USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 560 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 59 ASN : amide:sc= 0.176 K(o=0.58,f=-1.1) USER MOD Set 1.2: A 62 LYS NZ :NH3+ 169:sc= 0.399 (180deg=-0.138) USER MOD Set 2.1: A 49 TYR OH : rot 180:sc= 0.565 USER MOD Set 2.2: A 54 LYS NZ :NH3+ -156:sc= 0.811 (180deg=0.259) USER MOD Set 3.1: A 41 MET CE :methyl -135:sc= -1.9 (180deg=-4.88!) USER MOD Set 3.2: A 76 MET CE :methyl 177:sc= -0.48 (180deg=0) USER MOD Set 4.1: A 19 SER OG : rot 62:sc= 1.88 USER MOD Set 4.2: A 30 LYS NZ :NH3+ 151:sc= 0.661 (180deg=-1.72!) USER MOD Set 5.1: A 13 CYS SG : rot 180:sc= 0 USER MOD Set 5.2: A 23 MET CE :methyl -121:sc= -0.0435 (180deg=-0.296) USER MOD Single : A 7 TYR OH : rot -125:sc= 1.23 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 85:sc= 0.884 USER MOD Single : A 10 CYS SG : rot 180:sc= -0.77 USER MOD Single : A 14 HIS : no HD1:sc= -2.28! K(o=-2.3!,f=-1.6) USER MOD Single : A 20 LYS NZ :NH3+ -179:sc= 0.667 (180deg=0.666) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0123 USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0137) USER MOD Single : A 32 GLN : amide:sc= -0.324 K(o=-0.32,f=-4.8!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0257) USER MOD Single : A 40 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0385) USER MOD Single : A 42 LYS NZ :NH3+ -169:sc=-0.00431 (180deg=-0.148) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 84:sc= 1.21 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 140:sc= -0.955 (180deg=-2.58!) USER MOD Single : A 58 THR OG1 : rot -65:sc= 1.06 USER MOD Single : A 63 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0159) USER MOD Single : A 65 SER OG : rot 180:sc= -0.159 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -40:sc= 0.645 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 25 N GLY A 3 1.244 -10.044 -4.052 1.00 0.00 N ATOM 26 CA GLY A 3 2.208 -9.126 -3.445 1.00 0.00 C ATOM 27 C GLY A 3 3.263 -8.586 -4.408 1.00 0.00 C ATOM 28 O GLY A 3 3.302 -7.402 -4.740 1.00 0.00 O ATOM 0 HA2 GLY A 3 1.666 -8.285 -3.011 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.711 -9.638 -2.625 1.00 0.00 H new ATOM 32 N ALA A 4 4.134 -9.489 -4.837 1.00 0.00 N ATOM 33 CA ALA A 4 5.296 -9.208 -5.664 1.00 0.00 C ATOM 34 C ALA A 4 4.894 -8.577 -6.992 1.00 0.00 C ATOM 35 O ALA A 4 5.237 -7.428 -7.274 1.00 0.00 O ATOM 36 CB ALA A 4 6.105 -10.493 -5.868 1.00 0.00 C ATOM 0 H ALA A 4 4.045 -10.479 -4.608 1.00 0.00 H new ATOM 0 HA ALA A 4 5.926 -8.481 -5.152 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.976 -10.280 -6.488 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.433 -10.874 -4.901 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.483 -11.240 -6.360 1.00 0.00 H new ATOM 42 N ALA A 5 4.106 -9.295 -7.795 1.00 0.00 N ATOM 43 CA ALA A 5 3.673 -8.830 -9.106 1.00 0.00 C ATOM 44 C ALA A 5 2.456 -7.915 -8.966 1.00 0.00 C ATOM 45 O ALA A 5 1.437 -8.107 -9.630 1.00 0.00 O ATOM 46 CB ALA A 5 3.437 -10.029 -10.030 1.00 0.00 C ATOM 0 H ALA A 5 3.751 -10.219 -7.549 1.00 0.00 H new ATOM 0 HA ALA A 5 4.454 -8.228 -9.571 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.113 -9.676 -11.009 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.363 -10.594 -10.136 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.667 -10.671 -9.603 1.00 0.00 H new ATOM 52 N LEU A 6 2.568 -6.954 -8.052 1.00 0.00 N ATOM 53 CA LEU A 6 1.640 -5.882 -7.750 1.00 0.00 C ATOM 54 C LEU A 6 2.502 -4.699 -7.309 1.00 0.00 C ATOM 55 O LEU A 6 2.473 -3.640 -7.939 1.00 0.00 O ATOM 56 CB LEU A 6 0.698 -6.256 -6.617 1.00 0.00 C ATOM 57 CG LEU A 6 -0.270 -7.395 -6.930 1.00 0.00 C ATOM 58 CD1 LEU A 6 -0.860 -7.778 -5.589 1.00 0.00 C ATOM 59 CD2 LEU A 6 -1.424 -6.996 -7.859 1.00 0.00 C ATOM 0 H LEU A 6 3.391 -6.908 -7.451 1.00 0.00 H new ATOM 0 HA LEU A 6 1.024 -5.659 -8.621 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.293 -6.534 -5.747 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.120 -5.374 -6.339 1.00 0.00 H new ATOM 0 HG LEU A 6 0.268 -8.192 -7.443 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.570 -8.594 -5.724 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.062 -8.098 -4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.373 -6.918 -5.158 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.066 -7.859 -8.033 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.005 -6.199 -7.396 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.021 -6.646 -8.810 1.00 0.00 H new ATOM 71 N TYR A 7 3.304 -4.924 -6.253 1.00 0.00 N ATOM 72 CA TYR A 7 4.184 -3.939 -5.639 1.00 0.00 C ATOM 73 C TYR A 7 4.976 -3.137 -6.667 1.00 0.00 C ATOM 74 O TYR A 7 5.120 -1.924 -6.520 1.00 0.00 O ATOM 75 CB TYR A 7 5.116 -4.595 -4.613 1.00 0.00 C ATOM 76 CG TYR A 7 5.967 -3.579 -3.875 1.00 0.00 C ATOM 77 CD1 TYR A 7 5.342 -2.584 -3.100 1.00 0.00 C ATOM 78 CD2 TYR A 7 7.353 -3.505 -4.111 1.00 0.00 C ATOM 79 CE1 TYR A 7 6.091 -1.510 -2.595 1.00 0.00 C ATOM 80 CE2 TYR A 7 8.114 -2.476 -3.529 1.00 0.00 C ATOM 81 CZ TYR A 7 7.480 -1.473 -2.776 1.00 0.00 C ATOM 82 OH TYR A 7 8.194 -0.453 -2.225 1.00 0.00 O ATOM 0 H TYR A 7 3.352 -5.834 -5.794 1.00 0.00 H new ATOM 0 HA TYR A 7 3.543 -3.230 -5.116 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.522 -5.158 -3.894 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.765 -5.309 -5.120 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.284 -2.647 -2.894 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.833 -4.240 -4.740 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.595 -0.710 -2.065 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.186 -2.456 -3.661 1.00 0.00 H new ATOM 0 HH TYR A 7 8.717 -0.006 -2.923 1.00 0.00 H new ATOM 92 N LYS A 8 5.464 -3.812 -7.714 1.00 0.00 N ATOM 93 CA LYS A 8 6.200 -3.197 -8.813 1.00 0.00 C ATOM 94 C LYS A 8 5.560 -1.885 -9.291 1.00 0.00 C ATOM 95 O LYS A 8 6.260 -0.951 -9.668 1.00 0.00 O ATOM 96 CB LYS A 8 6.364 -4.209 -9.957 1.00 0.00 C ATOM 97 CG LYS A 8 5.034 -4.674 -10.570 1.00 0.00 C ATOM 98 CD LYS A 8 5.310 -5.687 -11.687 1.00 0.00 C ATOM 99 CE LYS A 8 4.006 -6.084 -12.385 1.00 0.00 C ATOM 100 NZ LYS A 8 4.255 -7.038 -13.480 1.00 0.00 N ATOM 0 H LYS A 8 5.354 -4.821 -7.819 1.00 0.00 H new ATOM 0 HA LYS A 8 7.189 -2.922 -8.446 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.977 -3.762 -10.740 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.906 -5.079 -9.585 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.406 -5.126 -9.802 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.486 -3.819 -10.967 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.002 -5.258 -12.412 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.792 -6.572 -11.272 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.324 -6.528 -11.660 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.516 -5.194 -12.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.353 -7.288 -13.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.887 -6.603 -14.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.700 -7.897 -13.098 1.00 0.00 H new ATOM 114 N SER A 9 4.228 -1.810 -9.269 1.00 0.00 N ATOM 115 CA SER A 9 3.482 -0.627 -9.663 1.00 0.00 C ATOM 116 C SER A 9 3.612 0.465 -8.593 1.00 0.00 C ATOM 117 O SER A 9 3.876 1.629 -8.888 1.00 0.00 O ATOM 118 CB SER A 9 2.006 -1.011 -9.856 1.00 0.00 C ATOM 119 OG SER A 9 1.881 -2.342 -10.325 1.00 0.00 O ATOM 0 H SER A 9 3.634 -2.584 -8.972 1.00 0.00 H new ATOM 0 HA SER A 9 3.884 -0.236 -10.598 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.473 -0.904 -8.911 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.539 -0.327 -10.565 1.00 0.00 H new ATOM 0 HG SER A 9 1.905 -2.960 -9.565 1.00 0.00 H new ATOM 125 N CYS A 10 3.428 0.062 -7.334 1.00 0.00 N ATOM 126 CA CYS A 10 3.420 0.916 -6.156 1.00 0.00 C ATOM 127 C CYS A 10 4.755 1.636 -6.025 1.00 0.00 C ATOM 128 O CYS A 10 4.801 2.798 -5.611 1.00 0.00 O ATOM 129 CB CYS A 10 3.114 0.087 -4.900 1.00 0.00 C ATOM 130 SG CYS A 10 1.821 -1.186 -5.029 1.00 0.00 S ATOM 0 H CYS A 10 3.273 -0.919 -7.102 1.00 0.00 H new ATOM 0 HA CYS A 10 2.636 1.666 -6.264 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.037 -0.401 -4.586 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.830 0.775 -4.104 1.00 0.00 H new ATOM 0 HG CYS A 10 1.692 -1.791 -3.886 1.00 0.00 H new ATOM 135 N ILE A 11 5.839 0.945 -6.409 1.00 0.00 N ATOM 136 CA ILE A 11 7.184 1.507 -6.440 1.00 0.00 C ATOM 137 C ILE A 11 7.173 2.886 -7.108 1.00 0.00 C ATOM 138 O ILE A 11 7.936 3.755 -6.693 1.00 0.00 O ATOM 139 CB ILE A 11 8.170 0.556 -7.148 1.00 0.00 C ATOM 140 CG1 ILE A 11 8.408 -0.686 -6.272 1.00 0.00 C ATOM 141 CG2 ILE A 11 9.516 1.227 -7.474 1.00 0.00 C ATOM 142 CD1 ILE A 11 9.378 -1.698 -6.890 1.00 0.00 C ATOM 0 H ILE A 11 5.798 -0.029 -6.708 1.00 0.00 H new ATOM 0 HA ILE A 11 7.525 1.627 -5.412 1.00 0.00 H new ATOM 0 HB ILE A 11 7.717 0.271 -8.097 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.796 -0.368 -5.304 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.453 -1.178 -6.087 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.169 0.510 -7.971 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.347 2.080 -8.131 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.986 1.567 -6.551 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.497 -2.547 -6.216 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.982 -2.045 -7.844 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.346 -1.223 -7.050 1.00 0.00 H new ATOM 154 N GLY A 12 6.309 3.098 -8.110 1.00 0.00 N ATOM 155 CA GLY A 12 6.172 4.374 -8.796 1.00 0.00 C ATOM 156 C GLY A 12 6.102 5.561 -7.830 1.00 0.00 C ATOM 157 O GLY A 12 6.646 6.621 -8.130 1.00 0.00 O ATOM 0 H GLY A 12 5.682 2.376 -8.465 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.016 4.511 -9.472 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.271 4.357 -9.410 1.00 0.00 H new ATOM 161 N CYS A 13 5.448 5.386 -6.675 1.00 0.00 N ATOM 162 CA CYS A 13 5.309 6.417 -5.655 1.00 0.00 C ATOM 163 C CYS A 13 6.146 6.083 -4.423 1.00 0.00 C ATOM 164 O CYS A 13 6.708 6.976 -3.798 1.00 0.00 O ATOM 165 CB CYS A 13 3.843 6.501 -5.235 1.00 0.00 C ATOM 166 SG CYS A 13 2.818 7.652 -6.192 1.00 0.00 S ATOM 0 H CYS A 13 4.995 4.507 -6.425 1.00 0.00 H new ATOM 0 HA CYS A 13 5.653 7.364 -6.070 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.405 5.506 -5.308 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.800 6.791 -4.185 1.00 0.00 H new ATOM 0 HG CYS A 13 1.600 7.628 -5.739 1.00 0.00 H new ATOM 171 N HIS A 14 6.204 4.802 -4.055 1.00 0.00 N ATOM 172 CA HIS A 14 6.839 4.330 -2.839 1.00 0.00 C ATOM 173 C HIS A 14 8.356 4.163 -2.924 1.00 0.00 C ATOM 174 O HIS A 14 9.063 4.401 -1.944 1.00 0.00 O ATOM 175 CB HIS A 14 6.127 3.026 -2.477 1.00 0.00 C ATOM 176 CG HIS A 14 4.808 3.306 -1.816 1.00 0.00 C ATOM 177 ND1 HIS A 14 4.749 3.933 -0.587 1.00 0.00 N ATOM 178 CD2 HIS A 14 3.503 3.212 -2.238 1.00 0.00 C ATOM 179 CE1 HIS A 14 3.468 4.246 -0.368 1.00 0.00 C ATOM 180 NE2 HIS A 14 2.639 3.709 -1.261 1.00 0.00 N ATOM 0 H HIS A 14 5.798 4.051 -4.613 1.00 0.00 H new ATOM 0 HA HIS A 14 6.733 5.085 -2.060 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.969 2.430 -3.376 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.755 2.436 -1.810 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.191 2.810 -3.191 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.139 4.870 0.449 1.00 0.00 H new ATOM 0 HE2 HIS A 14 1.620 3.670 -1.237 1.00 0.00 H new ATOM 188 N GLY A 15 8.876 3.787 -4.087 1.00 0.00 N ATOM 189 CA GLY A 15 10.295 3.528 -4.265 1.00 0.00 C ATOM 190 C GLY A 15 10.614 2.083 -3.892 1.00 0.00 C ATOM 191 O GLY A 15 9.761 1.373 -3.364 1.00 0.00 O ATOM 0 H GLY A 15 8.322 3.654 -4.933 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.580 3.716 -5.300 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.878 4.209 -3.645 1.00 0.00 H new ATOM 195 N ALA A 16 11.841 1.638 -4.183 1.00 0.00 N ATOM 196 CA ALA A 16 12.276 0.266 -3.944 1.00 0.00 C ATOM 197 C ALA A 16 11.891 -0.204 -2.540 1.00 0.00 C ATOM 198 O ALA A 16 10.940 -0.966 -2.380 1.00 0.00 O ATOM 199 CB ALA A 16 13.781 0.143 -4.203 1.00 0.00 C ATOM 0 H ALA A 16 12.563 2.229 -4.595 1.00 0.00 H new ATOM 0 HA ALA A 16 11.760 -0.394 -4.642 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.099 -0.884 -4.023 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.995 0.413 -5.237 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.321 0.813 -3.534 1.00 0.00 H new ATOM 205 N ASP A 17 12.568 0.311 -1.511 1.00 0.00 N ATOM 206 CA ASP A 17 12.327 -0.044 -0.112 1.00 0.00 C ATOM 207 C ASP A 17 11.225 0.807 0.514 1.00 0.00 C ATOM 208 O ASP A 17 11.306 1.202 1.673 1.00 0.00 O ATOM 209 CB ASP A 17 13.638 0.075 0.663 1.00 0.00 C ATOM 210 CG ASP A 17 14.127 1.514 0.840 1.00 0.00 C ATOM 211 OD1 ASP A 17 13.862 2.328 -0.075 1.00 0.00 O ATOM 212 OD2 ASP A 17 14.776 1.773 1.876 1.00 0.00 O ATOM 0 H ASP A 17 13.312 0.999 -1.630 1.00 0.00 H new ATOM 0 HA ASP A 17 11.974 -1.074 -0.067 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.510 -0.378 1.646 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.407 -0.498 0.146 1.00 0.00 H new ATOM 217 N GLY A 18 10.220 1.125 -0.293 1.00 0.00 N ATOM 218 CA GLY A 18 9.044 1.904 0.052 1.00 0.00 C ATOM 219 C GLY A 18 9.333 3.159 0.878 1.00 0.00 C ATOM 220 O GLY A 18 8.527 3.513 1.738 1.00 0.00 O ATOM 0 H GLY A 18 10.207 0.825 -1.268 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.537 2.198 -0.867 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.354 1.269 0.608 1.00 0.00 H new ATOM 224 N SER A 19 10.450 3.845 0.608 1.00 0.00 N ATOM 225 CA SER A 19 10.901 4.984 1.401 1.00 0.00 C ATOM 226 C SER A 19 10.887 6.342 0.695 1.00 0.00 C ATOM 227 O SER A 19 11.175 7.333 1.363 1.00 0.00 O ATOM 228 CB SER A 19 12.313 4.697 1.919 1.00 0.00 C ATOM 229 OG SER A 19 12.306 3.546 2.735 1.00 0.00 O ATOM 0 H SER A 19 11.067 3.620 -0.173 1.00 0.00 H new ATOM 0 HA SER A 19 10.172 5.081 2.205 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.994 4.553 1.080 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.681 5.552 2.486 1.00 0.00 H new ATOM 0 HG SER A 19 12.016 2.773 2.207 1.00 0.00 H new ATOM 235 N LYS A 20 10.606 6.439 -0.610 1.00 0.00 N ATOM 236 CA LYS A 20 10.646 7.757 -1.242 1.00 0.00 C ATOM 237 C LYS A 20 9.367 8.540 -0.932 1.00 0.00 C ATOM 238 O LYS A 20 8.335 7.958 -0.602 1.00 0.00 O ATOM 239 CB LYS A 20 10.983 7.672 -2.739 1.00 0.00 C ATOM 240 CG LYS A 20 9.780 7.440 -3.655 1.00 0.00 C ATOM 241 CD LYS A 20 10.246 7.310 -5.110 1.00 0.00 C ATOM 242 CE LYS A 20 9.042 7.061 -6.021 1.00 0.00 C ATOM 243 NZ LYS A 20 9.430 6.987 -7.439 1.00 0.00 N ATOM 0 H LYS A 20 10.360 5.661 -1.222 1.00 0.00 H new ATOM 0 HA LYS A 20 11.468 8.326 -0.808 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.477 8.596 -3.039 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.699 6.864 -2.891 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.251 6.537 -3.352 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.077 8.268 -3.562 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.764 8.218 -5.418 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.958 6.490 -5.201 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.553 6.131 -5.730 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.313 7.860 -5.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.583 6.834 -8.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.889 7.877 -7.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.093 6.197 -7.577 1.00 0.00 H new ATOM 257 N ALA A 21 9.440 9.869 -1.029 1.00 0.00 N ATOM 258 CA ALA A 21 8.295 10.728 -0.780 1.00 0.00 C ATOM 259 C ALA A 21 7.248 10.513 -1.874 1.00 0.00 C ATOM 260 O ALA A 21 7.555 10.665 -3.055 1.00 0.00 O ATOM 261 CB ALA A 21 8.744 12.191 -0.733 1.00 0.00 C ATOM 0 H ALA A 21 10.291 10.371 -1.281 1.00 0.00 H new ATOM 0 HA ALA A 21 7.849 10.476 0.182 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.881 12.831 -0.546 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.473 12.322 0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.198 12.463 -1.686 1.00 0.00 H new ATOM 267 N ALA A 22 6.029 10.143 -1.475 1.00 0.00 N ATOM 268 CA ALA A 22 4.908 9.950 -2.381 1.00 0.00 C ATOM 269 C ALA A 22 4.170 11.287 -2.505 1.00 0.00 C ATOM 270 O ALA A 22 4.797 12.316 -2.757 1.00 0.00 O ATOM 271 CB ALA A 22 4.047 8.791 -1.862 1.00 0.00 C ATOM 0 H ALA A 22 5.795 9.968 -0.498 1.00 0.00 H new ATOM 0 HA ALA A 22 5.219 9.665 -3.386 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.202 8.636 -2.533 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.648 7.882 -1.819 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.678 9.030 -0.864 1.00 0.00 H new ATOM 277 N MET A 23 2.847 11.301 -2.322 1.00 0.00 N ATOM 278 CA MET A 23 2.056 12.528 -2.357 1.00 0.00 C ATOM 279 C MET A 23 2.318 13.358 -1.092 1.00 0.00 C ATOM 280 O MET A 23 1.473 13.448 -0.202 1.00 0.00 O ATOM 281 CB MET A 23 0.568 12.198 -2.542 1.00 0.00 C ATOM 282 CG MET A 23 0.273 11.454 -3.852 1.00 0.00 C ATOM 283 SD MET A 23 0.620 12.338 -5.400 1.00 0.00 S ATOM 284 CE MET A 23 2.298 11.778 -5.787 1.00 0.00 C ATOM 0 H MET A 23 2.297 10.461 -2.146 1.00 0.00 H new ATOM 0 HA MET A 23 2.358 13.133 -3.212 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.230 11.591 -1.702 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.008 13.123 -2.519 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.850 10.529 -3.854 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.780 11.172 -3.852 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.965 12.638 -5.842 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.644 11.100 -5.007 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.296 11.258 -6.745 1.00 0.00 H new ATOM 294 N GLY A 24 3.499 13.973 -1.021 1.00 0.00 N ATOM 295 CA GLY A 24 3.926 14.790 0.101 1.00 0.00 C ATOM 296 C GLY A 24 4.513 13.915 1.208 1.00 0.00 C ATOM 297 O GLY A 24 5.043 12.836 0.942 1.00 0.00 O ATOM 0 H GLY A 24 4.197 13.912 -1.762 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.670 15.514 -0.231 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.080 15.357 0.488 1.00 0.00 H new ATOM 301 N SER A 25 4.411 14.385 2.455 1.00 0.00 N ATOM 302 CA SER A 25 4.932 13.741 3.654 1.00 0.00 C ATOM 303 C SER A 25 4.172 12.457 4.008 1.00 0.00 C ATOM 304 O SER A 25 3.480 12.387 5.022 1.00 0.00 O ATOM 305 CB SER A 25 4.844 14.763 4.790 1.00 0.00 C ATOM 306 OG SER A 25 5.267 16.030 4.318 1.00 0.00 O ATOM 0 H SER A 25 3.940 15.266 2.660 1.00 0.00 H new ATOM 0 HA SER A 25 5.963 13.433 3.484 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.821 14.824 5.160 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.468 14.448 5.627 1.00 0.00 H new ATOM 0 HG SER A 25 5.209 16.686 5.044 1.00 0.00 H new ATOM 312 N ALA A 26 4.262 11.457 3.141 1.00 0.00 N ATOM 313 CA ALA A 26 3.642 10.157 3.325 1.00 0.00 C ATOM 314 C ALA A 26 4.506 9.318 4.261 1.00 0.00 C ATOM 315 O ALA A 26 5.729 9.329 4.127 1.00 0.00 O ATOM 316 CB ALA A 26 3.515 9.472 1.964 1.00 0.00 C ATOM 0 H ALA A 26 4.783 11.533 2.267 1.00 0.00 H new ATOM 0 HA ALA A 26 2.651 10.269 3.764 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.050 8.494 2.091 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.899 10.084 1.305 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.505 9.349 1.525 1.00 0.00 H new ATOM 322 N LYS A 27 3.894 8.601 5.210 1.00 0.00 N ATOM 323 CA LYS A 27 4.640 7.680 6.055 1.00 0.00 C ATOM 324 C LYS A 27 5.346 6.694 5.121 1.00 0.00 C ATOM 325 O LYS A 27 4.667 6.074 4.299 1.00 0.00 O ATOM 326 CB LYS A 27 3.719 6.888 6.999 1.00 0.00 C ATOM 327 CG LYS A 27 3.027 7.770 8.045 1.00 0.00 C ATOM 328 CD LYS A 27 1.947 6.987 8.810 1.00 0.00 C ATOM 329 CE LYS A 27 2.452 5.693 9.464 1.00 0.00 C ATOM 330 NZ LYS A 27 3.592 5.934 10.365 1.00 0.00 N ATOM 0 H LYS A 27 2.894 8.644 5.406 1.00 0.00 H new ATOM 0 HA LYS A 27 5.337 8.245 6.674 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.961 6.372 6.409 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.303 6.121 7.508 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.767 8.154 8.747 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.575 8.633 7.555 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.526 7.631 9.582 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.137 6.742 8.123 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.640 5.230 10.024 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.747 4.987 8.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.846 5.049 10.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.406 6.272 9.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.331 6.651 11.071 1.00 0.00 H new ATOM 344 N PRO A 28 6.676 6.542 5.189 1.00 0.00 N ATOM 345 CA PRO A 28 7.350 5.585 4.338 1.00 0.00 C ATOM 346 C PRO A 28 6.834 4.205 4.726 1.00 0.00 C ATOM 347 O PRO A 28 6.570 3.952 5.897 1.00 0.00 O ATOM 348 CB PRO A 28 8.844 5.774 4.604 1.00 0.00 C ATOM 349 CG PRO A 28 8.879 6.311 6.036 1.00 0.00 C ATOM 350 CD PRO A 28 7.601 7.149 6.130 1.00 0.00 C ATOM 0 HA PRO A 28 7.169 5.712 3.271 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.391 4.836 4.512 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.293 6.475 3.900 1.00 0.00 H new ATOM 0 HG2 PRO A 28 8.885 5.504 6.768 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.769 6.913 6.218 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.197 7.138 7.142 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.794 8.191 5.875 1.00 0.00 H new ATOM 358 N VAL A 29 6.674 3.327 3.741 1.00 0.00 N ATOM 359 CA VAL A 29 6.033 2.027 3.878 1.00 0.00 C ATOM 360 C VAL A 29 7.076 0.924 3.920 1.00 0.00 C ATOM 361 O VAL A 29 6.865 -0.194 3.455 1.00 0.00 O ATOM 362 CB VAL A 29 5.080 1.858 2.696 1.00 0.00 C ATOM 363 CG1 VAL A 29 4.042 0.750 2.917 1.00 0.00 C ATOM 364 CG2 VAL A 29 4.276 3.146 2.514 1.00 0.00 C ATOM 0 H VAL A 29 7.000 3.509 2.792 1.00 0.00 H new ATOM 0 HA VAL A 29 5.474 1.965 4.812 1.00 0.00 H new ATOM 0 HB VAL A 29 5.703 1.610 1.836 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.394 0.679 2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.552 -0.201 3.070 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.441 0.984 3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.593 3.033 1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.704 3.349 3.420 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.956 3.975 2.321 1.00 0.00 H new ATOM 374 N LYS A 30 8.223 1.239 4.499 1.00 0.00 N ATOM 375 CA LYS A 30 9.339 0.353 4.646 1.00 0.00 C ATOM 376 C LYS A 30 9.061 -0.606 5.817 1.00 0.00 C ATOM 377 O LYS A 30 9.784 -0.652 6.807 1.00 0.00 O ATOM 378 CB LYS A 30 10.530 1.298 4.781 1.00 0.00 C ATOM 379 CG LYS A 30 10.645 2.091 6.099 1.00 0.00 C ATOM 380 CD LYS A 30 11.650 3.252 6.027 1.00 0.00 C ATOM 381 CE LYS A 30 13.126 2.832 6.116 1.00 0.00 C ATOM 382 NZ LYS A 30 13.604 2.138 4.907 1.00 0.00 N ATOM 0 H LYS A 30 8.397 2.163 4.893 1.00 0.00 H new ATOM 0 HA LYS A 30 9.538 -0.328 3.818 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.442 0.715 4.655 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.492 2.012 3.958 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.664 2.485 6.364 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.942 1.412 6.898 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.496 3.790 5.092 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.436 3.950 6.836 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.740 3.717 6.286 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.261 2.180 6.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.623 2.309 4.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.433 1.117 5.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.094 2.498 4.075 1.00 0.00 H new ATOM 396 N GLY A 31 7.945 -1.330 5.710 1.00 0.00 N ATOM 397 CA GLY A 31 7.474 -2.276 6.698 1.00 0.00 C ATOM 398 C GLY A 31 6.884 -1.607 7.939 1.00 0.00 C ATOM 399 O GLY A 31 7.509 -1.639 8.995 1.00 0.00 O ATOM 0 H GLY A 31 7.329 -1.264 4.900 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.718 -2.918 6.245 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.301 -2.920 6.999 1.00 0.00 H new ATOM 403 N GLN A 32 5.667 -1.041 7.843 1.00 0.00 N ATOM 404 CA GLN A 32 4.990 -0.513 9.035 1.00 0.00 C ATOM 405 C GLN A 32 4.843 -1.681 10.017 1.00 0.00 C ATOM 406 O GLN A 32 5.255 -1.640 11.173 1.00 0.00 O ATOM 407 CB GLN A 32 3.624 0.149 8.731 1.00 0.00 C ATOM 408 CG GLN A 32 3.491 1.030 7.473 1.00 0.00 C ATOM 409 CD GLN A 32 4.421 2.240 7.419 1.00 0.00 C ATOM 410 OE1 GLN A 32 5.525 2.180 7.947 1.00 0.00 O ATOM 411 NE2 GLN A 32 4.041 3.329 6.743 1.00 0.00 N ATOM 0 H GLN A 32 5.145 -0.940 6.973 1.00 0.00 H new ATOM 0 HA GLN A 32 5.590 0.291 9.461 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.881 -0.645 8.658 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.354 0.760 9.592 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.677 0.411 6.595 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.461 1.381 7.403 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.119 3.364 6.309 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.673 4.125 6.661 1.00 0.00 H new ATOM 420 N GLY A 33 4.251 -2.736 9.471 1.00 0.00 N ATOM 421 CA GLY A 33 4.079 -4.060 10.057 1.00 0.00 C ATOM 422 C GLY A 33 3.007 -4.802 9.262 1.00 0.00 C ATOM 423 O GLY A 33 2.009 -4.188 8.924 1.00 0.00 O ATOM 0 H GLY A 33 3.848 -2.684 8.535 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.019 -4.611 10.032 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.786 -3.977 11.104 1.00 0.00 H new ATOM 427 N ALA A 34 3.192 -6.076 8.904 1.00 0.00 N ATOM 428 CA ALA A 34 2.243 -6.833 8.079 1.00 0.00 C ATOM 429 C ALA A 34 0.786 -6.668 8.518 1.00 0.00 C ATOM 430 O ALA A 34 -0.086 -6.461 7.681 1.00 0.00 O ATOM 431 CB ALA A 34 2.620 -8.318 8.049 1.00 0.00 C ATOM 0 H ALA A 34 4.012 -6.617 9.181 1.00 0.00 H new ATOM 0 HA ALA A 34 2.315 -6.415 7.075 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.905 -8.863 7.432 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.620 -8.431 7.630 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.604 -8.718 9.063 1.00 0.00 H new ATOM 437 N GLU A 35 0.515 -6.765 9.819 1.00 0.00 N ATOM 438 CA GLU A 35 -0.823 -6.621 10.367 1.00 0.00 C ATOM 439 C GLU A 35 -1.371 -5.229 10.041 1.00 0.00 C ATOM 440 O GLU A 35 -2.457 -5.084 9.479 1.00 0.00 O ATOM 441 CB GLU A 35 -0.765 -6.836 11.887 1.00 0.00 C ATOM 442 CG GLU A 35 -0.529 -8.303 12.290 1.00 0.00 C ATOM 443 CD GLU A 35 0.855 -8.840 11.925 1.00 0.00 C ATOM 444 OE1 GLU A 35 1.806 -8.026 11.908 1.00 0.00 O ATOM 445 OE2 GLU A 35 0.938 -10.058 11.658 1.00 0.00 O ATOM 0 H GLU A 35 1.228 -6.948 10.525 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.488 -7.363 9.925 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.032 -6.220 12.303 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.699 -6.491 12.331 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.671 -8.399 13.366 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.285 -8.925 11.812 1.00 0.00 H new ATOM 452 N GLU A 36 -0.588 -4.214 10.415 1.00 0.00 N ATOM 453 CA GLU A 36 -0.881 -2.805 10.212 1.00 0.00 C ATOM 454 C GLU A 36 -1.209 -2.590 8.742 1.00 0.00 C ATOM 455 O GLU A 36 -2.278 -2.105 8.382 1.00 0.00 O ATOM 456 CB GLU A 36 0.357 -1.966 10.582 1.00 0.00 C ATOM 457 CG GLU A 36 0.643 -1.867 12.080 1.00 0.00 C ATOM 458 CD GLU A 36 0.875 -3.204 12.782 1.00 0.00 C ATOM 459 OE1 GLU A 36 1.528 -4.072 12.162 1.00 0.00 O ATOM 460 OE2 GLU A 36 0.380 -3.341 13.921 1.00 0.00 O ATOM 0 H GLU A 36 0.304 -4.365 10.887 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.722 -2.503 10.836 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.229 -2.394 10.088 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.228 -0.959 10.184 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.522 -1.239 12.226 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.194 -1.361 12.562 1.00 0.00 H new ATOM 467 N LEU A 37 -0.238 -2.948 7.910 1.00 0.00 N ATOM 468 CA LEU A 37 -0.258 -2.877 6.486 1.00 0.00 C ATOM 469 C LEU A 37 -1.539 -3.511 5.958 1.00 0.00 C ATOM 470 O LEU A 37 -2.337 -2.794 5.377 1.00 0.00 O ATOM 471 CB LEU A 37 1.016 -3.578 6.016 1.00 0.00 C ATOM 472 CG LEU A 37 2.270 -2.690 6.060 1.00 0.00 C ATOM 473 CD1 LEU A 37 3.517 -3.545 5.824 1.00 0.00 C ATOM 474 CD2 LEU A 37 2.239 -1.599 4.987 1.00 0.00 C ATOM 0 H LEU A 37 0.644 -3.322 8.259 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.266 -1.856 6.105 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.184 -4.458 6.637 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.869 -3.931 4.995 1.00 0.00 H new ATOM 0 HG LEU A 37 2.293 -2.219 7.043 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.404 -2.912 5.856 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.587 -4.308 6.600 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.449 -4.026 4.848 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.144 -0.996 5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.184 -2.060 4.001 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.367 -0.963 5.140 1.00 0.00 H new ATOM 486 N TYR A 38 -1.759 -4.816 6.147 1.00 0.00 N ATOM 487 CA TYR A 38 -2.953 -5.523 5.685 1.00 0.00 C ATOM 488 C TYR A 38 -4.206 -4.693 5.899 1.00 0.00 C ATOM 489 O TYR A 38 -4.958 -4.396 4.971 1.00 0.00 O ATOM 490 CB TYR A 38 -3.115 -6.826 6.471 1.00 0.00 C ATOM 491 CG TYR A 38 -4.344 -7.637 6.093 1.00 0.00 C ATOM 492 CD1 TYR A 38 -4.681 -7.830 4.739 1.00 0.00 C ATOM 493 CD2 TYR A 38 -5.250 -8.037 7.095 1.00 0.00 C ATOM 494 CE1 TYR A 38 -5.933 -8.367 4.392 1.00 0.00 C ATOM 495 CE2 TYR A 38 -6.484 -8.613 6.747 1.00 0.00 C ATOM 496 CZ TYR A 38 -6.831 -8.764 5.394 1.00 0.00 C ATOM 497 OH TYR A 38 -8.028 -9.312 5.045 1.00 0.00 O ATOM 0 H TYR A 38 -1.098 -5.420 6.635 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.827 -5.719 4.620 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.228 -7.441 6.319 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.162 -6.591 7.534 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.976 -7.565 3.965 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.995 -7.900 8.136 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.204 -8.474 3.352 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.165 -8.939 7.519 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.534 -9.534 5.854 1.00 0.00 H new ATOM 507 N LYS A 39 -4.404 -4.348 7.165 1.00 0.00 N ATOM 508 CA LYS A 39 -5.536 -3.538 7.585 1.00 0.00 C ATOM 509 C LYS A 39 -5.610 -2.250 6.768 1.00 0.00 C ATOM 510 O LYS A 39 -6.667 -1.902 6.250 1.00 0.00 O ATOM 511 CB LYS A 39 -5.421 -3.230 9.084 1.00 0.00 C ATOM 512 CG LYS A 39 -6.735 -2.746 9.714 1.00 0.00 C ATOM 513 CD LYS A 39 -7.796 -3.855 9.785 1.00 0.00 C ATOM 514 CE LYS A 39 -9.025 -3.409 10.585 1.00 0.00 C ATOM 515 NZ LYS A 39 -9.720 -2.277 9.945 1.00 0.00 N ATOM 0 H LYS A 39 -3.784 -4.622 7.927 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.457 -4.095 7.410 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.086 -4.126 9.606 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.655 -2.469 9.232 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.537 -2.372 10.719 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.126 -1.910 9.134 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.100 -4.134 8.776 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.364 -4.744 10.245 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.715 -4.247 10.687 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.719 -3.124 11.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.582 -2.051 10.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.093 -1.447 9.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.976 -2.533 8.970 1.00 0.00 H new ATOM 529 N LYS A 40 -4.489 -1.541 6.668 1.00 0.00 N ATOM 530 CA LYS A 40 -4.377 -0.305 5.914 1.00 0.00 C ATOM 531 C LYS A 40 -4.694 -0.511 4.425 1.00 0.00 C ATOM 532 O LYS A 40 -5.586 0.164 3.923 1.00 0.00 O ATOM 533 CB LYS A 40 -3.004 0.324 6.168 1.00 0.00 C ATOM 534 CG LYS A 40 -2.928 0.875 7.600 1.00 0.00 C ATOM 535 CD LYS A 40 -1.471 1.102 8.019 1.00 0.00 C ATOM 536 CE LYS A 40 -1.372 1.864 9.346 1.00 0.00 C ATOM 537 NZ LYS A 40 -2.028 1.137 10.448 1.00 0.00 N ATOM 0 H LYS A 40 -3.618 -1.819 7.120 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.130 0.401 6.263 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.222 -0.419 6.015 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.826 1.126 5.452 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.480 1.813 7.663 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.405 0.178 8.289 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.966 0.141 8.113 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.951 1.660 7.240 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.323 2.028 9.593 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.831 2.847 9.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.838 1.624 11.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.054 1.106 10.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.655 0.167 10.494 1.00 0.00 H new ATOM 551 N MET A 41 -4.009 -1.409 3.699 1.00 0.00 N ATOM 552 CA MET A 41 -4.311 -1.655 2.287 1.00 0.00 C ATOM 553 C MET A 41 -5.781 -2.043 2.101 1.00 0.00 C ATOM 554 O MET A 41 -6.422 -1.550 1.171 1.00 0.00 O ATOM 555 CB MET A 41 -3.335 -2.623 1.572 1.00 0.00 C ATOM 556 CG MET A 41 -2.635 -3.727 2.387 1.00 0.00 C ATOM 557 SD MET A 41 -0.929 -3.335 2.831 1.00 0.00 S ATOM 558 CE MET A 41 -0.224 -3.199 1.187 1.00 0.00 C ATOM 0 H MET A 41 -3.245 -1.974 4.069 1.00 0.00 H new ATOM 0 HA MET A 41 -4.146 -0.706 1.778 1.00 0.00 H new ATOM 0 HB2 MET A 41 -3.887 -3.110 0.768 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.558 -2.018 1.105 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.205 -3.910 3.298 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.647 -4.653 1.812 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.728 -3.729 1.154 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.908 -3.637 0.460 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.062 -2.148 0.946 1.00 0.00 H new ATOM 568 N LYS A 42 -6.336 -2.889 2.979 1.00 0.00 N ATOM 569 CA LYS A 42 -7.744 -3.247 2.881 1.00 0.00 C ATOM 570 C LYS A 42 -8.589 -1.979 3.046 1.00 0.00 C ATOM 571 O LYS A 42 -9.433 -1.671 2.206 1.00 0.00 O ATOM 572 CB LYS A 42 -8.081 -4.322 3.924 1.00 0.00 C ATOM 573 CG LYS A 42 -9.526 -4.806 3.761 1.00 0.00 C ATOM 574 CD LYS A 42 -9.837 -5.930 4.756 1.00 0.00 C ATOM 575 CE LYS A 42 -11.277 -6.432 4.592 1.00 0.00 C ATOM 576 NZ LYS A 42 -12.268 -5.377 4.875 1.00 0.00 N ATOM 0 H LYS A 42 -5.835 -3.329 3.751 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.968 -3.674 1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.397 -5.164 3.819 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.939 -3.919 4.927 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.213 -3.974 3.918 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.683 -5.161 2.743 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.142 -6.756 4.605 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.688 -5.570 5.774 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.419 -6.799 3.575 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.445 -7.276 5.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.217 -5.799 4.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.036 -4.916 5.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.251 -4.671 4.111 1.00 0.00 H new ATOM 590 N GLY A 43 -8.327 -1.243 4.127 1.00 0.00 N ATOM 591 CA GLY A 43 -8.966 0.012 4.479 1.00 0.00 C ATOM 592 C GLY A 43 -8.955 0.998 3.317 1.00 0.00 C ATOM 593 O GLY A 43 -9.946 1.685 3.076 1.00 0.00 O ATOM 0 H GLY A 43 -7.626 -1.527 4.812 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.995 -0.177 4.785 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.455 0.453 5.335 1.00 0.00 H new ATOM 597 N TYR A 44 -7.818 1.107 2.633 1.00 0.00 N ATOM 598 CA TYR A 44 -7.656 1.971 1.493 1.00 0.00 C ATOM 599 C TYR A 44 -8.548 1.466 0.365 1.00 0.00 C ATOM 600 O TYR A 44 -9.433 2.198 -0.068 1.00 0.00 O ATOM 601 CB TYR A 44 -6.184 1.988 1.068 1.00 0.00 C ATOM 602 CG TYR A 44 -5.274 2.910 1.857 1.00 0.00 C ATOM 603 CD1 TYR A 44 -5.520 4.295 1.848 1.00 0.00 C ATOM 604 CD2 TYR A 44 -4.041 2.435 2.344 1.00 0.00 C ATOM 605 CE1 TYR A 44 -4.526 5.189 2.275 1.00 0.00 C ATOM 606 CE2 TYR A 44 -3.046 3.335 2.756 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.282 4.716 2.703 1.00 0.00 C ATOM 608 OH TYR A 44 -2.275 5.603 2.935 1.00 0.00 O ATOM 0 H TYR A 44 -6.975 0.583 2.869 1.00 0.00 H new ATOM 0 HA TYR A 44 -7.947 2.991 1.743 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.793 0.973 1.143 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.133 2.272 0.017 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.475 4.671 1.512 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.860 1.372 2.401 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.724 6.251 2.273 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.097 2.963 3.114 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.474 5.120 3.228 1.00 0.00 H new ATOM 618 N ALA A 45 -8.335 0.229 -0.100 1.00 0.00 N ATOM 619 CA ALA A 45 -9.093 -0.334 -1.214 1.00 0.00 C ATOM 620 C ALA A 45 -10.604 -0.213 -0.998 1.00 0.00 C ATOM 621 O ALA A 45 -11.322 0.222 -1.894 1.00 0.00 O ATOM 622 CB ALA A 45 -8.682 -1.787 -1.464 1.00 0.00 C ATOM 0 H ALA A 45 -7.635 -0.404 0.286 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.854 0.248 -2.104 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.257 -2.190 -2.298 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.619 -1.829 -1.703 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.876 -2.379 -0.570 1.00 0.00 H new ATOM 628 N ASP A 46 -11.095 -0.558 0.199 1.00 0.00 N ATOM 629 CA ASP A 46 -12.521 -0.474 0.511 1.00 0.00 C ATOM 630 C ASP A 46 -12.999 0.960 0.804 1.00 0.00 C ATOM 631 O ASP A 46 -14.139 1.145 1.221 1.00 0.00 O ATOM 632 CB ASP A 46 -12.907 -1.478 1.612 1.00 0.00 C ATOM 633 CG ASP A 46 -12.334 -1.181 2.996 1.00 0.00 C ATOM 634 OD1 ASP A 46 -12.222 0.014 3.338 1.00 0.00 O ATOM 635 OD2 ASP A 46 -12.040 -2.167 3.708 1.00 0.00 O ATOM 0 H ASP A 46 -10.519 -0.899 0.969 1.00 0.00 H new ATOM 0 HA ASP A 46 -13.061 -0.763 -0.391 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -13.994 -1.511 1.686 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.578 -2.471 1.306 1.00 0.00 H new ATOM 640 N GLY A 47 -12.148 1.972 0.606 1.00 0.00 N ATOM 641 CA GLY A 47 -12.496 3.376 0.760 1.00 0.00 C ATOM 642 C GLY A 47 -12.897 3.782 2.176 1.00 0.00 C ATOM 643 O GLY A 47 -13.688 4.709 2.332 1.00 0.00 O ATOM 0 H GLY A 47 -11.177 1.827 0.328 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.646 3.983 0.450 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.318 3.609 0.083 1.00 0.00 H new ATOM 647 N SER A 48 -12.340 3.130 3.201 1.00 0.00 N ATOM 648 CA SER A 48 -12.607 3.474 4.595 1.00 0.00 C ATOM 649 C SER A 48 -11.425 4.255 5.168 1.00 0.00 C ATOM 650 O SER A 48 -11.583 5.360 5.684 1.00 0.00 O ATOM 651 CB SER A 48 -12.890 2.212 5.415 1.00 0.00 C ATOM 652 OG SER A 48 -13.935 1.477 4.814 1.00 0.00 O ATOM 0 H SER A 48 -11.693 2.350 3.085 1.00 0.00 H new ATOM 0 HA SER A 48 -13.494 4.105 4.646 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.991 1.599 5.478 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.163 2.483 6.435 1.00 0.00 H new ATOM 0 HG SER A 48 -13.569 0.907 4.106 1.00 0.00 H new ATOM 658 N TYR A 49 -10.223 3.684 5.073 1.00 0.00 N ATOM 659 CA TYR A 49 -9.011 4.301 5.590 1.00 0.00 C ATOM 660 C TYR A 49 -8.510 5.353 4.600 1.00 0.00 C ATOM 661 O TYR A 49 -7.466 5.186 3.976 1.00 0.00 O ATOM 662 CB TYR A 49 -7.965 3.218 5.904 1.00 0.00 C ATOM 663 CG TYR A 49 -6.650 3.743 6.454 1.00 0.00 C ATOM 664 CD1 TYR A 49 -6.644 4.500 7.640 1.00 0.00 C ATOM 665 CD2 TYR A 49 -5.450 3.558 5.738 1.00 0.00 C ATOM 666 CE1 TYR A 49 -5.453 5.093 8.088 1.00 0.00 C ATOM 667 CE2 TYR A 49 -4.255 4.140 6.198 1.00 0.00 C ATOM 668 CZ TYR A 49 -4.259 4.903 7.377 1.00 0.00 C ATOM 669 OH TYR A 49 -3.130 5.526 7.813 1.00 0.00 O ATOM 0 H TYR A 49 -10.067 2.777 4.633 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.216 4.818 6.528 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.391 2.519 6.624 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.763 2.654 4.994 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.556 4.625 8.206 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.448 2.968 4.834 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.456 5.697 8.983 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.337 4.001 5.646 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.382 5.300 7.221 1.00 0.00 H new ATOM 679 N GLY A 50 -9.256 6.447 4.445 1.00 0.00 N ATOM 680 CA GLY A 50 -8.855 7.525 3.562 1.00 0.00 C ATOM 681 C GLY A 50 -9.844 8.684 3.625 1.00 0.00 C ATOM 682 O GLY A 50 -10.744 8.681 4.463 1.00 0.00 O ATOM 0 H GLY A 50 -10.143 6.603 4.924 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.861 7.876 3.840 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.788 7.155 2.539 1.00 0.00 H new ATOM 686 N GLY A 51 -9.674 9.675 2.744 1.00 0.00 N ATOM 687 CA GLY A 51 -10.530 10.853 2.687 1.00 0.00 C ATOM 688 C GLY A 51 -9.805 12.018 2.014 1.00 0.00 C ATOM 689 O GLY A 51 -10.333 12.629 1.089 1.00 0.00 O ATOM 0 H GLY A 51 -8.930 9.677 2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -11.442 10.619 2.137 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.830 11.139 3.695 1.00 0.00 H new ATOM 693 N GLU A 52 -8.594 12.319 2.494 1.00 0.00 N ATOM 694 CA GLU A 52 -7.738 13.377 1.967 1.00 0.00 C ATOM 695 C GLU A 52 -6.945 12.820 0.775 1.00 0.00 C ATOM 696 O GLU A 52 -7.520 12.123 -0.056 1.00 0.00 O ATOM 697 CB GLU A 52 -6.884 13.979 3.105 1.00 0.00 C ATOM 698 CG GLU A 52 -5.961 13.005 3.867 1.00 0.00 C ATOM 699 CD GLU A 52 -6.690 12.181 4.926 1.00 0.00 C ATOM 700 OE1 GLU A 52 -7.188 11.098 4.548 1.00 0.00 O ATOM 701 OE2 GLU A 52 -6.741 12.650 6.082 1.00 0.00 O ATOM 0 H GLU A 52 -8.175 11.819 3.279 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.318 14.215 1.580 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.268 14.773 2.684 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.556 14.445 3.825 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.489 12.330 3.153 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.162 13.572 4.345 1.00 0.00 H new ATOM 708 N ARG A 53 -5.626 13.058 0.698 1.00 0.00 N ATOM 709 CA ARG A 53 -4.770 12.501 -0.356 1.00 0.00 C ATOM 710 C ARG A 53 -4.983 10.988 -0.495 1.00 0.00 C ATOM 711 O ARG A 53 -4.896 10.424 -1.582 1.00 0.00 O ATOM 712 CB ARG A 53 -3.293 12.829 -0.079 1.00 0.00 C ATOM 713 CG ARG A 53 -2.751 12.199 1.216 1.00 0.00 C ATOM 714 CD ARG A 53 -1.287 12.579 1.439 1.00 0.00 C ATOM 715 NE ARG A 53 -0.784 12.019 2.701 1.00 0.00 N ATOM 716 CZ ARG A 53 0.407 12.327 3.234 1.00 0.00 C ATOM 717 NH1 ARG A 53 1.264 13.099 2.559 1.00 0.00 N ATOM 718 NH2 ARG A 53 0.744 11.859 4.440 1.00 0.00 N ATOM 0 H ARG A 53 -5.125 13.643 1.367 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.049 12.962 -1.303 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.690 12.485 -0.920 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.175 13.911 -0.023 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.350 12.531 2.064 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.845 11.114 1.164 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.682 12.214 0.609 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.187 13.664 1.453 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.376 11.356 3.201 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.012 13.455 1.637 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.170 13.332 2.966 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.094 11.266 4.957 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.651 12.095 4.843 1.00 0.00 H new ATOM 732 N LYS A 54 -5.295 10.344 0.632 1.00 0.00 N ATOM 733 CA LYS A 54 -5.579 8.928 0.758 1.00 0.00 C ATOM 734 C LYS A 54 -6.666 8.454 -0.216 1.00 0.00 C ATOM 735 O LYS A 54 -6.687 7.289 -0.609 1.00 0.00 O ATOM 736 CB LYS A 54 -5.932 8.656 2.221 1.00 0.00 C ATOM 737 CG LYS A 54 -4.674 8.889 3.070 1.00 0.00 C ATOM 738 CD LYS A 54 -4.798 8.374 4.508 1.00 0.00 C ATOM 739 CE LYS A 54 -3.417 8.489 5.170 1.00 0.00 C ATOM 740 NZ LYS A 54 -3.449 8.145 6.600 1.00 0.00 N ATOM 0 H LYS A 54 -5.357 10.831 1.526 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.699 8.348 0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.737 9.315 2.546 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.288 7.633 2.342 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.827 8.400 2.590 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.455 9.956 3.093 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.536 8.957 5.060 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.140 7.339 4.515 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.715 7.831 4.657 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.045 9.507 5.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.652 8.604 7.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.344 8.474 7.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.374 7.114 6.711 1.00 0.00 H new ATOM 754 N ALA A 55 -7.557 9.358 -0.629 1.00 0.00 N ATOM 755 CA ALA A 55 -8.564 9.069 -1.642 1.00 0.00 C ATOM 756 C ALA A 55 -7.900 8.547 -2.924 1.00 0.00 C ATOM 757 O ALA A 55 -8.457 7.692 -3.608 1.00 0.00 O ATOM 758 CB ALA A 55 -9.387 10.328 -1.925 1.00 0.00 C ATOM 0 H ALA A 55 -7.597 10.311 -0.268 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.233 8.292 -1.271 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.139 10.108 -2.683 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.879 10.654 -1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.729 11.119 -2.285 1.00 0.00 H new ATOM 764 N MET A 56 -6.705 9.046 -3.257 1.00 0.00 N ATOM 765 CA MET A 56 -5.959 8.570 -4.411 1.00 0.00 C ATOM 766 C MET A 56 -5.519 7.127 -4.151 1.00 0.00 C ATOM 767 O MET A 56 -5.740 6.249 -4.981 1.00 0.00 O ATOM 768 CB MET A 56 -4.771 9.505 -4.672 1.00 0.00 C ATOM 769 CG MET A 56 -4.089 9.208 -6.011 1.00 0.00 C ATOM 770 SD MET A 56 -2.754 10.361 -6.420 1.00 0.00 S ATOM 771 CE MET A 56 -2.322 9.758 -8.067 1.00 0.00 C ATOM 0 H MET A 56 -6.236 9.786 -2.734 1.00 0.00 H new ATOM 0 HA MET A 56 -6.579 8.577 -5.307 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.115 10.539 -4.662 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.045 9.403 -3.865 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.687 8.195 -5.987 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.837 9.236 -6.804 1.00 0.00 H new ATOM 0 HE1 MET A 56 -1.509 10.359 -8.473 1.00 0.00 H new ATOM 0 HE2 MET A 56 -2.006 8.717 -8.002 1.00 0.00 H new ATOM 0 HE3 MET A 56 -3.190 9.833 -8.721 1.00 0.00 H new ATOM 781 N MET A 57 -4.927 6.883 -2.978 1.00 0.00 N ATOM 782 CA MET A 57 -4.459 5.587 -2.513 1.00 0.00 C ATOM 783 C MET A 57 -5.571 4.549 -2.655 1.00 0.00 C ATOM 784 O MET A 57 -5.329 3.459 -3.174 1.00 0.00 O ATOM 785 CB MET A 57 -3.990 5.692 -1.056 1.00 0.00 C ATOM 786 CG MET A 57 -2.477 5.566 -0.888 1.00 0.00 C ATOM 787 SD MET A 57 -1.699 4.034 -1.454 1.00 0.00 S ATOM 788 CE MET A 57 -2.726 2.678 -0.849 1.00 0.00 C ATOM 0 H MET A 57 -4.756 7.624 -2.299 1.00 0.00 H new ATOM 0 HA MET A 57 -3.614 5.269 -3.123 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.314 6.649 -0.647 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.478 4.914 -0.469 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.009 6.396 -1.417 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.244 5.691 0.170 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.803 1.909 -1.618 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.275 2.251 0.047 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.721 3.054 -0.610 1.00 0.00 H new ATOM 798 N THR A 58 -6.791 4.894 -2.226 1.00 0.00 N ATOM 799 CA THR A 58 -7.962 4.037 -2.381 1.00 0.00 C ATOM 800 C THR A 58 -8.068 3.484 -3.803 1.00 0.00 C ATOM 801 O THR A 58 -8.492 2.342 -3.980 1.00 0.00 O ATOM 802 CB THR A 58 -9.233 4.790 -1.950 1.00 0.00 C ATOM 803 OG1 THR A 58 -9.229 4.912 -0.544 1.00 0.00 O ATOM 804 CG2 THR A 58 -10.536 4.115 -2.395 1.00 0.00 C ATOM 0 H THR A 58 -6.990 5.780 -1.761 1.00 0.00 H new ATOM 0 HA THR A 58 -7.850 3.174 -1.725 1.00 0.00 H new ATOM 0 HB THR A 58 -9.209 5.763 -2.441 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.298 4.023 -0.138 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.386 4.705 -2.054 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.556 4.045 -3.483 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.593 3.115 -1.966 1.00 0.00 H new ATOM 812 N ASN A 59 -7.685 4.263 -4.823 1.00 0.00 N ATOM 813 CA ASN A 59 -7.678 3.770 -6.193 1.00 0.00 C ATOM 814 C ASN A 59 -6.287 3.675 -6.810 1.00 0.00 C ATOM 815 O ASN A 59 -6.141 3.574 -8.025 1.00 0.00 O ATOM 816 CB ASN A 59 -8.798 4.404 -7.022 1.00 0.00 C ATOM 817 CG ASN A 59 -10.077 3.545 -7.058 1.00 0.00 C ATOM 818 OD1 ASN A 59 -10.918 3.770 -7.922 1.00 0.00 O ATOM 819 ND2 ASN A 59 -10.266 2.532 -6.198 1.00 0.00 N ATOM 0 H ASN A 59 -7.379 5.230 -4.720 1.00 0.00 H new ATOM 0 HA ASN A 59 -7.947 2.714 -6.185 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -9.037 5.385 -6.611 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.444 4.563 -8.041 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.105 1.955 -6.266 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.571 2.339 -5.477 1.00 0.00 H new ATOM 826 N ALA A 60 -5.284 3.572 -5.936 1.00 0.00 N ATOM 827 CA ALA A 60 -3.941 3.131 -6.274 1.00 0.00 C ATOM 828 C ALA A 60 -3.987 1.611 -6.086 1.00 0.00 C ATOM 829 O ALA A 60 -3.776 0.856 -7.030 1.00 0.00 O ATOM 830 CB ALA A 60 -2.885 3.786 -5.382 1.00 0.00 C ATOM 0 H ALA A 60 -5.393 3.801 -4.948 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.656 3.412 -7.288 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.895 3.429 -5.668 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.929 4.869 -5.501 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.077 3.527 -4.341 1.00 0.00 H new ATOM 836 N VAL A 61 -4.394 1.151 -4.893 1.00 0.00 N ATOM 837 CA VAL A 61 -4.605 -0.267 -4.566 1.00 0.00 C ATOM 838 C VAL A 61 -6.045 -0.654 -4.962 1.00 0.00 C ATOM 839 O VAL A 61 -6.727 -1.433 -4.298 1.00 0.00 O ATOM 840 CB VAL A 61 -4.208 -0.494 -3.088 1.00 0.00 C ATOM 841 CG1 VAL A 61 -5.116 0.208 -2.071 1.00 0.00 C ATOM 842 CG2 VAL A 61 -4.108 -1.972 -2.713 1.00 0.00 C ATOM 0 H VAL A 61 -4.591 1.772 -4.108 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.968 -0.944 -5.135 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.220 -0.037 -3.029 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.765 -0.005 -1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.092 1.284 -2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.138 -0.155 -2.184 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.826 -2.063 -1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.073 -2.454 -2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.354 -2.455 -3.334 1.00 0.00 H new ATOM 852 N LYS A 62 -6.450 -0.120 -6.120 1.00 0.00 N ATOM 853 CA LYS A 62 -7.768 -0.101 -6.729 1.00 0.00 C ATOM 854 C LYS A 62 -8.784 -1.090 -6.210 1.00 0.00 C ATOM 855 O LYS A 62 -9.781 -0.682 -5.616 1.00 0.00 O ATOM 856 CB LYS A 62 -7.634 -0.083 -8.259 1.00 0.00 C ATOM 857 CG LYS A 62 -8.933 0.408 -8.908 1.00 0.00 C ATOM 858 CD LYS A 62 -8.740 0.639 -10.410 1.00 0.00 C ATOM 859 CE LYS A 62 -9.994 1.263 -11.037 1.00 0.00 C ATOM 860 NZ LYS A 62 -10.228 2.642 -10.569 1.00 0.00 N ATOM 0 H LYS A 62 -5.777 0.363 -6.715 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.225 0.831 -6.398 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.808 0.566 -8.550 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.396 -1.083 -8.621 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.724 -0.324 -8.747 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.255 1.334 -8.432 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.884 1.293 -10.574 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.516 -0.308 -10.901 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.893 1.262 -12.122 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -10.862 0.648 -10.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.967 3.085 -11.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.534 2.624 -9.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.348 3.190 -10.650 1.00 0.00 H new ATOM 874 N LYS A 63 -8.563 -2.367 -6.484 1.00 0.00 N ATOM 875 CA LYS A 63 -9.480 -3.395 -6.055 1.00 0.00 C ATOM 876 C LYS A 63 -8.702 -4.613 -5.560 1.00 0.00 C ATOM 877 O LYS A 63 -9.121 -5.747 -5.779 1.00 0.00 O ATOM 878 CB LYS A 63 -10.468 -3.696 -7.198 1.00 0.00 C ATOM 879 CG LYS A 63 -9.944 -4.472 -8.422 1.00 0.00 C ATOM 880 CD LYS A 63 -8.745 -3.821 -9.126 1.00 0.00 C ATOM 881 CE LYS A 63 -8.472 -4.473 -10.487 1.00 0.00 C ATOM 882 NZ LYS A 63 -8.124 -5.899 -10.354 1.00 0.00 N ATOM 0 H LYS A 63 -7.754 -2.709 -7.002 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.078 -3.063 -5.206 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.303 -4.258 -6.779 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.869 -2.746 -7.552 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.661 -5.476 -8.105 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.756 -4.581 -9.141 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.936 -2.757 -9.263 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.860 -3.908 -8.495 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.353 -4.372 -11.121 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.658 -3.946 -10.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.848 -6.277 -11.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.331 -6.002 -9.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.947 -6.425 -9.996 1.00 0.00 H new ATOM 896 N ALA A 64 -7.542 -4.383 -4.928 1.00 0.00 N ATOM 897 CA ALA A 64 -6.727 -5.478 -4.418 1.00 0.00 C ATOM 898 C ALA A 64 -7.579 -6.408 -3.550 1.00 0.00 C ATOM 899 O ALA A 64 -8.246 -5.956 -2.621 1.00 0.00 O ATOM 900 CB ALA A 64 -5.551 -4.922 -3.622 1.00 0.00 C ATOM 0 H ALA A 64 -7.155 -3.454 -4.762 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.336 -6.055 -5.256 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.946 -5.746 -3.244 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.941 -4.290 -4.268 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.925 -4.332 -2.785 1.00 0.00 H new ATOM 906 N SER A 65 -7.568 -7.701 -3.872 1.00 0.00 N ATOM 907 CA SER A 65 -8.342 -8.716 -3.168 1.00 0.00 C ATOM 908 C SER A 65 -7.486 -9.329 -2.058 1.00 0.00 C ATOM 909 O SER A 65 -6.279 -9.115 -2.031 1.00 0.00 O ATOM 910 CB SER A 65 -8.839 -9.748 -4.186 1.00 0.00 C ATOM 911 OG SER A 65 -7.773 -10.173 -5.013 1.00 0.00 O ATOM 0 H SER A 65 -7.012 -8.076 -4.641 1.00 0.00 H new ATOM 0 HA SER A 65 -9.219 -8.284 -2.685 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.269 -10.604 -3.666 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.632 -9.315 -4.796 1.00 0.00 H new ATOM 0 HG SER A 65 -8.102 -10.833 -5.658 1.00 0.00 H new ATOM 917 N ASP A 66 -8.094 -10.093 -1.144 1.00 0.00 N ATOM 918 CA ASP A 66 -7.433 -10.684 0.021 1.00 0.00 C ATOM 919 C ASP A 66 -6.019 -11.193 -0.253 1.00 0.00 C ATOM 920 O ASP A 66 -5.093 -10.805 0.454 1.00 0.00 O ATOM 921 CB ASP A 66 -8.302 -11.796 0.623 1.00 0.00 C ATOM 922 CG ASP A 66 -9.614 -11.254 1.180 1.00 0.00 C ATOM 923 OD1 ASP A 66 -10.420 -10.779 0.349 1.00 0.00 O ATOM 924 OD2 ASP A 66 -9.781 -11.319 2.416 1.00 0.00 O ATOM 0 H ASP A 66 -9.086 -10.323 -1.197 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.319 -9.875 0.742 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.514 -12.545 -0.140 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.750 -12.298 1.418 1.00 0.00 H new ATOM 929 N GLU A 67 -5.847 -12.054 -1.261 1.00 0.00 N ATOM 930 CA GLU A 67 -4.534 -12.578 -1.623 1.00 0.00 C ATOM 931 C GLU A 67 -3.552 -11.425 -1.834 1.00 0.00 C ATOM 932 O GLU A 67 -2.486 -11.372 -1.226 1.00 0.00 O ATOM 933 CB GLU A 67 -4.647 -13.428 -2.900 1.00 0.00 C ATOM 934 CG GLU A 67 -3.301 -14.055 -3.300 1.00 0.00 C ATOM 935 CD GLU A 67 -3.349 -14.622 -4.715 1.00 0.00 C ATOM 936 OE1 GLU A 67 -4.028 -15.656 -4.889 1.00 0.00 O ATOM 937 OE2 GLU A 67 -2.716 -14.002 -5.598 1.00 0.00 O ATOM 0 H GLU A 67 -6.609 -12.403 -1.842 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.162 -13.207 -0.814 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.382 -14.218 -2.745 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.014 -12.807 -3.717 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.514 -13.304 -3.234 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.044 -14.848 -2.597 1.00 0.00 H new ATOM 944 N GLU A 68 -3.945 -10.506 -2.711 1.00 0.00 N ATOM 945 CA GLU A 68 -3.162 -9.352 -3.097 1.00 0.00 C ATOM 946 C GLU A 68 -2.841 -8.510 -1.859 1.00 0.00 C ATOM 947 O GLU A 68 -1.684 -8.179 -1.635 1.00 0.00 O ATOM 948 CB GLU A 68 -3.938 -8.523 -4.135 1.00 0.00 C ATOM 949 CG GLU A 68 -4.638 -9.281 -5.275 1.00 0.00 C ATOM 950 CD GLU A 68 -3.719 -10.062 -6.201 1.00 0.00 C ATOM 951 OE1 GLU A 68 -2.962 -10.913 -5.689 1.00 0.00 O ATOM 952 OE2 GLU A 68 -3.794 -9.804 -7.422 1.00 0.00 O ATOM 0 H GLU A 68 -4.848 -10.552 -3.184 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.224 -9.679 -3.546 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.693 -7.943 -3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.245 -7.811 -4.582 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.359 -9.972 -4.839 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.203 -8.565 -5.871 1.00 0.00 H new ATOM 959 N LEU A 69 -3.853 -8.166 -1.056 1.00 0.00 N ATOM 960 CA LEU A 69 -3.736 -7.343 0.119 1.00 0.00 C ATOM 961 C LEU A 69 -2.750 -7.951 1.113 1.00 0.00 C ATOM 962 O LEU A 69 -1.779 -7.306 1.510 1.00 0.00 O ATOM 963 CB LEU A 69 -5.139 -7.263 0.726 1.00 0.00 C ATOM 964 CG LEU A 69 -6.143 -6.399 -0.050 1.00 0.00 C ATOM 965 CD1 LEU A 69 -7.536 -6.572 0.568 1.00 0.00 C ATOM 966 CD2 LEU A 69 -5.761 -4.919 0.008 1.00 0.00 C ATOM 0 H LEU A 69 -4.810 -8.474 -1.227 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.356 -6.352 -0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.540 -8.273 0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.056 -6.872 1.740 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.138 -6.720 -1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.255 -5.961 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.832 -7.619 0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.512 -6.259 1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.491 -4.333 -0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.747 -4.587 1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.773 -4.781 -0.430 1.00 0.00 H new ATOM 978 N LYS A 70 -3.009 -9.196 1.518 1.00 0.00 N ATOM 979 CA LYS A 70 -2.185 -9.897 2.485 1.00 0.00 C ATOM 980 C LYS A 70 -0.765 -10.034 1.953 1.00 0.00 C ATOM 981 O LYS A 70 0.194 -9.799 2.682 1.00 0.00 O ATOM 982 CB LYS A 70 -2.800 -11.268 2.801 1.00 0.00 C ATOM 983 CG LYS A 70 -4.147 -11.111 3.516 1.00 0.00 C ATOM 984 CD LYS A 70 -4.863 -12.458 3.648 1.00 0.00 C ATOM 985 CE LYS A 70 -6.230 -12.253 4.311 1.00 0.00 C ATOM 986 NZ LYS A 70 -6.976 -13.519 4.413 1.00 0.00 N ATOM 0 H LYS A 70 -3.801 -9.742 1.179 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.144 -9.325 3.412 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.937 -11.831 1.878 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.116 -11.842 3.426 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.989 -10.682 4.505 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.777 -10.414 2.963 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.989 -12.912 2.665 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.260 -13.145 4.241 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.093 -11.829 5.306 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.811 -11.533 3.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.896 -13.344 4.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.127 -13.910 3.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.432 -14.197 4.984 1.00 0.00 H new ATOM 1000 N ALA A 71 -0.623 -10.398 0.680 1.00 0.00 N ATOM 1001 CA ALA A 71 0.686 -10.569 0.087 1.00 0.00 C ATOM 1002 C ALA A 71 1.422 -9.239 -0.084 1.00 0.00 C ATOM 1003 O ALA A 71 2.641 -9.211 0.046 1.00 0.00 O ATOM 1004 CB ALA A 71 0.555 -11.343 -1.219 1.00 0.00 C ATOM 0 H ALA A 71 -1.402 -10.578 0.047 1.00 0.00 H new ATOM 0 HA ALA A 71 1.306 -11.153 0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.541 -11.472 -1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.116 -12.321 -1.020 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.086 -10.791 -1.907 1.00 0.00 H new ATOM 1010 N LEU A 72 0.725 -8.134 -0.366 1.00 0.00 N ATOM 1011 CA LEU A 72 1.342 -6.832 -0.491 1.00 0.00 C ATOM 1012 C LEU A 72 1.858 -6.440 0.889 1.00 0.00 C ATOM 1013 O LEU A 72 3.021 -6.062 1.034 1.00 0.00 O ATOM 1014 CB LEU A 72 0.288 -5.843 -0.990 1.00 0.00 C ATOM 1015 CG LEU A 72 0.128 -5.756 -2.513 1.00 0.00 C ATOM 1016 CD1 LEU A 72 -1.187 -5.038 -2.837 1.00 0.00 C ATOM 1017 CD2 LEU A 72 1.310 -4.995 -3.132 1.00 0.00 C ATOM 0 H LEU A 72 -0.284 -8.129 -0.512 1.00 0.00 H new ATOM 0 HA LEU A 72 2.170 -6.836 -1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.674 -6.116 -0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.538 -4.852 -0.612 1.00 0.00 H new ATOM 0 HG LEU A 72 0.110 -6.762 -2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.309 -4.972 -3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.021 -5.596 -2.412 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.168 -4.034 -2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.182 -4.942 -4.213 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.349 -3.986 -2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.239 -5.516 -2.902 1.00 0.00 H new ATOM 1029 N ALA A 73 0.983 -6.541 1.897 1.00 0.00 N ATOM 1030 CA ALA A 73 1.356 -6.294 3.278 1.00 0.00 C ATOM 1031 C ALA A 73 2.583 -7.127 3.646 1.00 0.00 C ATOM 1032 O ALA A 73 3.567 -6.594 4.152 1.00 0.00 O ATOM 1033 CB ALA A 73 0.177 -6.629 4.193 1.00 0.00 C ATOM 0 H ALA A 73 0.003 -6.795 1.770 1.00 0.00 H new ATOM 0 HA ALA A 73 1.609 -5.241 3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.457 -6.444 5.230 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.676 -6.004 3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.091 -7.679 4.072 1.00 0.00 H new ATOM 1039 N ASP A 74 2.532 -8.435 3.378 1.00 0.00 N ATOM 1040 CA ASP A 74 3.639 -9.337 3.657 1.00 0.00 C ATOM 1041 C ASP A 74 4.914 -8.855 2.967 1.00 0.00 C ATOM 1042 O ASP A 74 5.945 -8.734 3.623 1.00 0.00 O ATOM 1043 CB ASP A 74 3.296 -10.766 3.228 1.00 0.00 C ATOM 1044 CG ASP A 74 4.462 -11.708 3.507 1.00 0.00 C ATOM 1045 OD1 ASP A 74 4.660 -12.030 4.698 1.00 0.00 O ATOM 1046 OD2 ASP A 74 5.141 -12.082 2.526 1.00 0.00 O ATOM 0 H ASP A 74 1.721 -8.892 2.962 1.00 0.00 H new ATOM 0 HA ASP A 74 3.814 -9.339 4.733 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.410 -11.108 3.762 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.054 -10.784 2.165 1.00 0.00 H new ATOM 1051 N TYR A 75 4.843 -8.577 1.659 1.00 0.00 N ATOM 1052 CA TYR A 75 5.983 -8.118 0.882 1.00 0.00 C ATOM 1053 C TYR A 75 6.617 -6.893 1.547 1.00 0.00 C ATOM 1054 O TYR A 75 7.778 -6.927 1.945 1.00 0.00 O ATOM 1055 CB TYR A 75 5.546 -7.838 -0.565 1.00 0.00 C ATOM 1056 CG TYR A 75 6.688 -7.561 -1.522 1.00 0.00 C ATOM 1057 CD1 TYR A 75 7.295 -6.291 -1.555 1.00 0.00 C ATOM 1058 CD2 TYR A 75 7.163 -8.583 -2.365 1.00 0.00 C ATOM 1059 CE1 TYR A 75 8.396 -6.061 -2.395 1.00 0.00 C ATOM 1060 CE2 TYR A 75 8.237 -8.336 -3.239 1.00 0.00 C ATOM 1061 CZ TYR A 75 8.854 -7.074 -3.251 1.00 0.00 C ATOM 1062 OH TYR A 75 9.894 -6.823 -4.095 1.00 0.00 O ATOM 0 H TYR A 75 3.985 -8.667 1.115 1.00 0.00 H new ATOM 0 HA TYR A 75 6.746 -8.895 0.850 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.980 -8.694 -0.933 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.870 -6.983 -0.568 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.914 -5.494 -0.934 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.702 -9.559 -2.341 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.892 -5.102 -2.382 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.587 -9.115 -3.900 1.00 0.00 H new ATOM 0 HH TYR A 75 10.091 -7.627 -4.620 1.00 0.00 H new ATOM 1072 N MET A 76 5.857 -5.806 1.691 1.00 0.00 N ATOM 1073 CA MET A 76 6.317 -4.585 2.297 1.00 0.00 C ATOM 1074 C MET A 76 6.787 -4.779 3.739 1.00 0.00 C ATOM 1075 O MET A 76 7.701 -4.099 4.189 1.00 0.00 O ATOM 1076 CB MET A 76 5.158 -3.610 2.165 1.00 0.00 C ATOM 1077 CG MET A 76 4.985 -3.228 0.688 1.00 0.00 C ATOM 1078 SD MET A 76 4.410 -1.546 0.376 1.00 0.00 S ATOM 1079 CE MET A 76 2.657 -1.802 0.650 1.00 0.00 C ATOM 0 H MET A 76 4.887 -5.763 1.379 1.00 0.00 H new ATOM 0 HA MET A 76 7.207 -4.201 1.797 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.242 -4.062 2.546 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.347 -2.719 2.764 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.941 -3.365 0.182 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.280 -3.924 0.232 1.00 0.00 H new ATOM 0 HE1 MET A 76 2.131 -0.852 0.554 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.272 -2.506 -0.088 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.500 -2.204 1.651 1.00 0.00 H new ATOM 1089 N SER A 77 6.186 -5.713 4.471 1.00 0.00 N ATOM 1090 CA SER A 77 6.628 -6.049 5.819 1.00 0.00 C ATOM 1091 C SER A 77 7.928 -6.868 5.820 1.00 0.00 C ATOM 1092 O SER A 77 8.336 -7.304 6.897 1.00 0.00 O ATOM 1093 CB SER A 77 5.526 -6.812 6.559 1.00 0.00 C ATOM 1094 OG SER A 77 5.803 -6.860 7.949 1.00 0.00 O ATOM 0 H SER A 77 5.384 -6.255 4.148 1.00 0.00 H new ATOM 0 HA SER A 77 6.835 -5.111 6.335 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.564 -6.328 6.390 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.447 -7.824 6.163 1.00 0.00 H new ATOM 0 HG SER A 77 6.761 -7.013 8.087 1.00 0.00 H new ATOM 1100 N LYS A 78 8.545 -7.129 4.660 1.00 0.00 N ATOM 1101 CA LYS A 78 9.773 -7.895 4.518 1.00 0.00 C ATOM 1102 C LYS A 78 10.585 -7.179 3.437 1.00 0.00 C ATOM 1103 O LYS A 78 11.039 -7.792 2.472 1.00 0.00 O ATOM 1104 CB LYS A 78 9.424 -9.331 4.090 1.00 0.00 C ATOM 1105 CG LYS A 78 8.619 -10.103 5.146 1.00 0.00 C ATOM 1106 CD LYS A 78 8.053 -11.416 4.590 1.00 0.00 C ATOM 1107 CE LYS A 78 9.141 -12.406 4.164 1.00 0.00 C ATOM 1108 NZ LYS A 78 8.548 -13.680 3.721 1.00 0.00 N ATOM 0 H LYS A 78 8.183 -6.797 3.766 1.00 0.00 H new ATOM 0 HA LYS A 78 10.339 -7.959 5.447 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.853 -9.297 3.162 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.345 -9.873 3.878 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.257 -10.317 6.003 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.801 -9.479 5.506 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.422 -11.882 5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.415 -11.196 3.734 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.734 -11.976 3.357 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.820 -12.587 4.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.304 -14.335 3.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.002 -14.099 4.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.918 -13.507 2.912 1.00 0.00 H new ATOM 1122 N LEU A 79 10.736 -5.864 3.595 1.00 0.00 N ATOM 1123 CA LEU A 79 11.316 -4.961 2.643 1.00 0.00 C ATOM 1124 C LEU A 79 11.890 -3.812 3.473 1.00 0.00 C ATOM 1125 O LEU A 79 11.347 -3.621 4.586 1.00 0.00 O ATOM 1126 CB LEU A 79 10.135 -4.521 1.774 1.00 0.00 C ATOM 1127 CG LEU A 79 10.485 -3.464 0.746 1.00 0.00 C ATOM 1128 CD1 LEU A 79 11.353 -4.075 -0.355 1.00 0.00 C ATOM 1129 CD2 LEU A 79 9.198 -2.877 0.161 1.00 0.00 C ATOM 1130 OXT LEU A 79 12.844 -3.163 2.993 1.00 0.00 O ATOM 0 H LEU A 79 10.434 -5.389 4.446 1.00 0.00 H new ATOM 0 HA LEU A 79 12.107 -5.366 2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.731 -5.393 1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.345 -4.137 2.420 1.00 0.00 H new ATOM 0 HG LEU A 79 11.051 -2.663 1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.601 -3.309 -1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.271 -4.469 0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.807 -4.883 -0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.448 -2.116 -0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.620 -3.669 -0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.608 -2.427 0.959 1.00 0.00 H new