USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 579 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 29 CYS SG : rot -4:sc= 0.306 USER MOD Set 1.2: A 30 GLN : amide:sc= 0.632 K(o=0.94,f=-14!) USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 9 LYS NZ :NH3+ -150:sc=-0.000901 (180deg=-0.221) USER MOD Single : A 10 CYS SG : rot -14:sc= -0.954 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= -0.302 X(o=-0.3,f=-0.48) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 38:sc= 0.236 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot 142:sc= -1.27 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 47 SER OG : rot 70:sc= -4.2! USER MOD Single : A 50 CYS SG : rot -150:sc= -3.42! USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.54! USER MOD Single : A 59 THR OG1 : rot -172:sc= -2.6! USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.528 X(o=-0.53,f=-0.27) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 98 N GLN A 7 85.138 0.258 -5.133 1.00 0.00 N ATOM 99 CA GLN A 7 83.979 1.042 -5.648 1.00 0.00 C ATOM 100 C GLN A 7 82.826 0.988 -4.644 1.00 0.00 C ATOM 101 O GLN A 7 82.090 0.023 -4.594 1.00 0.00 O ATOM 102 CB GLN A 7 83.581 0.359 -6.959 1.00 0.00 C ATOM 103 CG GLN A 7 83.605 -1.162 -6.775 1.00 0.00 C ATOM 104 CD GLN A 7 82.710 -1.819 -7.827 1.00 0.00 C ATOM 105 OE1 GLN A 7 82.493 -1.268 -8.889 1.00 0.00 O ATOM 106 NE2 GLN A 7 82.176 -2.984 -7.576 1.00 0.00 N ATOM 0 HA GLN A 7 84.226 2.093 -5.800 1.00 0.00 H new ATOM 0 HB2 GLN A 7 82.585 0.683 -7.262 1.00 0.00 H new ATOM 0 HB3 GLN A 7 84.267 0.650 -7.755 1.00 0.00 H new ATOM 0 HG2 GLN A 7 84.625 -1.534 -6.867 1.00 0.00 H new ATOM 0 HG3 GLN A 7 83.260 -1.423 -5.775 1.00 0.00 H new ATOM 0 HE21 GLN A 7 82.357 -3.447 -6.685 1.00 0.00 H new ATOM 0 HE22 GLN A 7 81.577 -3.431 -8.271 1.00 0.00 H new ATOM 115 N PRO A 8 82.713 2.031 -3.871 1.00 0.00 N ATOM 116 CA PRO A 8 81.644 2.109 -2.847 1.00 0.00 C ATOM 117 C PRO A 8 80.276 2.320 -3.504 1.00 0.00 C ATOM 118 O PRO A 8 80.072 3.260 -4.247 1.00 0.00 O ATOM 119 CB PRO A 8 82.036 3.322 -2.008 1.00 0.00 C ATOM 120 CG PRO A 8 82.874 4.164 -2.917 1.00 0.00 C ATOM 121 CD PRO A 8 83.561 3.227 -3.876 1.00 0.00 C ATOM 0 HA PRO A 8 81.556 1.197 -2.256 1.00 0.00 H new ATOM 0 HB2 PRO A 8 81.156 3.866 -1.665 1.00 0.00 H new ATOM 0 HB3 PRO A 8 82.593 3.025 -1.120 1.00 0.00 H new ATOM 0 HG2 PRO A 8 82.256 4.882 -3.456 1.00 0.00 H new ATOM 0 HG3 PRO A 8 83.605 4.737 -2.347 1.00 0.00 H new ATOM 0 HD2 PRO A 8 83.635 3.660 -4.874 1.00 0.00 H new ATOM 0 HD3 PRO A 8 84.576 2.998 -3.552 1.00 0.00 H new ATOM 129 N LYS A 9 79.338 1.456 -3.229 1.00 0.00 N ATOM 130 CA LYS A 9 77.983 1.609 -3.828 1.00 0.00 C ATOM 131 C LYS A 9 77.170 2.619 -3.014 1.00 0.00 C ATOM 132 O LYS A 9 77.463 2.879 -1.864 1.00 0.00 O ATOM 133 CB LYS A 9 77.352 0.218 -3.743 1.00 0.00 C ATOM 134 CG LYS A 9 77.542 -0.515 -5.073 1.00 0.00 C ATOM 135 CD LYS A 9 76.175 -0.908 -5.639 1.00 0.00 C ATOM 136 CE LYS A 9 75.504 -1.916 -4.702 1.00 0.00 C ATOM 137 NZ LYS A 9 76.160 -3.221 -5.001 1.00 0.00 N ATOM 0 H LYS A 9 79.452 0.650 -2.615 1.00 0.00 H new ATOM 0 HA LYS A 9 78.018 1.974 -4.854 1.00 0.00 H new ATOM 0 HB2 LYS A 9 77.810 -0.351 -2.934 1.00 0.00 H new ATOM 0 HB3 LYS A 9 76.290 0.303 -3.512 1.00 0.00 H new ATOM 0 HG2 LYS A 9 78.070 0.124 -5.780 1.00 0.00 H new ATOM 0 HG3 LYS A 9 78.156 -1.404 -4.926 1.00 0.00 H new ATOM 0 HD2 LYS A 9 75.547 -0.024 -5.749 1.00 0.00 H new ATOM 0 HD3 LYS A 9 76.292 -1.341 -6.632 1.00 0.00 H new ATOM 0 HE2 LYS A 9 75.642 -1.636 -3.658 1.00 0.00 H new ATOM 0 HE3 LYS A 9 74.430 -1.965 -4.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 75.487 -3.995 -4.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 76.460 -3.239 -5.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 76.991 -3.341 -4.387 1.00 0.00 H new ATOM 151 N CYS A 10 76.155 3.194 -3.597 1.00 0.00 N ATOM 152 CA CYS A 10 75.336 4.187 -2.846 1.00 0.00 C ATOM 153 C CYS A 10 73.850 3.824 -2.922 1.00 0.00 C ATOM 154 O CYS A 10 73.396 3.219 -3.873 1.00 0.00 O ATOM 155 CB CYS A 10 75.599 5.523 -3.542 1.00 0.00 C ATOM 156 SG CYS A 10 75.463 6.869 -2.338 1.00 0.00 S ATOM 0 H CYS A 10 75.858 3.020 -4.557 1.00 0.00 H new ATOM 0 HA CYS A 10 75.597 4.218 -1.788 1.00 0.00 H new ATOM 0 HB2 CYS A 10 76.592 5.522 -3.991 1.00 0.00 H new ATOM 0 HB3 CYS A 10 74.883 5.671 -4.351 1.00 0.00 H new ATOM 0 HG CYS A 10 74.894 6.427 -1.256 1.00 0.00 H new ATOM 162 N VAL A 11 73.090 4.194 -1.928 1.00 0.00 N ATOM 163 CA VAL A 11 71.634 3.876 -1.942 1.00 0.00 C ATOM 164 C VAL A 11 70.834 5.063 -1.398 1.00 0.00 C ATOM 165 O VAL A 11 71.323 5.838 -0.599 1.00 0.00 O ATOM 166 CB VAL A 11 71.476 2.657 -1.028 1.00 0.00 C ATOM 167 CG1 VAL A 11 72.576 1.638 -1.336 1.00 0.00 C ATOM 168 CG2 VAL A 11 71.585 3.097 0.436 1.00 0.00 C ATOM 0 H VAL A 11 73.415 4.703 -1.106 1.00 0.00 H new ATOM 0 HA VAL A 11 71.266 3.674 -2.948 1.00 0.00 H new ATOM 0 HB VAL A 11 70.501 2.201 -1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 11 72.462 0.771 -0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 11 72.499 1.323 -2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 11 73.552 2.093 -1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 11 71.472 2.229 1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 11 72.559 3.554 0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 11 70.801 3.821 0.658 1.00 0.00 H new ATOM 178 N LYS A 12 69.609 5.208 -1.815 1.00 0.00 N ATOM 179 CA LYS A 12 68.784 6.341 -1.313 1.00 0.00 C ATOM 180 C LYS A 12 67.677 5.811 -0.402 1.00 0.00 C ATOM 181 O LYS A 12 66.657 5.335 -0.860 1.00 0.00 O ATOM 182 CB LYS A 12 68.187 6.984 -2.566 1.00 0.00 C ATOM 183 CG LYS A 12 69.293 7.213 -3.596 1.00 0.00 C ATOM 184 CD LYS A 12 69.438 8.712 -3.862 1.00 0.00 C ATOM 185 CE LYS A 12 70.885 9.025 -4.246 1.00 0.00 C ATOM 186 NZ LYS A 12 70.791 10.156 -5.209 1.00 0.00 N ATOM 0 H LYS A 12 69.143 4.592 -2.481 1.00 0.00 H new ATOM 0 HA LYS A 12 69.366 7.055 -0.731 1.00 0.00 H new ATOM 0 HB2 LYS A 12 67.413 6.341 -2.984 1.00 0.00 H new ATOM 0 HB3 LYS A 12 67.711 7.931 -2.311 1.00 0.00 H new ATOM 0 HG2 LYS A 12 70.235 6.805 -3.231 1.00 0.00 H new ATOM 0 HG3 LYS A 12 69.056 6.689 -4.522 1.00 0.00 H new ATOM 0 HD2 LYS A 12 68.764 9.017 -4.663 1.00 0.00 H new ATOM 0 HD3 LYS A 12 69.155 9.278 -2.975 1.00 0.00 H new ATOM 0 HE2 LYS A 12 71.475 9.299 -3.371 1.00 0.00 H new ATOM 0 HE3 LYS A 12 71.369 8.160 -4.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 71.746 10.428 -5.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 70.229 9.864 -6.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 70.332 10.967 -4.748 1.00 0.00 H new ATOM 200 N LEU A 13 67.870 5.880 0.886 1.00 0.00 N ATOM 201 CA LEU A 13 66.829 5.367 1.819 1.00 0.00 C ATOM 202 C LEU A 13 65.729 6.412 2.030 1.00 0.00 C ATOM 203 O LEU A 13 65.784 7.213 2.941 1.00 0.00 O ATOM 204 CB LEU A 13 67.570 5.090 3.127 1.00 0.00 C ATOM 205 CG LEU A 13 67.360 3.630 3.534 1.00 0.00 C ATOM 206 CD1 LEU A 13 68.555 2.792 3.075 1.00 0.00 C ATOM 207 CD2 LEU A 13 67.231 3.540 5.056 1.00 0.00 C ATOM 0 H LEU A 13 68.701 6.268 1.332 1.00 0.00 H new ATOM 0 HA LEU A 13 66.337 4.475 1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 13 68.634 5.295 3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 13 67.205 5.753 3.911 1.00 0.00 H new ATOM 0 HG LEU A 13 66.451 3.251 3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 13 68.404 1.752 3.366 1.00 0.00 H new ATOM 0 HD12 LEU A 13 68.649 2.856 1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 13 69.465 3.170 3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 13 67.081 2.500 5.348 1.00 0.00 H new ATOM 0 HD22 LEU A 13 68.140 3.920 5.521 1.00 0.00 H new ATOM 0 HD23 LEU A 13 66.379 4.135 5.385 1.00 0.00 H new ATOM 219 N ARG A 14 64.722 6.397 1.199 1.00 0.00 N ATOM 220 CA ARG A 14 63.602 7.371 1.353 1.00 0.00 C ATOM 221 C ARG A 14 62.476 6.709 2.151 1.00 0.00 C ATOM 222 O ARG A 14 62.383 5.502 2.206 1.00 0.00 O ATOM 223 CB ARG A 14 63.166 7.691 -0.087 1.00 0.00 C ATOM 224 CG ARG A 14 61.679 8.067 -0.139 1.00 0.00 C ATOM 225 CD ARG A 14 61.474 9.463 0.451 1.00 0.00 C ATOM 226 NE ARG A 14 60.034 9.510 0.827 1.00 0.00 N ATOM 227 CZ ARG A 14 59.303 10.538 0.488 1.00 0.00 C ATOM 228 NH1 ARG A 14 59.494 11.125 -0.661 1.00 0.00 N ATOM 229 NH2 ARG A 14 58.380 10.978 1.300 1.00 0.00 N ATOM 0 H ARG A 14 64.626 5.750 0.417 1.00 0.00 H new ATOM 0 HA ARG A 14 63.880 8.279 1.889 1.00 0.00 H new ATOM 0 HB2 ARG A 14 63.767 8.512 -0.479 1.00 0.00 H new ATOM 0 HB3 ARG A 14 63.349 6.828 -0.727 1.00 0.00 H new ATOM 0 HG2 ARG A 14 61.325 8.043 -1.170 1.00 0.00 H new ATOM 0 HG3 ARG A 14 61.091 7.337 0.418 1.00 0.00 H new ATOM 0 HD2 ARG A 14 62.115 9.624 1.318 1.00 0.00 H new ATOM 0 HD3 ARG A 14 61.719 10.239 -0.274 1.00 0.00 H new ATOM 0 HE ARG A 14 59.618 8.739 1.350 1.00 0.00 H new ATOM 0 HH11 ARG A 14 60.215 10.781 -1.296 1.00 0.00 H new ATOM 0 HH12 ARG A 14 58.923 11.928 -0.925 1.00 0.00 H new ATOM 0 HH21 ARG A 14 58.230 10.519 2.198 1.00 0.00 H new ATOM 0 HH22 ARG A 14 57.809 11.781 1.036 1.00 0.00 H new ATOM 243 N ALA A 15 61.627 7.476 2.777 1.00 0.00 N ATOM 244 CA ALA A 15 60.527 6.853 3.568 1.00 0.00 C ATOM 245 C ALA A 15 59.195 7.556 3.294 1.00 0.00 C ATOM 246 O ALA A 15 59.127 8.766 3.197 1.00 0.00 O ATOM 247 CB ALA A 15 60.938 7.035 5.030 1.00 0.00 C ATOM 0 H ALA A 15 61.645 8.496 2.776 1.00 0.00 H new ATOM 0 HA ALA A 15 60.384 5.804 3.308 1.00 0.00 H new ATOM 0 HB1 ALA A 15 60.177 6.601 5.679 1.00 0.00 H new ATOM 0 HB2 ALA A 15 61.891 6.536 5.205 1.00 0.00 H new ATOM 0 HB3 ALA A 15 61.039 8.098 5.250 1.00 0.00 H new ATOM 253 N LEU A 16 58.136 6.804 3.177 1.00 0.00 N ATOM 254 CA LEU A 16 56.805 7.424 2.918 1.00 0.00 C ATOM 255 C LEU A 16 56.265 8.048 4.207 1.00 0.00 C ATOM 256 O LEU A 16 55.419 8.919 4.180 1.00 0.00 O ATOM 257 CB LEU A 16 55.909 6.272 2.461 1.00 0.00 C ATOM 258 CG LEU A 16 55.611 6.421 0.969 1.00 0.00 C ATOM 259 CD1 LEU A 16 55.019 5.116 0.433 1.00 0.00 C ATOM 260 CD2 LEU A 16 54.606 7.556 0.763 1.00 0.00 C ATOM 0 H LEU A 16 58.134 5.787 3.249 1.00 0.00 H new ATOM 0 HA LEU A 16 56.853 8.217 2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 16 56.400 5.318 2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 16 54.980 6.272 3.030 1.00 0.00 H new ATOM 0 HG LEU A 16 56.534 6.648 0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 16 54.807 5.223 -0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 16 55.732 4.305 0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 16 54.096 4.889 0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 16 54.392 7.664 -0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 16 53.684 7.327 1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 16 55.025 8.487 1.145 1.00 0.00 H new ATOM 272 N HIS A 17 56.754 7.613 5.336 1.00 0.00 N ATOM 273 CA HIS A 17 56.276 8.185 6.625 1.00 0.00 C ATOM 274 C HIS A 17 56.962 9.530 6.879 1.00 0.00 C ATOM 275 O HIS A 17 56.695 10.202 7.856 1.00 0.00 O ATOM 276 CB HIS A 17 56.686 7.163 7.686 1.00 0.00 C ATOM 277 CG HIS A 17 55.562 6.978 8.668 1.00 0.00 C ATOM 278 ND1 HIS A 17 54.591 7.946 8.873 1.00 0.00 N ATOM 279 CD2 HIS A 17 55.238 5.940 9.506 1.00 0.00 C ATOM 280 CE1 HIS A 17 53.739 7.475 9.801 1.00 0.00 C ATOM 281 NE2 HIS A 17 54.088 6.256 10.221 1.00 0.00 N ATOM 0 H HIS A 17 57.464 6.886 5.421 1.00 0.00 H new ATOM 0 HA HIS A 17 55.201 8.365 6.631 1.00 0.00 H new ATOM 0 HB2 HIS A 17 56.930 6.211 7.214 1.00 0.00 H new ATOM 0 HB3 HIS A 17 57.583 7.501 8.204 1.00 0.00 H new ATOM 0 HD2 HIS A 17 55.792 5.018 9.596 1.00 0.00 H new ATOM 0 HE1 HIS A 17 52.877 8.017 10.163 1.00 0.00 H new ATOM 0 HE2 HIS A 17 53.613 5.681 10.917 1.00 0.00 H new ATOM 289 N SER A 18 57.842 9.927 6.000 1.00 0.00 N ATOM 290 CA SER A 18 58.547 11.228 6.178 1.00 0.00 C ATOM 291 C SER A 18 59.028 11.747 4.821 1.00 0.00 C ATOM 292 O SER A 18 59.523 11.000 4.000 1.00 0.00 O ATOM 293 CB SER A 18 59.735 10.915 7.086 1.00 0.00 C ATOM 294 OG SER A 18 60.146 12.104 7.745 1.00 0.00 O ATOM 0 H SER A 18 58.103 9.404 5.164 1.00 0.00 H new ATOM 0 HA SER A 18 57.903 11.996 6.606 1.00 0.00 H new ATOM 0 HB2 SER A 18 59.458 10.156 7.818 1.00 0.00 H new ATOM 0 HB3 SER A 18 60.558 10.507 6.500 1.00 0.00 H new ATOM 0 HG SER A 18 60.907 11.907 8.330 1.00 0.00 H new ATOM 300 N ALA A 19 58.885 13.020 4.577 1.00 0.00 N ATOM 301 CA ALA A 19 59.332 13.583 3.270 1.00 0.00 C ATOM 302 C ALA A 19 60.856 13.710 3.243 1.00 0.00 C ATOM 303 O ALA A 19 61.396 14.762 2.966 1.00 0.00 O ATOM 304 CB ALA A 19 58.679 14.963 3.191 1.00 0.00 C ATOM 0 H ALA A 19 58.479 13.695 5.225 1.00 0.00 H new ATOM 0 HA ALA A 19 59.051 12.949 2.429 1.00 0.00 H new ATOM 0 HB1 ALA A 19 58.959 15.445 2.255 1.00 0.00 H new ATOM 0 HB2 ALA A 19 57.595 14.856 3.233 1.00 0.00 H new ATOM 0 HB3 ALA A 19 59.016 15.574 4.029 1.00 0.00 H new ATOM 310 N CYS A 20 61.556 12.647 3.530 1.00 0.00 N ATOM 311 CA CYS A 20 63.045 12.716 3.521 1.00 0.00 C ATOM 312 C CYS A 20 63.646 11.341 3.222 1.00 0.00 C ATOM 313 O CYS A 20 62.969 10.331 3.255 1.00 0.00 O ATOM 314 CB CYS A 20 63.424 13.169 4.931 1.00 0.00 C ATOM 315 SG CYS A 20 63.796 14.941 4.918 1.00 0.00 S ATOM 0 H CYS A 20 61.163 11.737 3.770 1.00 0.00 H new ATOM 0 HA CYS A 20 63.420 13.394 2.754 1.00 0.00 H new ATOM 0 HB2 CYS A 20 62.607 12.963 5.622 1.00 0.00 H new ATOM 0 HB3 CYS A 20 64.289 12.608 5.284 1.00 0.00 H new ATOM 0 HG CYS A 20 62.984 15.549 4.105 1.00 0.00 H new ATOM 321 N LYS A 21 64.919 11.299 2.933 1.00 0.00 N ATOM 322 CA LYS A 21 65.583 9.998 2.636 1.00 0.00 C ATOM 323 C LYS A 21 67.045 10.056 3.085 1.00 0.00 C ATOM 324 O LYS A 21 67.591 11.119 3.305 1.00 0.00 O ATOM 325 CB LYS A 21 65.488 9.839 1.116 1.00 0.00 C ATOM 326 CG LYS A 21 66.340 10.910 0.436 1.00 0.00 C ATOM 327 CD LYS A 21 65.544 11.542 -0.709 1.00 0.00 C ATOM 328 CE LYS A 21 66.228 11.227 -2.042 1.00 0.00 C ATOM 329 NZ LYS A 21 66.670 12.547 -2.569 1.00 0.00 N ATOM 0 H LYS A 21 65.530 12.115 2.890 1.00 0.00 H new ATOM 0 HA LYS A 21 65.118 9.160 3.155 1.00 0.00 H new ATOM 0 HB2 LYS A 21 65.830 8.847 0.822 1.00 0.00 H new ATOM 0 HB3 LYS A 21 64.450 9.927 0.795 1.00 0.00 H new ATOM 0 HG2 LYS A 21 66.628 11.674 1.158 1.00 0.00 H new ATOM 0 HG3 LYS A 21 67.261 10.469 0.054 1.00 0.00 H new ATOM 0 HD2 LYS A 21 64.524 11.158 -0.712 1.00 0.00 H new ATOM 0 HD3 LYS A 21 65.478 12.621 -0.568 1.00 0.00 H new ATOM 0 HE2 LYS A 21 67.074 10.554 -1.902 1.00 0.00 H new ATOM 0 HE3 LYS A 21 65.541 10.736 -2.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 67.149 12.413 -3.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 65.843 13.164 -2.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 67.328 12.987 -1.895 1.00 0.00 H new ATOM 343 N PHE A 22 67.684 8.930 3.234 1.00 0.00 N ATOM 344 CA PHE A 22 69.107 8.947 3.679 1.00 0.00 C ATOM 345 C PHE A 22 70.026 8.390 2.590 1.00 0.00 C ATOM 346 O PHE A 22 70.337 7.215 2.569 1.00 0.00 O ATOM 347 CB PHE A 22 69.149 8.050 4.917 1.00 0.00 C ATOM 348 CG PHE A 22 70.583 7.867 5.353 1.00 0.00 C ATOM 349 CD1 PHE A 22 71.482 8.938 5.271 1.00 0.00 C ATOM 350 CD2 PHE A 22 71.016 6.626 5.838 1.00 0.00 C ATOM 351 CE1 PHE A 22 72.812 8.769 5.675 1.00 0.00 C ATOM 352 CE2 PHE A 22 72.346 6.457 6.242 1.00 0.00 C ATOM 353 CZ PHE A 22 73.244 7.529 6.160 1.00 0.00 C ATOM 0 H PHE A 22 67.288 8.005 3.069 1.00 0.00 H new ATOM 0 HA PHE A 22 69.450 9.960 3.890 1.00 0.00 H new ATOM 0 HB2 PHE A 22 68.566 8.496 5.723 1.00 0.00 H new ATOM 0 HB3 PHE A 22 68.698 7.083 4.695 1.00 0.00 H new ATOM 0 HD1 PHE A 22 71.149 9.895 4.896 1.00 0.00 H new ATOM 0 HD2 PHE A 22 70.324 5.799 5.900 1.00 0.00 H new ATOM 0 HE1 PHE A 22 73.505 9.595 5.612 1.00 0.00 H new ATOM 0 HE2 PHE A 22 72.679 5.501 6.617 1.00 0.00 H new ATOM 0 HZ PHE A 22 74.270 7.399 6.471 1.00 0.00 H new ATOM 363 N GLY A 23 70.478 9.224 1.694 1.00 0.00 N ATOM 364 CA GLY A 23 71.393 8.735 0.625 1.00 0.00 C ATOM 365 C GLY A 23 72.712 8.318 1.271 1.00 0.00 C ATOM 366 O GLY A 23 73.579 9.133 1.518 1.00 0.00 O ATOM 0 H GLY A 23 70.254 10.218 1.656 1.00 0.00 H new ATOM 0 HA2 GLY A 23 70.945 7.892 0.099 1.00 0.00 H new ATOM 0 HA3 GLY A 23 71.564 9.517 -0.115 1.00 0.00 H new ATOM 370 N VAL A 24 72.867 7.057 1.566 1.00 0.00 N ATOM 371 CA VAL A 24 74.127 6.594 2.217 1.00 0.00 C ATOM 372 C VAL A 24 74.978 5.778 1.241 1.00 0.00 C ATOM 373 O VAL A 24 74.476 5.177 0.313 1.00 0.00 O ATOM 374 CB VAL A 24 73.665 5.725 3.389 1.00 0.00 C ATOM 375 CG1 VAL A 24 73.168 4.374 2.869 1.00 0.00 C ATOM 376 CG2 VAL A 24 74.836 5.498 4.349 1.00 0.00 C ATOM 0 H VAL A 24 72.178 6.327 1.385 1.00 0.00 H new ATOM 0 HA VAL A 24 74.750 7.428 2.542 1.00 0.00 H new ATOM 0 HB VAL A 24 72.854 6.231 3.912 1.00 0.00 H new ATOM 0 HG11 VAL A 24 72.840 3.760 3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 24 72.333 4.532 2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 24 73.976 3.867 2.342 1.00 0.00 H new ATOM 0 HG21 VAL A 24 74.507 4.879 5.184 1.00 0.00 H new ATOM 0 HG22 VAL A 24 75.647 4.995 3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 24 75.189 6.458 4.726 1.00 0.00 H new ATOM 386 N ALA A 25 76.266 5.750 1.452 1.00 0.00 N ATOM 387 CA ALA A 25 77.156 4.970 0.546 1.00 0.00 C ATOM 388 C ALA A 25 77.985 3.976 1.362 1.00 0.00 C ATOM 389 O ALA A 25 78.057 4.060 2.572 1.00 0.00 O ATOM 390 CB ALA A 25 78.062 6.009 -0.115 1.00 0.00 C ATOM 0 H ALA A 25 76.741 6.234 2.214 1.00 0.00 H new ATOM 0 HA ALA A 25 76.597 4.394 -0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 25 78.749 5.510 -0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 25 77.453 6.723 -0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 25 78.632 6.535 0.651 1.00 0.00 H new ATOM 396 N ALA A 26 78.612 3.035 0.712 1.00 0.00 N ATOM 397 CA ALA A 26 79.433 2.039 1.457 1.00 0.00 C ATOM 398 C ALA A 26 79.959 0.963 0.504 1.00 0.00 C ATOM 399 O ALA A 26 79.316 0.610 -0.464 1.00 0.00 O ATOM 400 CB ALA A 26 78.475 1.426 2.479 1.00 0.00 C ATOM 0 H ALA A 26 78.592 2.912 -0.300 1.00 0.00 H new ATOM 0 HA ALA A 26 80.303 2.494 1.931 1.00 0.00 H new ATOM 0 HB1 ALA A 26 79.004 0.679 3.071 1.00 0.00 H new ATOM 0 HB2 ALA A 26 78.095 2.208 3.137 1.00 0.00 H new ATOM 0 HB3 ALA A 26 77.642 0.953 1.959 1.00 0.00 H new ATOM 406 N ARG A 27 81.122 0.437 0.773 1.00 0.00 N ATOM 407 CA ARG A 27 81.683 -0.618 -0.118 1.00 0.00 C ATOM 408 C ARG A 27 80.832 -1.886 -0.029 1.00 0.00 C ATOM 409 O ARG A 27 80.368 -2.405 -1.026 1.00 0.00 O ATOM 410 CB ARG A 27 83.093 -0.878 0.412 1.00 0.00 C ATOM 411 CG ARG A 27 83.910 0.413 0.342 1.00 0.00 C ATOM 412 CD ARG A 27 85.312 0.102 -0.185 1.00 0.00 C ATOM 413 NE ARG A 27 86.160 -0.026 1.031 1.00 0.00 N ATOM 414 CZ ARG A 27 87.275 0.646 1.126 1.00 0.00 C ATOM 415 NH1 ARG A 27 87.251 1.950 1.169 1.00 0.00 N ATOM 416 NH2 ARG A 27 88.416 0.013 1.176 1.00 0.00 N ATOM 0 H ARG A 27 81.707 0.691 1.569 1.00 0.00 H new ATOM 0 HA ARG A 27 81.694 -0.314 -1.165 1.00 0.00 H new ATOM 0 HB2 ARG A 27 83.046 -1.236 1.440 1.00 0.00 H new ATOM 0 HB3 ARG A 27 83.576 -1.659 -0.176 1.00 0.00 H new ATOM 0 HG2 ARG A 27 83.416 1.133 -0.310 1.00 0.00 H new ATOM 0 HG3 ARG A 27 83.974 0.869 1.330 1.00 0.00 H new ATOM 0 HD2 ARG A 27 85.319 -0.818 -0.770 1.00 0.00 H new ATOM 0 HD3 ARG A 27 85.674 0.897 -0.837 1.00 0.00 H new ATOM 0 HE ARG A 27 85.869 -0.640 1.792 1.00 0.00 H new ATOM 0 HH11 ARG A 27 86.360 2.445 1.128 1.00 0.00 H new ATOM 0 HH12 ARG A 27 88.123 2.474 1.243 1.00 0.00 H new ATOM 0 HH21 ARG A 27 88.436 -1.006 1.141 1.00 0.00 H new ATOM 0 HH22 ARG A 27 89.288 0.538 1.250 1.00 0.00 H new ATOM 430 N SER A 28 80.621 -2.388 1.157 1.00 0.00 N ATOM 431 CA SER A 28 79.796 -3.621 1.309 1.00 0.00 C ATOM 432 C SER A 28 78.309 -3.260 1.340 1.00 0.00 C ATOM 433 O SER A 28 77.774 -2.891 2.368 1.00 0.00 O ATOM 434 CB SER A 28 80.228 -4.222 2.647 1.00 0.00 C ATOM 435 OG SER A 28 81.589 -4.623 2.565 1.00 0.00 O ATOM 0 H SER A 28 80.984 -1.998 2.027 1.00 0.00 H new ATOM 0 HA SER A 28 79.937 -4.318 0.483 1.00 0.00 H new ATOM 0 HB2 SER A 28 80.100 -3.491 3.445 1.00 0.00 H new ATOM 0 HB3 SER A 28 79.599 -5.077 2.894 1.00 0.00 H new ATOM 0 HG SER A 28 81.869 -5.007 3.422 1.00 0.00 H new ATOM 441 N CYS A 29 77.638 -3.364 0.224 1.00 0.00 N ATOM 442 CA CYS A 29 76.185 -3.026 0.192 1.00 0.00 C ATOM 443 C CYS A 29 75.490 -3.573 1.441 1.00 0.00 C ATOM 444 O CYS A 29 74.529 -3.010 1.925 1.00 0.00 O ATOM 445 CB CYS A 29 75.643 -3.706 -1.064 1.00 0.00 C ATOM 446 SG CYS A 29 76.182 -5.433 -1.095 1.00 0.00 S ATOM 0 H CYS A 29 78.033 -3.668 -0.666 1.00 0.00 H new ATOM 0 HA CYS A 29 76.013 -1.950 0.176 1.00 0.00 H new ATOM 0 HB2 CYS A 29 74.554 -3.653 -1.078 1.00 0.00 H new ATOM 0 HB3 CYS A 29 75.999 -3.187 -1.954 1.00 0.00 H new ATOM 0 HG CYS A 29 76.974 -5.659 -0.089 1.00 0.00 H new ATOM 452 N GLN A 30 75.974 -4.663 1.970 1.00 0.00 N ATOM 453 CA GLN A 30 75.343 -5.236 3.191 1.00 0.00 C ATOM 454 C GLN A 30 75.287 -4.174 4.290 1.00 0.00 C ATOM 455 O GLN A 30 74.427 -4.195 5.146 1.00 0.00 O ATOM 456 CB GLN A 30 76.253 -6.394 3.602 1.00 0.00 C ATOM 457 CG GLN A 30 75.968 -7.607 2.715 1.00 0.00 C ATOM 458 CD GLN A 30 76.808 -7.516 1.440 1.00 0.00 C ATOM 459 OE1 GLN A 30 77.454 -6.516 1.194 1.00 0.00 O ATOM 460 NE2 GLN A 30 76.830 -8.526 0.614 1.00 0.00 N ATOM 0 H GLN A 30 76.777 -5.180 1.611 1.00 0.00 H new ATOM 0 HA GLN A 30 74.321 -5.571 3.017 1.00 0.00 H new ATOM 0 HB2 GLN A 30 77.298 -6.100 3.509 1.00 0.00 H new ATOM 0 HB3 GLN A 30 76.086 -6.648 4.649 1.00 0.00 H new ATOM 0 HG2 GLN A 30 76.201 -8.526 3.252 1.00 0.00 H new ATOM 0 HG3 GLN A 30 74.908 -7.645 2.463 1.00 0.00 H new ATOM 0 HE21 GLN A 30 76.288 -9.365 0.820 1.00 0.00 H new ATOM 0 HE22 GLN A 30 77.389 -8.476 -0.238 1.00 0.00 H new ATOM 469 N GLU A 31 76.196 -3.239 4.263 1.00 0.00 N ATOM 470 CA GLU A 31 76.195 -2.167 5.297 1.00 0.00 C ATOM 471 C GLU A 31 75.090 -1.157 4.990 1.00 0.00 C ATOM 472 O GLU A 31 74.356 -0.736 5.861 1.00 0.00 O ATOM 473 CB GLU A 31 77.572 -1.512 5.194 1.00 0.00 C ATOM 474 CG GLU A 31 78.386 -1.835 6.448 1.00 0.00 C ATOM 475 CD GLU A 31 79.338 -2.996 6.156 1.00 0.00 C ATOM 476 OE1 GLU A 31 80.352 -2.758 5.520 1.00 0.00 O ATOM 477 OE2 GLU A 31 79.038 -4.103 6.573 1.00 0.00 O ATOM 0 H GLU A 31 76.940 -3.171 3.569 1.00 0.00 H new ATOM 0 HA GLU A 31 76.009 -2.552 6.300 1.00 0.00 H new ATOM 0 HB2 GLU A 31 78.093 -1.873 4.307 1.00 0.00 H new ATOM 0 HB3 GLU A 31 77.466 -0.433 5.085 1.00 0.00 H new ATOM 0 HG2 GLU A 31 78.952 -0.958 6.763 1.00 0.00 H new ATOM 0 HG3 GLU A 31 77.719 -2.096 7.270 1.00 0.00 H new ATOM 484 N LEU A 32 74.961 -0.774 3.751 1.00 0.00 N ATOM 485 CA LEU A 32 73.897 0.200 3.378 1.00 0.00 C ATOM 486 C LEU A 32 72.529 -0.350 3.787 1.00 0.00 C ATOM 487 O LEU A 32 71.692 0.360 4.310 1.00 0.00 O ATOM 488 CB LEU A 32 73.993 0.331 1.858 1.00 0.00 C ATOM 489 CG LEU A 32 75.314 1.004 1.482 1.00 0.00 C ATOM 490 CD1 LEU A 32 75.757 0.523 0.100 1.00 0.00 C ATOM 491 CD2 LEU A 32 75.125 2.521 1.455 1.00 0.00 C ATOM 0 H LEU A 32 75.547 -1.093 2.979 1.00 0.00 H new ATOM 0 HA LEU A 32 74.019 1.163 3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 32 73.930 -0.653 1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 32 73.155 0.916 1.480 1.00 0.00 H new ATOM 0 HG LEU A 32 76.074 0.745 2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 32 76.698 1.003 -0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 32 75.893 -0.558 0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 32 74.996 0.781 -0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 32 76.067 3.000 1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 32 74.364 2.780 0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 32 74.810 2.866 2.440 1.00 0.00 H new ATOM 503 N LEU A 33 72.301 -1.615 3.558 1.00 0.00 N ATOM 504 CA LEU A 33 70.993 -2.219 3.940 1.00 0.00 C ATOM 505 C LEU A 33 70.858 -2.240 5.464 1.00 0.00 C ATOM 506 O LEU A 33 69.954 -1.653 6.024 1.00 0.00 O ATOM 507 CB LEU A 33 71.035 -3.641 3.381 1.00 0.00 C ATOM 508 CG LEU A 33 71.123 -3.588 1.855 1.00 0.00 C ATOM 509 CD1 LEU A 33 71.062 -5.009 1.290 1.00 0.00 C ATOM 510 CD2 LEU A 33 69.951 -2.771 1.304 1.00 0.00 C ATOM 0 H LEU A 33 72.964 -2.256 3.123 1.00 0.00 H new ATOM 0 HA LEU A 33 70.143 -1.658 3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 33 71.893 -4.177 3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 33 70.143 -4.189 3.685 1.00 0.00 H new ATOM 0 HG LEU A 33 72.063 -3.120 1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 33 71.125 -4.971 0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 33 71.895 -5.592 1.681 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.122 -5.477 1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 33 70.013 -2.733 0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 33 69.011 -3.239 1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 33 69.993 -1.758 1.705 1.00 0.00 H new ATOM 522 N ARG A 34 71.754 -2.906 6.140 1.00 0.00 N ATOM 523 CA ARG A 34 71.675 -2.953 7.628 1.00 0.00 C ATOM 524 C ARG A 34 71.615 -1.533 8.188 1.00 0.00 C ATOM 525 O ARG A 34 70.596 -1.090 8.682 1.00 0.00 O ATOM 526 CB ARG A 34 72.961 -3.651 8.073 1.00 0.00 C ATOM 527 CG ARG A 34 72.608 -4.936 8.827 1.00 0.00 C ATOM 528 CD ARG A 34 73.011 -6.148 7.985 1.00 0.00 C ATOM 529 NE ARG A 34 74.500 -6.153 8.003 1.00 0.00 N ATOM 530 CZ ARG A 34 75.159 -6.902 7.163 1.00 0.00 C ATOM 531 NH1 ARG A 34 74.537 -7.843 6.505 1.00 0.00 N ATOM 532 NH2 ARG A 34 76.437 -6.713 6.979 1.00 0.00 N ATOM 0 H ARG A 34 72.534 -3.418 5.728 1.00 0.00 H new ATOM 0 HA ARG A 34 70.787 -3.477 7.982 1.00 0.00 H new ATOM 0 HB2 ARG A 34 73.580 -3.883 7.207 1.00 0.00 H new ATOM 0 HB3 ARG A 34 73.544 -2.989 8.713 1.00 0.00 H new ATOM 0 HG2 ARG A 34 73.123 -4.960 9.788 1.00 0.00 H new ATOM 0 HG3 ARG A 34 71.539 -4.965 9.037 1.00 0.00 H new ATOM 0 HD2 ARG A 34 72.608 -7.070 8.403 1.00 0.00 H new ATOM 0 HD3 ARG A 34 72.629 -6.066 6.967 1.00 0.00 H new ATOM 0 HE ARG A 34 75.004 -5.571 8.672 1.00 0.00 H new ATOM 0 HH11 ARG A 34 73.538 -7.991 6.649 1.00 0.00 H new ATOM 0 HH12 ARG A 34 75.050 -8.430 5.847 1.00 0.00 H new ATOM 0 HH21 ARG A 34 76.923 -5.978 7.493 1.00 0.00 H new ATOM 0 HH22 ARG A 34 76.950 -7.300 6.321 1.00 0.00 H new ATOM 546 N LYS A 35 72.697 -0.813 8.106 1.00 0.00 N ATOM 547 CA LYS A 35 72.703 0.583 8.625 1.00 0.00 C ATOM 548 C LYS A 35 71.463 1.324 8.123 1.00 0.00 C ATOM 549 O LYS A 35 71.007 2.275 8.726 1.00 0.00 O ATOM 550 CB LYS A 35 73.970 1.217 8.052 1.00 0.00 C ATOM 551 CG LYS A 35 75.201 0.628 8.743 1.00 0.00 C ATOM 552 CD LYS A 35 76.393 0.679 7.787 1.00 0.00 C ATOM 553 CE LYS A 35 76.801 2.136 7.557 1.00 0.00 C ATOM 554 NZ LYS A 35 77.531 2.131 6.259 1.00 0.00 N ATOM 0 H LYS A 35 73.578 -1.130 7.702 1.00 0.00 H new ATOM 0 HA LYS A 35 72.688 0.622 9.714 1.00 0.00 H new ATOM 0 HB2 LYS A 35 74.024 1.038 6.978 1.00 0.00 H new ATOM 0 HB3 LYS A 35 73.944 2.297 8.194 1.00 0.00 H new ATOM 0 HG2 LYS A 35 75.425 1.188 9.651 1.00 0.00 H new ATOM 0 HG3 LYS A 35 75.005 -0.401 9.043 1.00 0.00 H new ATOM 0 HD2 LYS A 35 77.230 0.117 8.202 1.00 0.00 H new ATOM 0 HD3 LYS A 35 76.132 0.209 6.839 1.00 0.00 H new ATOM 0 HE2 LYS A 35 75.929 2.789 7.517 1.00 0.00 H new ATOM 0 HE3 LYS A 35 77.435 2.501 8.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 77.843 3.097 6.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 78.360 1.507 6.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 76.900 1.786 5.507 1.00 0.00 H new ATOM 568 N GLY A 36 70.914 0.889 7.022 1.00 0.00 N ATOM 569 CA GLY A 36 69.701 1.561 6.479 1.00 0.00 C ATOM 570 C GLY A 36 68.495 1.200 7.346 1.00 0.00 C ATOM 571 O GLY A 36 67.789 2.060 7.831 1.00 0.00 O ATOM 0 H GLY A 36 71.253 0.097 6.476 1.00 0.00 H new ATOM 0 HA2 GLY A 36 69.844 2.641 6.466 1.00 0.00 H new ATOM 0 HA3 GLY A 36 69.529 1.250 5.449 1.00 0.00 H new ATOM 575 N CYS A 37 68.258 -0.067 7.550 1.00 0.00 N ATOM 576 CA CYS A 37 67.100 -0.476 8.395 1.00 0.00 C ATOM 577 C CYS A 37 67.337 -0.041 9.842 1.00 0.00 C ATOM 578 O CYS A 37 66.445 -0.074 10.665 1.00 0.00 O ATOM 579 CB CYS A 37 67.041 -1.999 8.301 1.00 0.00 C ATOM 580 SG CYS A 37 65.815 -2.620 9.479 1.00 0.00 S ATOM 0 H CYS A 37 68.813 -0.834 7.170 1.00 0.00 H new ATOM 0 HA CYS A 37 66.168 -0.018 8.063 1.00 0.00 H new ATOM 0 HB2 CYS A 37 66.777 -2.303 7.288 1.00 0.00 H new ATOM 0 HB3 CYS A 37 68.020 -2.427 8.517 1.00 0.00 H new ATOM 0 HG CYS A 37 65.167 -3.614 8.948 1.00 0.00 H new ATOM 586 N VAL A 38 68.537 0.368 10.157 1.00 0.00 N ATOM 587 CA VAL A 38 68.832 0.807 11.550 1.00 0.00 C ATOM 588 C VAL A 38 68.393 2.260 11.744 1.00 0.00 C ATOM 589 O VAL A 38 67.448 2.542 12.454 1.00 0.00 O ATOM 590 CB VAL A 38 70.348 0.679 11.696 1.00 0.00 C ATOM 591 CG1 VAL A 38 70.771 1.198 13.071 1.00 0.00 C ATOM 592 CG2 VAL A 38 70.752 -0.792 11.562 1.00 0.00 C ATOM 0 H VAL A 38 69.324 0.417 9.510 1.00 0.00 H new ATOM 0 HA VAL A 38 68.303 0.211 12.294 1.00 0.00 H new ATOM 0 HB VAL A 38 70.839 1.263 10.918 1.00 0.00 H new ATOM 0 HG11 VAL A 38 71.852 1.108 13.177 1.00 0.00 H new ATOM 0 HG12 VAL A 38 70.483 2.245 13.169 1.00 0.00 H new ATOM 0 HG13 VAL A 38 70.280 0.612 13.848 1.00 0.00 H new ATOM 0 HG21 VAL A 38 71.833 -0.883 11.666 1.00 0.00 H new ATOM 0 HG22 VAL A 38 70.262 -1.376 12.341 1.00 0.00 H new ATOM 0 HG23 VAL A 38 70.449 -1.165 10.584 1.00 0.00 H new ATOM 602 N ARG A 39 69.067 3.184 11.115 1.00 0.00 N ATOM 603 CA ARG A 39 68.678 4.617 11.261 1.00 0.00 C ATOM 604 C ARG A 39 67.185 4.778 10.969 1.00 0.00 C ATOM 605 O ARG A 39 66.519 5.621 11.535 1.00 0.00 O ATOM 606 CB ARG A 39 69.516 5.367 10.225 1.00 0.00 C ATOM 607 CG ARG A 39 69.390 6.873 10.462 1.00 0.00 C ATOM 608 CD ARG A 39 70.529 7.343 11.370 1.00 0.00 C ATOM 609 NE ARG A 39 70.323 8.811 11.516 1.00 0.00 N ATOM 610 CZ ARG A 39 71.345 9.596 11.721 1.00 0.00 C ATOM 611 NH1 ARG A 39 72.380 9.161 12.385 1.00 0.00 N ATOM 612 NH2 ARG A 39 71.331 10.818 11.263 1.00 0.00 N ATOM 0 H ARG A 39 69.868 3.010 10.508 1.00 0.00 H new ATOM 0 HA ARG A 39 68.852 4.997 12.268 1.00 0.00 H new ATOM 0 HB2 ARG A 39 70.560 5.063 10.297 1.00 0.00 H new ATOM 0 HB3 ARG A 39 69.179 5.117 9.219 1.00 0.00 H new ATOM 0 HG2 ARG A 39 69.425 7.406 9.512 1.00 0.00 H new ATOM 0 HG3 ARG A 39 68.428 7.101 10.920 1.00 0.00 H new ATOM 0 HD2 ARG A 39 70.496 6.841 12.337 1.00 0.00 H new ATOM 0 HD3 ARG A 39 71.502 7.122 10.930 1.00 0.00 H new ATOM 0 HE ARG A 39 69.383 9.203 11.456 1.00 0.00 H new ATOM 0 HH11 ARG A 39 72.391 8.206 12.744 1.00 0.00 H new ATOM 0 HH12 ARG A 39 73.178 9.775 12.545 1.00 0.00 H new ATOM 0 HH21 ARG A 39 70.521 11.159 10.745 1.00 0.00 H new ATOM 0 HH22 ARG A 39 72.130 11.432 11.423 1.00 0.00 H new ATOM 626 N PHE A 40 66.656 3.968 10.093 1.00 0.00 N ATOM 627 CA PHE A 40 65.205 4.064 9.770 1.00 0.00 C ATOM 628 C PHE A 40 64.408 3.157 10.713 1.00 0.00 C ATOM 629 O PHE A 40 63.213 3.302 10.872 1.00 0.00 O ATOM 630 CB PHE A 40 65.088 3.576 8.325 1.00 0.00 C ATOM 631 CG PHE A 40 65.269 4.743 7.383 1.00 0.00 C ATOM 632 CD1 PHE A 40 66.235 5.721 7.653 1.00 0.00 C ATOM 633 CD2 PHE A 40 64.468 4.848 6.240 1.00 0.00 C ATOM 634 CE1 PHE A 40 66.399 6.804 6.780 1.00 0.00 C ATOM 635 CE2 PHE A 40 64.631 5.931 5.368 1.00 0.00 C ATOM 636 CZ PHE A 40 65.596 6.908 5.638 1.00 0.00 C ATOM 0 H PHE A 40 67.166 3.244 9.587 1.00 0.00 H new ATOM 0 HA PHE A 40 64.814 5.075 9.886 1.00 0.00 H new ATOM 0 HB2 PHE A 40 65.841 2.814 8.125 1.00 0.00 H new ATOM 0 HB3 PHE A 40 64.115 3.113 8.164 1.00 0.00 H new ATOM 0 HD1 PHE A 40 66.854 5.640 8.535 1.00 0.00 H new ATOM 0 HD2 PHE A 40 63.724 4.093 6.031 1.00 0.00 H new ATOM 0 HE1 PHE A 40 67.144 7.558 6.988 1.00 0.00 H new ATOM 0 HE2 PHE A 40 64.012 6.013 4.487 1.00 0.00 H new ATOM 0 HZ PHE A 40 65.721 7.743 4.965 1.00 0.00 H new ATOM 646 N GLN A 41 65.073 2.227 11.342 1.00 0.00 N ATOM 647 CA GLN A 41 64.375 1.305 12.283 1.00 0.00 C ATOM 648 C GLN A 41 63.228 0.578 11.575 1.00 0.00 C ATOM 649 O GLN A 41 62.077 0.946 11.702 1.00 0.00 O ATOM 650 CB GLN A 41 63.833 2.207 13.393 1.00 0.00 C ATOM 651 CG GLN A 41 64.951 2.521 14.389 1.00 0.00 C ATOM 652 CD GLN A 41 64.876 3.994 14.793 1.00 0.00 C ATOM 653 OE1 GLN A 41 63.818 4.490 15.128 1.00 0.00 O ATOM 654 NE2 GLN A 41 65.959 4.721 14.774 1.00 0.00 N ATOM 0 H GLN A 41 66.075 2.065 11.244 1.00 0.00 H new ATOM 0 HA GLN A 41 65.042 0.535 12.669 1.00 0.00 H new ATOM 0 HB2 GLN A 41 63.442 3.131 12.967 1.00 0.00 H new ATOM 0 HB3 GLN A 41 63.005 1.715 13.903 1.00 0.00 H new ATOM 0 HG2 GLN A 41 64.856 1.886 15.270 1.00 0.00 H new ATOM 0 HG3 GLN A 41 65.922 2.304 13.943 1.00 0.00 H new ATOM 0 HE21 GLN A 41 66.847 4.306 14.493 1.00 0.00 H new ATOM 0 HE22 GLN A 41 65.918 5.705 15.040 1.00 0.00 H new ATOM 663 N LEU A 42 63.529 -0.458 10.838 1.00 0.00 N ATOM 664 CA LEU A 42 62.448 -1.209 10.136 1.00 0.00 C ATOM 665 C LEU A 42 62.398 -2.653 10.637 1.00 0.00 C ATOM 666 O LEU A 42 63.240 -3.460 10.298 1.00 0.00 O ATOM 667 CB LEU A 42 62.825 -1.169 8.654 1.00 0.00 C ATOM 668 CG LEU A 42 61.552 -1.170 7.806 1.00 0.00 C ATOM 669 CD1 LEU A 42 60.747 -2.441 8.088 1.00 0.00 C ATOM 670 CD2 LEU A 42 60.706 0.055 8.158 1.00 0.00 C ATOM 0 H LEU A 42 64.473 -0.816 10.692 1.00 0.00 H new ATOM 0 HA LEU A 42 61.465 -0.774 10.315 1.00 0.00 H new ATOM 0 HB2 LEU A 42 63.416 -0.278 8.442 1.00 0.00 H new ATOM 0 HB3 LEU A 42 63.444 -2.030 8.401 1.00 0.00 H new ATOM 0 HG LEU A 42 61.821 -1.138 6.750 1.00 0.00 H new ATOM 0 HD11 LEU A 42 59.841 -2.439 7.483 1.00 0.00 H new ATOM 0 HD12 LEU A 42 61.348 -3.315 7.839 1.00 0.00 H new ATOM 0 HD13 LEU A 42 60.478 -2.475 9.144 1.00 0.00 H new ATOM 0 HD21 LEU A 42 59.798 0.056 7.555 1.00 0.00 H new ATOM 0 HD22 LEU A 42 60.439 0.022 9.214 1.00 0.00 H new ATOM 0 HD23 LEU A 42 61.277 0.961 7.956 1.00 0.00 H new ATOM 682 N PRO A 43 61.403 -2.929 11.435 1.00 0.00 N ATOM 683 CA PRO A 43 61.229 -4.292 11.997 1.00 0.00 C ATOM 684 C PRO A 43 60.785 -5.263 10.901 1.00 0.00 C ATOM 685 O PRO A 43 60.216 -4.868 9.904 1.00 0.00 O ATOM 686 CB PRO A 43 60.133 -4.108 13.043 1.00 0.00 C ATOM 687 CG PRO A 43 59.373 -2.902 12.598 1.00 0.00 C ATOM 688 CD PRO A 43 60.353 -2.008 11.884 1.00 0.00 C ATOM 0 HA PRO A 43 62.145 -4.707 12.418 1.00 0.00 H new ATOM 0 HB2 PRO A 43 59.487 -4.984 13.096 1.00 0.00 H new ATOM 0 HB3 PRO A 43 60.556 -3.963 14.037 1.00 0.00 H new ATOM 0 HG2 PRO A 43 58.554 -3.184 11.936 1.00 0.00 H new ATOM 0 HG3 PRO A 43 58.931 -2.387 13.451 1.00 0.00 H new ATOM 0 HD2 PRO A 43 59.886 -1.493 11.044 1.00 0.00 H new ATOM 0 HD3 PRO A 43 60.751 -1.240 12.547 1.00 0.00 H new ATOM 734 N SER A 47 56.003 -4.498 9.113 1.00 0.00 N ATOM 735 CA SER A 47 56.861 -3.538 8.364 1.00 0.00 C ATOM 736 C SER A 47 57.076 -4.037 6.933 1.00 0.00 C ATOM 737 O SER A 47 56.715 -5.145 6.593 1.00 0.00 O ATOM 738 CB SER A 47 58.183 -3.505 9.125 1.00 0.00 C ATOM 739 OG SER A 47 58.503 -2.159 9.452 1.00 0.00 O ATOM 0 HA SER A 47 56.411 -2.548 8.294 1.00 0.00 H new ATOM 0 HB2 SER A 47 58.108 -4.104 10.033 1.00 0.00 H new ATOM 0 HB3 SER A 47 58.976 -3.942 8.519 1.00 0.00 H new ATOM 0 HG SER A 47 57.881 -1.831 10.135 1.00 0.00 H new ATOM 745 N ARG A 48 57.659 -3.229 6.091 1.00 0.00 N ATOM 746 CA ARG A 48 57.889 -3.665 4.685 1.00 0.00 C ATOM 747 C ARG A 48 58.561 -2.551 3.879 1.00 0.00 C ATOM 748 O ARG A 48 58.318 -1.380 4.089 1.00 0.00 O ATOM 749 CB ARG A 48 56.495 -3.955 4.132 1.00 0.00 C ATOM 750 CG ARG A 48 56.270 -5.466 4.078 1.00 0.00 C ATOM 751 CD ARG A 48 55.790 -5.861 2.681 1.00 0.00 C ATOM 752 NE ARG A 48 54.312 -5.984 2.804 1.00 0.00 N ATOM 753 CZ ARG A 48 53.565 -5.970 1.734 1.00 0.00 C ATOM 754 NH1 ARG A 48 53.155 -4.834 1.240 1.00 0.00 N ATOM 755 NH2 ARG A 48 53.231 -7.091 1.157 1.00 0.00 N ATOM 0 H ARG A 48 57.985 -2.289 6.315 1.00 0.00 H new ATOM 0 HA ARG A 48 58.545 -4.533 4.628 1.00 0.00 H new ATOM 0 HB2 ARG A 48 55.738 -3.487 4.761 1.00 0.00 H new ATOM 0 HB3 ARG A 48 56.391 -3.526 3.135 1.00 0.00 H new ATOM 0 HG2 ARG A 48 57.195 -5.991 4.318 1.00 0.00 H new ATOM 0 HG3 ARG A 48 55.533 -5.761 4.824 1.00 0.00 H new ATOM 0 HD2 ARG A 48 56.064 -5.108 1.942 1.00 0.00 H new ATOM 0 HD3 ARG A 48 56.239 -6.801 2.360 1.00 0.00 H new ATOM 0 HE ARG A 48 53.883 -6.079 3.724 1.00 0.00 H new ATOM 0 HH11 ARG A 48 53.418 -3.957 1.690 1.00 0.00 H new ATOM 0 HH12 ARG A 48 52.571 -4.823 0.404 1.00 0.00 H new ATOM 0 HH21 ARG A 48 53.554 -7.979 1.542 1.00 0.00 H new ATOM 0 HH22 ARG A 48 52.647 -7.080 0.321 1.00 0.00 H new ATOM 769 N LEU A 49 59.399 -2.914 2.948 1.00 0.00 N ATOM 770 CA LEU A 49 60.082 -1.887 2.112 1.00 0.00 C ATOM 771 C LEU A 49 59.648 -2.053 0.654 1.00 0.00 C ATOM 772 O LEU A 49 58.990 -3.013 0.305 1.00 0.00 O ATOM 773 CB LEU A 49 61.575 -2.172 2.276 1.00 0.00 C ATOM 774 CG LEU A 49 61.936 -2.140 3.763 1.00 0.00 C ATOM 775 CD1 LEU A 49 62.685 -3.420 4.136 1.00 0.00 C ATOM 776 CD2 LEU A 49 62.828 -0.929 4.046 1.00 0.00 C ATOM 0 H LEU A 49 59.641 -3.880 2.729 1.00 0.00 H new ATOM 0 HA LEU A 49 59.839 -0.866 2.407 1.00 0.00 H new ATOM 0 HB2 LEU A 49 61.820 -3.146 1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 49 62.160 -1.431 1.732 1.00 0.00 H new ATOM 0 HG LEU A 49 61.024 -2.067 4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 49 62.942 -3.396 5.195 1.00 0.00 H new ATOM 0 HD12 LEU A 49 62.051 -4.284 3.936 1.00 0.00 H new ATOM 0 HD13 LEU A 49 63.597 -3.494 3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 49 63.085 -0.906 5.105 1.00 0.00 H new ATOM 0 HD22 LEU A 49 63.739 -1.002 3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 49 62.295 -0.015 3.782 1.00 0.00 H new ATOM 788 N CYS A 50 59.994 -1.133 -0.202 1.00 0.00 N ATOM 789 CA CYS A 50 59.573 -1.267 -1.626 1.00 0.00 C ATOM 790 C CYS A 50 60.445 -0.405 -2.543 1.00 0.00 C ATOM 791 O CYS A 50 60.657 0.766 -2.298 1.00 0.00 O ATOM 792 CB CYS A 50 58.124 -0.773 -1.656 1.00 0.00 C ATOM 793 SG CYS A 50 57.994 0.791 -0.751 1.00 0.00 S ATOM 0 H CYS A 50 60.544 -0.303 0.018 1.00 0.00 H new ATOM 0 HA CYS A 50 59.672 -2.293 -1.980 1.00 0.00 H new ATOM 0 HB2 CYS A 50 57.797 -0.636 -2.687 1.00 0.00 H new ATOM 0 HB3 CYS A 50 57.466 -1.519 -1.210 1.00 0.00 H new ATOM 0 HG CYS A 50 56.807 0.894 -0.231 1.00 0.00 H new ATOM 799 N LEU A 51 60.939 -0.977 -3.609 1.00 0.00 N ATOM 800 CA LEU A 51 61.782 -0.197 -4.557 1.00 0.00 C ATOM 801 C LEU A 51 61.035 1.066 -4.996 1.00 0.00 C ATOM 802 O LEU A 51 59.872 1.019 -5.341 1.00 0.00 O ATOM 803 CB LEU A 51 61.996 -1.132 -5.747 1.00 0.00 C ATOM 804 CG LEU A 51 63.192 -2.042 -5.472 1.00 0.00 C ATOM 805 CD1 LEU A 51 62.712 -3.486 -5.321 1.00 0.00 C ATOM 806 CD2 LEU A 51 64.175 -1.953 -6.638 1.00 0.00 C ATOM 0 H LEU A 51 60.794 -1.954 -3.863 1.00 0.00 H new ATOM 0 HA LEU A 51 62.725 0.124 -4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 51 61.102 -1.731 -5.918 1.00 0.00 H new ATOM 0 HB3 LEU A 51 62.168 -0.551 -6.653 1.00 0.00 H new ATOM 0 HG LEU A 51 63.685 -1.726 -4.553 1.00 0.00 H new ATOM 0 HD11 LEU A 51 63.566 -4.135 -5.125 1.00 0.00 H new ATOM 0 HD12 LEU A 51 62.009 -3.551 -4.491 1.00 0.00 H new ATOM 0 HD13 LEU A 51 62.219 -3.803 -6.240 1.00 0.00 H new ATOM 0 HD21 LEU A 51 65.029 -2.602 -6.444 1.00 0.00 H new ATOM 0 HD22 LEU A 51 63.680 -2.270 -7.556 1.00 0.00 H new ATOM 0 HD23 LEU A 51 64.518 -0.924 -6.747 1.00 0.00 H new ATOM 818 N TYR A 52 61.689 2.194 -4.981 1.00 0.00 N ATOM 819 CA TYR A 52 61.005 3.453 -5.395 1.00 0.00 C ATOM 820 C TYR A 52 61.225 3.713 -6.888 1.00 0.00 C ATOM 821 O TYR A 52 60.567 4.545 -7.483 1.00 0.00 O ATOM 822 CB TYR A 52 61.654 4.553 -4.557 1.00 0.00 C ATOM 823 CG TYR A 52 60.819 5.808 -4.648 1.00 0.00 C ATOM 824 CD1 TYR A 52 59.486 5.795 -4.216 1.00 0.00 C ATOM 825 CD2 TYR A 52 61.375 6.983 -5.166 1.00 0.00 C ATOM 826 CE1 TYR A 52 58.711 6.957 -4.302 1.00 0.00 C ATOM 827 CE2 TYR A 52 60.600 8.145 -5.254 1.00 0.00 C ATOM 828 CZ TYR A 52 59.267 8.132 -4.821 1.00 0.00 C ATOM 829 OH TYR A 52 58.503 9.278 -4.906 1.00 0.00 O ATOM 0 H TYR A 52 62.664 2.300 -4.701 1.00 0.00 H new ATOM 0 HA TYR A 52 59.927 3.405 -5.239 1.00 0.00 H new ATOM 0 HB2 TYR A 52 61.738 4.233 -3.518 1.00 0.00 H new ATOM 0 HB3 TYR A 52 62.665 4.749 -4.913 1.00 0.00 H new ATOM 0 HD1 TYR A 52 59.057 4.888 -3.817 1.00 0.00 H new ATOM 0 HD2 TYR A 52 62.403 6.993 -5.498 1.00 0.00 H new ATOM 0 HE1 TYR A 52 57.684 6.947 -3.968 1.00 0.00 H new ATOM 0 HE2 TYR A 52 61.029 9.051 -5.655 1.00 0.00 H new ATOM 0 HH TYR A 52 59.041 10.002 -5.288 1.00 0.00 H new ATOM 839 N GLU A 53 62.140 3.014 -7.499 1.00 0.00 N ATOM 840 CA GLU A 53 62.389 3.232 -8.953 1.00 0.00 C ATOM 841 C GLU A 53 61.082 3.097 -9.738 1.00 0.00 C ATOM 842 O GLU A 53 60.932 3.648 -10.811 1.00 0.00 O ATOM 843 CB GLU A 53 63.376 2.138 -9.363 1.00 0.00 C ATOM 844 CG GLU A 53 63.702 2.279 -10.852 1.00 0.00 C ATOM 845 CD GLU A 53 65.027 1.575 -11.154 1.00 0.00 C ATOM 846 OE1 GLU A 53 65.147 0.410 -10.814 1.00 0.00 O ATOM 847 OE2 GLU A 53 65.898 2.214 -11.720 1.00 0.00 O ATOM 0 H GLU A 53 62.724 2.304 -7.058 1.00 0.00 H new ATOM 0 HA GLU A 53 62.783 4.228 -9.157 1.00 0.00 H new ATOM 0 HB2 GLU A 53 64.288 2.215 -8.771 1.00 0.00 H new ATOM 0 HB3 GLU A 53 62.949 1.155 -9.164 1.00 0.00 H new ATOM 0 HG2 GLU A 53 62.903 1.845 -11.453 1.00 0.00 H new ATOM 0 HG3 GLU A 53 63.768 3.333 -11.122 1.00 0.00 H new ATOM 854 N ASP A 54 60.133 2.370 -9.212 1.00 0.00 N ATOM 855 CA ASP A 54 58.839 2.206 -9.936 1.00 0.00 C ATOM 856 C ASP A 54 57.716 1.850 -8.960 1.00 0.00 C ATOM 857 O ASP A 54 56.628 2.380 -9.038 1.00 0.00 O ATOM 858 CB ASP A 54 59.079 1.059 -10.919 1.00 0.00 C ATOM 859 CG ASP A 54 58.327 1.338 -12.222 1.00 0.00 C ATOM 860 OD1 ASP A 54 57.131 1.570 -12.155 1.00 0.00 O ATOM 861 OD2 ASP A 54 58.960 1.315 -13.264 1.00 0.00 O ATOM 0 H ASP A 54 60.197 1.885 -8.317 1.00 0.00 H new ATOM 0 HA ASP A 54 58.534 3.123 -10.441 1.00 0.00 H new ATOM 0 HB2 ASP A 54 60.146 0.953 -11.118 1.00 0.00 H new ATOM 0 HB3 ASP A 54 58.741 0.118 -10.486 1.00 0.00 H new ATOM 866 N GLY A 55 57.965 0.954 -8.044 1.00 0.00 N ATOM 867 CA GLY A 55 56.900 0.575 -7.072 1.00 0.00 C ATOM 868 C GLY A 55 56.959 -0.930 -6.798 1.00 0.00 C ATOM 869 O GLY A 55 55.982 -1.636 -6.953 1.00 0.00 O ATOM 0 H GLY A 55 58.855 0.470 -7.927 1.00 0.00 H new ATOM 0 HA2 GLY A 55 57.030 1.128 -6.142 1.00 0.00 H new ATOM 0 HA3 GLY A 55 55.921 0.844 -7.468 1.00 0.00 H new ATOM 873 N THR A 56 58.094 -1.425 -6.391 1.00 0.00 N ATOM 874 CA THR A 56 58.214 -2.885 -6.104 1.00 0.00 C ATOM 875 C THR A 56 58.230 -3.121 -4.590 1.00 0.00 C ATOM 876 O THR A 56 58.495 -2.223 -3.821 1.00 0.00 O ATOM 877 CB THR A 56 59.540 -3.309 -6.731 1.00 0.00 C ATOM 878 OG1 THR A 56 60.009 -2.283 -7.596 1.00 0.00 O ATOM 879 CG2 THR A 56 59.341 -4.600 -7.527 1.00 0.00 C ATOM 0 H THR A 56 58.945 -0.883 -6.244 1.00 0.00 H new ATOM 0 HA THR A 56 57.378 -3.457 -6.507 1.00 0.00 H new ATOM 0 HB THR A 56 60.274 -3.480 -5.943 1.00 0.00 H new ATOM 0 HG1 THR A 56 60.861 -2.556 -7.996 1.00 0.00 H new ATOM 0 HG21 THR A 56 60.288 -4.901 -7.974 1.00 0.00 H new ATOM 0 HG22 THR A 56 58.987 -5.387 -6.861 1.00 0.00 H new ATOM 0 HG23 THR A 56 58.606 -4.433 -8.314 1.00 0.00 H new ATOM 887 N GLU A 57 57.949 -4.319 -4.154 1.00 0.00 N ATOM 888 CA GLU A 57 57.955 -4.591 -2.685 1.00 0.00 C ATOM 889 C GLU A 57 59.125 -5.510 -2.320 1.00 0.00 C ATOM 890 O GLU A 57 59.338 -6.534 -2.938 1.00 0.00 O ATOM 891 CB GLU A 57 56.619 -5.281 -2.398 1.00 0.00 C ATOM 892 CG GLU A 57 56.610 -6.670 -3.037 1.00 0.00 C ATOM 893 CD GLU A 57 57.049 -7.710 -2.005 1.00 0.00 C ATOM 894 OE1 GLU A 57 57.510 -7.309 -0.949 1.00 0.00 O ATOM 895 OE2 GLU A 57 56.920 -8.889 -2.288 1.00 0.00 O ATOM 0 H GLU A 57 57.717 -5.117 -4.745 1.00 0.00 H new ATOM 0 HA GLU A 57 58.074 -3.679 -2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 57 56.465 -5.364 -1.322 1.00 0.00 H new ATOM 0 HB3 GLU A 57 55.797 -4.683 -2.793 1.00 0.00 H new ATOM 0 HG2 GLU A 57 55.611 -6.906 -3.405 1.00 0.00 H new ATOM 0 HG3 GLU A 57 57.279 -6.691 -3.897 1.00 0.00 H new ATOM 902 N VAL A 58 59.887 -5.150 -1.323 1.00 0.00 N ATOM 903 CA VAL A 58 61.046 -6.000 -0.923 1.00 0.00 C ATOM 904 C VAL A 58 61.298 -5.882 0.584 1.00 0.00 C ATOM 905 O VAL A 58 60.691 -5.078 1.262 1.00 0.00 O ATOM 906 CB VAL A 58 62.231 -5.442 -1.708 1.00 0.00 C ATOM 907 CG1 VAL A 58 63.477 -6.280 -1.417 1.00 0.00 C ATOM 908 CG2 VAL A 58 61.918 -5.499 -3.204 1.00 0.00 C ATOM 0 H VAL A 58 59.757 -4.304 -0.768 1.00 0.00 H new ATOM 0 HA VAL A 58 60.875 -7.056 -1.133 1.00 0.00 H new ATOM 0 HB VAL A 58 62.411 -4.409 -1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 58 64.323 -5.881 -1.978 1.00 0.00 H new ATOM 0 HG12 VAL A 58 63.699 -6.244 -0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 58 63.299 -7.313 -1.715 1.00 0.00 H new ATOM 0 HG21 VAL A 58 62.762 -5.101 -3.768 1.00 0.00 H new ATOM 0 HG22 VAL A 58 61.739 -6.533 -3.499 1.00 0.00 H new ATOM 0 HG23 VAL A 58 61.029 -4.903 -3.413 1.00 0.00 H new ATOM 918 N THR A 59 62.189 -6.677 1.113 1.00 0.00 N ATOM 919 CA THR A 59 62.476 -6.607 2.575 1.00 0.00 C ATOM 920 C THR A 59 63.916 -6.141 2.816 1.00 0.00 C ATOM 921 O THR A 59 64.766 -6.249 1.954 1.00 0.00 O ATOM 922 CB THR A 59 62.280 -8.034 3.091 1.00 0.00 C ATOM 923 OG1 THR A 59 63.051 -8.930 2.304 1.00 0.00 O ATOM 924 CG2 THR A 59 60.800 -8.413 2.998 1.00 0.00 C ATOM 0 H THR A 59 62.730 -7.371 0.597 1.00 0.00 H new ATOM 0 HA THR A 59 61.825 -5.897 3.085 1.00 0.00 H new ATOM 0 HB THR A 59 62.603 -8.093 4.130 1.00 0.00 H new ATOM 0 HG1 THR A 59 62.831 -9.853 2.549 1.00 0.00 H new ATOM 0 HG21 THR A 59 60.661 -9.430 3.366 1.00 0.00 H new ATOM 0 HG22 THR A 59 60.209 -7.725 3.602 1.00 0.00 H new ATOM 0 HG23 THR A 59 60.474 -8.355 1.959 1.00 0.00 H new ATOM 932 N ASP A 60 64.195 -5.621 3.981 1.00 0.00 N ATOM 933 CA ASP A 60 65.574 -5.144 4.278 1.00 0.00 C ATOM 934 C ASP A 60 66.532 -6.332 4.415 1.00 0.00 C ATOM 935 O ASP A 60 67.736 -6.171 4.418 1.00 0.00 O ATOM 936 CB ASP A 60 65.457 -4.387 5.603 1.00 0.00 C ATOM 937 CG ASP A 60 64.920 -5.328 6.684 1.00 0.00 C ATOM 938 OD1 ASP A 60 64.368 -6.355 6.327 1.00 0.00 O ATOM 939 OD2 ASP A 60 65.072 -5.004 7.851 1.00 0.00 O ATOM 0 H ASP A 60 63.525 -5.506 4.741 1.00 0.00 H new ATOM 0 HA ASP A 60 65.971 -4.512 3.483 1.00 0.00 H new ATOM 0 HB2 ASP A 60 66.431 -3.996 5.898 1.00 0.00 H new ATOM 0 HB3 ASP A 60 64.792 -3.531 5.488 1.00 0.00 H new ATOM 944 N ASP A 61 66.008 -7.523 4.529 1.00 0.00 N ATOM 945 CA ASP A 61 66.892 -8.717 4.666 1.00 0.00 C ATOM 946 C ASP A 61 66.978 -9.466 3.333 1.00 0.00 C ATOM 947 O ASP A 61 67.553 -10.534 3.246 1.00 0.00 O ATOM 948 CB ASP A 61 66.223 -9.590 5.728 1.00 0.00 C ATOM 949 CG ASP A 61 67.289 -10.389 6.480 1.00 0.00 C ATOM 950 OD1 ASP A 61 68.374 -9.862 6.669 1.00 0.00 O ATOM 951 OD2 ASP A 61 67.004 -11.514 6.855 1.00 0.00 O ATOM 0 H ASP A 61 65.007 -7.721 4.533 1.00 0.00 H new ATOM 0 HA ASP A 61 67.910 -8.445 4.946 1.00 0.00 H new ATOM 0 HB2 ASP A 61 65.662 -8.967 6.425 1.00 0.00 H new ATOM 0 HB3 ASP A 61 65.509 -10.267 5.260 1.00 0.00 H new ATOM 956 N CYS A 62 66.409 -8.917 2.296 1.00 0.00 N ATOM 957 CA CYS A 62 66.457 -9.600 0.970 1.00 0.00 C ATOM 958 C CYS A 62 67.321 -8.799 -0.007 1.00 0.00 C ATOM 959 O CYS A 62 68.035 -9.357 -0.815 1.00 0.00 O ATOM 960 CB CYS A 62 65.005 -9.642 0.494 1.00 0.00 C ATOM 961 SG CYS A 62 64.905 -10.558 -1.065 1.00 0.00 S ATOM 0 H CYS A 62 65.913 -8.026 2.308 1.00 0.00 H new ATOM 0 HA CYS A 62 66.893 -10.597 1.034 1.00 0.00 H new ATOM 0 HB2 CYS A 62 64.378 -10.118 1.248 1.00 0.00 H new ATOM 0 HB3 CYS A 62 64.627 -8.629 0.357 1.00 0.00 H new ATOM 0 HG CYS A 62 63.670 -10.595 -1.468 1.00 0.00 H new ATOM 967 N PHE A 63 67.260 -7.496 0.062 1.00 0.00 N ATOM 968 CA PHE A 63 68.077 -6.655 -0.864 1.00 0.00 C ATOM 969 C PHE A 63 69.475 -7.254 -1.038 1.00 0.00 C ATOM 970 O PHE A 63 70.332 -7.086 -0.193 1.00 0.00 O ATOM 971 CB PHE A 63 68.159 -5.288 -0.184 1.00 0.00 C ATOM 972 CG PHE A 63 66.839 -4.573 -0.337 1.00 0.00 C ATOM 973 CD1 PHE A 63 66.281 -4.400 -1.609 1.00 0.00 C ATOM 974 CD2 PHE A 63 66.171 -4.085 0.793 1.00 0.00 C ATOM 975 CE1 PHE A 63 65.056 -3.739 -1.752 1.00 0.00 C ATOM 976 CE2 PHE A 63 64.945 -3.425 0.650 1.00 0.00 C ATOM 977 CZ PHE A 63 64.387 -3.252 -0.622 1.00 0.00 C ATOM 0 H PHE A 63 66.679 -6.976 0.720 1.00 0.00 H new ATOM 0 HA PHE A 63 67.637 -6.592 -1.859 1.00 0.00 H new ATOM 0 HB2 PHE A 63 68.400 -5.409 0.872 1.00 0.00 H new ATOM 0 HB3 PHE A 63 68.960 -4.696 -0.628 1.00 0.00 H new ATOM 0 HD1 PHE A 63 66.796 -4.777 -2.480 1.00 0.00 H new ATOM 0 HD2 PHE A 63 66.602 -4.218 1.774 1.00 0.00 H new ATOM 0 HE1 PHE A 63 64.626 -3.604 -2.734 1.00 0.00 H new ATOM 0 HE2 PHE A 63 64.429 -3.049 1.521 1.00 0.00 H new ATOM 0 HZ PHE A 63 63.441 -2.743 -0.732 1.00 0.00 H new ATOM 987 N PRO A 64 69.655 -7.933 -2.138 1.00 0.00 N ATOM 988 CA PRO A 64 70.962 -8.567 -2.437 1.00 0.00 C ATOM 989 C PRO A 64 71.977 -7.508 -2.879 1.00 0.00 C ATOM 990 O PRO A 64 72.682 -6.936 -2.072 1.00 0.00 O ATOM 991 CB PRO A 64 70.642 -9.524 -3.581 1.00 0.00 C ATOM 992 CG PRO A 64 69.427 -8.952 -4.242 1.00 0.00 C ATOM 993 CD PRO A 64 68.668 -8.176 -3.195 1.00 0.00 C ATOM 0 HA PRO A 64 71.402 -9.072 -1.577 1.00 0.00 H new ATOM 0 HB2 PRO A 64 71.475 -9.594 -4.281 1.00 0.00 H new ATOM 0 HB3 PRO A 64 70.451 -10.531 -3.210 1.00 0.00 H new ATOM 0 HG2 PRO A 64 69.710 -8.303 -5.071 1.00 0.00 H new ATOM 0 HG3 PRO A 64 68.806 -9.746 -4.657 1.00 0.00 H new ATOM 0 HD2 PRO A 64 68.278 -7.241 -3.598 1.00 0.00 H new ATOM 0 HD3 PRO A 64 67.815 -8.742 -2.820 1.00 0.00 H new ATOM 1001 N GLY A 65 72.060 -7.244 -4.155 1.00 0.00 N ATOM 1002 CA GLY A 65 73.032 -6.224 -4.641 1.00 0.00 C ATOM 1003 C GLY A 65 72.309 -5.196 -5.513 1.00 0.00 C ATOM 1004 O GLY A 65 72.508 -5.135 -6.710 1.00 0.00 O ATOM 0 H GLY A 65 71.498 -7.690 -4.880 1.00 0.00 H new ATOM 0 HA2 GLY A 65 73.506 -5.728 -3.794 1.00 0.00 H new ATOM 0 HA3 GLY A 65 73.825 -6.707 -5.213 1.00 0.00 H new ATOM 1008 N LEU A 66 71.474 -4.384 -4.924 1.00 0.00 N ATOM 1009 CA LEU A 66 70.747 -3.358 -5.724 1.00 0.00 C ATOM 1010 C LEU A 66 71.733 -2.573 -6.590 1.00 0.00 C ATOM 1011 O LEU A 66 72.923 -2.578 -6.339 1.00 0.00 O ATOM 1012 CB LEU A 66 70.093 -2.439 -4.690 1.00 0.00 C ATOM 1013 CG LEU A 66 69.032 -3.216 -3.910 1.00 0.00 C ATOM 1014 CD1 LEU A 66 68.821 -2.561 -2.544 1.00 0.00 C ATOM 1015 CD2 LEU A 66 67.715 -3.202 -4.689 1.00 0.00 C ATOM 0 H LEU A 66 71.264 -4.387 -3.926 1.00 0.00 H new ATOM 0 HA LEU A 66 70.013 -3.801 -6.397 1.00 0.00 H new ATOM 0 HB2 LEU A 66 70.847 -2.049 -4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 66 69.638 -1.582 -5.187 1.00 0.00 H new ATOM 0 HG LEU A 66 69.364 -4.245 -3.773 1.00 0.00 H new ATOM 0 HD11 LEU A 66 68.065 -3.115 -1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 66 69.759 -2.569 -1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 66 68.489 -1.532 -2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 66 66.958 -3.756 -4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 66 67.384 -2.172 -4.826 1.00 0.00 H new ATOM 0 HD23 LEU A 66 67.864 -3.668 -5.663 1.00 0.00 H new ATOM 1027 N PRO A 67 71.201 -1.922 -7.585 1.00 0.00 N ATOM 1028 CA PRO A 67 72.038 -1.116 -8.506 1.00 0.00 C ATOM 1029 C PRO A 67 72.542 0.145 -7.802 1.00 0.00 C ATOM 1030 O PRO A 67 72.078 0.498 -6.736 1.00 0.00 O ATOM 1031 CB PRO A 67 71.082 -0.766 -9.643 1.00 0.00 C ATOM 1032 CG PRO A 67 69.717 -0.843 -9.037 1.00 0.00 C ATOM 1033 CD PRO A 67 69.780 -1.874 -7.941 1.00 0.00 C ATOM 0 HA PRO A 67 72.927 -1.642 -8.853 1.00 0.00 H new ATOM 0 HB2 PRO A 67 71.284 0.230 -10.036 1.00 0.00 H new ATOM 0 HB3 PRO A 67 71.185 -1.463 -10.474 1.00 0.00 H new ATOM 0 HG2 PRO A 67 69.417 0.126 -8.638 1.00 0.00 H new ATOM 0 HG3 PRO A 67 68.977 -1.122 -9.787 1.00 0.00 H new ATOM 0 HD2 PRO A 67 69.164 -1.589 -7.088 1.00 0.00 H new ATOM 0 HD3 PRO A 67 69.421 -2.844 -8.284 1.00 0.00 H new ATOM 1041 N ASN A 68 73.489 0.826 -8.385 1.00 0.00 N ATOM 1042 CA ASN A 68 74.019 2.062 -7.743 1.00 0.00 C ATOM 1043 C ASN A 68 72.865 2.932 -7.246 1.00 0.00 C ATOM 1044 O ASN A 68 71.767 2.884 -7.765 1.00 0.00 O ATOM 1045 CB ASN A 68 74.802 2.778 -8.842 1.00 0.00 C ATOM 1046 CG ASN A 68 76.204 3.117 -8.332 1.00 0.00 C ATOM 1047 OD1 ASN A 68 77.187 2.607 -8.834 1.00 0.00 O ATOM 1048 ND2 ASN A 68 76.340 3.962 -7.347 1.00 0.00 N ATOM 0 H ASN A 68 73.919 0.581 -9.277 1.00 0.00 H new ATOM 0 HA ASN A 68 74.646 1.843 -6.878 1.00 0.00 H new ATOM 0 HB2 ASN A 68 74.869 2.145 -9.727 1.00 0.00 H new ATOM 0 HB3 ASN A 68 74.282 3.688 -9.140 1.00 0.00 H new ATOM 0 HD21 ASN A 68 77.270 4.194 -6.999 1.00 0.00 H new ATOM 0 HD22 ASN A 68 75.516 4.390 -6.925 1.00 0.00 H new ATOM 1055 N ASP A 69 73.102 3.723 -6.237 1.00 0.00 N ATOM 1056 CA ASP A 69 72.018 4.591 -5.700 1.00 0.00 C ATOM 1057 C ASP A 69 70.719 3.794 -5.592 1.00 0.00 C ATOM 1058 O ASP A 69 69.642 4.302 -5.835 1.00 0.00 O ATOM 1059 CB ASP A 69 71.875 5.729 -6.712 1.00 0.00 C ATOM 1060 CG ASP A 69 73.062 6.684 -6.579 1.00 0.00 C ATOM 1061 OD1 ASP A 69 73.167 7.326 -5.547 1.00 0.00 O ATOM 1062 OD2 ASP A 69 73.846 6.757 -7.511 1.00 0.00 O ATOM 0 H ASP A 69 74.000 3.806 -5.761 1.00 0.00 H new ATOM 0 HA ASP A 69 72.244 4.969 -4.703 1.00 0.00 H new ATOM 0 HB2 ASP A 69 71.831 5.326 -7.724 1.00 0.00 H new ATOM 0 HB3 ASP A 69 70.942 6.266 -6.541 1.00 0.00 H new ATOM 1067 N ALA A 70 70.816 2.549 -5.225 1.00 0.00 N ATOM 1068 CA ALA A 70 69.587 1.713 -5.096 1.00 0.00 C ATOM 1069 C ALA A 70 68.485 2.512 -4.397 1.00 0.00 C ATOM 1070 O ALA A 70 68.619 2.910 -3.256 1.00 0.00 O ATOM 1071 CB ALA A 70 70.005 0.512 -4.244 1.00 0.00 C ATOM 0 H ALA A 70 71.691 2.072 -5.008 1.00 0.00 H new ATOM 0 HA ALA A 70 69.194 1.402 -6.064 1.00 0.00 H new ATOM 0 HB1 ALA A 70 69.151 -0.151 -4.105 1.00 0.00 H new ATOM 0 HB2 ALA A 70 70.806 -0.030 -4.747 1.00 0.00 H new ATOM 0 HB3 ALA A 70 70.356 0.860 -3.272 1.00 0.00 H new ATOM 1077 N GLU A 71 67.397 2.758 -5.075 1.00 0.00 N ATOM 1078 CA GLU A 71 66.289 3.538 -4.453 1.00 0.00 C ATOM 1079 C GLU A 71 65.408 2.626 -3.592 1.00 0.00 C ATOM 1080 O GLU A 71 64.650 1.821 -4.099 1.00 0.00 O ATOM 1081 CB GLU A 71 65.490 4.097 -5.632 1.00 0.00 C ATOM 1082 CG GLU A 71 66.353 5.092 -6.412 1.00 0.00 C ATOM 1083 CD GLU A 71 65.639 5.483 -7.707 1.00 0.00 C ATOM 1084 OE1 GLU A 71 65.456 4.614 -8.544 1.00 0.00 O ATOM 1085 OE2 GLU A 71 65.289 6.643 -7.840 1.00 0.00 O ATOM 0 H GLU A 71 67.227 2.452 -6.033 1.00 0.00 H new ATOM 0 HA GLU A 71 66.659 4.326 -3.798 1.00 0.00 H new ATOM 0 HB2 GLU A 71 65.172 3.285 -6.286 1.00 0.00 H new ATOM 0 HB3 GLU A 71 64.586 4.589 -5.271 1.00 0.00 H new ATOM 0 HG2 GLU A 71 66.542 5.979 -5.807 1.00 0.00 H new ATOM 0 HG3 GLU A 71 67.323 4.649 -6.639 1.00 0.00 H new ATOM 1092 N LEU A 72 65.496 2.751 -2.296 1.00 0.00 N ATOM 1093 CA LEU A 72 64.660 1.899 -1.402 1.00 0.00 C ATOM 1094 C LEU A 72 63.728 2.781 -0.568 1.00 0.00 C ATOM 1095 O LEU A 72 64.124 3.819 -0.073 1.00 0.00 O ATOM 1096 CB LEU A 72 65.658 1.164 -0.505 1.00 0.00 C ATOM 1097 CG LEU A 72 65.626 -0.331 -0.824 1.00 0.00 C ATOM 1098 CD1 LEU A 72 65.921 -0.542 -2.310 1.00 0.00 C ATOM 1099 CD2 LEU A 72 66.685 -1.052 0.014 1.00 0.00 C ATOM 0 H LEU A 72 66.112 3.408 -1.816 1.00 0.00 H new ATOM 0 HA LEU A 72 64.030 1.203 -1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 72 66.662 1.558 -0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 72 65.410 1.328 0.544 1.00 0.00 H new ATOM 0 HG LEU A 72 64.640 -0.733 -0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 72 65.898 -1.608 -2.538 1.00 0.00 H new ATOM 0 HD12 LEU A 72 65.168 -0.027 -2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 72 66.907 -0.142 -2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 72 66.664 -2.118 -0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.671 -0.651 -0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.476 -0.901 1.073 1.00 0.00 H new ATOM 1111 N LEU A 73 62.494 2.388 -0.415 1.00 0.00 N ATOM 1112 CA LEU A 73 61.543 3.221 0.379 1.00 0.00 C ATOM 1113 C LEU A 73 61.077 2.475 1.631 1.00 0.00 C ATOM 1114 O LEU A 73 60.670 1.331 1.572 1.00 0.00 O ATOM 1115 CB LEU A 73 60.365 3.476 -0.559 1.00 0.00 C ATOM 1116 CG LEU A 73 59.412 4.485 0.083 1.00 0.00 C ATOM 1117 CD1 LEU A 73 59.297 5.721 -0.811 1.00 0.00 C ATOM 1118 CD2 LEU A 73 58.030 3.848 0.250 1.00 0.00 C ATOM 0 H LEU A 73 62.102 1.530 -0.803 1.00 0.00 H new ATOM 0 HA LEU A 73 62.005 4.146 0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 73 60.724 3.856 -1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 73 59.840 2.543 -0.763 1.00 0.00 H new ATOM 0 HG LEU A 73 59.799 4.777 1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 73 58.618 6.440 -0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 73 60.280 6.176 -0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 73 58.911 5.429 -1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 73 57.351 4.567 0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 73 57.644 3.555 -0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 73 58.110 2.968 0.888 1.00 0.00 H new ATOM 1130 N LEU A 74 61.123 3.123 2.763 1.00 0.00 N ATOM 1131 CA LEU A 74 60.673 2.468 4.023 1.00 0.00 C ATOM 1132 C LEU A 74 59.145 2.450 4.074 1.00 0.00 C ATOM 1133 O LEU A 74 58.491 3.402 3.695 1.00 0.00 O ATOM 1134 CB LEU A 74 61.239 3.341 5.144 1.00 0.00 C ATOM 1135 CG LEU A 74 61.277 2.545 6.448 1.00 0.00 C ATOM 1136 CD1 LEU A 74 62.426 1.536 6.398 1.00 0.00 C ATOM 1137 CD2 LEU A 74 61.490 3.505 7.621 1.00 0.00 C ATOM 0 H LEU A 74 61.454 4.082 2.869 1.00 0.00 H new ATOM 0 HA LEU A 74 61.011 1.435 4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 74 62.242 3.679 4.884 1.00 0.00 H new ATOM 0 HB3 LEU A 74 60.625 4.233 5.269 1.00 0.00 H new ATOM 0 HG LEU A 74 60.335 2.013 6.578 1.00 0.00 H new ATOM 0 HD11 LEU A 74 62.453 0.969 7.328 1.00 0.00 H new ATOM 0 HD12 LEU A 74 62.275 0.854 5.561 1.00 0.00 H new ATOM 0 HD13 LEU A 74 63.370 2.066 6.269 1.00 0.00 H new ATOM 0 HD21 LEU A 74 61.518 2.940 8.553 1.00 0.00 H new ATOM 0 HD22 LEU A 74 62.433 4.036 7.490 1.00 0.00 H new ATOM 0 HD23 LEU A 74 60.671 4.224 7.656 1.00 0.00 H new ATOM 1149 N LEU A 75 58.567 1.375 4.529 1.00 0.00 N ATOM 1150 CA LEU A 75 57.082 1.301 4.591 1.00 0.00 C ATOM 1151 C LEU A 75 56.659 0.302 5.667 1.00 0.00 C ATOM 1152 O LEU A 75 57.448 -0.500 6.120 1.00 0.00 O ATOM 1153 CB LEU A 75 56.665 0.822 3.197 1.00 0.00 C ATOM 1154 CG LEU A 75 55.234 0.282 3.229 1.00 0.00 C ATOM 1155 CD1 LEU A 75 54.646 0.316 1.817 1.00 0.00 C ATOM 1156 CD2 LEU A 75 55.243 -1.162 3.739 1.00 0.00 C ATOM 0 H LEU A 75 59.058 0.545 4.860 1.00 0.00 H new ATOM 0 HA LEU A 75 56.616 2.252 4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 75 56.735 1.645 2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 75 57.347 0.045 2.853 1.00 0.00 H new ATOM 0 HG LEU A 75 54.629 0.899 3.893 1.00 0.00 H new ATOM 0 HD11 LEU A 75 53.626 -0.069 1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 75 54.639 1.342 1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 75 55.253 -0.302 1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 75 54.223 -1.546 3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 75 55.848 -1.779 3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 75 55.664 -1.190 4.744 1.00 0.00 H new ATOM 1168 N THR A 76 55.425 0.343 6.084 1.00 0.00 N ATOM 1169 CA THR A 76 54.965 -0.610 7.133 1.00 0.00 C ATOM 1170 C THR A 76 53.489 -0.957 6.916 1.00 0.00 C ATOM 1171 O THR A 76 52.804 -0.328 6.134 1.00 0.00 O ATOM 1172 CB THR A 76 55.155 0.133 8.455 1.00 0.00 C ATOM 1173 OG1 THR A 76 54.158 1.140 8.576 1.00 0.00 O ATOM 1174 CG2 THR A 76 56.541 0.779 8.484 1.00 0.00 C ATOM 0 H THR A 76 54.716 0.993 5.745 1.00 0.00 H new ATOM 0 HA THR A 76 55.519 -1.549 7.113 1.00 0.00 H new ATOM 0 HB THR A 76 55.067 -0.569 9.284 1.00 0.00 H new ATOM 0 HG1 THR A 76 54.276 1.617 9.424 1.00 0.00 H new ATOM 0 HG21 THR A 76 56.676 1.309 9.427 1.00 0.00 H new ATOM 0 HG22 THR A 76 57.304 0.007 8.389 1.00 0.00 H new ATOM 0 HG23 THR A 76 56.632 1.483 7.656 1.00 0.00 H new ATOM 1182 N ALA A 77 52.995 -1.952 7.600 1.00 0.00 N ATOM 1183 CA ALA A 77 51.565 -2.334 7.427 1.00 0.00 C ATOM 1184 C ALA A 77 50.673 -1.096 7.529 1.00 0.00 C ATOM 1185 O ALA A 77 49.586 -1.056 6.987 1.00 0.00 O ATOM 1186 CB ALA A 77 51.270 -3.305 8.571 1.00 0.00 C ATOM 0 H ALA A 77 53.518 -2.516 8.270 1.00 0.00 H new ATOM 0 HA ALA A 77 51.373 -2.785 6.453 1.00 0.00 H new ATOM 0 HB1 ALA A 77 50.232 -3.632 8.512 1.00 0.00 H new ATOM 0 HB2 ALA A 77 51.928 -4.170 8.493 1.00 0.00 H new ATOM 0 HB3 ALA A 77 51.439 -2.805 9.525 1.00 0.00 H new ATOM 1192 N GLY A 78 51.125 -0.083 8.214 1.00 0.00 N ATOM 1193 CA GLY A 78 50.303 1.153 8.343 1.00 0.00 C ATOM 1194 C GLY A 78 50.671 2.120 7.219 1.00 0.00 C ATOM 1195 O GLY A 78 50.352 3.292 7.264 1.00 0.00 O ATOM 0 H GLY A 78 52.027 -0.057 8.690 1.00 0.00 H new ATOM 0 HA2 GLY A 78 49.243 0.906 8.294 1.00 0.00 H new ATOM 0 HA3 GLY A 78 50.477 1.620 9.312 1.00 0.00 H new ATOM 1199 N GLU A 79 51.345 1.640 6.209 1.00 0.00 N ATOM 1200 CA GLU A 79 51.737 2.535 5.083 1.00 0.00 C ATOM 1201 C GLU A 79 51.862 1.733 3.784 1.00 0.00 C ATOM 1202 O GLU A 79 52.160 0.555 3.795 1.00 0.00 O ATOM 1203 CB GLU A 79 53.093 3.108 5.493 1.00 0.00 C ATOM 1204 CG GLU A 79 53.014 4.635 5.527 1.00 0.00 C ATOM 1205 CD GLU A 79 54.415 5.223 5.340 1.00 0.00 C ATOM 1206 OE1 GLU A 79 55.290 4.490 4.910 1.00 0.00 O ATOM 1207 OE2 GLU A 79 54.588 6.394 5.629 1.00 0.00 O ATOM 0 H GLU A 79 51.641 0.668 6.115 1.00 0.00 H new ATOM 0 HA GLU A 79 51.000 3.317 4.900 1.00 0.00 H new ATOM 0 HB2 GLU A 79 53.379 2.726 6.473 1.00 0.00 H new ATOM 0 HB3 GLU A 79 53.862 2.789 4.790 1.00 0.00 H new ATOM 0 HG2 GLU A 79 52.350 4.993 4.740 1.00 0.00 H new ATOM 0 HG3 GLU A 79 52.592 4.967 6.476 1.00 0.00 H new ATOM 1214 N THR A 80 51.635 2.365 2.664 1.00 0.00 N ATOM 1215 CA THR A 80 51.739 1.641 1.363 1.00 0.00 C ATOM 1216 C THR A 80 52.269 2.583 0.277 1.00 0.00 C ATOM 1217 O THR A 80 51.959 3.757 0.258 1.00 0.00 O ATOM 1218 CB THR A 80 50.313 1.197 1.034 1.00 0.00 C ATOM 1219 OG1 THR A 80 49.399 1.847 1.906 1.00 0.00 O ATOM 1220 CG2 THR A 80 50.196 -0.318 1.203 1.00 0.00 C ATOM 0 H THR A 80 51.382 3.351 2.593 1.00 0.00 H new ATOM 0 HA THR A 80 52.425 0.795 1.418 1.00 0.00 H new ATOM 0 HB THR A 80 50.080 1.464 0.003 1.00 0.00 H new ATOM 0 HG1 THR A 80 48.486 1.563 1.693 1.00 0.00 H new ATOM 0 HG21 THR A 80 49.179 -0.633 0.968 1.00 0.00 H new ATOM 0 HG22 THR A 80 50.894 -0.814 0.529 1.00 0.00 H new ATOM 0 HG23 THR A 80 50.431 -0.588 2.232 1.00 0.00 H new ATOM 1228 N TRP A 81 53.062 2.077 -0.628 1.00 0.00 N ATOM 1229 CA TRP A 81 53.606 2.945 -1.710 1.00 0.00 C ATOM 1230 C TRP A 81 52.990 2.560 -3.058 1.00 0.00 C ATOM 1231 O TRP A 81 52.873 1.397 -3.389 1.00 0.00 O ATOM 1232 CB TRP A 81 55.113 2.679 -1.712 1.00 0.00 C ATOM 1233 CG TRP A 81 55.717 3.198 -2.978 1.00 0.00 C ATOM 1234 CD1 TRP A 81 56.593 2.519 -3.756 1.00 0.00 C ATOM 1235 CD2 TRP A 81 55.508 4.486 -3.626 1.00 0.00 C ATOM 1236 NE1 TRP A 81 56.936 3.309 -4.839 1.00 0.00 N ATOM 1237 CE2 TRP A 81 56.294 4.531 -4.803 1.00 0.00 C ATOM 1238 CE3 TRP A 81 54.723 5.609 -3.312 1.00 0.00 C ATOM 1239 CZ2 TRP A 81 56.299 5.650 -5.637 1.00 0.00 C ATOM 1240 CZ3 TRP A 81 54.727 6.737 -4.148 1.00 0.00 C ATOM 1241 CH2 TRP A 81 55.514 6.758 -5.308 1.00 0.00 C ATOM 0 H TRP A 81 53.356 1.101 -0.665 1.00 0.00 H new ATOM 0 HA TRP A 81 53.379 3.999 -1.547 1.00 0.00 H new ATOM 0 HB2 TRP A 81 55.578 3.161 -0.852 1.00 0.00 H new ATOM 0 HB3 TRP A 81 55.303 1.610 -1.619 1.00 0.00 H new ATOM 0 HD1 TRP A 81 56.964 1.523 -3.563 1.00 0.00 H new ATOM 0 HE1 TRP A 81 57.584 3.024 -5.574 1.00 0.00 H new ATOM 0 HE3 TRP A 81 54.112 5.604 -2.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 56.905 5.659 -6.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 54.120 7.594 -3.896 1.00 0.00 H new ATOM 0 HH2 TRP A 81 55.513 7.629 -5.946 1.00 0.00 H new ATOM 1252 N HIS A 82 52.597 3.529 -3.839 1.00 0.00 N ATOM 1253 CA HIS A 82 51.991 3.217 -5.164 1.00 0.00 C ATOM 1254 C HIS A 82 53.087 2.876 -6.176 1.00 0.00 C ATOM 1255 O HIS A 82 53.341 1.724 -6.465 1.00 0.00 O ATOM 1256 CB HIS A 82 51.256 4.493 -5.576 1.00 0.00 C ATOM 1257 CG HIS A 82 49.773 4.282 -5.442 1.00 0.00 C ATOM 1258 ND1 HIS A 82 48.865 5.325 -5.541 1.00 0.00 N ATOM 1259 CD2 HIS A 82 49.023 3.152 -5.221 1.00 0.00 C ATOM 1260 CE1 HIS A 82 47.634 4.808 -5.381 1.00 0.00 C ATOM 1261 NE2 HIS A 82 47.672 3.487 -5.183 1.00 0.00 N ATOM 0 H HIS A 82 52.669 4.522 -3.617 1.00 0.00 H new ATOM 0 HA HIS A 82 51.320 2.359 -5.121 1.00 0.00 H new ATOM 0 HB2 HIS A 82 51.574 5.327 -4.950 1.00 0.00 H new ATOM 0 HB3 HIS A 82 51.506 4.753 -6.605 1.00 0.00 H new ATOM 0 HD2 HIS A 82 49.421 2.156 -5.096 1.00 0.00 H new ATOM 0 HE1 HIS A 82 46.725 5.390 -5.409 1.00 0.00 H new ATOM 0 HE2 HIS A 82 46.882 2.859 -5.036 1.00 0.00 H new ATOM 1269 N GLY A 83 53.743 3.868 -6.715 1.00 0.00 N ATOM 1270 CA GLY A 83 54.823 3.594 -7.705 1.00 0.00 C ATOM 1271 C GLY A 83 55.210 4.888 -8.423 1.00 0.00 C ATOM 1272 O GLY A 83 54.391 5.756 -8.645 1.00 0.00 O ATOM 0 H GLY A 83 53.578 4.854 -6.513 1.00 0.00 H new ATOM 0 HA2 GLY A 83 55.693 3.173 -7.201 1.00 0.00 H new ATOM 0 HA3 GLY A 83 54.485 2.853 -8.429 1.00 0.00 H new ATOM 1276 N TYR A 84 56.457 5.023 -8.787 1.00 0.00 N ATOM 1277 CA TYR A 84 56.902 6.260 -9.492 1.00 0.00 C ATOM 1278 C TYR A 84 56.566 6.170 -10.984 1.00 0.00 C ATOM 1279 O TYR A 84 56.597 5.108 -11.573 1.00 0.00 O ATOM 1280 CB TYR A 84 58.416 6.309 -9.289 1.00 0.00 C ATOM 1281 CG TYR A 84 58.885 7.743 -9.340 1.00 0.00 C ATOM 1282 CD1 TYR A 84 58.200 8.728 -8.619 1.00 0.00 C ATOM 1283 CD2 TYR A 84 60.005 8.087 -10.107 1.00 0.00 C ATOM 1284 CE1 TYR A 84 58.634 10.058 -8.666 1.00 0.00 C ATOM 1285 CE2 TYR A 84 60.439 9.417 -10.154 1.00 0.00 C ATOM 1286 CZ TYR A 84 59.753 10.403 -9.433 1.00 0.00 C ATOM 1287 OH TYR A 84 60.183 11.714 -9.479 1.00 0.00 O ATOM 0 H TYR A 84 57.187 4.329 -8.626 1.00 0.00 H new ATOM 0 HA TYR A 84 56.409 7.153 -9.108 1.00 0.00 H new ATOM 0 HB2 TYR A 84 58.680 5.863 -8.330 1.00 0.00 H new ATOM 0 HB3 TYR A 84 58.916 5.724 -10.061 1.00 0.00 H new ATOM 0 HD1 TYR A 84 57.337 8.462 -8.027 1.00 0.00 H new ATOM 0 HD2 TYR A 84 60.534 7.326 -10.662 1.00 0.00 H new ATOM 0 HE1 TYR A 84 58.105 10.818 -8.110 1.00 0.00 H new ATOM 0 HE2 TYR A 84 61.302 9.683 -10.746 1.00 0.00 H new ATOM 0 HH TYR A 84 60.972 11.779 -10.056 1.00 0.00 H new