USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 585 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 60 TYR OH : rot -15:sc= 0.854 USER MOD Set 1.2: A 70 SER OG : rot 151:sc= 1.09 USER MOD Set 2.1: A 1 MET CE :methyl -153:sc= -0.217 (180deg=-1.17) USER MOD Set 2.2: A 74 GLN : amide:sc=-0.00232 K(o=-0.22,f=-2!) USER MOD Single : A 1 MET N :NH3+ -173:sc= -2.72 (180deg=-3.14) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0101) USER MOD Single : A 28 MET CE :methyl -156:sc= -0.213 (180deg=-1.08) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -1.55! K(o=-1.5!,f=-1) USER MOD Single : A 39 MET CE :methyl 156:sc= -0.139 (180deg=-0.917) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.554 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -124:sc= 0.0774 (180deg=-0.844) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -131:sc= -1.48 (180deg=-3.28!) USER MOD Single : A 64 GLN : amide:sc= -0.25 K(o=-0.25,f=-0.9) USER MOD Single : A 71 THR OG1 : rot -77:sc= 0.108 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 71.310 0.829 -9.944 1.00 0.00 N ATOM 2 CA MET A 1 69.993 0.199 -10.244 1.00 0.00 C ATOM 3 C MET A 1 70.086 -1.292 -9.954 1.00 0.00 C ATOM 4 O MET A 1 69.453 -2.106 -10.627 1.00 0.00 O ATOM 5 CB MET A 1 69.673 0.420 -11.720 1.00 0.00 C ATOM 6 CG MET A 1 69.671 1.919 -12.011 1.00 0.00 C ATOM 7 SD MET A 1 68.335 2.721 -11.086 1.00 0.00 S ATOM 8 CE MET A 1 66.943 1.993 -11.990 1.00 0.00 C ATOM 0 H1 MET A 1 71.227 1.863 -10.024 1.00 0.00 H new ATOM 0 H2 MET A 1 71.602 0.579 -8.978 1.00 0.00 H new ATOM 0 H3 MET A 1 72.021 0.486 -10.621 1.00 0.00 H new ATOM 0 HA MET A 1 69.208 0.639 -9.630 1.00 0.00 H new ATOM 0 HB2 MET A 1 70.411 -0.083 -12.344 1.00 0.00 H new ATOM 0 HB3 MET A 1 68.702 -0.012 -11.963 1.00 0.00 H new ATOM 0 HG2 MET A 1 70.631 2.354 -11.733 1.00 0.00 H new ATOM 0 HG3 MET A 1 69.541 2.091 -13.079 1.00 0.00 H new ATOM 0 HE1 MET A 1 66.085 2.663 -11.938 1.00 0.00 H new ATOM 0 HE2 MET A 1 67.224 1.844 -13.033 1.00 0.00 H new ATOM 0 HE3 MET A 1 66.682 1.033 -11.544 1.00 0.00 H new ATOM 20 N TYR A 2 70.887 -1.643 -8.957 1.00 0.00 N ATOM 21 CA TYR A 2 71.070 -3.045 -8.600 1.00 0.00 C ATOM 22 C TYR A 2 69.835 -3.567 -7.872 1.00 0.00 C ATOM 23 O TYR A 2 69.348 -2.945 -6.927 1.00 0.00 O ATOM 24 CB TYR A 2 72.309 -3.202 -7.703 1.00 0.00 C ATOM 25 CG TYR A 2 72.861 -4.617 -7.802 1.00 0.00 C ATOM 26 CD1 TYR A 2 72.339 -5.651 -7.007 1.00 0.00 C ATOM 27 CD2 TYR A 2 73.905 -4.896 -8.703 1.00 0.00 C ATOM 28 CE1 TYR A 2 72.863 -6.946 -7.107 1.00 0.00 C ATOM 29 CE2 TYR A 2 74.425 -6.191 -8.796 1.00 0.00 C ATOM 30 CZ TYR A 2 73.905 -7.214 -8.001 1.00 0.00 C ATOM 31 OH TYR A 2 74.430 -8.488 -8.093 1.00 0.00 O ATOM 0 H TYR A 2 71.416 -0.984 -8.385 1.00 0.00 H new ATOM 0 HA TYR A 2 71.215 -3.623 -9.512 1.00 0.00 H new ATOM 0 HB2 TYR A 2 73.074 -2.485 -8.000 1.00 0.00 H new ATOM 0 HB3 TYR A 2 72.047 -2.979 -6.669 1.00 0.00 H new ATOM 0 HD1 TYR A 2 71.533 -5.447 -6.318 1.00 0.00 H new ATOM 0 HD2 TYR A 2 74.306 -4.109 -9.324 1.00 0.00 H new ATOM 0 HE1 TYR A 2 72.462 -7.739 -6.493 1.00 0.00 H new ATOM 0 HE2 TYR A 2 75.231 -6.400 -9.484 1.00 0.00 H new ATOM 0 HH TYR A 2 75.145 -8.499 -8.763 1.00 0.00 H new ATOM 41 N GLU A 3 69.331 -4.711 -8.321 1.00 0.00 N ATOM 42 CA GLU A 3 68.147 -5.315 -7.713 1.00 0.00 C ATOM 43 C GLU A 3 68.553 -6.474 -6.810 1.00 0.00 C ATOM 44 O GLU A 3 69.236 -7.401 -7.249 1.00 0.00 O ATOM 45 CB GLU A 3 67.208 -5.831 -8.809 1.00 0.00 C ATOM 46 CG GLU A 3 66.858 -4.686 -9.773 1.00 0.00 C ATOM 47 CD GLU A 3 67.974 -4.500 -10.799 1.00 0.00 C ATOM 48 OE1 GLU A 3 68.994 -5.155 -10.661 1.00 0.00 O ATOM 49 OE2 GLU A 3 67.794 -3.700 -11.702 1.00 0.00 O ATOM 0 H GLU A 3 69.721 -5.239 -9.102 1.00 0.00 H new ATOM 0 HA GLU A 3 67.634 -4.559 -7.118 1.00 0.00 H new ATOM 0 HB2 GLU A 3 67.684 -6.646 -9.355 1.00 0.00 H new ATOM 0 HB3 GLU A 3 66.299 -6.234 -8.362 1.00 0.00 H new ATOM 0 HG2 GLU A 3 65.919 -4.904 -10.282 1.00 0.00 H new ATOM 0 HG3 GLU A 3 66.711 -3.762 -9.214 1.00 0.00 H new ATOM 56 N PHE A 4 68.128 -6.429 -5.547 1.00 0.00 N ATOM 57 CA PHE A 4 68.457 -7.503 -4.603 1.00 0.00 C ATOM 58 C PHE A 4 67.421 -8.615 -4.719 1.00 0.00 C ATOM 59 O PHE A 4 66.238 -8.412 -4.448 1.00 0.00 O ATOM 60 CB PHE A 4 68.527 -6.952 -3.158 1.00 0.00 C ATOM 61 CG PHE A 4 68.418 -8.069 -2.118 1.00 0.00 C ATOM 62 CD1 PHE A 4 69.312 -9.160 -2.124 1.00 0.00 C ATOM 63 CD2 PHE A 4 67.402 -8.017 -1.144 1.00 0.00 C ATOM 64 CE1 PHE A 4 69.187 -10.175 -1.167 1.00 0.00 C ATOM 65 CE2 PHE A 4 67.282 -9.036 -0.195 1.00 0.00 C ATOM 66 CZ PHE A 4 68.173 -10.114 -0.207 1.00 0.00 C ATOM 0 H PHE A 4 67.564 -5.674 -5.156 1.00 0.00 H new ATOM 0 HA PHE A 4 69.437 -7.912 -4.847 1.00 0.00 H new ATOM 0 HB2 PHE A 4 69.466 -6.416 -3.019 1.00 0.00 H new ATOM 0 HB3 PHE A 4 67.723 -6.232 -3.004 1.00 0.00 H new ATOM 0 HD1 PHE A 4 70.094 -9.213 -2.867 1.00 0.00 H new ATOM 0 HD2 PHE A 4 66.712 -7.186 -1.130 1.00 0.00 H new ATOM 0 HE1 PHE A 4 69.876 -11.007 -1.171 1.00 0.00 H new ATOM 0 HE2 PHE A 4 66.500 -8.991 0.549 1.00 0.00 H new ATOM 0 HZ PHE A 4 68.077 -10.901 0.527 1.00 0.00 H new ATOM 76 N LYS A 5 67.882 -9.791 -5.141 1.00 0.00 N ATOM 77 CA LYS A 5 67.004 -10.949 -5.321 1.00 0.00 C ATOM 78 C LYS A 5 67.518 -12.145 -4.531 1.00 0.00 C ATOM 79 O LYS A 5 68.723 -12.323 -4.380 1.00 0.00 O ATOM 80 CB LYS A 5 66.946 -11.312 -6.807 1.00 0.00 C ATOM 81 CG LYS A 5 66.237 -10.194 -7.574 1.00 0.00 C ATOM 82 CD LYS A 5 66.200 -10.535 -9.065 1.00 0.00 C ATOM 83 CE LYS A 5 65.463 -9.430 -9.825 1.00 0.00 C ATOM 84 NZ LYS A 5 65.388 -9.791 -11.268 1.00 0.00 N ATOM 0 H LYS A 5 68.861 -9.969 -5.366 1.00 0.00 H new ATOM 0 HA LYS A 5 66.009 -10.693 -4.957 1.00 0.00 H new ATOM 0 HB2 LYS A 5 67.954 -11.454 -7.198 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.415 -12.255 -6.942 1.00 0.00 H new ATOM 0 HG2 LYS A 5 65.223 -10.066 -7.195 1.00 0.00 H new ATOM 0 HG3 LYS A 5 66.756 -9.248 -7.420 1.00 0.00 H new ATOM 0 HD2 LYS A 5 67.214 -10.641 -9.450 1.00 0.00 H new ATOM 0 HD3 LYS A 5 65.700 -11.491 -9.218 1.00 0.00 H new ATOM 0 HE2 LYS A 5 64.460 -9.300 -9.418 1.00 0.00 H new ATOM 0 HE3 LYS A 5 65.983 -8.480 -9.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 64.888 -9.042 -11.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 66.350 -9.895 -11.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 64.874 -10.689 -11.375 1.00 0.00 H new ATOM 98 N LEU A 6 66.589 -12.967 -4.049 1.00 0.00 N ATOM 99 CA LEU A 6 66.946 -14.173 -3.286 1.00 0.00 C ATOM 100 C LEU A 6 67.456 -15.252 -4.258 1.00 0.00 C ATOM 101 O LEU A 6 66.665 -15.770 -5.047 1.00 0.00 O ATOM 102 CB LEU A 6 65.711 -14.720 -2.532 1.00 0.00 C ATOM 103 CG LEU A 6 66.149 -15.653 -1.390 1.00 0.00 C ATOM 104 CD1 LEU A 6 64.932 -16.001 -0.527 1.00 0.00 C ATOM 105 CD2 LEU A 6 66.761 -16.946 -1.958 1.00 0.00 C ATOM 0 H LEU A 6 65.586 -12.826 -4.169 1.00 0.00 H new ATOM 0 HA LEU A 6 67.720 -13.917 -2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 6 65.127 -13.892 -2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 6 65.065 -15.260 -3.224 1.00 0.00 H new ATOM 0 HG LEU A 6 66.900 -15.145 -0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 6 65.238 -16.662 0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 6 64.509 -15.087 -0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 6 64.182 -16.501 -1.140 1.00 0.00 H new ATOM 0 HD21 LEU A 6 67.066 -17.595 -1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 6 66.021 -17.460 -2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 6 67.630 -16.700 -2.568 1.00 0.00 H new ATOM 117 N PRO A 7 68.728 -15.619 -4.247 1.00 0.00 N ATOM 118 CA PRO A 7 69.235 -16.667 -5.187 1.00 0.00 C ATOM 119 C PRO A 7 68.500 -17.997 -5.027 1.00 0.00 C ATOM 120 O PRO A 7 68.150 -18.397 -3.916 1.00 0.00 O ATOM 121 CB PRO A 7 70.725 -16.826 -4.818 1.00 0.00 C ATOM 122 CG PRO A 7 71.086 -15.573 -4.096 1.00 0.00 C ATOM 123 CD PRO A 7 69.817 -15.112 -3.379 1.00 0.00 C ATOM 0 HA PRO A 7 69.079 -16.375 -6.226 1.00 0.00 H new ATOM 0 HB2 PRO A 7 70.883 -17.702 -4.189 1.00 0.00 H new ATOM 0 HB3 PRO A 7 71.339 -16.958 -5.709 1.00 0.00 H new ATOM 0 HG2 PRO A 7 71.892 -15.752 -3.384 1.00 0.00 H new ATOM 0 HG3 PRO A 7 71.439 -14.811 -4.791 1.00 0.00 H new ATOM 0 HD2 PRO A 7 69.753 -15.524 -2.372 1.00 0.00 H new ATOM 0 HD3 PRO A 7 69.782 -14.027 -3.283 1.00 0.00 H new ATOM 221 N GLU A 15 60.133 -20.778 -2.267 1.00 0.00 N ATOM 222 CA GLU A 15 59.180 -19.790 -1.742 1.00 0.00 C ATOM 223 C GLU A 15 59.902 -18.816 -0.819 1.00 0.00 C ATOM 224 O GLU A 15 60.816 -19.204 -0.091 1.00 0.00 O ATOM 225 CB GLU A 15 58.057 -20.504 -0.983 1.00 0.00 C ATOM 226 CG GLU A 15 57.053 -19.489 -0.428 1.00 0.00 C ATOM 227 CD GLU A 15 55.946 -20.225 0.317 1.00 0.00 C ATOM 228 OE1 GLU A 15 55.808 -21.417 0.101 1.00 0.00 O ATOM 229 OE2 GLU A 15 55.263 -19.591 1.105 1.00 0.00 O ATOM 0 HA GLU A 15 58.746 -19.233 -2.572 1.00 0.00 H new ATOM 0 HB2 GLU A 15 57.548 -21.202 -1.648 1.00 0.00 H new ATOM 0 HB3 GLU A 15 58.478 -21.091 -0.167 1.00 0.00 H new ATOM 0 HG2 GLU A 15 57.557 -18.793 0.243 1.00 0.00 H new ATOM 0 HG3 GLU A 15 56.629 -18.899 -1.241 1.00 0.00 H new ATOM 236 N GLY A 16 59.490 -17.548 -0.854 1.00 0.00 N ATOM 237 CA GLY A 16 60.109 -16.516 -0.016 1.00 0.00 C ATOM 238 C GLY A 16 59.057 -15.830 0.854 1.00 0.00 C ATOM 239 O GLY A 16 57.997 -15.443 0.362 1.00 0.00 O ATOM 0 H GLY A 16 58.734 -17.210 -1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 16 60.876 -16.964 0.616 1.00 0.00 H new ATOM 0 HA3 GLY A 16 60.606 -15.778 -0.646 1.00 0.00 H new ATOM 243 N GLU A 17 59.353 -15.667 2.146 1.00 0.00 N ATOM 244 CA GLU A 17 58.421 -15.012 3.064 1.00 0.00 C ATOM 245 C GLU A 17 59.186 -14.109 4.022 1.00 0.00 C ATOM 246 O GLU A 17 60.211 -14.501 4.580 1.00 0.00 O ATOM 247 CB GLU A 17 57.638 -16.064 3.851 1.00 0.00 C ATOM 248 CG GLU A 17 56.595 -15.380 4.738 1.00 0.00 C ATOM 249 CD GLU A 17 55.772 -16.437 5.466 1.00 0.00 C ATOM 250 OE1 GLU A 17 55.867 -17.594 5.090 1.00 0.00 O ATOM 251 OE2 GLU A 17 55.063 -16.079 6.392 1.00 0.00 O ATOM 0 H GLU A 17 60.224 -15.977 2.577 1.00 0.00 H new ATOM 0 HA GLU A 17 57.721 -14.407 2.488 1.00 0.00 H new ATOM 0 HB2 GLU A 17 57.148 -16.754 3.164 1.00 0.00 H new ATOM 0 HB3 GLU A 17 58.319 -16.654 4.464 1.00 0.00 H new ATOM 0 HG2 GLU A 17 57.087 -14.727 5.459 1.00 0.00 H new ATOM 0 HG3 GLU A 17 55.943 -14.751 4.132 1.00 0.00 H new ATOM 258 N ILE A 18 58.693 -12.884 4.188 1.00 0.00 N ATOM 259 CA ILE A 18 59.347 -11.907 5.064 1.00 0.00 C ATOM 260 C ILE A 18 58.623 -11.766 6.398 1.00 0.00 C ATOM 261 O ILE A 18 57.449 -11.399 6.448 1.00 0.00 O ATOM 262 CB ILE A 18 59.390 -10.552 4.358 1.00 0.00 C ATOM 263 CG1 ILE A 18 60.178 -10.669 3.031 1.00 0.00 C ATOM 264 CG2 ILE A 18 60.045 -9.519 5.274 1.00 0.00 C ATOM 265 CD1 ILE A 18 61.694 -10.550 3.273 1.00 0.00 C ATOM 0 H ILE A 18 57.847 -12.543 3.731 1.00 0.00 H new ATOM 0 HA ILE A 18 60.357 -12.261 5.272 1.00 0.00 H new ATOM 0 HB ILE A 18 58.373 -10.232 4.130 1.00 0.00 H new ATOM 0 HG12 ILE A 18 59.957 -11.625 2.556 1.00 0.00 H new ATOM 0 HG13 ILE A 18 59.854 -9.888 2.342 1.00 0.00 H new ATOM 0 HG21 ILE A 18 60.075 -8.553 4.770 1.00 0.00 H new ATOM 0 HG22 ILE A 18 59.467 -9.430 6.194 1.00 0.00 H new ATOM 0 HG23 ILE A 18 61.060 -9.836 5.512 1.00 0.00 H new ATOM 0 HD11 ILE A 18 62.222 -10.636 2.323 1.00 0.00 H new ATOM 0 HD12 ILE A 18 61.915 -9.583 3.725 1.00 0.00 H new ATOM 0 HD13 ILE A 18 62.019 -11.347 3.942 1.00 0.00 H new ATOM 277 N VAL A 19 59.338 -12.066 7.481 1.00 0.00 N ATOM 278 CA VAL A 19 58.771 -11.979 8.825 1.00 0.00 C ATOM 279 C VAL A 19 59.159 -10.675 9.529 1.00 0.00 C ATOM 280 O VAL A 19 58.358 -10.117 10.278 1.00 0.00 O ATOM 281 CB VAL A 19 59.247 -13.176 9.648 1.00 0.00 C ATOM 282 CG1 VAL A 19 60.761 -13.093 9.851 1.00 0.00 C ATOM 283 CG2 VAL A 19 58.548 -13.181 11.010 1.00 0.00 C ATOM 0 H VAL A 19 60.311 -12.371 7.454 1.00 0.00 H new ATOM 0 HA VAL A 19 57.685 -11.989 8.736 1.00 0.00 H new ATOM 0 HB VAL A 19 59.003 -14.095 9.115 1.00 0.00 H new ATOM 0 HG11 VAL A 19 61.097 -13.948 10.438 1.00 0.00 H new ATOM 0 HG12 VAL A 19 61.259 -13.100 8.881 1.00 0.00 H new ATOM 0 HG13 VAL A 19 61.007 -12.171 10.378 1.00 0.00 H new ATOM 0 HG21 VAL A 19 58.891 -14.036 11.592 1.00 0.00 H new ATOM 0 HG22 VAL A 19 58.784 -12.261 11.544 1.00 0.00 H new ATOM 0 HG23 VAL A 19 57.470 -13.250 10.865 1.00 0.00 H new ATOM 293 N ARG A 20 60.396 -10.200 9.323 1.00 0.00 N ATOM 294 CA ARG A 20 60.854 -8.970 9.994 1.00 0.00 C ATOM 295 C ARG A 20 61.718 -8.076 9.091 1.00 0.00 C ATOM 296 O ARG A 20 62.666 -8.540 8.458 1.00 0.00 O ATOM 297 CB ARG A 20 61.665 -9.364 11.236 1.00 0.00 C ATOM 298 CG ARG A 20 62.108 -8.116 12.010 1.00 0.00 C ATOM 299 CD ARG A 20 62.918 -8.543 13.234 1.00 0.00 C ATOM 300 NE ARG A 20 63.213 -7.387 14.072 1.00 0.00 N ATOM 301 CZ ARG A 20 63.902 -7.512 15.201 1.00 0.00 C ATOM 302 NH1 ARG A 20 64.346 -8.684 15.567 1.00 0.00 N ATOM 303 NH2 ARG A 20 64.133 -6.463 15.943 1.00 0.00 N ATOM 0 H ARG A 20 61.086 -10.636 8.711 1.00 0.00 H new ATOM 0 HA ARG A 20 59.969 -8.392 10.259 1.00 0.00 H new ATOM 0 HB2 ARG A 20 61.064 -10.004 11.881 1.00 0.00 H new ATOM 0 HB3 ARG A 20 62.539 -9.943 10.938 1.00 0.00 H new ATOM 0 HG2 ARG A 20 62.709 -7.470 11.369 1.00 0.00 H new ATOM 0 HG3 ARG A 20 61.237 -7.537 12.319 1.00 0.00 H new ATOM 0 HD2 ARG A 20 62.361 -9.284 13.807 1.00 0.00 H new ATOM 0 HD3 ARG A 20 63.847 -9.018 12.917 1.00 0.00 H new ATOM 0 HE ARG A 20 62.884 -6.465 13.786 1.00 0.00 H new ATOM 0 HH11 ARG A 20 64.164 -9.503 14.986 1.00 0.00 H new ATOM 0 HH12 ARG A 20 64.875 -8.781 16.434 1.00 0.00 H new ATOM 0 HH21 ARG A 20 63.785 -5.548 15.656 1.00 0.00 H new ATOM 0 HH22 ARG A 20 64.662 -6.558 16.810 1.00 0.00 H new ATOM 317 N TRP A 21 61.407 -6.770 9.092 1.00 0.00 N ATOM 318 CA TRP A 21 62.179 -5.771 8.329 1.00 0.00 C ATOM 319 C TRP A 21 62.929 -4.890 9.338 1.00 0.00 C ATOM 320 O TRP A 21 62.404 -4.619 10.418 1.00 0.00 O ATOM 321 CB TRP A 21 61.250 -4.863 7.478 1.00 0.00 C ATOM 322 CG TRP A 21 60.918 -5.474 6.146 1.00 0.00 C ATOM 323 CD1 TRP A 21 59.667 -5.804 5.749 1.00 0.00 C ATOM 324 CD2 TRP A 21 61.795 -5.782 5.012 1.00 0.00 C ATOM 325 NE1 TRP A 21 59.721 -6.317 4.466 1.00 0.00 N ATOM 326 CE2 TRP A 21 61.007 -6.323 3.969 1.00 0.00 C ATOM 327 CE3 TRP A 21 63.181 -5.660 4.787 1.00 0.00 C ATOM 328 CZ2 TRP A 21 61.563 -6.718 2.751 1.00 0.00 C ATOM 329 CZ3 TRP A 21 63.745 -6.058 3.560 1.00 0.00 C ATOM 330 CH2 TRP A 21 62.937 -6.585 2.546 1.00 0.00 C ATOM 0 H TRP A 21 60.623 -6.378 9.614 1.00 0.00 H new ATOM 0 HA TRP A 21 62.861 -6.289 7.654 1.00 0.00 H new ATOM 0 HB2 TRP A 21 60.328 -4.673 8.028 1.00 0.00 H new ATOM 0 HB3 TRP A 21 61.732 -3.898 7.322 1.00 0.00 H new ATOM 0 HD1 TRP A 21 58.770 -5.686 6.339 1.00 0.00 H new ATOM 0 HE1 TRP A 21 58.907 -6.651 3.949 1.00 0.00 H new ATOM 0 HE3 TRP A 21 63.816 -5.258 5.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 60.934 -7.124 1.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 64.808 -5.956 3.400 1.00 0.00 H new ATOM 0 HH2 TRP A 21 63.376 -6.888 1.607 1.00 0.00 H new ATOM 341 N ASP A 22 64.148 -4.444 9.003 1.00 0.00 N ATOM 342 CA ASP A 22 64.924 -3.591 9.923 1.00 0.00 C ATOM 343 C ASP A 22 65.421 -2.329 9.222 1.00 0.00 C ATOM 344 O ASP A 22 66.352 -1.674 9.690 1.00 0.00 O ATOM 345 CB ASP A 22 66.115 -4.363 10.492 1.00 0.00 C ATOM 346 CG ASP A 22 66.865 -3.489 11.493 1.00 0.00 C ATOM 347 OD1 ASP A 22 66.282 -2.522 11.956 1.00 0.00 O ATOM 348 OD2 ASP A 22 68.010 -3.797 11.781 1.00 0.00 O ATOM 0 H ASP A 22 64.614 -4.653 8.120 1.00 0.00 H new ATOM 0 HA ASP A 22 64.261 -3.297 10.737 1.00 0.00 H new ATOM 0 HB2 ASP A 22 65.770 -5.275 10.978 1.00 0.00 H new ATOM 0 HB3 ASP A 22 66.784 -4.665 9.686 1.00 0.00 H new ATOM 353 N VAL A 23 64.786 -1.976 8.106 1.00 0.00 N ATOM 354 CA VAL A 23 65.163 -0.773 7.359 1.00 0.00 C ATOM 355 C VAL A 23 63.915 -0.009 6.924 1.00 0.00 C ATOM 356 O VAL A 23 62.838 -0.591 6.794 1.00 0.00 O ATOM 357 CB VAL A 23 66.014 -1.158 6.139 1.00 0.00 C ATOM 358 CG1 VAL A 23 67.039 -2.218 6.558 1.00 0.00 C ATOM 359 CG2 VAL A 23 65.122 -1.717 5.010 1.00 0.00 C ATOM 0 H VAL A 23 64.012 -2.501 7.699 1.00 0.00 H new ATOM 0 HA VAL A 23 65.755 -0.125 8.005 1.00 0.00 H new ATOM 0 HB VAL A 23 66.526 -0.270 5.768 1.00 0.00 H new ATOM 0 HG11 VAL A 23 67.647 -2.497 5.697 1.00 0.00 H new ATOM 0 HG12 VAL A 23 67.681 -1.814 7.340 1.00 0.00 H new ATOM 0 HG13 VAL A 23 66.519 -3.099 6.935 1.00 0.00 H new ATOM 0 HG21 VAL A 23 65.742 -1.984 4.155 1.00 0.00 H new ATOM 0 HG22 VAL A 23 64.595 -2.602 5.367 1.00 0.00 H new ATOM 0 HG23 VAL A 23 64.397 -0.960 4.710 1.00 0.00 H new ATOM 369 N LYS A 24 64.068 1.298 6.703 1.00 0.00 N ATOM 370 CA LYS A 24 62.948 2.144 6.285 1.00 0.00 C ATOM 371 C LYS A 24 63.318 2.944 5.039 1.00 0.00 C ATOM 372 O LYS A 24 64.466 3.353 4.865 1.00 0.00 O ATOM 373 CB LYS A 24 62.577 3.109 7.412 1.00 0.00 C ATOM 374 CG LYS A 24 62.011 2.323 8.596 1.00 0.00 C ATOM 375 CD LYS A 24 61.651 3.294 9.721 1.00 0.00 C ATOM 376 CE LYS A 24 60.980 2.532 10.864 1.00 0.00 C ATOM 377 NZ LYS A 24 62.012 1.787 11.640 1.00 0.00 N ATOM 0 H LYS A 24 64.954 1.793 6.806 1.00 0.00 H new ATOM 0 HA LYS A 24 62.098 1.502 6.056 1.00 0.00 H new ATOM 0 HB2 LYS A 24 63.455 3.674 7.724 1.00 0.00 H new ATOM 0 HB3 LYS A 24 61.842 3.832 7.058 1.00 0.00 H new ATOM 0 HG2 LYS A 24 61.128 1.763 8.287 1.00 0.00 H new ATOM 0 HG3 LYS A 24 62.743 1.596 8.948 1.00 0.00 H new ATOM 0 HD2 LYS A 24 62.549 3.795 10.083 1.00 0.00 H new ATOM 0 HD3 LYS A 24 60.982 4.069 9.346 1.00 0.00 H new ATOM 0 HE2 LYS A 24 60.451 3.226 11.516 1.00 0.00 H new ATOM 0 HE3 LYS A 24 60.238 1.839 10.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 61.568 1.338 12.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 62.439 1.056 11.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 62.750 2.447 11.959 1.00 0.00 H new ATOM 391 N GLU A 25 62.332 3.152 4.175 1.00 0.00 N ATOM 392 CA GLU A 25 62.545 3.896 2.939 1.00 0.00 C ATOM 393 C GLU A 25 63.003 5.324 3.230 1.00 0.00 C ATOM 394 O GLU A 25 62.479 5.984 4.127 1.00 0.00 O ATOM 395 CB GLU A 25 61.250 3.929 2.123 1.00 0.00 C ATOM 396 CG GLU A 25 60.080 4.317 3.030 1.00 0.00 C ATOM 397 CD GLU A 25 58.804 4.462 2.207 1.00 0.00 C ATOM 398 OE1 GLU A 25 58.890 4.960 1.097 1.00 0.00 O ATOM 399 OE2 GLU A 25 57.757 4.074 2.702 1.00 0.00 O ATOM 0 H GLU A 25 61.378 2.816 4.307 1.00 0.00 H new ATOM 0 HA GLU A 25 63.326 3.393 2.369 1.00 0.00 H new ATOM 0 HB2 GLU A 25 61.342 4.644 1.305 1.00 0.00 H new ATOM 0 HB3 GLU A 25 61.067 2.953 1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 25 59.941 3.559 3.801 1.00 0.00 H new ATOM 0 HG3 GLU A 25 60.301 5.254 3.541 1.00 0.00 H new ATOM 406 N GLY A 26 63.981 5.799 2.458 1.00 0.00 N ATOM 407 CA GLY A 26 64.498 7.156 2.630 1.00 0.00 C ATOM 408 C GLY A 26 65.640 7.213 3.645 1.00 0.00 C ATOM 409 O GLY A 26 66.087 8.298 4.015 1.00 0.00 O ATOM 0 H GLY A 26 64.429 5.267 1.712 1.00 0.00 H new ATOM 0 HA2 GLY A 26 64.848 7.534 1.670 1.00 0.00 H new ATOM 0 HA3 GLY A 26 63.691 7.812 2.956 1.00 0.00 H new ATOM 413 N ASP A 27 66.109 6.048 4.100 1.00 0.00 N ATOM 414 CA ASP A 27 67.204 5.996 5.083 1.00 0.00 C ATOM 415 C ASP A 27 68.434 5.309 4.499 1.00 0.00 C ATOM 416 O ASP A 27 68.323 4.404 3.670 1.00 0.00 O ATOM 417 CB ASP A 27 66.751 5.241 6.332 1.00 0.00 C ATOM 418 CG ASP A 27 65.702 6.054 7.085 1.00 0.00 C ATOM 419 OD1 ASP A 27 65.604 7.242 6.823 1.00 0.00 O ATOM 420 OD2 ASP A 27 65.006 5.474 7.901 1.00 0.00 O ATOM 0 H ASP A 27 65.755 5.136 3.810 1.00 0.00 H new ATOM 0 HA ASP A 27 67.467 7.021 5.346 1.00 0.00 H new ATOM 0 HB2 ASP A 27 66.338 4.272 6.051 1.00 0.00 H new ATOM 0 HB3 ASP A 27 67.606 5.048 6.980 1.00 0.00 H new ATOM 425 N MET A 28 69.611 5.750 4.944 1.00 0.00 N ATOM 426 CA MET A 28 70.871 5.180 4.468 1.00 0.00 C ATOM 427 C MET A 28 71.232 3.922 5.256 1.00 0.00 C ATOM 428 O MET A 28 70.937 3.816 6.448 1.00 0.00 O ATOM 429 CB MET A 28 72.007 6.203 4.608 1.00 0.00 C ATOM 430 CG MET A 28 71.720 7.434 3.740 1.00 0.00 C ATOM 431 SD MET A 28 71.649 6.960 1.993 1.00 0.00 S ATOM 432 CE MET A 28 73.391 6.510 1.787 1.00 0.00 C ATOM 0 H MET A 28 69.718 6.497 5.630 1.00 0.00 H new ATOM 0 HA MET A 28 70.742 4.918 3.418 1.00 0.00 H new ATOM 0 HB2 MET A 28 72.112 6.501 5.651 1.00 0.00 H new ATOM 0 HB3 MET A 28 72.953 5.751 4.309 1.00 0.00 H new ATOM 0 HG2 MET A 28 70.776 7.888 4.040 1.00 0.00 H new ATOM 0 HG3 MET A 28 72.497 8.184 3.890 1.00 0.00 H new ATOM 0 HE1 MET A 28 73.668 6.597 0.736 1.00 0.00 H new ATOM 0 HE2 MET A 28 74.012 7.179 2.383 1.00 0.00 H new ATOM 0 HE3 MET A 28 73.543 5.483 2.118 1.00 0.00 H new ATOM 442 N VAL A 29 71.893 2.975 4.584 1.00 0.00 N ATOM 443 CA VAL A 29 72.319 1.724 5.230 1.00 0.00 C ATOM 444 C VAL A 29 73.773 1.415 4.877 1.00 0.00 C ATOM 445 O VAL A 29 74.175 1.517 3.718 1.00 0.00 O ATOM 446 CB VAL A 29 71.407 0.551 4.814 1.00 0.00 C ATOM 447 CG1 VAL A 29 71.714 0.092 3.381 1.00 0.00 C ATOM 448 CG2 VAL A 29 71.630 -0.619 5.779 1.00 0.00 C ATOM 0 H VAL A 29 72.145 3.047 3.598 1.00 0.00 H new ATOM 0 HA VAL A 29 72.237 1.853 6.309 1.00 0.00 H new ATOM 0 HB VAL A 29 70.370 0.885 4.852 1.00 0.00 H new ATOM 0 HG11 VAL A 29 71.056 -0.735 3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 29 71.552 0.920 2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 29 72.752 -0.235 3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 29 70.990 -1.453 5.493 1.00 0.00 H new ATOM 0 HG22 VAL A 29 72.673 -0.931 5.737 1.00 0.00 H new ATOM 0 HG23 VAL A 29 71.386 -0.305 6.794 1.00 0.00 H new ATOM 458 N GLU A 30 74.559 1.050 5.890 1.00 0.00 N ATOM 459 CA GLU A 30 75.977 0.740 5.690 1.00 0.00 C ATOM 460 C GLU A 30 76.184 -0.750 5.419 1.00 0.00 C ATOM 461 O GLU A 30 75.343 -1.578 5.768 1.00 0.00 O ATOM 462 CB GLU A 30 76.776 1.150 6.931 1.00 0.00 C ATOM 463 CG GLU A 30 76.784 2.675 7.055 1.00 0.00 C ATOM 464 CD GLU A 30 77.486 3.082 8.346 1.00 0.00 C ATOM 465 OE1 GLU A 30 77.982 2.201 9.028 1.00 0.00 O ATOM 466 OE2 GLU A 30 77.524 4.268 8.629 1.00 0.00 O ATOM 0 H GLU A 30 74.240 0.962 6.855 1.00 0.00 H new ATOM 0 HA GLU A 30 76.327 1.299 4.822 1.00 0.00 H new ATOM 0 HB2 GLU A 30 76.336 0.705 7.823 1.00 0.00 H new ATOM 0 HB3 GLU A 30 77.797 0.775 6.859 1.00 0.00 H new ATOM 0 HG2 GLU A 30 77.293 3.116 6.198 1.00 0.00 H new ATOM 0 HG3 GLU A 30 75.763 3.055 7.050 1.00 0.00 H new ATOM 473 N LYS A 31 77.314 -1.078 4.795 1.00 0.00 N ATOM 474 CA LYS A 31 77.638 -2.465 4.474 1.00 0.00 C ATOM 475 C LYS A 31 77.827 -3.280 5.752 1.00 0.00 C ATOM 476 O LYS A 31 78.450 -2.810 6.704 1.00 0.00 O ATOM 477 CB LYS A 31 78.921 -2.510 3.632 1.00 0.00 C ATOM 478 CG LYS A 31 79.263 -3.955 3.259 1.00 0.00 C ATOM 479 CD LYS A 31 80.493 -3.967 2.349 1.00 0.00 C ATOM 480 CE LYS A 31 80.822 -5.408 1.959 1.00 0.00 C ATOM 481 NZ LYS A 31 81.993 -5.423 1.038 1.00 0.00 N ATOM 0 H LYS A 31 78.020 -0.402 4.502 1.00 0.00 H new ATOM 0 HA LYS A 31 76.814 -2.897 3.906 1.00 0.00 H new ATOM 0 HB2 LYS A 31 78.791 -1.915 2.728 1.00 0.00 H new ATOM 0 HB3 LYS A 31 79.746 -2.067 4.190 1.00 0.00 H new ATOM 0 HG2 LYS A 31 79.457 -4.538 4.159 1.00 0.00 H new ATOM 0 HG3 LYS A 31 78.418 -4.421 2.753 1.00 0.00 H new ATOM 0 HD2 LYS A 31 80.304 -3.371 1.456 1.00 0.00 H new ATOM 0 HD3 LYS A 31 81.342 -3.514 2.861 1.00 0.00 H new ATOM 0 HE2 LYS A 31 81.041 -5.996 2.851 1.00 0.00 H new ATOM 0 HE3 LYS A 31 79.961 -5.870 1.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 82.215 -6.404 0.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 81.768 -4.877 0.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 82.814 -4.998 1.514 1.00 0.00 H new ATOM 495 N ASP A 32 77.284 -4.498 5.760 1.00 0.00 N ATOM 496 CA ASP A 32 77.391 -5.386 6.916 1.00 0.00 C ATOM 497 C ASP A 32 76.750 -4.769 8.159 1.00 0.00 C ATOM 498 O ASP A 32 77.253 -4.940 9.270 1.00 0.00 O ATOM 499 CB ASP A 32 78.860 -5.719 7.208 1.00 0.00 C ATOM 500 CG ASP A 32 79.427 -6.607 6.105 1.00 0.00 C ATOM 501 OD1 ASP A 32 78.646 -7.104 5.310 1.00 0.00 O ATOM 502 OD2 ASP A 32 80.636 -6.771 6.067 1.00 0.00 O ATOM 0 H ASP A 32 76.764 -4.892 4.976 1.00 0.00 H new ATOM 0 HA ASP A 32 76.854 -6.303 6.671 1.00 0.00 H new ATOM 0 HB2 ASP A 32 79.442 -4.800 7.280 1.00 0.00 H new ATOM 0 HB3 ASP A 32 78.942 -6.224 8.170 1.00 0.00 H new ATOM 507 N GLN A 33 75.637 -4.055 7.973 1.00 0.00 N ATOM 508 CA GLN A 33 74.934 -3.422 9.095 1.00 0.00 C ATOM 509 C GLN A 33 73.423 -3.483 8.872 1.00 0.00 C ATOM 510 O GLN A 33 72.843 -2.540 8.330 1.00 0.00 O ATOM 511 CB GLN A 33 75.346 -1.949 9.206 1.00 0.00 C ATOM 512 CG GLN A 33 76.833 -1.830 9.558 1.00 0.00 C ATOM 513 CD GLN A 33 77.102 -2.432 10.935 1.00 0.00 C ATOM 514 OE1 GLN A 33 76.446 -2.071 11.912 1.00 0.00 O ATOM 515 NE2 GLN A 33 78.035 -3.335 11.070 1.00 0.00 N ATOM 0 H GLN A 33 75.204 -3.900 7.062 1.00 0.00 H new ATOM 0 HA GLN A 33 75.197 -3.955 10.009 1.00 0.00 H new ATOM 0 HB2 GLN A 33 75.148 -1.438 8.264 1.00 0.00 H new ATOM 0 HB3 GLN A 33 74.745 -1.454 9.969 1.00 0.00 H new ATOM 0 HG2 GLN A 33 77.434 -2.342 8.806 1.00 0.00 H new ATOM 0 HG3 GLN A 33 77.134 -0.782 9.547 1.00 0.00 H new ATOM 0 HE21 GLN A 33 78.578 -3.633 10.259 1.00 0.00 H new ATOM 0 HE22 GLN A 33 78.221 -3.743 11.986 1.00 0.00 H new ATOM 524 N ASP A 34 72.787 -4.581 9.287 1.00 0.00 N ATOM 525 CA ASP A 34 71.346 -4.727 9.114 1.00 0.00 C ATOM 526 C ASP A 34 70.863 -6.001 9.796 1.00 0.00 C ATOM 527 O ASP A 34 71.655 -6.900 10.082 1.00 0.00 O ATOM 528 CB ASP A 34 70.994 -4.787 7.625 1.00 0.00 C ATOM 529 CG ASP A 34 69.484 -4.676 7.447 1.00 0.00 C ATOM 530 OD1 ASP A 34 68.829 -4.232 8.376 1.00 0.00 O ATOM 531 OD2 ASP A 34 69.005 -5.035 6.383 1.00 0.00 O ATOM 0 H ASP A 34 73.244 -5.372 9.740 1.00 0.00 H new ATOM 0 HA ASP A 34 70.856 -3.865 9.566 1.00 0.00 H new ATOM 0 HB2 ASP A 34 71.493 -3.978 7.091 1.00 0.00 H new ATOM 0 HB3 ASP A 34 71.353 -5.722 7.194 1.00 0.00 H new ATOM 536 N LEU A 35 69.556 -6.086 10.029 1.00 0.00 N ATOM 537 CA LEU A 35 68.966 -7.270 10.657 1.00 0.00 C ATOM 538 C LEU A 35 67.721 -7.691 9.895 1.00 0.00 C ATOM 539 O LEU A 35 66.612 -7.261 10.200 1.00 0.00 O ATOM 540 CB LEU A 35 68.605 -6.985 12.118 1.00 0.00 C ATOM 541 CG LEU A 35 69.886 -6.738 12.927 1.00 0.00 C ATOM 542 CD1 LEU A 35 69.513 -6.146 14.291 1.00 0.00 C ATOM 543 CD2 LEU A 35 70.666 -8.054 13.128 1.00 0.00 C ATOM 0 H LEU A 35 68.886 -5.354 9.794 1.00 0.00 H new ATOM 0 HA LEU A 35 69.699 -8.076 10.631 1.00 0.00 H new ATOM 0 HB2 LEU A 35 67.951 -6.115 12.178 1.00 0.00 H new ATOM 0 HB3 LEU A 35 68.054 -7.827 12.538 1.00 0.00 H new ATOM 0 HG LEU A 35 70.521 -6.041 12.380 1.00 0.00 H new ATOM 0 HD11 LEU A 35 70.419 -5.968 14.871 1.00 0.00 H new ATOM 0 HD12 LEU A 35 68.984 -5.204 14.146 1.00 0.00 H new ATOM 0 HD13 LEU A 35 68.870 -6.844 14.827 1.00 0.00 H new ATOM 0 HD21 LEU A 35 71.570 -7.857 13.704 1.00 0.00 H new ATOM 0 HD22 LEU A 35 70.042 -8.768 13.666 1.00 0.00 H new ATOM 0 HD23 LEU A 35 70.937 -8.468 12.157 1.00 0.00 H new ATOM 555 N VAL A 36 67.923 -8.549 8.905 1.00 0.00 N ATOM 556 CA VAL A 36 66.829 -9.056 8.080 1.00 0.00 C ATOM 557 C VAL A 36 66.711 -10.563 8.276 1.00 0.00 C ATOM 558 O VAL A 36 67.698 -11.294 8.198 1.00 0.00 O ATOM 559 CB VAL A 36 67.086 -8.701 6.588 1.00 0.00 C ATOM 560 CG1 VAL A 36 68.598 -8.624 6.328 1.00 0.00 C ATOM 561 CG2 VAL A 36 66.465 -9.773 5.670 1.00 0.00 C ATOM 0 H VAL A 36 68.841 -8.913 8.650 1.00 0.00 H new ATOM 0 HA VAL A 36 65.889 -8.592 8.379 1.00 0.00 H new ATOM 0 HB VAL A 36 66.626 -7.736 6.373 1.00 0.00 H new ATOM 0 HG11 VAL A 36 68.775 -8.375 5.282 1.00 0.00 H new ATOM 0 HG12 VAL A 36 69.038 -7.855 6.963 1.00 0.00 H new ATOM 0 HG13 VAL A 36 69.056 -9.587 6.554 1.00 0.00 H new ATOM 0 HG21 VAL A 36 66.652 -9.513 4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 36 66.913 -10.742 5.888 1.00 0.00 H new ATOM 0 HG23 VAL A 36 65.390 -9.823 5.844 1.00 0.00 H new ATOM 571 N GLU A 37 65.485 -11.011 8.529 1.00 0.00 N ATOM 572 CA GLU A 37 65.210 -12.432 8.742 1.00 0.00 C ATOM 573 C GLU A 37 64.302 -12.954 7.640 1.00 0.00 C ATOM 574 O GLU A 37 63.181 -12.474 7.472 1.00 0.00 O ATOM 575 CB GLU A 37 64.524 -12.623 10.095 1.00 0.00 C ATOM 576 CG GLU A 37 65.506 -12.289 11.220 1.00 0.00 C ATOM 577 CD GLU A 37 64.803 -12.370 12.570 1.00 0.00 C ATOM 578 OE1 GLU A 37 63.622 -12.676 12.583 1.00 0.00 O ATOM 579 OE2 GLU A 37 65.457 -12.128 13.572 1.00 0.00 O ATOM 0 H GLU A 37 64.663 -10.410 8.592 1.00 0.00 H new ATOM 0 HA GLU A 37 66.150 -12.983 8.726 1.00 0.00 H new ATOM 0 HB2 GLU A 37 63.646 -11.981 10.163 1.00 0.00 H new ATOM 0 HB3 GLU A 37 64.176 -13.651 10.196 1.00 0.00 H new ATOM 0 HG2 GLU A 37 66.347 -12.982 11.197 1.00 0.00 H new ATOM 0 HG3 GLU A 37 65.913 -11.289 11.073 1.00 0.00 H new ATOM 586 N VAL A 38 64.788 -13.943 6.892 1.00 0.00 N ATOM 587 CA VAL A 38 64.014 -14.534 5.805 1.00 0.00 C ATOM 588 C VAL A 38 63.748 -16.008 6.096 1.00 0.00 C ATOM 589 O VAL A 38 64.650 -16.752 6.494 1.00 0.00 O ATOM 590 CB VAL A 38 64.765 -14.376 4.479 1.00 0.00 C ATOM 591 CG1 VAL A 38 65.006 -12.891 4.202 1.00 0.00 C ATOM 592 CG2 VAL A 38 66.110 -15.101 4.538 1.00 0.00 C ATOM 0 H VAL A 38 65.714 -14.351 7.020 1.00 0.00 H new ATOM 0 HA VAL A 38 63.058 -14.017 5.726 1.00 0.00 H new ATOM 0 HB VAL A 38 64.162 -14.810 3.682 1.00 0.00 H new ATOM 0 HG11 VAL A 38 65.540 -12.779 3.259 1.00 0.00 H new ATOM 0 HG12 VAL A 38 64.049 -12.372 4.141 1.00 0.00 H new ATOM 0 HG13 VAL A 38 65.600 -12.462 5.009 1.00 0.00 H new ATOM 0 HG21 VAL A 38 66.631 -14.979 3.588 1.00 0.00 H new ATOM 0 HG22 VAL A 38 66.715 -14.680 5.341 1.00 0.00 H new ATOM 0 HG23 VAL A 38 65.944 -16.162 4.727 1.00 0.00 H new ATOM 602 N MET A 39 62.489 -16.413 5.908 1.00 0.00 N ATOM 603 CA MET A 39 62.067 -17.796 6.153 1.00 0.00 C ATOM 604 C MET A 39 61.666 -18.467 4.844 1.00 0.00 C ATOM 605 O MET A 39 60.922 -17.899 4.043 1.00 0.00 O ATOM 606 CB MET A 39 60.887 -17.808 7.129 1.00 0.00 C ATOM 607 CG MET A 39 60.477 -19.250 7.432 1.00 0.00 C ATOM 608 SD MET A 39 59.153 -19.253 8.670 1.00 0.00 S ATOM 609 CE MET A 39 57.848 -18.544 7.632 1.00 0.00 C ATOM 0 H MET A 39 61.741 -15.800 5.585 1.00 0.00 H new ATOM 0 HA MET A 39 62.900 -18.349 6.587 1.00 0.00 H new ATOM 0 HB2 MET A 39 61.162 -17.297 8.052 1.00 0.00 H new ATOM 0 HB3 MET A 39 60.045 -17.263 6.702 1.00 0.00 H new ATOM 0 HG2 MET A 39 60.138 -19.742 6.520 1.00 0.00 H new ATOM 0 HG3 MET A 39 61.334 -19.814 7.799 1.00 0.00 H new ATOM 0 HE1 MET A 39 56.873 -18.837 8.022 1.00 0.00 H new ATOM 0 HE2 MET A 39 57.929 -17.457 7.637 1.00 0.00 H new ATOM 0 HE3 MET A 39 57.955 -18.911 6.611 1.00 0.00 H new ATOM 619 N THR A 40 62.173 -19.680 4.630 1.00 0.00 N ATOM 620 CA THR A 40 61.879 -20.439 3.412 1.00 0.00 C ATOM 621 C THR A 40 61.127 -21.725 3.747 1.00 0.00 C ATOM 622 O THR A 40 59.897 -21.746 3.773 1.00 0.00 O ATOM 623 CB THR A 40 63.191 -20.784 2.693 1.00 0.00 C ATOM 624 OG1 THR A 40 63.011 -21.975 1.939 1.00 0.00 O ATOM 625 CG2 THR A 40 64.320 -20.989 3.714 1.00 0.00 C ATOM 0 H THR A 40 62.791 -20.160 5.284 1.00 0.00 H new ATOM 0 HA THR A 40 61.252 -19.828 2.763 1.00 0.00 H new ATOM 0 HB THR A 40 63.462 -19.962 2.030 1.00 0.00 H new ATOM 0 HG1 THR A 40 63.846 -22.199 1.477 1.00 0.00 H new ATOM 0 HG21 THR A 40 65.244 -21.233 3.190 1.00 0.00 H new ATOM 0 HG22 THR A 40 64.460 -20.074 4.290 1.00 0.00 H new ATOM 0 HG23 THR A 40 64.058 -21.805 4.387 1.00 0.00 H new ATOM 633 N ASP A 41 61.880 -22.789 4.011 1.00 0.00 N ATOM 634 CA ASP A 41 61.282 -24.083 4.354 1.00 0.00 C ATOM 635 C ASP A 41 61.088 -24.191 5.867 1.00 0.00 C ATOM 636 O ASP A 41 61.507 -25.173 6.477 1.00 0.00 O ATOM 637 CB ASP A 41 62.200 -25.214 3.886 1.00 0.00 C ATOM 638 CG ASP A 41 63.581 -25.062 4.514 1.00 0.00 C ATOM 639 OD1 ASP A 41 63.976 -23.937 4.769 1.00 0.00 O ATOM 640 OD2 ASP A 41 64.218 -26.076 4.743 1.00 0.00 O ATOM 0 H ASP A 41 62.900 -22.785 3.995 1.00 0.00 H new ATOM 0 HA ASP A 41 60.314 -24.163 3.860 1.00 0.00 H new ATOM 0 HB2 ASP A 41 61.771 -26.178 4.160 1.00 0.00 H new ATOM 0 HB3 ASP A 41 62.283 -25.200 2.799 1.00 0.00 H new ATOM 645 N LYS A 42 60.460 -23.170 6.462 1.00 0.00 N ATOM 646 CA LYS A 42 60.216 -23.147 7.904 1.00 0.00 C ATOM 647 C LYS A 42 61.531 -23.152 8.678 1.00 0.00 C ATOM 648 O LYS A 42 61.676 -23.854 9.679 1.00 0.00 O ATOM 649 CB LYS A 42 59.346 -24.337 8.329 1.00 0.00 C ATOM 650 CG LYS A 42 57.944 -24.180 7.734 1.00 0.00 C ATOM 651 CD LYS A 42 57.060 -25.339 8.199 1.00 0.00 C ATOM 652 CE LYS A 42 55.663 -25.187 7.595 1.00 0.00 C ATOM 653 NZ LYS A 42 54.796 -26.308 8.055 1.00 0.00 N ATOM 0 H LYS A 42 60.113 -22.350 5.965 1.00 0.00 H new ATOM 0 HA LYS A 42 59.681 -22.226 8.138 1.00 0.00 H new ATOM 0 HB2 LYS A 42 59.795 -25.270 7.989 1.00 0.00 H new ATOM 0 HB3 LYS A 42 59.288 -24.389 9.416 1.00 0.00 H new ATOM 0 HG2 LYS A 42 57.510 -23.230 8.045 1.00 0.00 H new ATOM 0 HG3 LYS A 42 57.999 -24.164 6.645 1.00 0.00 H new ATOM 0 HD2 LYS A 42 57.498 -26.290 7.895 1.00 0.00 H new ATOM 0 HD3 LYS A 42 56.998 -25.350 9.287 1.00 0.00 H new ATOM 0 HE2 LYS A 42 55.229 -24.232 7.892 1.00 0.00 H new ATOM 0 HE3 LYS A 42 55.724 -25.184 6.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 53.846 -26.204 7.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 55.208 -27.213 7.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 54.728 -26.291 9.093 1.00 0.00 H new ATOM 667 N VAL A 43 62.479 -22.338 8.212 1.00 0.00 N ATOM 668 CA VAL A 43 63.787 -22.213 8.862 1.00 0.00 C ATOM 669 C VAL A 43 64.133 -20.740 9.043 1.00 0.00 C ATOM 670 O VAL A 43 63.603 -19.878 8.343 1.00 0.00 O ATOM 671 CB VAL A 43 64.874 -22.885 8.017 1.00 0.00 C ATOM 672 CG1 VAL A 43 66.201 -22.865 8.786 1.00 0.00 C ATOM 673 CG2 VAL A 43 64.483 -24.335 7.728 1.00 0.00 C ATOM 0 H VAL A 43 62.366 -21.753 7.384 1.00 0.00 H new ATOM 0 HA VAL A 43 63.738 -22.704 9.834 1.00 0.00 H new ATOM 0 HB VAL A 43 64.983 -22.345 7.077 1.00 0.00 H new ATOM 0 HG11 VAL A 43 66.976 -23.343 8.187 1.00 0.00 H new ATOM 0 HG12 VAL A 43 66.486 -21.833 8.993 1.00 0.00 H new ATOM 0 HG13 VAL A 43 66.085 -23.405 9.726 1.00 0.00 H new ATOM 0 HG21 VAL A 43 65.259 -24.808 7.127 1.00 0.00 H new ATOM 0 HG22 VAL A 43 64.371 -24.876 8.668 1.00 0.00 H new ATOM 0 HG23 VAL A 43 63.539 -24.356 7.183 1.00 0.00 H new ATOM 683 N THR A 44 65.032 -20.453 9.985 1.00 0.00 N ATOM 684 CA THR A 44 65.448 -19.071 10.251 1.00 0.00 C ATOM 685 C THR A 44 66.897 -18.868 9.821 1.00 0.00 C ATOM 686 O THR A 44 67.810 -19.481 10.374 1.00 0.00 O ATOM 687 CB THR A 44 65.319 -18.775 11.747 1.00 0.00 C ATOM 688 OG1 THR A 44 64.089 -19.299 12.224 1.00 0.00 O ATOM 689 CG2 THR A 44 65.347 -17.265 11.996 1.00 0.00 C ATOM 0 H THR A 44 65.485 -21.152 10.574 1.00 0.00 H new ATOM 0 HA THR A 44 64.807 -18.394 9.685 1.00 0.00 H new ATOM 0 HB THR A 44 66.155 -19.239 12.271 1.00 0.00 H new ATOM 0 HG1 THR A 44 64.004 -19.113 13.182 1.00 0.00 H new ATOM 0 HG21 THR A 44 65.254 -17.071 13.065 1.00 0.00 H new ATOM 0 HG22 THR A 44 66.289 -16.854 11.633 1.00 0.00 H new ATOM 0 HG23 THR A 44 64.518 -16.794 11.468 1.00 0.00 H new ATOM 697 N VAL A 45 67.099 -18.001 8.835 1.00 0.00 N ATOM 698 CA VAL A 45 68.447 -17.705 8.330 1.00 0.00 C ATOM 699 C VAL A 45 68.634 -16.197 8.198 1.00 0.00 C ATOM 700 O VAL A 45 67.747 -15.499 7.707 1.00 0.00 O ATOM 701 CB VAL A 45 68.669 -18.375 6.971 1.00 0.00 C ATOM 702 CG1 VAL A 45 68.528 -19.889 7.118 1.00 0.00 C ATOM 703 CG2 VAL A 45 67.630 -17.866 5.972 1.00 0.00 C ATOM 0 H VAL A 45 66.352 -17.488 8.366 1.00 0.00 H new ATOM 0 HA VAL A 45 69.177 -18.098 9.038 1.00 0.00 H new ATOM 0 HB VAL A 45 69.669 -18.134 6.611 1.00 0.00 H new ATOM 0 HG11 VAL A 45 68.686 -20.365 6.150 1.00 0.00 H new ATOM 0 HG12 VAL A 45 69.269 -20.256 7.828 1.00 0.00 H new ATOM 0 HG13 VAL A 45 67.528 -20.128 7.481 1.00 0.00 H new ATOM 0 HG21 VAL A 45 67.790 -18.344 5.006 1.00 0.00 H new ATOM 0 HG22 VAL A 45 66.630 -18.105 6.334 1.00 0.00 H new ATOM 0 HG23 VAL A 45 67.728 -16.786 5.863 1.00 0.00 H new ATOM 713 N LYS A 46 69.784 -15.693 8.649 1.00 0.00 N ATOM 714 CA LYS A 46 70.064 -14.254 8.580 1.00 0.00 C ATOM 715 C LYS A 46 70.987 -13.937 7.407 1.00 0.00 C ATOM 716 O LYS A 46 71.987 -14.621 7.185 1.00 0.00 O ATOM 717 CB LYS A 46 70.718 -13.788 9.883 1.00 0.00 C ATOM 718 CG LYS A 46 69.710 -13.885 11.030 1.00 0.00 C ATOM 719 CD LYS A 46 70.378 -13.430 12.329 1.00 0.00 C ATOM 720 CE LYS A 46 69.393 -13.557 13.493 1.00 0.00 C ATOM 721 NZ LYS A 46 68.283 -12.579 13.314 1.00 0.00 N ATOM 0 H LYS A 46 70.531 -16.251 9.062 1.00 0.00 H new ATOM 0 HA LYS A 46 69.120 -13.729 8.435 1.00 0.00 H new ATOM 0 HB2 LYS A 46 71.592 -14.401 10.102 1.00 0.00 H new ATOM 0 HB3 LYS A 46 71.067 -12.761 9.779 1.00 0.00 H new ATOM 0 HG2 LYS A 46 68.840 -13.264 10.818 1.00 0.00 H new ATOM 0 HG3 LYS A 46 69.353 -14.910 11.130 1.00 0.00 H new ATOM 0 HD2 LYS A 46 71.264 -14.034 12.523 1.00 0.00 H new ATOM 0 HD3 LYS A 46 70.711 -12.397 12.234 1.00 0.00 H new ATOM 0 HE2 LYS A 46 68.995 -14.571 13.537 1.00 0.00 H new ATOM 0 HE3 LYS A 46 69.905 -13.374 14.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 68.216 -11.972 14.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 68.470 -11.991 12.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 67.387 -13.091 13.185 1.00 0.00 H new ATOM 735 N ILE A 47 70.643 -12.890 6.655 1.00 0.00 N ATOM 736 CA ILE A 47 71.438 -12.469 5.498 1.00 0.00 C ATOM 737 C ILE A 47 71.595 -10.939 5.474 1.00 0.00 C ATOM 738 O ILE A 47 70.797 -10.239 4.852 1.00 0.00 O ATOM 739 CB ILE A 47 70.768 -12.933 4.197 1.00 0.00 C ATOM 740 CG1 ILE A 47 70.743 -14.465 4.157 1.00 0.00 C ATOM 741 CG2 ILE A 47 71.576 -12.408 3.004 1.00 0.00 C ATOM 742 CD1 ILE A 47 69.893 -14.944 2.977 1.00 0.00 C ATOM 0 H ILE A 47 69.817 -12.316 6.826 1.00 0.00 H new ATOM 0 HA ILE A 47 72.425 -12.925 5.581 1.00 0.00 H new ATOM 0 HB ILE A 47 69.748 -12.551 4.150 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.758 -14.851 4.065 1.00 0.00 H new ATOM 0 HG13 ILE A 47 70.337 -14.855 5.090 1.00 0.00 H new ATOM 0 HG21 ILE A 47 71.107 -12.733 2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 47 71.604 -11.319 3.034 1.00 0.00 H new ATOM 0 HG23 ILE A 47 72.593 -12.798 3.053 1.00 0.00 H new ATOM 0 HD11 ILE A 47 69.881 -16.034 2.956 1.00 0.00 H new ATOM 0 HD12 ILE A 47 68.875 -14.572 3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 47 70.318 -14.568 2.046 1.00 0.00 H new ATOM 754 N PRO A 48 72.603 -10.411 6.137 1.00 0.00 N ATOM 755 CA PRO A 48 72.864 -8.933 6.181 1.00 0.00 C ATOM 756 C PRO A 48 73.072 -8.330 4.784 1.00 0.00 C ATOM 757 O PRO A 48 73.606 -8.987 3.892 1.00 0.00 O ATOM 758 CB PRO A 48 74.139 -8.814 7.044 1.00 0.00 C ATOM 759 CG PRO A 48 74.202 -10.084 7.829 1.00 0.00 C ATOM 760 CD PRO A 48 73.596 -11.158 6.935 1.00 0.00 C ATOM 0 HA PRO A 48 72.018 -8.380 6.589 1.00 0.00 H new ATOM 0 HB2 PRO A 48 75.025 -8.692 6.422 1.00 0.00 H new ATOM 0 HB3 PRO A 48 74.089 -7.947 7.702 1.00 0.00 H new ATOM 0 HG2 PRO A 48 75.231 -10.330 8.092 1.00 0.00 H new ATOM 0 HG3 PRO A 48 73.647 -9.994 8.763 1.00 0.00 H new ATOM 0 HD2 PRO A 48 74.349 -11.628 6.303 1.00 0.00 H new ATOM 0 HD3 PRO A 48 73.129 -11.952 7.518 1.00 0.00 H new ATOM 768 N SER A 49 72.619 -7.084 4.601 1.00 0.00 N ATOM 769 CA SER A 49 72.734 -6.407 3.306 1.00 0.00 C ATOM 770 C SER A 49 74.178 -6.459 2.773 1.00 0.00 C ATOM 771 O SER A 49 75.053 -5.788 3.318 1.00 0.00 O ATOM 772 CB SER A 49 72.310 -4.946 3.454 1.00 0.00 C ATOM 773 OG SER A 49 70.907 -4.883 3.672 1.00 0.00 O ATOM 0 H SER A 49 72.172 -6.527 5.330 1.00 0.00 H new ATOM 0 HA SER A 49 72.084 -6.921 2.598 1.00 0.00 H new ATOM 0 HB2 SER A 49 72.840 -4.484 4.287 1.00 0.00 H new ATOM 0 HB3 SER A 49 72.576 -4.386 2.558 1.00 0.00 H new ATOM 0 HG SER A 49 70.633 -3.947 3.769 1.00 0.00 H new ATOM 779 N PRO A 50 74.469 -7.234 1.741 1.00 0.00 N ATOM 780 CA PRO A 50 75.865 -7.328 1.202 1.00 0.00 C ATOM 781 C PRO A 50 76.344 -6.078 0.436 1.00 0.00 C ATOM 782 O PRO A 50 77.541 -5.942 0.182 1.00 0.00 O ATOM 783 CB PRO A 50 75.821 -8.568 0.296 1.00 0.00 C ATOM 784 CG PRO A 50 74.398 -8.675 -0.153 1.00 0.00 C ATOM 785 CD PRO A 50 73.535 -8.104 0.981 1.00 0.00 C ATOM 0 HA PRO A 50 76.589 -7.402 2.013 1.00 0.00 H new ATOM 0 HB2 PRO A 50 76.495 -8.459 -0.554 1.00 0.00 H new ATOM 0 HB3 PRO A 50 76.132 -9.462 0.837 1.00 0.00 H new ATOM 0 HG2 PRO A 50 74.241 -8.119 -1.077 1.00 0.00 H new ATOM 0 HG3 PRO A 50 74.133 -9.713 -0.356 1.00 0.00 H new ATOM 0 HD2 PRO A 50 72.689 -7.537 0.592 1.00 0.00 H new ATOM 0 HD3 PRO A 50 73.127 -8.896 1.609 1.00 0.00 H new ATOM 793 N VAL A 51 75.431 -5.172 0.054 1.00 0.00 N ATOM 794 CA VAL A 51 75.828 -3.961 -0.693 1.00 0.00 C ATOM 795 C VAL A 51 75.186 -2.700 -0.091 1.00 0.00 C ATOM 796 O VAL A 51 73.967 -2.638 0.071 1.00 0.00 O ATOM 797 CB VAL A 51 75.411 -4.112 -2.173 1.00 0.00 C ATOM 798 CG1 VAL A 51 76.234 -3.173 -3.068 1.00 0.00 C ATOM 799 CG2 VAL A 51 75.645 -5.562 -2.613 1.00 0.00 C ATOM 0 H VAL A 51 74.432 -5.248 0.243 1.00 0.00 H new ATOM 0 HA VAL A 51 76.910 -3.851 -0.624 1.00 0.00 H new ATOM 0 HB VAL A 51 74.357 -3.852 -2.270 1.00 0.00 H new ATOM 0 HG11 VAL A 51 75.924 -3.296 -4.106 1.00 0.00 H new ATOM 0 HG12 VAL A 51 76.070 -2.140 -2.760 1.00 0.00 H new ATOM 0 HG13 VAL A 51 77.292 -3.416 -2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 51 75.353 -5.677 -3.657 1.00 0.00 H new ATOM 0 HG22 VAL A 51 76.701 -5.810 -2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 51 75.048 -6.231 -1.993 1.00 0.00 H new ATOM 809 N ARG A 52 76.014 -1.696 0.243 1.00 0.00 N ATOM 810 CA ARG A 52 75.518 -0.445 0.826 1.00 0.00 C ATOM 811 C ARG A 52 75.239 0.588 -0.267 1.00 0.00 C ATOM 812 O ARG A 52 75.890 0.585 -1.313 1.00 0.00 O ATOM 813 CB ARG A 52 76.558 0.108 1.810 1.00 0.00 C ATOM 814 CG ARG A 52 77.861 0.455 1.078 1.00 0.00 C ATOM 815 CD ARG A 52 78.854 1.061 2.074 1.00 0.00 C ATOM 816 NE ARG A 52 80.098 1.414 1.400 1.00 0.00 N ATOM 817 CZ ARG A 52 81.194 1.702 2.095 1.00 0.00 C ATOM 818 NH1 ARG A 52 81.165 1.666 3.399 1.00 0.00 N ATOM 819 NH2 ARG A 52 82.295 2.026 1.474 1.00 0.00 N ATOM 0 H ARG A 52 77.026 -1.729 0.119 1.00 0.00 H new ATOM 0 HA ARG A 52 74.586 -0.649 1.353 1.00 0.00 H new ATOM 0 HB2 ARG A 52 76.164 0.996 2.303 1.00 0.00 H new ATOM 0 HB3 ARG A 52 76.757 -0.628 2.589 1.00 0.00 H new ATOM 0 HG2 ARG A 52 78.285 -0.440 0.622 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.662 1.160 0.271 1.00 0.00 H new ATOM 0 HD2 ARG A 52 78.420 1.947 2.537 1.00 0.00 H new ATOM 0 HD3 ARG A 52 79.056 0.349 2.875 1.00 0.00 H new ATOM 0 HE ARG A 52 80.128 1.440 0.381 1.00 0.00 H new ATOM 0 HH11 ARG A 52 80.302 1.417 3.883 1.00 0.00 H new ATOM 0 HH12 ARG A 52 82.005 1.887 3.934 1.00 0.00 H new ATOM 0 HH21 ARG A 52 82.315 2.058 0.455 1.00 0.00 H new ATOM 0 HH22 ARG A 52 83.136 2.247 2.008 1.00 0.00 H new ATOM 833 N GLY A 53 74.275 1.473 -0.017 1.00 0.00 N ATOM 834 CA GLY A 53 73.934 2.507 -0.988 1.00 0.00 C ATOM 835 C GLY A 53 72.696 3.288 -0.546 1.00 0.00 C ATOM 836 O GLY A 53 72.592 3.683 0.616 1.00 0.00 O ATOM 0 H GLY A 53 73.723 1.494 0.840 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.775 3.190 -1.108 1.00 0.00 H new ATOM 0 HA3 GLY A 53 73.752 2.051 -1.961 1.00 0.00 H new ATOM 840 N LYS A 54 71.756 3.513 -1.475 1.00 0.00 N ATOM 841 CA LYS A 54 70.525 4.255 -1.164 1.00 0.00 C ATOM 842 C LYS A 54 69.301 3.376 -1.400 1.00 0.00 C ATOM 843 O LYS A 54 69.299 2.526 -2.290 1.00 0.00 O ATOM 844 CB LYS A 54 70.435 5.507 -2.051 1.00 0.00 C ATOM 845 CG LYS A 54 71.538 6.492 -1.653 1.00 0.00 C ATOM 846 CD LYS A 54 71.563 7.680 -2.623 1.00 0.00 C ATOM 847 CE LYS A 54 70.377 8.615 -2.360 1.00 0.00 C ATOM 848 NZ LYS A 54 70.592 9.898 -3.088 1.00 0.00 N ATOM 0 H LYS A 54 71.823 3.194 -2.442 1.00 0.00 H new ATOM 0 HA LYS A 54 70.552 4.551 -0.115 1.00 0.00 H new ATOM 0 HB2 LYS A 54 70.540 5.231 -3.100 1.00 0.00 H new ATOM 0 HB3 LYS A 54 69.457 5.975 -1.940 1.00 0.00 H new ATOM 0 HG2 LYS A 54 71.369 6.847 -0.636 1.00 0.00 H new ATOM 0 HG3 LYS A 54 72.505 5.988 -1.658 1.00 0.00 H new ATOM 0 HD2 LYS A 54 72.498 8.229 -2.510 1.00 0.00 H new ATOM 0 HD3 LYS A 54 71.527 7.318 -3.651 1.00 0.00 H new ATOM 0 HE2 LYS A 54 69.450 8.147 -2.690 1.00 0.00 H new ATOM 0 HE3 LYS A 54 70.277 8.802 -1.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 69.789 10.536 -2.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 71.469 10.345 -2.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 70.668 9.710 -4.108 1.00 0.00 H new ATOM 862 N ILE A 55 68.260 3.589 -0.592 1.00 0.00 N ATOM 863 CA ILE A 55 67.023 2.813 -0.711 1.00 0.00 C ATOM 864 C ILE A 55 65.947 3.668 -1.391 1.00 0.00 C ATOM 865 O ILE A 55 65.582 4.729 -0.883 1.00 0.00 O ATOM 866 CB ILE A 55 66.541 2.409 0.690 1.00 0.00 C ATOM 867 CG1 ILE A 55 67.738 2.011 1.572 1.00 0.00 C ATOM 868 CG2 ILE A 55 65.569 1.228 0.582 1.00 0.00 C ATOM 869 CD1 ILE A 55 68.550 0.873 0.939 1.00 0.00 C ATOM 0 H ILE A 55 68.248 4.290 0.149 1.00 0.00 H new ATOM 0 HA ILE A 55 67.209 1.920 -1.307 1.00 0.00 H new ATOM 0 HB ILE A 55 66.033 3.259 1.145 1.00 0.00 H new ATOM 0 HG12 ILE A 55 68.382 2.877 1.725 1.00 0.00 H new ATOM 0 HG13 ILE A 55 67.381 1.702 2.554 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.229 0.944 1.578 1.00 0.00 H new ATOM 0 HG22 ILE A 55 64.711 1.517 -0.025 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.075 0.382 0.116 1.00 0.00 H new ATOM 0 HD11 ILE A 55 69.387 0.618 1.589 1.00 0.00 H new ATOM 0 HD12 ILE A 55 67.912 -0.001 0.810 1.00 0.00 H new ATOM 0 HD13 ILE A 55 68.929 1.193 -0.032 1.00 0.00 H new ATOM 881 N VAL A 56 65.453 3.216 -2.545 1.00 0.00 N ATOM 882 CA VAL A 56 64.436 3.980 -3.275 1.00 0.00 C ATOM 883 C VAL A 56 63.046 3.818 -2.654 1.00 0.00 C ATOM 884 O VAL A 56 62.374 4.809 -2.370 1.00 0.00 O ATOM 885 CB VAL A 56 64.405 3.545 -4.755 1.00 0.00 C ATOM 886 CG1 VAL A 56 63.142 4.087 -5.446 1.00 0.00 C ATOM 887 CG2 VAL A 56 65.644 4.093 -5.482 1.00 0.00 C ATOM 0 H VAL A 56 65.733 2.341 -2.989 1.00 0.00 H new ATOM 0 HA VAL A 56 64.708 5.034 -3.210 1.00 0.00 H new ATOM 0 HB VAL A 56 64.400 2.456 -4.796 1.00 0.00 H new ATOM 0 HG11 VAL A 56 63.134 3.772 -6.489 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.257 3.698 -4.943 1.00 0.00 H new ATOM 0 HG13 VAL A 56 63.139 5.176 -5.396 1.00 0.00 H new ATOM 0 HG21 VAL A 56 65.619 3.784 -6.527 1.00 0.00 H new ATOM 0 HG22 VAL A 56 65.647 5.182 -5.425 1.00 0.00 H new ATOM 0 HG23 VAL A 56 66.545 3.703 -5.010 1.00 0.00 H new ATOM 897 N LYS A 57 62.603 2.577 -2.463 1.00 0.00 N ATOM 898 CA LYS A 57 61.275 2.351 -1.897 1.00 0.00 C ATOM 899 C LYS A 57 61.078 0.882 -1.521 1.00 0.00 C ATOM 900 O LYS A 57 61.722 -0.006 -2.079 1.00 0.00 O ATOM 901 CB LYS A 57 60.217 2.793 -2.926 1.00 0.00 C ATOM 902 CG LYS A 57 58.783 2.557 -2.415 1.00 0.00 C ATOM 903 CD LYS A 57 58.499 3.456 -1.207 1.00 0.00 C ATOM 904 CE LYS A 57 56.992 3.507 -0.945 1.00 0.00 C ATOM 905 NZ LYS A 57 56.497 2.144 -0.607 1.00 0.00 N ATOM 0 H LYS A 57 63.129 1.732 -2.685 1.00 0.00 H new ATOM 0 HA LYS A 57 61.170 2.937 -0.984 1.00 0.00 H new ATOM 0 HB2 LYS A 57 60.352 3.850 -3.153 1.00 0.00 H new ATOM 0 HB3 LYS A 57 60.365 2.245 -3.857 1.00 0.00 H new ATOM 0 HG2 LYS A 57 58.067 2.766 -3.210 1.00 0.00 H new ATOM 0 HG3 LYS A 57 58.655 1.511 -2.137 1.00 0.00 H new ATOM 0 HD2 LYS A 57 59.018 3.075 -0.328 1.00 0.00 H new ATOM 0 HD3 LYS A 57 58.880 4.460 -1.391 1.00 0.00 H new ATOM 0 HE2 LYS A 57 56.778 4.196 -0.128 1.00 0.00 H new ATOM 0 HE3 LYS A 57 56.472 3.886 -1.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 55.656 1.928 -1.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 57.241 1.445 -0.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 56.247 2.106 0.402 1.00 0.00 H new ATOM 919 N ILE A 58 60.182 0.640 -0.564 1.00 0.00 N ATOM 920 CA ILE A 58 59.895 -0.714 -0.106 1.00 0.00 C ATOM 921 C ILE A 58 58.906 -1.400 -1.059 1.00 0.00 C ATOM 922 O ILE A 58 57.764 -0.967 -1.211 1.00 0.00 O ATOM 923 CB ILE A 58 59.342 -0.642 1.342 1.00 0.00 C ATOM 924 CG1 ILE A 58 59.650 -1.954 2.088 1.00 0.00 C ATOM 925 CG2 ILE A 58 57.827 -0.379 1.336 1.00 0.00 C ATOM 926 CD1 ILE A 58 58.840 -2.040 3.391 1.00 0.00 C ATOM 0 H ILE A 58 59.643 1.367 -0.092 1.00 0.00 H new ATOM 0 HA ILE A 58 60.806 -1.313 -0.104 1.00 0.00 H new ATOM 0 HB ILE A 58 59.830 0.185 1.857 1.00 0.00 H new ATOM 0 HG12 ILE A 58 59.413 -2.805 1.450 1.00 0.00 H new ATOM 0 HG13 ILE A 58 60.715 -2.010 2.312 1.00 0.00 H new ATOM 0 HG21 ILE A 58 57.462 -0.333 2.362 1.00 0.00 H new ATOM 0 HG22 ILE A 58 57.624 0.568 0.835 1.00 0.00 H new ATOM 0 HG23 ILE A 58 57.320 -1.185 0.806 1.00 0.00 H new ATOM 0 HD11 ILE A 58 59.072 -2.974 3.903 1.00 0.00 H new ATOM 0 HD12 ILE A 58 59.097 -1.199 4.036 1.00 0.00 H new ATOM 0 HD13 ILE A 58 57.775 -2.008 3.160 1.00 0.00 H new ATOM 938 N LEU A 59 59.360 -2.468 -1.722 1.00 0.00 N ATOM 939 CA LEU A 59 58.496 -3.186 -2.674 1.00 0.00 C ATOM 940 C LEU A 59 57.784 -4.369 -2.010 1.00 0.00 C ATOM 941 O LEU A 59 56.779 -4.861 -2.526 1.00 0.00 O ATOM 942 CB LEU A 59 59.332 -3.685 -3.860 1.00 0.00 C ATOM 943 CG LEU A 59 59.879 -2.488 -4.653 1.00 0.00 C ATOM 944 CD1 LEU A 59 60.899 -2.985 -5.685 1.00 0.00 C ATOM 945 CD2 LEU A 59 58.735 -1.744 -5.376 1.00 0.00 C ATOM 0 H LEU A 59 60.300 -2.851 -1.623 1.00 0.00 H new ATOM 0 HA LEU A 59 57.734 -2.490 -3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 59 60.156 -4.302 -3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 59 58.721 -4.314 -4.508 1.00 0.00 H new ATOM 0 HG LEU A 59 60.359 -1.798 -3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 59 61.289 -2.137 -6.249 1.00 0.00 H new ATOM 0 HD12 LEU A 59 61.719 -3.488 -5.173 1.00 0.00 H new ATOM 0 HD13 LEU A 59 60.415 -3.683 -6.368 1.00 0.00 H new ATOM 0 HD21 LEU A 59 59.144 -0.900 -5.932 1.00 0.00 H new ATOM 0 HD22 LEU A 59 58.237 -2.425 -6.066 1.00 0.00 H new ATOM 0 HD23 LEU A 59 58.016 -1.381 -4.642 1.00 0.00 H new ATOM 957 N TYR A 60 58.303 -4.826 -0.869 1.00 0.00 N ATOM 958 CA TYR A 60 57.705 -5.964 -0.147 1.00 0.00 C ATOM 959 C TYR A 60 57.217 -5.544 1.239 1.00 0.00 C ATOM 960 O TYR A 60 57.845 -4.730 1.918 1.00 0.00 O ATOM 961 CB TYR A 60 58.739 -7.109 -0.025 1.00 0.00 C ATOM 962 CG TYR A 60 58.577 -8.105 -1.174 1.00 0.00 C ATOM 963 CD1 TYR A 60 58.632 -7.664 -2.509 1.00 0.00 C ATOM 964 CD2 TYR A 60 58.369 -9.475 -0.903 1.00 0.00 C ATOM 965 CE1 TYR A 60 58.482 -8.581 -3.557 1.00 0.00 C ATOM 966 CE2 TYR A 60 58.221 -10.382 -1.959 1.00 0.00 C ATOM 967 CZ TYR A 60 58.278 -9.937 -3.283 1.00 0.00 C ATOM 968 OH TYR A 60 58.131 -10.835 -4.321 1.00 0.00 O ATOM 0 H TYR A 60 59.131 -4.432 -0.422 1.00 0.00 H new ATOM 0 HA TYR A 60 56.843 -6.315 -0.714 1.00 0.00 H new ATOM 0 HB2 TYR A 60 59.748 -6.697 -0.033 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.611 -7.622 0.928 1.00 0.00 H new ATOM 0 HD1 TYR A 60 58.790 -6.618 -2.726 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.324 -9.823 0.118 1.00 0.00 H new ATOM 0 HE1 TYR A 60 58.524 -8.239 -4.581 1.00 0.00 H new ATOM 0 HE2 TYR A 60 58.062 -11.430 -1.750 1.00 0.00 H new ATOM 0 HH TYR A 60 57.954 -10.348 -5.153 1.00 0.00 H new ATOM 978 N ARG A 61 56.084 -6.126 1.644 1.00 0.00 N ATOM 979 CA ARG A 61 55.477 -5.844 2.949 1.00 0.00 C ATOM 980 C ARG A 61 55.553 -7.069 3.857 1.00 0.00 C ATOM 981 O ARG A 61 55.779 -8.188 3.396 1.00 0.00 O ATOM 982 CB ARG A 61 54.009 -5.439 2.773 1.00 0.00 C ATOM 983 CG ARG A 61 53.926 -4.095 2.047 1.00 0.00 C ATOM 984 CD ARG A 61 52.457 -3.711 1.860 1.00 0.00 C ATOM 985 NE ARG A 61 51.812 -4.620 0.918 1.00 0.00 N ATOM 986 CZ ARG A 61 50.526 -4.488 0.612 1.00 0.00 C ATOM 987 NH1 ARG A 61 49.822 -3.536 1.163 1.00 0.00 N ATOM 988 NH2 ARG A 61 49.968 -5.308 -0.236 1.00 0.00 N ATOM 0 H ARG A 61 55.565 -6.801 1.082 1.00 0.00 H new ATOM 0 HA ARG A 61 56.031 -5.025 3.408 1.00 0.00 H new ATOM 0 HB2 ARG A 61 53.477 -6.203 2.206 1.00 0.00 H new ATOM 0 HB3 ARG A 61 53.523 -5.368 3.746 1.00 0.00 H new ATOM 0 HG2 ARG A 61 54.445 -3.326 2.620 1.00 0.00 H new ATOM 0 HG3 ARG A 61 54.423 -4.160 1.079 1.00 0.00 H new ATOM 0 HD2 ARG A 61 51.940 -3.744 2.819 1.00 0.00 H new ATOM 0 HD3 ARG A 61 52.385 -2.687 1.494 1.00 0.00 H new ATOM 0 HE ARG A 61 52.357 -5.368 0.488 1.00 0.00 H new ATOM 0 HH11 ARG A 61 50.260 -2.896 1.826 1.00 0.00 H new ATOM 0 HH12 ARG A 61 48.834 -3.432 0.930 1.00 0.00 H new ATOM 0 HH21 ARG A 61 50.519 -6.051 -0.665 1.00 0.00 H new ATOM 0 HH22 ARG A 61 48.981 -5.206 -0.470 1.00 0.00 H new ATOM 1002 N GLU A 62 55.356 -6.840 5.150 1.00 0.00 N ATOM 1003 CA GLU A 62 55.400 -7.921 6.133 1.00 0.00 C ATOM 1004 C GLU A 62 54.304 -8.955 5.878 1.00 0.00 C ATOM 1005 O GLU A 62 53.170 -8.605 5.553 1.00 0.00 O ATOM 1006 CB GLU A 62 55.223 -7.356 7.545 1.00 0.00 C ATOM 1007 CG GLU A 62 56.426 -6.488 7.906 1.00 0.00 C ATOM 1008 CD GLU A 62 56.242 -5.876 9.291 1.00 0.00 C ATOM 1009 OE1 GLU A 62 55.218 -6.131 9.903 1.00 0.00 O ATOM 1010 OE2 GLU A 62 57.132 -5.161 9.721 1.00 0.00 O ATOM 0 H GLU A 62 55.165 -5.919 5.544 1.00 0.00 H new ATOM 0 HA GLU A 62 56.371 -8.407 6.040 1.00 0.00 H new ATOM 0 HB2 GLU A 62 54.308 -6.767 7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 62 55.121 -8.170 8.263 1.00 0.00 H new ATOM 0 HG2 GLU A 62 57.336 -7.088 7.884 1.00 0.00 H new ATOM 0 HG3 GLU A 62 56.548 -5.698 7.165 1.00 0.00 H new ATOM 1017 N GLY A 63 54.654 -10.230 6.044 1.00 0.00 N ATOM 1018 CA GLY A 63 53.685 -11.315 5.848 1.00 0.00 C ATOM 1019 C GLY A 63 53.496 -11.648 4.371 1.00 0.00 C ATOM 1020 O GLY A 63 52.646 -12.465 4.019 1.00 0.00 O ATOM 0 H GLY A 63 55.589 -10.538 6.311 1.00 0.00 H new ATOM 0 HA2 GLY A 63 54.023 -12.204 6.380 1.00 0.00 H new ATOM 0 HA3 GLY A 63 52.727 -11.029 6.281 1.00 0.00 H new ATOM 1024 N GLN A 64 54.283 -11.017 3.507 1.00 0.00 N ATOM 1025 CA GLN A 64 54.166 -11.269 2.073 1.00 0.00 C ATOM 1026 C GLN A 64 54.863 -12.574 1.681 1.00 0.00 C ATOM 1027 O GLN A 64 56.000 -12.830 2.079 1.00 0.00 O ATOM 1028 CB GLN A 64 54.776 -10.109 1.285 1.00 0.00 C ATOM 1029 CG GLN A 64 54.364 -10.218 -0.187 1.00 0.00 C ATOM 1030 CD GLN A 64 52.874 -9.936 -0.343 1.00 0.00 C ATOM 1031 OE1 GLN A 64 52.343 -9.023 0.289 1.00 0.00 O ATOM 1032 NE2 GLN A 64 52.162 -10.678 -1.148 1.00 0.00 N ATOM 0 H GLN A 64 54.998 -10.338 3.767 1.00 0.00 H new ATOM 0 HA GLN A 64 53.106 -11.358 1.834 1.00 0.00 H new ATOM 0 HB2 GLN A 64 54.440 -9.158 1.698 1.00 0.00 H new ATOM 0 HB3 GLN A 64 55.862 -10.128 1.372 1.00 0.00 H new ATOM 0 HG2 GLN A 64 54.939 -9.512 -0.786 1.00 0.00 H new ATOM 0 HG3 GLN A 64 54.593 -11.215 -0.563 1.00 0.00 H new ATOM 0 HE21 GLN A 64 52.605 -11.434 -1.670 1.00 0.00 H new ATOM 0 HE22 GLN A 64 51.163 -10.502 -1.254 1.00 0.00 H new ATOM 1041 N VAL A 65 54.170 -13.382 0.880 1.00 0.00 N ATOM 1042 CA VAL A 65 54.706 -14.662 0.400 1.00 0.00 C ATOM 1043 C VAL A 65 54.721 -14.644 -1.127 1.00 0.00 C ATOM 1044 O VAL A 65 53.701 -14.350 -1.751 1.00 0.00 O ATOM 1045 CB VAL A 65 53.797 -15.800 0.879 1.00 0.00 C ATOM 1046 CG1 VAL A 65 54.198 -17.124 0.222 1.00 0.00 C ATOM 1047 CG2 VAL A 65 53.871 -15.939 2.407 1.00 0.00 C ATOM 0 H VAL A 65 53.229 -13.174 0.546 1.00 0.00 H new ATOM 0 HA VAL A 65 55.715 -14.812 0.784 1.00 0.00 H new ATOM 0 HB VAL A 65 52.774 -15.559 0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 65 53.541 -17.919 0.575 1.00 0.00 H new ATOM 0 HG12 VAL A 65 54.110 -17.034 -0.861 1.00 0.00 H new ATOM 0 HG13 VAL A 65 55.229 -17.362 0.484 1.00 0.00 H new ATOM 0 HG21 VAL A 65 53.220 -16.751 2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 65 54.897 -16.157 2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 65 53.549 -15.008 2.873 1.00 0.00 H new ATOM 1057 N VAL A 66 55.869 -14.949 -1.739 1.00 0.00 N ATOM 1058 CA VAL A 66 55.959 -14.939 -3.208 1.00 0.00 C ATOM 1059 C VAL A 66 56.984 -15.970 -3.740 1.00 0.00 C ATOM 1060 O VAL A 66 58.100 -16.041 -3.224 1.00 0.00 O ATOM 1061 CB VAL A 66 56.390 -13.543 -3.693 1.00 0.00 C ATOM 1062 CG1 VAL A 66 56.029 -13.368 -5.172 1.00 0.00 C ATOM 1063 CG2 VAL A 66 55.692 -12.452 -2.875 1.00 0.00 C ATOM 0 H VAL A 66 56.732 -15.201 -1.257 1.00 0.00 H new ATOM 0 HA VAL A 66 54.972 -15.201 -3.588 1.00 0.00 H new ATOM 0 HB VAL A 66 57.469 -13.454 -3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 66 56.337 -12.378 -5.507 1.00 0.00 H new ATOM 0 HG12 VAL A 66 56.541 -14.127 -5.764 1.00 0.00 H new ATOM 0 HG13 VAL A 66 54.952 -13.475 -5.299 1.00 0.00 H new ATOM 0 HG21 VAL A 66 56.008 -11.472 -3.231 1.00 0.00 H new ATOM 0 HG22 VAL A 66 54.612 -12.548 -2.987 1.00 0.00 H new ATOM 0 HG23 VAL A 66 55.958 -12.559 -1.823 1.00 0.00 H new ATOM 1073 N PRO A 67 56.675 -16.729 -4.787 1.00 0.00 N ATOM 1074 CA PRO A 67 57.661 -17.695 -5.377 1.00 0.00 C ATOM 1075 C PRO A 67 58.958 -17.001 -5.821 1.00 0.00 C ATOM 1076 O PRO A 67 58.941 -15.838 -6.224 1.00 0.00 O ATOM 1077 CB PRO A 67 56.927 -18.294 -6.597 1.00 0.00 C ATOM 1078 CG PRO A 67 55.472 -18.051 -6.356 1.00 0.00 C ATOM 1079 CD PRO A 67 55.373 -16.784 -5.501 1.00 0.00 C ATOM 0 HA PRO A 67 57.967 -18.446 -4.649 1.00 0.00 H new ATOM 0 HB2 PRO A 67 57.255 -17.820 -7.522 1.00 0.00 H new ATOM 0 HB3 PRO A 67 57.135 -19.360 -6.694 1.00 0.00 H new ATOM 0 HG2 PRO A 67 54.939 -17.924 -7.299 1.00 0.00 H new ATOM 0 HG3 PRO A 67 55.017 -18.899 -5.845 1.00 0.00 H new ATOM 0 HD2 PRO A 67 55.218 -15.898 -6.117 1.00 0.00 H new ATOM 0 HD3 PRO A 67 54.537 -16.838 -4.803 1.00 0.00 H new ATOM 1087 N VAL A 68 60.075 -17.727 -5.748 1.00 0.00 N ATOM 1088 CA VAL A 68 61.371 -17.179 -6.150 1.00 0.00 C ATOM 1089 C VAL A 68 61.272 -16.502 -7.521 1.00 0.00 C ATOM 1090 O VAL A 68 60.503 -16.930 -8.380 1.00 0.00 O ATOM 1091 CB VAL A 68 62.405 -18.322 -6.225 1.00 0.00 C ATOM 1092 CG1 VAL A 68 63.016 -18.590 -4.844 1.00 0.00 C ATOM 1093 CG2 VAL A 68 61.723 -19.590 -6.750 1.00 0.00 C ATOM 0 H VAL A 68 60.108 -18.691 -5.416 1.00 0.00 H new ATOM 0 HA VAL A 68 61.680 -16.437 -5.413 1.00 0.00 H new ATOM 0 HB VAL A 68 63.207 -18.030 -6.903 1.00 0.00 H new ATOM 0 HG11 VAL A 68 63.742 -19.399 -4.918 1.00 0.00 H new ATOM 0 HG12 VAL A 68 63.512 -17.689 -4.485 1.00 0.00 H new ATOM 0 HG13 VAL A 68 62.228 -18.873 -4.146 1.00 0.00 H new ATOM 0 HG21 VAL A 68 62.451 -20.399 -6.804 1.00 0.00 H new ATOM 0 HG22 VAL A 68 60.915 -19.874 -6.076 1.00 0.00 H new ATOM 0 HG23 VAL A 68 61.317 -19.400 -7.744 1.00 0.00 H new ATOM 1103 N GLY A 69 62.074 -15.449 -7.718 1.00 0.00 N ATOM 1104 CA GLY A 69 62.097 -14.722 -8.997 1.00 0.00 C ATOM 1105 C GLY A 69 61.558 -13.298 -8.870 1.00 0.00 C ATOM 1106 O GLY A 69 60.736 -12.870 -9.680 1.00 0.00 O ATOM 0 H GLY A 69 62.713 -15.081 -7.013 1.00 0.00 H new ATOM 0 HA2 GLY A 69 63.119 -14.688 -9.374 1.00 0.00 H new ATOM 0 HA3 GLY A 69 61.505 -15.267 -9.732 1.00 0.00 H new ATOM 1110 N SER A 70 62.025 -12.558 -7.866 1.00 0.00 N ATOM 1111 CA SER A 70 61.570 -11.180 -7.690 1.00 0.00 C ATOM 1112 C SER A 70 62.515 -10.386 -6.795 1.00 0.00 C ATOM 1113 O SER A 70 63.334 -10.954 -6.072 1.00 0.00 O ATOM 1114 CB SER A 70 60.166 -11.160 -7.101 1.00 0.00 C ATOM 1115 OG SER A 70 60.145 -11.941 -5.914 1.00 0.00 O ATOM 0 H SER A 70 62.703 -12.880 -7.176 1.00 0.00 H new ATOM 0 HA SER A 70 61.560 -10.709 -8.673 1.00 0.00 H new ATOM 0 HB2 SER A 70 59.866 -10.135 -6.882 1.00 0.00 H new ATOM 0 HB3 SER A 70 59.451 -11.554 -7.823 1.00 0.00 H new ATOM 0 HG SER A 70 59.465 -11.588 -5.302 1.00 0.00 H new ATOM 1121 N THR A 71 62.388 -9.059 -6.855 1.00 0.00 N ATOM 1122 CA THR A 71 63.223 -8.161 -6.054 1.00 0.00 C ATOM 1123 C THR A 71 62.429 -7.627 -4.867 1.00 0.00 C ATOM 1124 O THR A 71 61.407 -6.964 -5.038 1.00 0.00 O ATOM 1125 CB THR A 71 63.698 -6.988 -6.920 1.00 0.00 C ATOM 1126 OG1 THR A 71 64.658 -6.230 -6.197 1.00 0.00 O ATOM 1127 CG2 THR A 71 62.506 -6.088 -7.284 1.00 0.00 C ATOM 0 H THR A 71 61.713 -8.581 -7.452 1.00 0.00 H new ATOM 0 HA THR A 71 64.086 -8.716 -5.686 1.00 0.00 H new ATOM 0 HB THR A 71 64.146 -7.375 -7.835 1.00 0.00 H new ATOM 0 HG1 THR A 71 64.201 -5.665 -5.540 1.00 0.00 H new ATOM 0 HG21 THR A 71 62.852 -5.257 -7.899 1.00 0.00 H new ATOM 0 HG22 THR A 71 61.768 -6.668 -7.839 1.00 0.00 H new ATOM 0 HG23 THR A 71 62.051 -5.700 -6.372 1.00 0.00 H new ATOM 1135 N LEU A 72 62.903 -7.929 -3.665 1.00 0.00 N ATOM 1136 CA LEU A 72 62.227 -7.481 -2.454 1.00 0.00 C ATOM 1137 C LEU A 72 62.300 -5.962 -2.320 1.00 0.00 C ATOM 1138 O LEU A 72 61.375 -5.322 -1.821 1.00 0.00 O ATOM 1139 CB LEU A 72 62.861 -8.125 -1.215 1.00 0.00 C ATOM 1140 CG LEU A 72 63.016 -9.645 -1.396 1.00 0.00 C ATOM 1141 CD1 LEU A 72 61.737 -10.246 -2.002 1.00 0.00 C ATOM 1142 CD2 LEU A 72 64.230 -9.973 -2.292 1.00 0.00 C ATOM 0 H LEU A 72 63.747 -8.478 -3.503 1.00 0.00 H new ATOM 0 HA LEU A 72 61.182 -7.783 -2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 72 63.837 -7.677 -1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 72 62.244 -7.921 -0.340 1.00 0.00 H new ATOM 0 HG LEU A 72 63.184 -10.086 -0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 72 61.863 -11.322 -2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 72 60.894 -10.052 -1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 72 61.546 -9.791 -2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 72 64.318 -11.054 -2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 72 64.093 -9.516 -3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 72 65.138 -9.581 -1.833 1.00 0.00 H new ATOM 1154 N LEU A 73 63.425 -5.400 -2.744 1.00 0.00 N ATOM 1155 CA LEU A 73 63.657 -3.959 -2.657 1.00 0.00 C ATOM 1156 C LEU A 73 64.578 -3.530 -3.808 1.00 0.00 C ATOM 1157 O LEU A 73 65.412 -4.313 -4.263 1.00 0.00 O ATOM 1158 CB LEU A 73 64.250 -3.657 -1.252 1.00 0.00 C ATOM 1159 CG LEU A 73 65.234 -2.474 -1.251 1.00 0.00 C ATOM 1160 CD1 LEU A 73 64.518 -1.147 -1.531 1.00 0.00 C ATOM 1161 CD2 LEU A 73 65.947 -2.393 0.110 1.00 0.00 C ATOM 0 H LEU A 73 64.198 -5.923 -3.155 1.00 0.00 H new ATOM 0 HA LEU A 73 62.736 -3.386 -2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 73 63.436 -3.445 -0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 73 64.760 -4.546 -0.881 1.00 0.00 H new ATOM 0 HG LEU A 73 65.962 -2.643 -2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 73 65.243 -0.333 -1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 73 64.035 -1.193 -2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 73 63.766 -0.970 -0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 73 66.643 -1.554 0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 73 65.209 -2.249 0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 73 66.495 -3.318 0.289 1.00 0.00 H new ATOM 1173 N GLN A 74 64.420 -2.290 -4.285 1.00 0.00 N ATOM 1174 CA GLN A 74 65.244 -1.784 -5.397 1.00 0.00 C ATOM 1175 C GLN A 74 66.318 -0.826 -4.884 1.00 0.00 C ATOM 1176 O GLN A 74 66.032 0.075 -4.097 1.00 0.00 O ATOM 1177 CB GLN A 74 64.352 -1.059 -6.402 1.00 0.00 C ATOM 1178 CG GLN A 74 65.189 -0.552 -7.578 1.00 0.00 C ATOM 1179 CD GLN A 74 64.268 0.001 -8.660 1.00 0.00 C ATOM 1180 OE1 GLN A 74 63.078 -0.313 -8.681 1.00 0.00 O ATOM 1181 NE2 GLN A 74 64.748 0.810 -9.565 1.00 0.00 N ATOM 0 H GLN A 74 63.738 -1.622 -3.926 1.00 0.00 H new ATOM 0 HA GLN A 74 65.735 -2.630 -5.879 1.00 0.00 H new ATOM 0 HB2 GLN A 74 63.575 -1.733 -6.763 1.00 0.00 H new ATOM 0 HB3 GLN A 74 63.849 -0.223 -5.916 1.00 0.00 H new ATOM 0 HG2 GLN A 74 65.877 0.223 -7.240 1.00 0.00 H new ATOM 0 HG3 GLN A 74 65.796 -1.362 -7.982 1.00 0.00 H new ATOM 0 HE21 GLN A 74 65.734 1.069 -9.546 1.00 0.00 H new ATOM 0 HE22 GLN A 74 64.137 1.183 -10.291 1.00 0.00 H new ATOM 1190 N ILE A 75 67.563 -1.034 -5.325 1.00 0.00 N ATOM 1191 CA ILE A 75 68.685 -0.192 -4.885 1.00 0.00 C ATOM 1192 C ILE A 75 69.470 0.377 -6.063 1.00 0.00 C ATOM 1193 O ILE A 75 69.897 -0.350 -6.960 1.00 0.00 O ATOM 1194 CB ILE A 75 69.603 -1.037 -3.996 1.00 0.00 C ATOM 1195 CG1 ILE A 75 68.838 -1.453 -2.735 1.00 0.00 C ATOM 1196 CG2 ILE A 75 70.841 -0.244 -3.577 1.00 0.00 C ATOM 1197 CD1 ILE A 75 69.597 -2.569 -2.015 1.00 0.00 C ATOM 0 H ILE A 75 67.820 -1.771 -5.981 1.00 0.00 H new ATOM 0 HA ILE A 75 68.288 0.658 -4.329 1.00 0.00 H new ATOM 0 HB ILE A 75 69.919 -1.913 -4.562 1.00 0.00 H new ATOM 0 HG12 ILE A 75 68.717 -0.596 -2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 75 67.837 -1.794 -3.001 1.00 0.00 H new ATOM 0 HG21 ILE A 75 71.476 -0.867 -2.947 1.00 0.00 H new ATOM 0 HG22 ILE A 75 71.396 0.059 -4.464 1.00 0.00 H new ATOM 0 HG23 ILE A 75 70.535 0.642 -3.021 1.00 0.00 H new ATOM 0 HD11 ILE A 75 69.050 -2.862 -1.119 1.00 0.00 H new ATOM 0 HD12 ILE A 75 69.695 -3.429 -2.678 1.00 0.00 H new ATOM 0 HD13 ILE A 75 70.588 -2.213 -1.734 1.00 0.00 H new ATOM 1209 N ASP A 76 69.661 1.693 -6.027 1.00 0.00 N ATOM 1210 CA ASP A 76 70.408 2.402 -7.067 1.00 0.00 C ATOM 1211 C ASP A 76 71.866 2.556 -6.646 1.00 0.00 C ATOM 1212 O ASP A 76 72.154 2.818 -5.478 1.00 0.00 O ATOM 1213 CB ASP A 76 69.811 3.792 -7.288 1.00 0.00 C ATOM 1214 CG ASP A 76 68.380 3.678 -7.803 1.00 0.00 C ATOM 1215 OD1 ASP A 76 68.027 2.620 -8.296 1.00 0.00 O ATOM 1216 OD2 ASP A 76 67.660 4.658 -7.703 1.00 0.00 O ATOM 0 H ASP A 76 69.307 2.295 -5.284 1.00 0.00 H new ATOM 0 HA ASP A 76 70.348 1.826 -7.990 1.00 0.00 H new ATOM 0 HB2 ASP A 76 69.825 4.354 -6.354 1.00 0.00 H new ATOM 0 HB3 ASP A 76 70.419 4.347 -8.003 1.00 0.00 H new ATOM 1221 N THR A 77 72.786 2.405 -7.598 1.00 0.00 N ATOM 1222 CA THR A 77 74.213 2.547 -7.296 1.00 0.00 C ATOM 1223 C THR A 77 74.702 3.941 -7.674 1.00 0.00 C ATOM 1224 O THR A 77 74.169 4.500 -8.619 1.00 0.00 O ATOM 1225 CB THR A 77 75.030 1.498 -8.052 1.00 0.00 C ATOM 1226 OG1 THR A 77 76.394 1.608 -7.672 1.00 0.00 O ATOM 1227 CG2 THR A 77 74.901 1.725 -9.560 1.00 0.00 C ATOM 1228 OXT THR A 77 75.604 4.429 -7.014 1.00 0.00 O ATOM 0 H THR A 77 72.575 2.187 -8.572 1.00 0.00 H new ATOM 0 HA THR A 77 74.347 2.398 -6.225 1.00 0.00 H new ATOM 0 HB THR A 77 74.657 0.503 -7.808 1.00 0.00 H new ATOM 0 HG1 THR A 77 76.923 0.937 -8.152 1.00 0.00 H new ATOM 0 HG21 THR A 77 75.485 0.974 -10.092 1.00 0.00 H new ATOM 0 HG22 THR A 77 73.854 1.644 -9.852 1.00 0.00 H new ATOM 0 HG23 THR A 77 75.272 2.719 -9.811 1.00 0.00 H new