USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 801 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 78 MET CE :methyl 175:sc= -0.18 (180deg=-0.24) USER MOD Set 1.2: A 85 LYS NZ :NH3+ -173:sc= 0.515 (180deg=0.0183) USER MOD Set 1.3: A 88 THR OG1 : rot 6:sc= 0.786 USER MOD Set 2.1: A 81 LYS NZ :NH3+ 165:sc= -0.0148 (180deg=-0.216) USER MOD Set 2.2: A 86 CYS SG : rot 180:sc= -0.176 USER MOD Single : A 7 ASN : amide:sc= -0.626 K(o=-0.63,f=-4!) USER MOD Single : A 10 THR OG1 : rot -160:sc= 0.864 USER MOD Single : A 12 LYS NZ :NH3+ -139:sc= 0.755 (180deg=0.321) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot -106:sc= 1.19 USER MOD Single : A 19 SER OG : rot 180:sc= 0.129 USER MOD Single : A 48 TYR OH : rot -25:sc= 1.25 USER MOD Single : A 49 LYS NZ :NH3+ -172:sc= 0.145 (180deg=0.0206) USER MOD Single : A 51 LYS NZ :NH3+ -177:sc= 0.916 (180deg=0.909) USER MOD Single : A 53 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0102) USER MOD Single : A 54 CYS SG : rot -175:sc= -0.927 USER MOD Single : A 56 LYS NZ :NH3+ -162:sc= 0.475 (180deg=0.297) USER MOD Single : A 58 ASN : amide:sc= 0.493 K(o=0.49,f=-9.8!) USER MOD Single : A 59 THR OG1 : rot 83:sc= 1.01 USER MOD Single : A 62 SER OG : rot -59:sc= 0.0929 USER MOD Single : A 64 ASN : amide:sc= 1.07 K(o=1.1,f=-1.1) USER MOD Single : A 67 SER OG : rot 75:sc= 1.17 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.138 USER MOD Single : A 76 THR OG1 : rot 28:sc= 1.31 USER MOD Single : A 84 LYS NZ :NH3+ -135:sc= 0.0998 (180deg=-0.24) USER MOD Single : A 95 LYS NZ :NH3+ -137:sc= -0.0775 (180deg=-0.468) USER MOD Single : A 97 THR OG1 : rot -160:sc= 0.044 USER MOD Single : A 100 GLN : amide:sc= -0.633 X(o=-0.63,f=-0.15) USER MOD Single : A 101 THR OG1 : rot 71:sc= 1.15 USER MOD Single : A 104 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0223) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N ALA A 3 -3.304 -1.353 -9.477 1.00 0.00 N ATOM 36 CA ALA A 3 -2.509 -0.913 -8.349 1.00 0.00 C ATOM 37 C ALA A 3 -1.229 -0.344 -8.951 1.00 0.00 C ATOM 38 O ALA A 3 -0.570 -1.035 -9.739 1.00 0.00 O ATOM 39 CB ALA A 3 -2.171 -2.092 -7.438 1.00 0.00 C ATOM 0 HA ALA A 3 -3.044 -0.179 -7.746 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.573 -1.742 -6.596 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.092 -2.541 -7.067 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.606 -2.836 -8.000 1.00 0.00 H new ATOM 45 N GLY A 4 -0.886 0.903 -8.629 1.00 0.00 N ATOM 46 CA GLY A 4 0.327 1.496 -9.161 1.00 0.00 C ATOM 47 C GLY A 4 1.561 0.856 -8.523 1.00 0.00 C ATOM 48 O GLY A 4 1.470 0.204 -7.480 1.00 0.00 O ATOM 0 H GLY A 4 -1.426 1.509 -8.011 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.359 1.364 -10.242 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.328 2.569 -8.971 1.00 0.00 H new ATOM 52 N ALA A 5 2.719 1.050 -9.153 1.00 0.00 N ATOM 53 CA ALA A 5 4.008 0.637 -8.626 1.00 0.00 C ATOM 54 C ALA A 5 4.693 1.928 -8.195 1.00 0.00 C ATOM 55 O ALA A 5 4.835 2.830 -9.020 1.00 0.00 O ATOM 56 CB ALA A 5 4.817 -0.094 -9.696 1.00 0.00 C ATOM 0 H ALA A 5 2.783 1.508 -10.062 1.00 0.00 H new ATOM 0 HA ALA A 5 3.910 -0.060 -7.793 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.779 -0.395 -9.282 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.271 -0.978 -10.025 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.979 0.569 -10.546 1.00 0.00 H new ATOM 62 N VAL A 6 5.057 2.047 -6.918 1.00 0.00 N ATOM 63 CA VAL A 6 5.690 3.246 -6.385 1.00 0.00 C ATOM 64 C VAL A 6 7.103 2.935 -5.897 1.00 0.00 C ATOM 65 O VAL A 6 7.485 1.782 -5.686 1.00 0.00 O ATOM 66 CB VAL A 6 4.832 3.902 -5.274 1.00 0.00 C ATOM 67 CG1 VAL A 6 3.849 4.914 -5.864 1.00 0.00 C ATOM 68 CG2 VAL A 6 4.041 2.914 -4.413 1.00 0.00 C ATOM 0 H VAL A 6 4.919 1.311 -6.225 1.00 0.00 H new ATOM 0 HA VAL A 6 5.766 3.973 -7.193 1.00 0.00 H new ATOM 0 HB VAL A 6 5.559 4.391 -4.625 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.260 5.359 -5.062 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.401 5.696 -6.386 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.185 4.409 -6.565 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.470 3.461 -3.663 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.358 2.346 -5.045 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.730 2.230 -3.917 1.00 0.00 H new ATOM 78 N ASN A 7 7.871 4.013 -5.745 1.00 0.00 N ATOM 79 CA ASN A 7 9.220 4.067 -5.220 1.00 0.00 C ATOM 80 C ASN A 7 9.281 5.322 -4.366 1.00 0.00 C ATOM 81 O ASN A 7 8.384 6.151 -4.456 1.00 0.00 O ATOM 82 CB ASN A 7 10.236 4.183 -6.363 1.00 0.00 C ATOM 83 CG ASN A 7 11.646 4.500 -5.880 1.00 0.00 C ATOM 84 OD1 ASN A 7 12.088 5.645 -5.931 1.00 0.00 O ATOM 85 ND2 ASN A 7 12.305 3.494 -5.317 1.00 0.00 N ATOM 0 H ASN A 7 7.533 4.939 -6.008 1.00 0.00 H new ATOM 0 HA ASN A 7 9.458 3.167 -4.652 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.252 3.248 -6.923 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.911 4.962 -7.052 1.00 0.00 H new ATOM 0 HD21 ASN A 7 13.222 3.655 -4.901 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.894 2.561 -5.301 1.00 0.00 H new ATOM 92 N ASP A 8 10.344 5.470 -3.585 1.00 0.00 N ATOM 93 CA ASP A 8 10.627 6.636 -2.751 1.00 0.00 C ATOM 94 C ASP A 8 10.261 7.929 -3.483 1.00 0.00 C ATOM 95 O ASP A 8 9.560 8.790 -2.957 1.00 0.00 O ATOM 96 CB ASP A 8 12.125 6.635 -2.422 1.00 0.00 C ATOM 97 CG ASP A 8 12.534 7.723 -1.433 1.00 0.00 C ATOM 98 OD1 ASP A 8 11.635 8.308 -0.793 1.00 0.00 O ATOM 99 OD2 ASP A 8 13.761 7.937 -1.323 1.00 0.00 O ATOM 0 H ASP A 8 11.064 4.751 -3.511 1.00 0.00 H new ATOM 0 HA ASP A 8 10.033 6.585 -1.839 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.398 5.662 -2.013 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.691 6.763 -3.345 1.00 0.00 H new ATOM 104 N ASP A 9 10.739 8.025 -4.723 1.00 0.00 N ATOM 105 CA ASP A 9 10.493 9.155 -5.607 1.00 0.00 C ATOM 106 C ASP A 9 8.999 9.459 -5.766 1.00 0.00 C ATOM 107 O ASP A 9 8.518 10.509 -5.352 1.00 0.00 O ATOM 108 CB ASP A 9 11.097 8.845 -6.980 1.00 0.00 C ATOM 109 CG ASP A 9 10.838 9.985 -7.957 1.00 0.00 C ATOM 110 OD1 ASP A 9 11.509 11.027 -7.802 1.00 0.00 O ATOM 111 OD2 ASP A 9 9.968 9.794 -8.834 1.00 0.00 O ATOM 0 H ASP A 9 11.320 7.302 -5.147 1.00 0.00 H new ATOM 0 HA ASP A 9 10.957 10.036 -5.164 1.00 0.00 H new ATOM 0 HB2 ASP A 9 12.170 8.682 -6.881 1.00 0.00 H new ATOM 0 HB3 ASP A 9 10.669 7.922 -7.370 1.00 0.00 H new ATOM 116 N THR A 10 8.274 8.537 -6.397 1.00 0.00 N ATOM 117 CA THR A 10 6.867 8.690 -6.743 1.00 0.00 C ATOM 118 C THR A 10 5.969 8.757 -5.503 1.00 0.00 C ATOM 119 O THR A 10 5.054 9.579 -5.444 1.00 0.00 O ATOM 120 CB THR A 10 6.488 7.528 -7.672 1.00 0.00 C ATOM 121 OG1 THR A 10 6.998 6.305 -7.172 1.00 0.00 O ATOM 122 CG2 THR A 10 7.089 7.740 -9.065 1.00 0.00 C ATOM 0 H THR A 10 8.662 7.640 -6.688 1.00 0.00 H new ATOM 0 HA THR A 10 6.713 9.640 -7.255 1.00 0.00 H new ATOM 0 HB THR A 10 5.400 7.493 -7.725 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.035 5.645 -7.896 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.811 6.908 -9.712 1.00 0.00 H new ATOM 0 HG22 THR A 10 6.709 8.670 -9.487 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.175 7.793 -8.988 1.00 0.00 H new ATOM 130 N PHE A 11 6.262 7.910 -4.512 1.00 0.00 N ATOM 131 CA PHE A 11 5.587 7.757 -3.224 1.00 0.00 C ATOM 132 C PHE A 11 5.169 9.106 -2.657 1.00 0.00 C ATOM 133 O PHE A 11 4.039 9.313 -2.223 1.00 0.00 O ATOM 134 CB PHE A 11 6.584 7.091 -2.272 1.00 0.00 C ATOM 135 CG PHE A 11 6.156 6.934 -0.832 1.00 0.00 C ATOM 136 CD1 PHE A 11 5.257 5.914 -0.481 1.00 0.00 C ATOM 137 CD2 PHE A 11 6.799 7.677 0.174 1.00 0.00 C ATOM 138 CE1 PHE A 11 4.952 5.676 0.868 1.00 0.00 C ATOM 139 CE2 PHE A 11 6.533 7.403 1.524 1.00 0.00 C ATOM 140 CZ PHE A 11 5.597 6.415 1.873 1.00 0.00 C ATOM 0 H PHE A 11 7.043 7.260 -4.600 1.00 0.00 H new ATOM 0 HA PHE A 11 4.684 7.158 -3.346 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.819 6.102 -2.665 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.508 7.669 -2.290 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.799 5.311 -1.251 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.497 8.457 -0.092 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.222 4.925 1.133 1.00 0.00 H new ATOM 0 HE2 PHE A 11 7.049 7.953 2.297 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.374 6.224 2.912 1.00 0.00 H new ATOM 150 N LYS A 12 6.109 10.034 -2.683 1.00 0.00 N ATOM 151 CA LYS A 12 5.902 11.407 -2.257 1.00 0.00 C ATOM 152 C LYS A 12 4.591 11.992 -2.782 1.00 0.00 C ATOM 153 O LYS A 12 3.735 12.424 -2.014 1.00 0.00 O ATOM 154 CB LYS A 12 7.058 12.257 -2.776 1.00 0.00 C ATOM 155 CG LYS A 12 8.296 11.991 -1.914 1.00 0.00 C ATOM 156 CD LYS A 12 9.518 12.759 -2.425 1.00 0.00 C ATOM 157 CE LYS A 12 10.762 12.322 -1.642 1.00 0.00 C ATOM 158 NZ LYS A 12 11.230 10.988 -2.062 1.00 0.00 N ATOM 0 H LYS A 12 7.058 9.850 -3.008 1.00 0.00 H new ATOM 0 HA LYS A 12 5.855 11.413 -1.168 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.265 12.015 -3.818 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.794 13.314 -2.741 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.090 12.279 -0.883 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.513 10.923 -1.909 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.660 12.570 -3.489 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.361 13.831 -2.310 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.559 13.050 -1.789 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.535 12.309 -0.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.517 10.441 -1.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.461 10.490 -2.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.042 11.091 -2.703 1.00 0.00 H new ATOM 172 N ASN A 13 4.441 12.036 -4.103 1.00 0.00 N ATOM 173 CA ASN A 13 3.264 12.638 -4.705 1.00 0.00 C ATOM 174 C ASN A 13 2.088 11.689 -4.653 1.00 0.00 C ATOM 175 O ASN A 13 0.968 12.063 -4.322 1.00 0.00 O ATOM 176 CB ASN A 13 3.530 12.947 -6.179 1.00 0.00 C ATOM 177 CG ASN A 13 2.459 13.876 -6.733 1.00 0.00 C ATOM 178 OD1 ASN A 13 1.644 13.480 -7.558 1.00 0.00 O ATOM 179 ND2 ASN A 13 2.460 15.126 -6.280 1.00 0.00 N ATOM 0 H ASN A 13 5.117 11.664 -4.770 1.00 0.00 H new ATOM 0 HA ASN A 13 3.040 13.548 -4.147 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.511 13.409 -6.288 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.548 12.021 -6.753 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.766 15.792 -6.620 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.155 15.419 -5.593 1.00 0.00 H new ATOM 186 N VAL A 14 2.382 10.449 -5.027 1.00 0.00 N ATOM 187 CA VAL A 14 1.356 9.458 -5.279 1.00 0.00 C ATOM 188 C VAL A 14 0.671 8.999 -3.988 1.00 0.00 C ATOM 189 O VAL A 14 -0.514 8.678 -4.002 1.00 0.00 O ATOM 190 CB VAL A 14 1.972 8.268 -6.047 1.00 0.00 C ATOM 191 CG1 VAL A 14 0.973 7.118 -6.260 1.00 0.00 C ATOM 192 CG2 VAL A 14 2.468 8.724 -7.427 1.00 0.00 C ATOM 0 H VAL A 14 3.334 10.109 -5.162 1.00 0.00 H new ATOM 0 HA VAL A 14 0.578 9.913 -5.892 1.00 0.00 H new ATOM 0 HB VAL A 14 2.796 7.905 -5.433 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.460 6.309 -6.805 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.631 6.750 -5.293 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.119 7.479 -6.834 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.900 7.875 -7.957 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.631 9.123 -8.001 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.225 9.498 -7.304 1.00 0.00 H new ATOM 202 N VAL A 15 1.421 8.938 -2.886 1.00 0.00 N ATOM 203 CA VAL A 15 0.978 8.376 -1.619 1.00 0.00 C ATOM 204 C VAL A 15 0.912 9.435 -0.527 1.00 0.00 C ATOM 205 O VAL A 15 -0.154 9.639 0.050 1.00 0.00 O ATOM 206 CB VAL A 15 1.932 7.242 -1.208 1.00 0.00 C ATOM 207 CG1 VAL A 15 1.408 6.537 0.048 1.00 0.00 C ATOM 208 CG2 VAL A 15 2.119 6.261 -2.373 1.00 0.00 C ATOM 0 H VAL A 15 2.378 9.289 -2.855 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.030 7.982 -1.749 1.00 0.00 H new ATOM 0 HB VAL A 15 2.908 7.662 -0.967 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.093 5.736 0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.336 7.255 0.865 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.423 6.117 -0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.796 5.462 -2.071 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.154 5.834 -2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.539 6.789 -3.229 1.00 0.00 H new ATOM 218 N LEU A 16 2.041 10.083 -0.212 1.00 0.00 N ATOM 219 CA LEU A 16 2.057 11.042 0.885 1.00 0.00 C ATOM 220 C LEU A 16 1.110 12.194 0.562 1.00 0.00 C ATOM 221 O LEU A 16 0.046 12.312 1.170 1.00 0.00 O ATOM 222 CB LEU A 16 3.474 11.546 1.200 1.00 0.00 C ATOM 223 CG LEU A 16 4.477 10.440 1.565 1.00 0.00 C ATOM 224 CD1 LEU A 16 5.814 11.099 1.928 1.00 0.00 C ATOM 225 CD2 LEU A 16 3.984 9.597 2.747 1.00 0.00 C ATOM 0 H LEU A 16 2.933 9.961 -0.692 1.00 0.00 H new ATOM 0 HA LEU A 16 1.712 10.537 1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.853 12.092 0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.419 12.256 2.025 1.00 0.00 H new ATOM 0 HG LEU A 16 4.591 9.774 0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.540 10.329 2.190 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.182 11.669 1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.671 11.768 2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.719 8.826 2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.847 10.237 3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.035 9.128 2.488 1.00 0.00 H new ATOM 237 N GLU A 17 1.438 13.015 -0.437 1.00 0.00 N ATOM 238 CA GLU A 17 0.643 14.180 -0.787 1.00 0.00 C ATOM 239 C GLU A 17 -0.585 13.800 -1.623 1.00 0.00 C ATOM 240 O GLU A 17 -0.930 14.501 -2.572 1.00 0.00 O ATOM 241 CB GLU A 17 1.549 15.176 -1.524 1.00 0.00 C ATOM 242 CG GLU A 17 2.830 15.523 -0.748 1.00 0.00 C ATOM 243 CD GLU A 17 2.542 15.960 0.686 1.00 0.00 C ATOM 244 OE1 GLU A 17 1.991 17.071 0.839 1.00 0.00 O ATOM 245 OE2 GLU A 17 2.866 15.170 1.599 1.00 0.00 O ATOM 0 H GLU A 17 2.263 12.886 -1.023 1.00 0.00 H new ATOM 0 HA GLU A 17 0.254 14.643 0.120 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.822 14.760 -2.494 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.990 16.092 -1.716 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.490 14.655 -0.735 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.362 16.320 -1.268 1.00 0.00 H new ATOM 252 N SER A 18 -1.259 12.706 -1.259 1.00 0.00 N ATOM 253 CA SER A 18 -2.474 12.259 -1.912 1.00 0.00 C ATOM 254 C SER A 18 -3.657 12.906 -1.194 1.00 0.00 C ATOM 255 O SER A 18 -3.676 12.987 0.035 1.00 0.00 O ATOM 256 CB SER A 18 -2.560 10.731 -1.865 1.00 0.00 C ATOM 257 OG SER A 18 -3.670 10.298 -2.624 1.00 0.00 O ATOM 0 H SER A 18 -0.965 12.103 -0.491 1.00 0.00 H new ATOM 0 HA SER A 18 -2.482 12.553 -2.962 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.643 10.292 -2.259 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.657 10.393 -0.833 1.00 0.00 H new ATOM 0 HG SER A 18 -4.387 10.012 -2.021 1.00 0.00 H new ATOM 263 N SER A 19 -4.658 13.346 -1.954 1.00 0.00 N ATOM 264 CA SER A 19 -5.857 13.971 -1.429 1.00 0.00 C ATOM 265 C SER A 19 -6.766 12.865 -0.905 1.00 0.00 C ATOM 266 O SER A 19 -7.161 12.860 0.259 1.00 0.00 O ATOM 267 CB SER A 19 -6.518 14.730 -2.583 1.00 0.00 C ATOM 268 OG SER A 19 -6.447 13.928 -3.755 1.00 0.00 O ATOM 0 H SER A 19 -4.652 13.274 -2.971 1.00 0.00 H new ATOM 0 HA SER A 19 -5.645 14.666 -0.617 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.557 14.955 -2.341 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.015 15.683 -2.746 1.00 0.00 H new ATOM 0 HG SER A 19 -6.869 14.402 -4.502 1.00 0.00 H new ATOM 274 N VAL A 20 -7.061 11.908 -1.782 1.00 0.00 N ATOM 275 CA VAL A 20 -7.854 10.739 -1.445 1.00 0.00 C ATOM 276 C VAL A 20 -6.946 9.747 -0.703 1.00 0.00 C ATOM 277 O VAL A 20 -5.723 9.829 -0.838 1.00 0.00 O ATOM 278 CB VAL A 20 -8.438 10.115 -2.721 1.00 0.00 C ATOM 279 CG1 VAL A 20 -9.371 11.103 -3.433 1.00 0.00 C ATOM 280 CG2 VAL A 20 -7.370 9.610 -3.705 1.00 0.00 C ATOM 0 H VAL A 20 -6.751 11.927 -2.754 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.692 11.013 -0.803 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.002 9.243 -2.391 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.773 10.639 -4.334 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.191 11.373 -2.767 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.813 11.999 -3.704 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.856 9.182 -4.582 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.735 10.441 -4.011 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.760 8.847 -3.220 1.00 0.00 H new ATOM 290 N PRO A 21 -7.498 8.826 0.102 1.00 0.00 N ATOM 291 CA PRO A 21 -6.673 7.869 0.826 1.00 0.00 C ATOM 292 C PRO A 21 -5.936 6.931 -0.119 1.00 0.00 C ATOM 293 O PRO A 21 -6.447 6.623 -1.197 1.00 0.00 O ATOM 294 CB PRO A 21 -7.615 7.043 1.692 1.00 0.00 C ATOM 295 CG PRO A 21 -8.873 7.892 1.773 1.00 0.00 C ATOM 296 CD PRO A 21 -8.899 8.718 0.481 1.00 0.00 C ATOM 0 HA PRO A 21 -5.926 8.404 1.412 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.818 6.069 1.246 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.192 6.859 2.680 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.762 7.267 1.857 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.854 8.538 2.651 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.485 8.226 -0.295 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.345 9.699 0.644 1.00 0.00 H new ATOM 304 N VAL A 22 -4.783 6.428 0.333 1.00 0.00 N ATOM 305 CA VAL A 22 -3.900 5.559 -0.445 1.00 0.00 C ATOM 306 C VAL A 22 -3.157 4.513 0.402 1.00 0.00 C ATOM 307 O VAL A 22 -2.463 4.870 1.352 1.00 0.00 O ATOM 308 CB VAL A 22 -2.995 6.408 -1.355 1.00 0.00 C ATOM 309 CG1 VAL A 22 -1.968 5.529 -2.069 1.00 0.00 C ATOM 310 CG2 VAL A 22 -3.858 7.048 -2.459 1.00 0.00 C ATOM 0 H VAL A 22 -4.431 6.619 1.271 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.520 4.942 -1.096 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.496 7.153 -0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.339 6.150 -2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.347 5.022 -1.331 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.485 4.788 -2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.226 7.652 -3.110 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.339 6.265 -3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.620 7.680 -2.004 1.00 0.00 H new ATOM 320 N LEU A 23 -3.303 3.217 0.051 1.00 0.00 N ATOM 321 CA LEU A 23 -2.712 2.084 0.748 1.00 0.00 C ATOM 322 C LEU A 23 -1.589 1.529 -0.109 1.00 0.00 C ATOM 323 O LEU A 23 -1.820 1.186 -1.270 1.00 0.00 O ATOM 324 CB LEU A 23 -3.809 1.042 1.018 1.00 0.00 C ATOM 325 CG LEU A 23 -3.383 -0.327 1.576 1.00 0.00 C ATOM 326 CD1 LEU A 23 -4.625 -0.991 2.188 1.00 0.00 C ATOM 327 CD2 LEU A 23 -2.850 -1.270 0.481 1.00 0.00 C ATOM 0 H LEU A 23 -3.858 2.935 -0.757 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.291 2.378 1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.521 1.480 1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.344 0.870 0.084 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.587 -0.160 2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.354 -1.966 2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.017 -0.362 2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.387 -1.117 1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.563 -2.222 0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.628 -1.439 -0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.981 -0.818 0.003 1.00 0.00 H new ATOM 339 N VAL A 24 -0.383 1.457 0.460 1.00 0.00 N ATOM 340 CA VAL A 24 0.771 0.886 -0.204 1.00 0.00 C ATOM 341 C VAL A 24 1.147 -0.399 0.513 1.00 0.00 C ATOM 342 O VAL A 24 1.214 -0.431 1.745 1.00 0.00 O ATOM 343 CB VAL A 24 1.974 1.844 -0.231 1.00 0.00 C ATOM 344 CG1 VAL A 24 1.556 3.238 -0.684 1.00 0.00 C ATOM 345 CG2 VAL A 24 2.723 1.948 1.102 1.00 0.00 C ATOM 0 H VAL A 24 -0.188 1.798 1.401 1.00 0.00 H new ATOM 0 HA VAL A 24 0.506 0.691 -1.243 1.00 0.00 H new ATOM 0 HB VAL A 24 2.666 1.406 -0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.427 3.894 -0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.132 3.183 -1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.810 3.636 0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.556 2.643 0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.044 2.309 1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.103 0.966 1.384 1.00 0.00 H new ATOM 355 N ASP A 25 1.388 -1.452 -0.263 1.00 0.00 N ATOM 356 CA ASP A 25 1.965 -2.675 0.262 1.00 0.00 C ATOM 357 C ASP A 25 3.459 -2.572 -0.025 1.00 0.00 C ATOM 358 O ASP A 25 3.844 -2.359 -1.177 1.00 0.00 O ATOM 359 CB ASP A 25 1.354 -3.923 -0.382 1.00 0.00 C ATOM 360 CG ASP A 25 2.105 -5.194 0.028 1.00 0.00 C ATOM 361 OD1 ASP A 25 2.438 -5.304 1.229 1.00 0.00 O ATOM 362 OD2 ASP A 25 2.339 -6.030 -0.872 1.00 0.00 O ATOM 0 H ASP A 25 1.189 -1.477 -1.263 1.00 0.00 H new ATOM 0 HA ASP A 25 1.764 -2.780 1.328 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.307 -4.008 -0.091 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.375 -3.821 -1.467 1.00 0.00 H new ATOM 367 N PHE A 26 4.300 -2.670 1.002 1.00 0.00 N ATOM 368 CA PHE A 26 5.741 -2.672 0.818 1.00 0.00 C ATOM 369 C PHE A 26 6.067 -4.085 0.364 1.00 0.00 C ATOM 370 O PHE A 26 5.897 -5.019 1.147 1.00 0.00 O ATOM 371 CB PHE A 26 6.468 -2.337 2.124 1.00 0.00 C ATOM 372 CG PHE A 26 6.541 -0.856 2.436 1.00 0.00 C ATOM 373 CD1 PHE A 26 5.429 -0.187 2.979 1.00 0.00 C ATOM 374 CD2 PHE A 26 7.736 -0.148 2.203 1.00 0.00 C ATOM 375 CE1 PHE A 26 5.528 1.168 3.335 1.00 0.00 C ATOM 376 CE2 PHE A 26 7.841 1.203 2.580 1.00 0.00 C ATOM 377 CZ PHE A 26 6.738 1.858 3.155 1.00 0.00 C ATOM 0 H PHE A 26 4.001 -2.749 1.974 1.00 0.00 H new ATOM 0 HA PHE A 26 6.062 -1.920 0.097 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.965 -2.845 2.947 1.00 0.00 H new ATOM 0 HB3 PHE A 26 7.481 -2.736 2.075 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.498 -0.716 3.122 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.573 -0.643 1.734 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.672 1.681 3.748 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.768 1.736 2.428 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.821 2.891 3.458 1.00 0.00 H new ATOM 387 N TRP A 27 6.474 -4.240 -0.896 1.00 0.00 N ATOM 388 CA TRP A 27 6.738 -5.540 -1.488 1.00 0.00 C ATOM 389 C TRP A 27 8.158 -5.618 -2.022 1.00 0.00 C ATOM 390 O TRP A 27 8.963 -4.704 -1.861 1.00 0.00 O ATOM 391 CB TRP A 27 5.726 -5.802 -2.613 1.00 0.00 C ATOM 392 CG TRP A 27 5.959 -5.014 -3.859 1.00 0.00 C ATOM 393 CD1 TRP A 27 5.707 -3.702 -4.009 1.00 0.00 C ATOM 394 CD2 TRP A 27 6.601 -5.440 -5.092 1.00 0.00 C ATOM 395 NE1 TRP A 27 6.195 -3.260 -5.222 1.00 0.00 N ATOM 396 CE2 TRP A 27 6.778 -4.297 -5.923 1.00 0.00 C ATOM 397 CE3 TRP A 27 7.069 -6.674 -5.586 1.00 0.00 C ATOM 398 CZ2 TRP A 27 7.427 -4.375 -7.163 1.00 0.00 C ATOM 399 CZ3 TRP A 27 7.701 -6.765 -6.839 1.00 0.00 C ATOM 400 CH2 TRP A 27 7.890 -5.616 -7.624 1.00 0.00 C ATOM 0 H TRP A 27 6.629 -3.459 -1.534 1.00 0.00 H new ATOM 0 HA TRP A 27 6.631 -6.305 -0.719 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.747 -6.863 -2.862 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.725 -5.581 -2.242 1.00 0.00 H new ATOM 0 HD1 TRP A 27 5.197 -3.084 -3.285 1.00 0.00 H new ATOM 0 HE1 TRP A 27 6.133 -2.298 -5.555 1.00 0.00 H new ATOM 0 HE3 TRP A 27 6.940 -7.566 -4.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 7.569 -3.486 -7.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 8.043 -7.724 -7.200 1.00 0.00 H new ATOM 0 HH2 TRP A 27 8.390 -5.688 -8.579 1.00 0.00 H new ATOM 411 N ALA A 28 8.455 -6.719 -2.698 1.00 0.00 N ATOM 412 CA ALA A 28 9.702 -6.984 -3.385 1.00 0.00 C ATOM 413 C ALA A 28 9.456 -8.276 -4.165 1.00 0.00 C ATOM 414 O ALA A 28 8.557 -9.028 -3.786 1.00 0.00 O ATOM 415 CB ALA A 28 10.840 -7.164 -2.372 1.00 0.00 C ATOM 0 H ALA A 28 7.793 -7.491 -2.784 1.00 0.00 H new ATOM 0 HA ALA A 28 9.996 -6.165 -4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.771 -7.363 -2.902 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.947 -6.255 -1.779 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.612 -8.002 -1.713 1.00 0.00 H new ATOM 421 N PRO A 29 10.206 -8.580 -5.230 1.00 0.00 N ATOM 422 CA PRO A 29 9.998 -9.795 -6.001 1.00 0.00 C ATOM 423 C PRO A 29 10.164 -11.028 -5.115 1.00 0.00 C ATOM 424 O PRO A 29 9.411 -11.990 -5.231 1.00 0.00 O ATOM 425 CB PRO A 29 11.011 -9.743 -7.144 1.00 0.00 C ATOM 426 CG PRO A 29 12.082 -8.765 -6.656 1.00 0.00 C ATOM 427 CD PRO A 29 11.291 -7.798 -5.777 1.00 0.00 C ATOM 0 HA PRO A 29 8.987 -9.864 -6.402 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.434 -10.727 -7.346 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.549 -9.398 -8.069 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.866 -9.273 -6.093 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.567 -8.251 -7.486 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.916 -7.385 -4.985 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.915 -6.956 -6.358 1.00 0.00 H new ATOM 435 N TRP A 30 11.135 -10.978 -4.201 1.00 0.00 N ATOM 436 CA TRP A 30 11.374 -12.043 -3.244 1.00 0.00 C ATOM 437 C TRP A 30 10.301 -12.062 -2.147 1.00 0.00 C ATOM 438 O TRP A 30 10.254 -13.005 -1.357 1.00 0.00 O ATOM 439 CB TRP A 30 12.781 -11.882 -2.659 1.00 0.00 C ATOM 440 CG TRP A 30 13.138 -10.525 -2.128 1.00 0.00 C ATOM 441 CD1 TRP A 30 13.854 -9.592 -2.794 1.00 0.00 C ATOM 442 CD2 TRP A 30 12.830 -9.935 -0.829 1.00 0.00 C ATOM 443 NE1 TRP A 30 14.039 -8.484 -1.997 1.00 0.00 N ATOM 444 CE2 TRP A 30 13.420 -8.637 -0.773 1.00 0.00 C ATOM 445 CE3 TRP A 30 12.105 -10.356 0.307 1.00 0.00 C ATOM 446 CZ2 TRP A 30 13.298 -7.802 0.348 1.00 0.00 C ATOM 447 CZ3 TRP A 30 11.984 -9.532 1.441 1.00 0.00 C ATOM 448 CH2 TRP A 30 12.568 -8.253 1.459 1.00 0.00 C ATOM 0 H TRP A 30 11.777 -10.191 -4.109 1.00 0.00 H new ATOM 0 HA TRP A 30 11.311 -13.005 -3.753 1.00 0.00 H new ATOM 0 HB2 TRP A 30 12.899 -12.605 -1.852 1.00 0.00 H new ATOM 0 HB3 TRP A 30 13.503 -12.146 -3.432 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.226 -9.699 -3.802 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.566 -7.656 -2.276 1.00 0.00 H new ATOM 0 HE3 TRP A 30 11.635 -11.328 0.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 13.759 -6.826 0.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 11.439 -9.884 2.304 1.00 0.00 H new ATOM 0 HH2 TRP A 30 12.455 -7.619 2.326 1.00 0.00 H new ATOM 459 N CYS A 31 9.413 -11.065 -2.061 1.00 0.00 N ATOM 460 CA CYS A 31 8.368 -11.113 -1.040 1.00 0.00 C ATOM 461 C CYS A 31 7.233 -12.031 -1.508 1.00 0.00 C ATOM 462 O CYS A 31 6.238 -11.578 -2.076 1.00 0.00 O ATOM 463 CB CYS A 31 7.844 -9.725 -0.684 1.00 0.00 C ATOM 464 SG CYS A 31 6.510 -9.826 0.534 1.00 0.00 S ATOM 0 H CYS A 31 9.397 -10.243 -2.665 1.00 0.00 H new ATOM 0 HA CYS A 31 8.805 -11.520 -0.128 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.657 -9.116 -0.288 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.482 -9.227 -1.584 1.00 0.00 H new ATOM 469 N GLY A 32 7.387 -13.333 -1.257 1.00 0.00 N ATOM 470 CA GLY A 32 6.405 -14.364 -1.583 1.00 0.00 C ATOM 471 C GLY A 32 4.957 -13.929 -1.305 1.00 0.00 C ATOM 472 O GLY A 32 4.158 -13.871 -2.241 1.00 0.00 O ATOM 0 H GLY A 32 8.223 -13.708 -0.808 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.502 -14.630 -2.636 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.625 -15.262 -1.006 1.00 0.00 H new ATOM 476 N PRO A 33 4.603 -13.621 -0.041 1.00 0.00 N ATOM 477 CA PRO A 33 3.276 -13.153 0.338 1.00 0.00 C ATOM 478 C PRO A 33 2.776 -12.041 -0.582 1.00 0.00 C ATOM 479 O PRO A 33 1.662 -12.097 -1.097 1.00 0.00 O ATOM 480 CB PRO A 33 3.409 -12.654 1.779 1.00 0.00 C ATOM 481 CG PRO A 33 4.501 -13.560 2.337 1.00 0.00 C ATOM 482 CD PRO A 33 5.443 -13.735 1.142 1.00 0.00 C ATOM 0 HA PRO A 33 2.543 -13.955 0.252 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.692 -11.602 1.821 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.475 -12.755 2.332 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.008 -13.105 3.188 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.099 -14.514 2.678 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.223 -12.974 1.143 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.943 -14.703 1.176 1.00 0.00 H new ATOM 490 N CYS A 34 3.632 -11.040 -0.789 1.00 0.00 N ATOM 491 CA CYS A 34 3.338 -9.875 -1.606 1.00 0.00 C ATOM 492 C CYS A 34 2.970 -10.327 -3.014 1.00 0.00 C ATOM 493 O CYS A 34 1.940 -9.929 -3.551 1.00 0.00 O ATOM 494 CB CYS A 34 4.508 -8.904 -1.645 1.00 0.00 C ATOM 495 SG CYS A 34 5.166 -8.352 -0.053 1.00 0.00 S ATOM 0 H CYS A 34 4.567 -11.021 -0.382 1.00 0.00 H new ATOM 0 HA CYS A 34 2.497 -9.345 -1.160 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.319 -9.372 -2.203 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.200 -8.023 -2.208 1.00 0.00 H new ATOM 500 N ARG A 35 3.812 -11.171 -3.613 1.00 0.00 N ATOM 501 CA ARG A 35 3.589 -11.682 -4.953 1.00 0.00 C ATOM 502 C ARG A 35 2.273 -12.445 -5.066 1.00 0.00 C ATOM 503 O ARG A 35 1.534 -12.226 -6.022 1.00 0.00 O ATOM 504 CB ARG A 35 4.779 -12.552 -5.372 1.00 0.00 C ATOM 505 CG ARG A 35 6.077 -11.766 -5.623 1.00 0.00 C ATOM 506 CD ARG A 35 5.959 -10.760 -6.778 1.00 0.00 C ATOM 507 NE ARG A 35 5.355 -9.493 -6.341 1.00 0.00 N ATOM 508 CZ ARG A 35 4.868 -8.551 -7.161 1.00 0.00 C ATOM 509 NH1 ARG A 35 5.031 -8.657 -8.484 1.00 0.00 N ATOM 510 NH2 ARG A 35 4.222 -7.499 -6.648 1.00 0.00 N ATOM 0 H ARG A 35 4.667 -11.516 -3.176 1.00 0.00 H new ATOM 0 HA ARG A 35 3.509 -10.835 -5.634 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.962 -13.296 -4.596 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.516 -13.096 -6.279 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.354 -11.234 -4.713 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.883 -12.467 -5.841 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.948 -10.567 -7.194 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.357 -11.193 -7.577 1.00 0.00 H new ATOM 0 HE ARG A 35 5.302 -9.317 -5.338 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.528 -9.458 -8.874 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.658 -7.937 -9.103 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.102 -7.417 -5.638 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.849 -6.779 -7.266 1.00 0.00 H new ATOM 524 N ILE A 36 1.958 -13.335 -4.124 1.00 0.00 N ATOM 525 CA ILE A 36 0.714 -14.089 -4.254 1.00 0.00 C ATOM 526 C ILE A 36 -0.509 -13.174 -4.102 1.00 0.00 C ATOM 527 O ILE A 36 -1.485 -13.372 -4.822 1.00 0.00 O ATOM 528 CB ILE A 36 0.681 -15.306 -3.315 1.00 0.00 C ATOM 529 CG1 ILE A 36 0.772 -14.908 -1.838 1.00 0.00 C ATOM 530 CG2 ILE A 36 1.839 -16.238 -3.702 1.00 0.00 C ATOM 531 CD1 ILE A 36 0.432 -16.051 -0.888 1.00 0.00 C ATOM 0 H ILE A 36 2.519 -13.545 -3.298 1.00 0.00 H new ATOM 0 HA ILE A 36 0.672 -14.495 -5.265 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.276 -15.815 -3.431 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.781 -14.554 -1.625 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.096 -14.074 -1.650 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.837 -17.111 -3.049 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.718 -16.559 -4.737 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.785 -15.707 -3.595 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.515 -15.705 0.142 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.587 -16.390 -1.076 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.124 -16.877 -1.050 1.00 0.00 H new ATOM 543 N ILE A 37 -0.489 -12.184 -3.197 1.00 0.00 N ATOM 544 CA ILE A 37 -1.638 -11.280 -3.067 1.00 0.00 C ATOM 545 C ILE A 37 -1.665 -10.219 -4.184 1.00 0.00 C ATOM 546 O ILE A 37 -2.737 -9.732 -4.531 1.00 0.00 O ATOM 547 CB ILE A 37 -1.718 -10.637 -1.666 1.00 0.00 C ATOM 548 CG1 ILE A 37 -0.567 -9.654 -1.393 1.00 0.00 C ATOM 549 CG2 ILE A 37 -1.784 -11.741 -0.600 1.00 0.00 C ATOM 550 CD1 ILE A 37 -0.566 -9.100 0.036 1.00 0.00 C ATOM 0 H ILE A 37 0.286 -11.993 -2.562 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.532 -11.893 -3.185 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.629 -10.040 -1.623 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.382 -10.156 -1.581 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.633 -8.824 -2.097 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.840 -11.288 0.390 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.667 -12.357 -0.768 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.891 -12.363 -0.664 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.272 -8.414 0.160 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.500 -8.570 0.221 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.469 -9.922 0.745 1.00 0.00 H new ATOM 562 N ALA A 38 -0.526 -9.901 -4.808 1.00 0.00 N ATOM 563 CA ALA A 38 -0.380 -8.870 -5.839 1.00 0.00 C ATOM 564 C ALA A 38 -1.525 -8.754 -6.866 1.00 0.00 C ATOM 565 O ALA A 38 -1.990 -7.632 -7.076 1.00 0.00 O ATOM 566 CB ALA A 38 0.946 -9.064 -6.584 1.00 0.00 C ATOM 0 H ALA A 38 0.354 -10.374 -4.600 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.408 -7.933 -5.283 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.049 -8.295 -7.349 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.774 -8.988 -5.879 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.959 -10.047 -7.054 1.00 0.00 H new ATOM 572 N PRO A 39 -2.006 -9.815 -7.541 1.00 0.00 N ATOM 573 CA PRO A 39 -3.060 -9.644 -8.528 1.00 0.00 C ATOM 574 C PRO A 39 -4.374 -9.283 -7.829 1.00 0.00 C ATOM 575 O PRO A 39 -5.207 -8.572 -8.386 1.00 0.00 O ATOM 576 CB PRO A 39 -3.134 -10.966 -9.290 1.00 0.00 C ATOM 577 CG PRO A 39 -2.696 -12.001 -8.257 1.00 0.00 C ATOM 578 CD PRO A 39 -1.776 -11.233 -7.302 1.00 0.00 C ATOM 0 HA PRO A 39 -2.862 -8.828 -9.223 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.143 -11.164 -9.653 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -2.477 -10.965 -10.160 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.552 -12.421 -7.730 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -2.172 -12.833 -8.728 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.994 -11.490 -6.266 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.732 -11.490 -7.481 1.00 0.00 H new ATOM 586 N VAL A 40 -4.547 -9.750 -6.590 1.00 0.00 N ATOM 587 CA VAL A 40 -5.707 -9.443 -5.776 1.00 0.00 C ATOM 588 C VAL A 40 -5.610 -7.964 -5.376 1.00 0.00 C ATOM 589 O VAL A 40 -6.584 -7.222 -5.470 1.00 0.00 O ATOM 590 CB VAL A 40 -5.772 -10.394 -4.566 1.00 0.00 C ATOM 591 CG1 VAL A 40 -7.165 -10.330 -3.940 1.00 0.00 C ATOM 592 CG2 VAL A 40 -5.495 -11.854 -4.954 1.00 0.00 C ATOM 0 H VAL A 40 -3.873 -10.359 -6.126 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.636 -9.595 -6.325 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.004 -10.069 -3.865 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.210 -11.003 -3.084 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.370 -9.311 -3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.909 -10.630 -4.677 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.553 -12.484 -4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.236 -12.184 -5.682 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.499 -11.932 -5.390 1.00 0.00 H new ATOM 602 N VAL A 41 -4.420 -7.512 -4.961 1.00 0.00 N ATOM 603 CA VAL A 41 -4.171 -6.101 -4.671 1.00 0.00 C ATOM 604 C VAL A 41 -4.576 -5.289 -5.912 1.00 0.00 C ATOM 605 O VAL A 41 -5.260 -4.272 -5.802 1.00 0.00 O ATOM 606 CB VAL A 41 -2.690 -5.876 -4.290 1.00 0.00 C ATOM 607 CG1 VAL A 41 -2.382 -4.400 -4.010 1.00 0.00 C ATOM 608 CG2 VAL A 41 -2.279 -6.670 -3.044 1.00 0.00 C ATOM 0 H VAL A 41 -3.609 -8.113 -4.818 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.762 -5.773 -3.816 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.124 -6.222 -5.155 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.330 -4.291 -3.747 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.596 -3.808 -4.900 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.001 -4.050 -3.184 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.230 -6.477 -2.819 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.894 -6.363 -2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.420 -7.735 -3.228 1.00 0.00 H new ATOM 618 N ASP A 42 -4.184 -5.762 -7.100 1.00 0.00 N ATOM 619 CA ASP A 42 -4.507 -5.095 -8.352 1.00 0.00 C ATOM 620 C ASP A 42 -6.017 -5.039 -8.595 1.00 0.00 C ATOM 621 O ASP A 42 -6.561 -3.961 -8.815 1.00 0.00 O ATOM 622 CB ASP A 42 -3.792 -5.777 -9.522 1.00 0.00 C ATOM 623 CG ASP A 42 -3.447 -4.744 -10.585 1.00 0.00 C ATOM 624 OD1 ASP A 42 -2.494 -3.971 -10.340 1.00 0.00 O ATOM 625 OD2 ASP A 42 -4.140 -4.701 -11.621 1.00 0.00 O ATOM 0 H ASP A 42 -3.636 -6.615 -7.214 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.154 -4.066 -8.278 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.885 -6.268 -9.170 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.429 -6.552 -9.948 1.00 0.00 H new ATOM 630 N GLU A 43 -6.723 -6.171 -8.564 1.00 0.00 N ATOM 631 CA GLU A 43 -8.162 -6.138 -8.812 1.00 0.00 C ATOM 632 C GLU A 43 -8.857 -5.217 -7.797 1.00 0.00 C ATOM 633 O GLU A 43 -9.746 -4.445 -8.161 1.00 0.00 O ATOM 634 CB GLU A 43 -8.745 -7.555 -8.846 1.00 0.00 C ATOM 635 CG GLU A 43 -9.130 -8.135 -7.479 1.00 0.00 C ATOM 636 CD GLU A 43 -9.621 -9.573 -7.564 1.00 0.00 C ATOM 637 OE1 GLU A 43 -9.809 -10.059 -8.702 1.00 0.00 O ATOM 638 OE2 GLU A 43 -9.804 -10.166 -6.479 1.00 0.00 O ATOM 0 H GLU A 43 -6.335 -7.095 -8.375 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.348 -5.713 -9.798 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.629 -7.552 -9.484 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.018 -8.219 -9.313 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.267 -8.089 -6.814 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.909 -7.516 -7.033 1.00 0.00 H new ATOM 645 N ILE A 44 -8.429 -5.263 -6.531 1.00 0.00 N ATOM 646 CA ILE A 44 -8.943 -4.370 -5.507 1.00 0.00 C ATOM 647 C ILE A 44 -8.691 -2.927 -5.949 1.00 0.00 C ATOM 648 O ILE A 44 -9.598 -2.099 -5.875 1.00 0.00 O ATOM 649 CB ILE A 44 -8.323 -4.742 -4.148 1.00 0.00 C ATOM 650 CG1 ILE A 44 -8.963 -6.074 -3.715 1.00 0.00 C ATOM 651 CG2 ILE A 44 -8.586 -3.662 -3.091 1.00 0.00 C ATOM 652 CD1 ILE A 44 -8.335 -6.693 -2.471 1.00 0.00 C ATOM 0 H ILE A 44 -7.722 -5.918 -6.197 1.00 0.00 H new ATOM 0 HA ILE A 44 -10.020 -4.471 -5.377 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.241 -4.830 -4.244 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -10.025 -5.911 -3.530 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.889 -6.785 -4.538 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.133 -3.960 -2.145 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -8.151 -2.718 -3.420 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.661 -3.539 -2.956 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.843 -7.628 -2.234 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.279 -6.891 -2.656 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.433 -6.004 -1.632 1.00 0.00 H new ATOM 664 N ALA A 45 -7.487 -2.611 -6.435 1.00 0.00 N ATOM 665 CA ALA A 45 -7.222 -1.285 -6.981 1.00 0.00 C ATOM 666 C ALA A 45 -8.281 -0.941 -8.021 1.00 0.00 C ATOM 667 O ALA A 45 -8.798 0.170 -8.016 1.00 0.00 O ATOM 668 CB ALA A 45 -5.849 -1.229 -7.638 1.00 0.00 C ATOM 0 H ALA A 45 -6.692 -3.249 -6.460 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.249 -0.568 -6.161 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.677 -0.229 -8.037 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.082 -1.462 -6.899 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.804 -1.956 -8.449 1.00 0.00 H new ATOM 674 N GLY A 46 -8.585 -1.901 -8.900 1.00 0.00 N ATOM 675 CA GLY A 46 -9.638 -1.788 -9.894 1.00 0.00 C ATOM 676 C GLY A 46 -10.938 -1.325 -9.233 1.00 0.00 C ATOM 677 O GLY A 46 -11.483 -0.288 -9.605 1.00 0.00 O ATOM 0 H GLY A 46 -8.092 -2.793 -8.935 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.343 -1.080 -10.669 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.792 -2.750 -10.383 1.00 0.00 H new ATOM 681 N GLU A 47 -11.418 -2.072 -8.232 1.00 0.00 N ATOM 682 CA GLU A 47 -12.636 -1.740 -7.505 1.00 0.00 C ATOM 683 C GLU A 47 -12.621 -0.285 -7.031 1.00 0.00 C ATOM 684 O GLU A 47 -13.565 0.472 -7.247 1.00 0.00 O ATOM 685 CB GLU A 47 -12.785 -2.639 -6.272 1.00 0.00 C ATOM 686 CG GLU A 47 -12.897 -4.145 -6.543 1.00 0.00 C ATOM 687 CD GLU A 47 -12.830 -4.934 -5.235 1.00 0.00 C ATOM 688 OE1 GLU A 47 -13.145 -4.327 -4.185 1.00 0.00 O ATOM 689 OE2 GLU A 47 -12.438 -6.120 -5.308 1.00 0.00 O ATOM 0 H GLU A 47 -10.966 -2.927 -7.907 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.470 -1.892 -8.190 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.928 -2.471 -5.620 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.671 -2.323 -5.722 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.835 -4.359 -7.055 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.092 -4.461 -7.206 1.00 0.00 H new ATOM 696 N TYR A 48 -11.536 0.107 -6.362 1.00 0.00 N ATOM 697 CA TYR A 48 -11.428 1.440 -5.780 1.00 0.00 C ATOM 698 C TYR A 48 -10.854 2.483 -6.755 1.00 0.00 C ATOM 699 O TYR A 48 -10.410 3.541 -6.304 1.00 0.00 O ATOM 700 CB TYR A 48 -10.642 1.352 -4.462 1.00 0.00 C ATOM 701 CG TYR A 48 -11.367 0.553 -3.389 1.00 0.00 C ATOM 702 CD1 TYR A 48 -12.406 1.146 -2.644 1.00 0.00 C ATOM 703 CD2 TYR A 48 -11.073 -0.808 -3.199 1.00 0.00 C ATOM 704 CE1 TYR A 48 -13.150 0.378 -1.729 1.00 0.00 C ATOM 705 CE2 TYR A 48 -11.842 -1.584 -2.316 1.00 0.00 C ATOM 706 CZ TYR A 48 -12.878 -0.994 -1.578 1.00 0.00 C ATOM 707 OH TYR A 48 -13.557 -1.749 -0.672 1.00 0.00 O ATOM 0 H TYR A 48 -10.718 -0.484 -6.211 1.00 0.00 H new ATOM 0 HA TYR A 48 -12.432 1.804 -5.563 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.671 0.895 -4.654 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.452 2.359 -4.091 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -12.632 2.194 -2.776 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.251 -1.260 -3.735 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.930 0.842 -1.143 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.635 -2.638 -2.205 1.00 0.00 H new ATOM 0 HH TYR A 48 -13.887 -1.175 0.051 1.00 0.00 H new ATOM 717 N LYS A 49 -10.893 2.234 -8.075 1.00 0.00 N ATOM 718 CA LYS A 49 -10.429 3.208 -9.061 1.00 0.00 C ATOM 719 C LYS A 49 -11.174 4.528 -8.888 1.00 0.00 C ATOM 720 O LYS A 49 -12.307 4.547 -8.402 1.00 0.00 O ATOM 721 CB LYS A 49 -10.652 2.701 -10.497 1.00 0.00 C ATOM 722 CG LYS A 49 -9.485 1.833 -10.968 1.00 0.00 C ATOM 723 CD LYS A 49 -8.266 2.688 -11.349 1.00 0.00 C ATOM 724 CE LYS A 49 -6.957 1.962 -11.031 1.00 0.00 C ATOM 725 NZ LYS A 49 -6.744 1.828 -9.577 1.00 0.00 N ATOM 0 H LYS A 49 -11.242 1.364 -8.478 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.361 3.355 -8.898 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.577 2.126 -10.542 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.771 3.550 -11.170 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.208 1.134 -10.179 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.796 1.238 -11.826 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.304 2.926 -12.412 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.300 3.634 -10.809 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.969 0.973 -11.489 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.123 2.507 -11.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.790 1.455 -9.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.842 2.759 -9.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.450 1.175 -9.181 1.00 0.00 H new ATOM 739 N ASP A 50 -10.521 5.626 -9.290 1.00 0.00 N ATOM 740 CA ASP A 50 -11.009 7.004 -9.238 1.00 0.00 C ATOM 741 C ASP A 50 -11.016 7.540 -7.812 1.00 0.00 C ATOM 742 O ASP A 50 -10.449 8.590 -7.523 1.00 0.00 O ATOM 743 CB ASP A 50 -12.419 7.113 -9.830 1.00 0.00 C ATOM 744 CG ASP A 50 -12.818 8.571 -10.010 1.00 0.00 C ATOM 745 OD1 ASP A 50 -12.386 9.155 -11.027 1.00 0.00 O ATOM 746 OD2 ASP A 50 -13.544 9.071 -9.124 1.00 0.00 O ATOM 0 H ASP A 50 -9.582 5.569 -9.683 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.324 7.606 -9.835 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.456 6.600 -10.791 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.133 6.614 -9.175 1.00 0.00 H new ATOM 751 N LYS A 51 -11.640 6.779 -6.921 1.00 0.00 N ATOM 752 CA LYS A 51 -11.880 7.168 -5.557 1.00 0.00 C ATOM 753 C LYS A 51 -10.679 7.031 -4.652 1.00 0.00 C ATOM 754 O LYS A 51 -10.395 7.964 -3.908 1.00 0.00 O ATOM 755 CB LYS A 51 -12.932 6.248 -4.931 1.00 0.00 C ATOM 756 CG LYS A 51 -14.290 6.293 -5.647 1.00 0.00 C ATOM 757 CD LYS A 51 -15.257 5.209 -5.140 1.00 0.00 C ATOM 758 CE LYS A 51 -14.773 3.758 -5.328 1.00 0.00 C ATOM 759 NZ LYS A 51 -14.408 3.442 -6.724 1.00 0.00 N ATOM 0 H LYS A 51 -11.999 5.851 -7.144 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.179 8.214 -5.622 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.559 5.224 -4.940 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.072 6.527 -3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.741 7.275 -5.503 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -14.137 6.167 -6.719 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.444 5.378 -4.080 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.211 5.326 -5.654 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.910 3.584 -4.685 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -15.557 3.075 -5.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.140 2.440 -6.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.221 3.627 -7.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.606 4.036 -7.016 1.00 0.00 H new ATOM 773 N LEU A 52 -10.048 5.854 -4.644 1.00 0.00 N ATOM 774 CA LEU A 52 -9.225 5.535 -3.491 1.00 0.00 C ATOM 775 C LEU A 52 -7.949 4.693 -3.711 1.00 0.00 C ATOM 776 O LEU A 52 -7.400 4.547 -4.801 1.00 0.00 O ATOM 777 CB LEU A 52 -10.205 4.910 -2.455 1.00 0.00 C ATOM 778 CG LEU A 52 -10.169 5.604 -1.082 1.00 0.00 C ATOM 779 CD1 LEU A 52 -11.380 6.536 -0.921 1.00 0.00 C ATOM 780 CD2 LEU A 52 -10.206 4.568 0.034 1.00 0.00 C ATOM 0 H LEU A 52 -10.088 5.148 -5.379 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.756 6.457 -3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.219 4.958 -2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.962 3.855 -2.327 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.247 6.183 -1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.340 7.019 0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.361 7.295 -1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -12.299 5.955 -1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.180 5.073 1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.121 3.981 -0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.343 3.908 -0.054 1.00 0.00 H new ATOM 792 N LYS A 53 -7.559 4.095 -2.587 1.00 0.00 N ATOM 793 CA LYS A 53 -6.283 3.592 -2.144 1.00 0.00 C ATOM 794 C LYS A 53 -5.583 2.297 -2.578 1.00 0.00 C ATOM 795 O LYS A 53 -5.494 1.394 -1.762 1.00 0.00 O ATOM 796 CB LYS A 53 -6.548 3.491 -0.597 1.00 0.00 C ATOM 797 CG LYS A 53 -7.345 2.287 -0.014 1.00 0.00 C ATOM 798 CD LYS A 53 -8.366 1.572 -0.923 1.00 0.00 C ATOM 799 CE LYS A 53 -9.188 0.526 -0.160 1.00 0.00 C ATOM 800 NZ LYS A 53 -8.356 -0.591 0.323 1.00 0.00 N ATOM 0 H LYS A 53 -8.255 3.933 -1.859 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.566 4.263 -2.616 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.577 3.506 -0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.072 4.399 -0.299 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.623 1.543 0.323 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.877 2.638 0.870 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.038 2.309 -1.362 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.841 1.089 -1.747 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.682 1.002 0.687 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.973 0.138 -0.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.960 -1.298 0.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.864 -1.031 -0.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.655 -0.233 1.003 1.00 0.00 H new ATOM 814 N CYS A 54 -4.869 2.221 -3.710 1.00 0.00 N ATOM 815 CA CYS A 54 -4.095 0.990 -3.945 1.00 0.00 C ATOM 816 C CYS A 54 -2.799 1.183 -4.731 1.00 0.00 C ATOM 817 O CYS A 54 -2.819 1.665 -5.864 1.00 0.00 O ATOM 818 CB CYS A 54 -4.973 -0.040 -4.635 1.00 0.00 C ATOM 819 SG CYS A 54 -4.180 -1.636 -4.388 1.00 0.00 S ATOM 0 H CYS A 54 -4.809 2.939 -4.432 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.784 0.644 -2.959 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.978 -0.037 -4.214 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -5.072 0.184 -5.697 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.824 -2.548 -5.054 1.00 0.00 H new ATOM 825 N VAL A 55 -1.669 0.792 -4.125 1.00 0.00 N ATOM 826 CA VAL A 55 -0.343 0.891 -4.716 1.00 0.00 C ATOM 827 C VAL A 55 0.581 -0.172 -4.106 1.00 0.00 C ATOM 828 O VAL A 55 0.257 -0.788 -3.089 1.00 0.00 O ATOM 829 CB VAL A 55 0.250 2.306 -4.516 1.00 0.00 C ATOM 830 CG1 VAL A 55 0.648 2.905 -5.862 1.00 0.00 C ATOM 831 CG2 VAL A 55 -0.673 3.324 -3.843 1.00 0.00 C ATOM 0 H VAL A 55 -1.660 0.390 -3.188 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.428 0.714 -5.788 1.00 0.00 H new ATOM 0 HB VAL A 55 1.096 2.139 -3.850 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.064 3.901 -5.708 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.395 2.269 -6.337 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.230 2.974 -6.504 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.157 4.280 -3.753 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.573 3.453 -4.445 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.948 2.966 -2.851 1.00 0.00 H new ATOM 841 N LYS A 56 1.744 -0.376 -4.728 1.00 0.00 N ATOM 842 CA LYS A 56 2.748 -1.346 -4.317 1.00 0.00 C ATOM 843 C LYS A 56 4.139 -0.695 -4.340 1.00 0.00 C ATOM 844 O LYS A 56 4.650 -0.347 -5.407 1.00 0.00 O ATOM 845 CB LYS A 56 2.635 -2.551 -5.263 1.00 0.00 C ATOM 846 CG LYS A 56 1.752 -3.630 -4.620 1.00 0.00 C ATOM 847 CD LYS A 56 1.471 -4.810 -5.558 1.00 0.00 C ATOM 848 CE LYS A 56 0.481 -4.414 -6.662 1.00 0.00 C ATOM 849 NZ LYS A 56 0.066 -5.569 -7.476 1.00 0.00 N ATOM 0 H LYS A 56 2.017 0.149 -5.559 1.00 0.00 H new ATOM 0 HA LYS A 56 2.589 -1.689 -3.295 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.209 -2.239 -6.216 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.625 -2.955 -5.473 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.238 -3.999 -3.717 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.806 -3.183 -4.314 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.404 -5.152 -6.007 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.068 -5.645 -4.986 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.399 -3.954 -6.211 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.939 -3.663 -7.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.343 -5.234 -8.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.892 -6.168 -7.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.645 -6.122 -6.956 1.00 0.00 H new ATOM 863 N LEU A 57 4.758 -0.536 -3.162 1.00 0.00 N ATOM 864 CA LEU A 57 6.065 0.096 -3.004 1.00 0.00 C ATOM 865 C LEU A 57 7.167 -0.952 -3.025 1.00 0.00 C ATOM 866 O LEU A 57 7.248 -1.814 -2.151 1.00 0.00 O ATOM 867 CB LEU A 57 6.077 0.936 -1.718 1.00 0.00 C ATOM 868 CG LEU A 57 7.391 1.648 -1.378 1.00 0.00 C ATOM 869 CD1 LEU A 57 7.935 2.414 -2.579 1.00 0.00 C ATOM 870 CD2 LEU A 57 7.111 2.667 -0.271 1.00 0.00 C ATOM 0 H LEU A 57 4.353 -0.850 -2.280 1.00 0.00 H new ATOM 0 HA LEU A 57 6.255 0.768 -3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.292 1.688 -1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.816 0.286 -0.883 1.00 0.00 H new ATOM 0 HG LEU A 57 8.120 0.897 -1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.867 2.907 -2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.120 1.721 -3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.207 3.162 -2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.034 3.186 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.373 3.390 -0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.726 2.152 0.609 1.00 0.00 H new ATOM 882 N ASN A 58 8.022 -0.897 -4.052 1.00 0.00 N ATOM 883 CA ASN A 58 9.135 -1.830 -4.150 1.00 0.00 C ATOM 884 C ASN A 58 10.181 -1.449 -3.101 1.00 0.00 C ATOM 885 O ASN A 58 10.859 -0.433 -3.224 1.00 0.00 O ATOM 886 CB ASN A 58 9.728 -1.846 -5.558 1.00 0.00 C ATOM 887 CG ASN A 58 10.802 -2.929 -5.642 1.00 0.00 C ATOM 888 OD1 ASN A 58 11.775 -2.907 -4.897 1.00 0.00 O ATOM 889 ND2 ASN A 58 10.633 -3.915 -6.514 1.00 0.00 N ATOM 0 H ASN A 58 7.961 -0.223 -4.815 1.00 0.00 H new ATOM 0 HA ASN A 58 8.781 -2.843 -3.956 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.945 -2.036 -6.292 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.158 -0.873 -5.795 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.318 -4.669 -6.571 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.818 -3.919 -7.127 1.00 0.00 H new ATOM 896 N THR A 59 10.315 -2.284 -2.076 1.00 0.00 N ATOM 897 CA THR A 59 11.170 -2.057 -0.919 1.00 0.00 C ATOM 898 C THR A 59 12.646 -2.156 -1.296 1.00 0.00 C ATOM 899 O THR A 59 13.484 -1.453 -0.742 1.00 0.00 O ATOM 900 CB THR A 59 10.810 -3.091 0.159 1.00 0.00 C ATOM 901 OG1 THR A 59 9.408 -3.109 0.344 1.00 0.00 O ATOM 902 CG2 THR A 59 11.471 -2.761 1.498 1.00 0.00 C ATOM 0 H THR A 59 9.812 -3.170 -2.028 1.00 0.00 H new ATOM 0 HA THR A 59 11.006 -1.050 -0.536 1.00 0.00 H new ATOM 0 HB THR A 59 11.170 -4.063 -0.179 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.995 -3.672 -0.343 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.194 -3.514 2.236 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.554 -2.753 1.377 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.137 -1.780 1.837 1.00 0.00 H new ATOM 910 N ASP A 60 12.961 -3.029 -2.251 1.00 0.00 N ATOM 911 CA ASP A 60 14.313 -3.271 -2.733 1.00 0.00 C ATOM 912 C ASP A 60 14.851 -1.999 -3.406 1.00 0.00 C ATOM 913 O ASP A 60 16.012 -1.627 -3.257 1.00 0.00 O ATOM 914 CB ASP A 60 14.238 -4.466 -3.696 1.00 0.00 C ATOM 915 CG ASP A 60 15.505 -5.307 -3.703 1.00 0.00 C ATOM 916 OD1 ASP A 60 16.512 -4.828 -4.264 1.00 0.00 O ATOM 917 OD2 ASP A 60 15.422 -6.430 -3.153 1.00 0.00 O ATOM 0 H ASP A 60 12.261 -3.602 -2.722 1.00 0.00 H new ATOM 0 HA ASP A 60 15.004 -3.510 -1.925 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.393 -5.096 -3.419 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.046 -4.101 -4.705 1.00 0.00 H new ATOM 922 N GLU A 61 13.948 -1.316 -4.119 1.00 0.00 N ATOM 923 CA GLU A 61 14.170 -0.075 -4.843 1.00 0.00 C ATOM 924 C GLU A 61 13.963 1.155 -3.943 1.00 0.00 C ATOM 925 O GLU A 61 14.518 2.220 -4.208 1.00 0.00 O ATOM 926 CB GLU A 61 13.177 -0.052 -6.013 1.00 0.00 C ATOM 927 CG GLU A 61 13.554 0.946 -7.110 1.00 0.00 C ATOM 928 CD GLU A 61 14.728 0.450 -7.951 1.00 0.00 C ATOM 929 OE1 GLU A 61 14.499 -0.494 -8.738 1.00 0.00 O ATOM 930 OE2 GLU A 61 15.830 1.015 -7.784 1.00 0.00 O ATOM 0 H GLU A 61 12.985 -1.642 -4.206 1.00 0.00 H new ATOM 0 HA GLU A 61 15.200 -0.032 -5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 61 13.114 -1.050 -6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.185 0.194 -5.633 1.00 0.00 H new ATOM 0 HG2 GLU A 61 12.693 1.119 -7.755 1.00 0.00 H new ATOM 0 HG3 GLU A 61 13.811 1.904 -6.657 1.00 0.00 H new ATOM 937 N SER A 62 13.128 1.027 -2.905 1.00 0.00 N ATOM 938 CA SER A 62 12.779 2.067 -1.946 1.00 0.00 C ATOM 939 C SER A 62 13.138 1.660 -0.510 1.00 0.00 C ATOM 940 O SER A 62 12.289 1.767 0.380 1.00 0.00 O ATOM 941 CB SER A 62 11.279 2.350 -2.061 1.00 0.00 C ATOM 942 OG SER A 62 10.970 3.517 -1.333 1.00 0.00 O ATOM 0 H SER A 62 12.655 0.145 -2.706 1.00 0.00 H new ATOM 0 HA SER A 62 13.352 2.965 -2.175 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.000 2.475 -3.107 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.707 1.505 -1.677 1.00 0.00 H new ATOM 0 HG SER A 62 11.220 3.392 -0.394 1.00 0.00 H new ATOM 948 N PRO A 63 14.390 1.250 -0.259 1.00 0.00 N ATOM 949 CA PRO A 63 14.871 0.902 1.063 1.00 0.00 C ATOM 950 C PRO A 63 14.772 2.116 1.957 1.00 0.00 C ATOM 951 O PRO A 63 14.451 2.010 3.129 1.00 0.00 O ATOM 952 CB PRO A 63 16.330 0.504 0.870 1.00 0.00 C ATOM 953 CG PRO A 63 16.777 1.217 -0.402 1.00 0.00 C ATOM 954 CD PRO A 63 15.484 1.239 -1.214 1.00 0.00 C ATOM 0 HA PRO A 63 14.296 0.098 1.522 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.936 0.806 1.724 1.00 0.00 H new ATOM 0 HB3 PRO A 63 16.433 -0.577 0.772 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.150 2.221 -0.199 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.574 0.678 -0.915 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.446 2.119 -1.856 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.421 0.367 -1.864 1.00 0.00 H new ATOM 962 N ASN A 64 15.073 3.261 1.356 1.00 0.00 N ATOM 963 CA ASN A 64 15.058 4.595 1.959 1.00 0.00 C ATOM 964 C ASN A 64 13.877 4.744 2.923 1.00 0.00 C ATOM 965 O ASN A 64 14.045 4.791 4.143 1.00 0.00 O ATOM 966 CB ASN A 64 14.973 5.671 0.859 1.00 0.00 C ATOM 967 CG ASN A 64 16.184 5.717 -0.068 1.00 0.00 C ATOM 968 OD1 ASN A 64 17.117 4.932 0.059 1.00 0.00 O ATOM 969 ND2 ASN A 64 16.162 6.624 -1.037 1.00 0.00 N ATOM 0 H ASN A 64 15.351 3.288 0.375 1.00 0.00 H new ATOM 0 HA ASN A 64 15.982 4.726 2.521 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.079 5.493 0.261 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.853 6.647 1.330 1.00 0.00 H new ATOM 0 HD21 ASN A 64 16.935 6.681 -1.700 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.372 7.264 -1.118 1.00 0.00 H new ATOM 976 N VAL A 65 12.672 4.776 2.353 1.00 0.00 N ATOM 977 CA VAL A 65 11.421 4.944 3.071 1.00 0.00 C ATOM 978 C VAL A 65 11.310 3.898 4.175 1.00 0.00 C ATOM 979 O VAL A 65 11.094 4.220 5.341 1.00 0.00 O ATOM 980 CB VAL A 65 10.260 4.830 2.068 1.00 0.00 C ATOM 981 CG1 VAL A 65 8.905 4.926 2.771 1.00 0.00 C ATOM 982 CG2 VAL A 65 10.357 5.939 1.014 1.00 0.00 C ATOM 0 H VAL A 65 12.542 4.682 1.346 1.00 0.00 H new ATOM 0 HA VAL A 65 11.383 5.925 3.544 1.00 0.00 H new ATOM 0 HB VAL A 65 10.337 3.855 1.587 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.106 4.842 2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.814 4.119 3.498 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.828 5.886 3.282 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.529 5.846 0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.310 6.912 1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.301 5.849 0.477 1.00 0.00 H new ATOM 992 N ALA A 66 11.457 2.635 3.787 1.00 0.00 N ATOM 993 CA ALA A 66 11.373 1.514 4.709 1.00 0.00 C ATOM 994 C ALA A 66 12.351 1.663 5.877 1.00 0.00 C ATOM 995 O ALA A 66 12.006 1.312 6.998 1.00 0.00 O ATOM 996 CB ALA A 66 11.621 0.219 3.942 1.00 0.00 C ATOM 0 H ALA A 66 11.638 2.362 2.821 1.00 0.00 H new ATOM 0 HA ALA A 66 10.374 1.491 5.144 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.560 -0.627 4.627 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.869 0.109 3.161 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.612 0.248 3.489 1.00 0.00 H new ATOM 1002 N SER A 67 13.553 2.188 5.642 1.00 0.00 N ATOM 1003 CA SER A 67 14.558 2.382 6.675 1.00 0.00 C ATOM 1004 C SER A 67 14.090 3.472 7.629 1.00 0.00 C ATOM 1005 O SER A 67 14.119 3.289 8.842 1.00 0.00 O ATOM 1006 CB SER A 67 15.911 2.733 6.048 1.00 0.00 C ATOM 1007 OG SER A 67 16.302 1.717 5.147 1.00 0.00 O ATOM 0 H SER A 67 13.855 2.493 4.717 1.00 0.00 H new ATOM 0 HA SER A 67 14.689 1.457 7.237 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.843 3.687 5.526 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.664 2.849 6.828 1.00 0.00 H new ATOM 0 HG SER A 67 15.777 1.791 4.323 1.00 0.00 H new ATOM 1013 N GLU A 68 13.638 4.597 7.070 1.00 0.00 N ATOM 1014 CA GLU A 68 13.106 5.708 7.850 1.00 0.00 C ATOM 1015 C GLU A 68 11.961 5.219 8.747 1.00 0.00 C ATOM 1016 O GLU A 68 11.874 5.593 9.913 1.00 0.00 O ATOM 1017 CB GLU A 68 12.608 6.809 6.904 1.00 0.00 C ATOM 1018 CG GLU A 68 13.753 7.472 6.127 1.00 0.00 C ATOM 1019 CD GLU A 68 13.215 8.297 4.961 1.00 0.00 C ATOM 1020 OE1 GLU A 68 12.563 9.324 5.249 1.00 0.00 O ATOM 1021 OE2 GLU A 68 13.452 7.880 3.806 1.00 0.00 O ATOM 0 H GLU A 68 13.632 4.760 6.063 1.00 0.00 H new ATOM 0 HA GLU A 68 13.895 6.114 8.483 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.893 6.384 6.200 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.076 7.567 7.480 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.328 8.112 6.796 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.434 6.708 5.753 1.00 0.00 H new ATOM 1028 N TYR A 69 11.087 4.379 8.188 1.00 0.00 N ATOM 1029 CA TYR A 69 9.926 3.840 8.885 1.00 0.00 C ATOM 1030 C TYR A 69 10.272 2.669 9.817 1.00 0.00 C ATOM 1031 O TYR A 69 9.540 2.422 10.772 1.00 0.00 O ATOM 1032 CB TYR A 69 8.882 3.427 7.838 1.00 0.00 C ATOM 1033 CG TYR A 69 7.854 4.516 7.587 1.00 0.00 C ATOM 1034 CD1 TYR A 69 6.952 4.859 8.612 1.00 0.00 C ATOM 1035 CD2 TYR A 69 7.946 5.329 6.442 1.00 0.00 C ATOM 1036 CE1 TYR A 69 6.164 6.017 8.502 1.00 0.00 C ATOM 1037 CE2 TYR A 69 7.128 6.466 6.313 1.00 0.00 C ATOM 1038 CZ TYR A 69 6.248 6.816 7.350 1.00 0.00 C ATOM 1039 OH TYR A 69 5.483 7.939 7.251 1.00 0.00 O ATOM 0 H TYR A 69 11.170 4.052 7.225 1.00 0.00 H new ATOM 0 HA TYR A 69 9.524 4.617 9.535 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.386 3.184 6.903 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.375 2.522 8.172 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.865 4.230 9.486 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.647 5.079 5.660 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.494 6.293 9.303 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.177 7.069 5.418 1.00 0.00 H new ATOM 0 HH TYR A 69 5.659 8.380 6.394 1.00 0.00 H new ATOM 1049 N GLY A 70 11.353 1.938 9.550 1.00 0.00 N ATOM 1050 CA GLY A 70 11.788 0.808 10.364 1.00 0.00 C ATOM 1051 C GLY A 70 11.086 -0.488 9.952 1.00 0.00 C ATOM 1052 O GLY A 70 10.807 -1.353 10.783 1.00 0.00 O ATOM 0 H GLY A 70 11.959 2.118 8.750 1.00 0.00 H new ATOM 0 HA2 GLY A 70 12.867 0.684 10.268 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.583 1.015 11.414 1.00 0.00 H new ATOM 1056 N ILE A 71 10.811 -0.636 8.655 1.00 0.00 N ATOM 1057 CA ILE A 71 10.187 -1.824 8.096 1.00 0.00 C ATOM 1058 C ILE A 71 11.296 -2.867 7.957 1.00 0.00 C ATOM 1059 O ILE A 71 11.965 -2.968 6.930 1.00 0.00 O ATOM 1060 CB ILE A 71 9.487 -1.472 6.772 1.00 0.00 C ATOM 1061 CG1 ILE A 71 8.427 -0.392 7.047 1.00 0.00 C ATOM 1062 CG2 ILE A 71 8.839 -2.711 6.140 1.00 0.00 C ATOM 1063 CD1 ILE A 71 7.667 0.015 5.787 1.00 0.00 C ATOM 0 H ILE A 71 11.021 0.079 7.958 1.00 0.00 H new ATOM 0 HA ILE A 71 9.402 -2.232 8.732 1.00 0.00 H new ATOM 0 HB ILE A 71 10.226 -1.096 6.065 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.720 -0.762 7.790 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.910 0.486 7.476 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.352 -2.431 5.206 1.00 0.00 H new ATOM 0 HG22 ILE A 71 9.605 -3.460 5.939 1.00 0.00 H new ATOM 0 HG23 ILE A 71 8.099 -3.124 6.825 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.931 0.779 6.037 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.367 0.412 5.052 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.159 -0.855 5.371 1.00 0.00 H new ATOM 1075 N ARG A 72 11.472 -3.660 9.012 1.00 0.00 N ATOM 1076 CA ARG A 72 12.530 -4.650 9.134 1.00 0.00 C ATOM 1077 C ARG A 72 12.239 -5.935 8.354 1.00 0.00 C ATOM 1078 O ARG A 72 13.114 -6.788 8.221 1.00 0.00 O ATOM 1079 CB ARG A 72 12.744 -4.967 10.625 1.00 0.00 C ATOM 1080 CG ARG A 72 11.639 -5.781 11.330 1.00 0.00 C ATOM 1081 CD ARG A 72 10.299 -5.053 11.525 1.00 0.00 C ATOM 1082 NE ARG A 72 9.422 -5.217 10.358 1.00 0.00 N ATOM 1083 CZ ARG A 72 8.332 -4.486 10.083 1.00 0.00 C ATOM 1084 NH1 ARG A 72 7.942 -3.507 10.905 1.00 0.00 N ATOM 1085 NH2 ARG A 72 7.643 -4.743 8.968 1.00 0.00 N ATOM 0 H ARG A 72 10.861 -3.627 9.828 1.00 0.00 H new ATOM 0 HA ARG A 72 13.435 -4.227 8.698 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.683 -5.512 10.725 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.864 -4.024 11.159 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.458 -6.689 10.754 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.009 -6.091 12.307 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.800 -5.439 12.414 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.482 -3.992 11.698 1.00 0.00 H new ATOM 0 HE ARG A 72 9.664 -5.954 9.696 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.475 -3.309 11.752 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.111 -2.957 10.686 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.948 -5.486 8.340 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.812 -4.196 8.745 1.00 0.00 H new ATOM 1099 N SER A 73 11.016 -6.105 7.855 1.00 0.00 N ATOM 1100 CA SER A 73 10.584 -7.255 7.079 1.00 0.00 C ATOM 1101 C SER A 73 9.351 -6.811 6.303 1.00 0.00 C ATOM 1102 O SER A 73 8.742 -5.809 6.671 1.00 0.00 O ATOM 1103 CB SER A 73 10.248 -8.434 8.001 1.00 0.00 C ATOM 1104 OG SER A 73 11.334 -8.762 8.847 1.00 0.00 O ATOM 0 H SER A 73 10.275 -5.417 7.988 1.00 0.00 H new ATOM 0 HA SER A 73 11.371 -7.593 6.405 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.377 -8.185 8.607 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.980 -9.302 7.399 1.00 0.00 H new ATOM 0 HG SER A 73 11.085 -9.516 9.422 1.00 0.00 H new ATOM 1110 N ILE A 74 8.980 -7.543 5.255 1.00 0.00 N ATOM 1111 CA ILE A 74 7.823 -7.248 4.424 1.00 0.00 C ATOM 1112 C ILE A 74 7.061 -8.562 4.255 1.00 0.00 C ATOM 1113 O ILE A 74 7.691 -9.615 4.376 1.00 0.00 O ATOM 1114 CB ILE A 74 8.264 -6.629 3.089 1.00 0.00 C ATOM 1115 CG1 ILE A 74 9.341 -7.458 2.380 1.00 0.00 C ATOM 1116 CG2 ILE A 74 8.746 -5.195 3.344 1.00 0.00 C ATOM 1117 CD1 ILE A 74 9.661 -6.854 1.012 1.00 0.00 C ATOM 0 H ILE A 74 9.489 -8.375 4.956 1.00 0.00 H new ATOM 0 HA ILE A 74 7.168 -6.508 4.882 1.00 0.00 H new ATOM 0 HB ILE A 74 7.407 -6.618 2.416 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.244 -7.492 2.990 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.998 -8.486 2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 74 9.062 -4.745 2.403 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.933 -4.609 3.772 1.00 0.00 H new ATOM 0 HG23 ILE A 74 9.586 -5.212 4.038 1.00 0.00 H new ATOM 0 HD11 ILE A 74 10.427 -7.453 0.520 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.760 -6.843 0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 74 10.024 -5.834 1.140 1.00 0.00 H new ATOM 1129 N PRO A 75 5.744 -8.561 3.991 1.00 0.00 N ATOM 1130 CA PRO A 75 4.868 -7.421 3.739 1.00 0.00 C ATOM 1131 C PRO A 75 4.663 -6.500 4.947 1.00 0.00 C ATOM 1132 O PRO A 75 4.979 -6.841 6.086 1.00 0.00 O ATOM 1133 CB PRO A 75 3.530 -8.037 3.311 1.00 0.00 C ATOM 1134 CG PRO A 75 3.517 -9.384 4.033 1.00 0.00 C ATOM 1135 CD PRO A 75 4.986 -9.796 3.996 1.00 0.00 C ATOM 0 HA PRO A 75 5.318 -6.776 2.984 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.687 -7.413 3.608 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.471 -8.160 2.230 1.00 0.00 H new ATOM 0 HG2 PRO A 75 3.147 -9.293 5.054 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.880 -10.109 3.527 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.242 -10.408 4.861 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.203 -10.391 3.109 1.00 0.00 H new ATOM 1143 N THR A 76 4.198 -5.288 4.654 1.00 0.00 N ATOM 1144 CA THR A 76 3.802 -4.238 5.579 1.00 0.00 C ATOM 1145 C THR A 76 2.928 -3.332 4.715 1.00 0.00 C ATOM 1146 O THR A 76 3.374 -2.895 3.654 1.00 0.00 O ATOM 1147 CB THR A 76 5.023 -3.536 6.196 1.00 0.00 C ATOM 1148 OG1 THR A 76 5.621 -4.382 7.158 1.00 0.00 O ATOM 1149 CG2 THR A 76 4.630 -2.249 6.920 1.00 0.00 C ATOM 0 H THR A 76 4.080 -4.995 3.684 1.00 0.00 H new ATOM 0 HA THR A 76 3.262 -4.597 6.455 1.00 0.00 H new ATOM 0 HB THR A 76 5.705 -3.305 5.378 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.445 -5.318 6.926 1.00 0.00 H new ATOM 0 HG21 THR A 76 5.520 -1.783 7.342 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.161 -1.563 6.214 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.928 -2.482 7.721 1.00 0.00 H new ATOM 1157 N ILE A 77 1.676 -3.120 5.115 1.00 0.00 N ATOM 1158 CA ILE A 77 0.682 -2.409 4.329 1.00 0.00 C ATOM 1159 C ILE A 77 0.361 -1.087 5.028 1.00 0.00 C ATOM 1160 O ILE A 77 -0.418 -1.077 5.976 1.00 0.00 O ATOM 1161 CB ILE A 77 -0.544 -3.330 4.176 1.00 0.00 C ATOM 1162 CG1 ILE A 77 -0.138 -4.601 3.404 1.00 0.00 C ATOM 1163 CG2 ILE A 77 -1.662 -2.591 3.439 1.00 0.00 C ATOM 1164 CD1 ILE A 77 -1.286 -5.595 3.212 1.00 0.00 C ATOM 0 H ILE A 77 1.321 -3.446 6.014 1.00 0.00 H new ATOM 0 HA ILE A 77 1.039 -2.161 3.329 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.910 -3.616 5.162 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.250 -4.314 2.427 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.674 -5.096 3.937 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.525 -3.248 3.335 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.947 -1.705 4.005 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.311 -2.293 2.451 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.926 -6.464 2.661 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.660 -5.912 4.186 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.091 -5.118 2.652 1.00 0.00 H new ATOM 1176 N MET A 78 0.950 0.028 4.588 1.00 0.00 N ATOM 1177 CA MET A 78 0.717 1.328 5.215 1.00 0.00 C ATOM 1178 C MET A 78 -0.352 2.095 4.447 1.00 0.00 C ATOM 1179 O MET A 78 -0.353 2.080 3.217 1.00 0.00 O ATOM 1180 CB MET A 78 2.013 2.136 5.281 1.00 0.00 C ATOM 1181 CG MET A 78 2.986 1.537 6.298 1.00 0.00 C ATOM 1182 SD MET A 78 4.460 2.534 6.627 1.00 0.00 S ATOM 1183 CE MET A 78 5.161 1.559 7.975 1.00 0.00 C ATOM 0 H MET A 78 1.594 0.054 3.797 1.00 0.00 H new ATOM 0 HA MET A 78 0.367 1.164 6.234 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.480 2.160 4.297 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.788 3.168 5.552 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.455 1.380 7.237 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.301 0.556 5.942 1.00 0.00 H new ATOM 0 HE1 MET A 78 6.130 1.971 8.256 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.490 1.590 8.834 1.00 0.00 H new ATOM 0 HE3 MET A 78 5.286 0.526 7.650 1.00 0.00 H new ATOM 1193 N VAL A 79 -1.252 2.765 5.173 1.00 0.00 N ATOM 1194 CA VAL A 79 -2.328 3.557 4.594 1.00 0.00 C ATOM 1195 C VAL A 79 -2.083 5.018 4.942 1.00 0.00 C ATOM 1196 O VAL A 79 -1.843 5.325 6.109 1.00 0.00 O ATOM 1197 CB VAL A 79 -3.690 3.073 5.114 1.00 0.00 C ATOM 1198 CG1 VAL A 79 -4.831 3.810 4.398 1.00 0.00 C ATOM 1199 CG2 VAL A 79 -3.860 1.561 4.919 1.00 0.00 C ATOM 0 H VAL A 79 -1.249 2.769 6.193 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.343 3.443 3.510 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.727 3.291 6.181 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.789 3.455 4.778 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.743 4.881 4.580 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.772 3.618 3.327 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.834 1.253 5.298 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.791 1.321 3.858 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.076 1.034 5.462 1.00 0.00 H new ATOM 1209 N PHE A 80 -2.159 5.896 3.937 1.00 0.00 N ATOM 1210 CA PHE A 80 -1.920 7.326 4.039 1.00 0.00 C ATOM 1211 C PHE A 80 -3.064 8.121 3.420 1.00 0.00 C ATOM 1212 O PHE A 80 -3.907 7.569 2.714 1.00 0.00 O ATOM 1213 CB PHE A 80 -0.632 7.688 3.283 1.00 0.00 C ATOM 1214 CG PHE A 80 0.631 7.001 3.760 1.00 0.00 C ATOM 1215 CD1 PHE A 80 0.944 5.712 3.293 1.00 0.00 C ATOM 1216 CD2 PHE A 80 1.565 7.708 4.540 1.00 0.00 C ATOM 1217 CE1 PHE A 80 2.182 5.130 3.610 1.00 0.00 C ATOM 1218 CE2 PHE A 80 2.798 7.117 4.868 1.00 0.00 C ATOM 1219 CZ PHE A 80 3.092 5.814 4.435 1.00 0.00 C ATOM 0 H PHE A 80 -2.401 5.608 2.989 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.836 7.574 5.097 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.774 7.452 2.228 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.484 8.766 3.352 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.231 5.169 2.690 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.335 8.705 4.887 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.435 4.156 3.219 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.520 7.666 5.454 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.014 5.339 4.735 1.00 0.00 H new ATOM 1229 N LYS A 81 -3.064 9.426 3.691 1.00 0.00 N ATOM 1230 CA LYS A 81 -3.957 10.431 3.134 1.00 0.00 C ATOM 1231 C LYS A 81 -3.389 11.785 3.567 1.00 0.00 C ATOM 1232 O LYS A 81 -2.729 11.857 4.602 1.00 0.00 O ATOM 1233 CB LYS A 81 -5.409 10.266 3.630 1.00 0.00 C ATOM 1234 CG LYS A 81 -5.721 10.743 5.059 1.00 0.00 C ATOM 1235 CD LYS A 81 -4.869 10.016 6.103 1.00 0.00 C ATOM 1236 CE LYS A 81 -5.400 10.164 7.533 1.00 0.00 C ATOM 1237 NZ LYS A 81 -6.723 9.539 7.715 1.00 0.00 N ATOM 0 H LYS A 81 -2.396 9.831 4.347 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.005 10.335 2.049 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.064 10.803 2.944 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.672 9.210 3.561 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.544 11.816 5.130 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.777 10.579 5.274 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.822 8.957 5.849 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -3.850 10.400 6.060 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.691 9.714 8.228 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.465 11.223 7.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.923 9.440 8.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.452 10.136 7.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.728 8.600 7.268 1.00 0.00 H new ATOM 1251 N GLY A 82 -3.601 12.856 2.805 1.00 0.00 N ATOM 1252 CA GLY A 82 -3.262 14.200 3.254 1.00 0.00 C ATOM 1253 C GLY A 82 -1.869 14.378 3.871 1.00 0.00 C ATOM 1254 O GLY A 82 -1.733 15.059 4.886 1.00 0.00 O ATOM 0 H GLY A 82 -4.008 12.816 1.870 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.349 14.877 2.404 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.004 14.513 3.988 1.00 0.00 H new ATOM 1258 N GLY A 83 -0.831 13.774 3.289 1.00 0.00 N ATOM 1259 CA GLY A 83 0.533 13.913 3.779 1.00 0.00 C ATOM 1260 C GLY A 83 0.813 13.197 5.102 1.00 0.00 C ATOM 1261 O GLY A 83 1.881 13.416 5.671 1.00 0.00 O ATOM 0 H GLY A 83 -0.917 13.177 2.467 1.00 0.00 H new ATOM 0 HA2 GLY A 83 1.217 13.530 3.022 1.00 0.00 H new ATOM 0 HA3 GLY A 83 0.754 14.973 3.901 1.00 0.00 H new ATOM 1265 N LYS A 84 -0.097 12.348 5.600 1.00 0.00 N ATOM 1266 CA LYS A 84 0.080 11.625 6.856 1.00 0.00 C ATOM 1267 C LYS A 84 -0.474 10.205 6.749 1.00 0.00 C ATOM 1268 O LYS A 84 -1.106 9.842 5.758 1.00 0.00 O ATOM 1269 CB LYS A 84 -0.612 12.386 8.003 1.00 0.00 C ATOM 1270 CG LYS A 84 0.006 13.758 8.305 1.00 0.00 C ATOM 1271 CD LYS A 84 1.437 13.645 8.861 1.00 0.00 C ATOM 1272 CE LYS A 84 2.049 15.029 9.107 1.00 0.00 C ATOM 1273 NZ LYS A 84 2.214 15.777 7.847 1.00 0.00 N ATOM 0 H LYS A 84 -0.982 12.146 5.135 1.00 0.00 H new ATOM 0 HA LYS A 84 1.147 11.557 7.068 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.664 12.520 7.753 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.574 11.775 8.905 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.019 14.357 7.394 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.620 14.286 9.024 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.424 13.080 9.793 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.059 13.089 8.160 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.412 15.595 9.787 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.017 14.919 9.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.155 16.220 7.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.121 15.126 7.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.483 16.514 7.783 1.00 0.00 H new ATOM 1287 N LYS A 85 -0.191 9.398 7.775 1.00 0.00 N ATOM 1288 CA LYS A 85 -0.624 8.014 7.877 1.00 0.00 C ATOM 1289 C LYS A 85 -2.011 7.913 8.505 1.00 0.00 C ATOM 1290 O LYS A 85 -2.490 8.843 9.151 1.00 0.00 O ATOM 1291 CB LYS A 85 0.378 7.215 8.717 1.00 0.00 C ATOM 1292 CG LYS A 85 1.633 6.939 7.889 1.00 0.00 C ATOM 1293 CD LYS A 85 2.694 6.151 8.659 1.00 0.00 C ATOM 1294 CE LYS A 85 2.199 4.764 9.073 1.00 0.00 C ATOM 1295 NZ LYS A 85 3.278 3.966 9.675 1.00 0.00 N ATOM 0 H LYS A 85 0.361 9.704 8.576 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.672 7.601 6.869 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.639 7.771 9.617 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.070 6.276 9.041 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.356 6.385 6.992 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.060 7.886 7.559 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.586 6.047 8.041 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.986 6.711 9.548 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.380 4.866 9.785 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.802 4.243 8.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.943 2.995 9.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.096 3.948 9.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.559 4.390 10.582 1.00 0.00 H new ATOM 1309 N CYS A 86 -2.629 6.748 8.314 1.00 0.00 N ATOM 1310 CA CYS A 86 -3.934 6.369 8.831 1.00 0.00 C ATOM 1311 C CYS A 86 -3.852 5.005 9.504 1.00 0.00 C ATOM 1312 O CYS A 86 -4.332 4.840 10.623 1.00 0.00 O ATOM 1313 CB CYS A 86 -4.933 6.278 7.682 1.00 0.00 C ATOM 1314 SG CYS A 86 -6.578 5.949 8.362 1.00 0.00 S ATOM 0 H CYS A 86 -2.203 6.004 7.762 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.255 7.120 9.553 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.939 7.208 7.113 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -4.644 5.484 6.993 1.00 0.00 H new ATOM 0 HG CYS A 86 -7.441 5.870 7.393 1.00 0.00 H new ATOM 1320 N GLU A 87 -3.284 4.029 8.789 1.00 0.00 N ATOM 1321 CA GLU A 87 -3.155 2.645 9.234 1.00 0.00 C ATOM 1322 C GLU A 87 -1.785 2.063 8.867 1.00 0.00 C ATOM 1323 O GLU A 87 -1.039 2.629 8.065 1.00 0.00 O ATOM 1324 CB GLU A 87 -4.249 1.775 8.588 1.00 0.00 C ATOM 1325 CG GLU A 87 -5.574 2.507 8.327 1.00 0.00 C ATOM 1326 CD GLU A 87 -6.594 1.609 7.635 1.00 0.00 C ATOM 1327 OE1 GLU A 87 -6.739 0.452 8.084 1.00 0.00 O ATOM 1328 OE2 GLU A 87 -7.193 2.087 6.648 1.00 0.00 O ATOM 0 H GLU A 87 -2.892 4.188 7.861 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.262 2.641 10.319 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.873 1.383 7.643 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.443 0.919 9.234 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.985 2.862 9.272 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.387 3.386 7.711 1.00 0.00 H new ATOM 1335 N THR A 88 -1.465 0.906 9.449 1.00 0.00 N ATOM 1336 CA THR A 88 -0.268 0.114 9.192 1.00 0.00 C ATOM 1337 C THR A 88 -0.645 -1.336 9.483 1.00 0.00 C ATOM 1338 O THR A 88 -0.568 -1.792 10.621 1.00 0.00 O ATOM 1339 CB THR A 88 0.915 0.615 10.032 1.00 0.00 C ATOM 1340 OG1 THR A 88 1.268 1.913 9.597 1.00 0.00 O ATOM 1341 CG2 THR A 88 2.155 -0.275 9.881 1.00 0.00 C ATOM 0 H THR A 88 -2.069 0.476 10.150 1.00 0.00 H new ATOM 0 HA THR A 88 0.068 0.205 8.159 1.00 0.00 H new ATOM 0 HB THR A 88 0.600 0.602 11.076 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.617 2.224 8.934 1.00 0.00 H new ATOM 0 HG21 THR A 88 2.964 0.121 10.495 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.917 -1.288 10.204 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.466 -0.291 8.836 1.00 0.00 H new ATOM 1349 N ILE A 89 -1.143 -2.009 8.452 1.00 0.00 N ATOM 1350 CA ILE A 89 -1.577 -3.392 8.452 1.00 0.00 C ATOM 1351 C ILE A 89 -0.395 -4.224 7.925 1.00 0.00 C ATOM 1352 O ILE A 89 0.687 -3.688 7.682 1.00 0.00 O ATOM 1353 CB ILE A 89 -2.863 -3.535 7.594 1.00 0.00 C ATOM 1354 CG1 ILE A 89 -3.655 -2.210 7.480 1.00 0.00 C ATOM 1355 CG2 ILE A 89 -3.771 -4.608 8.215 1.00 0.00 C ATOM 1356 CD1 ILE A 89 -4.878 -2.305 6.568 1.00 0.00 C ATOM 0 H ILE A 89 -1.260 -1.571 7.538 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.843 -3.749 9.447 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.551 -3.819 6.589 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.977 -1.902 8.475 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.992 -1.431 7.104 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.675 -4.711 7.615 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -3.242 -5.561 8.242 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.040 -4.314 9.229 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.384 -1.340 6.536 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.561 -2.582 5.563 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.562 -3.061 6.954 1.00 0.00 H new ATOM 1368 N ILE A 90 -0.573 -5.532 7.738 1.00 0.00 N ATOM 1369 CA ILE A 90 0.449 -6.450 7.257 1.00 0.00 C ATOM 1370 C ILE A 90 -0.250 -7.398 6.282 1.00 0.00 C ATOM 1371 O ILE A 90 -1.473 -7.525 6.336 1.00 0.00 O ATOM 1372 CB ILE A 90 1.092 -7.190 8.457 1.00 0.00 C ATOM 1373 CG1 ILE A 90 1.767 -6.171 9.401 1.00 0.00 C ATOM 1374 CG2 ILE A 90 2.127 -8.227 7.991 1.00 0.00 C ATOM 1375 CD1 ILE A 90 2.469 -6.800 10.609 1.00 0.00 C ATOM 0 H ILE A 90 -1.464 -5.993 7.925 1.00 0.00 H new ATOM 0 HA ILE A 90 1.264 -5.939 6.745 1.00 0.00 H new ATOM 0 HB ILE A 90 0.300 -7.717 8.988 1.00 0.00 H new ATOM 0 HG12 ILE A 90 2.496 -5.594 8.832 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.013 -5.469 9.758 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.558 -8.727 8.859 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.641 -8.964 7.352 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.917 -7.726 7.431 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.916 -6.015 11.219 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.743 -7.353 11.204 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.248 -7.479 10.264 1.00 0.00 H new ATOM 1387 N GLY A 91 0.512 -8.003 5.364 1.00 0.00 N ATOM 1388 CA GLY A 91 0.000 -9.004 4.440 1.00 0.00 C ATOM 1389 C GLY A 91 -0.218 -10.320 5.190 1.00 0.00 C ATOM 1390 O GLY A 91 -0.499 -10.308 6.387 1.00 0.00 O ATOM 0 H GLY A 91 1.506 -7.806 5.246 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -0.937 -8.664 4.000 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.703 -9.152 3.620 1.00 0.00 H new ATOM 1394 N ALA A 92 -0.089 -11.464 4.508 1.00 0.00 N ATOM 1395 CA ALA A 92 -0.297 -12.809 5.055 1.00 0.00 C ATOM 1396 C ALA A 92 -1.779 -13.096 5.340 1.00 0.00 C ATOM 1397 O ALA A 92 -2.272 -14.167 4.993 1.00 0.00 O ATOM 1398 CB ALA A 92 0.575 -13.059 6.293 1.00 0.00 C ATOM 0 H ALA A 92 0.173 -11.478 3.522 1.00 0.00 H new ATOM 0 HA ALA A 92 0.019 -13.514 4.286 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.393 -14.066 6.669 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.626 -12.957 6.024 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.326 -12.332 7.066 1.00 0.00 H new ATOM 1404 N VAL A 93 -2.501 -12.145 5.931 1.00 0.00 N ATOM 1405 CA VAL A 93 -3.927 -12.276 6.194 1.00 0.00 C ATOM 1406 C VAL A 93 -4.661 -12.022 4.870 1.00 0.00 C ATOM 1407 O VAL A 93 -4.131 -11.314 4.011 1.00 0.00 O ATOM 1408 CB VAL A 93 -4.380 -11.280 7.279 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -3.670 -11.569 8.608 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -4.161 -9.812 6.890 1.00 0.00 C ATOM 0 H VAL A 93 -2.107 -11.257 6.242 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.156 -13.273 6.569 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.455 -11.426 7.388 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.003 -10.855 9.361 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.909 -12.581 8.936 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.592 -11.477 8.472 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.502 -9.166 7.699 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.100 -9.638 6.709 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.725 -9.587 5.985 1.00 0.00 H new ATOM 1420 N PRO A 94 -5.854 -12.603 4.662 1.00 0.00 N ATOM 1421 CA PRO A 94 -6.587 -12.413 3.425 1.00 0.00 C ATOM 1422 C PRO A 94 -6.841 -10.938 3.115 1.00 0.00 C ATOM 1423 O PRO A 94 -7.030 -10.110 4.007 1.00 0.00 O ATOM 1424 CB PRO A 94 -7.913 -13.155 3.592 1.00 0.00 C ATOM 1425 CG PRO A 94 -7.604 -14.212 4.651 1.00 0.00 C ATOM 1426 CD PRO A 94 -6.543 -13.546 5.529 1.00 0.00 C ATOM 0 HA PRO A 94 -6.005 -12.797 2.588 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.709 -12.485 3.915 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -8.239 -13.609 2.656 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.492 -14.475 5.226 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.232 -15.132 4.201 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.000 -13.037 6.378 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.851 -14.284 5.935 1.00 0.00 H new ATOM 1434 N LYS A 95 -6.900 -10.627 1.823 1.00 0.00 N ATOM 1435 CA LYS A 95 -7.181 -9.285 1.351 1.00 0.00 C ATOM 1436 C LYS A 95 -8.537 -8.824 1.868 1.00 0.00 C ATOM 1437 O LYS A 95 -8.692 -7.661 2.213 1.00 0.00 O ATOM 1438 CB LYS A 95 -7.131 -9.253 -0.173 1.00 0.00 C ATOM 1439 CG LYS A 95 -5.698 -9.326 -0.719 1.00 0.00 C ATOM 1440 CD LYS A 95 -4.742 -8.223 -0.230 1.00 0.00 C ATOM 1441 CE LYS A 95 -5.240 -6.803 -0.527 1.00 0.00 C ATOM 1442 NZ LYS A 95 -4.381 -5.795 0.118 1.00 0.00 N ATOM 0 H LYS A 95 -6.753 -11.305 1.075 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.424 -8.599 1.732 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.710 -10.087 -0.569 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -7.605 -8.339 -0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.275 -10.294 -0.450 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.741 -9.288 -1.808 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.596 -8.331 0.845 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.768 -8.363 -0.699 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.255 -6.637 -1.604 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.265 -6.692 -0.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.974 -5.056 0.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.807 -6.249 0.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -3.754 -5.367 -0.593 1.00 0.00 H new ATOM 1456 N ALA A 96 -9.508 -9.735 1.935 1.00 0.00 N ATOM 1457 CA ALA A 96 -10.819 -9.449 2.505 1.00 0.00 C ATOM 1458 C ALA A 96 -10.662 -8.772 3.875 1.00 0.00 C ATOM 1459 O ALA A 96 -11.244 -7.717 4.117 1.00 0.00 O ATOM 1460 CB ALA A 96 -11.617 -10.750 2.627 1.00 0.00 C ATOM 0 H ALA A 96 -9.405 -10.691 1.595 1.00 0.00 H new ATOM 0 HA ALA A 96 -11.361 -8.766 1.850 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.597 -10.537 3.053 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -11.740 -11.196 1.640 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.083 -11.445 3.275 1.00 0.00 H new ATOM 1466 N THR A 97 -9.850 -9.360 4.758 1.00 0.00 N ATOM 1467 CA THR A 97 -9.568 -8.848 6.089 1.00 0.00 C ATOM 1468 C THR A 97 -9.011 -7.424 5.998 1.00 0.00 C ATOM 1469 O THR A 97 -9.466 -6.514 6.694 1.00 0.00 O ATOM 1470 CB THR A 97 -8.575 -9.820 6.751 1.00 0.00 C ATOM 1471 OG1 THR A 97 -8.993 -11.141 6.458 1.00 0.00 O ATOM 1472 CG2 THR A 97 -8.500 -9.651 8.268 1.00 0.00 C ATOM 0 H THR A 97 -9.359 -10.231 4.554 1.00 0.00 H new ATOM 0 HA THR A 97 -10.473 -8.788 6.694 1.00 0.00 H new ATOM 0 HB THR A 97 -7.582 -9.608 6.355 1.00 0.00 H new ATOM 0 HG1 THR A 97 -8.592 -11.761 7.102 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.784 -10.363 8.678 1.00 0.00 H new ATOM 0 HG22 THR A 97 -8.180 -8.637 8.506 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.483 -9.833 8.703 1.00 0.00 H new ATOM 1480 N ILE A 98 -8.023 -7.227 5.122 1.00 0.00 N ATOM 1481 CA ILE A 98 -7.402 -5.926 4.913 1.00 0.00 C ATOM 1482 C ILE A 98 -8.465 -4.915 4.460 1.00 0.00 C ATOM 1483 O ILE A 98 -8.612 -3.865 5.080 1.00 0.00 O ATOM 1484 CB ILE A 98 -6.227 -6.086 3.929 1.00 0.00 C ATOM 1485 CG1 ILE A 98 -5.056 -6.753 4.675 1.00 0.00 C ATOM 1486 CG2 ILE A 98 -5.777 -4.730 3.366 1.00 0.00 C ATOM 1487 CD1 ILE A 98 -4.157 -7.566 3.742 1.00 0.00 C ATOM 0 H ILE A 98 -7.634 -7.968 4.539 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.985 -5.529 5.839 1.00 0.00 H new ATOM 0 HB ILE A 98 -6.550 -6.701 3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.461 -5.986 5.171 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -5.450 -7.405 5.455 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.947 -4.880 2.676 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -6.608 -4.261 2.838 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.457 -4.085 4.184 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.347 -8.015 4.317 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -4.743 -8.352 3.265 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -3.739 -6.911 2.978 1.00 0.00 H new ATOM 1499 N VAL A 99 -9.230 -5.224 3.412 1.00 0.00 N ATOM 1500 CA VAL A 99 -10.286 -4.354 2.912 1.00 0.00 C ATOM 1501 C VAL A 99 -11.224 -4.001 4.066 1.00 0.00 C ATOM 1502 O VAL A 99 -11.429 -2.823 4.332 1.00 0.00 O ATOM 1503 CB VAL A 99 -11.026 -5.025 1.741 1.00 0.00 C ATOM 1504 CG1 VAL A 99 -12.282 -4.238 1.340 1.00 0.00 C ATOM 1505 CG2 VAL A 99 -10.108 -5.107 0.514 1.00 0.00 C ATOM 0 H VAL A 99 -9.131 -6.092 2.885 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.860 -3.429 2.523 1.00 0.00 H new ATOM 0 HB VAL A 99 -11.316 -6.021 2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -12.778 -4.742 0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -12.963 -4.182 2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -11.998 -3.231 1.035 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -10.642 -5.583 -0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -9.806 -4.102 0.217 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.223 -5.694 0.760 1.00 0.00 H new ATOM 1515 N GLN A 100 -11.755 -4.999 4.780 1.00 0.00 N ATOM 1516 CA GLN A 100 -12.636 -4.765 5.919 1.00 0.00 C ATOM 1517 C GLN A 100 -12.000 -3.797 6.919 1.00 0.00 C ATOM 1518 O GLN A 100 -12.679 -2.914 7.439 1.00 0.00 O ATOM 1519 CB GLN A 100 -12.966 -6.096 6.607 1.00 0.00 C ATOM 1520 CG GLN A 100 -13.972 -6.936 5.809 1.00 0.00 C ATOM 1521 CD GLN A 100 -15.339 -6.278 5.622 1.00 0.00 C ATOM 1522 OE1 GLN A 100 -16.026 -6.543 4.642 1.00 0.00 O ATOM 1523 NE2 GLN A 100 -15.759 -5.412 6.541 1.00 0.00 N ATOM 0 H GLN A 100 -11.585 -5.985 4.583 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.557 -4.312 5.551 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -12.048 -6.668 6.744 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -13.370 -5.898 7.600 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -13.549 -7.151 4.828 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -14.109 -7.892 6.314 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -15.174 -5.203 7.350 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -16.666 -4.957 6.436 1.00 0.00 H new ATOM 1532 N THR A 101 -10.705 -3.959 7.191 1.00 0.00 N ATOM 1533 CA THR A 101 -9.993 -3.054 8.087 1.00 0.00 C ATOM 1534 C THR A 101 -10.056 -1.625 7.529 1.00 0.00 C ATOM 1535 O THR A 101 -10.385 -0.691 8.258 1.00 0.00 O ATOM 1536 CB THR A 101 -8.541 -3.527 8.283 1.00 0.00 C ATOM 1537 OG1 THR A 101 -8.526 -4.872 8.721 1.00 0.00 O ATOM 1538 CG2 THR A 101 -7.810 -2.686 9.332 1.00 0.00 C ATOM 0 H THR A 101 -10.131 -4.708 6.804 1.00 0.00 H new ATOM 0 HA THR A 101 -10.470 -3.058 9.067 1.00 0.00 H new ATOM 0 HB THR A 101 -8.037 -3.423 7.322 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.799 -5.459 7.985 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.788 -3.050 9.443 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.792 -1.644 9.014 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.329 -2.765 10.287 1.00 0.00 H new ATOM 1546 N VAL A 102 -9.765 -1.447 6.235 1.00 0.00 N ATOM 1547 CA VAL A 102 -9.767 -0.125 5.616 1.00 0.00 C ATOM 1548 C VAL A 102 -11.170 0.483 5.563 1.00 0.00 C ATOM 1549 O VAL A 102 -11.310 1.687 5.747 1.00 0.00 O ATOM 1550 CB VAL A 102 -9.170 -0.176 4.200 1.00 0.00 C ATOM 1551 CG1 VAL A 102 -9.087 1.234 3.597 1.00 0.00 C ATOM 1552 CG2 VAL A 102 -7.745 -0.724 4.190 1.00 0.00 C ATOM 0 H VAL A 102 -9.525 -2.207 5.598 1.00 0.00 H new ATOM 0 HA VAL A 102 -9.145 0.514 6.243 1.00 0.00 H new ATOM 0 HB VAL A 102 -9.829 -0.828 3.626 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -8.662 1.177 2.595 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.086 1.666 3.543 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -8.454 1.861 4.224 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.368 -0.740 3.167 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -7.106 -0.087 4.802 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -7.742 -1.737 4.593 1.00 0.00 H new ATOM 1562 N GLU A 103 -12.202 -0.321 5.294 1.00 0.00 N ATOM 1563 CA GLU A 103 -13.584 0.124 5.139 1.00 0.00 C ATOM 1564 C GLU A 103 -14.007 1.101 6.240 1.00 0.00 C ATOM 1565 O GLU A 103 -14.629 2.119 5.951 1.00 0.00 O ATOM 1566 CB GLU A 103 -14.500 -1.100 5.082 1.00 0.00 C ATOM 1567 CG GLU A 103 -14.403 -1.784 3.708 1.00 0.00 C ATOM 1568 CD GLU A 103 -15.248 -1.086 2.643 1.00 0.00 C ATOM 1569 OE1 GLU A 103 -16.449 -0.872 2.912 1.00 0.00 O ATOM 1570 OE2 GLU A 103 -14.683 -0.795 1.566 1.00 0.00 O ATOM 0 H GLU A 103 -12.093 -1.328 5.175 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.669 0.678 4.204 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -14.223 -1.805 5.866 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -15.530 -0.799 5.273 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -13.361 -1.800 3.387 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -14.725 -2.821 3.799 1.00 0.00 H new ATOM 1577 N LYS A 104 -13.624 0.809 7.485 1.00 0.00 N ATOM 1578 CA LYS A 104 -13.860 1.657 8.652 1.00 0.00 C ATOM 1579 C LYS A 104 -13.518 3.129 8.365 1.00 0.00 C ATOM 1580 O LYS A 104 -14.184 4.044 8.843 1.00 0.00 O ATOM 1581 CB LYS A 104 -12.968 1.124 9.781 1.00 0.00 C ATOM 1582 CG LYS A 104 -13.071 1.914 11.092 1.00 0.00 C ATOM 1583 CD LYS A 104 -11.907 1.492 11.993 1.00 0.00 C ATOM 1584 CE LYS A 104 -11.962 2.163 13.370 1.00 0.00 C ATOM 1585 NZ LYS A 104 -11.816 3.626 13.272 1.00 0.00 N ATOM 0 H LYS A 104 -13.126 -0.051 7.714 1.00 0.00 H new ATOM 0 HA LYS A 104 -14.915 1.625 8.924 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -13.230 0.084 9.975 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.931 1.134 9.445 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -13.031 2.985 10.895 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -14.024 1.715 11.583 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.922 0.409 12.118 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -10.965 1.744 11.506 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -12.909 1.924 13.853 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.171 1.760 14.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -11.773 4.035 14.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -10.941 3.854 12.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -12.631 4.023 12.762 1.00 0.00 H new ATOM 1599 N TYR A 105 -12.436 3.344 7.619 1.00 0.00 N ATOM 1600 CA TYR A 105 -11.882 4.630 7.234 1.00 0.00 C ATOM 1601 C TYR A 105 -12.310 4.995 5.812 1.00 0.00 C ATOM 1602 O TYR A 105 -11.568 5.674 5.102 1.00 0.00 O ATOM 1603 CB TYR A 105 -10.358 4.480 7.279 1.00 0.00 C ATOM 1604 CG TYR A 105 -9.817 3.994 8.601 1.00 0.00 C ATOM 1605 CD1 TYR A 105 -9.612 4.908 9.645 1.00 0.00 C ATOM 1606 CD2 TYR A 105 -9.500 2.636 8.780 1.00 0.00 C ATOM 1607 CE1 TYR A 105 -8.970 4.494 10.824 1.00 0.00 C ATOM 1608 CE2 TYR A 105 -8.860 2.220 9.959 1.00 0.00 C ATOM 1609 CZ TYR A 105 -8.564 3.155 10.965 1.00 0.00 C ATOM 1610 OH TYR A 105 -7.940 2.743 12.104 1.00 0.00 O ATOM 0 H TYR A 105 -11.890 2.568 7.245 1.00 0.00 H new ATOM 0 HA TYR A 105 -12.233 5.415 7.904 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.050 3.785 6.497 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.904 5.443 7.047 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -9.948 5.929 9.543 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.748 1.916 8.014 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -8.789 5.202 11.619 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -8.595 1.181 10.092 1.00 0.00 H new ATOM 0 HH TYR A 105 -7.729 1.788 12.035 1.00 0.00 H new