USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 550 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 12 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 85 ASN : amide:sc= -0.0172 K(o=-0.017,f=-0.98) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 160:sc= 0.393 (180deg=0.221) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc=-0.00344 X(o=-0.0034,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0.42 K(o=0.42,f=-2.5!) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 64 HIS : no HD1:sc= -0.268 K(o=-0.27,f=-1.3) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.424 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -179:sc= 2.39 (180deg=2.37) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -163:sc= -0.0828 (180deg=-0.625) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= -0.177 K(o=-0.18,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.001 46.463 -5.743 1.00 0.00 N ATOM 2 CA MET A 1 5.768 46.163 -6.544 1.00 0.00 C ATOM 3 C MET A 1 4.554 45.821 -5.656 1.00 0.00 C ATOM 4 O MET A 1 3.651 46.648 -5.552 1.00 0.00 O ATOM 5 CB MET A 1 5.978 45.100 -7.656 1.00 0.00 C ATOM 6 CG MET A 1 6.802 45.596 -8.860 1.00 0.00 C ATOM 7 SD MET A 1 8.599 45.759 -8.624 1.00 0.00 S ATOM 8 CE MET A 1 9.106 44.017 -8.703 1.00 0.00 C ATOM 0 H1 MET A 1 7.842 46.353 -6.345 1.00 0.00 H new ATOM 0 H2 MET A 1 6.955 47.439 -5.388 1.00 0.00 H new ATOM 0 H3 MET A 1 7.062 45.805 -4.940 1.00 0.00 H new ATOM 0 HA MET A 1 5.544 47.095 -7.063 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.475 44.232 -7.223 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.003 44.765 -8.011 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.631 44.913 -9.692 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.411 46.568 -9.160 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.186 43.946 -8.575 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.609 43.457 -7.911 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.827 43.601 -9.671 1.00 0.00 H new ATOM 20 N ARG A 2 4.501 44.622 -5.036 1.00 0.00 N ATOM 21 CA ARG A 2 3.313 44.065 -4.333 1.00 0.00 C ATOM 22 C ARG A 2 2.021 44.150 -5.171 1.00 0.00 C ATOM 23 O ARG A 2 1.008 44.708 -4.741 1.00 0.00 O ATOM 24 CB ARG A 2 3.157 44.642 -2.906 1.00 0.00 C ATOM 25 CG ARG A 2 4.307 44.291 -1.942 1.00 0.00 C ATOM 26 CD ARG A 2 5.306 45.439 -1.763 1.00 0.00 C ATOM 27 NE ARG A 2 6.377 45.065 -0.814 1.00 0.00 N ATOM 28 CZ ARG A 2 7.168 45.880 -0.135 1.00 0.00 C ATOM 29 NH1 ARG A 2 7.094 47.176 -0.245 1.00 0.00 N ATOM 30 NH2 ARG A 2 8.063 45.397 0.678 1.00 0.00 N ATOM 0 H ARG A 2 5.304 43.993 -5.007 1.00 0.00 H new ATOM 0 HA ARG A 2 3.500 42.998 -4.209 1.00 0.00 H new ATOM 0 HB2 ARG A 2 3.076 45.727 -2.974 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.221 44.278 -2.482 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.891 44.023 -0.971 1.00 0.00 H new ATOM 0 HG3 ARG A 2 4.833 43.413 -2.317 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.743 45.699 -2.727 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.786 46.325 -1.399 1.00 0.00 H new ATOM 0 HE ARG A 2 6.522 44.066 -0.666 1.00 0.00 H new ATOM 0 HH11 ARG A 2 6.408 47.596 -0.872 1.00 0.00 H new ATOM 0 HH12 ARG A 2 7.722 47.770 0.296 1.00 0.00 H new ATOM 0 HH21 ARG A 2 8.156 44.388 0.793 1.00 0.00 H new ATOM 0 HH22 ARG A 2 8.671 46.028 1.200 1.00 0.00 H new ATOM 44 N GLY A 3 2.079 43.617 -6.394 1.00 0.00 N ATOM 45 CA GLY A 3 0.990 43.666 -7.383 1.00 0.00 C ATOM 46 C GLY A 3 1.042 42.547 -8.435 1.00 0.00 C ATOM 47 O GLY A 3 1.712 41.528 -8.241 1.00 0.00 O ATOM 0 H GLY A 3 2.905 43.126 -6.736 1.00 0.00 H new ATOM 0 HA2 GLY A 3 0.036 43.612 -6.859 1.00 0.00 H new ATOM 0 HA3 GLY A 3 1.020 44.629 -7.892 1.00 0.00 H new ATOM 51 N SER A 4 0.344 42.766 -9.555 1.00 0.00 N ATOM 52 CA SER A 4 0.039 41.788 -10.622 1.00 0.00 C ATOM 53 C SER A 4 -0.877 40.624 -10.192 1.00 0.00 C ATOM 54 O SER A 4 -0.950 40.249 -9.017 1.00 0.00 O ATOM 55 CB SER A 4 1.317 41.308 -11.324 1.00 0.00 C ATOM 56 OG SER A 4 0.998 40.717 -12.577 1.00 0.00 O ATOM 0 H SER A 4 -0.050 43.684 -9.759 1.00 0.00 H new ATOM 0 HA SER A 4 -0.559 42.334 -11.352 1.00 0.00 H new ATOM 0 HB2 SER A 4 1.996 42.148 -11.472 1.00 0.00 H new ATOM 0 HB3 SER A 4 1.836 40.585 -10.695 1.00 0.00 H new ATOM 0 HG SER A 4 1.821 40.416 -13.016 1.00 0.00 H new ATOM 62 N HIS A 5 -1.626 40.075 -11.156 1.00 0.00 N ATOM 63 CA HIS A 5 -2.657 39.042 -10.964 1.00 0.00 C ATOM 64 C HIS A 5 -2.875 38.238 -12.260 1.00 0.00 C ATOM 65 O HIS A 5 -3.034 38.824 -13.335 1.00 0.00 O ATOM 66 CB HIS A 5 -3.962 39.737 -10.536 1.00 0.00 C ATOM 67 CG HIS A 5 -5.125 38.807 -10.279 1.00 0.00 C ATOM 68 ND1 HIS A 5 -6.096 38.442 -11.216 1.00 0.00 N ATOM 69 CD2 HIS A 5 -5.448 38.260 -9.070 1.00 0.00 C ATOM 70 CE1 HIS A 5 -6.991 37.692 -10.546 1.00 0.00 C ATOM 71 NE2 HIS A 5 -6.623 37.563 -9.258 1.00 0.00 N ATOM 0 H HIS A 5 -1.528 40.349 -12.134 1.00 0.00 H new ATOM 0 HA HIS A 5 -2.336 38.341 -10.194 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -3.770 40.313 -9.631 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -4.249 40.448 -11.311 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -4.893 38.355 -8.149 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -7.878 37.256 -10.980 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -7.127 37.039 -8.543 1.00 0.00 H new ATOM 79 N HIS A 6 -2.884 36.901 -12.165 1.00 0.00 N ATOM 80 CA HIS A 6 -3.166 35.991 -13.287 1.00 0.00 C ATOM 81 C HIS A 6 -3.693 34.627 -12.813 1.00 0.00 C ATOM 82 O HIS A 6 -3.167 34.051 -11.857 1.00 0.00 O ATOM 83 CB HIS A 6 -1.899 35.791 -14.138 1.00 0.00 C ATOM 84 CG HIS A 6 -2.123 34.873 -15.317 1.00 0.00 C ATOM 85 ND1 HIS A 6 -3.062 35.074 -16.332 1.00 0.00 N ATOM 86 CD2 HIS A 6 -1.492 33.682 -15.529 1.00 0.00 C ATOM 87 CE1 HIS A 6 -2.971 34.001 -17.139 1.00 0.00 C ATOM 88 NE2 HIS A 6 -2.032 33.151 -16.680 1.00 0.00 N ATOM 0 H HIS A 6 -2.692 36.412 -11.291 1.00 0.00 H new ATOM 0 HA HIS A 6 -3.947 36.455 -13.889 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -1.553 36.760 -14.499 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -1.107 35.382 -13.511 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -0.720 33.242 -14.915 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -3.565 33.844 -18.027 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -1.766 32.266 -17.111 1.00 0.00 H new ATOM 96 N HIS A 7 -4.699 34.094 -13.518 1.00 0.00 N ATOM 97 CA HIS A 7 -5.286 32.758 -13.322 1.00 0.00 C ATOM 98 C HIS A 7 -5.661 32.115 -14.668 1.00 0.00 C ATOM 99 O HIS A 7 -6.100 32.806 -15.592 1.00 0.00 O ATOM 100 CB HIS A 7 -6.539 32.848 -12.431 1.00 0.00 C ATOM 101 CG HIS A 7 -6.245 33.043 -10.964 1.00 0.00 C ATOM 102 ND1 HIS A 7 -6.217 32.025 -10.006 1.00 0.00 N ATOM 103 CD2 HIS A 7 -5.983 34.234 -10.352 1.00 0.00 C ATOM 104 CE1 HIS A 7 -5.927 32.630 -8.841 1.00 0.00 C ATOM 105 NE2 HIS A 7 -5.780 33.955 -9.018 1.00 0.00 N ATOM 0 H HIS A 7 -5.149 34.605 -14.277 1.00 0.00 H new ATOM 0 HA HIS A 7 -4.537 32.135 -12.833 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -7.159 33.675 -12.778 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -7.124 31.937 -12.554 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -5.943 35.206 -10.822 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -5.826 32.122 -7.893 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -5.557 34.635 -8.291 1.00 0.00 H new ATOM 113 N HIS A 8 -5.530 30.785 -14.768 1.00 0.00 N ATOM 114 CA HIS A 8 -5.930 29.993 -15.943 1.00 0.00 C ATOM 115 C HIS A 8 -6.366 28.566 -15.556 1.00 0.00 C ATOM 116 O HIS A 8 -6.027 28.086 -14.471 1.00 0.00 O ATOM 117 CB HIS A 8 -4.772 29.977 -16.960 1.00 0.00 C ATOM 118 CG HIS A 8 -5.152 29.505 -18.348 1.00 0.00 C ATOM 119 ND1 HIS A 8 -6.436 29.540 -18.909 1.00 0.00 N ATOM 120 CD2 HIS A 8 -4.284 29.006 -19.274 1.00 0.00 C ATOM 121 CE1 HIS A 8 -6.309 29.049 -20.153 1.00 0.00 C ATOM 122 NE2 HIS A 8 -5.029 28.721 -20.400 1.00 0.00 N ATOM 0 H HIS A 8 -5.135 30.216 -14.019 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.801 30.462 -16.401 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -4.358 30.983 -17.034 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -3.980 29.334 -16.577 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -3.221 28.862 -19.150 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -7.121 28.934 -20.856 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -4.670 28.329 -21.270 1.00 0.00 H new ATOM 130 N HIS A 9 -7.089 27.893 -16.459 1.00 0.00 N ATOM 131 CA HIS A 9 -7.723 26.565 -16.328 1.00 0.00 C ATOM 132 C HIS A 9 -8.813 26.450 -15.244 1.00 0.00 C ATOM 133 O HIS A 9 -8.770 27.113 -14.206 1.00 0.00 O ATOM 134 CB HIS A 9 -6.663 25.452 -16.213 1.00 0.00 C ATOM 135 CG HIS A 9 -5.683 25.430 -17.363 1.00 0.00 C ATOM 136 ND1 HIS A 9 -5.972 25.014 -18.668 1.00 0.00 N ATOM 137 CD2 HIS A 9 -4.373 25.813 -17.300 1.00 0.00 C ATOM 138 CE1 HIS A 9 -4.829 25.159 -19.360 1.00 0.00 C ATOM 139 NE2 HIS A 9 -3.853 25.632 -18.563 1.00 0.00 N ATOM 0 H HIS A 9 -7.264 28.293 -17.381 1.00 0.00 H new ATOM 0 HA HIS A 9 -8.276 26.427 -17.257 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -6.113 25.580 -15.280 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -7.166 24.487 -16.157 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -3.849 26.184 -16.432 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -4.710 24.928 -20.408 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -2.892 25.824 -18.846 1.00 0.00 H new ATOM 147 N HIS A 10 -9.808 25.586 -15.490 1.00 0.00 N ATOM 148 CA HIS A 10 -10.986 25.385 -14.622 1.00 0.00 C ATOM 149 C HIS A 10 -11.560 23.949 -14.683 1.00 0.00 C ATOM 150 O HIS A 10 -12.750 23.732 -14.442 1.00 0.00 O ATOM 151 CB HIS A 10 -12.035 26.468 -14.951 1.00 0.00 C ATOM 152 CG HIS A 10 -12.403 26.563 -16.416 1.00 0.00 C ATOM 153 ND1 HIS A 10 -13.136 25.622 -17.148 1.00 0.00 N ATOM 154 CD2 HIS A 10 -12.050 27.586 -17.250 1.00 0.00 C ATOM 155 CE1 HIS A 10 -13.211 26.103 -18.402 1.00 0.00 C ATOM 156 NE2 HIS A 10 -12.566 27.280 -18.490 1.00 0.00 N ATOM 0 H HIS A 10 -9.820 24.991 -16.318 1.00 0.00 H new ATOM 0 HA HIS A 10 -10.673 25.496 -13.584 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -12.938 26.267 -14.375 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -11.655 27.435 -14.622 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -11.478 28.464 -16.988 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -13.717 25.614 -19.221 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -12.475 27.849 -19.332 1.00 0.00 H new ATOM 164 N GLY A 11 -10.719 22.957 -15.013 1.00 0.00 N ATOM 165 CA GLY A 11 -11.122 21.561 -15.238 1.00 0.00 C ATOM 166 C GLY A 11 -11.789 20.865 -14.037 1.00 0.00 C ATOM 167 O GLY A 11 -12.657 20.014 -14.249 1.00 0.00 O ATOM 0 H GLY A 11 -9.717 23.107 -15.133 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -11.811 21.531 -16.082 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.240 20.988 -15.525 1.00 0.00 H new ATOM 171 N SER A 12 -11.435 21.247 -12.801 1.00 0.00 N ATOM 172 CA SER A 12 -12.124 20.900 -11.543 1.00 0.00 C ATOM 173 C SER A 12 -12.581 19.426 -11.444 1.00 0.00 C ATOM 174 O SER A 12 -13.771 19.121 -11.306 1.00 0.00 O ATOM 175 CB SER A 12 -13.259 21.910 -11.306 1.00 0.00 C ATOM 176 OG SER A 12 -13.658 21.924 -9.941 1.00 0.00 O ATOM 0 H SER A 12 -10.619 21.837 -12.640 1.00 0.00 H new ATOM 0 HA SER A 12 -11.400 20.978 -10.732 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.930 22.906 -11.602 1.00 0.00 H new ATOM 0 HB3 SER A 12 -14.113 21.656 -11.935 1.00 0.00 H new ATOM 0 HG SER A 12 -14.380 22.576 -9.818 1.00 0.00 H new ATOM 182 N GLY A 58 -11.634 18.487 -11.602 1.00 0.00 N ATOM 183 CA GLY A 58 -11.918 17.053 -11.769 1.00 0.00 C ATOM 184 C GLY A 58 -12.552 16.392 -10.537 1.00 0.00 C ATOM 185 O GLY A 58 -11.869 16.129 -9.552 1.00 0.00 O ATOM 0 H GLY A 58 -10.638 18.705 -11.617 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -12.585 16.922 -12.621 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.989 16.535 -12.008 1.00 0.00 H new ATOM 189 N ALA A 59 -13.852 16.079 -10.606 1.00 0.00 N ATOM 190 CA ALA A 59 -14.660 15.596 -9.478 1.00 0.00 C ATOM 191 C ALA A 59 -14.946 14.075 -9.483 1.00 0.00 C ATOM 192 O ALA A 59 -15.676 13.578 -8.623 1.00 0.00 O ATOM 193 CB ALA A 59 -15.943 16.438 -9.436 1.00 0.00 C ATOM 0 H ALA A 59 -14.386 16.157 -11.472 1.00 0.00 H new ATOM 0 HA ALA A 59 -14.081 15.726 -8.563 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -16.569 16.106 -8.608 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -15.685 17.488 -9.297 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -16.487 16.319 -10.373 1.00 0.00 H new ATOM 199 N LEU A 60 -14.385 13.320 -10.441 1.00 0.00 N ATOM 200 CA LEU A 60 -14.732 11.903 -10.684 1.00 0.00 C ATOM 201 C LEU A 60 -14.169 10.888 -9.668 1.00 0.00 C ATOM 202 O LEU A 60 -14.560 9.719 -9.678 1.00 0.00 O ATOM 203 CB LEU A 60 -14.418 11.539 -12.142 1.00 0.00 C ATOM 204 CG LEU A 60 -12.951 11.576 -12.617 1.00 0.00 C ATOM 205 CD1 LEU A 60 -12.083 10.435 -12.081 1.00 0.00 C ATOM 206 CD2 LEU A 60 -12.964 11.468 -14.139 1.00 0.00 C ATOM 0 H LEU A 60 -13.671 13.676 -11.077 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.805 11.819 -10.515 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -14.797 10.533 -12.320 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -14.989 12.213 -12.781 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.518 12.503 -12.242 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.068 10.539 -12.465 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.065 10.472 -10.992 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.497 9.480 -12.404 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.941 11.491 -14.514 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.438 10.531 -14.433 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.523 12.305 -14.558 1.00 0.00 H new ATOM 218 N ALA A 61 -13.249 11.320 -8.805 1.00 0.00 N ATOM 219 CA ALA A 61 -12.577 10.463 -7.824 1.00 0.00 C ATOM 220 C ALA A 61 -13.530 9.899 -6.750 1.00 0.00 C ATOM 221 O ALA A 61 -14.408 10.609 -6.249 1.00 0.00 O ATOM 222 CB ALA A 61 -11.452 11.257 -7.161 1.00 0.00 C ATOM 0 H ALA A 61 -12.944 12.292 -8.766 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.180 9.602 -8.361 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.945 10.628 -6.429 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.738 11.579 -7.919 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -11.869 12.131 -6.661 1.00 0.00 H new ATOM 228 N ALA A 62 -13.309 8.642 -6.353 1.00 0.00 N ATOM 229 CA ALA A 62 -14.094 7.928 -5.346 1.00 0.00 C ATOM 230 C ALA A 62 -13.379 7.713 -4.000 1.00 0.00 C ATOM 231 O ALA A 62 -12.152 7.650 -3.926 1.00 0.00 O ATOM 232 CB ALA A 62 -14.592 6.605 -5.945 1.00 0.00 C ATOM 0 H ALA A 62 -12.553 8.076 -6.738 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.938 8.569 -5.091 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.178 6.066 -5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.213 6.811 -6.816 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.738 5.997 -6.244 1.00 0.00 H new ATOM 238 N LEU A 63 -14.174 7.577 -2.931 1.00 0.00 N ATOM 239 CA LEU A 63 -13.717 7.417 -1.545 1.00 0.00 C ATOM 240 C LEU A 63 -14.313 6.168 -0.874 1.00 0.00 C ATOM 241 O LEU A 63 -15.460 5.791 -1.131 1.00 0.00 O ATOM 242 CB LEU A 63 -14.091 8.663 -0.716 1.00 0.00 C ATOM 243 CG LEU A 63 -13.517 10.005 -1.204 1.00 0.00 C ATOM 244 CD1 LEU A 63 -14.025 11.137 -0.311 1.00 0.00 C ATOM 245 CD2 LEU A 63 -11.992 10.024 -1.161 1.00 0.00 C ATOM 0 H LEU A 63 -15.191 7.575 -3.011 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.634 7.297 -1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.178 8.744 -0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.761 8.503 0.310 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.844 10.137 -2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.617 12.086 -0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -15.114 11.173 -0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.707 10.960 0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.630 10.990 -1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.655 9.862 -0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.600 9.234 -1.801 1.00 0.00 H new ATOM 257 N HIS A 64 -13.553 5.572 0.048 1.00 0.00 N ATOM 258 CA HIS A 64 -14.053 4.607 1.035 1.00 0.00 C ATOM 259 C HIS A 64 -14.930 5.313 2.082 1.00 0.00 C ATOM 260 O HIS A 64 -14.609 6.424 2.512 1.00 0.00 O ATOM 261 CB HIS A 64 -12.863 3.930 1.724 1.00 0.00 C ATOM 262 CG HIS A 64 -12.076 2.970 0.869 1.00 0.00 C ATOM 263 ND1 HIS A 64 -12.544 1.742 0.394 1.00 0.00 N ATOM 264 CD2 HIS A 64 -10.758 3.102 0.542 1.00 0.00 C ATOM 265 CE1 HIS A 64 -11.494 1.167 -0.213 1.00 0.00 C ATOM 266 NE2 HIS A 64 -10.410 1.960 -0.147 1.00 0.00 N ATOM 0 H HIS A 64 -12.552 5.749 0.132 1.00 0.00 H new ATOM 0 HA HIS A 64 -14.660 3.858 0.526 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -12.187 4.705 2.086 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -13.230 3.393 2.599 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.114 3.937 0.777 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.517 0.198 -0.690 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.491 1.753 -0.538 1.00 0.00 H new ATOM 274 N ALA A 65 -16.013 4.667 2.526 1.00 0.00 N ATOM 275 CA ALA A 65 -17.024 5.285 3.398 1.00 0.00 C ATOM 276 C ALA A 65 -16.984 4.824 4.873 1.00 0.00 C ATOM 277 O ALA A 65 -17.580 5.481 5.730 1.00 0.00 O ATOM 278 CB ALA A 65 -18.397 5.024 2.765 1.00 0.00 C ATOM 0 H ALA A 65 -16.216 3.696 2.291 1.00 0.00 H new ATOM 0 HA ALA A 65 -16.806 6.351 3.459 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.174 5.469 3.386 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.429 5.468 1.770 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.564 3.950 2.689 1.00 0.00 H new ATOM 284 N GLU A 66 -16.305 3.713 5.185 1.00 0.00 N ATOM 285 CA GLU A 66 -16.346 3.048 6.504 1.00 0.00 C ATOM 286 C GLU A 66 -14.964 2.548 6.972 1.00 0.00 C ATOM 287 O GLU A 66 -14.050 2.338 6.168 1.00 0.00 O ATOM 288 CB GLU A 66 -17.339 1.870 6.469 1.00 0.00 C ATOM 289 CG GLU A 66 -18.795 2.301 6.244 1.00 0.00 C ATOM 290 CD GLU A 66 -19.749 1.097 6.360 1.00 0.00 C ATOM 291 OE1 GLU A 66 -20.014 0.420 5.336 1.00 0.00 O ATOM 292 OE2 GLU A 66 -20.250 0.819 7.478 1.00 0.00 O ATOM 0 H GLU A 66 -15.698 3.237 4.517 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.674 3.798 7.223 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.046 1.182 5.676 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.272 1.321 7.408 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -19.071 3.060 6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -18.896 2.756 5.259 1.00 0.00 H new ATOM 299 N GLY A 67 -14.819 2.333 8.288 1.00 0.00 N ATOM 300 CA GLY A 67 -13.599 1.802 8.913 1.00 0.00 C ATOM 301 C GLY A 67 -12.405 2.777 8.904 1.00 0.00 C ATOM 302 O GLY A 67 -12.587 3.976 8.666 1.00 0.00 O ATOM 0 H GLY A 67 -15.561 2.527 8.960 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.822 1.529 9.944 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.309 0.887 8.397 1.00 0.00 H new ATOM 306 N PRO A 68 -11.164 2.289 9.124 1.00 0.00 N ATOM 307 CA PRO A 68 -9.951 3.126 9.130 1.00 0.00 C ATOM 308 C PRO A 68 -9.700 3.865 7.804 1.00 0.00 C ATOM 309 O PRO A 68 -9.043 4.907 7.779 1.00 0.00 O ATOM 310 CB PRO A 68 -8.796 2.163 9.430 1.00 0.00 C ATOM 311 CG PRO A 68 -9.331 0.784 9.058 1.00 0.00 C ATOM 312 CD PRO A 68 -10.816 0.897 9.382 1.00 0.00 C ATOM 0 HA PRO A 68 -10.054 3.918 9.872 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.910 2.414 8.847 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.508 2.205 10.481 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.163 0.556 8.005 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.850 -0.005 9.636 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.406 0.223 8.761 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.013 0.629 10.420 1.00 0.00 H new ATOM 320 N LEU A 69 -10.240 3.331 6.702 1.00 0.00 N ATOM 321 CA LEU A 69 -10.149 3.888 5.351 1.00 0.00 C ATOM 322 C LEU A 69 -11.211 4.966 5.052 1.00 0.00 C ATOM 323 O LEU A 69 -11.134 5.602 4.002 1.00 0.00 O ATOM 324 CB LEU A 69 -10.177 2.704 4.359 1.00 0.00 C ATOM 325 CG LEU A 69 -8.798 2.254 3.832 1.00 0.00 C ATOM 326 CD1 LEU A 69 -7.765 2.030 4.938 1.00 0.00 C ATOM 327 CD2 LEU A 69 -8.934 0.931 3.076 1.00 0.00 C ATOM 0 H LEU A 69 -10.774 2.463 6.731 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.212 4.434 5.245 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.657 1.855 4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.801 2.978 3.508 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.452 3.064 3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.820 1.715 4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.616 2.958 5.490 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.122 1.257 5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.956 0.620 2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.328 0.168 3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.614 1.061 2.235 1.00 0.00 H new ATOM 339 N ALA A 70 -12.176 5.217 5.947 1.00 0.00 N ATOM 340 CA ALA A 70 -13.220 6.223 5.729 1.00 0.00 C ATOM 341 C ALA A 70 -12.627 7.603 5.366 1.00 0.00 C ATOM 342 O ALA A 70 -11.790 8.148 6.094 1.00 0.00 O ATOM 343 CB ALA A 70 -14.112 6.313 6.972 1.00 0.00 C ATOM 0 H ALA A 70 -12.253 4.729 6.839 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.824 5.911 4.877 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -14.888 7.061 6.810 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.575 5.344 7.158 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -13.508 6.598 7.833 1.00 0.00 H new ATOM 349 N GLY A 71 -13.071 8.167 4.237 1.00 0.00 N ATOM 350 CA GLY A 71 -12.591 9.447 3.705 1.00 0.00 C ATOM 351 C GLY A 71 -11.394 9.371 2.755 1.00 0.00 C ATOM 352 O GLY A 71 -10.951 10.417 2.277 1.00 0.00 O ATOM 0 H GLY A 71 -13.790 7.737 3.655 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.415 9.932 3.182 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.324 10.089 4.544 1.00 0.00 H new ATOM 356 N LEU A 72 -10.858 8.177 2.478 1.00 0.00 N ATOM 357 CA LEU A 72 -9.640 7.986 1.683 1.00 0.00 C ATOM 358 C LEU A 72 -9.937 7.425 0.270 1.00 0.00 C ATOM 359 O LEU A 72 -10.944 6.736 0.104 1.00 0.00 O ATOM 360 CB LEU A 72 -8.688 7.082 2.485 1.00 0.00 C ATOM 361 CG LEU A 72 -8.346 7.510 3.929 1.00 0.00 C ATOM 362 CD1 LEU A 72 -7.232 6.605 4.457 1.00 0.00 C ATOM 363 CD2 LEU A 72 -7.876 8.961 4.038 1.00 0.00 C ATOM 0 H LEU A 72 -11.266 7.301 2.806 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.165 8.951 1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.125 6.084 2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.754 6.999 1.929 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.262 7.420 4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.980 6.896 5.477 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.570 5.569 4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.351 6.705 3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.653 9.194 5.079 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.978 9.099 3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.661 9.626 3.677 1.00 0.00 H new ATOM 375 N PRO A 73 -9.087 7.678 -0.752 1.00 0.00 N ATOM 376 CA PRO A 73 -9.260 7.170 -2.125 1.00 0.00 C ATOM 377 C PRO A 73 -9.376 5.649 -2.190 1.00 0.00 C ATOM 378 O PRO A 73 -8.666 4.932 -1.485 1.00 0.00 O ATOM 379 CB PRO A 73 -8.039 7.661 -2.914 1.00 0.00 C ATOM 380 CG PRO A 73 -6.989 7.906 -1.833 1.00 0.00 C ATOM 381 CD PRO A 73 -7.825 8.400 -0.662 1.00 0.00 C ATOM 0 HA PRO A 73 -10.196 7.541 -2.544 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.704 6.918 -3.638 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.261 8.571 -3.471 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.443 6.996 -1.585 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.252 8.646 -2.145 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.327 8.202 0.287 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.984 9.477 -0.720 1.00 0.00 H new ATOM 389 N VAL A 74 -10.232 5.150 -3.083 1.00 0.00 N ATOM 390 CA VAL A 74 -10.346 3.707 -3.347 1.00 0.00 C ATOM 391 C VAL A 74 -9.193 3.219 -4.238 1.00 0.00 C ATOM 392 O VAL A 74 -8.710 2.101 -4.052 1.00 0.00 O ATOM 393 CB VAL A 74 -11.730 3.340 -3.923 1.00 0.00 C ATOM 394 CG1 VAL A 74 -11.910 1.826 -4.068 1.00 0.00 C ATOM 395 CG2 VAL A 74 -12.862 3.835 -3.013 1.00 0.00 C ATOM 0 H VAL A 74 -10.863 5.725 -3.641 1.00 0.00 H new ATOM 0 HA VAL A 74 -10.261 3.183 -2.395 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.777 3.820 -4.900 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -12.898 1.615 -4.477 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.147 1.432 -4.740 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.813 1.353 -3.091 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -13.824 3.561 -3.447 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.764 3.377 -2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.803 4.919 -2.916 1.00 0.00 H new ATOM 405 N THR A 75 -8.710 4.061 -5.161 1.00 0.00 N ATOM 406 CA THR A 75 -7.671 3.718 -6.153 1.00 0.00 C ATOM 407 C THR A 75 -6.585 4.793 -6.268 1.00 0.00 C ATOM 408 O THR A 75 -6.775 5.937 -5.847 1.00 0.00 O ATOM 409 CB THR A 75 -8.292 3.453 -7.542 1.00 0.00 C ATOM 410 OG1 THR A 75 -8.505 4.673 -8.224 1.00 0.00 O ATOM 411 CG2 THR A 75 -9.628 2.713 -7.483 1.00 0.00 C ATOM 0 H THR A 75 -9.036 5.024 -5.244 1.00 0.00 H new ATOM 0 HA THR A 75 -7.196 2.806 -5.791 1.00 0.00 H new ATOM 0 HB THR A 75 -7.576 2.820 -8.066 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.897 4.492 -9.104 1.00 0.00 H new ATOM 0 HG21 THR A 75 -10.005 2.562 -8.494 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.487 1.746 -7.000 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.346 3.303 -6.913 1.00 0.00 H new ATOM 419 N ARG A 76 -5.440 4.463 -6.891 1.00 0.00 N ATOM 420 CA ARG A 76 -4.393 5.465 -7.182 1.00 0.00 C ATOM 421 C ARG A 76 -4.873 6.552 -8.154 1.00 0.00 C ATOM 422 O ARG A 76 -4.458 7.697 -8.023 1.00 0.00 O ATOM 423 CB ARG A 76 -3.076 4.799 -7.635 1.00 0.00 C ATOM 424 CG ARG A 76 -3.150 4.036 -8.970 1.00 0.00 C ATOM 425 CD ARG A 76 -1.746 3.623 -9.424 1.00 0.00 C ATOM 426 NE ARG A 76 -1.786 2.858 -10.686 1.00 0.00 N ATOM 427 CZ ARG A 76 -0.777 2.665 -11.519 1.00 0.00 C ATOM 428 NH1 ARG A 76 0.410 3.152 -11.303 1.00 0.00 N ATOM 429 NH2 ARG A 76 -0.947 1.964 -12.605 1.00 0.00 N ATOM 0 H ARG A 76 -5.215 3.518 -7.202 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.178 5.980 -6.246 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.308 5.569 -7.717 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.752 4.107 -6.858 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.778 3.152 -8.857 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.616 4.663 -9.730 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.130 4.512 -9.556 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.274 3.021 -8.648 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.680 2.437 -10.940 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.589 3.706 -10.466 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.161 2.980 -11.971 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.861 1.562 -12.815 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.166 1.817 -13.245 1.00 0.00 H new ATOM 443 N SER A 77 -5.809 6.224 -9.043 1.00 0.00 N ATOM 444 CA SER A 77 -6.465 7.194 -9.933 1.00 0.00 C ATOM 445 C SER A 77 -7.364 8.151 -9.146 1.00 0.00 C ATOM 446 O SER A 77 -7.301 9.359 -9.374 1.00 0.00 O ATOM 447 CB SER A 77 -7.273 6.474 -11.020 1.00 0.00 C ATOM 448 OG SER A 77 -6.435 5.578 -11.740 1.00 0.00 O ATOM 0 H SER A 77 -6.140 5.268 -9.171 1.00 0.00 H new ATOM 0 HA SER A 77 -5.684 7.783 -10.413 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.099 5.926 -10.567 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.710 7.203 -11.702 1.00 0.00 H new ATOM 0 HG SER A 77 -6.960 5.122 -12.430 1.00 0.00 H new ATOM 454 N ASP A 78 -8.116 7.659 -8.150 1.00 0.00 N ATOM 455 CA ASP A 78 -8.869 8.536 -7.242 1.00 0.00 C ATOM 456 C ASP A 78 -7.919 9.452 -6.468 1.00 0.00 C ATOM 457 O ASP A 78 -8.142 10.655 -6.419 1.00 0.00 O ATOM 458 CB ASP A 78 -9.728 7.757 -6.237 1.00 0.00 C ATOM 459 CG ASP A 78 -10.739 6.803 -6.876 1.00 0.00 C ATOM 460 OD1 ASP A 78 -11.380 7.181 -7.885 1.00 0.00 O ATOM 461 OD2 ASP A 78 -10.948 5.722 -6.287 1.00 0.00 O ATOM 0 H ASP A 78 -8.218 6.663 -7.954 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.536 9.124 -7.873 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.071 7.185 -5.582 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.264 8.468 -5.608 1.00 0.00 H new ATOM 466 N ALA A 79 -6.821 8.917 -5.924 1.00 0.00 N ATOM 467 CA ALA A 79 -5.829 9.699 -5.183 1.00 0.00 C ATOM 468 C ALA A 79 -5.184 10.804 -6.046 1.00 0.00 C ATOM 469 O ALA A 79 -5.145 11.968 -5.648 1.00 0.00 O ATOM 470 CB ALA A 79 -4.787 8.717 -4.631 1.00 0.00 C ATOM 0 H ALA A 79 -6.595 7.924 -5.986 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.316 10.230 -4.365 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.030 9.266 -4.071 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.276 8.000 -3.972 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.314 8.186 -5.457 1.00 0.00 H new ATOM 476 N ARG A 80 -4.750 10.465 -7.265 1.00 0.00 N ATOM 477 CA ARG A 80 -4.177 11.395 -8.259 1.00 0.00 C ATOM 478 C ARG A 80 -5.163 12.502 -8.648 1.00 0.00 C ATOM 479 O ARG A 80 -4.784 13.672 -8.685 1.00 0.00 O ATOM 480 CB ARG A 80 -3.700 10.534 -9.447 1.00 0.00 C ATOM 481 CG ARG A 80 -2.982 11.316 -10.554 1.00 0.00 C ATOM 482 CD ARG A 80 -2.317 10.347 -11.540 1.00 0.00 C ATOM 483 NE ARG A 80 -1.796 11.050 -12.730 1.00 0.00 N ATOM 484 CZ ARG A 80 -0.536 11.308 -13.037 1.00 0.00 C ATOM 485 NH1 ARG A 80 0.450 11.125 -12.205 1.00 0.00 N ATOM 486 NH2 ARG A 80 -0.239 11.771 -14.217 1.00 0.00 N ATOM 0 H ARG A 80 -4.787 9.504 -7.604 1.00 0.00 H new ATOM 0 HA ARG A 80 -3.329 11.942 -7.847 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.029 9.761 -9.072 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -4.562 10.026 -9.880 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.694 11.951 -11.081 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.231 11.974 -10.116 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.502 9.823 -11.041 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -3.039 9.592 -11.851 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.495 11.377 -13.397 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.267 10.767 -11.268 1.00 0.00 H new ATOM 0 HH12 ARG A 80 1.405 11.340 -12.491 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.977 11.934 -14.902 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.732 11.971 -14.457 1.00 0.00 H new ATOM 500 N VAL A 81 -6.437 12.165 -8.848 1.00 0.00 N ATOM 501 CA VAL A 81 -7.494 13.142 -9.173 1.00 0.00 C ATOM 502 C VAL A 81 -7.933 13.958 -7.948 1.00 0.00 C ATOM 503 O VAL A 81 -8.186 15.149 -8.100 1.00 0.00 O ATOM 504 CB VAL A 81 -8.670 12.450 -9.896 1.00 0.00 C ATOM 505 CG1 VAL A 81 -9.869 13.377 -10.124 1.00 0.00 C ATOM 506 CG2 VAL A 81 -8.222 11.954 -11.277 1.00 0.00 C ATOM 0 H VAL A 81 -6.774 11.204 -8.790 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.076 13.872 -9.866 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.974 11.631 -9.244 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -10.660 12.829 -10.636 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.239 13.736 -9.164 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.562 14.226 -10.735 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.059 11.468 -11.778 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.883 12.800 -11.875 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.405 11.242 -11.160 1.00 0.00 H new ATOM 516 N LEU A 82 -7.934 13.411 -6.726 1.00 0.00 N ATOM 517 CA LEU A 82 -8.151 14.203 -5.502 1.00 0.00 C ATOM 518 C LEU A 82 -7.043 15.250 -5.310 1.00 0.00 C ATOM 519 O LEU A 82 -7.345 16.409 -5.024 1.00 0.00 O ATOM 520 CB LEU A 82 -8.241 13.270 -4.278 1.00 0.00 C ATOM 521 CG LEU A 82 -9.548 12.456 -4.193 1.00 0.00 C ATOM 522 CD1 LEU A 82 -9.371 11.318 -3.197 1.00 0.00 C ATOM 523 CD2 LEU A 82 -10.747 13.300 -3.763 1.00 0.00 C ATOM 0 H LEU A 82 -7.786 12.416 -6.555 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.094 14.740 -5.605 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.398 12.580 -4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.140 13.868 -3.372 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.752 12.077 -5.195 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.294 10.741 -3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.559 10.669 -3.526 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.133 11.727 -2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.637 12.673 -3.721 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.557 13.727 -2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.903 14.104 -4.483 1.00 0.00 H new ATOM 535 N ILE A 83 -5.775 14.882 -5.544 1.00 0.00 N ATOM 536 CA ILE A 83 -4.644 15.830 -5.512 1.00 0.00 C ATOM 537 C ILE A 83 -4.799 16.896 -6.607 1.00 0.00 C ATOM 538 O ILE A 83 -4.613 18.081 -6.329 1.00 0.00 O ATOM 539 CB ILE A 83 -3.290 15.091 -5.613 1.00 0.00 C ATOM 540 CG1 ILE A 83 -3.067 14.175 -4.384 1.00 0.00 C ATOM 541 CG2 ILE A 83 -2.133 16.108 -5.727 1.00 0.00 C ATOM 542 CD1 ILE A 83 -2.033 13.069 -4.624 1.00 0.00 C ATOM 0 H ILE A 83 -5.502 13.923 -5.760 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.655 16.343 -4.550 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.310 14.469 -6.508 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.745 14.785 -3.540 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.017 13.719 -4.104 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.185 15.574 -5.797 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.272 16.719 -6.619 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.124 16.749 -4.845 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.928 12.467 -3.722 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.363 12.435 -5.447 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.072 13.518 -4.874 1.00 0.00 H new ATOM 554 N PHE A 84 -5.200 16.511 -7.827 1.00 0.00 N ATOM 555 CA PHE A 84 -5.506 17.475 -8.893 1.00 0.00 C ATOM 556 C PHE A 84 -6.628 18.450 -8.498 1.00 0.00 C ATOM 557 O PHE A 84 -6.478 19.656 -8.673 1.00 0.00 O ATOM 558 CB PHE A 84 -5.891 16.737 -10.184 1.00 0.00 C ATOM 559 CG PHE A 84 -6.342 17.638 -11.326 1.00 0.00 C ATOM 560 CD1 PHE A 84 -5.673 18.848 -11.597 1.00 0.00 C ATOM 561 CD2 PHE A 84 -7.456 17.280 -12.112 1.00 0.00 C ATOM 562 CE1 PHE A 84 -6.077 19.669 -12.661 1.00 0.00 C ATOM 563 CE2 PHE A 84 -7.871 18.107 -13.173 1.00 0.00 C ATOM 564 CZ PHE A 84 -7.176 19.296 -13.452 1.00 0.00 C ATOM 0 H PHE A 84 -5.320 15.536 -8.100 1.00 0.00 H new ATOM 0 HA PHE A 84 -4.603 18.063 -9.059 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.036 16.150 -10.519 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.692 16.033 -9.958 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.840 19.147 -10.979 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -7.993 16.368 -11.899 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.544 20.585 -12.871 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -8.724 17.827 -13.773 1.00 0.00 H new ATOM 0 HZ PHE A 84 -7.487 19.923 -14.275 1.00 0.00 H new ATOM 574 N ASN A 85 -7.736 17.951 -7.944 1.00 0.00 N ATOM 575 CA ASN A 85 -8.886 18.783 -7.590 1.00 0.00 C ATOM 576 C ASN A 85 -8.571 19.736 -6.418 1.00 0.00 C ATOM 577 O ASN A 85 -8.984 20.899 -6.421 1.00 0.00 O ATOM 578 CB ASN A 85 -10.074 17.861 -7.275 1.00 0.00 C ATOM 579 CG ASN A 85 -11.412 18.585 -7.335 1.00 0.00 C ATOM 580 OD1 ASN A 85 -11.609 19.535 -8.082 1.00 0.00 O ATOM 581 ND2 ASN A 85 -12.384 18.157 -6.558 1.00 0.00 N ATOM 0 H ASN A 85 -7.860 16.962 -7.729 1.00 0.00 H new ATOM 0 HA ASN A 85 -9.139 19.426 -8.433 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -10.082 17.032 -7.982 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -9.942 17.432 -6.282 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -13.295 18.616 -6.580 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -12.227 17.366 -5.933 1.00 0.00 H new ATOM 588 N GLU A 86 -7.787 19.267 -5.438 1.00 0.00 N ATOM 589 CA GLU A 86 -7.261 20.126 -4.377 1.00 0.00 C ATOM 590 C GLU A 86 -6.331 21.199 -4.958 1.00 0.00 C ATOM 591 O GLU A 86 -6.556 22.376 -4.692 1.00 0.00 O ATOM 592 CB GLU A 86 -6.563 19.306 -3.281 1.00 0.00 C ATOM 593 CG GLU A 86 -6.263 20.209 -2.073 1.00 0.00 C ATOM 594 CD GLU A 86 -5.489 19.524 -0.928 1.00 0.00 C ATOM 595 OE1 GLU A 86 -5.499 18.276 -0.801 1.00 0.00 O ATOM 596 OE2 GLU A 86 -4.872 20.271 -0.128 1.00 0.00 O ATOM 0 H GLU A 86 -7.504 18.290 -5.361 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.104 20.633 -3.907 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.197 18.473 -2.977 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.638 18.878 -3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.690 21.071 -2.415 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.205 20.589 -1.679 1.00 0.00 H new ATOM 603 N TRP A 87 -5.343 20.843 -5.792 1.00 0.00 N ATOM 604 CA TRP A 87 -4.517 21.823 -6.491 1.00 0.00 C ATOM 605 C TRP A 87 -5.354 22.835 -7.287 1.00 0.00 C ATOM 606 O TRP A 87 -5.081 24.024 -7.176 1.00 0.00 O ATOM 607 CB TRP A 87 -3.511 21.119 -7.406 1.00 0.00 C ATOM 608 CG TRP A 87 -2.720 22.077 -8.239 1.00 0.00 C ATOM 609 CD1 TRP A 87 -1.602 22.723 -7.840 1.00 0.00 C ATOM 610 CD2 TRP A 87 -3.035 22.603 -9.567 1.00 0.00 C ATOM 611 NE1 TRP A 87 -1.213 23.617 -8.820 1.00 0.00 N ATOM 612 CE2 TRP A 87 -2.064 23.593 -9.900 1.00 0.00 C ATOM 613 CE3 TRP A 87 -4.060 22.371 -10.507 1.00 0.00 C ATOM 614 CZ2 TRP A 87 -2.106 24.318 -11.097 1.00 0.00 C ATOM 615 CZ3 TRP A 87 -4.120 23.098 -11.712 1.00 0.00 C ATOM 616 CH2 TRP A 87 -3.146 24.069 -12.007 1.00 0.00 C ATOM 0 H TRP A 87 -5.100 19.874 -5.996 1.00 0.00 H new ATOM 0 HA TRP A 87 -3.975 22.386 -5.731 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -2.829 20.523 -6.799 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -4.043 20.428 -8.060 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -1.092 22.565 -6.901 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -0.394 24.221 -8.750 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.812 21.624 -10.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -1.350 25.057 -11.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -4.919 22.909 -12.414 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -3.198 24.623 -12.933 1.00 0.00 H new ATOM 627 N GLU A 88 -6.391 22.416 -8.016 1.00 0.00 N ATOM 628 CA GLU A 88 -7.310 23.306 -8.737 1.00 0.00 C ATOM 629 C GLU A 88 -7.956 24.340 -7.799 1.00 0.00 C ATOM 630 O GLU A 88 -7.889 25.539 -8.077 1.00 0.00 O ATOM 631 CB GLU A 88 -8.397 22.464 -9.436 1.00 0.00 C ATOM 632 CG GLU A 88 -8.070 22.101 -10.887 1.00 0.00 C ATOM 633 CD GLU A 88 -8.422 23.254 -11.841 1.00 0.00 C ATOM 634 OE1 GLU A 88 -9.614 23.387 -12.203 1.00 0.00 O ATOM 635 OE2 GLU A 88 -7.522 24.039 -12.219 1.00 0.00 O ATOM 0 H GLU A 88 -6.622 21.428 -8.125 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.736 23.858 -9.482 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.551 21.546 -8.869 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.338 23.014 -9.414 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.010 21.863 -10.975 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.622 21.206 -11.174 1.00 0.00 H new ATOM 642 N GLU A 89 -8.530 23.906 -6.673 1.00 0.00 N ATOM 643 CA GLU A 89 -9.149 24.811 -5.693 1.00 0.00 C ATOM 644 C GLU A 89 -8.121 25.742 -5.017 1.00 0.00 C ATOM 645 O GLU A 89 -8.306 26.963 -4.981 1.00 0.00 O ATOM 646 CB GLU A 89 -9.920 23.968 -4.662 1.00 0.00 C ATOM 647 CG GLU A 89 -10.710 24.836 -3.679 1.00 0.00 C ATOM 648 CD GLU A 89 -11.569 23.961 -2.744 1.00 0.00 C ATOM 649 OE1 GLU A 89 -11.053 23.497 -1.695 1.00 0.00 O ATOM 650 OE2 GLU A 89 -12.767 23.736 -3.043 1.00 0.00 O ATOM 0 H GLU A 89 -8.580 22.921 -6.413 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.841 25.472 -6.215 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.604 23.297 -5.182 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.219 23.343 -4.109 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.023 25.442 -3.088 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.350 25.526 -4.229 1.00 0.00 H new ATOM 657 N ARG A 90 -7.000 25.181 -4.540 1.00 0.00 N ATOM 658 CA ARG A 90 -5.887 25.930 -3.931 1.00 0.00 C ATOM 659 C ARG A 90 -5.368 26.995 -4.890 1.00 0.00 C ATOM 660 O ARG A 90 -5.304 28.157 -4.518 1.00 0.00 O ATOM 661 CB ARG A 90 -4.724 24.990 -3.602 1.00 0.00 C ATOM 662 CG ARG A 90 -4.997 23.933 -2.533 1.00 0.00 C ATOM 663 CD ARG A 90 -4.731 24.409 -1.101 1.00 0.00 C ATOM 664 NE ARG A 90 -4.803 23.281 -0.151 1.00 0.00 N ATOM 665 CZ ARG A 90 -4.820 23.333 1.167 1.00 0.00 C ATOM 666 NH1 ARG A 90 -4.800 24.454 1.833 1.00 0.00 N ATOM 667 NH2 ARG A 90 -4.855 22.220 1.832 1.00 0.00 N ATOM 0 H ARG A 90 -6.837 24.174 -4.567 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.266 26.396 -3.021 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.424 24.482 -4.518 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.876 25.593 -3.279 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.036 23.613 -2.611 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.378 23.059 -2.735 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.747 24.875 -1.045 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.461 25.170 -0.825 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.845 22.349 -0.564 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.770 25.343 1.334 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.815 24.442 2.853 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.869 21.329 1.335 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.869 22.235 2.852 1.00 0.00 H new ATOM 681 N LYS A 91 -5.061 26.602 -6.128 1.00 0.00 N ATOM 682 CA LYS A 91 -4.621 27.487 -7.222 1.00 0.00 C ATOM 683 C LYS A 91 -5.632 28.604 -7.494 1.00 0.00 C ATOM 684 O LYS A 91 -5.218 29.756 -7.603 1.00 0.00 O ATOM 685 CB LYS A 91 -4.285 26.653 -8.473 1.00 0.00 C ATOM 686 CG LYS A 91 -3.904 27.460 -9.733 1.00 0.00 C ATOM 687 CD LYS A 91 -5.072 27.749 -10.694 1.00 0.00 C ATOM 688 CE LYS A 91 -5.663 26.439 -11.233 1.00 0.00 C ATOM 689 NZ LYS A 91 -6.781 26.656 -12.179 1.00 0.00 N ATOM 0 H LYS A 91 -5.112 25.624 -6.412 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.707 27.996 -6.916 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.460 25.983 -8.230 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.145 26.027 -8.711 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.466 28.408 -9.421 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.132 26.915 -10.276 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.845 28.317 -10.176 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.724 28.366 -11.523 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.878 25.870 -11.731 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.014 25.834 -10.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.151 25.737 -12.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.538 27.189 -11.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.441 27.195 -13.001 1.00 0.00 H new ATOM 703 N LYS A 92 -6.940 28.311 -7.541 1.00 0.00 N ATOM 704 CA LYS A 92 -7.988 29.345 -7.694 1.00 0.00 C ATOM 705 C LYS A 92 -8.011 30.349 -6.529 1.00 0.00 C ATOM 706 O LYS A 92 -8.262 31.532 -6.764 1.00 0.00 O ATOM 707 CB LYS A 92 -9.370 28.695 -7.888 1.00 0.00 C ATOM 708 CG LYS A 92 -9.552 28.145 -9.316 1.00 0.00 C ATOM 709 CD LYS A 92 -10.867 27.368 -9.497 1.00 0.00 C ATOM 710 CE LYS A 92 -12.105 28.266 -9.326 1.00 0.00 C ATOM 711 NZ LYS A 92 -13.374 27.519 -9.565 1.00 0.00 N ATOM 0 H LYS A 92 -7.305 27.361 -7.475 1.00 0.00 H new ATOM 0 HA LYS A 92 -7.739 29.915 -8.589 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.494 27.885 -7.169 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.149 29.429 -7.680 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -9.525 28.973 -10.025 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -8.714 27.491 -9.557 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -10.885 26.914 -10.488 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -10.908 26.555 -8.773 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -12.114 28.683 -8.319 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -12.042 29.106 -10.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -14.183 28.160 -9.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -13.378 27.142 -10.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -13.447 26.733 -8.888 1.00 0.00 H new ATOM 725 N SER A 93 -7.703 29.923 -5.300 1.00 0.00 N ATOM 726 CA SER A 93 -7.540 30.839 -4.151 1.00 0.00 C ATOM 727 C SER A 93 -6.182 31.573 -4.118 1.00 0.00 C ATOM 728 O SER A 93 -6.126 32.753 -3.760 1.00 0.00 O ATOM 729 CB SER A 93 -7.731 30.083 -2.831 1.00 0.00 C ATOM 730 OG SER A 93 -9.058 29.583 -2.735 1.00 0.00 O ATOM 0 H SER A 93 -7.559 28.940 -5.067 1.00 0.00 H new ATOM 0 HA SER A 93 -8.310 31.600 -4.277 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.020 29.259 -2.770 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.524 30.746 -1.991 1.00 0.00 H new ATOM 0 HG SER A 93 -9.166 29.101 -1.888 1.00 0.00 H new ATOM 736 N ASP A 94 -5.093 30.897 -4.492 1.00 0.00 N ATOM 737 CA ASP A 94 -3.691 31.300 -4.343 1.00 0.00 C ATOM 738 C ASP A 94 -2.835 30.641 -5.463 1.00 0.00 C ATOM 739 O ASP A 94 -2.516 29.451 -5.382 1.00 0.00 O ATOM 740 CB ASP A 94 -3.175 30.864 -2.958 1.00 0.00 C ATOM 741 CG ASP A 94 -3.746 31.723 -1.818 1.00 0.00 C ATOM 742 OD1 ASP A 94 -3.282 32.876 -1.644 1.00 0.00 O ATOM 743 OD2 ASP A 94 -4.625 31.238 -1.064 1.00 0.00 O ATOM 0 H ASP A 94 -5.174 29.985 -4.941 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.612 32.384 -4.429 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.438 29.820 -2.788 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.087 30.925 -2.944 1.00 0.00 H new ATOM 748 N PRO A 95 -2.443 31.381 -6.519 1.00 0.00 N ATOM 749 CA PRO A 95 -2.012 30.812 -7.809 1.00 0.00 C ATOM 750 C PRO A 95 -0.626 30.139 -7.837 1.00 0.00 C ATOM 751 O PRO A 95 -0.308 29.436 -8.800 1.00 0.00 O ATOM 752 CB PRO A 95 -2.067 31.989 -8.794 1.00 0.00 C ATOM 753 CG PRO A 95 -1.827 33.197 -7.890 1.00 0.00 C ATOM 754 CD PRO A 95 -2.616 32.818 -6.645 1.00 0.00 C ATOM 0 HA PRO A 95 -2.674 29.983 -8.059 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -1.304 31.905 -9.568 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.030 32.048 -9.301 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.768 33.342 -7.674 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.191 34.122 -8.338 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.241 33.340 -5.765 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.668 33.082 -6.748 1.00 0.00 H new ATOM 762 N TRP A 96 0.213 30.349 -6.817 1.00 0.00 N ATOM 763 CA TRP A 96 1.614 29.897 -6.777 1.00 0.00 C ATOM 764 C TRP A 96 1.812 28.366 -6.749 1.00 0.00 C ATOM 765 O TRP A 96 2.896 27.891 -7.109 1.00 0.00 O ATOM 766 CB TRP A 96 2.285 30.489 -5.529 1.00 0.00 C ATOM 767 CG TRP A 96 1.881 29.828 -4.244 1.00 0.00 C ATOM 768 CD1 TRP A 96 0.668 29.929 -3.661 1.00 0.00 C ATOM 769 CD2 TRP A 96 2.631 28.870 -3.431 1.00 0.00 C ATOM 770 NE1 TRP A 96 0.615 29.125 -2.537 1.00 0.00 N ATOM 771 CE2 TRP A 96 1.796 28.437 -2.356 1.00 0.00 C ATOM 772 CE3 TRP A 96 3.922 28.303 -3.509 1.00 0.00 C ATOM 773 CZ2 TRP A 96 2.220 27.496 -1.406 1.00 0.00 C ATOM 774 CZ3 TRP A 96 4.360 27.358 -2.558 1.00 0.00 C ATOM 775 CH2 TRP A 96 3.513 26.955 -1.509 1.00 0.00 C ATOM 0 H TRP A 96 -0.067 30.850 -5.974 1.00 0.00 H new ATOM 0 HA TRP A 96 2.062 30.244 -7.708 1.00 0.00 H new ATOM 0 HB2 TRP A 96 3.367 30.412 -5.640 1.00 0.00 H new ATOM 0 HB3 TRP A 96 2.045 31.551 -5.470 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -0.142 30.547 -4.019 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -0.194 29.051 -1.921 1.00 0.00 H new ATOM 0 HE3 TRP A 96 4.584 28.598 -4.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 1.562 27.191 -0.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 5.353 26.940 -2.635 1.00 0.00 H new ATOM 0 HH2 TRP A 96 3.856 26.231 -0.784 1.00 0.00 H new ATOM 786 N LEU A 97 0.820 27.595 -6.279 1.00 0.00 N ATOM 787 CA LEU A 97 1.000 26.185 -5.921 1.00 0.00 C ATOM 788 C LEU A 97 1.360 25.303 -7.140 1.00 0.00 C ATOM 789 O LEU A 97 0.825 25.500 -8.234 1.00 0.00 O ATOM 790 CB LEU A 97 -0.280 25.689 -5.217 1.00 0.00 C ATOM 791 CG LEU A 97 -0.172 24.288 -4.583 1.00 0.00 C ATOM 792 CD1 LEU A 97 0.818 24.248 -3.417 1.00 0.00 C ATOM 793 CD2 LEU A 97 -1.537 23.872 -4.056 1.00 0.00 C ATOM 0 H LEU A 97 -0.131 27.935 -6.137 1.00 0.00 H new ATOM 0 HA LEU A 97 1.849 26.102 -5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.549 26.404 -4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.095 25.682 -5.940 1.00 0.00 H new ATOM 0 HG LEU A 97 0.184 23.610 -5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.856 23.239 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.809 24.533 -3.771 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.495 24.943 -2.642 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.467 22.882 -3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.871 24.588 -3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.252 23.847 -4.878 1.00 0.00 H new ATOM 805 N ARG A 98 2.203 24.276 -6.941 1.00 0.00 N ATOM 806 CA ARG A 98 2.538 23.246 -7.950 1.00 0.00 C ATOM 807 C ARG A 98 1.797 21.920 -7.703 1.00 0.00 C ATOM 808 O ARG A 98 1.473 21.582 -6.564 1.00 0.00 O ATOM 809 CB ARG A 98 4.064 23.041 -8.010 1.00 0.00 C ATOM 810 CG ARG A 98 4.783 24.278 -8.574 1.00 0.00 C ATOM 811 CD ARG A 98 6.293 24.035 -8.685 1.00 0.00 C ATOM 812 NE ARG A 98 6.971 25.168 -9.349 1.00 0.00 N ATOM 813 CZ ARG A 98 7.432 26.279 -8.795 1.00 0.00 C ATOM 814 NH1 ARG A 98 7.330 26.516 -7.517 1.00 0.00 N ATOM 815 NH2 ARG A 98 8.009 27.184 -9.531 1.00 0.00 N ATOM 0 H ARG A 98 2.685 24.132 -6.053 1.00 0.00 H new ATOM 0 HA ARG A 98 2.197 23.607 -8.920 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.442 22.825 -7.011 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.290 22.174 -8.631 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.378 24.522 -9.556 1.00 0.00 H new ATOM 0 HG3 ARG A 98 4.596 25.137 -7.929 1.00 0.00 H new ATOM 0 HD2 ARG A 98 6.714 23.889 -7.690 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.476 23.119 -9.247 1.00 0.00 H new ATOM 0 HE ARG A 98 7.100 25.084 -10.357 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.882 25.833 -6.906 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.698 27.384 -7.128 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.107 27.038 -10.536 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.364 28.039 -9.103 1.00 0.00 H new ATOM 829 N LEU A 99 1.523 21.182 -8.783 1.00 0.00 N ATOM 830 CA LEU A 99 0.768 19.919 -8.789 1.00 0.00 C ATOM 831 C LEU A 99 1.752 18.729 -8.913 1.00 0.00 C ATOM 832 O LEU A 99 2.425 18.590 -9.936 1.00 0.00 O ATOM 833 CB LEU A 99 -0.247 19.998 -9.958 1.00 0.00 C ATOM 834 CG LEU A 99 -1.462 19.042 -9.950 1.00 0.00 C ATOM 835 CD1 LEU A 99 -2.096 19.024 -11.341 1.00 0.00 C ATOM 836 CD2 LEU A 99 -1.119 17.619 -9.580 1.00 0.00 C ATOM 0 H LEU A 99 1.832 21.456 -9.716 1.00 0.00 H new ATOM 0 HA LEU A 99 0.217 19.761 -7.862 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.629 21.018 -9.996 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.302 19.828 -10.884 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.142 19.424 -9.189 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.954 18.351 -11.341 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.424 20.030 -11.605 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.363 18.678 -12.070 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.023 17.011 -9.597 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.400 17.220 -10.296 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.686 17.597 -8.580 1.00 0.00 H new ATOM 848 N ASP A 100 1.830 17.863 -7.891 1.00 0.00 N ATOM 849 CA ASP A 100 2.711 16.678 -7.865 1.00 0.00 C ATOM 850 C ASP A 100 1.977 15.428 -7.333 1.00 0.00 C ATOM 851 O ASP A 100 1.500 15.414 -6.197 1.00 0.00 O ATOM 852 CB ASP A 100 3.959 16.971 -7.016 1.00 0.00 C ATOM 853 CG ASP A 100 4.911 17.967 -7.703 1.00 0.00 C ATOM 854 OD1 ASP A 100 5.668 17.541 -8.610 1.00 0.00 O ATOM 855 OD2 ASP A 100 4.935 19.160 -7.316 1.00 0.00 O ATOM 0 H ASP A 100 1.274 17.966 -7.042 1.00 0.00 H new ATOM 0 HA ASP A 100 3.014 16.464 -8.890 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.653 17.372 -6.050 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.490 16.039 -6.821 1.00 0.00 H new ATOM 860 N MET A 101 1.863 14.382 -8.166 1.00 0.00 N ATOM 861 CA MET A 101 1.071 13.166 -7.883 1.00 0.00 C ATOM 862 C MET A 101 1.546 11.928 -8.670 1.00 0.00 C ATOM 863 O MET A 101 0.775 11.250 -9.354 1.00 0.00 O ATOM 864 CB MET A 101 -0.446 13.453 -8.010 1.00 0.00 C ATOM 865 CG MET A 101 -0.875 14.487 -9.051 1.00 0.00 C ATOM 866 SD MET A 101 -0.570 14.078 -10.788 1.00 0.00 S ATOM 867 CE MET A 101 -2.078 14.759 -11.534 1.00 0.00 C ATOM 0 H MET A 101 2.326 14.353 -9.074 1.00 0.00 H new ATOM 0 HA MET A 101 1.251 12.894 -6.843 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.950 12.514 -8.239 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.811 13.782 -7.037 1.00 0.00 H new ATOM 0 HG2 MET A 101 -1.943 14.669 -8.928 1.00 0.00 H new ATOM 0 HG3 MET A 101 -0.364 15.424 -8.829 1.00 0.00 H new ATOM 0 HE1 MET A 101 -2.210 14.343 -12.533 1.00 0.00 H new ATOM 0 HE2 MET A 101 -2.938 14.500 -10.916 1.00 0.00 H new ATOM 0 HE3 MET A 101 -1.993 15.844 -11.601 1.00 0.00 H new ATOM 877 N SER A 102 2.838 11.618 -8.538 1.00 0.00 N ATOM 878 CA SER A 102 3.404 10.307 -8.905 1.00 0.00 C ATOM 879 C SER A 102 3.039 9.235 -7.864 1.00 0.00 C ATOM 880 O SER A 102 2.664 9.553 -6.734 1.00 0.00 O ATOM 881 CB SER A 102 4.922 10.438 -9.073 1.00 0.00 C ATOM 882 OG SER A 102 5.471 9.249 -9.623 1.00 0.00 O ATOM 0 H SER A 102 3.530 12.271 -8.171 1.00 0.00 H new ATOM 0 HA SER A 102 2.975 9.984 -9.854 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.149 11.284 -9.722 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.383 10.645 -8.107 1.00 0.00 H new ATOM 0 HG SER A 102 6.440 9.353 -9.724 1.00 0.00 H new ATOM 888 N ASP A 103 3.178 7.954 -8.210 1.00 0.00 N ATOM 889 CA ASP A 103 2.826 6.811 -7.351 1.00 0.00 C ATOM 890 C ASP A 103 3.432 6.919 -5.940 1.00 0.00 C ATOM 891 O ASP A 103 2.740 6.677 -4.953 1.00 0.00 O ATOM 892 CB ASP A 103 3.288 5.511 -8.021 1.00 0.00 C ATOM 893 CG ASP A 103 2.484 5.205 -9.294 1.00 0.00 C ATOM 894 OD1 ASP A 103 1.357 4.667 -9.183 1.00 0.00 O ATOM 895 OD2 ASP A 103 2.983 5.482 -10.412 1.00 0.00 O ATOM 0 H ASP A 103 3.547 7.671 -9.117 1.00 0.00 H new ATOM 0 HA ASP A 103 1.743 6.812 -7.231 1.00 0.00 H new ATOM 0 HB2 ASP A 103 4.346 5.587 -8.270 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.184 4.684 -7.319 1.00 0.00 H new ATOM 900 N LYS A 104 4.682 7.394 -5.829 1.00 0.00 N ATOM 901 CA LYS A 104 5.354 7.647 -4.539 1.00 0.00 C ATOM 902 C LYS A 104 4.631 8.702 -3.691 1.00 0.00 C ATOM 903 O LYS A 104 4.470 8.506 -2.488 1.00 0.00 O ATOM 904 CB LYS A 104 6.821 8.048 -4.780 1.00 0.00 C ATOM 905 CG LYS A 104 7.643 6.902 -5.392 1.00 0.00 C ATOM 906 CD LYS A 104 9.112 7.316 -5.573 1.00 0.00 C ATOM 907 CE LYS A 104 9.917 6.159 -6.180 1.00 0.00 C ATOM 908 NZ LYS A 104 11.351 6.522 -6.362 1.00 0.00 N ATOM 0 H LYS A 104 5.263 7.616 -6.638 1.00 0.00 H new ATOM 0 HA LYS A 104 5.322 6.719 -3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.855 8.912 -5.443 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.272 8.353 -3.836 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.585 6.024 -4.749 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.219 6.620 -6.356 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.174 8.191 -6.220 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.539 7.600 -4.611 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.842 5.285 -5.533 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.487 5.882 -7.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.863 5.716 -6.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.424 7.341 -6.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.768 6.762 -5.440 1.00 0.00 H new ATOM 922 N ALA A 105 4.123 9.777 -4.306 1.00 0.00 N ATOM 923 CA ALA A 105 3.307 10.786 -3.628 1.00 0.00 C ATOM 924 C ALA A 105 1.963 10.209 -3.171 1.00 0.00 C ATOM 925 O ALA A 105 1.524 10.479 -2.055 1.00 0.00 O ATOM 926 CB ALA A 105 3.145 12.005 -4.546 1.00 0.00 C ATOM 0 H ALA A 105 4.269 9.971 -5.297 1.00 0.00 H new ATOM 0 HA ALA A 105 3.814 11.109 -2.719 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.538 12.759 -4.045 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.126 12.422 -4.774 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.656 11.701 -5.471 1.00 0.00 H new ATOM 932 N ILE A 106 1.346 9.348 -3.988 1.00 0.00 N ATOM 933 CA ILE A 106 0.070 8.705 -3.624 1.00 0.00 C ATOM 934 C ILE A 106 0.273 7.749 -2.453 1.00 0.00 C ATOM 935 O ILE A 106 -0.470 7.827 -1.482 1.00 0.00 O ATOM 936 CB ILE A 106 -0.597 8.039 -4.853 1.00 0.00 C ATOM 937 CG1 ILE A 106 -1.378 9.089 -5.669 1.00 0.00 C ATOM 938 CG2 ILE A 106 -1.587 6.919 -4.477 1.00 0.00 C ATOM 939 CD1 ILE A 106 -0.508 10.191 -6.260 1.00 0.00 C ATOM 0 H ILE A 106 1.705 9.078 -4.904 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.630 9.470 -3.288 1.00 0.00 H new ATOM 0 HB ILE A 106 0.218 7.603 -5.430 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.906 8.585 -6.478 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.134 9.542 -5.028 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.018 6.495 -5.384 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.062 6.139 -3.926 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.382 7.330 -3.855 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.133 10.888 -6.818 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.001 10.723 -5.456 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.232 9.751 -6.929 1.00 0.00 H new ATOM 951 N PHE A 107 1.303 6.905 -2.494 1.00 0.00 N ATOM 952 CA PHE A 107 1.562 5.950 -1.408 1.00 0.00 C ATOM 953 C PHE A 107 1.997 6.649 -0.104 1.00 0.00 C ATOM 954 O PHE A 107 1.635 6.198 0.982 1.00 0.00 O ATOM 955 CB PHE A 107 2.590 4.890 -1.826 1.00 0.00 C ATOM 956 CG PHE A 107 2.305 4.130 -3.111 1.00 0.00 C ATOM 957 CD1 PHE A 107 0.982 3.872 -3.519 1.00 0.00 C ATOM 958 CD2 PHE A 107 3.376 3.644 -3.887 1.00 0.00 C ATOM 959 CE1 PHE A 107 0.730 3.161 -4.700 1.00 0.00 C ATOM 960 CE2 PHE A 107 3.123 2.919 -5.066 1.00 0.00 C ATOM 961 CZ PHE A 107 1.799 2.682 -5.477 1.00 0.00 C ATOM 0 H PHE A 107 1.972 6.860 -3.263 1.00 0.00 H new ATOM 0 HA PHE A 107 0.616 5.447 -1.206 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.559 5.378 -1.928 1.00 0.00 H new ATOM 0 HB3 PHE A 107 2.681 4.166 -1.016 1.00 0.00 H new ATOM 0 HD1 PHE A 107 0.157 4.224 -2.918 1.00 0.00 H new ATOM 0 HD2 PHE A 107 4.394 3.828 -3.576 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.288 2.981 -5.014 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.946 2.544 -5.656 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.604 2.134 -6.387 1.00 0.00 H new ATOM 971 N ARG A 108 2.723 7.778 -0.192 1.00 0.00 N ATOM 972 CA ARG A 108 3.105 8.596 0.975 1.00 0.00 C ATOM 973 C ARG A 108 1.898 9.289 1.624 1.00 0.00 C ATOM 974 O ARG A 108 1.797 9.309 2.851 1.00 0.00 O ATOM 975 CB ARG A 108 4.203 9.594 0.560 1.00 0.00 C ATOM 976 CG ARG A 108 4.813 10.327 1.765 1.00 0.00 C ATOM 977 CD ARG A 108 5.971 11.235 1.336 1.00 0.00 C ATOM 978 NE ARG A 108 6.632 11.851 2.505 1.00 0.00 N ATOM 979 CZ ARG A 108 6.308 12.973 3.127 1.00 0.00 C ATOM 980 NH1 ARG A 108 5.306 13.719 2.752 1.00 0.00 N ATOM 981 NH2 ARG A 108 6.998 13.372 4.158 1.00 0.00 N ATOM 0 H ARG A 108 3.063 8.151 -1.078 1.00 0.00 H new ATOM 0 HA ARG A 108 3.506 7.938 1.746 1.00 0.00 H new ATOM 0 HB2 ARG A 108 4.990 9.063 0.025 1.00 0.00 H new ATOM 0 HB3 ARG A 108 3.784 10.324 -0.132 1.00 0.00 H new ATOM 0 HG2 ARG A 108 4.045 10.922 2.258 1.00 0.00 H new ATOM 0 HG3 ARG A 108 5.169 9.599 2.494 1.00 0.00 H new ATOM 0 HD2 ARG A 108 6.699 10.656 0.768 1.00 0.00 H new ATOM 0 HD3 ARG A 108 5.597 12.016 0.674 1.00 0.00 H new ATOM 0 HE ARG A 108 7.438 11.349 2.879 1.00 0.00 H new ATOM 0 HH11 ARG A 108 4.738 13.445 1.951 1.00 0.00 H new ATOM 0 HH12 ARG A 108 5.091 14.577 3.260 1.00 0.00 H new ATOM 0 HH21 ARG A 108 7.790 12.819 4.487 1.00 0.00 H new ATOM 0 HH22 ARG A 108 6.747 14.237 4.636 1.00 0.00 H new ATOM 995 N ARG A 109 0.968 9.821 0.815 1.00 0.00 N ATOM 996 CA ARG A 109 -0.283 10.448 1.297 1.00 0.00 C ATOM 997 C ARG A 109 -1.306 9.421 1.804 1.00 0.00 C ATOM 998 O ARG A 109 -1.988 9.673 2.798 1.00 0.00 O ATOM 999 CB ARG A 109 -0.896 11.296 0.169 1.00 0.00 C ATOM 1000 CG ARG A 109 -0.098 12.583 -0.093 1.00 0.00 C ATOM 1001 CD ARG A 109 -0.607 13.270 -1.365 1.00 0.00 C ATOM 1002 NE ARG A 109 0.071 14.562 -1.596 1.00 0.00 N ATOM 1003 CZ ARG A 109 -0.297 15.759 -1.171 1.00 0.00 C ATOM 1004 NH1 ARG A 109 -1.356 15.942 -0.435 1.00 0.00 N ATOM 1005 NH2 ARG A 109 0.404 16.808 -1.485 1.00 0.00 N ATOM 0 H ARG A 109 1.060 9.830 -0.201 1.00 0.00 H new ATOM 0 HA ARG A 109 -0.027 11.080 2.148 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -0.938 10.704 -0.746 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -1.923 11.554 0.429 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -0.193 13.258 0.757 1.00 0.00 H new ATOM 0 HG3 ARG A 109 0.961 12.348 -0.196 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -0.445 12.616 -2.222 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -1.682 13.432 -1.286 1.00 0.00 H new ATOM 0 HE ARG A 109 0.926 14.527 -2.150 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -1.934 15.146 -0.167 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -1.607 16.881 -0.127 1.00 0.00 H new ATOM 0 HH21 ARG A 109 1.240 16.709 -2.061 1.00 0.00 H new ATOM 0 HH22 ARG A 109 0.118 17.730 -1.156 1.00 0.00 H new ATOM 1019 N TYR A 110 -1.389 8.272 1.131 1.00 0.00 N ATOM 1020 CA TYR A 110 -2.418 7.245 1.306 1.00 0.00 C ATOM 1021 C TYR A 110 -1.771 5.840 1.365 1.00 0.00 C ATOM 1022 O TYR A 110 -1.620 5.174 0.334 1.00 0.00 O ATOM 1023 CB TYR A 110 -3.435 7.379 0.159 1.00 0.00 C ATOM 1024 CG TYR A 110 -4.010 8.771 -0.039 1.00 0.00 C ATOM 1025 CD1 TYR A 110 -4.910 9.303 0.901 1.00 0.00 C ATOM 1026 CD2 TYR A 110 -3.640 9.529 -1.166 1.00 0.00 C ATOM 1027 CE1 TYR A 110 -5.463 10.583 0.702 1.00 0.00 C ATOM 1028 CE2 TYR A 110 -4.196 10.809 -1.374 1.00 0.00 C ATOM 1029 CZ TYR A 110 -5.113 11.337 -0.438 1.00 0.00 C ATOM 1030 OH TYR A 110 -5.661 12.571 -0.623 1.00 0.00 O ATOM 0 H TYR A 110 -0.708 8.020 0.415 1.00 0.00 H new ATOM 0 HA TYR A 110 -2.944 7.381 2.251 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -2.955 7.067 -0.768 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -4.257 6.687 0.341 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -5.178 8.730 1.776 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -2.928 9.130 -1.874 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -6.157 10.988 1.424 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -3.921 11.383 -2.246 1.00 0.00 H new ATOM 0 HH TYR A 110 -5.317 12.960 -1.454 1.00 0.00 H new ATOM 1040 N PRO A 111 -1.359 5.364 2.559 1.00 0.00 N ATOM 1041 CA PRO A 111 -0.507 4.176 2.700 1.00 0.00 C ATOM 1042 C PRO A 111 -1.191 2.849 2.335 1.00 0.00 C ATOM 1043 O PRO A 111 -0.504 1.847 2.124 1.00 0.00 O ATOM 1044 CB PRO A 111 -0.023 4.198 4.155 1.00 0.00 C ATOM 1045 CG PRO A 111 -1.132 4.951 4.889 1.00 0.00 C ATOM 1046 CD PRO A 111 -1.567 5.990 3.859 1.00 0.00 C ATOM 0 HA PRO A 111 0.316 4.223 1.987 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.107 3.190 4.550 1.00 0.00 H new ATOM 0 HB3 PRO A 111 0.937 4.705 4.251 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.953 4.291 5.170 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -0.768 5.416 5.805 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -2.612 6.266 3.998 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -0.980 6.904 3.952 1.00 0.00 H new ATOM 1054 N HIS A 112 -2.524 2.826 2.218 1.00 0.00 N ATOM 1055 CA HIS A 112 -3.297 1.640 1.829 1.00 0.00 C ATOM 1056 C HIS A 112 -3.283 1.342 0.313 1.00 0.00 C ATOM 1057 O HIS A 112 -3.779 0.288 -0.091 1.00 0.00 O ATOM 1058 CB HIS A 112 -4.720 1.759 2.398 1.00 0.00 C ATOM 1059 CG HIS A 112 -5.564 2.837 1.768 1.00 0.00 C ATOM 1060 ND1 HIS A 112 -5.347 4.215 1.880 1.00 0.00 N ATOM 1061 CD2 HIS A 112 -6.624 2.616 0.939 1.00 0.00 C ATOM 1062 CE1 HIS A 112 -6.295 4.787 1.119 1.00 0.00 C ATOM 1063 NE2 HIS A 112 -7.083 3.856 0.559 1.00 0.00 N ATOM 0 H HIS A 112 -3.106 3.645 2.394 1.00 0.00 H new ATOM 0 HA HIS A 112 -2.806 0.769 2.264 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -5.227 0.802 2.275 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -4.653 1.949 3.469 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -7.024 1.658 0.640 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -6.408 5.852 0.977 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -7.885 4.037 -0.045 1.00 0.00 H new ATOM 1071 N LEU A 113 -2.714 2.225 -0.528 1.00 0.00 N ATOM 1072 CA LEU A 113 -2.662 2.029 -1.989 1.00 0.00 C ATOM 1073 C LEU A 113 -1.454 1.195 -2.468 1.00 0.00 C ATOM 1074 O LEU A 113 -1.583 0.507 -3.487 1.00 0.00 O ATOM 1075 CB LEU A 113 -2.728 3.382 -2.744 1.00 0.00 C ATOM 1076 CG LEU A 113 -4.117 4.027 -2.919 1.00 0.00 C ATOM 1077 CD1 LEU A 113 -5.119 3.144 -3.655 1.00 0.00 C ATOM 1078 CD2 LEU A 113 -4.746 4.367 -1.587 1.00 0.00 C ATOM 0 H LEU A 113 -2.278 3.093 -0.215 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.549 1.444 -2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.090 4.093 -2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.296 3.237 -3.734 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.918 4.920 -3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -6.072 3.667 -3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.741 2.917 -4.652 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.262 2.216 -3.101 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.724 4.820 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.862 3.458 -0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.107 5.069 -1.051 1.00 0.00 H new ATOM 1090 N ARG A 114 -0.305 1.235 -1.767 1.00 0.00 N ATOM 1091 CA ARG A 114 0.894 0.450 -2.120 1.00 0.00 C ATOM 1092 C ARG A 114 0.670 -1.071 -2.025 1.00 0.00 C ATOM 1093 O ARG A 114 0.158 -1.553 -0.985 1.00 0.00 O ATOM 1094 CB ARG A 114 2.091 0.903 -1.271 1.00 0.00 C ATOM 1095 CG ARG A 114 3.420 0.396 -1.853 1.00 0.00 C ATOM 1096 CD ARG A 114 4.616 0.971 -1.088 1.00 0.00 C ATOM 1097 NE ARG A 114 5.894 0.518 -1.674 1.00 0.00 N ATOM 1098 CZ ARG A 114 7.107 0.819 -1.254 1.00 0.00 C ATOM 1099 NH1 ARG A 114 7.317 1.587 -0.223 1.00 0.00 N ATOM 1100 NH2 ARG A 114 8.150 0.349 -1.876 1.00 0.00 N ATOM 1101 OXT ARG A 114 1.024 -1.786 -2.991 1.00 0.00 O ATOM 0 H ARG A 114 -0.181 1.815 -0.937 1.00 0.00 H new ATOM 0 HA ARG A 114 1.113 0.647 -3.169 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.108 1.992 -1.217 1.00 0.00 H new ATOM 0 HB3 ARG A 114 1.975 0.535 -0.252 1.00 0.00 H new ATOM 0 HG2 ARG A 114 3.447 -0.693 -1.810 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.489 0.675 -2.904 1.00 0.00 H new ATOM 0 HD2 ARG A 114 4.572 2.060 -1.104 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.564 0.665 -0.043 1.00 0.00 H new ATOM 0 HE ARG A 114 5.832 -0.092 -2.489 1.00 0.00 H new ATOM 0 HH11 ARG A 114 6.527 1.979 0.290 1.00 0.00 H new ATOM 0 HH12 ARG A 114 8.271 1.797 0.071 1.00 0.00 H new ATOM 0 HH21 ARG A 114 8.030 -0.254 -2.690 1.00 0.00 H new ATOM 0 HH22 ARG A 114 9.087 0.583 -1.549 1.00 0.00 H new TER 1115 ARG A 114