USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 594 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 69 SER OG : rot -89:sc= 1.45 USER MOD Set 1.2: A 71 THR OG1 : rot -57:sc= 0.677 USER MOD Set 2.1: A 39 LYS NZ :NH3+ -141:sc= 0.304 (180deg=0) USER MOD Set 2.2: A 58 GLN : amide:sc= 0.0673 K(o=0.37,f=-1.1) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.229) USER MOD Single : A 11 GLN : amide:sc= 0.283 X(o=0.28,f=-0.00055) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0869 USER MOD Single : A 16 GLN : amide:sc= -0.285 X(o=-0.29,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0311) USER MOD Single : A 18 ASN : amide:sc= -0.22 K(o=-0.22,f=-2.7!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot -72:sc= -0.336 USER MOD Single : A 37 SER OG : rot 170:sc= 0 USER MOD Single : A 38 THR OG1 : rot 150:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 167:sc= -0.0593 (180deg=-0.28) USER MOD Single : A 47 MET CE :methyl -100:sc=-0.00465 (180deg=-1.2) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.488 F(o=-1.2,f=-0.49) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.58 USER MOD Single : A 60 MET CE :methyl -122:sc= -0.0877 (180deg=-0.61) USER MOD Single : A 80 MET CE :methyl -160:sc= -0.116 (180deg=-0.469) USER MOD Single : A 81 MET CE :methyl 167:sc= -0.407 (180deg=-0.977) USER MOD ----------------------------------------------------------------- ATOM 65 N TYR A 5 -5.884 7.575 0.555 1.00 0.00 N ATOM 66 CA TYR A 5 -5.387 6.883 -0.638 1.00 0.00 C ATOM 67 C TYR A 5 -6.505 6.754 -1.674 1.00 0.00 C ATOM 68 O TYR A 5 -6.266 6.858 -2.879 1.00 0.00 O ATOM 69 CB TYR A 5 -4.864 5.485 -0.278 1.00 0.00 C ATOM 70 CG TYR A 5 -3.726 5.612 0.711 1.00 0.00 C ATOM 71 CD1 TYR A 5 -2.415 5.796 0.253 1.00 0.00 C ATOM 72 CD2 TYR A 5 -3.985 5.555 2.087 1.00 0.00 C ATOM 73 CE1 TYR A 5 -1.365 5.925 1.170 1.00 0.00 C ATOM 74 CE2 TYR A 5 -2.936 5.682 3.002 1.00 0.00 C ATOM 75 CZ TYR A 5 -1.626 5.867 2.545 1.00 0.00 C ATOM 76 OH TYR A 5 -0.594 6.000 3.451 1.00 0.00 O ATOM 0 HA TYR A 5 -4.568 7.470 -1.054 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.666 4.884 0.150 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.524 4.970 -1.176 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.214 5.838 -0.807 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -4.996 5.413 2.441 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.354 6.069 0.817 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.136 5.637 4.062 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.949 5.937 4.362 1.00 0.00 H new ATOM 86 N LYS A 6 -7.731 6.540 -1.184 1.00 0.00 N ATOM 87 CA LYS A 6 -8.894 6.412 -2.067 1.00 0.00 C ATOM 88 C LYS A 6 -9.464 7.793 -2.429 1.00 0.00 C ATOM 89 O LYS A 6 -10.209 7.927 -3.401 1.00 0.00 O ATOM 90 CB LYS A 6 -9.992 5.581 -1.395 1.00 0.00 C ATOM 91 CG LYS A 6 -9.793 4.103 -1.738 1.00 0.00 C ATOM 92 CD LYS A 6 -10.615 3.235 -0.780 1.00 0.00 C ATOM 93 CE LYS A 6 -9.702 2.661 0.308 1.00 0.00 C ATOM 94 NZ LYS A 6 -9.597 3.628 1.439 1.00 0.00 N ATOM 0 H LYS A 6 -7.942 6.453 -0.190 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.562 5.911 -2.977 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.961 5.722 -0.315 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.973 5.915 -1.732 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.098 3.914 -2.767 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.737 3.842 -1.665 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.409 3.828 -0.326 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.096 2.426 -1.329 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.099 1.711 0.665 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.713 2.459 -0.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.166 3.157 2.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.005 4.434 1.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.546 3.968 1.694 1.00 0.00 H new ATOM 108 N ALA A 7 -9.104 8.816 -1.643 1.00 0.00 N ATOM 109 CA ALA A 7 -9.581 10.179 -1.895 1.00 0.00 C ATOM 110 C ALA A 7 -8.927 10.765 -3.153 1.00 0.00 C ATOM 111 O ALA A 7 -9.503 11.630 -3.812 1.00 0.00 O ATOM 112 CB ALA A 7 -9.267 11.085 -0.702 1.00 0.00 C ATOM 0 H ALA A 7 -8.489 8.726 -0.834 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.660 10.129 -2.043 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.628 12.093 -0.906 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.760 10.697 0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.190 11.111 -0.539 1.00 0.00 H new ATOM 118 N ALA A 8 -7.721 10.284 -3.477 1.00 0.00 N ATOM 119 CA ALA A 8 -7.003 10.768 -4.658 1.00 0.00 C ATOM 120 C ALA A 8 -7.474 10.040 -5.916 1.00 0.00 C ATOM 121 O ALA A 8 -7.714 10.663 -6.950 1.00 0.00 O ATOM 122 CB ALA A 8 -5.500 10.551 -4.499 1.00 0.00 C ATOM 0 H ALA A 8 -7.228 9.568 -2.944 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.212 11.833 -4.756 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.984 10.917 -5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.145 11.094 -3.623 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.297 9.487 -4.374 1.00 0.00 H new ATOM 128 N VAL A 9 -7.603 8.710 -5.816 1.00 0.00 N ATOM 129 CA VAL A 9 -8.048 7.900 -6.957 1.00 0.00 C ATOM 130 C VAL A 9 -9.471 8.290 -7.391 1.00 0.00 C ATOM 131 O VAL A 9 -9.845 8.111 -8.551 1.00 0.00 O ATOM 132 CB VAL A 9 -8.001 6.401 -6.613 1.00 0.00 C ATOM 133 CG1 VAL A 9 -9.060 6.063 -5.560 1.00 0.00 C ATOM 134 CG2 VAL A 9 -8.260 5.576 -7.877 1.00 0.00 C ATOM 0 H VAL A 9 -7.408 8.178 -4.968 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.366 8.095 -7.785 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.015 6.163 -6.213 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.015 4.999 -5.327 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.871 6.641 -4.655 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.049 6.308 -5.947 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.226 4.514 -7.632 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.242 5.825 -8.279 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.496 5.801 -8.621 1.00 0.00 H new ATOM 144 N GLU A 10 -10.257 8.829 -6.454 1.00 0.00 N ATOM 145 CA GLU A 10 -11.624 9.244 -6.765 1.00 0.00 C ATOM 146 C GLU A 10 -11.656 10.634 -7.423 1.00 0.00 C ATOM 147 O GLU A 10 -12.668 11.018 -8.012 1.00 0.00 O ATOM 148 CB GLU A 10 -12.478 9.263 -5.492 1.00 0.00 C ATOM 149 CG GLU A 10 -12.001 10.375 -4.549 1.00 0.00 C ATOM 150 CD GLU A 10 -13.157 10.836 -3.669 1.00 0.00 C ATOM 151 OE1 GLU A 10 -13.917 11.681 -4.117 1.00 0.00 O ATOM 152 OE2 GLU A 10 -13.266 10.342 -2.559 1.00 0.00 O ATOM 0 H GLU A 10 -9.973 8.986 -5.487 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.033 8.520 -7.470 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.525 9.420 -5.750 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.415 8.298 -4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.182 10.012 -3.928 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.615 11.214 -5.127 1.00 0.00 H new ATOM 159 N GLN A 11 -10.550 11.388 -7.309 1.00 0.00 N ATOM 160 CA GLN A 11 -10.495 12.734 -7.894 1.00 0.00 C ATOM 161 C GLN A 11 -9.373 12.879 -8.939 1.00 0.00 C ATOM 162 O GLN A 11 -9.003 13.997 -9.304 1.00 0.00 O ATOM 163 CB GLN A 11 -10.296 13.783 -6.789 1.00 0.00 C ATOM 164 CG GLN A 11 -8.897 13.646 -6.171 1.00 0.00 C ATOM 165 CD GLN A 11 -8.703 14.714 -5.098 1.00 0.00 C ATOM 166 OE1 GLN A 11 -8.819 15.908 -5.373 1.00 0.00 O ATOM 167 NE2 GLN A 11 -8.408 14.353 -3.878 1.00 0.00 N ATOM 0 H GLN A 11 -9.700 11.095 -6.828 1.00 0.00 H new ATOM 0 HA GLN A 11 -11.445 12.896 -8.402 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -10.423 14.784 -7.201 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -11.056 13.657 -6.018 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -8.776 12.654 -5.736 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.135 13.750 -6.944 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.311 13.364 -3.648 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.274 15.060 -3.155 1.00 0.00 H new ATOM 176 N LEU A 12 -8.841 11.751 -9.429 1.00 0.00 N ATOM 177 CA LEU A 12 -7.773 11.802 -10.438 1.00 0.00 C ATOM 178 C LEU A 12 -8.361 12.002 -11.840 1.00 0.00 C ATOM 179 O LEU A 12 -9.579 12.086 -12.011 1.00 0.00 O ATOM 180 CB LEU A 12 -6.918 10.522 -10.422 1.00 0.00 C ATOM 181 CG LEU A 12 -7.668 9.204 -10.190 1.00 0.00 C ATOM 182 CD1 LEU A 12 -8.811 9.062 -11.200 1.00 0.00 C ATOM 183 CD2 LEU A 12 -6.698 8.033 -10.357 1.00 0.00 C ATOM 0 H LEU A 12 -9.124 10.811 -9.151 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.135 12.649 -10.187 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.390 10.452 -11.373 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.161 10.626 -9.644 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.081 9.203 -9.181 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.336 8.123 -11.026 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.506 9.894 -11.082 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.405 9.068 -12.212 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.228 7.095 -10.193 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.284 8.044 -11.365 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.889 8.124 -9.632 1.00 0.00 H new ATOM 195 N THR A 13 -7.477 12.081 -12.840 1.00 0.00 N ATOM 196 CA THR A 13 -7.914 12.274 -14.226 1.00 0.00 C ATOM 197 C THR A 13 -8.176 10.932 -14.905 1.00 0.00 C ATOM 198 O THR A 13 -7.762 9.877 -14.418 1.00 0.00 O ATOM 199 CB THR A 13 -6.854 13.029 -15.045 1.00 0.00 C ATOM 200 OG1 THR A 13 -5.581 12.905 -14.426 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.236 14.506 -15.148 1.00 0.00 C ATOM 0 H THR A 13 -6.466 12.015 -12.718 1.00 0.00 H new ATOM 0 HA THR A 13 -8.833 12.859 -14.190 1.00 0.00 H new ATOM 0 HB THR A 13 -6.806 12.599 -16.045 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.912 13.387 -14.955 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.482 15.037 -15.729 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.204 14.598 -15.640 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.294 14.937 -14.149 1.00 0.00 H new ATOM 209 N ASP A 14 -8.849 10.996 -16.054 1.00 0.00 N ATOM 210 CA ASP A 14 -9.149 9.792 -16.830 1.00 0.00 C ATOM 211 C ASP A 14 -7.859 9.202 -17.400 1.00 0.00 C ATOM 212 O ASP A 14 -7.733 7.986 -17.553 1.00 0.00 O ATOM 213 CB ASP A 14 -10.104 10.115 -17.983 1.00 0.00 C ATOM 214 CG ASP A 14 -11.501 10.388 -17.430 1.00 0.00 C ATOM 215 OD1 ASP A 14 -12.234 9.433 -17.228 1.00 0.00 O ATOM 216 OD2 ASP A 14 -11.816 11.547 -17.216 1.00 0.00 O ATOM 0 H ASP A 14 -9.195 11.863 -16.466 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.623 9.070 -16.166 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -9.744 10.984 -18.534 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.136 9.282 -18.686 1.00 0.00 H new ATOM 221 N GLU A 15 -6.895 10.084 -17.699 1.00 0.00 N ATOM 222 CA GLU A 15 -5.605 9.650 -18.237 1.00 0.00 C ATOM 223 C GLU A 15 -4.812 8.883 -17.174 1.00 0.00 C ATOM 224 O GLU A 15 -4.041 7.979 -17.496 1.00 0.00 O ATOM 225 CB GLU A 15 -4.780 10.854 -18.704 1.00 0.00 C ATOM 226 CG GLU A 15 -5.362 11.405 -20.011 1.00 0.00 C ATOM 227 CD GLU A 15 -6.298 12.573 -19.703 1.00 0.00 C ATOM 228 OE1 GLU A 15 -5.810 13.685 -19.594 1.00 0.00 O ATOM 229 OE2 GLU A 15 -7.490 12.337 -19.584 1.00 0.00 O ATOM 0 H GLU A 15 -6.986 11.093 -17.578 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.801 8.997 -19.087 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.784 11.629 -17.938 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.741 10.559 -18.853 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.558 11.734 -20.669 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.904 10.620 -20.539 1.00 0.00 H new ATOM 236 N GLN A 16 -5.023 9.249 -15.902 1.00 0.00 N ATOM 237 CA GLN A 16 -4.337 8.583 -14.792 1.00 0.00 C ATOM 238 C GLN A 16 -4.854 7.153 -14.640 1.00 0.00 C ATOM 239 O GLN A 16 -4.074 6.215 -14.456 1.00 0.00 O ATOM 240 CB GLN A 16 -4.570 9.341 -13.480 1.00 0.00 C ATOM 241 CG GLN A 16 -3.232 9.562 -12.770 1.00 0.00 C ATOM 242 CD GLN A 16 -3.477 9.816 -11.285 1.00 0.00 C ATOM 243 OE1 GLN A 16 -3.316 8.916 -10.461 1.00 0.00 O ATOM 244 NE2 GLN A 16 -3.863 11.000 -10.891 1.00 0.00 N ATOM 0 H GLN A 16 -5.658 9.996 -15.620 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.270 8.568 -15.012 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.049 10.299 -13.682 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.245 8.777 -12.837 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.592 8.690 -12.899 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.709 10.410 -13.213 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.997 11.746 -11.573 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.031 11.178 -9.901 1.00 0.00 H new ATOM 253 N LYS A 17 -6.179 6.998 -14.733 1.00 0.00 N ATOM 254 CA LYS A 17 -6.801 5.677 -14.622 1.00 0.00 C ATOM 255 C LYS A 17 -6.377 4.799 -15.798 1.00 0.00 C ATOM 256 O LYS A 17 -6.041 3.626 -15.626 1.00 0.00 O ATOM 257 CB LYS A 17 -8.330 5.790 -14.624 1.00 0.00 C ATOM 258 CG LYS A 17 -8.796 6.586 -13.401 1.00 0.00 C ATOM 259 CD LYS A 17 -10.118 7.292 -13.720 1.00 0.00 C ATOM 260 CE LYS A 17 -11.272 6.284 -13.673 1.00 0.00 C ATOM 261 NZ LYS A 17 -11.667 6.036 -12.255 1.00 0.00 N ATOM 0 H LYS A 17 -6.835 7.764 -14.884 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.474 5.232 -13.682 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.666 6.281 -15.538 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.777 4.796 -14.613 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.925 5.919 -12.548 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.039 7.319 -13.121 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.294 8.094 -13.003 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.066 7.752 -14.707 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.124 6.665 -14.236 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.970 5.349 -14.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.523 5.446 -12.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.895 5.545 -11.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.858 6.943 -11.784 1.00 0.00 H new ATOM 275 N ASN A 18 -6.387 5.392 -16.998 1.00 0.00 N ATOM 276 CA ASN A 18 -5.996 4.668 -18.210 1.00 0.00 C ATOM 277 C ASN A 18 -4.495 4.362 -18.209 1.00 0.00 C ATOM 278 O ASN A 18 -4.056 3.396 -18.831 1.00 0.00 O ATOM 279 CB ASN A 18 -6.338 5.486 -19.461 1.00 0.00 C ATOM 280 CG ASN A 18 -7.840 5.415 -19.733 1.00 0.00 C ATOM 281 OD1 ASN A 18 -8.450 4.351 -19.625 1.00 0.00 O ATOM 282 ND2 ASN A 18 -8.480 6.498 -20.087 1.00 0.00 N ATOM 0 H ASN A 18 -6.659 6.363 -17.154 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.551 3.730 -18.224 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.033 6.523 -19.323 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.786 5.103 -20.319 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.482 6.460 -20.273 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.977 7.381 -20.177 1.00 0.00 H new ATOM 289 N GLU A 19 -3.716 5.194 -17.507 1.00 0.00 N ATOM 290 CA GLU A 19 -2.266 4.998 -17.431 1.00 0.00 C ATOM 291 C GLU A 19 -1.942 3.603 -16.894 1.00 0.00 C ATOM 292 O GLU A 19 -1.173 2.854 -17.501 1.00 0.00 O ATOM 293 CB GLU A 19 -1.629 6.051 -16.516 1.00 0.00 C ATOM 294 CG GLU A 19 -0.108 6.028 -16.682 1.00 0.00 C ATOM 295 CD GLU A 19 0.299 6.972 -17.813 1.00 0.00 C ATOM 296 OE1 GLU A 19 0.416 8.159 -17.554 1.00 0.00 O ATOM 297 OE2 GLU A 19 0.489 6.491 -18.919 1.00 0.00 O ATOM 0 H GLU A 19 -4.062 6.001 -16.989 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.859 5.101 -18.437 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.016 7.040 -16.760 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.894 5.852 -15.478 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.374 6.330 -15.752 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.229 5.015 -16.902 1.00 0.00 H new ATOM 304 N PHE A 20 -2.543 3.261 -15.751 1.00 0.00 N ATOM 305 CA PHE A 20 -2.318 1.952 -15.137 1.00 0.00 C ATOM 306 C PHE A 20 -3.159 0.877 -15.826 1.00 0.00 C ATOM 307 O PHE A 20 -2.665 -0.208 -16.121 1.00 0.00 O ATOM 308 CB PHE A 20 -2.688 1.979 -13.653 1.00 0.00 C ATOM 309 CG PHE A 20 -1.550 2.560 -12.845 1.00 0.00 C ATOM 310 CD1 PHE A 20 -1.491 3.938 -12.606 1.00 0.00 C ATOM 311 CD2 PHE A 20 -0.559 1.719 -12.329 1.00 0.00 C ATOM 312 CE1 PHE A 20 -0.441 4.471 -11.849 1.00 0.00 C ATOM 313 CE2 PHE A 20 0.491 2.250 -11.575 1.00 0.00 C ATOM 314 CZ PHE A 20 0.550 3.628 -11.333 1.00 0.00 C ATOM 0 H PHE A 20 -3.183 3.867 -15.237 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.259 1.718 -15.249 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.590 2.573 -13.506 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.912 0.970 -13.307 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.255 4.589 -13.005 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.605 0.656 -12.514 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.396 5.534 -11.663 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.256 1.598 -11.179 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.359 4.040 -10.749 1.00 0.00 H new ATOM 324 N LYS A 21 -4.439 1.187 -16.066 1.00 0.00 N ATOM 325 CA LYS A 21 -5.355 0.233 -16.709 1.00 0.00 C ATOM 326 C LYS A 21 -4.788 -0.279 -18.038 1.00 0.00 C ATOM 327 O LYS A 21 -4.922 -1.460 -18.360 1.00 0.00 O ATOM 328 CB LYS A 21 -6.720 0.886 -16.951 1.00 0.00 C ATOM 329 CG LYS A 21 -7.729 -0.171 -17.417 1.00 0.00 C ATOM 330 CD LYS A 21 -7.908 -0.084 -18.937 1.00 0.00 C ATOM 331 CE LYS A 21 -8.978 0.960 -19.271 1.00 0.00 C ATOM 332 NZ LYS A 21 -9.420 0.788 -20.686 1.00 0.00 N ATOM 0 H LYS A 21 -4.863 2.084 -15.827 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.472 -0.616 -16.036 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.074 1.360 -16.035 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.629 1.671 -17.702 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.382 -1.166 -17.139 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.687 -0.017 -16.920 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.963 0.185 -19.409 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.198 -1.056 -19.335 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.829 0.852 -18.598 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.580 1.964 -19.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.146 1.497 -20.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.606 0.912 -21.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.816 -0.165 -20.813 1.00 0.00 H new ATOM 346 N ALA A 22 -4.149 0.615 -18.801 1.00 0.00 N ATOM 347 CA ALA A 22 -3.557 0.232 -20.088 1.00 0.00 C ATOM 348 C ALA A 22 -2.498 -0.850 -19.880 1.00 0.00 C ATOM 349 O ALA A 22 -2.527 -1.899 -20.526 1.00 0.00 O ATOM 350 CB ALA A 22 -2.906 1.439 -20.762 1.00 0.00 C ATOM 0 H ALA A 22 -4.029 1.597 -18.554 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.354 -0.150 -20.725 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.473 1.134 -21.715 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.658 2.209 -20.935 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.122 1.836 -20.118 1.00 0.00 H new ATOM 356 N ALA A 23 -1.576 -0.584 -18.948 1.00 0.00 N ATOM 357 CA ALA A 23 -0.515 -1.539 -18.625 1.00 0.00 C ATOM 358 C ALA A 23 -1.124 -2.798 -18.009 1.00 0.00 C ATOM 359 O ALA A 23 -0.642 -3.908 -18.221 1.00 0.00 O ATOM 360 CB ALA A 23 0.476 -0.928 -17.630 1.00 0.00 C ATOM 0 H ALA A 23 -1.544 0.281 -18.408 1.00 0.00 H new ATOM 0 HA ALA A 23 0.012 -1.791 -19.545 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.257 -1.653 -17.402 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.925 -0.036 -18.066 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.048 -0.660 -16.713 1.00 0.00 H new ATOM 366 N PHE A 24 -2.204 -2.603 -17.252 1.00 0.00 N ATOM 367 CA PHE A 24 -2.903 -3.715 -16.611 1.00 0.00 C ATOM 368 C PHE A 24 -3.425 -4.691 -17.665 1.00 0.00 C ATOM 369 O PHE A 24 -3.269 -5.903 -17.535 1.00 0.00 O ATOM 370 CB PHE A 24 -4.092 -3.186 -15.795 1.00 0.00 C ATOM 371 CG PHE A 24 -4.354 -4.075 -14.601 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.532 -5.454 -14.769 1.00 0.00 C ATOM 373 CD2 PHE A 24 -4.427 -3.515 -13.324 1.00 0.00 C ATOM 374 CE1 PHE A 24 -4.782 -6.269 -13.661 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.676 -4.328 -12.217 1.00 0.00 C ATOM 376 CZ PHE A 24 -4.853 -5.703 -12.385 1.00 0.00 C ATOM 0 H PHE A 24 -2.613 -1.687 -17.068 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.201 -4.229 -15.954 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.887 -2.169 -15.460 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.981 -3.141 -16.424 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.476 -5.888 -15.756 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.291 -2.452 -13.193 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.920 -7.332 -13.791 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.732 -3.893 -11.230 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.045 -6.330 -11.527 1.00 0.00 H new ATOM 386 N ASP A 25 -4.053 -4.138 -18.706 1.00 0.00 N ATOM 387 CA ASP A 25 -4.620 -4.952 -19.786 1.00 0.00 C ATOM 388 C ASP A 25 -3.548 -5.767 -20.518 1.00 0.00 C ATOM 389 O ASP A 25 -3.767 -6.934 -20.846 1.00 0.00 O ATOM 390 CB ASP A 25 -5.340 -4.060 -20.802 1.00 0.00 C ATOM 391 CG ASP A 25 -6.515 -4.820 -21.412 1.00 0.00 C ATOM 392 OD1 ASP A 25 -6.284 -5.593 -22.329 1.00 0.00 O ATOM 393 OD2 ASP A 25 -7.628 -4.618 -20.954 1.00 0.00 O ATOM 0 H ASP A 25 -4.182 -3.133 -18.824 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.324 -5.644 -19.324 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.695 -3.152 -20.316 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.647 -3.752 -21.585 1.00 0.00 H new ATOM 398 N ILE A 26 -2.399 -5.141 -20.789 1.00 0.00 N ATOM 399 CA ILE A 26 -1.314 -5.826 -21.507 1.00 0.00 C ATOM 400 C ILE A 26 -0.609 -6.854 -20.613 1.00 0.00 C ATOM 401 O ILE A 26 -0.229 -7.929 -21.079 1.00 0.00 O ATOM 402 CB ILE A 26 -0.280 -4.822 -22.047 1.00 0.00 C ATOM 403 CG1 ILE A 26 0.274 -3.964 -20.901 1.00 0.00 C ATOM 404 CG2 ILE A 26 -0.948 -3.915 -23.084 1.00 0.00 C ATOM 405 CD1 ILE A 26 1.391 -3.057 -21.418 1.00 0.00 C ATOM 0 H ILE A 26 -2.195 -4.176 -20.528 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.773 -6.348 -22.347 1.00 0.00 H new ATOM 0 HB ILE A 26 0.541 -5.370 -22.509 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.524 -3.361 -20.469 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.654 -4.606 -20.106 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.218 -3.203 -23.468 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.331 -4.521 -23.905 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.772 -3.374 -22.618 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.778 -2.452 -20.598 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.195 -3.668 -21.829 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.998 -2.403 -22.197 1.00 0.00 H new ATOM 417 N PHE A 27 -0.435 -6.516 -19.331 1.00 0.00 N ATOM 418 CA PHE A 27 0.231 -7.427 -18.392 1.00 0.00 C ATOM 419 C PHE A 27 -0.692 -8.585 -18.002 1.00 0.00 C ATOM 420 O PHE A 27 -0.236 -9.718 -17.836 1.00 0.00 O ATOM 421 CB PHE A 27 0.671 -6.685 -17.121 1.00 0.00 C ATOM 422 CG PHE A 27 1.714 -5.635 -17.455 1.00 0.00 C ATOM 423 CD1 PHE A 27 2.666 -5.871 -18.459 1.00 0.00 C ATOM 424 CD2 PHE A 27 1.723 -4.420 -16.760 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.621 -4.894 -18.763 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.678 -3.443 -17.066 1.00 0.00 C ATOM 427 CZ PHE A 27 3.626 -3.680 -18.067 1.00 0.00 C ATOM 0 H PHE A 27 -0.741 -5.632 -18.923 1.00 0.00 H new ATOM 0 HA PHE A 27 1.111 -7.824 -18.898 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.192 -6.213 -16.651 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.078 -7.395 -16.401 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.662 -6.807 -18.997 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.992 -4.236 -15.986 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.354 -5.077 -19.535 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.683 -2.506 -16.529 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.362 -2.926 -18.303 1.00 0.00 H new ATOM 437 N ILE A 28 -1.993 -8.295 -17.860 1.00 0.00 N ATOM 438 CA ILE A 28 -2.962 -9.331 -17.492 1.00 0.00 C ATOM 439 C ILE A 28 -3.884 -9.651 -18.684 1.00 0.00 C ATOM 440 O ILE A 28 -5.089 -9.861 -18.535 1.00 0.00 O ATOM 441 CB ILE A 28 -3.763 -8.887 -16.238 1.00 0.00 C ATOM 442 CG1 ILE A 28 -4.181 -10.107 -15.412 1.00 0.00 C ATOM 443 CG2 ILE A 28 -5.023 -8.096 -16.613 1.00 0.00 C ATOM 444 CD1 ILE A 28 -2.983 -11.029 -15.183 1.00 0.00 C ATOM 0 H ILE A 28 -2.392 -7.366 -17.992 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.432 -10.249 -17.238 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.105 -8.242 -15.655 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.588 -9.784 -14.454 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.973 -10.650 -15.928 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.553 -7.805 -15.706 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.740 -7.203 -17.170 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.673 -8.717 -17.230 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.295 -11.892 -14.595 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.595 -11.366 -16.144 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.204 -10.487 -14.647 1.00 0.00 H new ATOM 456 N GLN A 29 -3.280 -9.703 -19.880 1.00 0.00 N ATOM 457 CA GLN A 29 -4.023 -10.006 -21.111 1.00 0.00 C ATOM 458 C GLN A 29 -4.875 -11.265 -20.936 1.00 0.00 C ATOM 459 O GLN A 29 -6.082 -11.249 -21.185 1.00 0.00 O ATOM 460 CB GLN A 29 -3.052 -10.209 -22.281 1.00 0.00 C ATOM 461 CG GLN A 29 -3.837 -10.325 -23.591 1.00 0.00 C ATOM 462 CD GLN A 29 -2.965 -9.861 -24.754 1.00 0.00 C ATOM 463 OE1 GLN A 29 -2.370 -10.680 -25.455 1.00 0.00 O ATOM 464 NE2 GLN A 29 -2.850 -8.584 -25.004 1.00 0.00 N ATOM 0 H GLN A 29 -2.283 -9.540 -20.021 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.679 -9.162 -21.324 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.355 -9.373 -22.337 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.458 -11.109 -22.121 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.151 -11.357 -23.748 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.743 -9.721 -23.539 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.342 -7.904 -24.424 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.268 -8.266 -25.779 1.00 0.00 H new ATOM 473 N ASP A 30 -4.234 -12.351 -20.492 1.00 0.00 N ATOM 474 CA ASP A 30 -4.942 -13.614 -20.271 1.00 0.00 C ATOM 475 C ASP A 30 -5.341 -13.751 -18.794 1.00 0.00 C ATOM 476 O ASP A 30 -5.170 -14.810 -18.182 1.00 0.00 O ATOM 477 CB ASP A 30 -4.056 -14.799 -20.678 1.00 0.00 C ATOM 478 CG ASP A 30 -4.923 -15.912 -21.263 1.00 0.00 C ATOM 479 OD1 ASP A 30 -5.138 -15.900 -22.464 1.00 0.00 O ATOM 480 OD2 ASP A 30 -5.357 -16.761 -20.502 1.00 0.00 O ATOM 0 H ASP A 30 -3.237 -12.381 -20.281 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.843 -13.615 -20.885 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.316 -14.478 -21.411 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.507 -15.169 -19.812 1.00 0.00 H new ATOM 485 N ALA A 31 -5.869 -12.656 -18.227 1.00 0.00 N ATOM 486 CA ALA A 31 -6.286 -12.635 -16.825 1.00 0.00 C ATOM 487 C ALA A 31 -7.225 -13.788 -16.488 1.00 0.00 C ATOM 488 O ALA A 31 -8.028 -14.233 -17.312 1.00 0.00 O ATOM 489 CB ALA A 31 -7.012 -11.330 -16.494 1.00 0.00 C ATOM 0 H ALA A 31 -6.016 -11.776 -18.721 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.374 -12.729 -16.235 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.313 -11.337 -15.446 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.345 -10.487 -16.675 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.896 -11.235 -17.125 1.00 0.00 H new ATOM 495 N GLU A 32 -7.117 -14.237 -15.244 1.00 0.00 N ATOM 496 CA GLU A 32 -7.956 -15.322 -14.731 1.00 0.00 C ATOM 497 C GLU A 32 -8.524 -14.960 -13.347 1.00 0.00 C ATOM 498 O GLU A 32 -9.083 -15.812 -12.653 1.00 0.00 O ATOM 499 CB GLU A 32 -7.147 -16.623 -14.629 1.00 0.00 C ATOM 500 CG GLU A 32 -5.925 -16.413 -13.727 1.00 0.00 C ATOM 501 CD GLU A 32 -5.030 -17.648 -13.784 1.00 0.00 C ATOM 502 OE1 GLU A 32 -4.188 -17.704 -14.666 1.00 0.00 O ATOM 503 OE2 GLU A 32 -5.200 -18.517 -12.945 1.00 0.00 O ATOM 0 H GLU A 32 -6.453 -13.866 -14.565 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.782 -15.468 -15.427 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.773 -17.419 -14.227 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.826 -16.940 -15.621 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.369 -15.533 -14.050 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.244 -16.230 -12.701 1.00 0.00 H new ATOM 510 N ASP A 33 -8.372 -13.681 -12.960 1.00 0.00 N ATOM 511 CA ASP A 33 -8.863 -13.196 -11.665 1.00 0.00 C ATOM 512 C ASP A 33 -9.062 -11.676 -11.702 1.00 0.00 C ATOM 513 O ASP A 33 -10.076 -11.163 -11.226 1.00 0.00 O ATOM 514 CB ASP A 33 -7.865 -13.533 -10.547 1.00 0.00 C ATOM 515 CG ASP A 33 -8.088 -14.964 -10.061 1.00 0.00 C ATOM 516 OD1 ASP A 33 -9.082 -15.196 -9.392 1.00 0.00 O ATOM 517 OD2 ASP A 33 -7.258 -15.807 -10.364 1.00 0.00 O ATOM 0 H ASP A 33 -7.913 -12.968 -13.527 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.815 -13.688 -11.466 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.845 -13.419 -10.913 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.986 -12.836 -9.718 1.00 0.00 H new ATOM 522 N GLY A 34 -8.077 -10.965 -12.271 1.00 0.00 N ATOM 523 CA GLY A 34 -8.142 -9.504 -12.366 1.00 0.00 C ATOM 524 C GLY A 34 -7.010 -8.850 -11.569 1.00 0.00 C ATOM 525 O GLY A 34 -7.199 -7.799 -10.952 1.00 0.00 O ATOM 0 H GLY A 34 -7.233 -11.377 -12.669 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.078 -9.201 -13.411 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.104 -9.154 -11.991 1.00 0.00 H new ATOM 529 N CYS A 35 -5.831 -9.484 -11.591 1.00 0.00 N ATOM 530 CA CYS A 35 -4.665 -8.965 -10.870 1.00 0.00 C ATOM 531 C CYS A 35 -3.387 -9.265 -11.651 1.00 0.00 C ATOM 532 O CYS A 35 -3.238 -10.346 -12.225 1.00 0.00 O ATOM 533 CB CYS A 35 -4.543 -9.605 -9.479 1.00 0.00 C ATOM 534 SG CYS A 35 -6.183 -10.030 -8.836 1.00 0.00 S ATOM 0 H CYS A 35 -5.661 -10.353 -12.098 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.799 -7.889 -10.761 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.924 -10.500 -9.536 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.045 -8.916 -8.797 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.811 -8.943 -8.497 1.00 0.00 H new ATOM 540 N ILE A 36 -2.459 -8.303 -11.658 1.00 0.00 N ATOM 541 CA ILE A 36 -1.188 -8.491 -12.366 1.00 0.00 C ATOM 542 C ILE A 36 -0.186 -9.211 -11.461 1.00 0.00 C ATOM 543 O ILE A 36 -0.466 -9.477 -10.291 1.00 0.00 O ATOM 544 CB ILE A 36 -0.585 -7.150 -12.825 1.00 0.00 C ATOM 545 CG1 ILE A 36 -0.085 -6.348 -11.614 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.637 -6.332 -13.577 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.446 -6.393 -11.563 1.00 0.00 C ATOM 0 H ILE A 36 -2.560 -7.402 -11.191 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.393 -9.093 -13.251 1.00 0.00 H new ATOM 0 HB ILE A 36 0.255 -7.357 -13.488 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.426 -5.315 -11.683 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.502 -6.760 -10.695 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.201 -5.386 -13.897 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.976 -6.890 -14.450 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.484 -6.137 -12.920 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.798 -5.823 -10.703 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.777 -7.428 -11.473 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.853 -5.960 -12.477 1.00 0.00 H new ATOM 559 N SER A 37 0.985 -9.521 -12.015 1.00 0.00 N ATOM 560 CA SER A 37 2.021 -10.207 -11.248 1.00 0.00 C ATOM 561 C SER A 37 2.960 -9.196 -10.591 1.00 0.00 C ATOM 562 O SER A 37 3.690 -8.474 -11.273 1.00 0.00 O ATOM 563 CB SER A 37 2.835 -11.137 -12.152 1.00 0.00 C ATOM 564 OG SER A 37 3.886 -11.735 -11.400 1.00 0.00 O ATOM 0 H SER A 37 1.238 -9.311 -12.981 1.00 0.00 H new ATOM 0 HA SER A 37 1.529 -10.798 -10.475 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.190 -11.909 -12.572 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.248 -10.576 -12.990 1.00 0.00 H new ATOM 0 HG SER A 37 4.304 -12.446 -11.930 1.00 0.00 H new ATOM 570 N THR A 38 2.941 -9.165 -9.254 1.00 0.00 N ATOM 571 CA THR A 38 3.810 -8.256 -8.494 1.00 0.00 C ATOM 572 C THR A 38 5.276 -8.493 -8.864 1.00 0.00 C ATOM 573 O THR A 38 6.086 -7.567 -8.875 1.00 0.00 O ATOM 574 CB THR A 38 3.642 -8.473 -6.985 1.00 0.00 C ATOM 575 OG1 THR A 38 3.952 -9.822 -6.659 1.00 0.00 O ATOM 576 CG2 THR A 38 2.202 -8.168 -6.583 1.00 0.00 C ATOM 0 H THR A 38 2.339 -9.753 -8.678 1.00 0.00 H new ATOM 0 HA THR A 38 3.523 -7.235 -8.745 1.00 0.00 H new ATOM 0 HB THR A 38 4.317 -7.808 -6.447 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.311 -9.864 -5.748 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.083 -8.322 -5.511 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.967 -7.132 -6.829 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.525 -8.831 -7.122 1.00 0.00 H new ATOM 584 N LYS A 39 5.598 -9.751 -9.180 1.00 0.00 N ATOM 585 CA LYS A 39 6.965 -10.115 -9.575 1.00 0.00 C ATOM 586 C LYS A 39 7.309 -9.469 -10.919 1.00 0.00 C ATOM 587 O LYS A 39 8.467 -9.142 -11.187 1.00 0.00 O ATOM 588 CB LYS A 39 7.116 -11.641 -9.704 1.00 0.00 C ATOM 589 CG LYS A 39 6.502 -12.350 -8.487 1.00 0.00 C ATOM 590 CD LYS A 39 6.932 -11.648 -7.196 1.00 0.00 C ATOM 591 CE LYS A 39 6.510 -12.491 -5.990 1.00 0.00 C ATOM 592 NZ LYS A 39 6.687 -11.701 -4.737 1.00 0.00 N ATOM 0 H LYS A 39 4.939 -10.529 -9.171 1.00 0.00 H new ATOM 0 HA LYS A 39 7.644 -9.756 -8.801 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.628 -11.984 -10.616 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.171 -11.902 -9.789 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.415 -12.349 -8.566 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.819 -13.393 -8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.012 -11.503 -7.191 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.477 -10.659 -7.139 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.469 -12.797 -6.094 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.107 -13.402 -5.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.049 -12.320 -3.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.363 -10.929 -4.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.772 -11.302 -4.446 1.00 0.00 H new ATOM 606 N GLU A 40 6.280 -9.284 -11.755 1.00 0.00 N ATOM 607 CA GLU A 40 6.458 -8.669 -13.075 1.00 0.00 C ATOM 608 C GLU A 40 6.347 -7.136 -13.010 1.00 0.00 C ATOM 609 O GLU A 40 6.332 -6.471 -14.049 1.00 0.00 O ATOM 610 CB GLU A 40 5.405 -9.197 -14.053 1.00 0.00 C ATOM 611 CG GLU A 40 5.696 -10.664 -14.384 1.00 0.00 C ATOM 612 CD GLU A 40 4.887 -11.081 -15.608 1.00 0.00 C ATOM 613 OE1 GLU A 40 3.757 -11.510 -15.429 1.00 0.00 O ATOM 614 OE2 GLU A 40 5.407 -10.968 -16.705 1.00 0.00 O ATOM 0 H GLU A 40 5.319 -9.551 -11.541 1.00 0.00 H new ATOM 0 HA GLU A 40 7.458 -8.933 -13.419 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.410 -9.103 -13.617 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.411 -8.600 -14.965 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.760 -10.800 -14.575 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.441 -11.297 -13.534 1.00 0.00 H new ATOM 621 N LEU A 41 6.280 -6.576 -11.788 1.00 0.00 N ATOM 622 CA LEU A 41 6.187 -5.118 -11.620 1.00 0.00 C ATOM 623 C LEU A 41 7.383 -4.409 -12.279 1.00 0.00 C ATOM 624 O LEU A 41 7.307 -3.221 -12.584 1.00 0.00 O ATOM 625 CB LEU A 41 6.134 -4.742 -10.131 1.00 0.00 C ATOM 626 CG LEU A 41 5.263 -3.527 -9.767 1.00 0.00 C ATOM 627 CD1 LEU A 41 5.950 -2.236 -10.224 1.00 0.00 C ATOM 628 CD2 LEU A 41 3.888 -3.640 -10.441 1.00 0.00 C ATOM 0 H LEU A 41 6.288 -7.104 -10.915 1.00 0.00 H new ATOM 0 HA LEU A 41 5.268 -4.792 -12.106 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.769 -5.604 -9.573 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.151 -4.549 -9.790 1.00 0.00 H new ATOM 0 HG LEU A 41 5.131 -3.504 -8.685 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.327 -1.380 -9.963 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.918 -2.145 -9.731 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.094 -2.263 -11.304 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.281 -2.775 -10.176 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.015 -3.677 -11.523 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.391 -4.549 -10.103 1.00 0.00 H new ATOM 640 N GLY A 42 8.480 -5.151 -12.506 1.00 0.00 N ATOM 641 CA GLY A 42 9.671 -4.577 -13.146 1.00 0.00 C ATOM 642 C GLY A 42 9.339 -4.005 -14.530 1.00 0.00 C ATOM 643 O GLY A 42 9.953 -3.034 -14.975 1.00 0.00 O ATOM 0 H GLY A 42 8.565 -6.137 -12.259 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.082 -3.790 -12.514 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.440 -5.343 -13.242 1.00 0.00 H new ATOM 647 N LYS A 43 8.352 -4.613 -15.199 1.00 0.00 N ATOM 648 CA LYS A 43 7.929 -4.149 -16.526 1.00 0.00 C ATOM 649 C LYS A 43 6.928 -2.989 -16.407 1.00 0.00 C ATOM 650 O LYS A 43 6.656 -2.289 -17.384 1.00 0.00 O ATOM 651 CB LYS A 43 7.265 -5.288 -17.315 1.00 0.00 C ATOM 652 CG LYS A 43 8.182 -6.516 -17.344 1.00 0.00 C ATOM 653 CD LYS A 43 9.369 -6.251 -18.271 1.00 0.00 C ATOM 654 CE LYS A 43 10.247 -7.503 -18.348 1.00 0.00 C ATOM 655 NZ LYS A 43 11.678 -7.103 -18.480 1.00 0.00 N ATOM 0 H LYS A 43 7.836 -5.419 -14.848 1.00 0.00 H new ATOM 0 HA LYS A 43 8.822 -3.809 -17.051 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.310 -5.549 -16.858 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.052 -4.960 -18.332 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.537 -6.741 -16.338 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.627 -7.388 -17.689 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.014 -5.981 -19.266 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.952 -5.407 -17.901 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.110 -8.111 -17.454 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.950 -8.116 -19.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.273 -7.954 -18.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.803 -6.540 -19.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.957 -6.535 -17.655 1.00 0.00 H new ATOM 669 N VAL A 44 6.380 -2.800 -15.198 1.00 0.00 N ATOM 670 CA VAL A 44 5.407 -1.735 -14.948 1.00 0.00 C ATOM 671 C VAL A 44 6.100 -0.482 -14.424 1.00 0.00 C ATOM 672 O VAL A 44 5.780 0.629 -14.842 1.00 0.00 O ATOM 673 CB VAL A 44 4.361 -2.173 -13.916 1.00 0.00 C ATOM 674 CG1 VAL A 44 3.083 -1.361 -14.125 1.00 0.00 C ATOM 675 CG2 VAL A 44 4.051 -3.667 -14.076 1.00 0.00 C ATOM 0 H VAL A 44 6.596 -3.372 -14.381 1.00 0.00 H new ATOM 0 HA VAL A 44 4.917 -1.520 -15.897 1.00 0.00 H new ATOM 0 HB VAL A 44 4.752 -2.001 -12.913 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.334 -1.667 -13.395 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.301 -0.301 -13.999 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.701 -1.536 -15.131 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.307 -3.965 -13.337 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.663 -3.853 -15.077 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.963 -4.246 -13.927 1.00 0.00 H new ATOM 685 N MET A 45 7.042 -0.676 -13.492 1.00 0.00 N ATOM 686 CA MET A 45 7.778 0.445 -12.898 1.00 0.00 C ATOM 687 C MET A 45 8.319 1.383 -13.978 1.00 0.00 C ATOM 688 O MET A 45 8.300 2.603 -13.813 1.00 0.00 O ATOM 689 CB MET A 45 8.949 -0.058 -12.036 1.00 0.00 C ATOM 690 CG MET A 45 9.834 -1.010 -12.849 1.00 0.00 C ATOM 691 SD MET A 45 11.174 -1.639 -11.808 1.00 0.00 S ATOM 692 CE MET A 45 12.452 -1.697 -13.090 1.00 0.00 C ATOM 0 H MET A 45 7.311 -1.593 -13.135 1.00 0.00 H new ATOM 0 HA MET A 45 7.077 0.992 -12.268 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.540 0.787 -11.683 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.567 -0.570 -11.153 1.00 0.00 H new ATOM 0 HG2 MET A 45 9.238 -1.839 -13.231 1.00 0.00 H new ATOM 0 HG3 MET A 45 10.246 -0.489 -13.713 1.00 0.00 H new ATOM 0 HE1 MET A 45 13.428 -1.839 -12.625 1.00 0.00 H new ATOM 0 HE2 MET A 45 12.250 -2.526 -13.768 1.00 0.00 H new ATOM 0 HE3 MET A 45 12.449 -0.761 -13.649 1.00 0.00 H new ATOM 702 N ARG A 46 8.790 0.803 -15.088 1.00 0.00 N ATOM 703 CA ARG A 46 9.327 1.609 -16.191 1.00 0.00 C ATOM 704 C ARG A 46 8.217 2.427 -16.862 1.00 0.00 C ATOM 705 O ARG A 46 8.454 3.540 -17.336 1.00 0.00 O ATOM 706 CB ARG A 46 10.019 0.722 -17.236 1.00 0.00 C ATOM 707 CG ARG A 46 9.010 -0.239 -17.878 1.00 0.00 C ATOM 708 CD ARG A 46 9.676 -1.596 -18.123 1.00 0.00 C ATOM 709 NE ARG A 46 10.772 -1.477 -19.089 1.00 0.00 N ATOM 710 CZ ARG A 46 11.691 -2.442 -19.237 1.00 0.00 C ATOM 711 NH1 ARG A 46 11.632 -3.541 -18.520 1.00 0.00 N ATOM 712 NH2 ARG A 46 12.657 -2.288 -20.108 1.00 0.00 N ATOM 0 H ARG A 46 8.811 -0.204 -15.246 1.00 0.00 H new ATOM 0 HA ARG A 46 10.063 2.293 -15.768 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.477 1.345 -18.005 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.822 0.155 -16.766 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.144 -0.360 -17.228 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.647 0.174 -18.819 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.057 -1.993 -17.182 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.937 -2.307 -18.492 1.00 0.00 H new ATOM 0 HE ARG A 46 10.837 -0.637 -19.664 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.881 -3.668 -17.841 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.337 -4.268 -18.642 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.707 -1.438 -20.669 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.359 -3.018 -20.225 1.00 0.00 H new ATOM 726 N MET A 47 7.002 1.870 -16.880 1.00 0.00 N ATOM 727 CA MET A 47 5.851 2.558 -17.474 1.00 0.00 C ATOM 728 C MET A 47 5.357 3.672 -16.545 1.00 0.00 C ATOM 729 O MET A 47 4.860 4.701 -17.005 1.00 0.00 O ATOM 730 CB MET A 47 4.699 1.578 -17.723 1.00 0.00 C ATOM 731 CG MET A 47 5.156 0.457 -18.663 1.00 0.00 C ATOM 732 SD MET A 47 5.378 1.115 -20.335 1.00 0.00 S ATOM 733 CE MET A 47 6.528 -0.149 -20.928 1.00 0.00 C ATOM 0 H MET A 47 6.790 0.950 -16.493 1.00 0.00 H new ATOM 0 HA MET A 47 6.174 2.985 -18.423 1.00 0.00 H new ATOM 0 HB2 MET A 47 4.360 1.155 -16.777 1.00 0.00 H new ATOM 0 HB3 MET A 47 3.850 2.105 -18.159 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.091 0.027 -18.304 1.00 0.00 H new ATOM 0 HG3 MET A 47 4.419 -0.346 -18.673 1.00 0.00 H new ATOM 0 HE1 MET A 47 7.547 0.236 -20.883 1.00 0.00 H new ATOM 0 HE2 MET A 47 6.447 -1.037 -20.301 1.00 0.00 H new ATOM 0 HE3 MET A 47 6.284 -0.409 -21.958 1.00 0.00 H new ATOM 743 N LEU A 48 5.506 3.453 -15.231 1.00 0.00 N ATOM 744 CA LEU A 48 5.084 4.442 -14.236 1.00 0.00 C ATOM 745 C LEU A 48 6.004 5.666 -14.273 1.00 0.00 C ATOM 746 O LEU A 48 5.577 6.786 -13.992 1.00 0.00 O ATOM 747 CB LEU A 48 5.128 3.836 -12.830 1.00 0.00 C ATOM 748 CG LEU A 48 3.858 3.109 -12.380 1.00 0.00 C ATOM 749 CD1 LEU A 48 3.581 1.923 -13.307 1.00 0.00 C ATOM 750 CD2 LEU A 48 4.051 2.598 -10.950 1.00 0.00 C ATOM 0 H LEU A 48 5.913 2.605 -14.837 1.00 0.00 H new ATOM 0 HA LEU A 48 4.064 4.744 -14.475 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.962 3.135 -12.782 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.340 4.633 -12.117 1.00 0.00 H new ATOM 0 HG LEU A 48 3.015 3.799 -12.418 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.676 1.410 -12.981 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.447 2.282 -14.327 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.422 1.231 -13.274 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.149 2.079 -10.624 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.896 1.910 -10.920 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.245 3.440 -10.286 1.00 0.00 H new ATOM 762 N GLY A 49 7.271 5.429 -14.628 1.00 0.00 N ATOM 763 CA GLY A 49 8.260 6.509 -14.710 1.00 0.00 C ATOM 764 C GLY A 49 9.421 6.296 -13.730 1.00 0.00 C ATOM 765 O GLY A 49 10.098 7.253 -13.347 1.00 0.00 O ATOM 0 H GLY A 49 7.634 4.505 -14.862 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.649 6.569 -15.726 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.776 7.462 -14.498 1.00 0.00 H new ATOM 769 N GLN A 50 9.647 5.039 -13.328 1.00 0.00 N ATOM 770 CA GLN A 50 10.728 4.719 -12.391 1.00 0.00 C ATOM 771 C GLN A 50 11.521 3.504 -12.877 1.00 0.00 C ATOM 772 O GLN A 50 11.059 2.747 -13.732 1.00 0.00 O ATOM 773 CB GLN A 50 10.156 4.415 -11.003 1.00 0.00 C ATOM 774 CG GLN A 50 9.308 5.600 -10.531 1.00 0.00 C ATOM 775 CD GLN A 50 7.864 5.154 -10.309 1.00 0.00 C ATOM 776 OE1 GLN A 50 6.892 5.898 -10.763 1.00 0.00 O flip ATOM 777 NE2 GLN A 50 7.611 4.108 -9.709 1.00 0.00 N flip ATOM 0 H GLN A 50 9.100 4.234 -13.634 1.00 0.00 H new ATOM 0 HA GLN A 50 11.390 5.583 -12.334 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.549 3.510 -11.038 1.00 0.00 H new ATOM 0 HB3 GLN A 50 10.965 4.229 -10.297 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.718 6.006 -9.606 1.00 0.00 H new ATOM 0 HG3 GLN A 50 9.341 6.399 -11.272 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.371 3.527 -9.354 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.642 3.823 -9.567 1.00 0.00 H new ATOM 786 N ASN A 51 12.719 3.324 -12.318 1.00 0.00 N ATOM 787 CA ASN A 51 13.567 2.193 -12.702 1.00 0.00 C ATOM 788 C ASN A 51 14.339 1.645 -11.491 1.00 0.00 C ATOM 789 O ASN A 51 15.572 1.591 -11.499 1.00 0.00 O ATOM 790 CB ASN A 51 14.553 2.622 -13.796 1.00 0.00 C ATOM 791 CG ASN A 51 14.902 1.422 -14.673 1.00 0.00 C ATOM 792 OD1 ASN A 51 15.986 0.851 -14.550 1.00 0.00 O ATOM 793 ND2 ASN A 51 14.039 0.999 -15.559 1.00 0.00 N ATOM 0 H ASN A 51 13.120 3.937 -11.608 1.00 0.00 H new ATOM 0 HA ASN A 51 12.923 1.402 -13.085 1.00 0.00 H new ATOM 0 HB2 ASN A 51 14.115 3.414 -14.404 1.00 0.00 H new ATOM 0 HB3 ASN A 51 15.457 3.030 -13.344 1.00 0.00 H new ATOM 0 HD21 ASN A 51 14.264 0.197 -16.147 1.00 0.00 H new ATOM 0 HD22 ASN A 51 13.141 1.471 -15.662 1.00 0.00 H new ATOM 800 N PRO A 52 13.619 1.219 -10.440 1.00 0.00 N ATOM 801 CA PRO A 52 14.247 0.661 -9.223 1.00 0.00 C ATOM 802 C PRO A 52 14.670 -0.804 -9.402 1.00 0.00 C ATOM 803 O PRO A 52 14.804 -1.292 -10.526 1.00 0.00 O ATOM 804 CB PRO A 52 13.125 0.784 -8.196 1.00 0.00 C ATOM 805 CG PRO A 52 11.817 0.811 -8.972 1.00 0.00 C ATOM 806 CD PRO A 52 12.142 1.270 -10.396 1.00 0.00 C ATOM 0 HA PRO A 52 15.166 1.177 -8.946 1.00 0.00 H new ATOM 0 HB2 PRO A 52 13.144 -0.055 -7.501 1.00 0.00 H new ATOM 0 HB3 PRO A 52 13.241 1.692 -7.604 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.356 -0.177 -8.982 1.00 0.00 H new ATOM 0 HG3 PRO A 52 11.105 1.490 -8.502 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.694 0.614 -11.142 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.768 2.275 -10.590 1.00 0.00 H new ATOM 814 N THR A 53 14.872 -1.495 -8.277 1.00 0.00 N ATOM 815 CA THR A 53 15.273 -2.907 -8.305 1.00 0.00 C ATOM 816 C THR A 53 14.066 -3.786 -7.947 1.00 0.00 C ATOM 817 O THR A 53 13.018 -3.270 -7.553 1.00 0.00 O ATOM 818 CB THR A 53 16.421 -3.157 -7.303 1.00 0.00 C ATOM 819 OG1 THR A 53 15.889 -3.372 -6.002 1.00 0.00 O ATOM 820 CG2 THR A 53 17.364 -1.952 -7.267 1.00 0.00 C ATOM 0 H THR A 53 14.766 -1.104 -7.341 1.00 0.00 H new ATOM 0 HA THR A 53 15.624 -3.160 -9.306 1.00 0.00 H new ATOM 0 HB THR A 53 16.975 -4.039 -7.623 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.622 -3.532 -5.371 1.00 0.00 H new ATOM 0 HG21 THR A 53 18.169 -2.141 -6.557 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.786 -1.790 -8.259 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.810 -1.065 -6.960 1.00 0.00 H new ATOM 828 N PRO A 54 14.193 -5.118 -8.060 1.00 0.00 N ATOM 829 CA PRO A 54 13.083 -6.033 -7.721 1.00 0.00 C ATOM 830 C PRO A 54 12.849 -6.116 -6.212 1.00 0.00 C ATOM 831 O PRO A 54 11.731 -6.371 -5.761 1.00 0.00 O ATOM 832 CB PRO A 54 13.552 -7.360 -8.304 1.00 0.00 C ATOM 833 CG PRO A 54 15.066 -7.282 -8.417 1.00 0.00 C ATOM 834 CD PRO A 54 15.430 -5.797 -8.512 1.00 0.00 C ATOM 0 HA PRO A 54 12.122 -5.708 -8.119 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.255 -8.190 -7.663 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.100 -7.534 -9.281 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.542 -7.741 -7.551 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.416 -7.822 -9.297 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.281 -5.549 -7.877 1.00 0.00 H new ATOM 0 HD3 PRO A 54 15.698 -5.512 -9.529 1.00 0.00 H new ATOM 842 N GLU A 55 13.912 -5.863 -5.440 1.00 0.00 N ATOM 843 CA GLU A 55 13.811 -5.872 -3.981 1.00 0.00 C ATOM 844 C GLU A 55 13.223 -4.542 -3.498 1.00 0.00 C ATOM 845 O GLU A 55 12.468 -4.499 -2.526 1.00 0.00 O ATOM 846 CB GLU A 55 15.190 -6.075 -3.341 1.00 0.00 C ATOM 847 CG GLU A 55 15.771 -7.423 -3.782 1.00 0.00 C ATOM 848 CD GLU A 55 17.293 -7.386 -3.668 1.00 0.00 C ATOM 849 OE1 GLU A 55 17.928 -6.949 -4.616 1.00 0.00 O ATOM 850 OE2 GLU A 55 17.802 -7.797 -2.638 1.00 0.00 O ATOM 0 H GLU A 55 14.843 -5.652 -5.799 1.00 0.00 H new ATOM 0 HA GLU A 55 13.162 -6.696 -3.686 1.00 0.00 H new ATOM 0 HB2 GLU A 55 15.860 -5.266 -3.633 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.106 -6.042 -2.255 1.00 0.00 H new ATOM 0 HG2 GLU A 55 15.369 -8.224 -3.162 1.00 0.00 H new ATOM 0 HG3 GLU A 55 15.478 -7.638 -4.810 1.00 0.00 H new ATOM 857 N GLU A 56 13.579 -3.458 -4.205 1.00 0.00 N ATOM 858 CA GLU A 56 13.090 -2.120 -3.865 1.00 0.00 C ATOM 859 C GLU A 56 11.600 -1.988 -4.189 1.00 0.00 C ATOM 860 O GLU A 56 10.831 -1.450 -3.395 1.00 0.00 O ATOM 861 CB GLU A 56 13.870 -1.056 -4.647 1.00 0.00 C ATOM 862 CG GLU A 56 13.771 0.293 -3.929 1.00 0.00 C ATOM 863 CD GLU A 56 14.868 1.223 -4.441 1.00 0.00 C ATOM 864 OE1 GLU A 56 14.689 1.790 -5.507 1.00 0.00 O ATOM 865 OE2 GLU A 56 15.871 1.354 -3.758 1.00 0.00 O ATOM 0 H GLU A 56 14.202 -3.485 -5.012 1.00 0.00 H new ATOM 0 HA GLU A 56 13.237 -1.970 -2.795 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.915 -1.353 -4.740 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.472 -0.970 -5.658 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.791 0.738 -4.102 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.871 0.153 -2.853 1.00 0.00 H new ATOM 872 N LEU A 57 11.199 -2.485 -5.365 1.00 0.00 N ATOM 873 CA LEU A 57 9.796 -2.417 -5.778 1.00 0.00 C ATOM 874 C LEU A 57 8.929 -3.384 -4.961 1.00 0.00 C ATOM 875 O LEU A 57 7.731 -3.155 -4.788 1.00 0.00 O ATOM 876 CB LEU A 57 9.654 -2.741 -7.270 1.00 0.00 C ATOM 877 CG LEU A 57 9.987 -4.183 -7.679 1.00 0.00 C ATOM 878 CD1 LEU A 57 8.754 -5.076 -7.494 1.00 0.00 C ATOM 879 CD2 LEU A 57 10.412 -4.206 -9.151 1.00 0.00 C ATOM 0 H LEU A 57 11.819 -2.933 -6.039 1.00 0.00 H new ATOM 0 HA LEU A 57 9.451 -1.399 -5.596 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.629 -2.526 -7.573 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.300 -2.066 -7.831 1.00 0.00 H new ATOM 0 HG LEU A 57 10.798 -4.556 -7.053 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.997 -6.098 -7.786 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.447 -5.061 -6.448 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.939 -4.705 -8.116 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.649 -5.228 -9.445 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.598 -3.830 -9.771 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.291 -3.576 -9.286 1.00 0.00 H new ATOM 891 N GLN A 58 9.545 -4.467 -4.461 1.00 0.00 N ATOM 892 CA GLN A 58 8.813 -5.459 -3.666 1.00 0.00 C ATOM 893 C GLN A 58 8.227 -4.824 -2.401 1.00 0.00 C ATOM 894 O GLN A 58 7.076 -5.086 -2.046 1.00 0.00 O ATOM 895 CB GLN A 58 9.728 -6.622 -3.268 1.00 0.00 C ATOM 896 CG GLN A 58 8.894 -7.752 -2.649 1.00 0.00 C ATOM 897 CD GLN A 58 8.056 -8.436 -3.731 1.00 0.00 C ATOM 898 OE1 GLN A 58 8.567 -9.260 -4.490 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.786 -8.141 -3.848 1.00 0.00 N ATOM 0 H GLN A 58 10.535 -4.674 -4.592 1.00 0.00 H new ATOM 0 HA GLN A 58 8.000 -5.837 -4.285 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.264 -6.991 -4.143 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.478 -6.279 -2.555 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.550 -8.480 -2.171 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.243 -7.351 -1.872 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.361 -7.459 -3.220 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.221 -8.593 -4.567 1.00 0.00 H new ATOM 908 N GLU A 59 9.023 -3.981 -1.727 1.00 0.00 N ATOM 909 CA GLU A 59 8.552 -3.313 -0.506 1.00 0.00 C ATOM 910 C GLU A 59 7.358 -2.402 -0.817 1.00 0.00 C ATOM 911 O GLU A 59 6.474 -2.216 0.021 1.00 0.00 O ATOM 912 CB GLU A 59 9.677 -2.495 0.153 1.00 0.00 C ATOM 913 CG GLU A 59 10.004 -1.250 -0.682 1.00 0.00 C ATOM 914 CD GLU A 59 9.527 0.001 0.052 1.00 0.00 C ATOM 915 OE1 GLU A 59 10.253 0.475 0.911 1.00 0.00 O ATOM 916 OE2 GLU A 59 8.443 0.469 -0.257 1.00 0.00 O ATOM 0 H GLU A 59 9.978 -3.749 -2.000 1.00 0.00 H new ATOM 0 HA GLU A 59 8.237 -4.087 0.193 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.376 -2.197 1.157 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.569 -3.113 0.258 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.078 -1.192 -0.860 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.522 -1.317 -1.657 1.00 0.00 H new ATOM 923 N MET A 60 7.333 -1.854 -2.041 1.00 0.00 N ATOM 924 CA MET A 60 6.231 -0.986 -2.462 1.00 0.00 C ATOM 925 C MET A 60 4.961 -1.817 -2.613 1.00 0.00 C ATOM 926 O MET A 60 3.875 -1.397 -2.210 1.00 0.00 O ATOM 927 CB MET A 60 6.542 -0.307 -3.802 1.00 0.00 C ATOM 928 CG MET A 60 7.870 0.445 -3.706 1.00 0.00 C ATOM 929 SD MET A 60 8.010 1.607 -5.089 1.00 0.00 S ATOM 930 CE MET A 60 6.877 2.868 -4.453 1.00 0.00 C ATOM 0 H MET A 60 8.055 -1.996 -2.747 1.00 0.00 H new ATOM 0 HA MET A 60 6.095 -0.216 -1.703 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.593 -1.053 -4.595 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.741 0.384 -4.065 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.928 0.982 -2.759 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.701 -0.260 -3.724 1.00 0.00 H new ATOM 0 HE1 MET A 60 6.071 3.028 -5.169 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.458 2.535 -3.504 1.00 0.00 H new ATOM 0 HE3 MET A 60 7.419 3.802 -4.302 1.00 0.00 H new ATOM 940 N ILE A 61 5.128 -3.012 -3.187 1.00 0.00 N ATOM 941 CA ILE A 61 4.007 -3.933 -3.383 1.00 0.00 C ATOM 942 C ILE A 61 3.458 -4.379 -2.030 1.00 0.00 C ATOM 943 O ILE A 61 2.257 -4.337 -1.798 1.00 0.00 O ATOM 944 CB ILE A 61 4.451 -5.171 -4.176 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.893 -4.751 -5.581 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.287 -6.163 -4.287 1.00 0.00 C ATOM 947 CD1 ILE A 61 5.922 -5.750 -6.110 1.00 0.00 C ATOM 0 H ILE A 61 6.025 -3.362 -3.523 1.00 0.00 H new ATOM 0 HA ILE A 61 3.232 -3.410 -3.944 1.00 0.00 H new ATOM 0 HB ILE A 61 5.284 -5.646 -3.657 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.032 -4.711 -6.248 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.322 -3.749 -5.555 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.608 -7.039 -4.851 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.973 -6.469 -3.289 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.451 -5.687 -4.801 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.237 -5.452 -7.110 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.787 -5.767 -5.447 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.476 -6.744 -6.151 1.00 0.00 H new ATOM 959 N ASP A 62 4.358 -4.802 -1.138 1.00 0.00 N ATOM 960 CA ASP A 62 3.954 -5.250 0.197 1.00 0.00 C ATOM 961 C ASP A 62 3.183 -4.149 0.936 1.00 0.00 C ATOM 962 O ASP A 62 2.270 -4.434 1.713 1.00 0.00 O ATOM 963 CB ASP A 62 5.182 -5.644 1.025 1.00 0.00 C ATOM 964 CG ASP A 62 4.771 -6.620 2.123 1.00 0.00 C ATOM 965 OD1 ASP A 62 4.743 -7.811 1.851 1.00 0.00 O ATOM 966 OD2 ASP A 62 4.490 -6.165 3.220 1.00 0.00 O ATOM 0 H ASP A 62 5.362 -4.844 -1.314 1.00 0.00 H new ATOM 0 HA ASP A 62 3.305 -6.116 0.072 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.935 -6.101 0.382 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.636 -4.756 1.466 1.00 0.00 H new ATOM 971 N GLU A 63 3.563 -2.891 0.685 1.00 0.00 N ATOM 972 CA GLU A 63 2.904 -1.752 1.332 1.00 0.00 C ATOM 973 C GLU A 63 1.520 -1.499 0.729 1.00 0.00 C ATOM 974 O GLU A 63 0.530 -1.392 1.453 1.00 0.00 O ATOM 975 CB GLU A 63 3.747 -0.483 1.177 1.00 0.00 C ATOM 976 CG GLU A 63 4.910 -0.512 2.174 1.00 0.00 C ATOM 977 CD GLU A 63 4.493 0.170 3.474 1.00 0.00 C ATOM 978 OE1 GLU A 63 3.911 -0.500 4.313 1.00 0.00 O ATOM 979 OE2 GLU A 63 4.765 1.350 3.614 1.00 0.00 O ATOM 0 H GLU A 63 4.316 -2.638 0.045 1.00 0.00 H new ATOM 0 HA GLU A 63 2.796 -1.997 2.389 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.130 -0.411 0.159 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.130 0.399 1.349 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.206 -1.542 2.372 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.778 -0.007 1.750 1.00 0.00 H new ATOM 986 N VAL A 64 1.466 -1.396 -0.606 1.00 0.00 N ATOM 987 CA VAL A 64 0.196 -1.142 -1.299 1.00 0.00 C ATOM 988 C VAL A 64 -0.744 -2.353 -1.202 1.00 0.00 C ATOM 989 O VAL A 64 -1.957 -2.191 -1.048 1.00 0.00 O ATOM 990 CB VAL A 64 0.439 -0.793 -2.780 1.00 0.00 C ATOM 991 CG1 VAL A 64 1.091 -1.971 -3.510 1.00 0.00 C ATOM 992 CG2 VAL A 64 -0.897 -0.459 -3.449 1.00 0.00 C ATOM 0 H VAL A 64 2.275 -1.483 -1.221 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.278 -0.293 -0.807 1.00 0.00 H new ATOM 0 HB VAL A 64 1.107 0.066 -2.833 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.255 -1.706 -4.555 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.046 -2.206 -3.041 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.436 -2.841 -3.455 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.727 -0.212 -4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.562 -1.320 -3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.354 0.393 -2.945 1.00 0.00 H new ATOM 1002 N ASP A 65 -0.175 -3.560 -1.287 1.00 0.00 N ATOM 1003 CA ASP A 65 -0.973 -4.782 -1.200 1.00 0.00 C ATOM 1004 C ASP A 65 -1.318 -5.063 0.259 1.00 0.00 C ATOM 1005 O ASP A 65 -0.485 -5.547 1.029 1.00 0.00 O ATOM 1006 CB ASP A 65 -0.202 -5.978 -1.781 1.00 0.00 C ATOM 1007 CG ASP A 65 -1.074 -6.725 -2.784 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -1.781 -7.628 -2.373 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -1.016 -6.383 -3.953 1.00 0.00 O ATOM 0 H ASP A 65 0.825 -3.714 -1.415 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.887 -4.641 -1.777 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.710 -5.631 -2.267 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.100 -6.650 -0.978 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.559 -4.742 0.629 1.00 0.00 N ATOM 1015 CA GLU A 66 -3.025 -4.953 2.004 1.00 0.00 C ATOM 1016 C GLU A 66 -2.946 -6.434 2.370 1.00 0.00 C ATOM 1017 O GLU A 66 -2.557 -6.797 3.483 1.00 0.00 O ATOM 1018 CB GLU A 66 -4.476 -4.486 2.169 1.00 0.00 C ATOM 1019 CG GLU A 66 -4.638 -3.065 1.624 1.00 0.00 C ATOM 1020 CD GLU A 66 -5.981 -2.497 2.074 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -6.039 -1.955 3.166 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -6.934 -2.614 1.319 1.00 0.00 O ATOM 0 H GLU A 66 -3.256 -4.338 0.003 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.381 -4.371 2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.146 -5.164 1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.758 -4.514 3.222 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.826 -2.432 1.981 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.581 -3.073 0.536 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.325 -7.283 1.412 1.00 0.00 N ATOM 1030 CA ASP A 67 -3.305 -8.731 1.621 1.00 0.00 C ATOM 1031 C ASP A 67 -1.916 -9.317 1.328 1.00 0.00 C ATOM 1032 O ASP A 67 -1.464 -10.228 2.025 1.00 0.00 O ATOM 1033 CB ASP A 67 -4.359 -9.420 0.736 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.201 -8.988 -0.722 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -4.666 -7.912 -1.061 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -3.618 -9.739 -1.477 1.00 0.00 O ATOM 0 H ASP A 67 -3.648 -6.994 0.489 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.542 -8.916 2.669 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.256 -10.502 0.814 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.359 -9.169 1.089 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.247 -8.790 0.295 1.00 0.00 N ATOM 1042 CA GLY A 68 0.087 -9.272 -0.075 1.00 0.00 C ATOM 1043 C GLY A 68 0.001 -10.653 -0.718 1.00 0.00 C ATOM 1044 O GLY A 68 0.724 -11.577 -0.339 1.00 0.00 O ATOM 0 H GLY A 68 -1.604 -8.037 -0.294 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.553 -8.571 -0.767 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.722 -9.316 0.810 1.00 0.00 H new ATOM 1048 N SER A 69 -0.906 -10.780 -1.689 1.00 0.00 N ATOM 1049 CA SER A 69 -1.111 -12.053 -2.388 1.00 0.00 C ATOM 1050 C SER A 69 -0.137 -12.244 -3.563 1.00 0.00 C ATOM 1051 O SER A 69 -0.241 -13.228 -4.300 1.00 0.00 O ATOM 1052 CB SER A 69 -2.543 -12.127 -2.928 1.00 0.00 C ATOM 1053 OG SER A 69 -2.790 -11.004 -3.771 1.00 0.00 O ATOM 0 H SER A 69 -1.508 -10.021 -2.009 1.00 0.00 H new ATOM 0 HA SER A 69 -0.927 -12.844 -1.661 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.686 -13.053 -3.486 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.255 -12.139 -2.102 1.00 0.00 H new ATOM 0 HG SER A 69 -3.140 -10.263 -3.234 1.00 0.00 H new ATOM 1059 N GLY A 70 0.796 -11.299 -3.753 1.00 0.00 N ATOM 1060 CA GLY A 70 1.745 -11.395 -4.863 1.00 0.00 C ATOM 1061 C GLY A 70 1.075 -10.998 -6.183 1.00 0.00 C ATOM 1062 O GLY A 70 1.562 -11.333 -7.265 1.00 0.00 O ATOM 0 H GLY A 70 0.910 -10.475 -3.162 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.600 -10.747 -4.674 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.127 -12.413 -4.935 1.00 0.00 H new ATOM 1066 N THR A 71 -0.050 -10.275 -6.077 1.00 0.00 N ATOM 1067 CA THR A 71 -0.788 -9.826 -7.256 1.00 0.00 C ATOM 1068 C THR A 71 -1.339 -8.423 -7.012 1.00 0.00 C ATOM 1069 O THR A 71 -1.901 -8.141 -5.950 1.00 0.00 O ATOM 1070 CB THR A 71 -1.952 -10.777 -7.578 1.00 0.00 C ATOM 1071 OG1 THR A 71 -2.960 -10.655 -6.582 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.451 -12.222 -7.615 1.00 0.00 C ATOM 0 H THR A 71 -0.463 -9.992 -5.188 1.00 0.00 H new ATOM 0 HA THR A 71 -0.102 -9.818 -8.103 1.00 0.00 H new ATOM 0 HB THR A 71 -2.365 -10.513 -8.551 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.574 -10.842 -5.701 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.282 -12.889 -7.844 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.684 -12.322 -8.383 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.030 -12.486 -6.645 1.00 0.00 H new ATOM 1080 N VAL A 72 -1.163 -7.546 -7.998 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.634 -6.169 -7.871 1.00 0.00 C ATOM 1082 C VAL A 72 -2.969 -5.975 -8.585 1.00 0.00 C ATOM 1083 O VAL A 72 -3.068 -6.132 -9.804 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.621 -5.181 -8.459 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -0.932 -3.770 -7.952 1.00 0.00 C ATOM 1086 CG2 VAL A 72 0.799 -5.566 -8.031 1.00 0.00 C ATOM 0 H VAL A 72 -0.704 -7.760 -8.883 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.758 -5.975 -6.806 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.689 -5.209 -9.546 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.212 -3.066 -8.370 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.938 -3.486 -8.261 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.868 -3.752 -6.864 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.511 -4.858 -8.454 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.869 -5.545 -6.943 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.028 -6.569 -8.391 1.00 0.00 H new ATOM 1096 N ASP A 73 -3.982 -5.596 -7.808 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.309 -5.336 -8.361 1.00 0.00 C ATOM 1098 C ASP A 73 -5.352 -3.898 -8.866 1.00 0.00 C ATOM 1099 O ASP A 73 -4.452 -3.114 -8.574 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.388 -5.525 -7.290 1.00 0.00 C ATOM 1101 CG ASP A 73 -6.622 -7.015 -7.054 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -5.825 -7.619 -6.352 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -7.595 -7.530 -7.579 1.00 0.00 O ATOM 0 H ASP A 73 -3.910 -5.463 -6.799 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.501 -6.036 -9.175 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.081 -5.044 -6.362 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.315 -5.047 -7.606 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.392 -3.550 -9.628 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.498 -2.185 -10.153 1.00 0.00 C ATOM 1110 C PHE A 74 -6.514 -1.159 -9.014 1.00 0.00 C ATOM 1111 O PHE A 74 -5.966 -0.064 -9.150 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.752 -2.011 -11.015 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.593 -0.786 -11.881 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -6.418 -0.605 -12.620 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.615 0.167 -11.943 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -6.268 0.530 -13.423 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -8.463 1.302 -12.746 1.00 0.00 C ATOM 1118 CZ PHE A 74 -7.290 1.485 -13.485 1.00 0.00 C ATOM 0 H PHE A 74 -7.154 -4.175 -9.890 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.621 -2.013 -10.777 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.906 -2.893 -11.637 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.633 -1.911 -10.381 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.629 -1.341 -12.570 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.521 0.027 -11.371 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.363 0.670 -13.996 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.252 2.038 -12.795 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.172 2.363 -14.103 1.00 0.00 H new ATOM 1128 N ASP A 75 -7.130 -1.532 -7.886 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.187 -0.639 -6.724 1.00 0.00 C ATOM 1130 C ASP A 75 -5.786 -0.456 -6.137 1.00 0.00 C ATOM 1131 O ASP A 75 -5.392 0.654 -5.776 1.00 0.00 O ATOM 1132 CB ASP A 75 -8.118 -1.209 -5.647 1.00 0.00 C ATOM 1133 CG ASP A 75 -9.568 -1.079 -6.106 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -10.153 -0.035 -5.870 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -10.071 -2.027 -6.690 1.00 0.00 O ATOM 0 H ASP A 75 -7.590 -2.433 -7.754 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.576 0.325 -7.053 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.877 -2.255 -5.460 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.974 -0.676 -4.707 1.00 0.00 H new ATOM 1140 N GLU A 76 -5.033 -1.561 -6.071 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.662 -1.525 -5.552 1.00 0.00 C ATOM 1142 C GLU A 76 -2.701 -0.949 -6.609 1.00 0.00 C ATOM 1143 O GLU A 76 -1.602 -0.495 -6.286 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.204 -2.940 -5.159 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.231 -3.569 -4.203 1.00 0.00 C ATOM 1146 CD GLU A 76 -3.932 -5.058 -3.990 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -3.792 -5.769 -4.973 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -3.861 -5.468 -2.843 1.00 0.00 O ATOM 0 H GLU A 76 -5.348 -2.484 -6.368 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.647 -0.884 -4.670 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.096 -3.558 -6.050 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.226 -2.896 -4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.211 -3.048 -3.246 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.235 -3.449 -4.610 1.00 0.00 H new ATOM 1155 N PHE A 77 -3.138 -0.970 -7.877 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.334 -0.455 -8.989 1.00 0.00 C ATOM 1157 C PHE A 77 -2.310 1.075 -8.969 1.00 0.00 C ATOM 1158 O PHE A 77 -1.243 1.692 -8.995 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.936 -0.927 -10.323 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.870 -1.199 -11.366 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.530 -1.443 -11.011 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -2.245 -1.213 -12.712 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.419 -1.698 -12.009 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -1.296 -1.469 -13.702 1.00 0.00 C ATOM 1165 CZ PHE A 77 0.034 -1.711 -13.354 1.00 0.00 C ATOM 0 H PHE A 77 -4.047 -1.340 -8.156 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.316 -0.831 -8.884 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.519 -1.833 -10.157 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.624 -0.169 -10.698 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.235 -1.434 -9.972 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.272 -1.025 -12.987 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.448 -1.885 -11.740 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.591 -1.480 -14.741 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.766 -1.908 -14.123 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.505 1.675 -8.928 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.632 3.137 -8.908 1.00 0.00 C ATOM 1177 C LEU A 78 -3.157 3.714 -7.570 1.00 0.00 C ATOM 1178 O LEU A 78 -2.680 4.849 -7.511 1.00 0.00 O ATOM 1179 CB LEU A 78 -5.089 3.553 -9.149 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.501 3.706 -10.622 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -4.951 2.538 -11.445 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -7.028 3.721 -10.722 1.00 0.00 C ATOM 0 H LEU A 78 -4.393 1.174 -8.908 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.004 3.533 -9.706 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.741 2.814 -8.683 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.266 4.501 -8.640 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.095 4.640 -11.011 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.248 2.655 -12.487 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.863 2.525 -11.377 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.350 1.600 -11.058 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.323 3.829 -11.766 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.428 2.787 -10.327 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.422 4.557 -10.145 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.285 2.920 -6.499 1.00 0.00 N ATOM 1195 CA VAL A 79 -2.855 3.361 -5.168 1.00 0.00 C ATOM 1196 C VAL A 79 -1.345 3.624 -5.166 1.00 0.00 C ATOM 1197 O VAL A 79 -0.884 4.645 -4.659 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.214 2.298 -4.114 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.181 2.293 -2.984 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -4.596 2.608 -3.532 1.00 0.00 C ATOM 0 H VAL A 79 -3.678 1.979 -6.528 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.373 4.287 -4.918 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.220 1.318 -4.591 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.451 1.536 -2.248 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.196 2.068 -3.393 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.160 3.272 -2.506 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.853 1.857 -2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.582 3.593 -3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.338 2.595 -4.330 1.00 0.00 H new ATOM 1210 N MET A 80 -0.588 2.685 -5.742 1.00 0.00 N ATOM 1211 CA MET A 80 0.876 2.807 -5.819 1.00 0.00 C ATOM 1212 C MET A 80 1.309 4.193 -6.326 1.00 0.00 C ATOM 1213 O MET A 80 2.393 4.670 -5.984 1.00 0.00 O ATOM 1214 CB MET A 80 1.453 1.740 -6.755 1.00 0.00 C ATOM 1215 CG MET A 80 2.616 1.024 -6.062 1.00 0.00 C ATOM 1216 SD MET A 80 3.781 0.418 -7.308 1.00 0.00 S ATOM 1217 CE MET A 80 2.974 -1.172 -7.622 1.00 0.00 C ATOM 0 H MET A 80 -0.961 1.833 -6.161 1.00 0.00 H new ATOM 0 HA MET A 80 1.260 2.668 -4.808 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.679 1.021 -7.025 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.796 2.201 -7.681 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.121 1.706 -5.378 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.241 0.193 -5.465 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.687 -1.857 -8.081 1.00 0.00 H new ATOM 0 HE2 MET A 80 2.620 -1.593 -6.681 1.00 0.00 H new ATOM 0 HE3 MET A 80 2.129 -1.025 -8.294 1.00 0.00 H new ATOM 1227 N MET A 81 0.453 4.840 -7.135 1.00 0.00 N ATOM 1228 CA MET A 81 0.770 6.172 -7.664 1.00 0.00 C ATOM 1229 C MET A 81 0.900 7.176 -6.516 1.00 0.00 C ATOM 1230 O MET A 81 1.930 7.836 -6.368 1.00 0.00 O ATOM 1231 CB MET A 81 -0.320 6.646 -8.634 1.00 0.00 C ATOM 1232 CG MET A 81 0.060 8.012 -9.219 1.00 0.00 C ATOM 1233 SD MET A 81 0.016 7.935 -11.028 1.00 0.00 S ATOM 1234 CE MET A 81 1.578 7.050 -11.262 1.00 0.00 C ATOM 0 H MET A 81 -0.449 4.468 -7.432 1.00 0.00 H new ATOM 0 HA MET A 81 1.716 6.107 -8.202 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.446 5.919 -9.437 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.276 6.716 -8.115 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.630 8.776 -8.861 1.00 0.00 H new ATOM 0 HG3 MET A 81 1.056 8.298 -8.882 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.643 6.691 -12.289 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.411 7.723 -11.060 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.622 6.202 -10.578 1.00 0.00 H new ATOM 1244 N VAL A 82 -0.154 7.272 -5.700 1.00 0.00 N ATOM 1245 CA VAL A 82 -0.148 8.188 -4.553 1.00 0.00 C ATOM 1246 C VAL A 82 0.846 7.715 -3.486 1.00 0.00 C ATOM 1247 O VAL A 82 1.384 8.522 -2.728 1.00 0.00 O ATOM 1248 CB VAL A 82 -1.543 8.305 -3.922 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -2.488 9.011 -4.896 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -2.100 6.914 -3.600 1.00 0.00 C ATOM 0 H VAL A 82 -1.014 6.734 -5.809 1.00 0.00 H new ATOM 0 HA VAL A 82 0.154 9.167 -4.925 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.463 8.880 -3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.478 9.094 -4.447 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.105 10.008 -5.116 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.555 8.436 -5.819 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.089 7.013 -3.153 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.173 6.330 -4.517 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.435 6.409 -2.900 1.00 0.00 H new ATOM 1260 N ARG A 83 1.085 6.397 -3.446 1.00 0.00 N ATOM 1261 CA ARG A 83 2.025 5.815 -2.479 1.00 0.00 C ATOM 1262 C ARG A 83 3.434 6.400 -2.655 1.00 0.00 C ATOM 1263 O ARG A 83 4.237 6.392 -1.721 1.00 0.00 O ATOM 1264 CB ARG A 83 2.091 4.292 -2.644 1.00 0.00 C ATOM 1265 CG ARG A 83 0.830 3.653 -2.054 1.00 0.00 C ATOM 1266 CD ARG A 83 1.090 3.256 -0.599 1.00 0.00 C ATOM 1267 NE ARG A 83 -0.134 2.752 0.030 1.00 0.00 N ATOM 1268 CZ ARG A 83 -0.105 2.080 1.191 1.00 0.00 C ATOM 1269 NH1 ARG A 83 1.031 1.865 1.815 1.00 0.00 N ATOM 1270 NH2 ARG A 83 -1.222 1.638 1.709 1.00 0.00 N ATOM 0 H ARG A 83 0.644 5.718 -4.067 1.00 0.00 H new ATOM 0 HA ARG A 83 1.662 6.060 -1.481 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.181 4.035 -3.699 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.977 3.900 -2.144 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.004 4.353 -2.107 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.548 2.776 -2.636 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.866 2.492 -0.559 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.462 4.117 -0.043 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.031 2.916 -0.427 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.905 2.210 1.417 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.039 1.353 2.697 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.107 1.805 1.231 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.208 1.126 2.591 1.00 0.00 H new