USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 596 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+ 180:sc= 0 (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= 0.0817 USER MOD Single : A 6 SER OG : rot 33:sc= 0.15 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.0517 K(o=-0.052,f=-1.1) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0.398 K(o=0.4,f=-2.4) USER MOD Single : A 30 GLN : amide:sc= -0.04 X(o=-0.04,f=-0.1) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0168 USER MOD Single : A 36 THR OG1 : rot 87:sc= 0.439 USER MOD Single : A 37 GLN : amide:sc= -0.0724 X(o=-0.072,f=-0.41) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0399 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 55 MET CE :methyl -130:sc= 0 (180deg=-0.0458) USER MOD Single : A 56 THR OG1 : rot 44:sc= 0.113 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -145:sc= -1 (180deg=-1.37) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -37:sc= 0.199 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.984 -3.061 4.276 1.00 0.00 N ATOM 2 CA GLY A 1 -23.838 -3.369 3.117 1.00 0.00 C ATOM 3 C GLY A 1 -25.152 -2.613 3.146 1.00 0.00 C ATOM 4 O GLY A 1 -26.119 -3.095 3.741 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.099 -3.603 4.209 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.767 -2.044 4.287 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.482 -3.319 5.152 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.302 -3.124 2.200 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.039 -4.440 3.093 1.00 0.00 H new ATOM 8 N SER A 2 -25.211 -1.466 2.474 1.00 0.00 N ATOM 9 CA SER A 2 -26.417 -0.709 2.171 1.00 0.00 C ATOM 10 C SER A 2 -26.340 -0.227 0.716 1.00 0.00 C ATOM 11 O SER A 2 -25.271 -0.278 0.085 1.00 0.00 O ATOM 12 CB SER A 2 -26.588 0.444 3.179 1.00 0.00 C ATOM 13 OG SER A 2 -25.365 1.083 3.503 1.00 0.00 O ATOM 0 H SER A 2 -24.371 -1.018 2.107 1.00 0.00 H new ATOM 0 HA SER A 2 -27.304 -1.335 2.270 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.278 1.180 2.767 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.042 0.057 4.091 1.00 0.00 H new ATOM 0 HG SER A 2 -25.533 1.806 4.143 1.00 0.00 H new ATOM 19 N SER A 3 -27.471 0.233 0.177 1.00 0.00 N ATOM 20 CA SER A 3 -27.571 0.727 -1.190 1.00 0.00 C ATOM 21 C SER A 3 -27.446 2.251 -1.221 1.00 0.00 C ATOM 22 O SER A 3 -27.623 2.927 -0.204 1.00 0.00 O ATOM 23 CB SER A 3 -28.892 0.242 -1.808 1.00 0.00 C ATOM 24 OG SER A 3 -28.599 -0.614 -2.894 1.00 0.00 O ATOM 0 H SER A 3 -28.353 0.272 0.688 1.00 0.00 H new ATOM 0 HA SER A 3 -26.750 0.331 -1.787 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.487 -0.285 -1.062 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.485 1.092 -2.146 1.00 0.00 H new ATOM 0 HG SER A 3 -29.435 -0.931 -3.295 1.00 0.00 H new ATOM 30 N GLY A 4 -27.172 2.803 -2.397 1.00 0.00 N ATOM 31 CA GLY A 4 -26.982 4.223 -2.667 1.00 0.00 C ATOM 32 C GLY A 4 -26.363 4.363 -4.054 1.00 0.00 C ATOM 33 O GLY A 4 -26.013 3.350 -4.669 1.00 0.00 O ATOM 0 H GLY A 4 -27.070 2.236 -3.239 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.935 4.750 -2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.333 4.670 -1.914 1.00 0.00 H new ATOM 37 N SER A 5 -26.231 5.583 -4.566 1.00 0.00 N ATOM 38 CA SER A 5 -25.727 5.851 -5.909 1.00 0.00 C ATOM 39 C SER A 5 -24.191 5.770 -5.967 1.00 0.00 C ATOM 40 O SER A 5 -23.532 6.757 -6.300 1.00 0.00 O ATOM 41 CB SER A 5 -26.315 7.189 -6.402 1.00 0.00 C ATOM 42 OG SER A 5 -26.439 8.152 -5.364 1.00 0.00 O ATOM 0 H SER A 5 -26.476 6.428 -4.050 1.00 0.00 H new ATOM 0 HA SER A 5 -26.060 5.076 -6.600 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.679 7.591 -7.191 1.00 0.00 H new ATOM 0 HB3 SER A 5 -27.295 7.009 -6.844 1.00 0.00 H new ATOM 0 HG SER A 5 -26.814 8.980 -5.729 1.00 0.00 H new ATOM 48 N SER A 6 -23.609 4.602 -5.670 1.00 0.00 N ATOM 49 CA SER A 6 -22.192 4.370 -5.920 1.00 0.00 C ATOM 50 C SER A 6 -22.018 4.125 -7.424 1.00 0.00 C ATOM 51 O SER A 6 -22.427 3.075 -7.931 1.00 0.00 O ATOM 52 CB SER A 6 -21.613 3.262 -5.017 1.00 0.00 C ATOM 53 OG SER A 6 -22.110 1.943 -5.221 1.00 0.00 O ATOM 0 H SER A 6 -24.100 3.809 -5.258 1.00 0.00 H new ATOM 0 HA SER A 6 -21.603 5.246 -5.648 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.532 3.243 -5.154 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.798 3.538 -3.979 1.00 0.00 H new ATOM 0 HG SER A 6 -22.328 1.818 -6.168 1.00 0.00 H new ATOM 59 N GLY A 7 -21.471 5.096 -8.152 1.00 0.00 N ATOM 60 CA GLY A 7 -21.123 4.949 -9.557 1.00 0.00 C ATOM 61 C GLY A 7 -19.841 4.131 -9.717 1.00 0.00 C ATOM 62 O GLY A 7 -19.182 3.784 -8.733 1.00 0.00 O ATOM 0 H GLY A 7 -21.255 6.019 -7.774 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.940 4.461 -10.089 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.991 5.932 -10.008 1.00 0.00 H new ATOM 66 N VAL A 8 -19.478 3.824 -10.961 1.00 0.00 N ATOM 67 CA VAL A 8 -18.321 3.029 -11.337 1.00 0.00 C ATOM 68 C VAL A 8 -17.478 3.854 -12.314 1.00 0.00 C ATOM 69 O VAL A 8 -17.707 5.051 -12.493 1.00 0.00 O ATOM 70 CB VAL A 8 -18.783 1.663 -11.891 1.00 0.00 C ATOM 71 CG1 VAL A 8 -19.429 0.810 -10.793 1.00 0.00 C ATOM 72 CG2 VAL A 8 -19.761 1.809 -13.065 1.00 0.00 C ATOM 0 H VAL A 8 -20.012 4.141 -11.770 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.689 2.795 -10.481 1.00 0.00 H new ATOM 0 HB VAL A 8 -17.886 1.163 -12.257 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -19.744 -0.145 -11.213 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -18.707 0.635 -9.996 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -20.296 1.333 -10.389 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -20.056 0.821 -13.418 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -20.645 2.355 -12.736 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -19.278 2.355 -13.875 1.00 0.00 H new ATOM 82 N ARG A 9 -16.474 3.229 -12.924 1.00 0.00 N ATOM 83 CA ARG A 9 -15.416 3.884 -13.698 1.00 0.00 C ATOM 84 C ARG A 9 -14.807 5.032 -12.892 1.00 0.00 C ATOM 85 O ARG A 9 -14.711 6.174 -13.350 1.00 0.00 O ATOM 86 CB ARG A 9 -15.922 4.291 -15.090 1.00 0.00 C ATOM 87 CG ARG A 9 -16.585 3.138 -15.846 1.00 0.00 C ATOM 88 CD ARG A 9 -16.365 3.223 -17.356 1.00 0.00 C ATOM 89 NE ARG A 9 -14.981 2.852 -17.688 1.00 0.00 N ATOM 90 CZ ARG A 9 -14.349 3.079 -18.841 1.00 0.00 C ATOM 91 NH1 ARG A 9 -14.930 3.745 -19.828 1.00 0.00 N ATOM 92 NH2 ARG A 9 -13.111 2.648 -19.008 1.00 0.00 N ATOM 0 H ARG A 9 -16.369 2.215 -12.893 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.606 3.179 -13.883 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -16.636 5.108 -14.986 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.086 4.670 -15.678 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.189 2.192 -15.477 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -17.655 3.139 -15.638 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -17.061 2.560 -17.870 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.572 4.235 -17.705 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.450 2.372 -16.962 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -15.881 4.097 -19.716 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.426 3.906 -20.700 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.641 2.143 -18.257 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.625 2.820 -19.888 1.00 0.00 H new ATOM 106 N VAL A 10 -14.399 4.694 -11.677 1.00 0.00 N ATOM 107 CA VAL A 10 -13.702 5.525 -10.712 1.00 0.00 C ATOM 108 C VAL A 10 -12.533 4.699 -10.186 1.00 0.00 C ATOM 109 O VAL A 10 -12.606 3.464 -10.143 1.00 0.00 O ATOM 110 CB VAL A 10 -14.669 6.040 -9.616 1.00 0.00 C ATOM 111 CG1 VAL A 10 -15.730 5.003 -9.255 1.00 0.00 C ATOM 112 CG2 VAL A 10 -13.985 6.486 -8.310 1.00 0.00 C ATOM 0 H VAL A 10 -14.561 3.755 -11.314 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.309 6.436 -11.163 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.123 6.918 -10.075 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -16.386 5.407 -8.483 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.318 4.761 -10.140 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.245 4.100 -8.883 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.740 6.830 -7.603 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.441 5.646 -7.879 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.290 7.298 -8.522 1.00 0.00 H new ATOM 122 N LEU A 11 -11.483 5.378 -9.738 1.00 0.00 N ATOM 123 CA LEU A 11 -10.433 4.885 -8.887 1.00 0.00 C ATOM 124 C LEU A 11 -10.004 6.065 -8.013 1.00 0.00 C ATOM 125 O LEU A 11 -10.066 7.232 -8.408 1.00 0.00 O ATOM 126 CB LEU A 11 -9.264 4.322 -9.714 1.00 0.00 C ATOM 127 CG LEU A 11 -8.590 5.336 -10.670 1.00 0.00 C ATOM 128 CD1 LEU A 11 -7.071 5.306 -10.470 1.00 0.00 C ATOM 129 CD2 LEU A 11 -8.949 5.038 -12.128 1.00 0.00 C ATOM 0 H LEU A 11 -11.343 6.358 -9.984 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.777 4.056 -8.269 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.509 3.933 -9.030 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.627 3.478 -10.301 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.959 6.334 -10.435 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.601 6.021 -11.145 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.834 5.570 -9.439 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.696 4.305 -10.683 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.463 5.765 -12.778 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.611 4.035 -12.388 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.029 5.102 -12.257 1.00 0.00 H new ATOM 141 N SER A 12 -9.580 5.736 -6.810 1.00 0.00 N ATOM 142 CA SER A 12 -8.794 6.524 -5.886 1.00 0.00 C ATOM 143 C SER A 12 -7.725 5.599 -5.305 1.00 0.00 C ATOM 144 O SER A 12 -7.864 4.373 -5.409 1.00 0.00 O ATOM 145 CB SER A 12 -9.726 7.087 -4.819 1.00 0.00 C ATOM 146 OG SER A 12 -10.737 7.874 -5.436 1.00 0.00 O ATOM 0 H SER A 12 -9.799 4.820 -6.418 1.00 0.00 H new ATOM 0 HA SER A 12 -8.301 7.370 -6.364 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.179 6.274 -4.252 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.161 7.693 -4.111 1.00 0.00 H new ATOM 0 HG SER A 12 -11.336 8.234 -4.749 1.00 0.00 H new ATOM 152 N TYR A 13 -6.643 6.141 -4.751 1.00 0.00 N ATOM 153 CA TYR A 13 -5.648 5.329 -4.062 1.00 0.00 C ATOM 154 C TYR A 13 -5.944 5.525 -2.581 1.00 0.00 C ATOM 155 O TYR A 13 -5.571 6.553 -2.019 1.00 0.00 O ATOM 156 CB TYR A 13 -4.233 5.793 -4.457 1.00 0.00 C ATOM 157 CG TYR A 13 -3.672 5.245 -5.769 1.00 0.00 C ATOM 158 CD1 TYR A 13 -4.471 5.111 -6.925 1.00 0.00 C ATOM 159 CD2 TYR A 13 -2.313 4.878 -5.838 1.00 0.00 C ATOM 160 CE1 TYR A 13 -3.932 4.601 -8.117 1.00 0.00 C ATOM 161 CE2 TYR A 13 -1.760 4.367 -7.028 1.00 0.00 C ATOM 162 CZ TYR A 13 -2.576 4.213 -8.170 1.00 0.00 C ATOM 163 OH TYR A 13 -2.075 3.663 -9.310 1.00 0.00 O ATOM 0 H TYR A 13 -6.435 7.139 -4.767 1.00 0.00 H new ATOM 0 HA TYR A 13 -5.692 4.272 -4.323 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.236 6.881 -4.517 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.549 5.520 -3.654 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.510 5.404 -6.892 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.687 4.990 -4.965 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.555 4.506 -8.994 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.716 4.094 -7.067 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.126 3.453 -9.182 1.00 0.00 H new ATOM 173 N ASP A 14 -6.618 4.572 -1.937 1.00 0.00 N ATOM 174 CA ASP A 14 -7.044 4.759 -0.547 1.00 0.00 C ATOM 175 C ASP A 14 -5.849 4.481 0.351 1.00 0.00 C ATOM 176 O ASP A 14 -5.172 3.457 0.205 1.00 0.00 O ATOM 177 CB ASP A 14 -8.252 3.889 -0.169 1.00 0.00 C ATOM 178 CG ASP A 14 -8.894 4.390 1.129 1.00 0.00 C ATOM 179 OD1 ASP A 14 -8.202 4.475 2.166 1.00 0.00 O ATOM 180 OD2 ASP A 14 -10.100 4.723 1.120 1.00 0.00 O ATOM 0 H ASP A 14 -6.878 3.675 -2.347 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.384 5.786 -0.416 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.986 3.907 -0.975 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.937 2.853 -0.048 1.00 0.00 H new ATOM 185 N LYS A 15 -5.552 5.435 1.236 1.00 0.00 N ATOM 186 CA LYS A 15 -4.405 5.370 2.125 1.00 0.00 C ATOM 187 C LYS A 15 -4.750 4.852 3.508 1.00 0.00 C ATOM 188 O LYS A 15 -3.816 4.481 4.212 1.00 0.00 O ATOM 189 CB LYS A 15 -3.680 6.728 2.208 1.00 0.00 C ATOM 190 CG LYS A 15 -4.571 7.949 2.446 1.00 0.00 C ATOM 191 CD LYS A 15 -3.663 9.183 2.470 1.00 0.00 C ATOM 192 CE LYS A 15 -4.426 10.484 2.670 1.00 0.00 C ATOM 193 NZ LYS A 15 -4.725 10.764 4.089 1.00 0.00 N ATOM 0 H LYS A 15 -6.111 6.280 1.352 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.724 4.642 1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.945 6.677 3.011 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.128 6.881 1.280 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.318 8.038 1.658 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.111 7.852 3.388 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.931 9.072 3.270 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.107 9.235 1.534 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.843 11.308 2.258 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.360 10.441 2.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.245 11.661 4.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.305 9.994 4.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.836 10.834 4.624 1.00 0.00 H new ATOM 207 N GLU A 16 -6.022 4.809 3.894 1.00 0.00 N ATOM 208 CA GLU A 16 -6.459 4.531 5.256 1.00 0.00 C ATOM 209 C GLU A 16 -7.099 3.152 5.363 1.00 0.00 C ATOM 210 O GLU A 16 -6.969 2.499 6.403 1.00 0.00 O ATOM 211 CB GLU A 16 -7.466 5.605 5.697 1.00 0.00 C ATOM 212 CG GLU A 16 -6.801 6.898 6.174 1.00 0.00 C ATOM 213 CD GLU A 16 -6.225 6.815 7.593 1.00 0.00 C ATOM 214 OE1 GLU A 16 -5.916 5.709 8.103 1.00 0.00 O ATOM 215 OE2 GLU A 16 -6.081 7.891 8.217 1.00 0.00 O ATOM 0 H GLU A 16 -6.796 4.971 3.250 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.585 4.548 5.907 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.132 5.833 4.865 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.085 5.205 6.500 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.000 7.159 5.482 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.532 7.706 6.136 1.00 0.00 H new ATOM 222 N LYS A 17 -7.815 2.683 4.339 1.00 0.00 N ATOM 223 CA LYS A 17 -8.334 1.320 4.374 1.00 0.00 C ATOM 224 C LYS A 17 -7.198 0.361 4.029 1.00 0.00 C ATOM 225 O LYS A 17 -6.298 0.690 3.252 1.00 0.00 O ATOM 226 CB LYS A 17 -9.580 1.172 3.487 1.00 0.00 C ATOM 227 CG LYS A 17 -9.271 0.852 2.024 1.00 0.00 C ATOM 228 CD LYS A 17 -10.487 0.996 1.097 1.00 0.00 C ATOM 229 CE LYS A 17 -11.550 -0.081 1.357 1.00 0.00 C ATOM 230 NZ LYS A 17 -12.692 0.040 0.427 1.00 0.00 N ATOM 0 H LYS A 17 -8.043 3.213 3.498 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.684 1.066 5.375 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.211 0.383 3.895 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.156 2.096 3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.478 1.513 1.675 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.890 -0.167 1.955 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.931 1.982 1.235 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.159 0.936 0.059 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.100 -1.068 1.254 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.907 0.001 2.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.388 -0.704 0.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.137 0.973 0.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.355 -0.063 -0.552 1.00 0.00 H new ATOM 244 N LEU A 18 -7.239 -0.833 4.607 1.00 0.00 N ATOM 245 CA LEU A 18 -6.247 -1.858 4.429 1.00 0.00 C ATOM 246 C LEU A 18 -6.459 -2.461 3.050 1.00 0.00 C ATOM 247 O LEU A 18 -7.379 -3.263 2.878 1.00 0.00 O ATOM 248 CB LEU A 18 -6.399 -2.890 5.555 1.00 0.00 C ATOM 249 CG LEU A 18 -6.560 -2.329 6.979 1.00 0.00 C ATOM 250 CD1 LEU A 18 -5.491 -1.289 7.319 1.00 0.00 C ATOM 251 CD2 LEU A 18 -7.956 -1.793 7.325 1.00 0.00 C ATOM 0 H LEU A 18 -7.995 -1.113 5.232 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.231 -1.468 4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.265 -3.513 5.333 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.526 -3.542 5.541 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.420 -3.207 7.610 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.648 -0.924 8.334 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.504 -1.745 7.246 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.558 -0.456 6.619 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.960 -1.422 8.350 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.213 -0.981 6.645 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.688 -2.594 7.226 1.00 0.00 H new ATOM 263 N ASN A 19 -5.674 -2.032 2.064 1.00 0.00 N ATOM 264 CA ASN A 19 -5.911 -2.365 0.653 1.00 0.00 C ATOM 265 C ASN A 19 -4.643 -2.718 -0.120 1.00 0.00 C ATOM 266 O ASN A 19 -4.729 -2.986 -1.318 1.00 0.00 O ATOM 267 CB ASN A 19 -6.671 -1.223 -0.046 1.00 0.00 C ATOM 268 CG ASN A 19 -8.017 -1.721 -0.550 1.00 0.00 C ATOM 269 OD1 ASN A 19 -8.915 -1.986 0.243 1.00 0.00 O ATOM 270 ND2 ASN A 19 -8.222 -1.823 -1.847 1.00 0.00 N ATOM 0 H ASN A 19 -4.855 -1.444 2.216 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.522 -3.268 0.653 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.818 -0.395 0.648 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.081 -0.840 -0.879 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.131 -2.124 -2.197 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.471 -1.601 -2.501 1.00 0.00 H new ATOM 277 N TRP A 20 -3.481 -2.723 0.540 1.00 0.00 N ATOM 278 CA TRP A 20 -2.187 -2.915 -0.096 1.00 0.00 C ATOM 279 C TRP A 20 -1.469 -4.072 0.591 1.00 0.00 C ATOM 280 O TRP A 20 -1.250 -4.051 1.805 1.00 0.00 O ATOM 281 CB TRP A 20 -1.410 -1.595 -0.060 1.00 0.00 C ATOM 282 CG TRP A 20 -2.092 -0.476 -0.789 1.00 0.00 C ATOM 283 CD1 TRP A 20 -3.045 0.342 -0.285 1.00 0.00 C ATOM 284 CD2 TRP A 20 -1.898 -0.057 -2.171 1.00 0.00 C ATOM 285 NE1 TRP A 20 -3.491 1.201 -1.273 1.00 0.00 N ATOM 286 CE2 TRP A 20 -2.785 1.024 -2.449 1.00 0.00 C ATOM 287 CE3 TRP A 20 -1.033 -0.473 -3.204 1.00 0.00 C ATOM 288 CZ2 TRP A 20 -2.794 1.670 -3.695 1.00 0.00 C ATOM 289 CZ3 TRP A 20 -1.030 0.166 -4.460 1.00 0.00 C ATOM 290 CH2 TRP A 20 -1.908 1.240 -4.700 1.00 0.00 C ATOM 0 H TRP A 20 -3.419 -2.591 1.549 1.00 0.00 H new ATOM 0 HA TRP A 20 -2.289 -3.186 -1.147 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -1.258 -1.301 0.979 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -0.423 -1.752 -0.495 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.403 0.326 0.734 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -4.244 1.878 -1.150 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -0.359 -1.298 -3.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -3.474 2.488 -3.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -0.356 -0.167 -5.236 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -1.901 1.736 -5.659 1.00 0.00 H new ATOM 301 N LEU A 21 -1.185 -5.119 -0.177 1.00 0.00 N ATOM 302 CA LEU A 21 -0.492 -6.336 0.222 1.00 0.00 C ATOM 303 C LEU A 21 0.989 -6.192 -0.130 1.00 0.00 C ATOM 304 O LEU A 21 1.360 -5.355 -0.959 1.00 0.00 O ATOM 305 CB LEU A 21 -1.083 -7.524 -0.557 1.00 0.00 C ATOM 306 CG LEU A 21 -2.578 -7.806 -0.298 1.00 0.00 C ATOM 307 CD1 LEU A 21 -3.096 -8.759 -1.368 1.00 0.00 C ATOM 308 CD2 LEU A 21 -2.826 -8.426 1.080 1.00 0.00 C ATOM 0 H LEU A 21 -1.452 -5.140 -1.161 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.607 -6.503 1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.944 -7.343 -1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.513 -8.419 -0.309 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.104 -6.852 -0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.152 -8.964 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.973 -8.304 -2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.534 -9.692 -1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.893 -8.605 1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.288 -9.371 1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.474 -7.745 1.854 1.00 0.00 H new ATOM 320 N TYR A 22 1.838 -7.036 0.461 1.00 0.00 N ATOM 321 CA TYR A 22 3.247 -7.167 0.099 1.00 0.00 C ATOM 322 C TYR A 22 3.731 -8.594 0.432 1.00 0.00 C ATOM 323 O TYR A 22 3.011 -9.316 1.125 1.00 0.00 O ATOM 324 CB TYR A 22 4.051 -6.064 0.808 1.00 0.00 C ATOM 325 CG TYR A 22 4.272 -6.242 2.298 1.00 0.00 C ATOM 326 CD1 TYR A 22 5.306 -7.090 2.711 1.00 0.00 C ATOM 327 CD2 TYR A 22 3.553 -5.507 3.264 1.00 0.00 C ATOM 328 CE1 TYR A 22 5.571 -7.281 4.066 1.00 0.00 C ATOM 329 CE2 TYR A 22 3.904 -5.606 4.630 1.00 0.00 C ATOM 330 CZ TYR A 22 4.920 -6.504 5.035 1.00 0.00 C ATOM 331 OH TYR A 22 5.325 -6.613 6.328 1.00 0.00 O ATOM 0 H TYR A 22 1.558 -7.658 1.219 1.00 0.00 H new ATOM 0 HA TYR A 22 3.396 -7.030 -0.972 1.00 0.00 H new ATOM 0 HB2 TYR A 22 5.025 -5.987 0.325 1.00 0.00 H new ATOM 0 HB3 TYR A 22 3.541 -5.114 0.649 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.905 -7.602 1.972 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.736 -4.870 2.960 1.00 0.00 H new ATOM 0 HE1 TYR A 22 6.283 -8.033 4.372 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.397 -4.997 5.364 1.00 0.00 H new ATOM 0 HH TYR A 22 4.788 -6.017 6.890 1.00 0.00 H new ATOM 341 N LYS A 23 4.939 -9.006 0.001 1.00 0.00 N ATOM 342 CA LYS A 23 5.649 -10.237 0.423 1.00 0.00 C ATOM 343 C LYS A 23 6.852 -9.853 1.294 1.00 0.00 C ATOM 344 O LYS A 23 7.656 -9.042 0.835 1.00 0.00 O ATOM 345 CB LYS A 23 6.155 -11.064 -0.785 1.00 0.00 C ATOM 346 CG LYS A 23 5.751 -12.542 -0.719 1.00 0.00 C ATOM 347 CD LYS A 23 6.578 -13.403 -1.686 1.00 0.00 C ATOM 348 CE LYS A 23 6.025 -14.831 -1.703 1.00 0.00 C ATOM 349 NZ LYS A 23 6.619 -15.674 -2.765 1.00 0.00 N ATOM 0 H LYS A 23 5.473 -8.468 -0.681 1.00 0.00 H new ATOM 0 HA LYS A 23 4.940 -10.850 0.980 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.764 -10.628 -1.704 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.242 -10.993 -0.836 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.883 -12.910 0.299 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.692 -12.641 -0.959 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.544 -12.977 -2.689 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.624 -13.411 -1.379 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.208 -15.296 -0.734 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.944 -14.794 -1.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.204 -16.627 -2.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.423 -15.251 -3.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.647 -15.738 -2.623 1.00 0.00 H new ATOM 363 N ASP A 24 6.981 -10.383 2.507 1.00 0.00 N ATOM 364 CA ASP A 24 8.081 -10.076 3.444 1.00 0.00 C ATOM 365 C ASP A 24 9.302 -10.948 3.098 1.00 0.00 C ATOM 366 O ASP A 24 9.195 -11.794 2.199 1.00 0.00 O ATOM 367 CB ASP A 24 7.603 -10.287 4.902 1.00 0.00 C ATOM 368 CG ASP A 24 7.978 -9.175 5.899 1.00 0.00 C ATOM 369 OD1 ASP A 24 8.323 -8.054 5.470 1.00 0.00 O ATOM 370 OD2 ASP A 24 7.840 -9.422 7.120 1.00 0.00 O ATOM 0 H ASP A 24 6.313 -11.055 2.884 1.00 0.00 H new ATOM 0 HA ASP A 24 8.380 -9.032 3.350 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.518 -10.393 4.897 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.014 -11.229 5.266 1.00 0.00 H new ATOM 375 N PRO A 25 10.473 -10.823 3.759 1.00 0.00 N ATOM 376 CA PRO A 25 11.612 -11.686 3.476 1.00 0.00 C ATOM 377 C PRO A 25 11.335 -13.143 3.876 1.00 0.00 C ATOM 378 O PRO A 25 11.940 -14.051 3.307 1.00 0.00 O ATOM 379 CB PRO A 25 12.812 -11.074 4.198 1.00 0.00 C ATOM 380 CG PRO A 25 12.233 -10.156 5.271 1.00 0.00 C ATOM 381 CD PRO A 25 10.764 -9.972 4.899 1.00 0.00 C ATOM 0 HA PRO A 25 11.816 -11.737 2.407 1.00 0.00 H new ATOM 0 HB2 PRO A 25 13.437 -11.849 4.643 1.00 0.00 H new ATOM 0 HB3 PRO A 25 13.441 -10.516 3.505 1.00 0.00 H new ATOM 0 HG2 PRO A 25 12.335 -10.598 6.262 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.755 -9.200 5.293 1.00 0.00 H new ATOM 0 HD2 PRO A 25 10.123 -10.233 5.741 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.562 -8.929 4.656 1.00 0.00 H new ATOM 389 N GLN A 26 10.331 -13.395 4.727 1.00 0.00 N ATOM 390 CA GLN A 26 9.918 -14.742 5.104 1.00 0.00 C ATOM 391 C GLN A 26 9.367 -15.538 3.911 1.00 0.00 C ATOM 392 O GLN A 26 9.281 -16.765 4.010 1.00 0.00 O ATOM 393 CB GLN A 26 8.829 -14.705 6.196 1.00 0.00 C ATOM 394 CG GLN A 26 9.290 -14.177 7.559 1.00 0.00 C ATOM 395 CD GLN A 26 9.258 -12.664 7.613 1.00 0.00 C ATOM 396 OE1 GLN A 26 10.264 -12.022 7.342 1.00 0.00 O ATOM 397 NE2 GLN A 26 8.116 -12.071 7.915 1.00 0.00 N ATOM 0 H GLN A 26 9.782 -12.660 5.173 1.00 0.00 H new ATOM 0 HA GLN A 26 10.815 -15.235 5.479 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.005 -14.085 5.844 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.436 -15.713 6.329 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.650 -14.583 8.342 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.302 -14.527 7.762 1.00 0.00 H new ATOM 0 HE21 GLN A 26 7.293 -12.632 8.137 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.057 -11.053 7.926 1.00 0.00 H new ATOM 406 N GLY A 27 8.986 -14.879 2.811 1.00 0.00 N ATOM 407 CA GLY A 27 8.371 -15.522 1.657 1.00 0.00 C ATOM 408 C GLY A 27 6.878 -15.774 1.858 1.00 0.00 C ATOM 409 O GLY A 27 6.303 -16.608 1.158 1.00 0.00 O ATOM 0 H GLY A 27 9.100 -13.871 2.701 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.516 -14.897 0.776 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.874 -16.469 1.462 1.00 0.00 H new ATOM 413 N LEU A 28 6.254 -15.070 2.804 1.00 0.00 N ATOM 414 CA LEU A 28 4.813 -15.058 3.018 1.00 0.00 C ATOM 415 C LEU A 28 4.295 -13.711 2.552 1.00 0.00 C ATOM 416 O LEU A 28 5.027 -12.721 2.629 1.00 0.00 O ATOM 417 CB LEU A 28 4.467 -15.224 4.511 1.00 0.00 C ATOM 418 CG LEU A 28 4.703 -16.613 5.134 1.00 0.00 C ATOM 419 CD1 LEU A 28 4.398 -17.777 4.194 1.00 0.00 C ATOM 420 CD2 LEU A 28 6.119 -16.772 5.670 1.00 0.00 C ATOM 0 H LEU A 28 6.758 -14.475 3.461 1.00 0.00 H new ATOM 0 HA LEU A 28 4.361 -15.883 2.468 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.049 -14.496 5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.416 -14.966 4.646 1.00 0.00 H new ATOM 0 HG LEU A 28 3.991 -16.656 5.958 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.589 -18.719 4.708 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.352 -17.735 3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.035 -17.709 3.312 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.236 -17.767 6.099 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.833 -16.641 4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.303 -16.022 6.439 1.00 0.00 H new ATOM 432 N VAL A 29 3.042 -13.671 2.111 1.00 0.00 N ATOM 433 CA VAL A 29 2.275 -12.439 1.999 1.00 0.00 C ATOM 434 C VAL A 29 1.914 -11.999 3.432 1.00 0.00 C ATOM 435 O VAL A 29 1.895 -12.815 4.357 1.00 0.00 O ATOM 436 CB VAL A 29 1.043 -12.686 1.089 1.00 0.00 C ATOM 437 CG1 VAL A 29 0.226 -11.413 0.809 1.00 0.00 C ATOM 438 CG2 VAL A 29 1.471 -13.262 -0.275 1.00 0.00 C ATOM 0 H VAL A 29 2.527 -14.502 1.819 1.00 0.00 H new ATOM 0 HA VAL A 29 2.837 -11.632 1.529 1.00 0.00 H new ATOM 0 HB VAL A 29 0.421 -13.391 1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.620 -11.658 0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.139 -11.001 1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.858 -10.677 0.312 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.589 -13.426 -0.894 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.138 -12.559 -0.774 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.989 -14.209 -0.124 1.00 0.00 H new ATOM 448 N GLN A 30 1.599 -10.723 3.637 1.00 0.00 N ATOM 449 CA GLN A 30 1.062 -10.181 4.878 1.00 0.00 C ATOM 450 C GLN A 30 0.007 -9.150 4.495 1.00 0.00 C ATOM 451 O GLN A 30 0.014 -8.639 3.366 1.00 0.00 O ATOM 452 CB GLN A 30 2.144 -9.472 5.725 1.00 0.00 C ATOM 453 CG GLN A 30 3.275 -10.337 6.310 1.00 0.00 C ATOM 454 CD GLN A 30 2.779 -11.483 7.190 1.00 0.00 C ATOM 455 OE1 GLN A 30 1.844 -11.326 7.975 1.00 0.00 O ATOM 456 NE2 GLN A 30 3.406 -12.643 7.086 1.00 0.00 N ATOM 0 H GLN A 30 1.716 -10.013 2.915 1.00 0.00 H new ATOM 0 HA GLN A 30 0.658 -11.000 5.474 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.599 -8.698 5.108 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.645 -8.968 6.553 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.866 -10.748 5.492 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.940 -9.702 6.896 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.178 -12.748 6.428 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.117 -13.432 7.664 1.00 0.00 H new ATOM 465 N GLY A 31 -0.820 -8.756 5.463 1.00 0.00 N ATOM 466 CA GLY A 31 -1.647 -7.573 5.325 1.00 0.00 C ATOM 467 C GLY A 31 -3.097 -7.934 5.033 1.00 0.00 C ATOM 468 O GLY A 31 -3.613 -8.902 5.603 1.00 0.00 O ATOM 0 H GLY A 31 -0.930 -9.245 6.351 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.595 -6.983 6.240 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.258 -6.948 4.521 1.00 0.00 H new ATOM 472 N PRO A 32 -3.803 -7.131 4.226 1.00 0.00 N ATOM 473 CA PRO A 32 -3.336 -5.879 3.649 1.00 0.00 C ATOM 474 C PRO A 32 -3.128 -4.821 4.734 1.00 0.00 C ATOM 475 O PRO A 32 -3.522 -4.994 5.891 1.00 0.00 O ATOM 476 CB PRO A 32 -4.421 -5.484 2.652 1.00 0.00 C ATOM 477 CG PRO A 32 -5.690 -6.052 3.281 1.00 0.00 C ATOM 478 CD PRO A 32 -5.191 -7.357 3.880 1.00 0.00 C ATOM 0 HA PRO A 32 -2.367 -5.977 3.160 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.481 -4.403 2.529 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.235 -5.908 1.665 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.102 -5.387 4.040 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.474 -6.216 2.541 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.773 -7.630 4.760 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.287 -8.176 3.167 1.00 0.00 H new ATOM 486 N PHE A 33 -2.525 -3.711 4.337 1.00 0.00 N ATOM 487 CA PHE A 33 -2.223 -2.567 5.174 1.00 0.00 C ATOM 488 C PHE A 33 -2.687 -1.294 4.469 1.00 0.00 C ATOM 489 O PHE A 33 -2.973 -1.298 3.263 1.00 0.00 O ATOM 490 CB PHE A 33 -0.713 -2.548 5.420 1.00 0.00 C ATOM 491 CG PHE A 33 -0.189 -3.793 6.107 1.00 0.00 C ATOM 492 CD1 PHE A 33 -0.377 -3.941 7.491 1.00 0.00 C ATOM 493 CD2 PHE A 33 0.482 -4.797 5.380 1.00 0.00 C ATOM 494 CE1 PHE A 33 0.132 -5.075 8.152 1.00 0.00 C ATOM 495 CE2 PHE A 33 0.982 -5.926 6.046 1.00 0.00 C ATOM 496 CZ PHE A 33 0.815 -6.066 7.432 1.00 0.00 C ATOM 0 H PHE A 33 -2.219 -3.580 3.373 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.740 -2.629 6.131 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.200 -2.428 4.466 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.464 -1.678 6.027 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.912 -3.186 8.048 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.611 -4.697 4.312 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.004 -5.182 9.218 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.499 -6.693 5.488 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.210 -6.932 7.942 1.00 0.00 H new ATOM 506 N SER A 34 -2.801 -0.210 5.231 1.00 0.00 N ATOM 507 CA SER A 34 -3.019 1.126 4.704 1.00 0.00 C ATOM 508 C SER A 34 -1.711 1.666 4.129 1.00 0.00 C ATOM 509 O SER A 34 -0.628 1.331 4.617 1.00 0.00 O ATOM 510 CB SER A 34 -3.536 2.063 5.808 1.00 0.00 C ATOM 511 OG SER A 34 -3.567 1.484 7.091 1.00 0.00 O ATOM 0 H SER A 34 -2.743 -0.240 6.249 1.00 0.00 H new ATOM 0 HA SER A 34 -3.770 1.078 3.915 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.906 2.952 5.838 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.541 2.393 5.547 1.00 0.00 H new ATOM 0 HG SER A 34 -3.904 2.139 7.737 1.00 0.00 H new ATOM 517 N LEU A 35 -1.804 2.586 3.164 1.00 0.00 N ATOM 518 CA LEU A 35 -0.631 3.321 2.698 1.00 0.00 C ATOM 519 C LEU A 35 -0.034 4.138 3.836 1.00 0.00 C ATOM 520 O LEU A 35 1.186 4.245 3.910 1.00 0.00 O ATOM 521 CB LEU A 35 -0.941 4.254 1.517 1.00 0.00 C ATOM 522 CG LEU A 35 -1.391 3.525 0.244 1.00 0.00 C ATOM 523 CD1 LEU A 35 -1.797 4.537 -0.833 1.00 0.00 C ATOM 524 CD2 LEU A 35 -0.268 2.625 -0.284 1.00 0.00 C ATOM 0 H LEU A 35 -2.674 2.836 2.695 1.00 0.00 H new ATOM 0 HA LEU A 35 0.083 2.574 2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.720 4.955 1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.052 4.843 1.290 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.252 2.904 0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.114 4.006 -1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.620 5.150 -0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.947 5.176 -1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.604 2.116 -1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.607 3.233 -0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.007 1.886 0.474 1.00 0.00 H new ATOM 536 N THR A 36 -0.859 4.700 4.719 1.00 0.00 N ATOM 537 CA THR A 36 -0.394 5.443 5.880 1.00 0.00 C ATOM 538 C THR A 36 0.551 4.571 6.719 1.00 0.00 C ATOM 539 O THR A 36 1.691 4.970 6.951 1.00 0.00 O ATOM 540 CB THR A 36 -1.631 5.963 6.634 1.00 0.00 C ATOM 541 OG1 THR A 36 -2.461 6.659 5.720 1.00 0.00 O ATOM 542 CG2 THR A 36 -1.304 6.951 7.745 1.00 0.00 C ATOM 0 H THR A 36 -1.875 4.650 4.644 1.00 0.00 H new ATOM 0 HA THR A 36 0.202 6.312 5.601 1.00 0.00 H new ATOM 0 HB THR A 36 -2.104 5.086 7.077 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.068 6.026 5.282 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.226 7.272 8.229 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.656 6.472 8.479 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.795 7.818 7.323 1.00 0.00 H new ATOM 550 N GLN A 37 0.128 3.355 7.081 1.00 0.00 N ATOM 551 CA GLN A 37 0.932 2.429 7.875 1.00 0.00 C ATOM 552 C GLN A 37 2.216 2.052 7.133 1.00 0.00 C ATOM 553 O GLN A 37 3.309 2.212 7.669 1.00 0.00 O ATOM 554 CB GLN A 37 0.081 1.199 8.240 1.00 0.00 C ATOM 555 CG GLN A 37 -0.962 1.591 9.301 1.00 0.00 C ATOM 556 CD GLN A 37 -2.039 0.534 9.516 1.00 0.00 C ATOM 557 OE1 GLN A 37 -1.886 -0.642 9.194 1.00 0.00 O ATOM 558 NE2 GLN A 37 -3.174 0.913 10.085 1.00 0.00 N ATOM 0 H GLN A 37 -0.789 2.986 6.828 1.00 0.00 H new ATOM 0 HA GLN A 37 1.241 2.911 8.802 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.417 0.812 7.351 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.720 0.402 8.620 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.454 1.778 10.247 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.436 2.526 9.004 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.309 1.887 10.355 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.913 0.230 10.253 1.00 0.00 H new ATOM 567 N LEU A 38 2.107 1.622 5.872 1.00 0.00 N ATOM 568 CA LEU A 38 3.262 1.215 5.071 1.00 0.00 C ATOM 569 C LEU A 38 4.272 2.356 4.920 1.00 0.00 C ATOM 570 O LEU A 38 5.479 2.134 5.005 1.00 0.00 O ATOM 571 CB LEU A 38 2.795 0.737 3.685 1.00 0.00 C ATOM 572 CG LEU A 38 1.988 -0.575 3.713 1.00 0.00 C ATOM 573 CD1 LEU A 38 1.233 -0.745 2.392 1.00 0.00 C ATOM 574 CD2 LEU A 38 2.886 -1.793 3.951 1.00 0.00 C ATOM 0 H LEU A 38 1.217 1.547 5.380 1.00 0.00 H new ATOM 0 HA LEU A 38 3.760 0.396 5.590 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.185 1.517 3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.668 0.601 3.046 1.00 0.00 H new ATOM 0 HG LEU A 38 1.283 -0.513 4.542 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.663 -1.674 2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.552 0.095 2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.945 -0.777 1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.277 -2.697 3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.623 -1.863 3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.397 -1.687 4.908 1.00 0.00 H new ATOM 586 N LYS A 39 3.794 3.587 4.714 1.00 0.00 N ATOM 587 CA LYS A 39 4.639 4.773 4.670 1.00 0.00 C ATOM 588 C LYS A 39 5.341 4.946 6.005 1.00 0.00 C ATOM 589 O LYS A 39 6.555 5.159 6.026 1.00 0.00 O ATOM 590 CB LYS A 39 3.807 6.013 4.314 1.00 0.00 C ATOM 591 CG LYS A 39 4.703 7.260 4.245 1.00 0.00 C ATOM 592 CD LYS A 39 4.159 8.287 3.248 1.00 0.00 C ATOM 593 CE LYS A 39 2.964 9.047 3.819 1.00 0.00 C ATOM 594 NZ LYS A 39 2.248 9.810 2.780 1.00 0.00 N ATOM 0 H LYS A 39 2.803 3.784 4.573 1.00 0.00 H new ATOM 0 HA LYS A 39 5.394 4.650 3.894 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.310 5.862 3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.025 6.160 5.059 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.774 7.713 5.234 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.712 6.969 3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.947 8.992 2.985 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.864 7.781 2.329 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.278 8.343 4.290 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.306 9.728 4.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.444 10.311 3.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.895 10.500 2.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.899 9.158 2.049 1.00 0.00 H new ATOM 608 N ALA A 40 4.592 4.881 7.102 1.00 0.00 N ATOM 609 CA ALA A 40 5.126 5.154 8.417 1.00 0.00 C ATOM 610 C ALA A 40 6.180 4.112 8.822 1.00 0.00 C ATOM 611 O ALA A 40 7.115 4.444 9.552 1.00 0.00 O ATOM 612 CB ALA A 40 3.976 5.234 9.426 1.00 0.00 C ATOM 0 H ALA A 40 3.601 4.638 7.096 1.00 0.00 H new ATOM 0 HA ALA A 40 5.638 6.116 8.402 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.377 5.440 10.419 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.293 6.033 9.137 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.439 4.286 9.441 1.00 0.00 H new ATOM 618 N TRP A 41 6.081 2.878 8.325 1.00 0.00 N ATOM 619 CA TRP A 41 7.069 1.831 8.519 1.00 0.00 C ATOM 620 C TRP A 41 8.276 2.004 7.606 1.00 0.00 C ATOM 621 O TRP A 41 9.393 1.757 8.048 1.00 0.00 O ATOM 622 CB TRP A 41 6.376 0.492 8.286 1.00 0.00 C ATOM 623 CG TRP A 41 5.353 0.130 9.316 1.00 0.00 C ATOM 624 CD1 TRP A 41 5.336 0.502 10.619 1.00 0.00 C ATOM 625 CD2 TRP A 41 4.173 -0.695 9.123 1.00 0.00 C ATOM 626 NE1 TRP A 41 4.229 -0.040 11.237 1.00 0.00 N ATOM 627 CE2 TRP A 41 3.477 -0.788 10.361 1.00 0.00 C ATOM 628 CE3 TRP A 41 3.635 -1.379 8.017 1.00 0.00 C ATOM 629 CZ2 TRP A 41 2.298 -1.528 10.498 1.00 0.00 C ATOM 630 CZ3 TRP A 41 2.445 -2.120 8.137 1.00 0.00 C ATOM 631 CH2 TRP A 41 1.779 -2.191 9.378 1.00 0.00 C ATOM 0 H TRP A 41 5.286 2.577 7.761 1.00 0.00 H new ATOM 0 HA TRP A 41 7.461 1.881 9.535 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.895 0.512 7.308 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.132 -0.292 8.253 1.00 0.00 H new ATOM 0 HD1 TRP A 41 6.075 1.126 11.099 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.997 0.097 12.221 1.00 0.00 H new ATOM 0 HE3 TRP A 41 4.142 -1.335 7.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 1.796 -1.587 11.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.041 -2.635 7.278 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.865 -2.759 9.466 1.00 0.00 H new ATOM 642 N SER A 42 8.100 2.499 6.376 1.00 0.00 N ATOM 643 CA SER A 42 9.228 2.911 5.545 1.00 0.00 C ATOM 644 C SER A 42 10.013 4.029 6.253 1.00 0.00 C ATOM 645 O SER A 42 11.243 4.082 6.180 1.00 0.00 O ATOM 646 CB SER A 42 8.712 3.373 4.177 1.00 0.00 C ATOM 647 OG SER A 42 9.728 3.266 3.202 1.00 0.00 O ATOM 0 H SER A 42 7.187 2.622 5.938 1.00 0.00 H new ATOM 0 HA SER A 42 9.903 2.070 5.390 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.853 2.769 3.883 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.369 4.406 4.241 1.00 0.00 H new ATOM 0 HG SER A 42 9.382 3.563 2.335 1.00 0.00 H new ATOM 653 N ASP A 43 9.299 4.908 6.964 1.00 0.00 N ATOM 654 CA ASP A 43 9.837 5.982 7.797 1.00 0.00 C ATOM 655 C ASP A 43 10.713 5.384 8.902 1.00 0.00 C ATOM 656 O ASP A 43 11.833 5.848 9.096 1.00 0.00 O ATOM 657 CB ASP A 43 8.685 6.798 8.404 1.00 0.00 C ATOM 658 CG ASP A 43 8.685 8.276 8.045 1.00 0.00 C ATOM 659 OD1 ASP A 43 9.670 8.985 8.334 1.00 0.00 O ATOM 660 OD2 ASP A 43 7.629 8.743 7.558 1.00 0.00 O ATOM 0 H ASP A 43 8.279 4.886 6.973 1.00 0.00 H new ATOM 0 HA ASP A 43 10.447 6.647 7.186 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.740 6.361 8.080 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.725 6.703 9.489 1.00 0.00 H new ATOM 665 N ALA A 44 10.240 4.324 9.564 1.00 0.00 N ATOM 666 CA ALA A 44 10.972 3.530 10.553 1.00 0.00 C ATOM 667 C ALA A 44 11.954 2.512 9.927 1.00 0.00 C ATOM 668 O ALA A 44 12.480 1.634 10.614 1.00 0.00 O ATOM 669 CB ALA A 44 9.945 2.829 11.447 1.00 0.00 C ATOM 0 H ALA A 44 9.291 3.981 9.417 1.00 0.00 H new ATOM 0 HA ALA A 44 11.601 4.203 11.136 1.00 0.00 H new ATOM 0 HB1 ALA A 44 10.463 2.229 12.195 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.327 3.576 11.946 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.313 2.183 10.838 1.00 0.00 H new ATOM 675 N GLU A 45 12.190 2.606 8.616 1.00 0.00 N ATOM 676 CA GLU A 45 13.157 1.830 7.844 1.00 0.00 C ATOM 677 C GLU A 45 12.880 0.318 7.807 1.00 0.00 C ATOM 678 O GLU A 45 13.737 -0.428 7.333 1.00 0.00 O ATOM 679 CB GLU A 45 14.603 2.190 8.257 1.00 0.00 C ATOM 680 CG GLU A 45 14.873 3.695 8.105 1.00 0.00 C ATOM 681 CD GLU A 45 16.349 4.058 8.242 1.00 0.00 C ATOM 682 OE1 GLU A 45 17.121 3.765 7.296 1.00 0.00 O ATOM 683 OE2 GLU A 45 16.736 4.712 9.236 1.00 0.00 O ATOM 0 H GLU A 45 11.678 3.267 8.032 1.00 0.00 H new ATOM 0 HA GLU A 45 13.032 2.126 6.802 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.772 1.891 9.292 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.308 1.629 7.644 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.513 4.025 7.131 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.301 4.238 8.857 1.00 0.00 H new ATOM 690 N TYR A 46 11.694 -0.135 8.232 1.00 0.00 N ATOM 691 CA TYR A 46 11.274 -1.538 8.351 1.00 0.00 C ATOM 692 C TYR A 46 11.157 -2.288 7.012 1.00 0.00 C ATOM 693 O TYR A 46 10.617 -3.396 6.983 1.00 0.00 O ATOM 694 CB TYR A 46 9.918 -1.588 9.092 1.00 0.00 C ATOM 695 CG TYR A 46 9.942 -1.312 10.583 1.00 0.00 C ATOM 696 CD1 TYR A 46 10.909 -1.908 11.417 1.00 0.00 C ATOM 697 CD2 TYR A 46 8.927 -0.528 11.158 1.00 0.00 C ATOM 698 CE1 TYR A 46 10.905 -1.660 12.798 1.00 0.00 C ATOM 699 CE2 TYR A 46 8.915 -0.275 12.539 1.00 0.00 C ATOM 700 CZ TYR A 46 9.922 -0.824 13.361 1.00 0.00 C ATOM 701 OH TYR A 46 9.944 -0.532 14.687 1.00 0.00 O ATOM 0 H TYR A 46 10.956 0.508 8.520 1.00 0.00 H new ATOM 0 HA TYR A 46 12.060 -2.050 8.906 1.00 0.00 H new ATOM 0 HB2 TYR A 46 9.248 -0.866 8.624 1.00 0.00 H new ATOM 0 HB3 TYR A 46 9.482 -2.575 8.936 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.658 -2.559 10.991 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.149 -0.116 10.532 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.656 -2.111 13.429 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.138 0.338 12.971 1.00 0.00 H new ATOM 0 HH TYR A 46 9.193 0.059 14.904 1.00 0.00 H new ATOM 711 N PHE A 47 11.605 -1.705 5.901 1.00 0.00 N ATOM 712 CA PHE A 47 11.391 -2.160 4.541 1.00 0.00 C ATOM 713 C PHE A 47 12.658 -1.897 3.728 1.00 0.00 C ATOM 714 O PHE A 47 13.584 -1.227 4.192 1.00 0.00 O ATOM 715 CB PHE A 47 10.165 -1.433 3.953 1.00 0.00 C ATOM 716 CG PHE A 47 8.807 -1.832 4.517 1.00 0.00 C ATOM 717 CD1 PHE A 47 8.534 -3.172 4.859 1.00 0.00 C ATOM 718 CD2 PHE A 47 7.779 -0.876 4.648 1.00 0.00 C ATOM 719 CE1 PHE A 47 7.269 -3.546 5.329 1.00 0.00 C ATOM 720 CE2 PHE A 47 6.507 -1.258 5.105 1.00 0.00 C ATOM 721 CZ PHE A 47 6.249 -2.594 5.451 1.00 0.00 C ATOM 0 H PHE A 47 12.160 -0.850 5.936 1.00 0.00 H new ATOM 0 HA PHE A 47 11.188 -3.231 4.513 1.00 0.00 H new ATOM 0 HB2 PHE A 47 10.297 -0.362 4.106 1.00 0.00 H new ATOM 0 HB3 PHE A 47 10.151 -1.602 2.876 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.308 -3.918 4.757 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.971 0.156 4.395 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.079 -4.574 5.599 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.723 -0.520 5.191 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.272 -2.885 5.808 1.00 0.00 H new ATOM 731 N THR A 48 12.713 -2.441 2.516 1.00 0.00 N ATOM 732 CA THR A 48 13.886 -2.387 1.658 1.00 0.00 C ATOM 733 C THR A 48 13.820 -1.136 0.785 1.00 0.00 C ATOM 734 O THR A 48 12.733 -0.701 0.412 1.00 0.00 O ATOM 735 CB THR A 48 13.935 -3.696 0.852 1.00 0.00 C ATOM 736 OG1 THR A 48 12.676 -4.006 0.266 1.00 0.00 O ATOM 737 CG2 THR A 48 14.316 -4.843 1.795 1.00 0.00 C ATOM 0 H THR A 48 11.928 -2.940 2.098 1.00 0.00 H new ATOM 0 HA THR A 48 14.811 -2.309 2.230 1.00 0.00 H new ATOM 0 HB THR A 48 14.667 -3.570 0.055 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.747 -4.843 -0.239 1.00 0.00 H new ATOM 0 HG21 THR A 48 14.354 -5.777 1.235 1.00 0.00 H new ATOM 0 HG22 THR A 48 15.293 -4.643 2.234 1.00 0.00 H new ATOM 0 HG23 THR A 48 13.572 -4.925 2.587 1.00 0.00 H new ATOM 745 N LYS A 49 14.962 -0.567 0.384 1.00 0.00 N ATOM 746 CA LYS A 49 14.952 0.738 -0.290 1.00 0.00 C ATOM 747 C LYS A 49 14.317 0.703 -1.687 1.00 0.00 C ATOM 748 O LYS A 49 14.052 1.763 -2.249 1.00 0.00 O ATOM 749 CB LYS A 49 16.336 1.408 -0.277 1.00 0.00 C ATOM 750 CG LYS A 49 16.794 1.827 1.137 1.00 0.00 C ATOM 751 CD LYS A 49 17.646 0.756 1.829 1.00 0.00 C ATOM 752 CE LYS A 49 18.055 1.159 3.251 1.00 0.00 C ATOM 753 NZ LYS A 49 17.120 0.686 4.298 1.00 0.00 N ATOM 0 H LYS A 49 15.887 -0.978 0.510 1.00 0.00 H new ATOM 0 HA LYS A 49 14.293 1.373 0.302 1.00 0.00 H new ATOM 0 HB2 LYS A 49 17.069 0.722 -0.701 1.00 0.00 H new ATOM 0 HB3 LYS A 49 16.313 2.288 -0.920 1.00 0.00 H new ATOM 0 HG2 LYS A 49 17.367 2.752 1.069 1.00 0.00 H new ATOM 0 HG3 LYS A 49 15.918 2.039 1.750 1.00 0.00 H new ATOM 0 HD2 LYS A 49 17.088 -0.179 1.866 1.00 0.00 H new ATOM 0 HD3 LYS A 49 18.541 0.569 1.236 1.00 0.00 H new ATOM 0 HE2 LYS A 49 19.049 0.763 3.459 1.00 0.00 H new ATOM 0 HE3 LYS A 49 18.126 2.245 3.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 17.459 0.995 5.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 16.175 1.083 4.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 17.069 -0.352 4.274 1.00 0.00 H new ATOM 767 N GLN A 50 13.999 -0.473 -2.227 1.00 0.00 N ATOM 768 CA GLN A 50 12.976 -0.665 -3.237 1.00 0.00 C ATOM 769 C GLN A 50 12.032 -1.735 -2.692 1.00 0.00 C ATOM 770 O GLN A 50 12.215 -2.930 -2.920 1.00 0.00 O ATOM 771 CB GLN A 50 13.627 -1.047 -4.571 1.00 0.00 C ATOM 772 CG GLN A 50 14.068 0.187 -5.380 1.00 0.00 C ATOM 773 CD GLN A 50 15.440 -0.004 -6.005 1.00 0.00 C ATOM 774 OE1 GLN A 50 15.706 -1.019 -6.642 1.00 0.00 O ATOM 775 NE2 GLN A 50 16.338 0.945 -5.816 1.00 0.00 N ATOM 0 H GLN A 50 14.464 -1.341 -1.961 1.00 0.00 H new ATOM 0 HA GLN A 50 12.407 0.243 -3.440 1.00 0.00 H new ATOM 0 HB2 GLN A 50 14.492 -1.683 -4.382 1.00 0.00 H new ATOM 0 HB3 GLN A 50 12.923 -1.633 -5.162 1.00 0.00 H new ATOM 0 HG2 GLN A 50 13.337 0.387 -6.164 1.00 0.00 H new ATOM 0 HG3 GLN A 50 14.085 1.061 -4.729 1.00 0.00 H new ATOM 0 HE21 GLN A 50 16.094 1.780 -5.283 1.00 0.00 H new ATOM 0 HE22 GLN A 50 17.276 0.844 -6.203 1.00 0.00 H new ATOM 784 N PHE A 51 11.044 -1.312 -1.912 1.00 0.00 N ATOM 785 CA PHE A 51 9.980 -2.162 -1.398 1.00 0.00 C ATOM 786 C PHE A 51 8.793 -2.036 -2.340 1.00 0.00 C ATOM 787 O PHE A 51 8.425 -0.914 -2.691 1.00 0.00 O ATOM 788 CB PHE A 51 9.588 -1.666 -0.009 1.00 0.00 C ATOM 789 CG PHE A 51 8.569 -2.531 0.687 1.00 0.00 C ATOM 790 CD1 PHE A 51 8.972 -3.704 1.350 1.00 0.00 C ATOM 791 CD2 PHE A 51 7.224 -2.130 0.719 1.00 0.00 C ATOM 792 CE1 PHE A 51 8.029 -4.437 2.088 1.00 0.00 C ATOM 793 CE2 PHE A 51 6.290 -2.854 1.472 1.00 0.00 C ATOM 794 CZ PHE A 51 6.704 -3.989 2.179 1.00 0.00 C ATOM 0 H PHE A 51 10.960 -0.341 -1.612 1.00 0.00 H new ATOM 0 HA PHE A 51 10.301 -3.202 -1.333 1.00 0.00 H new ATOM 0 HB2 PHE A 51 10.483 -1.607 0.610 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.192 -0.654 -0.094 1.00 0.00 H new ATOM 0 HD1 PHE A 51 9.997 -4.038 1.292 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.908 -1.261 0.161 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.325 -5.348 2.587 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.258 -2.538 1.507 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.998 -4.523 2.798 1.00 0.00 H new ATOM 804 N ARG A 52 8.195 -3.143 -2.783 1.00 0.00 N ATOM 805 CA ARG A 52 7.050 -3.111 -3.681 1.00 0.00 C ATOM 806 C ARG A 52 5.768 -3.520 -2.957 1.00 0.00 C ATOM 807 O ARG A 52 5.834 -4.236 -1.957 1.00 0.00 O ATOM 808 CB ARG A 52 7.348 -4.021 -4.873 1.00 0.00 C ATOM 809 CG ARG A 52 8.477 -3.503 -5.773 1.00 0.00 C ATOM 810 CD ARG A 52 9.925 -3.655 -5.284 1.00 0.00 C ATOM 811 NE ARG A 52 10.889 -3.560 -6.399 1.00 0.00 N ATOM 812 CZ ARG A 52 12.140 -4.045 -6.413 1.00 0.00 C ATOM 813 NH1 ARG A 52 12.637 -4.715 -5.381 1.00 0.00 N ATOM 814 NH2 ARG A 52 12.915 -3.876 -7.476 1.00 0.00 N ATOM 0 H ARG A 52 8.494 -4.084 -2.527 1.00 0.00 H new ATOM 0 HA ARG A 52 6.886 -2.094 -4.039 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.613 -5.012 -4.505 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.442 -4.134 -5.469 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.396 -4.011 -6.734 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.297 -2.444 -5.956 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.143 -2.882 -4.547 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.041 -4.616 -4.783 1.00 0.00 H new ATOM 0 HE ARG A 52 10.573 -3.079 -7.241 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.065 -4.872 -4.551 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.591 -5.073 -5.417 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.561 -3.374 -8.291 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.865 -4.248 -7.479 1.00 0.00 H new ATOM 828 N VAL A 53 4.612 -3.102 -3.461 1.00 0.00 N ATOM 829 CA VAL A 53 3.289 -3.406 -2.917 1.00 0.00 C ATOM 830 C VAL A 53 2.338 -3.666 -4.079 1.00 0.00 C ATOM 831 O VAL A 53 2.586 -3.179 -5.181 1.00 0.00 O ATOM 832 CB VAL A 53 2.779 -2.239 -2.045 1.00 0.00 C ATOM 833 CG1 VAL A 53 3.620 -2.105 -0.773 1.00 0.00 C ATOM 834 CG2 VAL A 53 2.756 -0.880 -2.769 1.00 0.00 C ATOM 0 H VAL A 53 4.567 -2.517 -4.295 1.00 0.00 H new ATOM 0 HA VAL A 53 3.345 -4.290 -2.282 1.00 0.00 H new ATOM 0 HB VAL A 53 1.748 -2.494 -1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.243 -1.277 -0.173 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.558 -3.028 -0.197 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.659 -1.915 -1.042 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.386 -0.112 -2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.765 -0.623 -3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.101 -0.942 -3.638 1.00 0.00 H new ATOM 844 N TRP A 54 1.241 -4.385 -3.850 1.00 0.00 N ATOM 845 CA TRP A 54 0.194 -4.582 -4.849 1.00 0.00 C ATOM 846 C TRP A 54 -1.165 -4.482 -4.165 1.00 0.00 C ATOM 847 O TRP A 54 -1.267 -4.697 -2.954 1.00 0.00 O ATOM 848 CB TRP A 54 0.400 -5.924 -5.569 1.00 0.00 C ATOM 849 CG TRP A 54 0.355 -7.168 -4.736 1.00 0.00 C ATOM 850 CD1 TRP A 54 -0.724 -7.971 -4.606 1.00 0.00 C ATOM 851 CD2 TRP A 54 1.430 -7.815 -3.983 1.00 0.00 C ATOM 852 NE1 TRP A 54 -0.401 -9.043 -3.801 1.00 0.00 N ATOM 853 CE2 TRP A 54 0.915 -9.013 -3.409 1.00 0.00 C ATOM 854 CE3 TRP A 54 2.793 -7.536 -3.739 1.00 0.00 C ATOM 855 CZ2 TRP A 54 1.705 -9.885 -2.648 1.00 0.00 C ATOM 856 CZ3 TRP A 54 3.607 -8.428 -3.012 1.00 0.00 C ATOM 857 CH2 TRP A 54 3.063 -9.609 -2.475 1.00 0.00 C ATOM 0 H TRP A 54 1.053 -4.849 -2.962 1.00 0.00 H new ATOM 0 HA TRP A 54 0.241 -3.807 -5.614 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.361 -6.010 -6.344 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.366 -5.891 -6.073 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -1.688 -7.800 -5.061 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.061 -9.772 -3.529 1.00 0.00 H new ATOM 0 HE3 TRP A 54 3.221 -6.619 -4.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 1.267 -10.764 -2.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 4.653 -8.204 -2.867 1.00 0.00 H new ATOM 0 HH2 TRP A 54 3.692 -10.299 -1.932 1.00 0.00 H new ATOM 868 N MET A 55 -2.209 -4.122 -4.911 1.00 0.00 N ATOM 869 CA MET A 55 -3.540 -3.977 -4.330 1.00 0.00 C ATOM 870 C MET A 55 -4.200 -5.337 -4.104 1.00 0.00 C ATOM 871 O MET A 55 -3.857 -6.337 -4.738 1.00 0.00 O ATOM 872 CB MET A 55 -4.414 -3.065 -5.204 1.00 0.00 C ATOM 873 CG MET A 55 -4.319 -1.624 -4.686 1.00 0.00 C ATOM 874 SD MET A 55 -5.437 -0.440 -5.475 1.00 0.00 S ATOM 875 CE MET A 55 -4.551 -0.149 -7.024 1.00 0.00 C ATOM 0 H MET A 55 -2.158 -3.927 -5.911 1.00 0.00 H new ATOM 0 HA MET A 55 -3.434 -3.505 -3.353 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.085 -3.113 -6.242 1.00 0.00 H new ATOM 0 HB3 MET A 55 -5.450 -3.404 -5.182 1.00 0.00 H new ATOM 0 HG2 MET A 55 -4.518 -1.627 -3.614 1.00 0.00 H new ATOM 0 HG3 MET A 55 -3.295 -1.275 -4.819 1.00 0.00 H new ATOM 0 HE1 MET A 55 -4.453 0.924 -7.191 1.00 0.00 H new ATOM 0 HE2 MET A 55 -3.560 -0.599 -6.967 1.00 0.00 H new ATOM 0 HE3 MET A 55 -5.105 -0.596 -7.850 1.00 0.00 H new ATOM 885 N THR A 56 -5.179 -5.370 -3.203 1.00 0.00 N ATOM 886 CA THR A 56 -5.917 -6.564 -2.829 1.00 0.00 C ATOM 887 C THR A 56 -6.735 -7.097 -4.014 1.00 0.00 C ATOM 888 O THR A 56 -7.773 -6.530 -4.380 1.00 0.00 O ATOM 889 CB THR A 56 -6.794 -6.244 -1.612 1.00 0.00 C ATOM 890 OG1 THR A 56 -7.527 -5.050 -1.814 1.00 0.00 O ATOM 891 CG2 THR A 56 -5.983 -6.062 -0.335 1.00 0.00 C ATOM 0 H THR A 56 -5.487 -4.538 -2.700 1.00 0.00 H new ATOM 0 HA THR A 56 -5.223 -7.359 -2.555 1.00 0.00 H new ATOM 0 HB THR A 56 -7.459 -7.100 -1.501 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.900 -5.044 -2.720 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.655 -5.837 0.494 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.434 -6.978 -0.119 1.00 0.00 H new ATOM 0 HG23 THR A 56 -5.279 -5.240 -0.465 1.00 0.00 H new ATOM 899 N GLY A 57 -6.275 -8.193 -4.609 1.00 0.00 N ATOM 900 CA GLY A 57 -6.885 -8.862 -5.747 1.00 0.00 C ATOM 901 C GLY A 57 -5.965 -8.837 -6.964 1.00 0.00 C ATOM 902 O GLY A 57 -6.179 -9.619 -7.886 1.00 0.00 O ATOM 0 H GLY A 57 -5.425 -8.660 -4.293 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.115 -9.894 -5.484 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.830 -8.377 -5.993 1.00 0.00 H new ATOM 906 N GLU A 58 -4.915 -8.009 -6.974 1.00 0.00 N ATOM 907 CA GLU A 58 -3.916 -8.032 -8.035 1.00 0.00 C ATOM 908 C GLU A 58 -3.052 -9.292 -7.924 1.00 0.00 C ATOM 909 O GLU A 58 -3.140 -10.054 -6.952 1.00 0.00 O ATOM 910 CB GLU A 58 -3.042 -6.764 -7.982 1.00 0.00 C ATOM 911 CG GLU A 58 -3.811 -5.481 -8.293 1.00 0.00 C ATOM 912 CD GLU A 58 -4.520 -5.487 -9.649 1.00 0.00 C ATOM 913 OE1 GLU A 58 -4.063 -6.144 -10.614 1.00 0.00 O ATOM 914 OE2 GLU A 58 -5.567 -4.812 -9.760 1.00 0.00 O ATOM 0 H GLU A 58 -4.739 -7.311 -6.251 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.429 -8.051 -8.996 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.597 -6.680 -6.991 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.222 -6.868 -8.692 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.551 -5.315 -7.510 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.119 -4.639 -8.261 1.00 0.00 H new ATOM 921 N SER A 59 -2.189 -9.500 -8.915 1.00 0.00 N ATOM 922 CA SER A 59 -1.092 -10.451 -8.821 1.00 0.00 C ATOM 923 C SER A 59 0.141 -9.722 -8.304 1.00 0.00 C ATOM 924 O SER A 59 0.264 -8.501 -8.403 1.00 0.00 O ATOM 925 CB SER A 59 -0.809 -11.117 -10.177 1.00 0.00 C ATOM 926 OG SER A 59 -0.886 -12.531 -10.077 1.00 0.00 O ATOM 0 H SER A 59 -2.234 -9.010 -9.808 1.00 0.00 H new ATOM 0 HA SER A 59 -1.365 -11.248 -8.129 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.526 -10.762 -10.917 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.181 -10.827 -10.528 1.00 0.00 H new ATOM 0 HG SER A 59 -0.704 -12.931 -10.953 1.00 0.00 H new ATOM 932 N MET A 60 1.080 -10.502 -7.784 1.00 0.00 N ATOM 933 CA MET A 60 2.312 -9.983 -7.222 1.00 0.00 C ATOM 934 C MET A 60 3.204 -9.364 -8.295 1.00 0.00 C ATOM 935 O MET A 60 3.912 -8.403 -8.013 1.00 0.00 O ATOM 936 CB MET A 60 3.035 -11.138 -6.551 1.00 0.00 C ATOM 937 CG MET A 60 4.223 -10.635 -5.738 1.00 0.00 C ATOM 938 SD MET A 60 5.218 -11.924 -4.939 1.00 0.00 S ATOM 939 CE MET A 60 3.918 -12.858 -4.088 1.00 0.00 C ATOM 0 H MET A 60 1.004 -11.518 -7.742 1.00 0.00 H new ATOM 0 HA MET A 60 2.079 -9.195 -6.505 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.345 -11.676 -5.901 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.379 -11.845 -7.306 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.871 -10.054 -6.394 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.855 -9.955 -4.970 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.300 -13.231 -3.138 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.063 -12.207 -3.905 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.608 -13.698 -4.709 1.00 0.00 H new ATOM 949 N GLU A 61 3.182 -9.894 -9.518 1.00 0.00 N ATOM 950 CA GLU A 61 3.910 -9.282 -10.627 1.00 0.00 C ATOM 951 C GLU A 61 3.385 -7.885 -10.957 1.00 0.00 C ATOM 952 O GLU A 61 4.167 -7.041 -11.387 1.00 0.00 O ATOM 953 CB GLU A 61 3.886 -10.184 -11.866 1.00 0.00 C ATOM 954 CG GLU A 61 4.989 -11.241 -11.747 1.00 0.00 C ATOM 955 CD GLU A 61 5.190 -12.023 -13.039 1.00 0.00 C ATOM 956 OE1 GLU A 61 5.552 -11.407 -14.063 1.00 0.00 O ATOM 957 OE2 GLU A 61 5.078 -13.272 -13.021 1.00 0.00 O ATOM 0 H GLU A 61 2.670 -10.741 -9.764 1.00 0.00 H new ATOM 0 HA GLU A 61 4.946 -9.169 -10.307 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.913 -10.667 -11.959 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.034 -9.588 -12.766 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.925 -10.755 -11.471 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.739 -11.933 -10.943 1.00 0.00 H new ATOM 964 N SER A 62 2.111 -7.596 -10.687 1.00 0.00 N ATOM 965 CA SER A 62 1.547 -6.261 -10.824 1.00 0.00 C ATOM 966 C SER A 62 2.008 -5.317 -9.702 1.00 0.00 C ATOM 967 O SER A 62 1.508 -4.197 -9.623 1.00 0.00 O ATOM 968 CB SER A 62 0.015 -6.357 -10.830 1.00 0.00 C ATOM 969 OG SER A 62 -0.434 -7.461 -11.600 1.00 0.00 O ATOM 0 H SER A 62 1.439 -8.292 -10.364 1.00 0.00 H new ATOM 0 HA SER A 62 1.903 -5.842 -11.765 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.348 -6.454 -9.807 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.407 -5.436 -11.232 1.00 0.00 H new ATOM 0 HG SER A 62 -1.413 -7.495 -11.582 1.00 0.00 H new ATOM 975 N ALA A 63 2.884 -5.748 -8.785 1.00 0.00 N ATOM 976 CA ALA A 63 3.346 -4.890 -7.709 1.00 0.00 C ATOM 977 C ALA A 63 4.102 -3.689 -8.273 1.00 0.00 C ATOM 978 O ALA A 63 4.754 -3.778 -9.311 1.00 0.00 O ATOM 979 CB ALA A 63 4.195 -5.686 -6.706 1.00 0.00 C ATOM 0 H ALA A 63 3.282 -6.687 -8.775 1.00 0.00 H new ATOM 0 HA ALA A 63 2.481 -4.508 -7.166 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.531 -5.024 -5.908 1.00 0.00 H new ATOM 0 HB2 ALA A 63 3.596 -6.492 -6.281 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.061 -6.108 -7.216 1.00 0.00 H new ATOM 985 N VAL A 64 4.040 -2.578 -7.553 1.00 0.00 N ATOM 986 CA VAL A 64 4.658 -1.308 -7.895 1.00 0.00 C ATOM 987 C VAL A 64 5.547 -0.890 -6.730 1.00 0.00 C ATOM 988 O VAL A 64 5.331 -1.320 -5.590 1.00 0.00 O ATOM 989 CB VAL A 64 3.571 -0.258 -8.215 1.00 0.00 C ATOM 990 CG1 VAL A 64 2.814 -0.603 -9.502 1.00 0.00 C ATOM 991 CG2 VAL A 64 2.536 -0.100 -7.089 1.00 0.00 C ATOM 0 H VAL A 64 3.531 -2.538 -6.670 1.00 0.00 H new ATOM 0 HA VAL A 64 5.274 -1.398 -8.790 1.00 0.00 H new ATOM 0 HB VAL A 64 4.113 0.680 -8.332 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.058 0.158 -9.694 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.514 -0.639 -10.337 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.331 -1.574 -9.391 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.800 0.652 -7.374 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.035 -1.053 -6.919 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.039 0.214 -6.174 1.00 0.00 H new ATOM 1001 N LEU A 65 6.538 -0.037 -6.990 1.00 0.00 N ATOM 1002 CA LEU A 65 7.399 0.506 -5.959 1.00 0.00 C ATOM 1003 C LEU A 65 6.517 1.291 -5.010 1.00 0.00 C ATOM 1004 O LEU A 65 5.813 2.210 -5.420 1.00 0.00 O ATOM 1005 CB LEU A 65 8.467 1.448 -6.545 1.00 0.00 C ATOM 1006 CG LEU A 65 9.630 0.715 -7.227 1.00 0.00 C ATOM 1007 CD1 LEU A 65 10.500 1.712 -7.990 1.00 0.00 C ATOM 1008 CD2 LEU A 65 10.507 -0.043 -6.223 1.00 0.00 C ATOM 0 H LEU A 65 6.761 0.293 -7.929 1.00 0.00 H new ATOM 0 HA LEU A 65 7.920 -0.309 -5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.995 2.113 -7.268 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.863 2.075 -5.746 1.00 0.00 H new ATOM 0 HG LEU A 65 9.192 -0.011 -7.912 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.323 1.183 -8.471 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.899 2.214 -8.748 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.900 2.451 -7.296 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.316 -0.545 -6.753 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.926 0.660 -5.503 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.903 -0.783 -5.698 1.00 0.00 H new ATOM 1020 N LEU A 66 6.606 0.991 -3.723 1.00 0.00 N ATOM 1021 CA LEU A 66 5.961 1.782 -2.688 1.00 0.00 C ATOM 1022 C LEU A 66 6.353 3.262 -2.801 1.00 0.00 C ATOM 1023 O LEU A 66 5.529 4.127 -2.525 1.00 0.00 O ATOM 1024 CB LEU A 66 6.288 1.170 -1.312 1.00 0.00 C ATOM 1025 CG LEU A 66 5.626 1.909 -0.136 1.00 0.00 C ATOM 1026 CD1 LEU A 66 4.114 2.011 -0.331 1.00 0.00 C ATOM 1027 CD2 LEU A 66 5.919 1.190 1.186 1.00 0.00 C ATOM 0 H LEU A 66 7.129 0.191 -3.367 1.00 0.00 H new ATOM 0 HA LEU A 66 4.879 1.755 -2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.968 0.128 -1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.369 1.173 -1.170 1.00 0.00 H new ATOM 0 HG LEU A 66 6.046 2.914 -0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.673 2.538 0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.902 2.558 -1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.687 1.010 -0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.443 1.728 2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.527 0.174 1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.996 1.157 1.351 1.00 0.00 H new ATOM 1039 N THR A 67 7.554 3.585 -3.291 1.00 0.00 N ATOM 1040 CA THR A 67 7.991 4.958 -3.454 1.00 0.00 C ATOM 1041 C THR A 67 7.150 5.685 -4.529 1.00 0.00 C ATOM 1042 O THR A 67 6.921 6.894 -4.418 1.00 0.00 O ATOM 1043 CB THR A 67 9.518 4.919 -3.724 1.00 0.00 C ATOM 1044 OG1 THR A 67 10.251 5.352 -2.593 1.00 0.00 O ATOM 1045 CG2 THR A 67 9.987 5.712 -4.935 1.00 0.00 C ATOM 0 H THR A 67 8.245 2.894 -3.584 1.00 0.00 H new ATOM 0 HA THR A 67 7.826 5.553 -2.556 1.00 0.00 H new ATOM 0 HB THR A 67 9.713 3.869 -3.942 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.210 5.315 -2.791 1.00 0.00 H new ATOM 0 HG21 THR A 67 11.068 5.619 -5.034 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.505 5.324 -5.833 1.00 0.00 H new ATOM 0 HG23 THR A 67 9.724 6.762 -4.807 1.00 0.00 H new ATOM 1053 N ASP A 68 6.671 4.972 -5.555 1.00 0.00 N ATOM 1054 CA ASP A 68 5.800 5.524 -6.594 1.00 0.00 C ATOM 1055 C ASP A 68 4.457 5.878 -5.966 1.00 0.00 C ATOM 1056 O ASP A 68 3.983 7.008 -6.088 1.00 0.00 O ATOM 1057 CB ASP A 68 5.601 4.500 -7.723 1.00 0.00 C ATOM 1058 CG ASP A 68 4.606 4.975 -8.776 1.00 0.00 C ATOM 1059 OD1 ASP A 68 4.951 5.898 -9.555 1.00 0.00 O ATOM 1060 OD2 ASP A 68 3.507 4.392 -8.838 1.00 0.00 O ATOM 0 H ASP A 68 6.881 3.983 -5.687 1.00 0.00 H new ATOM 0 HA ASP A 68 6.257 6.417 -7.020 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.560 4.299 -8.200 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.253 3.559 -7.298 1.00 0.00 H new ATOM 1065 N VAL A 69 3.878 4.918 -5.247 1.00 0.00 N ATOM 1066 CA VAL A 69 2.587 5.031 -4.584 1.00 0.00 C ATOM 1067 C VAL A 69 2.623 6.163 -3.546 1.00 0.00 C ATOM 1068 O VAL A 69 1.660 6.922 -3.440 1.00 0.00 O ATOM 1069 CB VAL A 69 2.229 3.656 -3.985 1.00 0.00 C ATOM 1070 CG1 VAL A 69 0.836 3.654 -3.362 1.00 0.00 C ATOM 1071 CG2 VAL A 69 2.240 2.552 -5.055 1.00 0.00 C ATOM 0 H VAL A 69 4.315 4.007 -5.107 1.00 0.00 H new ATOM 0 HA VAL A 69 1.801 5.300 -5.289 1.00 0.00 H new ATOM 0 HB VAL A 69 2.986 3.462 -3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.622 2.667 -2.951 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.793 4.396 -2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.096 3.898 -4.124 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.983 1.597 -4.596 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.511 2.789 -5.830 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.233 2.485 -5.499 1.00 0.00 H new ATOM 1081 N LEU A 70 3.746 6.343 -2.840 1.00 0.00 N ATOM 1082 CA LEU A 70 4.006 7.462 -1.934 1.00 0.00 C ATOM 1083 C LEU A 70 3.746 8.801 -2.616 1.00 0.00 C ATOM 1084 O LEU A 70 2.999 9.620 -2.081 1.00 0.00 O ATOM 1085 CB LEU A 70 5.438 7.376 -1.389 1.00 0.00 C ATOM 1086 CG LEU A 70 5.548 7.011 0.091 1.00 0.00 C ATOM 1087 CD1 LEU A 70 4.707 5.800 0.467 1.00 0.00 C ATOM 1088 CD2 LEU A 70 6.997 6.688 0.402 1.00 0.00 C ATOM 0 H LEU A 70 4.526 5.687 -2.888 1.00 0.00 H new ATOM 0 HA LEU A 70 3.315 7.394 -1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.988 6.637 -1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.929 8.336 -1.548 1.00 0.00 H new ATOM 0 HG LEU A 70 5.182 7.864 0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.826 5.590 1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.658 6.005 0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.033 4.936 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.093 6.425 1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.323 5.849 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.618 7.558 0.187 1.00 0.00 H new ATOM 1100 N ARG A 71 4.354 9.036 -3.781 1.00 0.00 N ATOM 1101 CA ARG A 71 4.137 10.252 -4.553 1.00 0.00 C ATOM 1102 C ARG A 71 2.675 10.346 -4.991 1.00 0.00 C ATOM 1103 O ARG A 71 2.063 11.397 -4.815 1.00 0.00 O ATOM 1104 CB ARG A 71 5.159 10.290 -5.697 1.00 0.00 C ATOM 1105 CG ARG A 71 4.766 11.171 -6.886 1.00 0.00 C ATOM 1106 CD ARG A 71 6.018 11.469 -7.715 1.00 0.00 C ATOM 1107 NE ARG A 71 5.699 11.954 -9.067 1.00 0.00 N ATOM 1108 CZ ARG A 71 5.582 13.227 -9.458 1.00 0.00 C ATOM 1109 NH1 ARG A 71 5.582 14.220 -8.579 1.00 0.00 N ATOM 1110 NH2 ARG A 71 5.438 13.509 -10.745 1.00 0.00 N ATOM 0 H ARG A 71 5.010 8.385 -4.212 1.00 0.00 H new ATOM 0 HA ARG A 71 4.306 11.146 -3.953 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.112 10.643 -5.302 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.319 9.273 -6.055 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.019 10.666 -7.499 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.316 12.100 -6.535 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.622 12.215 -7.199 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.623 10.565 -7.790 1.00 0.00 H new ATOM 0 HE ARG A 71 5.551 11.243 -9.783 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.672 14.019 -7.583 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.492 15.184 -8.899 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.417 12.756 -11.433 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.348 14.479 -11.048 1.00 0.00 H new ATOM 1124 N LEU A 72 2.101 9.267 -5.529 1.00 0.00 N ATOM 1125 CA LEU A 72 0.736 9.276 -6.058 1.00 0.00 C ATOM 1126 C LEU A 72 -0.307 9.570 -4.975 1.00 0.00 C ATOM 1127 O LEU A 72 -1.327 10.184 -5.281 1.00 0.00 O ATOM 1128 CB LEU A 72 0.412 7.944 -6.762 1.00 0.00 C ATOM 1129 CG LEU A 72 1.235 7.683 -8.040 1.00 0.00 C ATOM 1130 CD1 LEU A 72 0.991 6.258 -8.539 1.00 0.00 C ATOM 1131 CD2 LEU A 72 0.913 8.674 -9.162 1.00 0.00 C ATOM 0 H LEU A 72 2.569 8.364 -5.610 1.00 0.00 H new ATOM 0 HA LEU A 72 0.687 10.085 -6.787 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.582 7.126 -6.062 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.648 7.930 -7.017 1.00 0.00 H new ATOM 0 HG LEU A 72 2.283 7.817 -7.773 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.576 6.083 -9.442 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.290 5.547 -7.769 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.068 6.127 -8.762 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.521 8.443 -10.037 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.142 8.598 -9.423 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.131 9.688 -8.826 1.00 0.00 H new ATOM 1143 N SER A 73 -0.076 9.154 -3.727 1.00 0.00 N ATOM 1144 CA SER A 73 -0.970 9.362 -2.587 1.00 0.00 C ATOM 1145 C SER A 73 -0.711 10.712 -1.884 1.00 0.00 C ATOM 1146 O SER A 73 -1.340 11.005 -0.859 1.00 0.00 O ATOM 1147 CB SER A 73 -0.824 8.147 -1.651 1.00 0.00 C ATOM 1148 OG SER A 73 -1.791 8.110 -0.611 1.00 0.00 O ATOM 0 H SER A 73 0.771 8.644 -3.474 1.00 0.00 H new ATOM 0 HA SER A 73 -2.005 9.429 -2.923 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.902 7.234 -2.241 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.172 8.157 -1.209 1.00 0.00 H new ATOM 0 HG SER A 73 -1.967 9.021 -0.296 1.00 0.00 H new ATOM 1154 N GLY A 74 0.190 11.552 -2.402 1.00 0.00 N ATOM 1155 CA GLY A 74 0.417 12.901 -1.906 1.00 0.00 C ATOM 1156 C GLY A 74 0.012 13.931 -2.960 1.00 0.00 C ATOM 1157 O GLY A 74 0.006 13.618 -4.154 1.00 0.00 O ATOM 0 H GLY A 74 0.788 11.304 -3.190 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.156 13.061 -0.993 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.468 13.029 -1.649 1.00 0.00 H new ATOM 1161 N PRO A 75 -0.288 15.180 -2.568 1.00 0.00 N ATOM 1162 CA PRO A 75 -0.420 16.286 -3.507 1.00 0.00 C ATOM 1163 C PRO A 75 0.928 16.591 -4.155 1.00 0.00 C ATOM 1164 O PRO A 75 1.975 16.113 -3.697 1.00 0.00 O ATOM 1165 CB PRO A 75 -0.948 17.457 -2.673 1.00 0.00 C ATOM 1166 CG PRO A 75 -0.377 17.182 -1.283 1.00 0.00 C ATOM 1167 CD PRO A 75 -0.388 15.656 -1.200 1.00 0.00 C ATOM 0 HA PRO A 75 -1.098 16.065 -4.331 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.609 18.416 -3.065 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.038 17.485 -2.662 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.630 17.584 -1.174 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.987 17.633 -0.500 1.00 0.00 H new ATOM 0 HD2 PRO A 75 0.445 15.292 -0.598 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.303 15.298 -0.728 1.00 0.00 H new ATOM 1175 N SER A 76 0.900 17.401 -5.212 1.00 0.00 N ATOM 1176 CA SER A 76 2.093 17.858 -5.888 1.00 0.00 C ATOM 1177 C SER A 76 3.020 18.504 -4.857 1.00 0.00 C ATOM 1178 O SER A 76 2.561 19.247 -3.983 1.00 0.00 O ATOM 1179 CB SER A 76 1.712 18.799 -7.045 1.00 0.00 C ATOM 1180 OG SER A 76 0.797 19.814 -6.658 1.00 0.00 O ATOM 0 H SER A 76 0.036 17.757 -5.620 1.00 0.00 H new ATOM 0 HA SER A 76 2.634 17.027 -6.340 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.615 19.264 -7.440 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.275 18.213 -7.854 1.00 0.00 H new ATOM 0 HG SER A 76 0.592 20.382 -7.430 1.00 0.00 H new ATOM 1186 N SER A 77 4.314 18.198 -4.909 1.00 0.00 N ATOM 1187 CA SER A 77 5.280 18.855 -4.050 1.00 0.00 C ATOM 1188 C SER A 77 5.515 20.241 -4.653 1.00 0.00 C ATOM 1189 O SER A 77 6.381 20.415 -5.508 1.00 0.00 O ATOM 1190 CB SER A 77 6.527 17.969 -3.904 1.00 0.00 C ATOM 1191 OG SER A 77 6.761 17.714 -2.533 1.00 0.00 O ATOM 0 H SER A 77 4.712 17.500 -5.537 1.00 0.00 H new ATOM 0 HA SER A 77 4.936 18.997 -3.025 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.386 17.031 -4.441 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.392 18.463 -4.347 1.00 0.00 H new ATOM 0 HG SER A 77 7.555 17.148 -2.436 1.00 0.00 H new ATOM 1197 N GLY A 78 4.684 21.206 -4.255 1.00 0.00 N ATOM 1198 CA GLY A 78 4.440 22.403 -5.038 1.00 0.00 C ATOM 1199 C GLY A 78 3.489 21.998 -6.141 1.00 0.00 C ATOM 1200 O GLY A 78 3.953 21.851 -7.286 1.00 0.00 O ATOM 0 H GLY A 78 4.164 21.173 -3.378 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.008 23.191 -4.421 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.370 22.795 -5.450 1.00 0.00 H new TER 1204 GLY A 78