11.670 1.00 0.00 O ATOM 0 H GLY A 55 0.282 -5.695 13.538 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.629 -7.408 13.001 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.555 -8.476 13.882 1.00 0.00 H new ATOM 742 N ARG A 56 -0.169 -7.489 10.812 1.00 0.00 N ATOM 743 CA ARG A 56 -0.628 -7.957 9.509 1.00 0.00 C ATOM 744 C ARG A 56 0.455 -7.766 8.451 1.00 0.00 C ATOM 745 O ARG A 56 0.676 -8.637 7.609 1.00 0.00 O ATOM 746 CB ARG A 56 -1.898 -7.212 9.094 1.00 0.00 C ATOM 747 CG ARG A 56 -3.127 -7.611 9.895 1.00 0.00 C ATOM 748 CD ARG A 56 -4.405 -7.393 9.100 1.00 0.00 C ATOM 749 NE ARG A 56 -4.690 -8.511 8.204 1.00 0.00 N ATOM 750 CZ ARG A 56 -5.095 -9.704 8.624 1.00 0.00 C ATOM 751 NH1 ARG A 56 -5.263 -9.933 9.919 1.00 0.00 N ATOM 752 NH2 ARG A 56 -5.334 -10.671 7.748 1.00 0.00 N ATOM 0 H ARG A 56 -0.100 -6.475 10.896 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.849 -9.021 9.590 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.734 -6.140 9.206 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.088 -7.396 8.037 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.051 -8.660 10.183 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.167 -7.030 10.816 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.240 -7.257 9.787 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.318 -6.475 8.518 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.571 -8.368 7.201 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.081 -9.192 10.596 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.574 -10.850 10.239 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.207 -10.499 6.751 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.645 -11.587 8.072 1.00 0.00 H new ATOM 766 N LEU A 57 1.127 -6.620 8.499 1.00 0.00 N ATOM 767 CA LEU A 57 2.186 -6.314 7.545 1.00 0.00 C ATOM 768 C LEU A 57 3.543 -6.248 8.240 1.00 0.00 C ATOM 769 O LEU A 57 3.655 -5.739 9.354 1.00 0.00 O ATOM 770 CB LEU A 57 1.897 -4.988 6.840 1.00 0.00 C ATOM 771 CG LEU A 57 0.579 -4.911 6.069 1.00 0.00 C ATOM 772 CD1 LEU A 57 0.489 -3.606 5.293 1.00 0.00 C ATOM 773 CD2 LEU A 57 0.439 -6.102 5.131 1.00 0.00 C ATOM 0 H LEU A 57 0.957 -5.888 9.189 1.00 0.00 H new ATOM 0 HA LEU A 57 2.216 -7.113 6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.905 -4.193 7.586 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.713 -4.783 6.147 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.241 -4.940 6.786 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.456 -3.570 4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.542 -2.766 5.986 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.316 -3.546 4.585 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.505 -6.031 4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.265 -6.104 4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.456 -7.025 5.710 1.00 0.00 H new ATOM 785 N GLU A 58 4.570 -6.765 7.572 1.00 0.00 N ATOM 786 CA GLU A 58 5.919 -6.762 8.126 1.00 0.00 C ATOM 787 C GLU A 58 6.928 -6.261 7.098 1.00 0.00 C ATOM 788 O GLU A 58 6.773 -6.487 5.898 1.00 0.00 O ATOM 789 CB GLU A 58 6.304 -8.168 8.593 1.00 0.00 C ATOM 790 CG GLU A 58 5.380 -8.730 9.659 1.00 0.00 C ATOM 791 CD GLU A 58 5.454 -10.242 9.757 1.00 0.00 C ATOM 792 OE1 GLU A 58 6.540 -10.763 10.084 1.00 0.00 O ATOM 793 OE2 GLU A 58 4.424 -10.903 9.507 1.00 0.00 O ATOM 0 H GLU A 58 4.494 -7.190 6.648 1.00 0.00 H new ATOM 0 HA GLU A 58 5.933 -6.086 8.981 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.305 -8.839 7.734 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.322 -8.146 8.982 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.637 -8.294 10.624 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.354 -8.434 9.439 1.00 0.00 H new ATOM 800 N VAL A 59 7.963 -5.578 7.577 1.00 0.00 N ATOM 801 CA VAL A 59 8.999 -5.044 6.701 1.00 0.00 C ATOM 802 C VAL A 59 9.345 -6.033 5.593 1.00 0.00 C ATOM 803 O VAL A 59 9.699 -7.181 5.860 1.00 0.00 O ATOM 804 CB VAL A 59 10.278 -4.703 7.488 1.00 0.00 C ATOM 805 CG1 VAL A 59 11.273 -3.973 6.598 1.00 0.00 C ATOM 806 CG2 VAL A 59 9.942 -3.873 8.717 1.00 0.00 C ATOM 0 H VAL A 59 8.106 -5.381 8.568 1.00 0.00 H new ATOM 0 HA VAL A 59 8.600 -4.132 6.258 1.00 0.00 H new ATOM 0 HB VAL A 59 10.738 -5.633 7.821 1.00 0.00 H new ATOM 0 HG11 VAL A 59 12.171 -3.740 7.171 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.537 -4.607 5.751 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.825 -3.049 6.233 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.858 -3.641 9.261 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.459 -2.946 8.409 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.269 -4.436 9.363 1.00 0.00 H new ATOM 816 N GLY A 60 9.241 -5.579 4.348 1.00 0.00 N ATOM 817 CA GLY A 60 9.546 -6.436 3.218 1.00 0.00 C ATOM 818 C GLY A 60 8.351 -6.647 2.310 1.00 0.00 C ATOM 819 O GLY A 60 8.506 -6.991 1.138 1.00 0.00 O ATOM 0 H GLY A 60 8.951 -4.633 4.102 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.362 -5.997 2.643 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.896 -7.402 3.583 1.00 0.00 H new ATOM 823 N ASP A 61 7.156 -6.441 2.851 1.00 0.00 N ATOM 824 CA ASP A 61 5.929 -6.610 2.081 1.00 0.00 C ATOM 825 C ASP A 61 5.914 -5.683 0.870 1.00 0.00 C ATOM 826 O ASP A 61 6.281 -4.511 0.968 1.00 0.00 O ATOM 827 CB ASP A 61 4.707 -6.340 2.961 1.00 0.00 C ATOM 828 CG ASP A 61 4.235 -7.581 3.693 1.00 0.00 C ATOM 829 OD1 ASP A 61 3.778 -8.529 3.021 1.00 0.00 O ATOM 830 OD2 ASP A 61 4.323 -7.604 4.939 1.00 0.00 O ATOM 0 H ASP A 61 7.010 -6.157 3.820 1.00 0.00 H new ATOM 0 HA ASP A 61 5.892 -7.640 1.727 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.950 -5.564 3.687 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.896 -5.956 2.343 1.00 0.00 H new ATOM 835 N LEU A 62 5.489 -6.214 -0.271 1.00 0.00 N ATOM 836 CA LEU A 62 5.427 -5.434 -1.502 1.00 0.00 C ATOM 837 C LEU A 62 4.047 -4.810 -1.683 1.00 0.00 C ATOM 838 O LEU A 62 3.026 -5.477 -1.514 1.00 0.00 O ATOM 839 CB LEU A 62 5.762 -6.317 -2.705 1.00 0.00 C ATOM 840 CG LEU A 62 6.971 -7.240 -2.545 1.00 0.00 C ATOM 841 CD1 LEU A 62 6.986 -8.295 -3.640 1.00 0.00 C ATOM 842 CD2 LEU A 62 8.262 -6.435 -2.560 1.00 0.00 C ATOM 0 H LEU A 62 5.182 -7.182 -0.369 1.00 0.00 H new ATOM 0 HA LEU A 62 6.161 -4.631 -1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.890 -6.930 -2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.934 -5.672 -3.567 1.00 0.00 H new ATOM 0 HG LEU A 62 6.893 -7.746 -1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.853 -8.942 -3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.076 -8.892 -3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.040 -7.808 -4.614 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.112 -7.108 -2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.347 -5.901 -3.507 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.253 -5.718 -1.739 1.00 0.00 H new ATOM 854 N VAL A 63 4.024 -3.527 -2.029 1.00 0.00 N ATOM 855 CA VAL A 63 2.770 -2.813 -2.236 1.00 0.00 C ATOM 856 C VAL A 63 2.442 -2.697 -3.721 1.00 0.00 C ATOM 857 O VAL A 63 3.238 -2.176 -4.504 1.00 0.00 O ATOM 858 CB VAL A 63 2.818 -1.403 -1.621 1.00 0.00 C ATOM 859 CG1 VAL A 63 1.411 -0.878 -1.376 1.00 0.00 C ATOM 860 CG2 VAL A 63 3.624 -1.412 -0.331 1.00 0.00 C ATOM 0 H VAL A 63 4.860 -2.961 -2.172 1.00 0.00 H new ATOM 0 HA VAL A 63 1.991 -3.391 -1.739 1.00 0.00 H new ATOM 0 HB VAL A 63 3.311 -0.735 -2.327 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.466 0.120 -0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.870 -0.833 -2.321 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.888 -1.545 -0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.648 -0.407 0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.161 -2.094 0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.642 -1.742 -0.540 1.00 0.00 H new ATOM 870 N LEU A 64 1.267 -3.185 -4.102 1.00 0.00 N ATOM 871 CA LEU A 64 0.833 -3.136 -5.494 1.00 0.00 C ATOM 872 C LEU A 64 -0.094 -1.949 -5.733 1.00 0.00 C ATOM 873 O LEU A 64 -0.004 -1.274 -6.759 1.00 0.00 O ATOM 874 CB LEU A 64 0.124 -4.437 -5.873 1.00 0.00 C ATOM 875 CG LEU A 64 0.980 -5.703 -5.839 1.00 0.00 C ATOM 876 CD1 LEU A 64 0.151 -6.919 -6.223 1.00 0.00 C ATOM 877 CD2 LEU A 64 2.180 -5.561 -6.763 1.00 0.00 C ATOM 0 H LEU A 64 0.597 -3.619 -3.467 1.00 0.00 H new ATOM 0 HA LEU A 64 1.716 -3.015 -6.121 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.721 -4.576 -5.199 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.284 -4.325 -6.878 1.00 0.00 H new ATOM 0 HG LEU A 64 1.345 -5.844 -4.822 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.777 -7.811 -6.193 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.675 -7.032 -5.521 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.244 -6.787 -7.230 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.778 -6.472 -6.726 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.836 -5.395 -7.784 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.788 -4.715 -6.443 1.00 0.00 H new ATOM 889 N HIS A 65 -0.985 -1.698 -4.779 1.00 0.00 N ATOM 890 CA HIS A 65 -1.928 -0.590 -4.884 1.00 0.00 C ATOM 891 C HIS A 65 -2.268 -0.033 -3.505 1.00 0.00 C ATOM 892 O HIS A 65 -1.888 -0.605 -2.483 1.00 0.00 O ATOM 893 CB HIS A 65 -3.204 -1.045 -5.592 1.00 0.00 C ATOM 894 CG HIS A 65 -2.975 -1.523 -6.993 1.00 0.00 C ATOM 895 ND1 HIS A 65 -2.216 -0.828 -7.911 1.00 0.00 N ATOM 896 CD2 HIS A 65 -3.407 -2.636 -7.631 1.00 0.00 C ATOM 897 CE1 HIS A 65 -2.193 -1.491 -9.053 1.00 0.00 C ATOM 898 NE2 HIS A 65 -2.908 -2.592 -8.910 1.00 0.00 N ATOM 0 H HIS A 65 -1.074 -2.247 -3.924 1.00 0.00 H new ATOM 0 HA HIS A 65 -1.458 0.200 -5.470 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.664 -1.847 -5.014 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -3.914 -0.218 -5.611 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.028 -3.414 -7.212 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.677 -1.185 -9.951 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -3.064 -3.295 -9.632 1.00 0.00 H new ATOM 907 N ILE A 66 -2.984 1.086 -3.485 1.00 0.00 N ATOM 908 CA ILE A 66 -3.375 1.720 -2.232 1.00 0.00 C ATOM 909 C ILE A 66 -4.726 2.414 -2.365 1.00 0.00 C ATOM 910 O ILE A 66 -4.967 3.147 -3.324 1.00 0.00 O ATOM 911 CB ILE A 66 -2.325 2.748 -1.770 1.00 0.00 C ATOM 912 CG1 ILE A 66 -1.033 2.039 -1.357 1.00 0.00 C ATOM 913 CG2 ILE A 66 -2.870 3.580 -0.619 1.00 0.00 C ATOM 914 CD1 ILE A 66 0.137 2.979 -1.168 1.00 0.00 C ATOM 0 H ILE A 66 -3.305 1.572 -4.322 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.448 0.928 -1.487 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.101 3.416 -2.602 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.207 1.496 -0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.776 1.299 -2.115 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.117 4.302 -0.303 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.766 4.109 -0.945 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.119 2.926 0.217 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.019 2.408 -0.876 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.337 3.503 -2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.101 3.704 -0.389 1.00 0.00 H new ATOM 926 N ASN A 67 -5.603 2.181 -1.395 1.00 0.00 N ATOM 927 CA ASN A 67 -6.931 2.785 -1.403 1.00 0.00 C ATOM 928 C ASN A 67 -7.620 2.567 -2.746 1.00 0.00 C ATOM 929 O ASN A 67 -8.184 3.495 -3.324 1.00 0.00 O ATOM 930 CB ASN A 67 -6.834 4.282 -1.104 1.00 0.00 C ATOM 931 CG ASN A 67 -6.914 4.582 0.381 1.00 0.00 C ATOM 932 OD1 ASN A 67 -5.786 4.964 0.969 1.00 0.00 O flip ATOM 933 ND2 ASN A 67 -7.977 4.471 0.991 1.00 0.00 N flip ATOM 0 H ASN A 67 -5.419 1.578 -0.593 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.527 2.304 -0.627 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.895 4.669 -1.500 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.638 4.806 -1.621 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.819 4.174 0.498 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -8.016 4.676 1.989 1.00 0.00 H new ATOM 940 N GLY A 68 -7.569 1.332 -3.238 1.00 0.00 N ATOM 941 CA GLY A 68 -8.193 1.014 -4.509 1.00 0.00 C ATOM 942 C GLY A 68 -7.675 1.879 -5.641 1.00 0.00 C ATOM 943 O GLY A 68 -8.338 2.033 -6.666 1.00 0.00 O ATOM 0 H GLY A 68 -7.107 0.547 -2.779 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.014 -0.035 -4.746 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.272 1.142 -4.423 1.00 0.00 H new ATOM 947 N GLU A 69 -6.487 2.446 -5.455 1.00 0.00 N ATOM 948 CA GLU A 69 -5.883 3.302 -6.469 1.00 0.00 C ATOM 949 C GLU A 69 -4.593 2.686 -7.004 1.00 0.00 C ATOM 950 O GLU A 69 -3.919 1.928 -6.306 1.00 0.00 O ATOM 951 CB GLU A 69 -5.596 4.690 -5.892 1.00 0.00 C ATOM 952 CG GLU A 69 -5.571 5.791 -6.939 1.00 0.00 C ATOM 953 CD GLU A 69 -6.956 6.312 -7.272 1.00 0.00 C ATOM 954 OE1 GLU A 69 -7.922 5.525 -7.187 1.00 0.00 O ATOM 955 OE2 GLU A 69 -7.073 7.506 -7.616 1.00 0.00 O ATOM 0 H GLU A 69 -5.924 2.328 -4.612 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.589 3.398 -7.294 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.354 4.928 -5.145 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.636 4.669 -5.376 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.954 6.615 -6.580 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.101 5.413 -7.847 1.00 0.00 H new ATOM 962 N SER A 70 -4.257 3.016 -8.247 1.00 0.00 N ATOM 963 CA SER A 70 -3.051 2.492 -8.877 1.00 0.00 C ATOM 964 C SER A 70 -1.841 3.355 -8.536 1.00 0.00 C ATOM 965 O SER A 70 -1.886 4.581 -8.647 1.00 0.00 O ATOM 966 CB SER A 70 -3.232 2.424 -10.395 1.00 0.00 C ATOM 967 OG SER A 70 -3.896 3.577 -10.882 1.00 0.00 O ATOM 0 H SER A 70 -4.803 3.644 -8.837 1.00 0.00 H new ATOM 0 HA SER A 70 -2.878 1.487 -8.493 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.259 2.331 -10.877 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.804 1.534 -10.657 1.00 0.00 H new ATOM 0 HG SER A 70 -3.998 3.510 -11.854 1.00 0.00 H new ATOM 973 N THR A 71 -0.757 2.707 -8.121 1.00 0.00 N ATOM 974 CA THR A 71 0.466 3.414 -7.762 1.00 0.00 C ATOM 975 C THR A 71 1.343 3.652 -8.986 1.00 0.00 C ATOM 976 O THR A 71 2.378 4.312 -8.900 1.00 0.00 O ATOM 977 CB THR A 71 1.276 2.635 -6.708 1.00 0.00 C ATOM 978 OG1 THR A 71 2.154 1.706 -7.354 1.00 0.00 O ATOM 979 CG2 THR A 71 0.352 1.891 -5.757 1.00 0.00 C ATOM 0 H THR A 71 -0.701 1.693 -8.025 1.00 0.00 H new ATOM 0 HA THR A 71 0.165 4.374 -7.342 1.00 0.00 H new ATOM 0 HB THR A 71 1.864 3.350 -6.132 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.667 1.216 -6.678 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.947 1.348 -5.022 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.295 2.604 -5.246 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.259 1.186 -6.321 1.00 0.00 H new ATOM 987 N GLN A 72 0.921 3.111 -10.125 1.00 0.00 N ATOM 988 CA GLN A 72 1.669 3.266 -11.367 1.00 0.00 C ATOM 989 C GLN A 72 1.929 4.738 -11.666 1.00 0.00 C ATOM 990 O GLN A 72 2.894 5.083 -12.345 1.00 0.00 O ATOM 991 CB GLN A 72 0.908 2.624 -12.528 1.00 0.00 C ATOM 992 CG GLN A 72 -0.175 3.516 -13.113 1.00 0.00 C ATOM 993 CD GLN A 72 -0.926 2.853 -14.251 1.00 0.00 C ATOM 994 OE1 GLN A 72 -0.922 3.341 -15.381 1.00 0.00 O ATOM 995 NE2 GLN A 72 -1.577 1.733 -13.957 1.00 0.00 N ATOM 0 H GLN A 72 0.066 2.562 -10.213 1.00 0.00 H new ATOM 0 HA GLN A 72 2.629 2.764 -11.249 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.616 2.362 -13.315 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.455 1.694 -12.184 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.880 3.788 -12.327 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.276 4.441 -13.471 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.553 1.364 -13.006 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -2.101 1.242 -14.682 1.00 0.00 H new ATOM 1004 N GLY A 73 1.059 5.604 -11.153 1.00 0.00 N ATOM 1005 CA GLY A 73 1.212 7.030 -11.377 1.00 0.00 C ATOM 1006 C GLY A 73 1.372 7.805 -10.084 1.00 0.00 C ATOM 1007 O GLY A 73 1.108 9.008 -10.036 1.00 0.00 O ATOM 0 H GLY A 73 0.252 5.343 -10.587 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.081 7.204 -12.011 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.343 7.405 -11.917 1.00 0.00 H new ATOM 1011 N LEU A 74 1.803 7.118 -9.033 1.00 0.00 N ATOM 1012 CA LEU A 74 1.996 7.749 -7.732 1.00 0.00 C ATOM 1013 C LEU A 74 3.433 7.579 -7.251 1.00 0.00 C ATOM 1014 O LEU A 74 4.028 6.510 -7.401 1.00 0.00 O ATOM 1015 CB LEU A 74 1.029 7.155 -6.706 1.00 0.00 C ATOM 1016 CG LEU A 74 -0.444 7.117 -7.115 1.00 0.00 C ATOM 1017 CD1 LEU A 74 -1.264 6.357 -6.085 1.00 0.00 C ATOM 1018 CD2 LEU A 74 -0.984 8.529 -7.293 1.00 0.00 C ATOM 0 H LEU A 74 2.026 6.123 -9.056 1.00 0.00 H new ATOM 0 HA LEU A 74 1.793 8.814 -7.840 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.349 6.138 -6.481 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.114 7.727 -5.782 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.524 6.596 -8.069 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.310 6.340 -6.393 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.893 5.335 -6.006 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.179 6.850 -5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.033 8.483 -7.584 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.891 9.075 -6.354 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.414 9.041 -8.068 1.00 0.00 H new ATOM 1030 N THR A 75 3.988 8.638 -6.671 1.00 0.00 N ATOM 1031 CA THR A 75 5.355 8.606 -6.167 1.00 0.00 C ATOM 1032 C THR A 75 5.379 8.420 -4.654 1.00 0.00 C ATOM 1033 O THR A 75 4.346 8.514 -3.990 1.00 0.00 O ATOM 1034 CB THR A 75 6.117 9.896 -6.526 1.00 0.00 C ATOM 1035 OG1 THR A 75 5.267 11.034 -6.342 1.00 0.00 O ATOM 1036 CG2 THR A 75 6.609 9.851 -7.965 1.00 0.00 C ATOM 0 H THR A 75 3.511 9.530 -6.539 1.00 0.00 H new ATOM 0 HA THR A 75 5.847 7.758 -6.643 1.00 0.00 H new ATOM 0 HB THR A 75 6.981 9.978 -5.866 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.759 11.850 -6.571 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.144 10.772 -8.196 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.278 9.001 -8.094 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.757 9.748 -8.638 1.00 0.00 H new ATOM 1044 N HIS A 76 6.564 8.155 -4.114 1.00 0.00 N ATOM 1045 CA HIS A 76 6.723 7.956 -2.678 1.00 0.00 C ATOM 1046 C HIS A 76 5.941 9.007 -1.895 1.00 0.00 C ATOM 1047 O HIS A 76 5.446 8.738 -0.801 1.00 0.00 O ATOM 1048 CB HIS A 76 8.202 8.013 -2.294 1.00 0.00 C ATOM 1049 CG HIS A 76 8.435 8.394 -0.864 1.00 0.00 C ATOM 1050 ND1 HIS A 76 8.679 9.690 -0.461 1.00 0.00 N ATOM 1051 CD2 HIS A 76 8.460 7.640 0.260 1.00 0.00 C ATOM 1052 CE1 HIS A 76 8.845 9.717 0.849 1.00 0.00 C ATOM 1053 NE2 HIS A 76 8.717 8.486 1.311 1.00 0.00 N ATOM 0 H HIS A 76 7.428 8.073 -4.649 1.00 0.00 H new ATOM 0 HA HIS A 76 6.328 6.972 -2.426 1.00 0.00 H new ATOM 0 HB2 HIS A 76 8.655 7.039 -2.481 1.00 0.00 H new ATOM 0 HB3 HIS A 76 8.709 8.730 -2.940 1.00 0.00 H new ATOM 0 HD2 HIS A 76 8.307 6.573 0.319 1.00 0.00 H new ATOM 0 HE1 HIS A 76 9.050 10.596 1.442 1.00 0.00 H new ATOM 0 HE2 HIS A 76 8.796 8.209 2.289 1.00 0.00 H new ATOM 1062 N ALA A 77 5.836 10.204 -2.462 1.00 0.00 N ATOM 1063 CA ALA A 77 5.114 11.294 -1.818 1.00 0.00 C ATOM 1064 C ALA A 77 3.606 11.118 -1.968 1.00 0.00 C ATOM 1065 O ALA A 77 2.859 11.237 -0.997 1.00 0.00 O ATOM 1066 CB ALA A 77 5.552 12.631 -2.396 1.00 0.00 C ATOM 0 H ALA A 77 6.242 10.444 -3.367 1.00 0.00 H new ATOM 0 HA ALA A 77 5.351 11.276 -0.754 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.005 13.436 -1.906 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.621 12.766 -2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.345 12.650 -3.466 1.00 0.00 H new ATOM 1072 N GLN A 78 3.167 10.836 -3.190 1.00 0.00 N ATOM 1073 CA GLN A 78 1.748 10.646 -3.467 1.00 0.00 C ATOM 1074 C GLN A 78 1.184 9.490 -2.648 1.00 0.00 C ATOM 1075 O GLN A 78 0.224 9.658 -1.897 1.00 0.00 O ATOM 1076 CB GLN A 78 1.528 10.386 -4.958 1.00 0.00 C ATOM 1077 CG GLN A 78 2.036 11.505 -5.852 1.00 0.00 C ATOM 1078 CD GLN A 78 1.024 12.621 -6.024 1.00 0.00 C ATOM 1079 OE1 GLN A 78 -0.103 12.533 -5.535 1.00 0.00 O ATOM 1080 NE2 GLN A 78 1.421 13.679 -6.721 1.00 0.00 N ATOM 0 H GLN A 78 3.773 10.734 -4.004 1.00 0.00 H new ATOM 0 HA GLN A 78 1.223 11.558 -3.184 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.027 9.457 -5.234 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.463 10.242 -5.140 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.954 11.914 -5.429 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.290 11.096 -6.830 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.364 13.710 -7.108 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.783 14.461 -6.869 1.00 0.00 H new ATOM 1089 N ALA A 79 1.787 8.315 -2.799 1.00 0.00 N ATOM 1090 CA ALA A 79 1.346 7.131 -2.072 1.00 0.00 C ATOM 1091 C ALA A 79 1.018 7.467 -0.622 1.00 0.00 C ATOM 1092 O ALA A 79 0.024 6.992 -0.073 1.00 0.00 O ATOM 1093 CB ALA A 79 2.410 6.045 -2.137 1.00 0.00 C ATOM 0 H ALA A 79 2.582 8.158 -3.418 1.00 0.00 H new ATOM 0 HA ALA A 79 0.436 6.762 -2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.067 5.167 -1.590 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.592 5.776 -3.177 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.334 6.413 -1.690 1.00 0.00 H new ATOM 1099 N VAL A 80 1.861 8.290 -0.005 1.00 0.00 N ATOM 1100 CA VAL A 80 1.661 8.690 1.383 1.00 0.00 C ATOM 1101 C VAL A 80 0.470 9.633 1.516 1.00 0.00 C ATOM 1102 O VAL A 80 -0.268 9.581 2.499 1.00 0.00 O ATOM 1103 CB VAL A 80 2.914 9.380 1.955 1.00 0.00 C ATOM 1104 CG1 VAL A 80 2.664 9.842 3.382 1.00 0.00 C ATOM 1105 CG2 VAL A 80 4.112 8.445 1.890 1.00 0.00 C ATOM 0 H VAL A 80 2.689 8.692 -0.445 1.00 0.00 H new ATOM 0 HA VAL A 80 1.466 7.780 1.950 1.00 0.00 H new ATOM 0 HB VAL A 80 3.134 10.258 1.348 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.560 10.327 3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.834 10.549 3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.419 8.982 4.005 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.989 8.948 2.298 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.905 7.547 2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.302 8.169 0.853 1.00 0.00 H new ATOM 1115 N GLU A 81 0.289 10.494 0.519 1.00 0.00 N ATOM 1116 CA GLU A 81 -0.812 11.449 0.526 1.00 0.00 C ATOM 1117 C GLU A 81 -2.155 10.732 0.429 1.00 0.00 C ATOM 1118 O GLU A 81 -3.069 10.992 1.213 1.00 0.00 O ATOM 1119 CB GLU A 81 -0.666 12.439 -0.632 1.00 0.00 C ATOM 1120 CG GLU A 81 -1.793 13.455 -0.710 1.00 0.00 C ATOM 1121 CD GLU A 81 -2.949 12.979 -1.568 1.00 0.00 C ATOM 1122 OE1 GLU A 81 -3.748 12.151 -1.081 1.00 0.00 O ATOM 1123 OE2 GLU A 81 -3.055 13.434 -2.726 1.00 0.00 O ATOM 0 H GLU A 81 0.890 10.549 -0.303 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.778 11.996 1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.282 12.967 -0.530 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.622 11.885 -1.570 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.155 13.668 0.296 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.406 14.391 -1.114 1.00 0.00 H new ATOM 1130 N ARG A 82 -2.268 9.827 -0.538 1.00 0.00 N ATOM 1131 CA ARG A 82 -3.499 9.072 -0.739 1.00 0.00 C ATOM 1132 C ARG A 82 -3.983 8.462 0.573 1.00 0.00 C ATOM 1133 O ARG A 82 -5.123 8.676 0.985 1.00 0.00 O ATOM 1134 CB ARG A 82 -3.283 7.970 -1.778 1.00 0.00 C ATOM 1135 CG ARG A 82 -2.926 8.496 -3.159 1.00 0.00 C ATOM 1136 CD ARG A 82 -4.014 9.408 -3.706 1.00 0.00 C ATOM 1137 NE ARG A 82 -5.308 8.736 -3.773 1.00 0.00 N ATOM 1138 CZ ARG A 82 -6.468 9.380 -3.851 1.00 0.00 C ATOM 1139 NH1 ARG A 82 -6.493 10.705 -3.873 1.00 0.00 N ATOM 1140 NH2 ARG A 82 -7.604 8.698 -3.909 1.00 0.00 N ATOM 0 H ARG A 82 -1.522 9.599 -1.195 1.00 0.00 H new ATOM 0 HA ARG A 82 -4.262 9.760 -1.103 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.488 7.309 -1.434 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.189 7.368 -1.851 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -1.983 9.041 -3.109 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.775 7.659 -3.841 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.097 10.293 -3.074 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -3.732 9.752 -4.701 1.00 0.00 H new ATOM 0 HE ARG A 82 -5.323 7.716 -3.759 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -5.621 11.232 -3.830 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.384 11.197 -3.933 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.588 7.678 -3.894 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.494 9.193 -3.969 1.00 0.00 H new ATOM 1154 N ILE A 83 -3.109 7.701 1.223 1.00 0.00 N ATOM 1155 CA ILE A 83 -3.447 7.060 2.488 1.00 0.00 C ATOM 1156 C ILE A 83 -3.976 8.076 3.494 1.00 0.00 C ATOM 1157 O ILE A 83 -5.094 7.946 3.994 1.00 0.00 O ATOM 1158 CB ILE A 83 -2.231 6.338 3.096 1.00 0.00 C ATOM 1159 CG1 ILE A 83 -1.662 5.324 2.100 1.00 0.00 C ATOM 1160 CG2 ILE A 83 -2.619 5.650 4.396 1.00 0.00 C ATOM 1161 CD1 ILE A 83 -0.308 4.780 2.499 1.00 0.00 C ATOM 0 H ILE A 83 -2.162 7.513 0.895 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.224 6.326 2.273 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.460 7.077 3.315 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.362 4.495 1.998 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.581 5.795 1.120 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.749 5.144 4.814 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.983 6.393 5.106 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.404 4.920 4.201 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.034 4.068 1.748 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.406 5.600 2.573 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.387 4.280 3.464 1.00 0.00 H new ATOM 1173 N ARG A 84 -3.167 9.089 3.786 1.00 0.00 N ATOM 1174 CA ARG A 84 -3.553 10.128 4.733 1.00 0.00 C ATOM 1175 C ARG A 84 -4.928 10.693 4.389 1.00 0.00 C ATOM 1176 O ARG A 84 -5.825 10.726 5.231 1.00 0.00 O ATOM 1177 CB ARG A 84 -2.516 11.252 4.741 1.00 0.00 C ATOM 1178 CG ARG A 84 -1.244 10.901 5.495 1.00 0.00 C ATOM 1179 CD ARG A 84 -0.567 12.143 6.053 1.00 0.00 C ATOM 1180 NE ARG A 84 0.386 12.719 5.108 1.00 0.00 N ATOM 1181 CZ ARG A 84 1.229 13.698 5.419 1.00 0.00 C ATOM 1182 NH1 ARG A 84 1.237 14.206 6.643 1.00 0.00 N ATOM 1183 NH2 ARG A 84 2.067 14.169 4.504 1.00 0.00 N ATOM 0 H ARG A 84 -2.239 9.212 3.380 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.601 9.680 5.726 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.260 11.506 3.712 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.960 12.141 5.188 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.480 10.217 6.310 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.557 10.379 4.829 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.324 12.887 6.303 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.051 11.889 6.979 1.00 0.00 H new ATOM 0 HE ARG A 84 0.406 12.350 4.157 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.595 13.846 7.349 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.885 14.957 6.879 1.00 0.00 H new ATOM 0 HH21 ARG A 84 2.064 13.780 3.561 1.00 0.00 H new ATOM 0 HH22 ARG A 84 2.714 14.920 4.743 1.00 0.00 H new ATOM 1197 N ALA A 85 -5.086 11.136 3.146 1.00 0.00 N ATOM 1198 CA ALA A 85 -6.351 11.697 2.690 1.00 0.00 C ATOM 1199 C ALA A 85 -7.441 10.632 2.646 1.00 0.00 C ATOM 1200 O ALA A 85 -8.624 10.944 2.513 1.00 0.00 O ATOM 1201 CB ALA A 85 -6.181 12.338 1.320 1.00 0.00 C ATOM 0 H ALA A 85 -4.353 11.117 2.437 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.657 12.463 3.402 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.134 12.753 0.992 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.440 13.135 1.381 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.847 11.586 0.605 1.00 0.00 H new ATOM 1207 N GLY A 86 -7.034 9.371 2.758 1.00 0.00 N ATOM 1208 CA GLY A 86 -7.989 8.278 2.728 1.00 0.00 C ATOM 1209 C GLY A 86 -9.106 8.456 3.737 1.00 0.00 C ATOM 1210 O GLY A 86 -10.192 7.902 3.576 1.00 0.00 O ATOM 0 H GLY A 86 -6.061 9.087 2.869 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.416 8.200 1.728 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.470 7.340 2.927 1.00 0.00 H new ATOM 1214 N GLY A 87 -8.837 9.231 4.784 1.00 0.00 N ATOM 1215 CA GLY A 87 -9.837 9.464 5.810 1.00 0.00 C ATOM 1216 C GLY A 87 -9.524 8.736 7.102 1.00 0.00 C ATOM 1217 O GLY A 87 -8.374 8.400 7.387 1.00 0.00 O ATOM 0 H GLY A 87 -7.945 9.701 4.940 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.908 10.534 6.007 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.812 9.143 5.443 1.00 0.00 H new ATOM 1221 N PRO A 88 -10.564 8.483 7.910 1.00 0.00 N ATOM 1222 CA PRO A 88 -10.418 7.789 9.193 1.00 0.00 C ATOM 1223 C PRO A 88 -10.069 6.315 9.018 1.00 0.00 C ATOM 1224 O PRO A 88 -9.628 5.656 9.960 1.00 0.00 O ATOM 1225 CB PRO A 88 -11.799 7.939 9.836 1.00 0.00 C ATOM 1226 CG PRO A 88 -12.734 8.113 8.689 1.00 0.00 C ATOM 1227 CD PRO A 88 -11.961 8.855 7.634 1.00 0.00 C ATOM 0 HA PRO A 88 -9.607 8.204 9.791 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -12.058 7.061 10.428 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.832 8.797 10.507 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -13.077 7.148 8.315 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.620 8.672 8.989 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -12.265 8.559 6.630 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.112 9.932 7.708 1.00 0.00 H new ATOM 1235 N GLN A 89 -10.270 5.803 7.807 1.00 0.00 N ATOM 1236 CA GLN A 89 -9.976 4.406 7.510 1.00 0.00 C ATOM 1237 C GLN A 89 -8.862 4.293 6.475 1.00 0.00 C ATOM 1238 O GLN A 89 -8.858 5.006 5.471 1.00 0.00 O ATOM 1239 CB GLN A 89 -11.233 3.695 7.005 1.00 0.00 C ATOM 1240 CG GLN A 89 -12.060 3.063 8.113 1.00 0.00 C ATOM 1241 CD GLN A 89 -11.405 1.827 8.697 1.00 0.00 C ATOM 1242 OE1 GLN A 89 -10.635 1.141 8.025 1.00 0.00 O ATOM 1243 NE2 GLN A 89 -11.709 1.536 9.957 1.00 0.00 N ATOM 0 H GLN A 89 -10.635 6.335 7.017 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.642 3.927 8.430 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.852 4.410 6.463 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.942 2.922 6.294 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.218 3.795 8.905 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -13.043 2.799 7.722 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -12.352 2.133 10.477 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.299 0.716 10.404 1.00 0.00 H new ATOM 1252 N LEU A 90 -7.919 3.392 6.725 1.00 0.00 N ATOM 1253 CA LEU A 90 -6.798 3.184 5.815 1.00 0.00 C ATOM 1254 C LEU A 90 -7.014 1.940 4.960 1.00 0.00 C ATOM 1255 O LEU A 90 -7.730 1.019 5.355 1.00 0.00 O ATOM 1256 CB LEU A 90 -5.493 3.055 6.602 1.00 0.00 C ATOM 1257 CG LEU A 90 -4.300 2.483 5.834 1.00 0.00 C ATOM 1258 CD1 LEU A 90 -2.993 2.933 6.468 1.00 0.00 C ATOM 1259 CD2 LEU A 90 -4.376 0.964 5.785 1.00 0.00 C ATOM 0 H LEU A 90 -7.908 2.793 7.551 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.733 4.049 5.155 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.219 4.041 6.977 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.677 2.423 7.471 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.334 2.861 4.812 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.155 2.517 5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.936 4.021 6.451 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.950 2.584 7.500 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.519 0.574 5.235 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.367 0.566 6.800 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.296 0.662 5.285 1.00 0.00 H new ATOM 1271 N HIS A 91 -6.390 1.918 3.786 1.00 0.00 N ATOM 1272 CA HIS A 91 -6.512 0.785 2.876 1.00 0.00 C ATOM 1273 C HIS A 91 -5.280 0.670 1.983 1.00 0.00 C ATOM 1274 O HIS A 91 -4.929 1.610 1.268 1.00 0.00 O ATOM 1275 CB HIS A 91 -7.768 0.927 2.016 1.00 0.00 C ATOM 1276 CG HIS A 91 -8.064 -0.282 1.184 1.00 0.00 C ATOM 1277 ND1 HIS A 91 -7.859 -0.326 -0.179 1.00 0.00 N ATOM 1278 CD2 HIS A 91 -8.551 -1.497 1.529 1.00 0.00 C ATOM 1279 CE1 HIS A 91 -8.209 -1.515 -0.637 1.00 0.00 C ATOM 1280 NE2 HIS A 91 -8.632 -2.245 0.380 1.00 0.00 N ATOM 0 H HIS A 91 -5.795 2.672 3.443 1.00 0.00 H new ATOM 0 HA HIS A 91 -6.591 -0.123 3.474 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -8.621 1.130 2.664 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.654 1.790 1.360 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.825 -1.818 2.523 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -8.158 -1.836 -1.667 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.965 -3.207 0.321 1.00 0.00 H new ATOM 1289 N LEU A 92 -4.627 -0.486 2.029 1.00 0.00 N ATOM 1290 CA LEU A 92 -3.434 -0.724 1.225 1.00 0.00 C ATOM 1291 C LEU A 92 -3.407 -2.156 0.701 1.00 0.00 C ATOM 1292 O LEU A 92 -3.728 -3.099 1.424 1.00 0.00 O ATOM 1293 CB LEU A 92 -2.176 -0.446 2.049 1.00 0.00 C ATOM 1294 CG LEU A 92 -2.225 0.783 2.957 1.00 0.00 C ATOM 1295 CD1 LEU A 92 -0.958 0.882 3.792 1.00 0.00 C ATOM 1296 CD2 LEU A 92 -2.423 2.047 2.132 1.00 0.00 C ATOM 0 H LEU A 92 -4.904 -1.273 2.615 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.459 -0.046 0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.970 -1.321 2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.335 -0.334 1.364 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.073 0.677 3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.012 1.763 4.432 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.859 -0.010 4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.094 0.964 3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.456 2.912 2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.596 2.157 1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.360 1.978 1.579 1.00 0.00 H new ATOM 1308 N VAL A 93 -3.020 -2.311 -0.562 1.00 0.00 N ATOM 1309 CA VAL A 93 -2.947 -3.629 -1.182 1.00 0.00 C ATOM 1310 C VAL A 93 -1.526 -4.179 -1.140 1.00 0.00 C ATOM 1311 O VAL A 93 -0.639 -3.690 -1.840 1.00 0.00 O ATOM 1312 CB VAL A 93 -3.426 -3.587 -2.646 1.00 0.00 C ATOM 1313 CG1 VAL A 93 -3.711 -4.992 -3.155 1.00 0.00 C ATOM 1314 CG2 VAL A 93 -4.657 -2.703 -2.778 1.00 0.00 C ATOM 0 H VAL A 93 -2.753 -1.541 -1.175 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.604 -4.285 -0.610 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.632 -3.159 -3.258 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.048 -4.942 -4.190 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.802 -5.591 -3.098 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.487 -5.450 -2.542 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.982 -2.685 -3.818 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.458 -3.100 -2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.414 -1.690 -2.456 1.00 0.00 H new ATOM 1324 N ILE A 94 -1.316 -5.198 -0.313 1.00 0.00 N ATOM 1325 CA ILE A 94 -0.003 -5.816 -0.181 1.00 0.00 C ATOM 1326 C ILE A 94 0.026 -7.193 -0.835 1.00 0.00 C ATOM 1327 O ILE A 94 -0.953 -7.938 -0.780 1.00 0.00 O ATOM 1328 CB ILE A 94 0.408 -5.953 1.297 1.00 0.00 C ATOM 1329 CG1 ILE A 94 0.555 -4.572 1.939 1.00 0.00 C ATOM 1330 CG2 ILE A 94 1.706 -6.738 1.415 1.00 0.00 C ATOM 1331 CD1 ILE A 94 1.612 -3.710 1.284 1.00 0.00 C ATOM 0 H ILE A 94 -2.039 -5.613 0.275 1.00 0.00 H new ATOM 0 HA ILE A 94 0.706 -5.162 -0.688 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.374 -6.498 1.827 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.404 -4.055 1.893 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.800 -4.695 2.994 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.984 -6.826 2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.569 -7.733 0.991 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.496 -6.218 0.874 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.661 -2.746 1.791 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.580 -4.206 1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.357 -3.556 0.235 1.00 0.00 H new ATOM 1343 N ARG A 95 1.155 -7.526 -1.452 1.00 0.00 N ATOM 1344 CA ARG A 95 1.311 -8.814 -2.116 1.00 0.00 C ATOM 1345 C ARG A 95 2.396 -9.647 -1.439 1.00 0.00 C ATOM 1346 O ARG A 95 3.432 -9.120 -1.030 1.00 0.00 O ATOM 1347 CB ARG A 95 1.656 -8.612 -3.593 1.00 0.00 C ATOM 1348 CG ARG A 95 2.070 -9.891 -4.302 1.00 0.00 C ATOM 1349 CD ARG A 95 0.873 -10.603 -4.912 1.00 0.00 C ATOM 1350 NE ARG A 95 0.123 -11.366 -3.917 1.00 0.00 N ATOM 1351 CZ ARG A 95 0.442 -12.600 -3.545 1.00 0.00 C ATOM 1352 NH1 ARG A 95 1.490 -13.209 -4.083 1.00 0.00 N ATOM 1353 NH2 ARG A 95 -0.289 -13.229 -2.633 1.00 0.00 N ATOM 0 H ARG A 95 1.975 -6.922 -1.506 1.00 0.00 H new ATOM 0 HA ARG A 95 0.365 -9.350 -2.041 1.00 0.00 H new ATOM 0 HB2 ARG A 95 0.792 -8.186 -4.104 1.00 0.00 H new ATOM 0 HB3 ARG A 95 2.464 -7.885 -3.673 1.00 0.00 H new ATOM 0 HG2 ARG A 95 2.793 -9.657 -5.084 1.00 0.00 H new ATOM 0 HG3 ARG A 95 2.568 -10.555 -3.596 1.00 0.00 H new ATOM 0 HD2 ARG A 95 0.215 -9.870 -5.378 1.00 0.00 H new ATOM 0 HD3 ARG A 95 1.214 -11.273 -5.701 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.690 -10.927 -3.485 1.00 0.00 H new ATOM 0 HH11 ARG A 95 2.054 -12.729 -4.785 1.00 0.00 H new ATOM 0 HH12 ARG A 95 1.732 -14.157 -3.795 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -1.096 -12.764 -2.217 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -0.043 -14.177 -2.348 1.00 0.00 H new ATOM 1367 N ARG A 96 2.151 -10.948 -1.323 1.00 0.00 N ATOM 1368 CA ARG A 96 3.106 -11.852 -0.694 1.00 0.00 C ATOM 1369 C ARG A 96 3.944 -12.575 -1.745 1.00 0.00 C ATOM 1370 O ARG A 96 3.453 -13.427 -2.487 1.00 0.00 O ATOM 1371 CB ARG A 96 2.375 -12.872 0.181 1.00 0.00 C ATOM 1372 CG ARG A 96 3.222 -13.417 1.318 1.00 0.00 C ATOM 1373 CD ARG A 96 3.101 -12.556 2.566 1.00 0.00 C ATOM 1374 NE ARG A 96 1.793 -12.694 3.201 1.00 0.00 N ATOM 1375 CZ ARG A 96 1.494 -13.659 4.064 1.00 0.00 C ATOM 1376 NH1 ARG A 96 2.404 -14.565 4.392 1.00 0.00 N ATOM 1377 NH2 ARG A 96 0.282 -13.718 4.600 1.00 0.00 N ATOM 0 H ARG A 96 1.299 -11.400 -1.656 1.00 0.00 H new ATOM 0 HA ARG A 96 3.772 -11.258 -0.068 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.481 -12.407 0.596 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.043 -13.702 -0.443 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.913 -14.437 1.547 1.00 0.00 H new ATOM 0 HG3 ARG A 96 4.265 -13.463 1.006 1.00 0.00 H new ATOM 0 HD2 ARG A 96 3.880 -12.835 3.276 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.268 -11.511 2.303 1.00 0.00 H new ATOM 0 HE ARG A 96 1.070 -12.013 2.969 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.337 -14.523 3.982 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.171 -15.305 5.055 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -0.421 -13.022 4.350 1.00 0.00 H new ATOM 0 HH22 ARG A 96 0.053 -14.459 5.262 1.00 0.00 H new ATOM 1391 N PRO A 97 5.238 -12.228 -1.812 1.00 0.00 N ATOM 1392 CA PRO A 97 6.171 -12.832 -2.768 1.00 0.00 C ATOM 1393 C PRO A 97 6.477 -14.289 -2.438 1.00 0.00 C ATOM 1394 O PRO A 97 5.910 -14.857 -1.504 1.00 0.00 O ATOM 1395 CB PRO A 97 7.430 -11.974 -2.624 1.00 0.00 C ATOM 1396 CG PRO A 97 7.353 -11.416 -1.245 1.00 0.00 C ATOM 1397 CD PRO A 97 5.890 -11.220 -0.959 1.00 0.00 C ATOM 0 HA PRO A 97 5.765 -12.850 -3.779 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.333 -12.570 -2.760 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.456 -11.181 -3.371 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.804 -12.097 -0.523 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.894 -10.472 -1.175 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.662 -11.377 0.095 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.563 -10.210 -1.208 1.00 0.00 H new ATOM 1405 N LEU A 98 7.377 -14.888 -3.210 1.00 0.00 N ATOM 1406 CA LEU A 98 7.760 -16.280 -2.999 1.00 0.00 C ATOM 1407 C LEU A 98 8.530 -16.441 -1.693 1.00 0.00 C ATOM 1408 O LEU A 98 9.631 -15.912 -1.540 1.00 0.00 O ATOM 1409 CB LEU A 98 8.608 -16.779 -4.170 1.00 0.00 C ATOM 1410 CG LEU A 98 8.709 -18.297 -4.327 1.00 0.00 C ATOM 1411 CD1 LEU A 98 9.518 -18.899 -3.188 1.00 0.00 C ATOM 1412 CD2 LEU A 98 7.322 -18.920 -4.386 1.00 0.00 C ATOM 0 H LEU A 98 7.855 -14.432 -3.987 1.00 0.00 H new ATOM 0 HA LEU A 98 6.850 -16.876 -2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.198 -16.365 -5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.615 -16.377 -4.060 1.00 0.00 H new ATOM 0 HG LEU A 98 9.223 -18.513 -5.264 1.00 0.00 H new ATOM 0 HD11 LEU A 98 9.579 -19.980 -3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.522 -18.476 -3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.033 -18.674 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.413 -20.000 -4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.782 -18.695 -3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.776 -18.512 -5.236 1.00 0.00 H new ATOM 1424 N SER A 99 7.945 -17.177 -0.753 1.00 0.00 N ATOM 1425 CA SER A 99 8.575 -17.407 0.541 1.00 0.00 C ATOM 1426 C SER A 99 9.392 -18.696 0.527 1.00 0.00 C ATOM 1427 O SER A 99 8.901 -19.759 0.903 1.00 0.00 O ATOM 1428 CB SER A 99 7.517 -17.473 1.644 1.00 0.00 C ATOM 1429 OG SER A 99 6.826 -16.242 1.763 1.00 0.00 O ATOM 0 H SER A 99 7.035 -17.624 -0.864 1.00 0.00 H new ATOM 0 HA SER A 99 9.247 -16.573 0.742 1.00 0.00 H new ATOM 0 HB2 SER A 99 6.808 -18.272 1.425 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.992 -17.720 2.593 1.00 0.00 H new ATOM 0 HG SER A 99 6.154 -16.311 2.473 1.00 0.00 H new ATOM 1435 N GLY A 100 10.643 -18.591 0.088 1.00 0.00 N ATOM 1436 CA GLY A 100 11.509 -19.755 0.032 1.00 0.00 C ATOM 1437 C GLY A 100 12.854 -19.508 0.685 1.00 0.00 C ATOM 1438 O GLY A 100 13.194 -18.383 1.052 1.00 0.00 O ATOM 0 H GLY A 100 11.072 -17.722 -0.230 1.00 0.00 H new ATOM 0 HA2 GLY A 100 11.018 -20.594 0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 100 11.661 -20.041 -1.009 1.00 0.00 H new ATOM 1442 N PRO A 101 13.647 -20.580 0.839 1.00 0.00 N ATOM 1443 CA PRO A 101 14.975 -20.500 1.454 1.00 0.00 C ATOM 1444 C PRO A 101 15.978 -19.763 0.573 1.00 0.00 C ATOM 1445 O PRO A 101 16.246 -20.173 -0.556 1.00 0.00 O ATOM 1446 CB PRO A 101 15.381 -21.967 1.614 1.00 0.00 C ATOM 1447 CG PRO A 101 14.609 -22.690 0.564 1.00 0.00 C ATOM 1448 CD PRO A 101 13.307 -21.951 0.425 1.00 0.00 C ATOM 0 HA PRO A 101 14.957 -19.944 2.391 1.00 0.00 H new ATOM 0 HB2 PRO A 101 16.454 -22.098 1.477 1.00 0.00 H new ATOM 0 HB3 PRO A 101 15.139 -22.338 2.610 1.00 0.00 H new ATOM 0 HG2 PRO A 101 15.153 -22.703 -0.381 1.00 0.00 H new ATOM 0 HG3 PRO A 101 14.440 -23.728 0.849 1.00 0.00 H new ATOM 0 HD2 PRO A 101 12.935 -21.981 -0.599 1.00 0.00 H new ATOM 0 HD3 PRO A 101 12.531 -22.381 1.058 1.00 0.00 H new ATOM 1456 N SER A 102 16.530 -18.673 1.097 1.00 0.00 N ATOM 1457 CA SER A 102 17.501 -17.876 0.356 1.00 0.00 C ATOM 1458 C SER A 102 18.631 -17.410 1.270 1.00 0.00 C ATOM 1459 O SER A 102 18.442 -16.527 2.107 1.00 0.00 O ATOM 1460 CB SER A 102 16.818 -16.668 -0.287 1.00 0.00 C ATOM 1461 OG SER A 102 15.777 -17.075 -1.158 1.00 0.00 O ATOM 0 H SER A 102 16.321 -18.322 2.032 1.00 0.00 H new ATOM 0 HA SER A 102 17.926 -18.503 -0.428 1.00 0.00 H new ATOM 0 HB2 SER A 102 16.414 -16.019 0.490 1.00 0.00 H new ATOM 0 HB3 SER A 102 17.552 -16.083 -0.841 1.00 0.00 H new ATOM 0 HG SER A 102 15.355 -16.285 -1.555 1.00 0.00 H new ATOM 1467 N SER A 103 19.805 -18.009 1.102 1.00 0.00 N ATOM 1468 CA SER A 103 20.965 -17.659 1.913 1.00 0.00 C ATOM 1469 C SER A 103 21.512 -16.291 1.517 1.00 0.00 C ATOM 1470 O SER A 103 21.040 -15.674 0.563 1.00 0.00 O ATOM 1471 CB SER A 103 22.057 -18.720 1.764 1.00 0.00 C ATOM 1472 OG SER A 103 22.667 -18.648 0.487 1.00 0.00 O ATOM 0 H SER A 103 19.978 -18.739 0.411 1.00 0.00 H new ATOM 0 HA SER A 103 20.649 -17.617 2.955 1.00 0.00 H new ATOM 0 HB2 SER A 103 22.811 -18.582 2.539 1.00 0.00 H new ATOM 0 HB3 SER A 103 21.628 -19.711 1.910 1.00 0.00 H new ATOM 0 HG SER A 103 23.362 -19.335 0.417 1.00 0.00 H new ATOM 1478 N GLY A 104 22.511 -15.823 2.259 1.00 0.00 N ATOM 1479 CA GLY A 104 23.106 -14.531 1.971 1.00 0.00 C ATOM 1480 C GLY A 104 22.075 -13.493 1.574 1.00 0.00 C ATOM 1481 O GLY A 104 22.066 -12.382 2.104 1.00 0.00 O ATOM 0 H GLY A 104 22.919 -16.315 3.054 1.00 0.00 H new ATOM 0 HA2 GLY A 104 23.650 -14.181 2.849 1.00 0.00 H new ATOM 0 HA3 GLY A 104 23.834 -14.641 1.168 1.00 0.00 H new TER 1485 GLY A 104