USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 632 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 109:sc= 1.01 USER MOD Single : A 16 SER OG : rot -91:sc= 0.131 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.139 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0.00103 USER MOD Single : A 48 ASN : amide:sc= -0.165 K(o=-0.17,f=-1) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 153:sc= -2.77! USER MOD Single : A 65 THR OG1 : rot 94:sc= 0.975 USER MOD Single : A 67 MET CE :methyl -110:sc= -0.812 (180deg=-4.21!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 155:sc= -0.122 (180deg=-0.913) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 95 N GLY A 7 -18.852 -11.162 -20.345 1.00 0.00 N ATOM 96 CA GLY A 7 -19.584 -9.920 -20.161 1.00 0.00 C ATOM 97 C GLY A 7 -20.395 -9.948 -18.864 1.00 0.00 C ATOM 98 O GLY A 7 -20.247 -9.070 -18.015 1.00 0.00 O ATOM 0 HA2 GLY A 7 -18.887 -9.083 -20.140 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.251 -9.758 -21.008 1.00 0.00 H new ATOM 102 N TYR A 8 -21.235 -10.966 -18.751 1.00 0.00 N ATOM 103 CA TYR A 8 -22.070 -11.121 -17.572 1.00 0.00 C ATOM 104 C TYR A 8 -21.244 -10.976 -16.293 1.00 0.00 C ATOM 105 O TYR A 8 -21.613 -10.221 -15.394 1.00 0.00 O ATOM 106 CB TYR A 8 -22.638 -12.540 -17.641 1.00 0.00 C ATOM 107 CG TYR A 8 -24.107 -12.603 -18.063 1.00 0.00 C ATOM 108 CD1 TYR A 8 -25.100 -12.294 -17.156 1.00 0.00 C ATOM 109 CD2 TYR A 8 -24.439 -12.968 -19.352 1.00 0.00 C ATOM 110 CE1 TYR A 8 -26.483 -12.354 -17.554 1.00 0.00 C ATOM 111 CE2 TYR A 8 -25.822 -13.027 -19.750 1.00 0.00 C ATOM 112 CZ TYR A 8 -26.775 -12.717 -18.832 1.00 0.00 C ATOM 113 OH TYR A 8 -28.081 -12.773 -19.207 1.00 0.00 O ATOM 0 H TYR A 8 -21.355 -11.692 -19.457 1.00 0.00 H new ATOM 0 HA TYR A 8 -22.850 -10.360 -17.551 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -22.044 -13.124 -18.343 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -22.531 -13.011 -16.664 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -24.840 -12.007 -16.148 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -23.662 -13.209 -20.062 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -27.270 -12.116 -16.854 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -26.096 -13.311 -20.755 1.00 0.00 H new ATOM 0 HH TYR A 8 -28.140 -13.045 -20.147 1.00 0.00 H new ATOM 123 N ALA A 9 -20.143 -11.711 -16.251 1.00 0.00 N ATOM 124 CA ALA A 9 -19.261 -11.673 -15.097 1.00 0.00 C ATOM 125 C ALA A 9 -18.803 -10.233 -14.856 1.00 0.00 C ATOM 126 O ALA A 9 -18.632 -9.816 -13.712 1.00 0.00 O ATOM 127 CB ALA A 9 -18.088 -12.629 -15.319 1.00 0.00 C ATOM 0 H ALA A 9 -19.841 -12.337 -16.998 1.00 0.00 H new ATOM 0 HA ALA A 9 -19.787 -12.005 -14.202 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -17.426 -12.600 -14.453 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -18.465 -13.643 -15.454 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -17.535 -12.326 -16.208 1.00 0.00 H new ATOM 133 N ALA A 10 -18.618 -9.514 -15.954 1.00 0.00 N ATOM 134 CA ALA A 10 -18.183 -8.130 -15.877 1.00 0.00 C ATOM 135 C ALA A 10 -19.324 -7.271 -15.327 1.00 0.00 C ATOM 136 O ALA A 10 -19.083 -6.254 -14.679 1.00 0.00 O ATOM 137 CB ALA A 10 -17.716 -7.664 -17.257 1.00 0.00 C ATOM 0 H ALA A 10 -18.761 -9.864 -16.901 1.00 0.00 H new ATOM 0 HA ALA A 10 -17.338 -8.031 -15.196 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -17.390 -6.626 -17.199 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -16.886 -8.287 -17.590 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -18.539 -7.747 -17.967 1.00 0.00 H new ATOM 143 N LEU A 11 -20.542 -7.713 -15.605 1.00 0.00 N ATOM 144 CA LEU A 11 -21.721 -6.998 -15.146 1.00 0.00 C ATOM 145 C LEU A 11 -21.842 -7.144 -13.628 1.00 0.00 C ATOM 146 O LEU A 11 -21.700 -6.168 -12.894 1.00 0.00 O ATOM 147 CB LEU A 11 -22.961 -7.464 -15.910 1.00 0.00 C ATOM 148 CG LEU A 11 -23.548 -6.466 -16.910 1.00 0.00 C ATOM 149 CD1 LEU A 11 -23.813 -7.134 -18.261 1.00 0.00 C ATOM 150 CD2 LEU A 11 -24.803 -5.797 -16.346 1.00 0.00 C ATOM 0 H LEU A 11 -20.738 -8.558 -16.142 1.00 0.00 H new ATOM 0 HA LEU A 11 -21.627 -5.933 -15.357 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -22.710 -8.380 -16.446 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -23.735 -7.720 -15.186 1.00 0.00 H new ATOM 0 HG LEU A 11 -22.812 -5.680 -17.078 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -24.230 -6.402 -18.953 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -22.878 -7.523 -18.664 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -24.520 -7.953 -18.129 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -25.200 -5.093 -17.077 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -25.554 -6.557 -16.129 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -24.551 -5.265 -15.429 1.00 0.00 H new ATOM 162 N VAL A 12 -22.103 -8.371 -13.203 1.00 0.00 N ATOM 163 CA VAL A 12 -22.245 -8.658 -11.786 1.00 0.00 C ATOM 164 C VAL A 12 -21.047 -8.081 -11.030 1.00 0.00 C ATOM 165 O VAL A 12 -21.210 -7.458 -9.982 1.00 0.00 O ATOM 166 CB VAL A 12 -22.419 -10.163 -11.571 1.00 0.00 C ATOM 167 CG1 VAL A 12 -23.712 -10.664 -12.218 1.00 0.00 C ATOM 168 CG2 VAL A 12 -21.207 -10.935 -12.097 1.00 0.00 C ATOM 0 H VAL A 12 -22.220 -9.178 -13.815 1.00 0.00 H new ATOM 0 HA VAL A 12 -23.141 -8.181 -11.388 1.00 0.00 H new ATOM 0 HB VAL A 12 -22.491 -10.342 -10.498 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -23.811 -11.736 -12.050 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -24.564 -10.147 -11.776 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -23.683 -10.465 -13.289 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -21.356 -12.002 -11.932 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -21.090 -10.746 -13.164 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -20.311 -10.608 -11.570 1.00 0.00 H new ATOM 178 N THR A 13 -19.869 -8.308 -11.592 1.00 0.00 N ATOM 179 CA THR A 13 -18.643 -7.818 -10.985 1.00 0.00 C ATOM 180 C THR A 13 -18.739 -6.312 -10.730 1.00 0.00 C ATOM 181 O THR A 13 -18.805 -5.876 -9.582 1.00 0.00 O ATOM 182 CB THR A 13 -17.476 -8.207 -11.895 1.00 0.00 C ATOM 183 OG1 THR A 13 -17.338 -9.612 -11.701 1.00 0.00 O ATOM 184 CG2 THR A 13 -16.142 -7.632 -11.414 1.00 0.00 C ATOM 0 H THR A 13 -19.737 -8.825 -12.461 1.00 0.00 H new ATOM 0 HA THR A 13 -18.477 -8.272 -10.008 1.00 0.00 H new ATOM 0 HB THR A 13 -17.676 -7.862 -12.909 1.00 0.00 H new ATOM 0 HG1 THR A 13 -17.643 -10.085 -12.504 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.347 -7.938 -12.095 1.00 0.00 H new ATOM 0 HG22 THR A 13 -16.202 -6.544 -11.392 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.925 -8.004 -10.413 1.00 0.00 H new ATOM 192 N PHE A 14 -18.743 -5.559 -11.820 1.00 0.00 N ATOM 193 CA PHE A 14 -18.830 -4.112 -11.729 1.00 0.00 C ATOM 194 C PHE A 14 -19.906 -3.689 -10.727 1.00 0.00 C ATOM 195 O PHE A 14 -19.723 -2.726 -9.983 1.00 0.00 O ATOM 196 CB PHE A 14 -19.214 -3.598 -13.118 1.00 0.00 C ATOM 197 CG PHE A 14 -18.811 -2.145 -13.378 1.00 0.00 C ATOM 198 CD1 PHE A 14 -17.495 -1.803 -13.425 1.00 0.00 C ATOM 199 CD2 PHE A 14 -19.768 -1.197 -13.562 1.00 0.00 C ATOM 200 CE1 PHE A 14 -17.121 -0.454 -13.667 1.00 0.00 C ATOM 201 CE2 PHE A 14 -19.393 0.152 -13.804 1.00 0.00 C ATOM 202 CZ PHE A 14 -18.078 0.494 -13.851 1.00 0.00 C ATOM 0 H PHE A 14 -18.687 -5.924 -12.771 1.00 0.00 H new ATOM 0 HA PHE A 14 -17.877 -3.703 -11.393 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -18.748 -4.234 -13.871 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -20.293 -3.693 -13.244 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -16.735 -2.556 -13.278 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -20.812 -1.469 -13.524 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -16.077 -0.182 -13.705 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -20.153 0.906 -13.951 1.00 0.00 H new ATOM 0 HZ PHE A 14 -17.793 1.520 -14.035 1.00 0.00 H new ATOM 212 N GLY A 15 -21.004 -4.429 -10.739 1.00 0.00 N ATOM 213 CA GLY A 15 -22.110 -4.143 -9.840 1.00 0.00 C ATOM 214 C GLY A 15 -21.683 -4.297 -8.379 1.00 0.00 C ATOM 215 O GLY A 15 -21.381 -3.311 -7.709 1.00 0.00 O ATOM 0 H GLY A 15 -21.152 -5.227 -11.357 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -22.470 -3.129 -10.012 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -22.940 -4.817 -10.053 1.00 0.00 H new ATOM 219 N SER A 16 -21.670 -5.543 -7.928 1.00 0.00 N ATOM 220 CA SER A 16 -21.285 -5.839 -6.559 1.00 0.00 C ATOM 221 C SER A 16 -20.101 -4.962 -6.147 1.00 0.00 C ATOM 222 O SER A 16 -20.133 -4.325 -5.095 1.00 0.00 O ATOM 223 CB SER A 16 -20.932 -7.319 -6.394 1.00 0.00 C ATOM 224 OG SER A 16 -21.148 -7.774 -5.061 1.00 0.00 O ATOM 0 H SER A 16 -21.920 -6.359 -8.487 1.00 0.00 H new ATOM 0 HA SER A 16 -22.133 -5.621 -5.910 1.00 0.00 H new ATOM 0 HB2 SER A 16 -21.533 -7.914 -7.082 1.00 0.00 H new ATOM 0 HB3 SER A 16 -19.888 -7.475 -6.666 1.00 0.00 H new ATOM 0 HG SER A 16 -20.323 -7.670 -4.542 1.00 0.00 H new ATOM 230 N ILE A 17 -19.085 -4.958 -6.997 1.00 0.00 N ATOM 231 CA ILE A 17 -17.893 -4.169 -6.734 1.00 0.00 C ATOM 232 C ILE A 17 -18.303 -2.749 -6.340 1.00 0.00 C ATOM 233 O ILE A 17 -17.883 -2.243 -5.301 1.00 0.00 O ATOM 234 CB ILE A 17 -16.939 -4.225 -7.929 1.00 0.00 C ATOM 235 CG1 ILE A 17 -16.446 -5.653 -8.170 1.00 0.00 C ATOM 236 CG2 ILE A 17 -15.782 -3.241 -7.753 1.00 0.00 C ATOM 237 CD1 ILE A 17 -15.226 -5.966 -7.302 1.00 0.00 C ATOM 0 H ILE A 17 -19.062 -5.488 -7.868 1.00 0.00 H new ATOM 0 HA ILE A 17 -17.338 -4.585 -5.893 1.00 0.00 H new ATOM 0 HB ILE A 17 -17.488 -3.920 -8.820 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -17.246 -6.360 -7.948 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -16.191 -5.781 -9.222 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -15.119 -3.301 -8.616 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -16.176 -2.228 -7.667 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -15.226 -3.491 -6.850 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -14.896 -6.987 -7.493 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -14.420 -5.273 -7.544 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -15.491 -5.861 -6.250 1.00 0.00 H new ATOM 249 N PHE A 18 -19.119 -2.145 -7.192 1.00 0.00 N ATOM 250 CA PHE A 18 -19.591 -0.793 -6.946 1.00 0.00 C ATOM 251 C PHE A 18 -20.347 -0.709 -5.619 1.00 0.00 C ATOM 252 O PHE A 18 -20.326 0.325 -4.953 1.00 0.00 O ATOM 253 CB PHE A 18 -20.546 -0.438 -8.088 1.00 0.00 C ATOM 254 CG PHE A 18 -19.942 0.497 -9.137 1.00 0.00 C ATOM 255 CD1 PHE A 18 -18.795 0.148 -9.779 1.00 0.00 C ATOM 256 CD2 PHE A 18 -20.551 1.677 -9.428 1.00 0.00 C ATOM 257 CE1 PHE A 18 -18.234 1.016 -10.753 1.00 0.00 C ATOM 258 CE2 PHE A 18 -19.990 2.545 -10.402 1.00 0.00 C ATOM 259 CZ PHE A 18 -18.843 2.196 -11.044 1.00 0.00 C ATOM 0 H PHE A 18 -19.465 -2.567 -8.053 1.00 0.00 H new ATOM 0 HA PHE A 18 -18.745 -0.107 -6.895 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -20.868 -1.357 -8.578 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -21.438 0.029 -7.670 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -18.311 -0.789 -9.548 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -21.462 1.954 -8.918 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -17.323 0.739 -11.263 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -20.474 3.482 -10.633 1.00 0.00 H new ATOM 0 HZ PHE A 18 -18.416 2.856 -11.785 1.00 0.00 H new ATOM 269 N GLY A 19 -20.998 -1.810 -5.275 1.00 0.00 N ATOM 270 CA GLY A 19 -21.760 -1.874 -4.039 1.00 0.00 C ATOM 271 C GLY A 19 -20.834 -2.028 -2.831 1.00 0.00 C ATOM 272 O GLY A 19 -21.207 -1.687 -1.710 1.00 0.00 O ATOM 0 H GLY A 19 -21.014 -2.665 -5.830 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -22.359 -0.970 -3.930 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -22.454 -2.713 -4.079 1.00 0.00 H new ATOM 276 N TYR A 20 -19.643 -2.543 -3.101 1.00 0.00 N ATOM 277 CA TYR A 20 -18.660 -2.747 -2.050 1.00 0.00 C ATOM 278 C TYR A 20 -17.417 -3.456 -2.592 1.00 0.00 C ATOM 279 O TYR A 20 -16.345 -2.859 -2.676 1.00 0.00 O ATOM 280 CB TYR A 20 -19.334 -3.646 -1.012 1.00 0.00 C ATOM 281 CG TYR A 20 -19.321 -3.076 0.408 1.00 0.00 C ATOM 282 CD1 TYR A 20 -18.120 -2.825 1.040 1.00 0.00 C ATOM 283 CD2 TYR A 20 -20.510 -2.812 1.056 1.00 0.00 C ATOM 284 CE1 TYR A 20 -18.108 -2.288 2.376 1.00 0.00 C ATOM 285 CE2 TYR A 20 -20.498 -2.275 2.392 1.00 0.00 C ATOM 286 CZ TYR A 20 -19.297 -2.039 2.986 1.00 0.00 C ATOM 287 OH TYR A 20 -19.286 -1.532 4.248 1.00 0.00 O ATOM 0 H TYR A 20 -19.337 -2.825 -4.032 1.00 0.00 H new ATOM 0 HA TYR A 20 -18.341 -1.792 -1.632 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -20.367 -3.820 -1.313 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -18.836 -4.615 -1.008 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -17.189 -3.031 0.533 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -21.450 -3.008 0.561 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -17.175 -2.088 2.882 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -21.422 -2.064 2.911 1.00 0.00 H new ATOM 0 HH TYR A 20 -20.207 -1.404 4.557 1.00 0.00 H new ATOM 297 N LYS A 21 -17.603 -4.719 -2.946 1.00 0.00 N ATOM 298 CA LYS A 21 -16.510 -5.515 -3.477 1.00 0.00 C ATOM 299 C LYS A 21 -17.052 -6.865 -3.953 1.00 0.00 C ATOM 300 O LYS A 21 -18.253 -7.012 -4.174 1.00 0.00 O ATOM 301 CB LYS A 21 -15.383 -5.633 -2.449 1.00 0.00 C ATOM 302 CG LYS A 21 -15.855 -6.383 -1.202 1.00 0.00 C ATOM 303 CD LYS A 21 -14.972 -6.053 0.003 1.00 0.00 C ATOM 304 CE LYS A 21 -15.752 -6.199 1.311 1.00 0.00 C ATOM 305 NZ LYS A 21 -15.114 -5.407 2.387 1.00 0.00 N ATOM 0 H LYS A 21 -18.494 -5.211 -2.876 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.068 -5.024 -4.344 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.535 -6.155 -2.892 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.035 -4.639 -2.170 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.889 -6.117 -0.983 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.834 -7.457 -1.389 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.106 -6.715 0.016 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.593 -5.035 -0.087 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.780 -5.866 1.167 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.794 -7.249 1.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.656 -5.518 3.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.141 -5.743 2.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.096 -4.403 2.115 1.00 0.00 H new ATOM 319 N ARG A 22 -16.140 -7.816 -4.095 1.00 0.00 N ATOM 320 CA ARG A 22 -16.512 -9.148 -4.540 1.00 0.00 C ATOM 321 C ARG A 22 -16.363 -10.151 -3.395 1.00 0.00 C ATOM 322 O ARG A 22 -17.269 -10.940 -3.134 1.00 0.00 O ATOM 323 CB ARG A 22 -15.645 -9.597 -5.718 1.00 0.00 C ATOM 324 CG ARG A 22 -16.492 -10.279 -6.794 1.00 0.00 C ATOM 325 CD ARG A 22 -16.554 -11.791 -6.566 1.00 0.00 C ATOM 326 NE ARG A 22 -17.706 -12.366 -7.295 1.00 0.00 N ATOM 327 CZ ARG A 22 -17.812 -13.658 -7.635 1.00 0.00 C ATOM 328 NH1 ARG A 22 -16.835 -14.517 -7.313 1.00 0.00 N ATOM 329 NH2 ARG A 22 -18.894 -14.091 -8.296 1.00 0.00 N ATOM 0 H ARG A 22 -15.145 -7.690 -3.910 1.00 0.00 H new ATOM 0 HA ARG A 22 -17.553 -9.111 -4.862 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -15.132 -8.736 -6.146 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.875 -10.284 -5.366 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -17.500 -9.865 -6.785 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -16.071 -10.073 -7.778 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.629 -12.257 -6.906 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.645 -12.003 -5.501 1.00 0.00 H new ATOM 0 HE ARG A 22 -18.468 -11.739 -7.555 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.011 -14.187 -6.809 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.915 -15.500 -7.571 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -19.638 -13.437 -8.541 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.974 -15.074 -8.554 1.00 0.00 H new ATOM 343 N ARG A 23 -15.212 -10.087 -2.741 1.00 0.00 N ATOM 344 CA ARG A 23 -14.933 -10.980 -1.629 1.00 0.00 C ATOM 345 C ARG A 23 -13.435 -10.990 -1.319 1.00 0.00 C ATOM 346 O ARG A 23 -12.643 -11.539 -2.084 1.00 0.00 O ATOM 347 CB ARG A 23 -15.392 -12.406 -1.939 1.00 0.00 C ATOM 348 CG ARG A 23 -16.572 -12.808 -1.051 1.00 0.00 C ATOM 349 CD ARG A 23 -16.144 -13.836 -0.002 1.00 0.00 C ATOM 350 NE ARG A 23 -17.264 -14.759 0.289 1.00 0.00 N ATOM 351 CZ ARG A 23 -17.184 -15.794 1.136 1.00 0.00 C ATOM 352 NH1 ARG A 23 -16.036 -16.045 1.780 1.00 0.00 N ATOM 353 NH2 ARG A 23 -18.251 -16.578 1.338 1.00 0.00 N ATOM 0 H ARG A 23 -14.462 -9.431 -2.960 1.00 0.00 H new ATOM 0 HA ARG A 23 -15.484 -10.613 -0.763 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -15.680 -12.479 -2.988 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -14.565 -13.099 -1.787 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.977 -11.925 -0.556 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -17.370 -13.222 -1.667 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.283 -14.398 -0.362 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.834 -13.328 0.911 1.00 0.00 H new ATOM 0 HE ARG A 23 -18.152 -14.597 -0.185 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.223 -15.448 1.625 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.975 -16.833 2.425 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.124 -16.387 0.847 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -18.190 -17.366 1.983 1.00 0.00 H new ATOM 367 N GLY A 24 -13.091 -10.376 -0.197 1.00 0.00 N ATOM 368 CA GLY A 24 -11.702 -10.307 0.223 1.00 0.00 C ATOM 369 C GLY A 24 -10.786 -9.988 -0.961 1.00 0.00 C ATOM 370 O GLY A 24 -11.150 -9.207 -1.839 1.00 0.00 O ATOM 0 H GLY A 24 -13.751 -9.922 0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.588 -9.542 0.992 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.406 -11.256 0.671 1.00 0.00 H new ATOM 374 N GLY A 25 -9.616 -10.609 -0.946 1.00 0.00 N ATOM 375 CA GLY A 25 -8.645 -10.401 -2.007 1.00 0.00 C ATOM 376 C GLY A 25 -7.218 -10.594 -1.491 1.00 0.00 C ATOM 377 O GLY A 25 -6.402 -9.676 -1.554 1.00 0.00 O ATOM 0 H GLY A 25 -9.318 -11.256 -0.216 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.838 -11.098 -2.823 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.755 -9.396 -2.414 1.00 0.00 H new ATOM 381 N VAL A 26 -6.960 -11.794 -0.992 1.00 0.00 N ATOM 382 CA VAL A 26 -5.646 -12.119 -0.465 1.00 0.00 C ATOM 383 C VAL A 26 -5.357 -11.237 0.751 1.00 0.00 C ATOM 384 O VAL A 26 -5.717 -10.061 0.770 1.00 0.00 O ATOM 385 CB VAL A 26 -4.592 -11.983 -1.566 1.00 0.00 C ATOM 386 CG1 VAL A 26 -3.182 -12.159 -1.000 1.00 0.00 C ATOM 387 CG2 VAL A 26 -4.855 -12.974 -2.702 1.00 0.00 C ATOM 0 H VAL A 26 -7.639 -12.553 -0.942 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.615 -13.156 -0.130 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.664 -10.976 -1.977 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.452 -12.058 -1.803 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.996 -11.397 -0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.091 -13.148 -0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.092 -12.857 -3.471 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.824 -13.991 -2.312 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.837 -12.781 -3.133 1.00 0.00 H new ATOM 397 N PRO A 27 -4.692 -11.855 1.764 1.00 0.00 N ATOM 398 CA PRO A 27 -4.350 -11.140 2.982 1.00 0.00 C ATOM 399 C PRO A 27 -3.176 -10.187 2.747 1.00 0.00 C ATOM 400 O PRO A 27 -2.716 -10.031 1.617 1.00 0.00 O ATOM 401 CB PRO A 27 -4.041 -12.223 4.002 1.00 0.00 C ATOM 402 CG PRO A 27 -3.768 -13.485 3.199 1.00 0.00 C ATOM 403 CD PRO A 27 -4.250 -13.247 1.777 1.00 0.00 C ATOM 0 HA PRO A 27 -5.159 -10.500 3.334 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.178 -11.952 4.610 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.879 -12.368 4.684 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.704 -13.720 3.207 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.285 -14.337 3.640 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.451 -13.416 1.055 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.064 -13.923 1.516 1.00 0.00 H new ATOM 411 N SER A 28 -2.726 -9.575 3.832 1.00 0.00 N ATOM 412 CA SER A 28 -1.615 -8.642 3.758 1.00 0.00 C ATOM 413 C SER A 28 -2.049 -7.368 3.031 1.00 0.00 C ATOM 414 O SER A 28 -2.015 -6.279 3.603 1.00 0.00 O ATOM 415 CB SER A 28 -0.412 -9.272 3.052 1.00 0.00 C ATOM 416 OG SER A 28 -0.334 -10.676 3.283 1.00 0.00 O ATOM 0 H SER A 28 -3.111 -9.707 4.767 1.00 0.00 H new ATOM 0 HA SER A 28 -1.314 -8.388 4.774 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.481 -9.084 1.981 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.504 -8.795 3.401 1.00 0.00 H new ATOM 0 HG SER A 28 0.445 -11.042 2.815 1.00 0.00 H new ATOM 422 N LEU A 29 -2.447 -7.545 1.779 1.00 0.00 N ATOM 423 CA LEU A 29 -2.887 -6.423 0.968 1.00 0.00 C ATOM 424 C LEU A 29 -3.764 -5.499 1.815 1.00 0.00 C ATOM 425 O LEU A 29 -3.542 -4.290 1.855 1.00 0.00 O ATOM 426 CB LEU A 29 -3.570 -6.920 -0.308 1.00 0.00 C ATOM 427 CG LEU A 29 -2.976 -6.417 -1.626 1.00 0.00 C ATOM 428 CD1 LEU A 29 -1.963 -7.416 -2.187 1.00 0.00 C ATOM 429 CD2 LEU A 29 -4.079 -6.091 -2.635 1.00 0.00 C ATOM 0 H LEU A 29 -2.474 -8.449 1.307 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.032 -5.834 0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.541 -8.010 -0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.620 -6.630 -0.271 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.438 -5.490 -1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.556 -7.034 -3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.154 -7.555 -1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.456 -8.371 -2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.630 -5.736 -3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.665 -6.988 -2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.729 -5.317 -2.227 1.00 0.00 H new ATOM 441 N ILE A 30 -4.743 -6.104 2.472 1.00 0.00 N ATOM 442 CA ILE A 30 -5.655 -5.351 3.317 1.00 0.00 C ATOM 443 C ILE A 30 -4.849 -4.437 4.242 1.00 0.00 C ATOM 444 O ILE A 30 -5.115 -3.239 4.321 1.00 0.00 O ATOM 445 CB ILE A 30 -6.602 -6.296 4.058 1.00 0.00 C ATOM 446 CG1 ILE A 30 -5.820 -7.310 4.897 1.00 0.00 C ATOM 447 CG2 ILE A 30 -7.567 -6.979 3.087 1.00 0.00 C ATOM 448 CD1 ILE A 30 -6.728 -8.448 5.368 1.00 0.00 C ATOM 0 H ILE A 30 -4.925 -7.107 2.436 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.294 -4.708 2.711 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.204 -5.704 4.747 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.997 -7.716 4.309 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.379 -6.811 5.760 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -8.229 -7.645 3.640 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.160 -6.223 2.572 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.000 -7.556 2.356 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.148 -9.154 5.962 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.536 -8.041 5.976 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.148 -8.961 4.502 1.00 0.00 H new ATOM 460 N ALA A 31 -3.881 -5.038 4.918 1.00 0.00 N ATOM 461 CA ALA A 31 -3.035 -4.293 5.834 1.00 0.00 C ATOM 462 C ALA A 31 -2.388 -3.123 5.089 1.00 0.00 C ATOM 463 O ALA A 31 -2.219 -2.042 5.650 1.00 0.00 O ATOM 464 CB ALA A 31 -1.999 -5.234 6.453 1.00 0.00 C ATOM 0 H ALA A 31 -3.664 -6.032 4.850 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.627 -3.877 6.650 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.364 -4.675 7.140 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.509 -6.030 6.996 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.385 -5.669 5.664 1.00 0.00 H new ATOM 470 N GLY A 32 -2.044 -3.380 3.835 1.00 0.00 N ATOM 471 CA GLY A 32 -1.420 -2.363 3.007 1.00 0.00 C ATOM 472 C GLY A 32 -2.409 -1.243 2.676 1.00 0.00 C ATOM 473 O GLY A 32 -2.011 -0.094 2.487 1.00 0.00 O ATOM 0 H GLY A 32 -2.186 -4.278 3.373 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.555 -1.948 3.524 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.054 -2.814 2.085 1.00 0.00 H new ATOM 477 N LEU A 33 -3.678 -1.617 2.615 1.00 0.00 N ATOM 478 CA LEU A 33 -4.727 -0.659 2.310 1.00 0.00 C ATOM 479 C LEU A 33 -4.936 0.262 3.514 1.00 0.00 C ATOM 480 O LEU A 33 -4.902 1.484 3.378 1.00 0.00 O ATOM 481 CB LEU A 33 -5.998 -1.381 1.859 1.00 0.00 C ATOM 482 CG LEU A 33 -6.331 -1.287 0.369 1.00 0.00 C ATOM 483 CD1 LEU A 33 -6.296 -2.667 -0.289 1.00 0.00 C ATOM 484 CD2 LEU A 33 -7.670 -0.581 0.149 1.00 0.00 C ATOM 0 H LEU A 33 -4.004 -2.571 2.772 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.434 -0.027 1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.907 -2.434 2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.839 -0.981 2.425 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.565 -0.681 -0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.536 -2.571 -1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.300 -3.097 -0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.026 -3.318 0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.882 -0.528 -0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.462 -1.139 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.621 0.427 0.560 1.00 0.00 H new ATOM 496 N PHE A 34 -5.149 -0.360 4.664 1.00 0.00 N ATOM 497 CA PHE A 34 -5.364 0.389 5.891 1.00 0.00 C ATOM 498 C PHE A 34 -4.202 1.346 6.160 1.00 0.00 C ATOM 499 O PHE A 34 -4.417 2.514 6.480 1.00 0.00 O ATOM 500 CB PHE A 34 -5.443 -0.631 7.029 1.00 0.00 C ATOM 501 CG PHE A 34 -6.871 -0.980 7.453 1.00 0.00 C ATOM 502 CD1 PHE A 34 -7.634 -0.057 8.097 1.00 0.00 C ATOM 503 CD2 PHE A 34 -7.378 -2.214 7.187 1.00 0.00 C ATOM 504 CE1 PHE A 34 -8.959 -0.381 8.491 1.00 0.00 C ATOM 505 CE2 PHE A 34 -8.703 -2.538 7.581 1.00 0.00 C ATOM 506 CZ PHE A 34 -9.466 -1.615 8.225 1.00 0.00 C ATOM 0 H PHE A 34 -5.177 -1.374 4.772 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.276 0.981 5.811 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.933 -1.544 6.721 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.904 -0.240 7.892 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.232 0.923 8.309 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.772 -2.948 6.676 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -9.565 0.353 9.002 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.105 -3.518 7.369 1.00 0.00 H new ATOM 0 HZ PHE A 34 -10.474 -1.861 8.525 1.00 0.00 H new ATOM 516 N VAL A 35 -2.996 0.816 6.020 1.00 0.00 N ATOM 517 CA VAL A 35 -1.799 1.609 6.244 1.00 0.00 C ATOM 518 C VAL A 35 -1.774 2.777 5.256 1.00 0.00 C ATOM 519 O VAL A 35 -1.838 3.938 5.660 1.00 0.00 O ATOM 520 CB VAL A 35 -0.557 0.720 6.150 1.00 0.00 C ATOM 521 CG1 VAL A 35 0.704 1.561 5.939 1.00 0.00 C ATOM 522 CG2 VAL A 35 -0.423 -0.167 7.389 1.00 0.00 C ATOM 0 H VAL A 35 -2.822 -0.153 5.754 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.804 2.033 7.248 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.675 0.069 5.283 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.572 0.905 5.876 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.611 2.130 5.014 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.828 2.247 6.777 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.468 -0.789 7.297 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.338 0.459 8.277 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.303 -0.804 7.477 1.00 0.00 H new ATOM 532 N GLY A 36 -1.682 2.430 3.981 1.00 0.00 N ATOM 533 CA GLY A 36 -1.648 3.436 2.933 1.00 0.00 C ATOM 534 C GLY A 36 -2.701 4.519 3.177 1.00 0.00 C ATOM 535 O GLY A 36 -2.429 5.705 2.999 1.00 0.00 O ATOM 0 H GLY A 36 -1.630 1.467 3.650 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.658 3.890 2.892 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.823 2.965 1.966 1.00 0.00 H new ATOM 539 N CYS A 37 -3.881 4.072 3.582 1.00 0.00 N ATOM 540 CA CYS A 37 -4.975 4.988 3.853 1.00 0.00 C ATOM 541 C CYS A 37 -4.538 5.942 4.967 1.00 0.00 C ATOM 542 O CYS A 37 -4.462 7.152 4.758 1.00 0.00 O ATOM 543 CB CYS A 37 -6.262 4.242 4.213 1.00 0.00 C ATOM 544 SG CYS A 37 -7.627 4.788 3.124 1.00 0.00 S ATOM 0 H CYS A 37 -4.103 3.087 3.729 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.204 5.561 2.954 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.111 3.168 4.109 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -6.521 4.428 5.255 1.00 0.00 H new ATOM 0 HG CYS A 37 -8.714 4.147 3.436 1.00 0.00 H new ATOM 550 N LEU A 38 -4.263 5.362 6.125 1.00 0.00 N ATOM 551 CA LEU A 38 -3.836 6.146 7.272 1.00 0.00 C ATOM 552 C LEU A 38 -2.873 7.239 6.807 1.00 0.00 C ATOM 553 O LEU A 38 -2.940 8.373 7.278 1.00 0.00 O ATOM 554 CB LEU A 38 -3.256 5.236 8.357 1.00 0.00 C ATOM 555 CG LEU A 38 -4.031 5.187 9.676 1.00 0.00 C ATOM 556 CD1 LEU A 38 -4.102 6.572 10.321 1.00 0.00 C ATOM 557 CD2 LEU A 38 -5.419 4.576 9.474 1.00 0.00 C ATOM 0 H LEU A 38 -4.327 4.358 6.294 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.689 6.646 7.730 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.192 4.224 7.958 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.237 5.560 8.569 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.492 4.538 10.366 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.658 6.510 11.257 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.093 6.932 10.522 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.606 7.263 9.645 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.949 4.553 10.426 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.981 5.178 8.761 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.317 3.561 9.091 1.00 0.00 H new ATOM 569 N ALA A 39 -1.997 6.860 5.887 1.00 0.00 N ATOM 570 CA ALA A 39 -1.021 7.794 5.353 1.00 0.00 C ATOM 571 C ALA A 39 -1.751 8.956 4.677 1.00 0.00 C ATOM 572 O ALA A 39 -1.661 10.097 5.128 1.00 0.00 O ATOM 573 CB ALA A 39 -0.082 7.059 4.394 1.00 0.00 C ATOM 0 H ALA A 39 -1.943 5.919 5.498 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.409 8.209 6.154 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.650 7.760 3.993 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.434 6.262 4.929 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.660 6.631 3.575 1.00 0.00 H new ATOM 579 N GLY A 40 -2.457 8.627 3.605 1.00 0.00 N ATOM 580 CA GLY A 40 -3.201 9.630 2.862 1.00 0.00 C ATOM 581 C GLY A 40 -4.136 10.414 3.785 1.00 0.00 C ATOM 582 O GLY A 40 -3.938 11.608 4.007 1.00 0.00 O ATOM 0 H GLY A 40 -2.530 7.680 3.233 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.508 10.315 2.374 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.781 9.149 2.075 1.00 0.00 H new ATOM 586 N TYR A 41 -5.135 9.711 4.299 1.00 0.00 N ATOM 587 CA TYR A 41 -6.101 10.327 5.193 1.00 0.00 C ATOM 588 C TYR A 41 -5.425 11.344 6.114 1.00 0.00 C ATOM 589 O TYR A 41 -5.788 12.519 6.120 1.00 0.00 O ATOM 590 CB TYR A 41 -6.674 9.190 6.041 1.00 0.00 C ATOM 591 CG TYR A 41 -8.134 8.856 5.730 1.00 0.00 C ATOM 592 CD1 TYR A 41 -8.528 8.633 4.426 1.00 0.00 C ATOM 593 CD2 TYR A 41 -9.057 8.778 6.753 1.00 0.00 C ATOM 594 CE1 TYR A 41 -9.903 8.320 4.133 1.00 0.00 C ATOM 595 CE2 TYR A 41 -10.432 8.465 6.460 1.00 0.00 C ATOM 596 CZ TYR A 41 -10.787 8.251 5.165 1.00 0.00 C ATOM 597 OH TYR A 41 -12.085 7.954 4.888 1.00 0.00 O ATOM 0 H TYR A 41 -5.296 8.721 4.113 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.868 10.853 4.626 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -6.068 8.297 5.890 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.590 9.458 7.094 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -7.805 8.693 3.626 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -8.748 8.952 7.773 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.225 8.144 3.117 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -11.165 8.402 7.251 1.00 0.00 H new ATOM 0 HH TYR A 41 -12.602 7.937 5.721 1.00 0.00 H new ATOM 607 N GLY A 42 -4.453 10.855 6.870 1.00 0.00 N ATOM 608 CA GLY A 42 -3.722 11.707 7.793 1.00 0.00 C ATOM 609 C GLY A 42 -3.175 12.946 7.081 1.00 0.00 C ATOM 610 O GLY A 42 -3.379 14.069 7.537 1.00 0.00 O ATOM 0 H GLY A 42 -4.155 9.880 6.862 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.378 12.012 8.609 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.900 11.146 8.237 1.00 0.00 H new ATOM 614 N ALA A 43 -2.491 12.698 5.973 1.00 0.00 N ATOM 615 CA ALA A 43 -1.914 13.779 5.193 1.00 0.00 C ATOM 616 C ALA A 43 -2.998 14.813 4.880 1.00 0.00 C ATOM 617 O ALA A 43 -2.709 16.002 4.754 1.00 0.00 O ATOM 618 CB ALA A 43 -1.270 13.209 3.928 1.00 0.00 C ATOM 0 H ALA A 43 -2.324 11.764 5.598 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.131 14.284 5.759 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.837 14.020 3.343 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.487 12.503 4.205 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.027 12.697 3.334 1.00 0.00 H new ATOM 624 N TYR A 44 -4.223 14.322 4.765 1.00 0.00 N ATOM 625 CA TYR A 44 -5.352 15.188 4.470 1.00 0.00 C ATOM 626 C TYR A 44 -5.898 15.831 5.746 1.00 0.00 C ATOM 627 O TYR A 44 -6.437 16.936 5.707 1.00 0.00 O ATOM 628 CB TYR A 44 -6.430 14.285 3.867 1.00 0.00 C ATOM 629 CG TYR A 44 -6.594 14.437 2.353 1.00 0.00 C ATOM 630 CD1 TYR A 44 -5.570 14.065 1.507 1.00 0.00 C ATOM 631 CD2 TYR A 44 -7.767 14.947 1.835 1.00 0.00 C ATOM 632 CE1 TYR A 44 -5.725 14.209 0.082 1.00 0.00 C ATOM 633 CE2 TYR A 44 -7.922 15.091 0.411 1.00 0.00 C ATOM 634 CZ TYR A 44 -6.893 14.715 -0.395 1.00 0.00 C ATOM 635 OH TYR A 44 -7.040 14.851 -1.741 1.00 0.00 O ATOM 0 H TYR A 44 -4.459 13.335 4.871 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.054 15.991 3.796 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.188 13.247 4.093 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.383 14.503 4.349 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -4.652 13.666 1.913 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.569 15.238 2.498 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.931 13.922 -0.592 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.835 15.489 -0.008 1.00 0.00 H new ATOM 0 HH TYR A 44 -7.925 15.224 -1.937 1.00 0.00 H new ATOM 645 N ARG A 45 -5.739 15.112 6.848 1.00 0.00 N ATOM 646 CA ARG A 45 -6.209 15.599 8.133 1.00 0.00 C ATOM 647 C ARG A 45 -5.518 16.918 8.486 1.00 0.00 C ATOM 648 O ARG A 45 -6.109 17.777 9.139 1.00 0.00 O ATOM 649 CB ARG A 45 -5.941 14.579 9.241 1.00 0.00 C ATOM 650 CG ARG A 45 -7.182 14.376 10.112 1.00 0.00 C ATOM 651 CD ARG A 45 -8.091 13.292 9.529 1.00 0.00 C ATOM 652 NE ARG A 45 -9.394 13.292 10.230 1.00 0.00 N ATOM 653 CZ ARG A 45 -10.414 14.104 9.919 1.00 0.00 C ATOM 654 NH1 ARG A 45 -10.288 14.984 8.917 1.00 0.00 N ATOM 655 NH2 ARG A 45 -11.560 14.034 10.610 1.00 0.00 N ATOM 0 H ARG A 45 -5.291 14.196 6.877 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.284 15.758 8.054 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.642 13.628 8.800 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.110 14.918 9.859 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.880 14.098 11.122 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.733 15.313 10.191 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.242 13.467 8.464 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.616 12.316 9.628 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.524 12.633 10.998 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.416 15.036 8.391 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.064 15.602 8.680 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -11.656 13.363 11.372 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.337 14.652 10.374 1.00 0.00 H new ATOM 669 N VAL A 46 -4.277 17.037 8.040 1.00 0.00 N ATOM 670 CA VAL A 46 -3.499 18.236 8.300 1.00 0.00 C ATOM 671 C VAL A 46 -3.214 18.338 9.800 1.00 0.00 C ATOM 672 O VAL A 46 -3.491 19.363 10.420 1.00 0.00 O ATOM 673 CB VAL A 46 -4.227 19.463 7.746 1.00 0.00 C ATOM 674 CG1 VAL A 46 -3.374 20.723 7.901 1.00 0.00 C ATOM 675 CG2 VAL A 46 -4.627 19.248 6.285 1.00 0.00 C ATOM 0 H VAL A 46 -3.790 16.322 7.499 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.538 18.186 7.788 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.139 19.603 8.327 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.915 21.580 7.499 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.161 20.891 8.957 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.438 20.598 7.357 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.143 20.134 5.915 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.734 19.071 5.686 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.290 18.386 6.212 1.00 0.00 H new ATOM 685 N SER A 47 -2.663 17.260 10.339 1.00 0.00 N ATOM 686 CA SER A 47 -2.337 17.216 11.755 1.00 0.00 C ATOM 687 C SER A 47 -0.820 17.267 11.944 1.00 0.00 C ATOM 688 O SER A 47 -0.323 17.980 12.815 1.00 0.00 O ATOM 689 CB SER A 47 -2.911 15.959 12.413 1.00 0.00 C ATOM 690 OG SER A 47 -2.896 14.840 11.531 1.00 0.00 O ATOM 0 H SER A 47 -2.434 16.411 9.822 1.00 0.00 H new ATOM 0 HA SER A 47 -2.787 18.084 12.237 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.335 15.723 13.308 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.934 16.153 12.735 1.00 0.00 H new ATOM 0 HG SER A 47 -3.269 14.058 11.989 1.00 0.00 H new ATOM 696 N ASN A 48 -0.125 16.503 11.114 1.00 0.00 N ATOM 697 CA ASN A 48 1.325 16.452 11.179 1.00 0.00 C ATOM 698 C ASN A 48 1.909 17.590 10.339 1.00 0.00 C ATOM 699 O ASN A 48 3.017 18.056 10.603 1.00 0.00 O ATOM 700 CB ASN A 48 1.856 15.131 10.620 1.00 0.00 C ATOM 701 CG ASN A 48 2.795 14.451 11.618 1.00 0.00 C ATOM 702 OD1 ASN A 48 2.637 14.548 12.824 1.00 0.00 O ATOM 703 ND2 ASN A 48 3.778 13.758 11.050 1.00 0.00 N ATOM 0 H ASN A 48 -0.540 15.914 10.392 1.00 0.00 H new ATOM 0 HA ASN A 48 1.619 16.545 12.225 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.022 14.468 10.390 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.385 15.314 9.685 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.457 13.267 11.631 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.853 13.718 10.034 1.00 0.00 H new ATOM 710 N ASP A 49 1.138 18.005 9.345 1.00 0.00 N ATOM 711 CA ASP A 49 1.564 19.080 8.465 1.00 0.00 C ATOM 712 C ASP A 49 2.964 18.770 7.930 1.00 0.00 C ATOM 713 O ASP A 49 3.953 19.314 8.418 1.00 0.00 O ATOM 714 CB ASP A 49 1.629 20.412 9.214 1.00 0.00 C ATOM 715 CG ASP A 49 0.308 21.182 9.279 1.00 0.00 C ATOM 716 OD1 ASP A 49 0.081 21.960 8.276 1.00 0.00 O ATOM 717 OD2 ASP A 49 -0.464 21.045 10.240 1.00 0.00 O ATOM 0 H ASP A 49 0.220 17.616 9.129 1.00 0.00 H new ATOM 0 HA ASP A 49 0.841 19.158 7.653 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.973 20.223 10.231 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.378 21.044 8.736 1.00 0.00 H new ATOM 780 N VAL A 53 5.066 12.985 0.634 1.00 0.00 N ATOM 781 CA VAL A 53 4.455 11.764 1.130 1.00 0.00 C ATOM 782 C VAL A 53 5.553 10.781 1.544 1.00 0.00 C ATOM 783 O VAL A 53 5.736 9.746 0.906 1.00 0.00 O ATOM 784 CB VAL A 53 3.504 11.190 0.079 1.00 0.00 C ATOM 785 CG1 VAL A 53 2.483 10.247 0.720 1.00 0.00 C ATOM 786 CG2 VAL A 53 2.805 12.308 -0.698 1.00 0.00 C ATOM 0 HA VAL A 53 3.853 11.971 2.015 1.00 0.00 H new ATOM 0 HB VAL A 53 4.097 10.611 -0.629 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.819 9.853 -0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.004 9.423 1.207 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.898 10.793 1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.135 11.872 -1.439 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.231 12.926 -0.008 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.551 12.923 -1.201 1.00 0.00 H new ATOM 796 N LYS A 54 6.254 11.141 2.609 1.00 0.00 N ATOM 797 CA LYS A 54 7.328 10.304 3.115 1.00 0.00 C ATOM 798 C LYS A 54 6.731 9.130 3.893 1.00 0.00 C ATOM 799 O LYS A 54 7.257 8.019 3.848 1.00 0.00 O ATOM 800 CB LYS A 54 8.321 11.138 3.927 1.00 0.00 C ATOM 801 CG LYS A 54 7.692 11.616 5.237 1.00 0.00 C ATOM 802 CD LYS A 54 8.143 13.038 5.575 1.00 0.00 C ATOM 803 CE LYS A 54 8.278 13.226 7.088 1.00 0.00 C ATOM 804 NZ LYS A 54 9.135 14.394 7.391 1.00 0.00 N ATOM 0 H LYS A 54 6.099 12.001 3.135 1.00 0.00 H new ATOM 0 HA LYS A 54 7.902 9.882 2.290 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.210 10.545 4.141 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.645 11.997 3.340 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.606 11.585 5.155 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.970 10.940 6.046 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.098 13.245 5.093 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.424 13.755 5.179 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.293 13.366 7.532 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.705 12.328 7.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.216 14.507 8.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.080 14.246 6.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.712 15.251 6.981 1.00 0.00 H new ATOM 818 N VAL A 55 5.640 9.416 4.588 1.00 0.00 N ATOM 819 CA VAL A 55 4.965 8.397 5.375 1.00 0.00 C ATOM 820 C VAL A 55 4.915 7.093 4.577 1.00 0.00 C ATOM 821 O VAL A 55 5.390 6.058 5.042 1.00 0.00 O ATOM 822 CB VAL A 55 3.581 8.894 5.797 1.00 0.00 C ATOM 823 CG1 VAL A 55 2.782 7.780 6.477 1.00 0.00 C ATOM 824 CG2 VAL A 55 3.691 10.121 6.703 1.00 0.00 C ATOM 0 H VAL A 55 5.206 10.339 4.623 1.00 0.00 H new ATOM 0 HA VAL A 55 5.517 8.195 6.293 1.00 0.00 H new ATOM 0 HB VAL A 55 3.043 9.190 4.896 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.802 8.160 6.767 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.658 6.947 5.785 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.316 7.439 7.364 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.693 10.453 6.988 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.257 9.863 7.598 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.202 10.923 6.170 1.00 0.00 H new ATOM 834 N SER A 56 4.335 7.185 3.389 1.00 0.00 N ATOM 835 CA SER A 56 4.216 6.024 2.523 1.00 0.00 C ATOM 836 C SER A 56 5.557 5.292 2.442 1.00 0.00 C ATOM 837 O SER A 56 5.609 4.069 2.566 1.00 0.00 O ATOM 838 CB SER A 56 3.747 6.428 1.123 1.00 0.00 C ATOM 839 OG SER A 56 2.331 6.573 1.056 1.00 0.00 O ATOM 0 H SER A 56 3.943 8.045 3.006 1.00 0.00 H new ATOM 0 HA SER A 56 3.469 5.354 2.949 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.222 7.367 0.839 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.069 5.677 0.402 1.00 0.00 H new ATOM 0 HG SER A 56 2.071 6.833 0.147 1.00 0.00 H new ATOM 845 N LEU A 57 6.609 6.071 2.236 1.00 0.00 N ATOM 846 CA LEU A 57 7.946 5.512 2.138 1.00 0.00 C ATOM 847 C LEU A 57 8.242 4.685 3.390 1.00 0.00 C ATOM 848 O LEU A 57 8.805 3.595 3.301 1.00 0.00 O ATOM 849 CB LEU A 57 8.971 6.617 1.874 1.00 0.00 C ATOM 850 CG LEU A 57 10.090 6.273 0.889 1.00 0.00 C ATOM 851 CD1 LEU A 57 10.975 5.150 1.434 1.00 0.00 C ATOM 852 CD2 LEU A 57 9.521 5.935 -0.491 1.00 0.00 C ATOM 0 H LEU A 57 6.562 7.085 2.134 1.00 0.00 H new ATOM 0 HA LEU A 57 8.014 4.836 1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.442 7.494 1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.424 6.899 2.824 1.00 0.00 H new ATOM 0 HG LEU A 57 10.723 7.153 0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.762 4.925 0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.424 5.465 2.376 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.370 4.259 1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.337 5.694 -1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.852 5.078 -0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.968 6.792 -0.876 1.00 0.00 H new ATOM 864 N PHE A 58 7.850 5.235 4.530 1.00 0.00 N ATOM 865 CA PHE A 58 8.066 4.562 5.799 1.00 0.00 C ATOM 866 C PHE A 58 7.145 3.348 5.940 1.00 0.00 C ATOM 867 O PHE A 58 7.439 2.426 6.699 1.00 0.00 O ATOM 868 CB PHE A 58 7.734 5.570 6.902 1.00 0.00 C ATOM 869 CG PHE A 58 8.951 6.321 7.445 1.00 0.00 C ATOM 870 CD1 PHE A 58 9.807 5.701 8.300 1.00 0.00 C ATOM 871 CD2 PHE A 58 9.176 7.610 7.073 1.00 0.00 C ATOM 872 CE1 PHE A 58 10.937 6.398 8.805 1.00 0.00 C ATOM 873 CE2 PHE A 58 10.306 8.307 7.577 1.00 0.00 C ATOM 874 CZ PHE A 58 11.162 7.687 8.432 1.00 0.00 C ATOM 0 H PHE A 58 7.384 6.139 4.601 1.00 0.00 H new ATOM 0 HA PHE A 58 9.096 4.212 5.864 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.016 6.293 6.515 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.247 5.046 7.724 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.628 4.678 8.595 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.496 8.103 6.395 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.617 5.905 9.484 1.00 0.00 H new ATOM 0 HE2 PHE A 58 10.485 9.330 7.281 1.00 0.00 H new ATOM 0 HZ PHE A 58 12.021 8.218 8.815 1.00 0.00 H new ATOM 884 N THR A 59 6.049 3.388 5.197 1.00 0.00 N ATOM 885 CA THR A 59 5.083 2.303 5.230 1.00 0.00 C ATOM 886 C THR A 59 5.629 1.080 4.489 1.00 0.00 C ATOM 887 O THR A 59 5.637 -0.025 5.029 1.00 0.00 O ATOM 888 CB THR A 59 3.766 2.824 4.652 1.00 0.00 C ATOM 889 OG1 THR A 59 2.908 2.931 5.785 1.00 0.00 O ATOM 890 CG2 THR A 59 3.072 1.797 3.755 1.00 0.00 C ATOM 0 H THR A 59 5.808 4.155 4.569 1.00 0.00 H new ATOM 0 HA THR A 59 4.898 1.970 6.251 1.00 0.00 H new ATOM 0 HB THR A 59 3.955 3.734 4.082 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.235 3.625 5.622 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.143 2.218 3.371 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.726 1.541 2.921 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.852 0.899 4.332 1.00 0.00 H new ATOM 898 N ALA A 60 6.074 1.320 3.264 1.00 0.00 N ATOM 899 CA ALA A 60 6.621 0.253 2.444 1.00 0.00 C ATOM 900 C ALA A 60 7.875 -0.310 3.116 1.00 0.00 C ATOM 901 O ALA A 60 8.012 -1.523 3.265 1.00 0.00 O ATOM 902 CB ALA A 60 6.902 0.783 1.037 1.00 0.00 C ATOM 0 H ALA A 60 6.067 2.238 2.820 1.00 0.00 H new ATOM 0 HA ALA A 60 5.904 -0.563 2.348 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.312 -0.018 0.422 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.975 1.143 0.592 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.620 1.602 1.093 1.00 0.00 H new ATOM 908 N PHE A 61 8.757 0.599 3.505 1.00 0.00 N ATOM 909 CA PHE A 61 9.995 0.209 4.158 1.00 0.00 C ATOM 910 C PHE A 61 9.716 -0.647 5.396 1.00 0.00 C ATOM 911 O PHE A 61 10.279 -1.731 5.545 1.00 0.00 O ATOM 912 CB PHE A 61 10.697 1.497 4.592 1.00 0.00 C ATOM 913 CG PHE A 61 12.216 1.364 4.721 1.00 0.00 C ATOM 914 CD1 PHE A 61 12.954 0.934 3.662 1.00 0.00 C ATOM 915 CD2 PHE A 61 12.829 1.676 5.895 1.00 0.00 C ATOM 916 CE1 PHE A 61 14.363 0.811 3.782 1.00 0.00 C ATOM 917 CE2 PHE A 61 14.238 1.552 6.015 1.00 0.00 C ATOM 918 CZ PHE A 61 14.976 1.123 4.956 1.00 0.00 C ATOM 0 H PHE A 61 8.639 1.604 3.380 1.00 0.00 H new ATOM 0 HA PHE A 61 10.608 -0.378 3.473 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.471 2.283 3.871 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.288 1.817 5.550 1.00 0.00 H new ATOM 0 HD1 PHE A 61 12.468 0.686 2.730 1.00 0.00 H new ATOM 0 HD2 PHE A 61 12.244 2.018 6.736 1.00 0.00 H new ATOM 0 HE1 PHE A 61 14.949 0.470 2.941 1.00 0.00 H new ATOM 0 HE2 PHE A 61 14.724 1.798 6.947 1.00 0.00 H new ATOM 0 HZ PHE A 61 16.048 1.030 5.047 1.00 0.00 H new ATOM 928 N PHE A 62 8.847 -0.129 6.251 1.00 0.00 N ATOM 929 CA PHE A 62 8.486 -0.832 7.470 1.00 0.00 C ATOM 930 C PHE A 62 7.776 -2.150 7.153 1.00 0.00 C ATOM 931 O PHE A 62 7.974 -3.147 7.846 1.00 0.00 O ATOM 932 CB PHE A 62 7.528 0.077 8.244 1.00 0.00 C ATOM 933 CG PHE A 62 6.972 -0.551 9.523 1.00 0.00 C ATOM 934 CD1 PHE A 62 7.737 -0.596 10.647 1.00 0.00 C ATOM 935 CD2 PHE A 62 5.713 -1.065 9.537 1.00 0.00 C ATOM 936 CE1 PHE A 62 7.221 -1.179 11.835 1.00 0.00 C ATOM 937 CE2 PHE A 62 5.197 -1.648 10.725 1.00 0.00 C ATOM 938 CZ PHE A 62 5.962 -1.692 11.848 1.00 0.00 C ATOM 0 H PHE A 62 8.382 0.770 6.124 1.00 0.00 H new ATOM 0 HA PHE A 62 9.382 -1.063 8.046 1.00 0.00 H new ATOM 0 HB2 PHE A 62 8.047 1.000 8.501 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.697 0.349 7.594 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.737 -0.188 10.636 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.105 -1.030 8.645 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.828 -1.215 12.727 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.197 -2.056 10.736 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.569 -2.135 12.751 1.00 0.00 H new ATOM 948 N LEU A 63 6.964 -2.111 6.107 1.00 0.00 N ATOM 949 CA LEU A 63 6.224 -3.290 5.690 1.00 0.00 C ATOM 950 C LEU A 63 7.206 -4.422 5.383 1.00 0.00 C ATOM 951 O LEU A 63 7.316 -5.378 6.148 1.00 0.00 O ATOM 952 CB LEU A 63 5.290 -2.953 4.526 1.00 0.00 C ATOM 953 CG LEU A 63 3.803 -2.845 4.869 1.00 0.00 C ATOM 954 CD1 LEU A 63 3.252 -1.467 4.494 1.00 0.00 C ATOM 955 CD2 LEU A 63 3.007 -3.977 4.216 1.00 0.00 C ATOM 0 H LEU A 63 6.802 -1.282 5.536 1.00 0.00 H new ATOM 0 HA LEU A 63 5.578 -3.638 6.496 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.612 -2.007 4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.411 -3.716 3.757 1.00 0.00 H new ATOM 0 HG LEU A 63 3.692 -2.953 5.948 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.193 -1.417 4.748 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.794 -0.697 5.043 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.376 -1.305 3.423 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.953 -3.877 4.475 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.121 -3.924 3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.379 -4.937 4.574 1.00 0.00 H new ATOM 967 N ALA A 64 7.896 -4.275 4.261 1.00 0.00 N ATOM 968 CA ALA A 64 8.866 -5.273 3.843 1.00 0.00 C ATOM 969 C ALA A 64 9.734 -5.667 5.040 1.00 0.00 C ATOM 970 O ALA A 64 9.994 -6.849 5.259 1.00 0.00 O ATOM 971 CB ALA A 64 9.693 -4.724 2.678 1.00 0.00 C ATOM 0 H ALA A 64 7.802 -3.480 3.629 1.00 0.00 H new ATOM 0 HA ALA A 64 8.363 -6.173 3.490 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.421 -5.472 2.364 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.033 -4.487 1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.215 -3.821 2.996 1.00 0.00 H new ATOM 977 N THR A 65 10.158 -4.655 5.782 1.00 0.00 N ATOM 978 CA THR A 65 10.991 -4.881 6.951 1.00 0.00 C ATOM 979 C THR A 65 10.384 -5.973 7.835 1.00 0.00 C ATOM 980 O THR A 65 11.080 -6.895 8.255 1.00 0.00 O ATOM 981 CB THR A 65 11.167 -3.544 7.672 1.00 0.00 C ATOM 982 OG1 THR A 65 12.236 -2.911 6.973 1.00 0.00 O ATOM 983 CG2 THR A 65 11.702 -3.712 9.095 1.00 0.00 C ATOM 0 H THR A 65 9.940 -3.676 5.596 1.00 0.00 H new ATOM 0 HA THR A 65 11.978 -5.246 6.668 1.00 0.00 H new ATOM 0 HB THR A 65 10.212 -3.020 7.703 1.00 0.00 H new ATOM 0 HG1 THR A 65 11.871 -2.324 6.279 1.00 0.00 H new ATOM 0 HG21 THR A 65 11.808 -2.733 9.562 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.006 -4.317 9.676 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.673 -4.206 9.063 1.00 0.00 H new ATOM 991 N ILE A 66 9.091 -5.831 8.092 1.00 0.00 N ATOM 992 CA ILE A 66 8.383 -6.793 8.918 1.00 0.00 C ATOM 993 C ILE A 66 8.234 -8.107 8.150 1.00 0.00 C ATOM 994 O ILE A 66 8.162 -9.178 8.751 1.00 0.00 O ATOM 995 CB ILE A 66 7.054 -6.209 9.401 1.00 0.00 C ATOM 996 CG1 ILE A 66 6.522 -6.981 10.610 1.00 0.00 C ATOM 997 CG2 ILE A 66 6.033 -6.153 8.262 1.00 0.00 C ATOM 998 CD1 ILE A 66 6.041 -6.024 11.703 1.00 0.00 C ATOM 0 H ILE A 66 8.516 -5.064 7.742 1.00 0.00 H new ATOM 0 HA ILE A 66 8.954 -7.014 9.820 1.00 0.00 H new ATOM 0 HB ILE A 66 7.230 -5.184 9.726 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.701 -7.628 10.301 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.305 -7.628 11.006 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.097 -5.734 8.632 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.419 -5.526 7.458 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.855 -7.159 7.883 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.668 -6.598 12.551 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.870 -5.396 12.027 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.242 -5.396 11.310 1.00 0.00 H new ATOM 1010 N MET A 67 8.191 -7.983 6.831 1.00 0.00 N ATOM 1011 CA MET A 67 8.052 -9.148 5.974 1.00 0.00 C ATOM 1012 C MET A 67 9.238 -10.100 6.145 1.00 0.00 C ATOM 1013 O MET A 67 9.054 -11.306 6.296 1.00 0.00 O ATOM 1014 CB MET A 67 7.963 -8.700 4.514 1.00 0.00 C ATOM 1015 CG MET A 67 7.207 -9.729 3.670 1.00 0.00 C ATOM 1016 SD MET A 67 7.250 -9.256 1.949 1.00 0.00 S ATOM 1017 CE MET A 67 6.440 -10.670 1.219 1.00 0.00 C ATOM 0 H MET A 67 8.250 -7.093 6.335 1.00 0.00 H new ATOM 0 HA MET A 67 7.142 -9.677 6.257 1.00 0.00 H new ATOM 0 HB2 MET A 67 7.459 -7.735 4.456 1.00 0.00 H new ATOM 0 HB3 MET A 67 8.966 -8.560 4.111 1.00 0.00 H new ATOM 0 HG2 MET A 67 7.655 -10.715 3.796 1.00 0.00 H new ATOM 0 HG3 MET A 67 6.174 -9.802 4.010 1.00 0.00 H new ATOM 0 HE1 MET A 67 7.166 -11.253 0.653 1.00 0.00 H new ATOM 0 HE2 MET A 67 6.011 -11.290 2.006 1.00 0.00 H new ATOM 0 HE3 MET A 67 5.647 -10.331 0.552 1.00 0.00 H new ATOM 1027 N GLY A 68 10.429 -9.520 6.115 1.00 0.00 N ATOM 1028 CA GLY A 68 11.646 -10.301 6.264 1.00 0.00 C ATOM 1029 C GLY A 68 12.814 -9.643 5.528 1.00 0.00 C ATOM 1030 O GLY A 68 13.458 -8.740 6.060 1.00 0.00 O ATOM 0 H GLY A 68 10.577 -8.519 5.990 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.889 -10.403 7.322 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.487 -11.307 5.875 1.00 0.00 H new ATOM 1231 N PRO A 79 6.399 -10.881 -4.047 1.00 0.00 N ATOM 1232 CA PRO A 79 6.323 -9.667 -3.254 1.00 0.00 C ATOM 1233 C PRO A 79 6.502 -8.426 -4.131 1.00 0.00 C ATOM 1234 O PRO A 79 6.107 -7.327 -3.747 1.00 0.00 O ATOM 1235 CB PRO A 79 7.412 -9.814 -2.204 1.00 0.00 C ATOM 1236 CG PRO A 79 8.357 -10.882 -2.730 1.00 0.00 C ATOM 1237 CD PRO A 79 7.660 -11.596 -3.877 1.00 0.00 C ATOM 0 HA PRO A 79 5.349 -9.533 -2.783 1.00 0.00 H new ATOM 0 HB2 PRO A 79 7.936 -8.871 -2.050 1.00 0.00 H new ATOM 0 HB3 PRO A 79 6.990 -10.105 -1.242 1.00 0.00 H new ATOM 0 HG2 PRO A 79 9.290 -10.432 -3.071 1.00 0.00 H new ATOM 0 HG3 PRO A 79 8.613 -11.588 -1.940 1.00 0.00 H new ATOM 0 HD2 PRO A 79 8.260 -11.563 -4.787 1.00 0.00 H new ATOM 0 HD3 PRO A 79 7.491 -12.647 -3.645 1.00 0.00 H new ATOM 1245 N ALA A 80 7.099 -8.644 -5.294 1.00 0.00 N ATOM 1246 CA ALA A 80 7.336 -7.558 -6.229 1.00 0.00 C ATOM 1247 C ALA A 80 6.036 -6.779 -6.439 1.00 0.00 C ATOM 1248 O ALA A 80 6.008 -5.559 -6.286 1.00 0.00 O ATOM 1249 CB ALA A 80 7.894 -8.123 -7.537 1.00 0.00 C ATOM 0 H ALA A 80 7.426 -9.557 -5.610 1.00 0.00 H new ATOM 0 HA ALA A 80 8.076 -6.864 -5.831 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.072 -7.308 -8.239 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.832 -8.642 -7.338 1.00 0.00 H new ATOM 0 HB3 ALA A 80 7.176 -8.822 -7.967 1.00 0.00 H new ATOM 1255 N GLY A 81 4.991 -7.516 -6.785 1.00 0.00 N ATOM 1256 CA GLY A 81 3.691 -6.909 -7.017 1.00 0.00 C ATOM 1257 C GLY A 81 3.402 -5.820 -5.982 1.00 0.00 C ATOM 1258 O GLY A 81 3.034 -4.702 -6.338 1.00 0.00 O ATOM 0 H GLY A 81 5.018 -8.528 -6.910 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.659 -6.481 -8.019 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.915 -7.674 -6.972 1.00 0.00 H new ATOM 1262 N LEU A 82 3.580 -6.185 -4.720 1.00 0.00 N ATOM 1263 CA LEU A 82 3.343 -5.253 -3.631 1.00 0.00 C ATOM 1264 C LEU A 82 4.077 -3.942 -3.918 1.00 0.00 C ATOM 1265 O LEU A 82 3.487 -2.865 -3.841 1.00 0.00 O ATOM 1266 CB LEU A 82 3.719 -5.888 -2.291 1.00 0.00 C ATOM 1267 CG LEU A 82 3.268 -5.131 -1.040 1.00 0.00 C ATOM 1268 CD1 LEU A 82 1.869 -5.572 -0.607 1.00 0.00 C ATOM 1269 CD2 LEU A 82 4.291 -5.279 0.088 1.00 0.00 C ATOM 0 H LEU A 82 3.886 -7.113 -4.428 1.00 0.00 H new ATOM 0 HA LEU A 82 2.282 -5.015 -3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.296 -6.892 -2.256 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.803 -5.997 -2.255 1.00 0.00 H new ATOM 0 HG LEU A 82 3.209 -4.070 -1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.573 -5.019 0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.160 -5.373 -1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.876 -6.639 -0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.947 -4.732 0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.405 -6.333 0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.251 -4.877 -0.236 1.00 0.00 H new ATOM 1281 N VAL A 83 5.355 -4.076 -4.244 1.00 0.00 N ATOM 1282 CA VAL A 83 6.176 -2.915 -4.542 1.00 0.00 C ATOM 1283 C VAL A 83 5.553 -2.140 -5.705 1.00 0.00 C ATOM 1284 O VAL A 83 5.630 -0.913 -5.751 1.00 0.00 O ATOM 1285 CB VAL A 83 7.617 -3.351 -4.819 1.00 0.00 C ATOM 1286 CG1 VAL A 83 8.470 -2.165 -5.274 1.00 0.00 C ATOM 1287 CG2 VAL A 83 8.229 -4.029 -3.592 1.00 0.00 C ATOM 0 H VAL A 83 5.841 -4.970 -4.308 1.00 0.00 H new ATOM 0 HA VAL A 83 6.212 -2.242 -3.685 1.00 0.00 H new ATOM 0 HB VAL A 83 7.598 -4.080 -5.629 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.489 -2.502 -5.464 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.050 -1.744 -6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 83 8.479 -1.403 -4.495 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.253 -4.329 -3.815 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.230 -3.332 -2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.641 -4.909 -3.332 1.00 0.00 H new ATOM 1297 N ALA A 84 4.948 -2.888 -6.616 1.00 0.00 N ATOM 1298 CA ALA A 84 4.312 -2.286 -7.776 1.00 0.00 C ATOM 1299 C ALA A 84 3.071 -1.513 -7.327 1.00 0.00 C ATOM 1300 O ALA A 84 2.692 -0.524 -7.952 1.00 0.00 O ATOM 1301 CB ALA A 84 3.982 -3.375 -8.799 1.00 0.00 C ATOM 0 H ALA A 84 4.885 -3.905 -6.575 1.00 0.00 H new ATOM 0 HA ALA A 84 4.985 -1.578 -8.259 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.505 -2.924 -9.669 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.900 -3.875 -9.107 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.305 -4.102 -8.351 1.00 0.00 H new ATOM 1307 N GLY A 85 2.472 -1.993 -6.247 1.00 0.00 N ATOM 1308 CA GLY A 85 1.281 -1.359 -5.707 1.00 0.00 C ATOM 1309 C GLY A 85 1.626 -0.030 -5.030 1.00 0.00 C ATOM 1310 O GLY A 85 0.952 0.975 -5.249 1.00 0.00 O ATOM 0 H GLY A 85 2.789 -2.814 -5.731 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.561 -1.187 -6.507 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.805 -2.025 -4.987 1.00 0.00 H new ATOM 1314 N LEU A 86 2.676 -0.069 -4.223 1.00 0.00 N ATOM 1315 CA LEU A 86 3.119 1.119 -3.513 1.00 0.00 C ATOM 1316 C LEU A 86 3.544 2.184 -4.526 1.00 0.00 C ATOM 1317 O LEU A 86 3.195 3.355 -4.385 1.00 0.00 O ATOM 1318 CB LEU A 86 4.209 0.763 -2.500 1.00 0.00 C ATOM 1319 CG LEU A 86 3.837 0.936 -1.026 1.00 0.00 C ATOM 1320 CD1 LEU A 86 3.547 2.403 -0.703 1.00 0.00 C ATOM 1321 CD2 LEU A 86 2.671 0.023 -0.644 1.00 0.00 C ATOM 0 H LEU A 86 3.233 -0.905 -4.045 1.00 0.00 H new ATOM 0 HA LEU A 86 2.301 1.542 -2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.502 -0.274 -2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.085 1.377 -2.708 1.00 0.00 H new ATOM 0 HG LEU A 86 4.692 0.636 -0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.285 2.499 0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.432 3.004 -0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.717 2.753 -1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.427 0.166 0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.802 0.268 -1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.952 -1.016 -0.813 1.00 0.00 H new ATOM 1333 N SER A 87 4.293 1.739 -5.525 1.00 0.00 N ATOM 1334 CA SER A 87 4.770 2.639 -6.561 1.00 0.00 C ATOM 1335 C SER A 87 3.584 3.304 -7.263 1.00 0.00 C ATOM 1336 O SER A 87 3.463 4.528 -7.260 1.00 0.00 O ATOM 1337 CB SER A 87 5.640 1.897 -7.577 1.00 0.00 C ATOM 1338 OG SER A 87 6.148 2.769 -8.583 1.00 0.00 O ATOM 0 H SER A 87 4.581 0.767 -5.639 1.00 0.00 H new ATOM 0 HA SER A 87 5.383 3.408 -6.091 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.471 1.417 -7.060 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.055 1.105 -8.045 1.00 0.00 H new ATOM 0 HG SER A 87 6.700 2.258 -9.211 1.00 0.00 H new ATOM 1344 N LEU A 88 2.739 2.468 -7.848 1.00 0.00 N ATOM 1345 CA LEU A 88 1.567 2.959 -8.553 1.00 0.00 C ATOM 1346 C LEU A 88 0.853 3.996 -7.684 1.00 0.00 C ATOM 1347 O LEU A 88 0.478 5.063 -8.168 1.00 0.00 O ATOM 1348 CB LEU A 88 0.672 1.795 -8.982 1.00 0.00 C ATOM 1349 CG LEU A 88 0.363 1.701 -10.477 1.00 0.00 C ATOM 1350 CD1 LEU A 88 1.254 0.660 -11.157 1.00 0.00 C ATOM 1351 CD2 LEU A 88 -1.124 1.426 -10.713 1.00 0.00 C ATOM 0 H LEU A 88 2.843 1.453 -7.848 1.00 0.00 H new ATOM 0 HA LEU A 88 1.860 3.461 -9.475 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.146 0.864 -8.670 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.271 1.869 -8.440 1.00 0.00 H new ATOM 0 HG LEU A 88 0.589 2.665 -10.934 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.014 0.613 -12.219 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.300 0.940 -11.034 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.084 -0.316 -10.703 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.317 1.364 -11.784 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.399 0.484 -10.239 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.716 2.234 -10.284 1.00 0.00 H new ATOM 1363 N MET A 89 0.687 3.647 -6.417 1.00 0.00 N ATOM 1364 CA MET A 89 0.024 4.534 -5.477 1.00 0.00 C ATOM 1365 C MET A 89 0.692 5.911 -5.459 1.00 0.00 C ATOM 1366 O MET A 89 0.017 6.933 -5.573 1.00 0.00 O ATOM 1367 CB MET A 89 0.075 3.923 -4.075 1.00 0.00 C ATOM 1368 CG MET A 89 -0.939 4.595 -3.147 1.00 0.00 C ATOM 1369 SD MET A 89 -0.212 4.860 -1.539 1.00 0.00 S ATOM 1370 CE MET A 89 -1.017 3.561 -0.617 1.00 0.00 C ATOM 0 H MET A 89 1.000 2.762 -6.019 1.00 0.00 H new ATOM 0 HA MET A 89 -1.012 4.657 -5.791 1.00 0.00 H new ATOM 0 HB2 MET A 89 -0.132 2.854 -4.132 1.00 0.00 H new ATOM 0 HB3 MET A 89 1.078 4.032 -3.663 1.00 0.00 H new ATOM 0 HG2 MET A 89 -1.259 5.546 -3.572 1.00 0.00 H new ATOM 0 HG3 MET A 89 -1.829 3.972 -3.055 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.399 3.284 0.237 1.00 0.00 H new ATOM 0 HE2 MET A 89 -1.987 3.912 -0.264 1.00 0.00 H new ATOM 0 HE3 MET A 89 -1.158 2.692 -1.260 1.00 0.00 H new ATOM 1380 N MET A 90 2.009 5.893 -5.314 1.00 0.00 N ATOM 1381 CA MET A 90 2.775 7.127 -5.280 1.00 0.00 C ATOM 1382 C MET A 90 2.502 7.977 -6.522 1.00 0.00 C ATOM 1383 O MET A 90 2.122 9.142 -6.411 1.00 0.00 O ATOM 1384 CB MET A 90 4.267 6.799 -5.203 1.00 0.00 C ATOM 1385 CG MET A 90 4.893 7.385 -3.935 1.00 0.00 C ATOM 1386 SD MET A 90 6.669 7.220 -3.999 1.00 0.00 S ATOM 1387 CE MET A 90 7.090 8.733 -4.848 1.00 0.00 C ATOM 0 H MET A 90 2.565 5.043 -5.219 1.00 0.00 H new ATOM 0 HA MET A 90 2.473 7.696 -4.401 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.406 5.718 -5.215 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.776 7.196 -6.081 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.620 8.436 -3.837 1.00 0.00 H new ATOM 0 HG3 MET A 90 4.503 6.871 -3.056 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.171 8.792 -4.972 1.00 0.00 H new ATOM 0 HE2 MET A 90 6.611 8.746 -5.827 1.00 0.00 H new ATOM 0 HE3 MET A 90 6.745 9.586 -4.264 1.00 0.00 H new ATOM 1397 N ILE A 91 2.706 7.362 -7.678 1.00 0.00 N ATOM 1398 CA ILE A 91 2.486 8.047 -8.940 1.00 0.00 C ATOM 1399 C ILE A 91 1.111 8.717 -8.919 1.00 0.00 C ATOM 1400 O ILE A 91 1.006 9.933 -9.075 1.00 0.00 O ATOM 1401 CB ILE A 91 2.684 7.085 -10.113 1.00 0.00 C ATOM 1402 CG1 ILE A 91 4.144 6.642 -10.219 1.00 0.00 C ATOM 1403 CG2 ILE A 91 2.176 7.702 -11.419 1.00 0.00 C ATOM 1404 CD1 ILE A 91 4.245 5.124 -10.381 1.00 0.00 C ATOM 0 H ILE A 91 3.022 6.396 -7.767 1.00 0.00 H new ATOM 0 HA ILE A 91 3.224 8.838 -9.078 1.00 0.00 H new ATOM 0 HB ILE A 91 2.089 6.191 -9.926 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.617 7.134 -11.069 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.688 6.953 -9.327 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.328 6.998 -12.237 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.113 7.926 -11.326 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.724 8.621 -11.624 1.00 0.00 H new ATOM 0 HD11 ILE A 91 5.293 4.835 -10.454 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.793 4.635 -9.518 1.00 0.00 H new ATOM 0 HD13 ILE A 91 3.721 4.819 -11.287 1.00 0.00 H new ATOM 1416 N LEU A 92 0.090 7.895 -8.724 1.00 0.00 N ATOM 1417 CA LEU A 92 -1.274 8.393 -8.681 1.00 0.00 C ATOM 1418 C LEU A 92 -1.367 9.524 -7.655 1.00 0.00 C ATOM 1419 O LEU A 92 -2.183 10.433 -7.799 1.00 0.00 O ATOM 1420 CB LEU A 92 -2.255 7.248 -8.423 1.00 0.00 C ATOM 1421 CG LEU A 92 -3.495 7.212 -9.319 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -3.999 5.779 -9.500 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -4.586 8.140 -8.782 1.00 0.00 C ATOM 0 H LEU A 92 0.180 6.887 -8.594 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.556 8.813 -9.646 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.720 6.305 -8.538 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.583 7.304 -7.385 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.215 7.582 -10.305 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.881 5.782 -10.141 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.218 5.174 -9.960 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.258 5.359 -8.528 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.456 8.096 -9.437 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.871 7.824 -7.778 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.210 9.162 -8.747 1.00 0.00 H new ATOM 1435 N ARG A 93 -0.519 9.432 -6.641 1.00 0.00 N ATOM 1436 CA ARG A 93 -0.495 10.436 -5.591 1.00 0.00 C ATOM 1437 C ARG A 93 0.024 11.766 -6.141 1.00 0.00 C ATOM 1438 O ARG A 93 -0.473 12.830 -5.773 1.00 0.00 O ATOM 1439 CB ARG A 93 0.392 9.993 -4.425 1.00 0.00 C ATOM 1440 CG ARG A 93 -0.275 10.299 -3.083 1.00 0.00 C ATOM 1441 CD ARG A 93 -1.459 9.361 -2.832 1.00 0.00 C ATOM 1442 NE ARG A 93 -2.376 9.959 -1.837 1.00 0.00 N ATOM 1443 CZ ARG A 93 -3.261 9.258 -1.115 1.00 0.00 C ATOM 1444 NH1 ARG A 93 -3.354 7.931 -1.274 1.00 0.00 N ATOM 1445 NH2 ARG A 93 -4.054 9.884 -0.235 1.00 0.00 N ATOM 0 H ARG A 93 0.157 8.677 -6.524 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.515 10.562 -5.229 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.592 8.924 -4.501 1.00 0.00 H new ATOM 0 HB3 ARG A 93 1.354 10.502 -4.481 1.00 0.00 H new ATOM 0 HG2 ARG A 93 0.453 10.194 -2.279 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.617 11.334 -3.071 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.992 9.177 -3.765 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.100 8.396 -2.474 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.332 10.968 -1.691 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.751 7.454 -1.945 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -4.028 7.397 -0.724 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.984 10.894 -0.114 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -4.727 9.350 0.314 1.00 0.00 H new ATOM 1459 N LEU A 94 1.016 11.663 -7.013 1.00 0.00 N ATOM 1460 CA LEU A 94 1.607 12.845 -7.617 1.00 0.00 C ATOM 1461 C LEU A 94 0.506 13.688 -8.263 1.00 0.00 C ATOM 1462 O LEU A 94 0.401 14.885 -8.000 1.00 0.00 O ATOM 1463 CB LEU A 94 2.726 12.450 -8.583 1.00 0.00 C ATOM 1464 CG LEU A 94 4.149 12.792 -8.137 1.00 0.00 C ATOM 1465 CD1 LEU A 94 4.853 11.562 -7.559 1.00 0.00 C ATOM 1466 CD2 LEU A 94 4.946 13.423 -9.281 1.00 0.00 C ATOM 0 H LEU A 94 1.425 10.779 -7.316 1.00 0.00 H new ATOM 0 HA LEU A 94 2.079 13.466 -6.856 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.669 11.375 -8.754 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.540 12.936 -9.541 1.00 0.00 H new ATOM 0 HG LEU A 94 4.088 13.533 -7.340 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.863 11.832 -7.250 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.295 11.195 -6.697 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.903 10.781 -8.318 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.954 13.656 -8.937 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.000 12.724 -10.116 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.453 14.339 -9.606 1.00 0.00 H new ATOM 1478 N VAL A 95 -0.288 13.030 -9.094 1.00 0.00 N ATOM 1479 CA VAL A 95 -1.378 13.703 -9.780 1.00 0.00 C ATOM 1480 C VAL A 95 -2.469 14.058 -8.768 1.00 0.00 C ATOM 1481 O VAL A 95 -3.174 15.052 -8.933 1.00 0.00 O ATOM 1482 CB VAL A 95 -1.889 12.834 -10.930 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -2.428 11.500 -10.412 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -2.951 13.575 -11.747 1.00 0.00 C ATOM 0 H VAL A 95 -0.198 12.037 -9.308 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.031 14.636 -10.225 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.047 12.621 -11.589 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.785 10.902 -11.250 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.633 10.963 -9.895 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.251 11.684 -9.721 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.298 12.935 -12.558 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.792 13.832 -11.103 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.520 14.486 -12.162 1.00 0.00 H new ATOM 1494 N LEU A 96 -2.573 13.226 -7.742 1.00 0.00 N ATOM 1495 CA LEU A 96 -3.567 13.439 -6.703 1.00 0.00 C ATOM 1496 C LEU A 96 -3.452 14.873 -6.181 1.00 0.00 C ATOM 1497 O LEU A 96 -4.460 15.511 -5.882 1.00 0.00 O ATOM 1498 CB LEU A 96 -3.438 12.375 -5.612 1.00 0.00 C ATOM 1499 CG LEU A 96 -4.704 12.090 -4.800 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -5.472 13.381 -4.513 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -5.578 11.045 -5.496 1.00 0.00 C ATOM 0 H LEU A 96 -1.985 12.403 -7.608 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.573 13.326 -7.108 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.111 11.445 -6.076 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.650 12.682 -4.924 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.407 11.671 -3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.367 13.151 -3.935 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.839 14.063 -3.945 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.759 13.851 -5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.471 10.861 -4.898 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.869 11.412 -6.480 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.017 10.117 -5.606 1.00 0.00 H new ATOM 1513 N LEU A 97 -2.215 15.337 -6.086 1.00 0.00 N ATOM 1514 CA LEU A 97 -1.955 16.683 -5.605 1.00 0.00 C ATOM 1515 C LEU A 97 -2.983 17.643 -6.208 1.00 0.00 C ATOM 1516 O LEU A 97 -3.550 18.475 -5.502 1.00 0.00 O ATOM 1517 CB LEU A 97 -0.505 17.081 -5.883 1.00 0.00 C ATOM 1518 CG LEU A 97 0.556 16.402 -5.014 1.00 0.00 C ATOM 1519 CD1 LEU A 97 1.960 16.644 -5.573 1.00 0.00 C ATOM 1520 CD2 LEU A 97 0.435 16.844 -3.555 1.00 0.00 C ATOM 0 H LEU A 97 -1.381 14.804 -6.334 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.071 16.729 -4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.284 16.864 -6.928 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.414 18.160 -5.756 1.00 0.00 H new ATOM 0 HG LEU A 97 0.381 15.326 -5.039 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.695 16.151 -4.937 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.024 16.239 -6.583 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.162 17.715 -5.598 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.201 16.347 -2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.569 17.924 -3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.551 16.577 -3.175 1.00 0.00 H new ATOM 1532 N LEU A 98 -3.191 17.495 -7.508 1.00 0.00 N ATOM 1533 CA LEU A 98 -4.141 18.338 -8.214 1.00 0.00 C ATOM 1534 C LEU A 98 -5.558 18.017 -7.734 1.00 0.00 C ATOM 1535 O LEU A 98 -6.299 18.912 -7.333 1.00 0.00 O ATOM 1536 CB LEU A 98 -3.958 18.200 -9.727 1.00 0.00 C ATOM 1537 CG LEU A 98 -3.129 19.293 -10.405 1.00 0.00 C ATOM 1538 CD1 LEU A 98 -1.662 18.874 -10.522 1.00 0.00 C ATOM 1539 CD2 LEU A 98 -3.726 19.673 -11.761 1.00 0.00 C ATOM 0 H LEU A 98 -2.718 16.804 -8.091 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.959 19.389 -7.988 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.489 17.237 -9.930 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.944 18.178 -10.192 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.161 20.184 -9.778 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.094 19.668 -11.007 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.255 18.693 -9.527 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.590 17.962 -11.115 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.118 20.452 -12.221 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.745 18.797 -12.409 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.742 20.042 -11.621 1.00 0.00 H new ATOM 1551 N LEU A 99 -5.891 16.736 -7.791 1.00 0.00 N ATOM 1552 CA LEU A 99 -7.205 16.285 -7.367 1.00 0.00 C ATOM 1553 C LEU A 99 -7.558 16.940 -6.030 1.00 0.00 C ATOM 1554 O LEU A 99 -8.672 16.783 -5.532 1.00 0.00 O ATOM 1555 CB LEU A 99 -7.264 14.756 -7.337 1.00 0.00 C ATOM 1556 CG LEU A 99 -7.983 14.089 -8.511 1.00 0.00 C ATOM 1557 CD1 LEU A 99 -7.003 13.761 -9.639 1.00 0.00 C ATOM 1558 CD2 LEU A 99 -8.759 12.854 -8.049 1.00 0.00 C ATOM 0 H LEU A 99 -5.273 15.996 -8.125 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.964 16.596 -8.085 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.244 14.374 -7.297 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.756 14.449 -6.414 1.00 0.00 H new ATOM 0 HG LEU A 99 -8.711 14.795 -8.911 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -7.540 13.288 -10.461 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.535 14.680 -9.993 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -6.235 13.082 -9.268 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -9.261 12.399 -8.903 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.069 12.135 -7.608 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -9.501 13.147 -7.306 1.00 0.00 H new