USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 596 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 75 TYR OH : rot -23:sc= 1.15 USER MOD Set 1.2: A 79 HIS : no HD1:sc= -2.17 K(o=-1,f=-1.8) USER MOD Single : A 1 GLY N :NH3+ 173:sc= 0 (180deg=-0.054) USER MOD Single : A 5 SER OG : rot 180:sc= -0.225 USER MOD Single : A 6 ASN : amide:sc= -0.474 X(o=-0.47,f=-0.92) USER MOD Single : A 12 LYS NZ :NH3+ 151:sc= 0.402 (180deg=0.0971) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -1.14 K(o=-1.1,f=-8.2!) USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= -0.0112 (180deg=-0.167) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 168:sc= 0.332 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -55:sc= 0.936 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -149:sc= 0.0339 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.512 X(o=-0.51,f=-0.075) USER MOD Single : A 77 ASN : amide:sc= -0.357 K(o=-0.36,f=-1.6) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.0102 K(o=-0.01,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.894 -1.836 -0.444 1.00 51.43 N ATOM 2 CA GLY A 1 4.029 -2.517 -1.038 1.00 70.43 C ATOM 3 C GLY A 1 5.111 -1.557 -1.490 1.00 1.23 C ATOM 4 O GLY A 1 5.718 -1.747 -2.544 1.00 3.40 O ATOM 0 H1 GLY A 1 2.135 -2.522 -0.260 1.00 51.43 H new ATOM 0 H2 GLY A 1 3.184 -1.393 0.451 1.00 51.43 H new ATOM 0 H3 GLY A 1 2.548 -1.103 -1.096 1.00 51.43 H new ATOM 0 HA2 GLY A 1 4.448 -3.217 -0.315 1.00 70.43 H new ATOM 0 HA3 GLY A 1 3.690 -3.105 -1.891 1.00 70.43 H new ATOM 8 N ILE A 2 5.352 -0.522 -0.692 1.00 30.14 N ATOM 9 CA ILE A 2 6.368 0.472 -1.016 1.00 32.33 C ATOM 10 C ILE A 2 5.996 1.248 -2.274 1.00 74.24 C ATOM 11 O ILE A 2 5.611 0.677 -3.295 1.00 35.42 O ATOM 12 CB ILE A 2 7.749 -0.180 -1.217 1.00 53.33 C ATOM 13 CG1 ILE A 2 8.124 -1.020 0.005 1.00 32.01 C ATOM 14 CG2 ILE A 2 8.803 0.885 -1.479 1.00 5.02 C ATOM 15 CD1 ILE A 2 8.423 -2.466 -0.324 1.00 51.22 C ATOM 0 H ILE A 2 4.858 -0.350 0.183 1.00 30.14 H new ATOM 0 HA ILE A 2 6.419 1.159 -0.171 1.00 32.33 H new ATOM 0 HB ILE A 2 7.701 -0.838 -2.085 1.00 53.33 H new ATOM 0 HG12 ILE A 2 8.996 -0.577 0.486 1.00 32.01 H new ATOM 0 HG13 ILE A 2 7.308 -0.981 0.727 1.00 32.01 H new ATOM 0 HG21 ILE A 2 9.774 0.409 -1.619 1.00 5.02 H new ATOM 0 HG22 ILE A 2 8.540 1.444 -2.377 1.00 5.02 H new ATOM 0 HG23 ILE A 2 8.852 1.566 -0.629 1.00 5.02 H new ATOM 0 HD11 ILE A 2 8.681 -3.001 0.590 1.00 51.22 H new ATOM 0 HD12 ILE A 2 7.545 -2.925 -0.778 1.00 51.22 H new ATOM 0 HD13 ILE A 2 9.259 -2.515 -1.022 1.00 51.22 H new ATOM 27 N PRO A 3 6.114 2.582 -2.204 1.00 1.03 N ATOM 28 CA PRO A 3 5.797 3.466 -3.330 1.00 23.35 C ATOM 29 C PRO A 3 6.804 3.339 -4.468 1.00 22.55 C ATOM 30 O PRO A 3 8.004 3.187 -4.234 1.00 42.14 O ATOM 31 CB PRO A 3 5.863 4.865 -2.712 1.00 34.34 C ATOM 32 CG PRO A 3 6.781 4.722 -1.547 1.00 40.14 C ATOM 33 CD PRO A 3 6.567 3.331 -1.019 1.00 62.52 C ATOM 0 HA PRO A 3 4.832 3.227 -3.776 1.00 23.35 H new ATOM 0 HB2 PRO A 3 6.241 5.596 -3.427 1.00 34.34 H new ATOM 0 HB3 PRO A 3 4.876 5.206 -2.399 1.00 34.34 H new ATOM 0 HG2 PRO A 3 7.818 4.870 -1.847 1.00 40.14 H new ATOM 0 HG3 PRO A 3 6.561 5.468 -0.783 1.00 40.14 H new ATOM 0 HD2 PRO A 3 7.485 2.912 -0.606 1.00 62.52 H new ATOM 0 HD3 PRO A 3 5.822 3.313 -0.223 1.00 62.52 H new ATOM 41 N LEU A 4 6.309 3.401 -5.699 1.00 4.33 N ATOM 42 CA LEU A 4 7.167 3.294 -6.874 1.00 74.32 C ATOM 43 C LEU A 4 8.269 4.347 -6.842 1.00 65.12 C ATOM 44 O LEU A 4 9.331 4.167 -7.440 1.00 13.34 O ATOM 45 CB LEU A 4 6.337 3.446 -8.150 1.00 41.14 C ATOM 46 CG LEU A 4 5.802 4.849 -8.440 1.00 10.05 C ATOM 47 CD1 LEU A 4 5.685 5.077 -9.939 1.00 1.34 C ATOM 48 CD2 LEU A 4 4.456 5.057 -7.760 1.00 44.10 C ATOM 0 H LEU A 4 5.319 3.525 -5.910 1.00 4.33 H new ATOM 0 HA LEU A 4 7.633 2.308 -6.865 1.00 74.32 H new ATOM 0 HB2 LEU A 4 6.947 3.130 -8.996 1.00 41.14 H new ATOM 0 HB3 LEU A 4 5.491 2.761 -8.093 1.00 41.14 H new ATOM 0 HG LEU A 4 6.507 5.576 -8.037 1.00 10.05 H new ATOM 0 HD11 LEU A 4 5.303 6.081 -10.126 1.00 1.34 H new ATOM 0 HD12 LEU A 4 6.667 4.971 -10.401 1.00 1.34 H new ATOM 0 HD13 LEU A 4 5.002 4.343 -10.366 1.00 1.34 H new ATOM 0 HD21 LEU A 4 4.090 6.061 -7.977 1.00 44.10 H new ATOM 0 HD22 LEU A 4 3.743 4.322 -8.133 1.00 44.10 H new ATOM 0 HD23 LEU A 4 4.570 4.938 -6.683 1.00 44.10 H new ATOM 60 N SER A 5 8.012 5.445 -6.139 1.00 53.12 N ATOM 61 CA SER A 5 8.982 6.528 -6.030 1.00 51.32 C ATOM 62 C SER A 5 10.215 6.077 -5.252 1.00 55.35 C ATOM 63 O SER A 5 11.347 6.346 -5.652 1.00 75.44 O ATOM 64 CB SER A 5 8.349 7.741 -5.346 1.00 11.40 C ATOM 65 OG SER A 5 8.341 7.586 -3.937 1.00 72.15 O ATOM 0 H SER A 5 7.140 5.608 -5.636 1.00 53.12 H new ATOM 0 HA SER A 5 9.292 6.808 -7.037 1.00 51.32 H new ATOM 0 HB2 SER A 5 8.901 8.642 -5.613 1.00 11.40 H new ATOM 0 HB3 SER A 5 7.329 7.874 -5.706 1.00 11.40 H new ATOM 0 HG SER A 5 7.933 8.375 -3.523 1.00 72.15 H new ATOM 71 N ASN A 6 9.985 5.390 -4.138 1.00 53.12 N ATOM 72 CA ASN A 6 11.076 4.902 -3.303 1.00 33.42 C ATOM 73 C ASN A 6 11.832 3.775 -4.000 1.00 21.21 C ATOM 74 O ASN A 6 13.063 3.772 -4.040 1.00 32.44 O ATOM 75 CB ASN A 6 10.536 4.412 -1.957 1.00 51.53 C ATOM 76 CG ASN A 6 11.629 3.862 -1.061 1.00 53.15 C ATOM 77 OD1 ASN A 6 11.476 2.799 -0.459 1.00 45.13 O ATOM 78 ND2 ASN A 6 12.738 4.586 -0.969 1.00 64.44 N ATOM 0 H ASN A 6 9.053 5.159 -3.793 1.00 53.12 H new ATOM 0 HA ASN A 6 11.767 5.728 -3.132 1.00 33.42 H new ATOM 0 HB2 ASN A 6 10.033 5.235 -1.449 1.00 51.53 H new ATOM 0 HB3 ASN A 6 9.787 3.639 -2.129 1.00 51.53 H new ATOM 0 HD21 ASN A 6 13.508 4.267 -0.381 1.00 64.44 H new ATOM 0 HD22 ASN A 6 12.820 5.461 -1.487 1.00 64.44 H new ATOM 85 N ILE A 7 11.088 2.821 -4.548 1.00 75.42 N ATOM 86 CA ILE A 7 11.688 1.690 -5.245 1.00 73.31 C ATOM 87 C ILE A 7 12.678 2.160 -6.305 1.00 73.13 C ATOM 88 O ILE A 7 13.832 1.733 -6.323 1.00 74.12 O ATOM 89 CB ILE A 7 10.617 0.808 -5.914 1.00 33.01 C ATOM 90 CG1 ILE A 7 9.801 0.065 -4.853 1.00 41.55 C ATOM 91 CG2 ILE A 7 11.266 -0.176 -6.876 1.00 32.13 C ATOM 92 CD1 ILE A 7 8.479 -0.460 -5.367 1.00 15.34 C ATOM 0 H ILE A 7 10.068 2.808 -4.523 1.00 75.42 H new ATOM 0 HA ILE A 7 12.215 1.101 -4.495 1.00 73.31 H new ATOM 0 HB ILE A 7 9.942 1.449 -6.481 1.00 33.01 H new ATOM 0 HG12 ILE A 7 10.390 -0.769 -4.471 1.00 41.55 H new ATOM 0 HG13 ILE A 7 9.615 0.735 -4.014 1.00 41.55 H new ATOM 0 HG21 ILE A 7 10.496 -0.792 -7.341 1.00 32.13 H new ATOM 0 HG22 ILE A 7 11.807 0.372 -7.647 1.00 32.13 H new ATOM 0 HG23 ILE A 7 11.961 -0.814 -6.330 1.00 32.13 H new ATOM 0 HD11 ILE A 7 7.954 -0.975 -4.562 1.00 15.34 H new ATOM 0 HD12 ILE A 7 7.871 0.372 -5.723 1.00 15.34 H new ATOM 0 HD13 ILE A 7 8.658 -1.156 -6.187 1.00 15.34 H new ATOM 104 N GLU A 8 12.218 3.043 -7.186 1.00 42.21 N ATOM 105 CA GLU A 8 13.065 3.572 -8.249 1.00 54.21 C ATOM 106 C GLU A 8 14.369 4.125 -7.682 1.00 13.43 C ATOM 107 O GLU A 8 15.455 3.674 -8.043 1.00 11.11 O ATOM 108 CB GLU A 8 12.327 4.667 -9.022 1.00 14.53 C ATOM 109 CG GLU A 8 11.483 4.140 -10.170 1.00 64.52 C ATOM 110 CD GLU A 8 10.961 5.245 -11.067 1.00 0.22 C ATOM 111 OE1 GLU A 8 10.790 6.379 -10.573 1.00 51.21 O ATOM 112 OE2 GLU A 8 10.724 4.976 -12.263 1.00 73.30 O ATOM 0 H GLU A 8 11.265 3.407 -7.185 1.00 42.21 H new ATOM 0 HA GLU A 8 13.303 2.754 -8.929 1.00 54.21 H new ATOM 0 HB2 GLU A 8 11.685 5.216 -8.333 1.00 14.53 H new ATOM 0 HB3 GLU A 8 13.055 5.377 -9.414 1.00 14.53 H new ATOM 0 HG2 GLU A 8 12.077 3.446 -10.764 1.00 64.52 H new ATOM 0 HG3 GLU A 8 10.641 3.576 -9.768 1.00 64.52 H new ATOM 119 N GLU A 9 14.251 5.106 -6.792 1.00 23.13 N ATOM 120 CA GLU A 9 15.421 5.722 -6.176 1.00 32.43 C ATOM 121 C GLU A 9 16.323 4.665 -5.545 1.00 22.00 C ATOM 122 O GLU A 9 17.539 4.676 -5.738 1.00 51.25 O ATOM 123 CB GLU A 9 14.991 6.739 -5.117 1.00 32.13 C ATOM 124 CG GLU A 9 14.068 7.821 -5.651 1.00 72.13 C ATOM 125 CD GLU A 9 14.815 8.906 -6.402 1.00 14.30 C ATOM 126 OE1 GLU A 9 15.484 8.582 -7.405 1.00 22.23 O ATOM 127 OE2 GLU A 9 14.729 10.081 -5.986 1.00 71.11 O ATOM 0 H GLU A 9 13.359 5.491 -6.482 1.00 23.13 H new ATOM 0 HA GLU A 9 15.983 6.236 -6.956 1.00 32.43 H new ATOM 0 HB2 GLU A 9 14.489 6.214 -4.304 1.00 32.13 H new ATOM 0 HB3 GLU A 9 15.879 7.208 -4.694 1.00 32.13 H new ATOM 0 HG2 GLU A 9 13.329 7.369 -6.313 1.00 72.13 H new ATOM 0 HG3 GLU A 9 13.521 8.269 -4.821 1.00 72.13 H new ATOM 134 N ARG A 10 15.719 3.754 -4.790 1.00 31.25 N ATOM 135 CA ARG A 10 16.467 2.691 -4.129 1.00 0.24 C ATOM 136 C ARG A 10 17.245 1.860 -5.145 1.00 54.42 C ATOM 137 O ARG A 10 18.450 1.655 -5.003 1.00 1.00 O ATOM 138 CB ARG A 10 15.520 1.790 -3.335 1.00 21.45 C ATOM 139 CG ARG A 10 15.171 2.334 -1.959 1.00 40.21 C ATOM 140 CD ARG A 10 16.405 2.454 -1.078 1.00 14.30 C ATOM 141 NE ARG A 10 17.263 1.277 -1.174 1.00 72.42 N ATOM 142 CZ ARG A 10 18.548 1.274 -0.837 1.00 53.00 C ATOM 143 NH1 ARG A 10 19.120 2.381 -0.383 1.00 73.25 N ATOM 144 NH2 ARG A 10 19.263 0.162 -0.953 1.00 10.43 N ATOM 0 H ARG A 10 14.713 3.730 -4.620 1.00 31.25 H new ATOM 0 HA ARG A 10 17.178 3.153 -3.444 1.00 0.24 H new ATOM 0 HB2 ARG A 10 14.601 1.651 -3.905 1.00 21.45 H new ATOM 0 HB3 ARG A 10 15.977 0.807 -3.222 1.00 21.45 H new ATOM 0 HG2 ARG A 10 14.700 3.311 -2.062 1.00 40.21 H new ATOM 0 HG3 ARG A 10 14.444 1.678 -1.481 1.00 40.21 H new ATOM 0 HD2 ARG A 10 16.971 3.340 -1.366 1.00 14.30 H new ATOM 0 HD3 ARG A 10 16.098 2.595 -0.042 1.00 14.30 H new ATOM 0 HE ARG A 10 16.853 0.409 -1.519 1.00 72.42 H new ATOM 0 HH11 ARG A 10 18.573 3.237 -0.292 1.00 73.25 H new ATOM 0 HH12 ARG A 10 20.107 2.376 -0.125 1.00 73.25 H new ATOM 0 HH21 ARG A 10 18.826 -0.691 -1.301 1.00 10.43 H new ATOM 0 HH22 ARG A 10 20.250 0.161 -0.694 1.00 10.43 H new ATOM 158 N VAL A 11 16.546 1.384 -6.171 1.00 40.31 N ATOM 159 CA VAL A 11 17.170 0.576 -7.212 1.00 3.41 C ATOM 160 C VAL A 11 18.451 1.229 -7.720 1.00 53.24 C ATOM 161 O VAL A 11 19.524 0.628 -7.685 1.00 24.53 O ATOM 162 CB VAL A 11 16.214 0.354 -8.399 1.00 22.33 C ATOM 163 CG1 VAL A 11 16.913 -0.414 -9.510 1.00 73.44 C ATOM 164 CG2 VAL A 11 14.960 -0.376 -7.942 1.00 52.42 C ATOM 0 H VAL A 11 15.547 1.544 -6.303 1.00 40.31 H new ATOM 0 HA VAL A 11 17.410 -0.388 -6.764 1.00 3.41 H new ATOM 0 HB VAL A 11 15.918 1.326 -8.793 1.00 22.33 H new ATOM 0 HG11 VAL A 11 16.223 -0.562 -10.340 1.00 73.44 H new ATOM 0 HG12 VAL A 11 17.779 0.152 -9.854 1.00 73.44 H new ATOM 0 HG13 VAL A 11 17.239 -1.383 -9.133 1.00 73.44 H new ATOM 0 HG21 VAL A 11 14.295 -0.525 -8.793 1.00 52.42 H new ATOM 0 HG22 VAL A 11 15.235 -1.344 -7.523 1.00 52.42 H new ATOM 0 HG23 VAL A 11 14.450 0.217 -7.183 1.00 52.42 H new ATOM 174 N LYS A 12 18.331 2.465 -8.194 1.00 34.13 N ATOM 175 CA LYS A 12 19.478 3.202 -8.709 1.00 2.43 C ATOM 176 C LYS A 12 20.619 3.210 -7.696 1.00 61.33 C ATOM 177 O LYS A 12 21.765 2.914 -8.035 1.00 23.32 O ATOM 178 CB LYS A 12 19.076 4.639 -9.050 1.00 32.01 C ATOM 179 CG LYS A 12 18.073 4.736 -10.187 1.00 3.12 C ATOM 180 CD LYS A 12 18.607 4.096 -11.457 1.00 43.13 C ATOM 181 CE LYS A 12 17.924 4.658 -12.694 1.00 53.23 C ATOM 182 NZ LYS A 12 18.476 4.073 -13.947 1.00 75.54 N ATOM 0 H LYS A 12 17.450 2.977 -8.232 1.00 34.13 H new ATOM 0 HA LYS A 12 19.822 2.702 -9.615 1.00 2.43 H new ATOM 0 HB2 LYS A 12 18.653 5.110 -8.162 1.00 32.01 H new ATOM 0 HB3 LYS A 12 19.969 5.204 -9.315 1.00 32.01 H new ATOM 0 HG2 LYS A 12 17.143 4.248 -9.896 1.00 3.12 H new ATOM 0 HG3 LYS A 12 17.837 5.783 -10.377 1.00 3.12 H new ATOM 0 HD2 LYS A 12 19.682 4.263 -11.526 1.00 43.13 H new ATOM 0 HD3 LYS A 12 18.454 3.018 -11.414 1.00 43.13 H new ATOM 0 HE2 LYS A 12 16.854 4.458 -12.640 1.00 53.23 H new ATOM 0 HE3 LYS A 12 18.045 5.741 -12.715 1.00 53.23 H new ATOM 0 HZ1 LYS A 12 17.739 4.065 -14.681 1.00 75.54 H new ATOM 0 HZ2 LYS A 12 19.282 4.645 -14.272 1.00 75.54 H new ATOM 0 HZ3 LYS A 12 18.793 3.099 -13.765 1.00 75.54 H new ATOM 196 N LYS A 13 20.298 3.548 -6.452 1.00 50.23 N ATOM 197 CA LYS A 13 21.295 3.591 -5.389 1.00 52.40 C ATOM 198 C LYS A 13 22.085 2.288 -5.330 1.00 75.33 C ATOM 199 O LYS A 13 23.315 2.293 -5.388 1.00 15.40 O ATOM 200 CB LYS A 13 20.621 3.853 -4.040 1.00 52.02 C ATOM 201 CG LYS A 13 21.599 4.170 -2.923 1.00 23.55 C ATOM 202 CD LYS A 13 20.904 4.829 -1.743 1.00 23.51 C ATOM 203 CE LYS A 13 20.993 6.345 -1.820 1.00 23.03 C ATOM 204 NZ LYS A 13 21.028 6.968 -0.467 1.00 62.34 N ATOM 0 H LYS A 13 19.354 3.796 -6.155 1.00 50.23 H new ATOM 0 HA LYS A 13 21.987 4.405 -5.607 1.00 52.40 H new ATOM 0 HB2 LYS A 13 19.923 4.684 -4.147 1.00 52.02 H new ATOM 0 HB3 LYS A 13 20.034 2.978 -3.760 1.00 52.02 H new ATOM 0 HG2 LYS A 13 22.086 3.252 -2.593 1.00 23.55 H new ATOM 0 HG3 LYS A 13 22.382 4.829 -3.300 1.00 23.55 H new ATOM 0 HD2 LYS A 13 19.857 4.526 -1.720 1.00 23.51 H new ATOM 0 HD3 LYS A 13 21.357 4.484 -0.813 1.00 23.51 H new ATOM 0 HE2 LYS A 13 21.888 6.629 -2.374 1.00 23.03 H new ATOM 0 HE3 LYS A 13 20.139 6.731 -2.376 1.00 23.03 H new ATOM 0 HZ1 LYS A 13 21.089 8.002 -0.562 1.00 62.34 H new ATOM 0 HZ2 LYS A 13 20.162 6.718 0.053 1.00 62.34 H new ATOM 0 HZ3 LYS A 13 21.857 6.619 0.054 1.00 62.34 H new ATOM 218 N ILE A 14 21.370 1.173 -5.217 1.00 1.22 N ATOM 219 CA ILE A 14 22.005 -0.137 -5.153 1.00 71.32 C ATOM 220 C ILE A 14 22.990 -0.327 -6.302 1.00 32.42 C ATOM 221 O ILE A 14 24.184 -0.531 -6.081 1.00 41.13 O ATOM 222 CB ILE A 14 20.963 -1.270 -5.193 1.00 35.41 C ATOM 223 CG1 ILE A 14 20.127 -1.270 -3.911 1.00 2.50 C ATOM 224 CG2 ILE A 14 21.649 -2.615 -5.384 1.00 14.23 C ATOM 225 CD1 ILE A 14 18.645 -1.096 -4.156 1.00 13.01 C ATOM 0 H ILE A 14 20.351 1.151 -5.168 1.00 1.22 H new ATOM 0 HA ILE A 14 22.542 -0.181 -4.206 1.00 71.32 H new ATOM 0 HB ILE A 14 20.297 -1.100 -6.039 1.00 35.41 H new ATOM 0 HG12 ILE A 14 20.292 -2.207 -3.380 1.00 2.50 H new ATOM 0 HG13 ILE A 14 20.476 -0.469 -3.259 1.00 2.50 H new ATOM 0 HG21 ILE A 14 20.899 -3.406 -5.410 1.00 14.23 H new ATOM 0 HG22 ILE A 14 22.204 -2.610 -6.322 1.00 14.23 H new ATOM 0 HG23 ILE A 14 22.336 -2.794 -4.557 1.00 14.23 H new ATOM 0 HD11 ILE A 14 18.115 -1.106 -3.203 1.00 13.01 H new ATOM 0 HD12 ILE A 14 18.469 -0.146 -4.660 1.00 13.01 H new ATOM 0 HD13 ILE A 14 18.281 -1.911 -4.782 1.00 13.01 H new ATOM 237 N ILE A 15 22.481 -0.258 -7.527 1.00 44.14 N ATOM 238 CA ILE A 15 23.317 -0.419 -8.711 1.00 30.32 C ATOM 239 C ILE A 15 24.526 0.509 -8.661 1.00 53.01 C ATOM 240 O ILE A 15 25.581 0.202 -9.215 1.00 62.13 O ATOM 241 CB ILE A 15 22.524 -0.143 -10.002 1.00 1.42 C ATOM 242 CG1 ILE A 15 21.416 -1.183 -10.179 1.00 23.22 C ATOM 243 CG2 ILE A 15 23.455 -0.142 -11.205 1.00 71.12 C ATOM 244 CD1 ILE A 15 20.031 -0.582 -10.266 1.00 30.02 C ATOM 0 H ILE A 15 21.495 -0.092 -7.726 1.00 44.14 H new ATOM 0 HA ILE A 15 23.657 -1.454 -8.718 1.00 30.32 H new ATOM 0 HB ILE A 15 22.062 0.841 -9.924 1.00 1.42 H new ATOM 0 HG12 ILE A 15 21.611 -1.759 -11.084 1.00 23.22 H new ATOM 0 HG13 ILE A 15 21.448 -1.882 -9.343 1.00 23.22 H new ATOM 0 HG21 ILE A 15 22.880 0.054 -12.110 1.00 71.12 H new ATOM 0 HG22 ILE A 15 24.211 0.634 -11.080 1.00 71.12 H new ATOM 0 HG23 ILE A 15 23.943 -1.113 -11.289 1.00 71.12 H new ATOM 0 HD11 ILE A 15 19.296 -1.378 -10.391 1.00 30.02 H new ATOM 0 HD12 ILE A 15 19.816 -0.030 -9.351 1.00 30.02 H new ATOM 0 HD13 ILE A 15 19.981 0.095 -11.119 1.00 30.02 H new ATOM 256 N VAL A 16 24.365 1.646 -7.992 1.00 13.14 N ATOM 257 CA VAL A 16 25.443 2.619 -7.866 1.00 65.22 C ATOM 258 C VAL A 16 26.437 2.201 -6.788 1.00 45.33 C ATOM 259 O VAL A 16 27.634 2.465 -6.899 1.00 2.12 O ATOM 260 CB VAL A 16 24.899 4.020 -7.532 1.00 43.50 C ATOM 261 CG1 VAL A 16 26.041 4.978 -7.226 1.00 21.31 C ATOM 262 CG2 VAL A 16 24.044 4.546 -8.675 1.00 60.10 C ATOM 0 H VAL A 16 23.497 1.916 -7.529 1.00 13.14 H new ATOM 0 HA VAL A 16 25.951 2.655 -8.830 1.00 65.22 H new ATOM 0 HB VAL A 16 24.272 3.944 -6.644 1.00 43.50 H new ATOM 0 HG11 VAL A 16 25.637 5.963 -6.992 1.00 21.31 H new ATOM 0 HG12 VAL A 16 26.609 4.607 -6.373 1.00 21.31 H new ATOM 0 HG13 VAL A 16 26.697 5.051 -8.094 1.00 21.31 H new ATOM 0 HG21 VAL A 16 23.668 5.537 -8.422 1.00 60.10 H new ATOM 0 HG22 VAL A 16 24.646 4.607 -9.582 1.00 60.10 H new ATOM 0 HG23 VAL A 16 23.205 3.871 -8.842 1.00 60.10 H new ATOM 272 N GLU A 17 25.933 1.548 -5.747 1.00 34.44 N ATOM 273 CA GLU A 17 26.777 1.094 -4.648 1.00 64.31 C ATOM 274 C GLU A 17 27.499 -0.200 -5.015 1.00 53.02 C ATOM 275 O GLU A 17 28.596 -0.470 -4.527 1.00 72.14 O ATOM 276 CB GLU A 17 25.940 0.883 -3.385 1.00 30.20 C ATOM 277 CG GLU A 17 25.744 2.148 -2.567 1.00 32.15 C ATOM 278 CD GLU A 17 26.944 2.473 -1.698 1.00 52.14 C ATOM 279 OE1 GLU A 17 27.932 1.711 -1.741 1.00 34.41 O ATOM 280 OE2 GLU A 17 26.894 3.491 -0.976 1.00 64.04 O ATOM 0 H GLU A 17 24.944 1.321 -5.641 1.00 34.44 H new ATOM 0 HA GLU A 17 27.523 1.865 -4.455 1.00 64.31 H new ATOM 0 HB2 GLU A 17 24.964 0.488 -3.668 1.00 30.20 H new ATOM 0 HB3 GLU A 17 26.421 0.129 -2.762 1.00 30.20 H new ATOM 0 HG2 GLU A 17 25.550 2.984 -3.239 1.00 32.15 H new ATOM 0 HG3 GLU A 17 24.863 2.035 -1.935 1.00 32.15 H new ATOM 287 N GLN A 18 26.873 -0.995 -5.877 1.00 64.14 N ATOM 288 CA GLN A 18 27.455 -2.261 -6.309 1.00 11.33 C ATOM 289 C GLN A 18 28.494 -2.038 -7.403 1.00 11.34 C ATOM 290 O GLN A 18 29.625 -2.515 -7.306 1.00 23.04 O ATOM 291 CB GLN A 18 26.361 -3.203 -6.813 1.00 33.43 C ATOM 292 CG GLN A 18 25.319 -3.544 -5.760 1.00 34.13 C ATOM 293 CD GLN A 18 25.915 -3.689 -4.374 1.00 2.55 C ATOM 294 OE1 GLN A 18 26.419 -4.752 -4.010 1.00 1.53 O ATOM 295 NE2 GLN A 18 25.862 -2.617 -3.591 1.00 75.00 N ATOM 0 H GLN A 18 25.964 -0.785 -6.290 1.00 64.14 H new ATOM 0 HA GLN A 18 27.950 -2.716 -5.451 1.00 11.33 H new ATOM 0 HB2 GLN A 18 25.865 -2.745 -7.668 1.00 33.43 H new ATOM 0 HB3 GLN A 18 26.822 -4.125 -7.168 1.00 33.43 H new ATOM 0 HG2 GLN A 18 24.556 -2.765 -5.744 1.00 34.13 H new ATOM 0 HG3 GLN A 18 24.820 -4.473 -6.036 1.00 34.13 H new ATOM 0 HE21 GLN A 18 25.435 -1.756 -3.933 1.00 75.00 H new ATOM 0 HE22 GLN A 18 26.248 -2.655 -2.648 1.00 75.00 H new ATOM 304 N LEU A 19 28.103 -1.310 -8.443 1.00 62.32 N ATOM 305 CA LEU A 19 29.001 -1.024 -9.557 1.00 10.22 C ATOM 306 C LEU A 19 29.926 0.142 -9.224 1.00 40.53 C ATOM 307 O LEU A 19 31.144 0.040 -9.361 1.00 44.32 O ATOM 308 CB LEU A 19 28.196 -0.707 -10.818 1.00 72.44 C ATOM 309 CG LEU A 19 27.320 -1.839 -11.357 1.00 63.33 C ATOM 310 CD1 LEU A 19 26.666 -1.430 -12.668 1.00 33.14 C ATOM 311 CD2 LEU A 19 28.142 -3.107 -11.542 1.00 55.02 C ATOM 0 H LEU A 19 27.171 -0.907 -8.538 1.00 62.32 H new ATOM 0 HA LEU A 19 29.612 -1.909 -9.736 1.00 10.22 H new ATOM 0 HB2 LEU A 19 27.558 0.152 -10.611 1.00 72.44 H new ATOM 0 HB3 LEU A 19 28.891 -0.407 -11.603 1.00 72.44 H new ATOM 0 HG LEU A 19 26.534 -2.042 -10.630 1.00 63.33 H new ATOM 0 HD11 LEU A 19 26.047 -2.248 -13.036 1.00 33.14 H new ATOM 0 HD12 LEU A 19 26.045 -0.549 -12.505 1.00 33.14 H new ATOM 0 HD13 LEU A 19 27.437 -1.199 -13.403 1.00 33.14 H new ATOM 0 HD21 LEU A 19 27.503 -3.902 -11.926 1.00 55.02 H new ATOM 0 HD22 LEU A 19 28.950 -2.917 -12.249 1.00 55.02 H new ATOM 0 HD23 LEU A 19 28.563 -3.411 -10.584 1.00 55.02 H new ATOM 323 N GLY A 20 29.338 1.251 -8.784 1.00 40.04 N ATOM 324 CA GLY A 20 30.124 2.420 -8.437 1.00 45.10 C ATOM 325 C GLY A 20 29.915 3.568 -9.404 1.00 53.32 C ATOM 326 O GLY A 20 30.250 4.714 -9.102 1.00 34.34 O ATOM 0 H GLY A 20 28.331 1.360 -8.662 1.00 40.04 H new ATOM 0 HA2 GLY A 20 29.861 2.745 -7.430 1.00 45.10 H new ATOM 0 HA3 GLY A 20 31.180 2.152 -8.420 1.00 45.10 H new ATOM 330 N VAL A 21 29.360 3.262 -10.573 1.00 20.03 N ATOM 331 CA VAL A 21 29.107 4.277 -11.588 1.00 54.12 C ATOM 332 C VAL A 21 27.980 5.212 -11.162 1.00 23.13 C ATOM 333 O VAL A 21 27.471 5.117 -10.045 1.00 55.31 O ATOM 334 CB VAL A 21 28.744 3.638 -12.942 1.00 11.40 C ATOM 335 CG1 VAL A 21 29.832 2.673 -13.386 1.00 23.02 C ATOM 336 CG2 VAL A 21 27.398 2.934 -12.855 1.00 3.21 C ATOM 0 H VAL A 21 29.077 2.319 -10.840 1.00 20.03 H new ATOM 0 HA VAL A 21 30.028 4.850 -11.699 1.00 54.12 H new ATOM 0 HB VAL A 21 28.667 4.429 -13.688 1.00 11.40 H new ATOM 0 HG11 VAL A 21 29.558 2.232 -14.344 1.00 23.02 H new ATOM 0 HG12 VAL A 21 30.775 3.210 -13.490 1.00 23.02 H new ATOM 0 HG13 VAL A 21 29.945 1.884 -12.642 1.00 23.02 H new ATOM 0 HG21 VAL A 21 27.157 2.488 -13.820 1.00 3.21 H new ATOM 0 HG22 VAL A 21 27.444 2.153 -12.096 1.00 3.21 H new ATOM 0 HG23 VAL A 21 26.627 3.656 -12.586 1.00 3.21 H new ATOM 346 N ASP A 22 27.596 6.114 -12.058 1.00 64.11 N ATOM 347 CA ASP A 22 26.528 7.066 -11.776 1.00 5.03 C ATOM 348 C ASP A 22 25.185 6.537 -12.268 1.00 51.42 C ATOM 349 O ASP A 22 25.088 5.989 -13.365 1.00 61.33 O ATOM 350 CB ASP A 22 26.832 8.414 -12.431 1.00 54.14 C ATOM 351 CG ASP A 22 26.026 9.547 -11.826 1.00 32.42 C ATOM 352 OD1 ASP A 22 26.471 10.112 -10.805 1.00 50.30 O ATOM 353 OD2 ASP A 22 24.951 9.868 -12.373 1.00 74.12 O ATOM 0 H ASP A 22 28.009 6.206 -12.986 1.00 64.11 H new ATOM 0 HA ASP A 22 26.470 7.201 -10.696 1.00 5.03 H new ATOM 0 HB2 ASP A 22 27.895 8.633 -12.328 1.00 54.14 H new ATOM 0 HB3 ASP A 22 26.621 8.352 -13.499 1.00 54.14 H new ATOM 358 N GLU A 23 24.152 6.706 -11.449 1.00 12.13 N ATOM 359 CA GLU A 23 22.815 6.244 -11.801 1.00 74.22 C ATOM 360 C GLU A 23 22.383 6.806 -13.153 1.00 24.40 C ATOM 361 O GLU A 23 21.702 6.135 -13.927 1.00 34.50 O ATOM 362 CB GLU A 23 21.809 6.652 -10.723 1.00 11.13 C ATOM 363 CG GLU A 23 21.681 8.156 -10.548 1.00 54.02 C ATOM 364 CD GLU A 23 21.347 8.552 -9.123 1.00 24.53 C ATOM 365 OE1 GLU A 23 20.873 7.682 -8.362 1.00 12.10 O ATOM 366 OE2 GLU A 23 21.561 9.730 -8.768 1.00 32.51 O ATOM 0 H GLU A 23 24.215 7.159 -10.537 1.00 12.13 H new ATOM 0 HA GLU A 23 22.842 5.157 -11.870 1.00 74.22 H new ATOM 0 HB2 GLU A 23 20.832 6.240 -10.975 1.00 11.13 H new ATOM 0 HB3 GLU A 23 22.107 6.208 -9.773 1.00 11.13 H new ATOM 0 HG2 GLU A 23 22.615 8.633 -10.844 1.00 54.02 H new ATOM 0 HG3 GLU A 23 20.906 8.531 -11.216 1.00 54.02 H new ATOM 373 N ALA A 24 22.786 8.042 -13.429 1.00 20.31 N ATOM 374 CA ALA A 24 22.443 8.694 -14.687 1.00 22.23 C ATOM 375 C ALA A 24 22.820 7.820 -15.878 1.00 41.45 C ATOM 376 O ALA A 24 21.968 7.460 -16.689 1.00 55.54 O ATOM 377 CB ALA A 24 23.131 10.048 -14.784 1.00 33.33 C ATOM 0 H ALA A 24 23.350 8.612 -12.799 1.00 20.31 H new ATOM 0 HA ALA A 24 21.364 8.845 -14.708 1.00 22.23 H new ATOM 0 HB1 ALA A 24 22.866 10.524 -15.728 1.00 33.33 H new ATOM 0 HB2 ALA A 24 22.809 10.680 -13.956 1.00 33.33 H new ATOM 0 HB3 ALA A 24 24.211 9.911 -14.737 1.00 33.33 H new ATOM 383 N GLU A 25 24.102 7.484 -15.978 1.00 4.11 N ATOM 384 CA GLU A 25 24.591 6.654 -17.073 1.00 20.24 C ATOM 385 C GLU A 25 23.782 5.364 -17.180 1.00 42.33 C ATOM 386 O GLU A 25 23.476 4.900 -18.279 1.00 10.24 O ATOM 387 CB GLU A 25 26.072 6.325 -16.871 1.00 33.31 C ATOM 388 CG GLU A 25 26.995 7.510 -17.096 1.00 51.34 C ATOM 389 CD GLU A 25 26.928 8.040 -18.516 1.00 2.14 C ATOM 390 OE1 GLU A 25 26.428 7.311 -19.397 1.00 71.25 O ATOM 391 OE2 GLU A 25 27.376 9.183 -18.745 1.00 21.14 O ATOM 0 H GLU A 25 24.821 7.773 -15.315 1.00 4.11 H new ATOM 0 HA GLU A 25 24.474 7.214 -18.001 1.00 20.24 H new ATOM 0 HB2 GLU A 25 26.217 5.949 -15.858 1.00 33.31 H new ATOM 0 HB3 GLU A 25 26.353 5.522 -17.552 1.00 33.31 H new ATOM 0 HG2 GLU A 25 26.732 8.308 -16.402 1.00 51.34 H new ATOM 0 HG3 GLU A 25 28.020 7.216 -16.870 1.00 51.34 H new ATOM 398 N VAL A 26 23.440 4.790 -16.031 1.00 73.25 N ATOM 399 CA VAL A 26 22.666 3.554 -15.995 1.00 42.43 C ATOM 400 C VAL A 26 21.254 3.774 -16.527 1.00 45.12 C ATOM 401 O VAL A 26 20.458 4.496 -15.927 1.00 31.22 O ATOM 402 CB VAL A 26 22.582 2.987 -14.566 1.00 30.40 C ATOM 403 CG1 VAL A 26 21.773 1.699 -14.550 1.00 20.43 C ATOM 404 CG2 VAL A 26 23.976 2.758 -14.001 1.00 72.31 C ATOM 0 H VAL A 26 23.686 5.161 -15.113 1.00 73.25 H new ATOM 0 HA VAL A 26 23.183 2.837 -16.633 1.00 42.43 H new ATOM 0 HB VAL A 26 22.074 3.715 -13.934 1.00 30.40 H new ATOM 0 HG11 VAL A 26 21.724 1.313 -13.532 1.00 20.43 H new ATOM 0 HG12 VAL A 26 20.764 1.899 -14.911 1.00 20.43 H new ATOM 0 HG13 VAL A 26 22.250 0.962 -15.195 1.00 20.43 H new ATOM 0 HG21 VAL A 26 23.898 2.357 -12.990 1.00 72.31 H new ATOM 0 HG22 VAL A 26 24.512 2.049 -14.632 1.00 72.31 H new ATOM 0 HG23 VAL A 26 24.518 3.703 -13.975 1.00 72.31 H new ATOM 414 N LYS A 27 20.950 3.146 -17.658 1.00 11.40 N ATOM 415 CA LYS A 27 19.633 3.271 -18.272 1.00 22.41 C ATOM 416 C LYS A 27 18.704 2.159 -17.795 1.00 54.22 C ATOM 417 O LYS A 27 19.152 1.064 -17.459 1.00 11.24 O ATOM 418 CB LYS A 27 19.753 3.231 -19.797 1.00 61.40 C ATOM 419 CG LYS A 27 20.354 4.492 -20.393 1.00 62.32 C ATOM 420 CD LYS A 27 20.190 4.527 -21.903 1.00 44.54 C ATOM 421 CE LYS A 27 21.080 3.499 -22.585 1.00 3.30 C ATOM 422 NZ LYS A 27 22.522 3.856 -22.478 1.00 22.43 N ATOM 0 H LYS A 27 21.598 2.545 -18.168 1.00 11.40 H new ATOM 0 HA LYS A 27 19.209 4.229 -17.972 1.00 22.41 H new ATOM 0 HB2 LYS A 27 20.366 2.376 -20.083 1.00 61.40 H new ATOM 0 HB3 LYS A 27 18.764 3.072 -20.227 1.00 61.40 H new ATOM 0 HG2 LYS A 27 19.875 5.367 -19.954 1.00 62.32 H new ATOM 0 HG3 LYS A 27 21.413 4.547 -20.140 1.00 62.32 H new ATOM 0 HD2 LYS A 27 19.148 4.336 -22.161 1.00 44.54 H new ATOM 0 HD3 LYS A 27 20.433 5.523 -22.273 1.00 44.54 H new ATOM 0 HE2 LYS A 27 20.914 2.520 -22.136 1.00 3.30 H new ATOM 0 HE3 LYS A 27 20.803 3.419 -23.636 1.00 3.30 H new ATOM 0 HZ1 LYS A 27 23.075 3.265 -23.131 1.00 22.43 H new ATOM 0 HZ2 LYS A 27 22.651 4.858 -22.724 1.00 22.43 H new ATOM 0 HZ3 LYS A 27 22.848 3.694 -21.504 1.00 22.43 H new ATOM 436 N ASN A 28 17.407 2.449 -17.771 1.00 34.44 N ATOM 437 CA ASN A 28 16.414 1.473 -17.336 1.00 31.30 C ATOM 438 C ASN A 28 16.312 0.320 -18.330 1.00 44.14 C ATOM 439 O ASN A 28 16.023 -0.815 -17.952 1.00 50.53 O ATOM 440 CB ASN A 28 15.048 2.142 -17.173 1.00 33.02 C ATOM 441 CG ASN A 28 14.885 2.800 -15.816 1.00 53.34 C ATOM 442 OD1 ASN A 28 15.235 3.966 -15.634 1.00 1.22 O ATOM 443 ND2 ASN A 28 14.351 2.053 -14.857 1.00 12.52 N ATOM 0 H ASN A 28 17.019 3.351 -18.047 1.00 34.44 H new ATOM 0 HA ASN A 28 16.733 1.073 -16.374 1.00 31.30 H new ATOM 0 HB2 ASN A 28 14.917 2.890 -17.955 1.00 33.02 H new ATOM 0 HB3 ASN A 28 14.263 1.398 -17.310 1.00 33.02 H new ATOM 0 HD21 ASN A 28 14.216 2.441 -13.924 1.00 12.52 H new ATOM 0 HD22 ASN A 28 14.076 1.091 -15.054 1.00 12.52 H new ATOM 450 N GLU A 29 16.553 0.620 -19.603 1.00 5.42 N ATOM 451 CA GLU A 29 16.489 -0.391 -20.651 1.00 71.02 C ATOM 452 C GLU A 29 17.877 -0.947 -20.957 1.00 34.43 C ATOM 453 O GLU A 29 18.149 -1.385 -22.074 1.00 22.31 O ATOM 454 CB GLU A 29 15.873 0.198 -21.922 1.00 14.22 C ATOM 455 CG GLU A 29 14.538 0.887 -21.688 1.00 65.13 C ATOM 456 CD GLU A 29 13.397 0.213 -22.425 1.00 42.01 C ATOM 457 OE1 GLU A 29 13.602 -0.203 -23.584 1.00 64.52 O ATOM 458 OE2 GLU A 29 12.299 0.102 -21.842 1.00 14.15 O ATOM 0 H GLU A 29 16.794 1.555 -19.933 1.00 5.42 H new ATOM 0 HA GLU A 29 15.860 -1.207 -20.295 1.00 71.02 H new ATOM 0 HB2 GLU A 29 16.571 0.914 -22.356 1.00 14.22 H new ATOM 0 HB3 GLU A 29 15.738 -0.599 -22.653 1.00 14.22 H new ATOM 0 HG2 GLU A 29 14.320 0.896 -20.620 1.00 65.13 H new ATOM 0 HG3 GLU A 29 14.609 1.927 -22.008 1.00 65.13 H new ATOM 465 N ALA A 30 18.750 -0.926 -19.955 1.00 51.21 N ATOM 466 CA ALA A 30 20.109 -1.429 -20.115 1.00 55.23 C ATOM 467 C ALA A 30 20.348 -2.652 -19.237 1.00 2.03 C ATOM 468 O ALA A 30 19.901 -2.702 -18.091 1.00 25.12 O ATOM 469 CB ALA A 30 21.117 -0.337 -19.790 1.00 63.20 C ATOM 0 H ALA A 30 18.540 -0.566 -19.024 1.00 51.21 H new ATOM 0 HA ALA A 30 20.239 -1.730 -21.154 1.00 55.23 H new ATOM 0 HB1 ALA A 30 22.128 -0.726 -19.914 1.00 63.20 H new ATOM 0 HB2 ALA A 30 20.968 0.507 -20.463 1.00 63.20 H new ATOM 0 HB3 ALA A 30 20.978 -0.009 -18.760 1.00 63.20 H new ATOM 475 N SER A 31 21.055 -3.637 -19.782 1.00 3.24 N ATOM 476 CA SER A 31 21.350 -4.862 -19.048 1.00 63.34 C ATOM 477 C SER A 31 22.571 -4.679 -18.152 1.00 42.41 C ATOM 478 O SER A 31 23.355 -3.747 -18.334 1.00 40.14 O ATOM 479 CB SER A 31 21.587 -6.019 -20.021 1.00 60.21 C ATOM 480 OG SER A 31 21.260 -7.262 -19.424 1.00 61.24 O ATOM 0 H SER A 31 21.434 -3.611 -20.729 1.00 3.24 H new ATOM 0 HA SER A 31 20.491 -5.095 -18.418 1.00 63.34 H new ATOM 0 HB2 SER A 31 20.985 -5.873 -20.918 1.00 60.21 H new ATOM 0 HB3 SER A 31 22.631 -6.026 -20.335 1.00 60.21 H new ATOM 0 HG SER A 31 21.236 -7.959 -20.112 1.00 61.24 H new ATOM 486 N PHE A 32 22.726 -5.574 -17.183 1.00 33.34 N ATOM 487 CA PHE A 32 23.850 -5.512 -16.256 1.00 41.21 C ATOM 488 C PHE A 32 25.134 -5.995 -16.925 1.00 74.00 C ATOM 489 O PHE A 32 26.235 -5.735 -16.441 1.00 22.31 O ATOM 490 CB PHE A 32 23.561 -6.355 -15.013 1.00 20.05 C ATOM 491 CG PHE A 32 22.206 -6.100 -14.417 1.00 73.43 C ATOM 492 CD1 PHE A 32 21.661 -4.826 -14.421 1.00 61.32 C ATOM 493 CD2 PHE A 32 21.476 -7.135 -13.855 1.00 21.14 C ATOM 494 CE1 PHE A 32 20.415 -4.589 -13.873 1.00 75.44 C ATOM 495 CE2 PHE A 32 20.229 -6.904 -13.306 1.00 33.23 C ATOM 496 CZ PHE A 32 19.697 -5.630 -13.316 1.00 51.31 C ATOM 0 H PHE A 32 22.087 -6.352 -17.019 1.00 33.34 H new ATOM 0 HA PHE A 32 23.985 -4.472 -15.958 1.00 41.21 H new ATOM 0 HB2 PHE A 32 23.642 -7.410 -15.273 1.00 20.05 H new ATOM 0 HB3 PHE A 32 24.324 -6.152 -14.261 1.00 20.05 H new ATOM 0 HD1 PHE A 32 22.216 -4.009 -14.857 1.00 61.32 H new ATOM 0 HD2 PHE A 32 21.886 -8.134 -13.846 1.00 21.14 H new ATOM 0 HE1 PHE A 32 20.003 -3.591 -13.880 1.00 75.44 H new ATOM 0 HE2 PHE A 32 19.671 -7.719 -12.870 1.00 33.23 H new ATOM 0 HZ PHE A 32 18.722 -5.447 -12.889 1.00 51.31 H new ATOM 506 N VAL A 33 24.983 -6.701 -18.041 1.00 55.34 N ATOM 507 CA VAL A 33 26.128 -7.220 -18.778 1.00 63.52 C ATOM 508 C VAL A 33 26.116 -6.739 -20.225 1.00 31.14 C ATOM 509 O VAL A 33 27.134 -6.285 -20.747 1.00 70.13 O ATOM 510 CB VAL A 33 26.155 -8.760 -18.761 1.00 74.44 C ATOM 511 CG1 VAL A 33 27.440 -9.280 -19.388 1.00 55.54 C ATOM 512 CG2 VAL A 33 25.997 -9.280 -17.340 1.00 62.14 C ATOM 0 H VAL A 33 24.078 -6.927 -18.454 1.00 55.34 H new ATOM 0 HA VAL A 33 27.021 -6.842 -18.281 1.00 63.52 H new ATOM 0 HB VAL A 33 25.317 -9.127 -19.353 1.00 74.44 H new ATOM 0 HG11 VAL A 33 27.440 -10.370 -19.367 1.00 55.54 H new ATOM 0 HG12 VAL A 33 27.506 -8.937 -20.421 1.00 55.54 H new ATOM 0 HG13 VAL A 33 28.296 -8.906 -18.827 1.00 55.54 H new ATOM 0 HG21 VAL A 33 26.018 -10.370 -17.347 1.00 62.14 H new ATOM 0 HG22 VAL A 33 26.813 -8.905 -16.722 1.00 62.14 H new ATOM 0 HG23 VAL A 33 25.046 -8.938 -16.931 1.00 62.14 H new ATOM 522 N ASP A 34 24.957 -6.841 -20.866 1.00 42.22 N ATOM 523 CA ASP A 34 24.811 -6.414 -22.253 1.00 70.10 C ATOM 524 C ASP A 34 25.192 -4.946 -22.413 1.00 11.42 C ATOM 525 O ASP A 34 26.194 -4.620 -23.050 1.00 55.40 O ATOM 526 CB ASP A 34 23.374 -6.636 -22.728 1.00 43.14 C ATOM 527 CG ASP A 34 22.813 -7.969 -22.274 1.00 64.12 C ATOM 528 OD1 ASP A 34 23.608 -8.915 -22.091 1.00 54.10 O ATOM 529 OD2 ASP A 34 21.580 -8.067 -22.103 1.00 1.14 O ATOM 0 H ASP A 34 24.105 -7.215 -20.448 1.00 42.22 H new ATOM 0 HA ASP A 34 25.485 -7.014 -22.865 1.00 70.10 H new ATOM 0 HB2 ASP A 34 22.742 -5.832 -22.351 1.00 43.14 H new ATOM 0 HB3 ASP A 34 23.342 -6.583 -23.816 1.00 43.14 H new ATOM 534 N ASP A 35 24.386 -4.064 -21.831 1.00 71.22 N ATOM 535 CA ASP A 35 24.638 -2.630 -21.909 1.00 2.12 C ATOM 536 C ASP A 35 25.768 -2.225 -20.967 1.00 70.10 C ATOM 537 O ASP A 35 26.816 -1.750 -21.406 1.00 24.21 O ATOM 538 CB ASP A 35 23.369 -1.848 -21.568 1.00 74.01 C ATOM 539 CG ASP A 35 22.366 -1.847 -22.706 1.00 23.55 C ATOM 540 OD1 ASP A 35 21.610 -2.833 -22.829 1.00 55.13 O ATOM 541 OD2 ASP A 35 22.339 -0.862 -23.472 1.00 41.05 O ATOM 0 H ASP A 35 23.553 -4.317 -21.300 1.00 71.22 H new ATOM 0 HA ASP A 35 24.937 -2.394 -22.930 1.00 2.12 H new ATOM 0 HB2 ASP A 35 22.907 -2.280 -20.681 1.00 74.01 H new ATOM 0 HB3 ASP A 35 23.634 -0.820 -21.321 1.00 74.01 H new ATOM 546 N LEU A 36 25.547 -2.415 -19.671 1.00 3.11 N ATOM 547 CA LEU A 36 26.546 -2.069 -18.666 1.00 5.40 C ATOM 548 C LEU A 36 27.897 -2.691 -19.004 1.00 63.20 C ATOM 549 O LEU A 36 28.814 -2.004 -19.452 1.00 61.33 O ATOM 550 CB LEU A 36 26.089 -2.534 -17.282 1.00 64.24 C ATOM 551 CG LEU A 36 25.338 -1.502 -16.441 1.00 43.30 C ATOM 552 CD1 LEU A 36 24.209 -0.877 -17.246 1.00 2.23 C ATOM 553 CD2 LEU A 36 24.799 -2.140 -15.169 1.00 64.22 C ATOM 0 H LEU A 36 24.685 -2.807 -19.291 1.00 3.11 H new ATOM 0 HA LEU A 36 26.658 -0.985 -18.659 1.00 5.40 H new ATOM 0 HB2 LEU A 36 25.448 -3.407 -17.407 1.00 64.24 H new ATOM 0 HB3 LEU A 36 26.966 -2.860 -16.723 1.00 64.24 H new ATOM 0 HG LEU A 36 26.036 -0.713 -16.160 1.00 43.30 H new ATOM 0 HD11 LEU A 36 23.686 -0.145 -16.631 1.00 2.23 H new ATOM 0 HD12 LEU A 36 24.620 -0.384 -18.127 1.00 2.23 H new ATOM 0 HD13 LEU A 36 23.511 -1.654 -17.558 1.00 2.23 H new ATOM 0 HD21 LEU A 36 24.267 -1.390 -14.583 1.00 64.22 H new ATOM 0 HD22 LEU A 36 24.116 -2.949 -15.429 1.00 64.22 H new ATOM 0 HD23 LEU A 36 25.627 -2.539 -14.583 1.00 64.22 H new ATOM 565 N GLY A 37 28.012 -3.998 -18.787 1.00 72.25 N ATOM 566 CA GLY A 37 29.253 -4.692 -19.077 1.00 21.04 C ATOM 567 C GLY A 37 29.851 -5.347 -17.847 1.00 71.44 C ATOM 568 O GLY A 37 31.071 -5.448 -17.721 1.00 12.03 O ATOM 0 H GLY A 37 27.268 -4.588 -18.416 1.00 72.25 H new ATOM 0 HA2 GLY A 37 29.072 -5.451 -19.838 1.00 21.04 H new ATOM 0 HA3 GLY A 37 29.971 -3.987 -19.495 1.00 21.04 H new ATOM 572 N ALA A 38 28.990 -5.793 -16.938 1.00 72.05 N ATOM 573 CA ALA A 38 29.440 -6.442 -15.713 1.00 71.25 C ATOM 574 C ALA A 38 29.386 -7.960 -15.845 1.00 32.50 C ATOM 575 O ALA A 38 28.869 -8.490 -16.829 1.00 13.21 O ATOM 576 CB ALA A 38 28.598 -5.982 -14.533 1.00 31.45 C ATOM 0 H ALA A 38 27.977 -5.717 -17.027 1.00 72.05 H new ATOM 0 HA ALA A 38 30.477 -6.156 -15.538 1.00 71.25 H new ATOM 0 HB1 ALA A 38 28.945 -6.474 -13.625 1.00 31.45 H new ATOM 0 HB2 ALA A 38 28.691 -4.902 -14.419 1.00 31.45 H new ATOM 0 HB3 ALA A 38 27.554 -6.239 -14.709 1.00 31.45 H new ATOM 582 N ASP A 39 29.923 -8.655 -14.848 1.00 60.34 N ATOM 583 CA ASP A 39 29.935 -10.114 -14.853 1.00 5.43 C ATOM 584 C ASP A 39 28.729 -10.670 -14.102 1.00 43.43 C ATOM 585 O ASP A 39 27.925 -9.916 -13.555 1.00 53.40 O ATOM 586 CB ASP A 39 31.228 -10.636 -14.224 1.00 2.34 C ATOM 587 CG ASP A 39 32.444 -10.362 -15.087 1.00 11.42 C ATOM 588 OD1 ASP A 39 32.458 -10.811 -16.252 1.00 24.41 O ATOM 589 OD2 ASP A 39 33.381 -9.697 -14.598 1.00 14.45 O ATOM 0 H ASP A 39 30.355 -8.232 -14.027 1.00 60.34 H new ATOM 0 HA ASP A 39 29.882 -10.450 -15.889 1.00 5.43 H new ATOM 0 HB2 ASP A 39 31.367 -10.171 -13.248 1.00 2.34 H new ATOM 0 HB3 ASP A 39 31.139 -11.709 -14.057 1.00 2.34 H new ATOM 594 N SER A 40 28.610 -11.993 -14.082 1.00 30.20 N ATOM 595 CA SER A 40 27.499 -12.650 -13.403 1.00 62.31 C ATOM 596 C SER A 40 27.374 -12.157 -11.965 1.00 34.33 C ATOM 597 O SER A 40 26.268 -11.962 -11.457 1.00 63.11 O ATOM 598 CB SER A 40 27.690 -14.168 -13.419 1.00 61.11 C ATOM 599 OG SER A 40 27.416 -14.703 -14.702 1.00 60.05 O ATOM 0 H SER A 40 29.269 -12.631 -14.528 1.00 30.20 H new ATOM 0 HA SER A 40 26.581 -12.401 -13.935 1.00 62.31 H new ATOM 0 HB2 SER A 40 28.712 -14.412 -13.131 1.00 61.11 H new ATOM 0 HB3 SER A 40 27.032 -14.628 -12.682 1.00 61.11 H new ATOM 0 HG SER A 40 27.547 -15.674 -14.686 1.00 60.05 H new ATOM 605 N LEU A 41 28.514 -11.958 -11.313 1.00 13.02 N ATOM 606 CA LEU A 41 28.533 -11.488 -9.932 1.00 44.51 C ATOM 607 C LEU A 41 27.677 -10.235 -9.771 1.00 64.32 C ATOM 608 O LEU A 41 27.071 -10.016 -8.722 1.00 70.34 O ATOM 609 CB LEU A 41 29.969 -11.198 -9.492 1.00 4.42 C ATOM 610 CG LEU A 41 30.293 -11.485 -8.025 1.00 54.21 C ATOM 611 CD1 LEU A 41 29.428 -10.631 -7.111 1.00 34.32 C ATOM 612 CD2 LEU A 41 30.102 -12.963 -7.716 1.00 53.44 C ATOM 0 H LEU A 41 29.437 -12.115 -11.718 1.00 13.02 H new ATOM 0 HA LEU A 41 28.117 -12.273 -9.301 1.00 44.51 H new ATOM 0 HB2 LEU A 41 30.644 -11.786 -10.114 1.00 4.42 H new ATOM 0 HB3 LEU A 41 30.184 -10.148 -9.692 1.00 4.42 H new ATOM 0 HG LEU A 41 31.337 -11.229 -7.846 1.00 54.21 H new ATOM 0 HD11 LEU A 41 29.672 -10.849 -6.071 1.00 34.32 H new ATOM 0 HD12 LEU A 41 29.614 -9.577 -7.315 1.00 34.32 H new ATOM 0 HD13 LEU A 41 28.377 -10.855 -7.291 1.00 34.32 H new ATOM 0 HD21 LEU A 41 30.337 -13.149 -6.668 1.00 53.44 H new ATOM 0 HD22 LEU A 41 29.067 -13.245 -7.911 1.00 53.44 H new ATOM 0 HD23 LEU A 41 30.765 -13.555 -8.347 1.00 53.44 H new ATOM 624 N ASP A 42 27.631 -9.418 -10.818 1.00 24.15 N ATOM 625 CA ASP A 42 26.847 -8.189 -10.794 1.00 32.11 C ATOM 626 C ASP A 42 25.355 -8.498 -10.715 1.00 70.22 C ATOM 627 O ASP A 42 24.661 -8.040 -9.807 1.00 5.15 O ATOM 628 CB ASP A 42 27.141 -7.347 -12.036 1.00 70.13 C ATOM 629 CG ASP A 42 26.479 -5.984 -11.982 1.00 70.32 C ATOM 630 OD1 ASP A 42 26.289 -5.461 -10.864 1.00 51.42 O ATOM 631 OD2 ASP A 42 26.152 -5.441 -13.058 1.00 13.03 O ATOM 0 H ASP A 42 28.127 -9.585 -11.693 1.00 24.15 H new ATOM 0 HA ASP A 42 27.130 -7.624 -9.906 1.00 32.11 H new ATOM 0 HB2 ASP A 42 28.219 -7.220 -12.139 1.00 70.13 H new ATOM 0 HB3 ASP A 42 26.797 -7.880 -12.922 1.00 70.13 H new ATOM 636 N THR A 43 24.866 -9.278 -11.674 1.00 72.14 N ATOM 637 CA THR A 43 23.456 -9.647 -11.715 1.00 44.44 C ATOM 638 C THR A 43 22.998 -10.217 -10.378 1.00 1.30 C ATOM 639 O THR A 43 22.048 -9.720 -9.773 1.00 31.11 O ATOM 640 CB THR A 43 23.178 -10.680 -12.823 1.00 51.24 C ATOM 641 OG1 THR A 43 23.935 -11.871 -12.584 1.00 21.32 O ATOM 642 CG2 THR A 43 23.531 -10.115 -14.191 1.00 51.01 C ATOM 0 H THR A 43 25.426 -9.667 -12.433 1.00 72.14 H new ATOM 0 HA THR A 43 22.897 -8.736 -11.929 1.00 44.44 H new ATOM 0 HB THR A 43 22.114 -10.917 -12.809 1.00 51.24 H new ATOM 0 HG1 THR A 43 24.885 -11.644 -12.501 1.00 21.32 H new ATOM 0 HG21 THR A 43 23.326 -10.863 -14.957 1.00 51.01 H new ATOM 0 HG22 THR A 43 22.932 -9.225 -14.383 1.00 51.01 H new ATOM 0 HG23 THR A 43 24.589 -9.852 -14.214 1.00 51.01 H new ATOM 650 N VAL A 44 23.680 -11.262 -9.921 1.00 32.23 N ATOM 651 CA VAL A 44 23.343 -11.899 -8.653 1.00 4.01 C ATOM 652 C VAL A 44 23.367 -10.892 -7.509 1.00 4.13 C ATOM 653 O VAL A 44 22.527 -10.939 -6.611 1.00 5.53 O ATOM 654 CB VAL A 44 24.313 -13.051 -8.329 1.00 1.12 C ATOM 655 CG1 VAL A 44 25.750 -12.551 -8.313 1.00 72.44 C ATOM 656 CG2 VAL A 44 23.950 -13.695 -6.999 1.00 54.33 C ATOM 0 H VAL A 44 24.469 -11.686 -10.409 1.00 32.23 H new ATOM 0 HA VAL A 44 22.335 -12.301 -8.758 1.00 4.01 H new ATOM 0 HB VAL A 44 24.225 -13.807 -9.109 1.00 1.12 H new ATOM 0 HG11 VAL A 44 26.421 -13.379 -8.082 1.00 72.44 H new ATOM 0 HG12 VAL A 44 26.003 -12.140 -9.290 1.00 72.44 H new ATOM 0 HG13 VAL A 44 25.857 -11.775 -7.555 1.00 72.44 H new ATOM 0 HG21 VAL A 44 24.646 -14.507 -6.786 1.00 54.33 H new ATOM 0 HG22 VAL A 44 24.008 -12.950 -6.206 1.00 54.33 H new ATOM 0 HG23 VAL A 44 22.936 -14.091 -7.051 1.00 54.33 H new ATOM 666 N GLU A 45 24.336 -9.982 -7.549 1.00 14.23 N ATOM 667 CA GLU A 45 24.469 -8.963 -6.514 1.00 14.10 C ATOM 668 C GLU A 45 23.193 -8.132 -6.401 1.00 63.50 C ATOM 669 O GLU A 45 22.669 -7.925 -5.306 1.00 32.00 O ATOM 670 CB GLU A 45 25.659 -8.051 -6.815 1.00 44.44 C ATOM 671 CG GLU A 45 25.947 -7.041 -5.716 1.00 75.44 C ATOM 672 CD GLU A 45 26.820 -7.611 -4.615 1.00 54.22 C ATOM 673 OE1 GLU A 45 27.947 -8.053 -4.921 1.00 51.25 O ATOM 674 OE2 GLU A 45 26.376 -7.615 -3.448 1.00 2.31 O ATOM 0 H GLU A 45 25.039 -9.930 -8.286 1.00 14.23 H new ATOM 0 HA GLU A 45 24.639 -9.468 -5.563 1.00 14.10 H new ATOM 0 HB2 GLU A 45 26.545 -8.665 -6.973 1.00 44.44 H new ATOM 0 HB3 GLU A 45 25.470 -7.517 -7.747 1.00 44.44 H new ATOM 0 HG2 GLU A 45 26.437 -6.169 -6.148 1.00 75.44 H new ATOM 0 HG3 GLU A 45 25.006 -6.698 -5.287 1.00 75.44 H new ATOM 681 N LEU A 46 22.700 -7.659 -7.540 1.00 60.20 N ATOM 682 CA LEU A 46 21.486 -6.850 -7.571 1.00 23.44 C ATOM 683 C LEU A 46 20.298 -7.630 -7.015 1.00 45.32 C ATOM 684 O LEU A 46 19.551 -7.128 -6.176 1.00 55.52 O ATOM 685 CB LEU A 46 21.189 -6.395 -9.000 1.00 72.54 C ATOM 686 CG LEU A 46 22.324 -5.671 -9.724 1.00 42.41 C ATOM 687 CD1 LEU A 46 21.822 -5.050 -11.019 1.00 31.25 C ATOM 688 CD2 LEU A 46 22.938 -4.608 -8.824 1.00 73.00 C ATOM 0 H LEU A 46 23.122 -7.821 -8.454 1.00 60.20 H new ATOM 0 HA LEU A 46 21.647 -5.973 -6.944 1.00 23.44 H new ATOM 0 HB2 LEU A 46 20.910 -7.270 -9.588 1.00 72.54 H new ATOM 0 HB3 LEU A 46 20.321 -5.736 -8.977 1.00 72.54 H new ATOM 0 HG LEU A 46 23.095 -6.401 -9.970 1.00 42.41 H new ATOM 0 HD11 LEU A 46 22.644 -4.539 -11.520 1.00 31.25 H new ATOM 0 HD12 LEU A 46 21.430 -5.832 -11.670 1.00 31.25 H new ATOM 0 HD13 LEU A 46 21.031 -4.333 -10.796 1.00 31.25 H new ATOM 0 HD21 LEU A 46 23.744 -4.103 -9.356 1.00 73.00 H new ATOM 0 HD22 LEU A 46 22.175 -3.881 -8.547 1.00 73.00 H new ATOM 0 HD23 LEU A 46 23.335 -5.078 -7.924 1.00 73.00 H new ATOM 700 N VAL A 47 20.132 -8.861 -7.488 1.00 21.14 N ATOM 701 CA VAL A 47 19.037 -9.712 -7.036 1.00 44.31 C ATOM 702 C VAL A 47 18.977 -9.767 -5.514 1.00 35.12 C ATOM 703 O VAL A 47 17.918 -9.570 -4.917 1.00 62.44 O ATOM 704 CB VAL A 47 19.176 -11.144 -7.586 1.00 11.21 C ATOM 705 CG1 VAL A 47 18.046 -12.024 -7.074 1.00 52.02 C ATOM 706 CG2 VAL A 47 19.205 -11.130 -9.107 1.00 10.43 C ATOM 0 H VAL A 47 20.741 -9.291 -8.184 1.00 21.14 H new ATOM 0 HA VAL A 47 18.115 -9.272 -7.417 1.00 44.31 H new ATOM 0 HB VAL A 47 20.119 -11.561 -7.232 1.00 11.21 H new ATOM 0 HG11 VAL A 47 18.161 -13.032 -7.473 1.00 52.02 H new ATOM 0 HG12 VAL A 47 18.077 -12.059 -5.985 1.00 52.02 H new ATOM 0 HG13 VAL A 47 17.090 -11.613 -7.397 1.00 52.02 H new ATOM 0 HG21 VAL A 47 19.304 -12.150 -9.478 1.00 10.43 H new ATOM 0 HG22 VAL A 47 18.280 -10.694 -9.485 1.00 10.43 H new ATOM 0 HG23 VAL A 47 20.052 -10.536 -9.449 1.00 10.43 H new ATOM 716 N MET A 48 20.119 -10.036 -4.891 1.00 3.13 N ATOM 717 CA MET A 48 20.196 -10.115 -3.437 1.00 21.54 C ATOM 718 C MET A 48 19.768 -8.799 -2.797 1.00 11.43 C ATOM 719 O MET A 48 18.953 -8.782 -1.875 1.00 55.12 O ATOM 720 CB MET A 48 21.618 -10.470 -2.998 1.00 62.33 C ATOM 721 CG MET A 48 22.146 -11.750 -3.627 1.00 5.42 C ATOM 722 SD MET A 48 23.948 -11.802 -3.686 1.00 52.11 S ATOM 723 CE MET A 48 24.341 -11.923 -1.943 1.00 14.32 C ATOM 0 H MET A 48 21.004 -10.203 -5.370 1.00 3.13 H new ATOM 0 HA MET A 48 19.515 -10.898 -3.105 1.00 21.54 H new ATOM 0 HB2 MET A 48 22.285 -9.647 -3.254 1.00 62.33 H new ATOM 0 HB3 MET A 48 21.640 -10.572 -1.913 1.00 62.33 H new ATOM 0 HG2 MET A 48 21.780 -12.606 -3.061 1.00 5.42 H new ATOM 0 HG3 MET A 48 21.750 -11.844 -4.638 1.00 5.42 H new ATOM 0 HE1 MET A 48 25.423 -11.964 -1.816 1.00 14.32 H new ATOM 0 HE2 MET A 48 23.947 -11.052 -1.420 1.00 14.32 H new ATOM 0 HE3 MET A 48 23.892 -12.827 -1.531 1.00 14.32 H new ATOM 733 N ALA A 49 20.324 -7.697 -3.291 1.00 75.33 N ATOM 734 CA ALA A 49 19.998 -6.376 -2.769 1.00 35.33 C ATOM 735 C ALA A 49 18.493 -6.128 -2.805 1.00 4.54 C ATOM 736 O ALA A 49 17.950 -5.424 -1.952 1.00 54.24 O ATOM 737 CB ALA A 49 20.731 -5.301 -3.557 1.00 22.15 C ATOM 0 H ALA A 49 21.003 -7.694 -4.052 1.00 75.33 H new ATOM 0 HA ALA A 49 20.323 -6.333 -1.729 1.00 35.33 H new ATOM 0 HB1 ALA A 49 20.478 -4.320 -3.156 1.00 22.15 H new ATOM 0 HB2 ALA A 49 21.806 -5.460 -3.476 1.00 22.15 H new ATOM 0 HB3 ALA A 49 20.435 -5.352 -4.605 1.00 22.15 H new ATOM 743 N LEU A 50 17.826 -6.708 -3.796 1.00 22.02 N ATOM 744 CA LEU A 50 16.384 -6.549 -3.943 1.00 54.33 C ATOM 745 C LEU A 50 15.636 -7.337 -2.872 1.00 44.40 C ATOM 746 O LEU A 50 14.713 -6.823 -2.241 1.00 42.34 O ATOM 747 CB LEU A 50 15.939 -7.008 -5.333 1.00 44.12 C ATOM 748 CG LEU A 50 16.551 -6.256 -6.516 1.00 22.12 C ATOM 749 CD1 LEU A 50 16.583 -7.141 -7.752 1.00 24.20 C ATOM 750 CD2 LEU A 50 15.775 -4.977 -6.794 1.00 3.15 C ATOM 0 H LEU A 50 18.261 -7.293 -4.510 1.00 22.02 H new ATOM 0 HA LEU A 50 16.147 -5.492 -3.822 1.00 54.33 H new ATOM 0 HB2 LEU A 50 16.178 -8.066 -5.438 1.00 44.12 H new ATOM 0 HB3 LEU A 50 14.854 -6.919 -5.393 1.00 44.12 H new ATOM 0 HG LEU A 50 17.576 -5.987 -6.260 1.00 22.12 H new ATOM 0 HD11 LEU A 50 17.022 -6.589 -8.583 1.00 24.20 H new ATOM 0 HD12 LEU A 50 17.183 -8.028 -7.549 1.00 24.20 H new ATOM 0 HD13 LEU A 50 15.568 -7.441 -8.011 1.00 24.20 H new ATOM 0 HD21 LEU A 50 16.225 -4.455 -7.639 1.00 3.15 H new ATOM 0 HD22 LEU A 50 14.740 -5.223 -7.029 1.00 3.15 H new ATOM 0 HD23 LEU A 50 15.804 -4.335 -5.914 1.00 3.15 H new ATOM 762 N GLU A 51 16.044 -8.586 -2.671 1.00 50.11 N ATOM 763 CA GLU A 51 15.413 -9.444 -1.675 1.00 2.43 C ATOM 764 C GLU A 51 15.906 -9.101 -0.272 1.00 12.14 C ATOM 765 O GLU A 51 15.418 -9.645 0.718 1.00 22.52 O ATOM 766 CB GLU A 51 15.698 -10.915 -1.982 1.00 65.10 C ATOM 767 CG GLU A 51 17.180 -11.246 -2.053 1.00 73.02 C ATOM 768 CD GLU A 51 17.467 -12.704 -1.751 1.00 50.02 C ATOM 769 OE1 GLU A 51 17.071 -13.175 -0.665 1.00 12.33 O ATOM 770 OE2 GLU A 51 18.088 -13.374 -2.603 1.00 22.24 O ATOM 0 H GLU A 51 16.808 -9.026 -3.184 1.00 50.11 H new ATOM 0 HA GLU A 51 14.337 -9.274 -1.716 1.00 2.43 H new ATOM 0 HB2 GLU A 51 15.232 -11.534 -1.215 1.00 65.10 H new ATOM 0 HB3 GLU A 51 15.230 -11.177 -2.931 1.00 65.10 H new ATOM 0 HG2 GLU A 51 17.555 -11.004 -3.047 1.00 73.02 H new ATOM 0 HG3 GLU A 51 17.723 -10.619 -1.346 1.00 73.02 H new ATOM 777 N GLU A 52 16.876 -8.195 -0.196 1.00 52.02 N ATOM 778 CA GLU A 52 17.435 -7.781 1.085 1.00 4.11 C ATOM 779 C GLU A 52 16.971 -6.375 1.453 1.00 54.32 C ATOM 780 O GLU A 52 16.934 -6.010 2.627 1.00 1.14 O ATOM 781 CB GLU A 52 18.964 -7.829 1.039 1.00 41.24 C ATOM 782 CG GLU A 52 19.621 -7.629 2.394 1.00 32.32 C ATOM 783 CD GLU A 52 19.583 -8.880 3.251 1.00 73.03 C ATOM 784 OE1 GLU A 52 18.473 -9.303 3.635 1.00 34.00 O ATOM 785 OE2 GLU A 52 20.664 -9.436 3.536 1.00 1.12 O ATOM 0 H GLU A 52 17.291 -7.734 -1.006 1.00 52.02 H new ATOM 0 HA GLU A 52 17.079 -8.474 1.848 1.00 4.11 H new ATOM 0 HB2 GLU A 52 19.277 -8.790 0.632 1.00 41.24 H new ATOM 0 HB3 GLU A 52 19.323 -7.061 0.354 1.00 41.24 H new ATOM 0 HG2 GLU A 52 20.657 -7.323 2.250 1.00 32.32 H new ATOM 0 HG3 GLU A 52 19.120 -6.817 2.921 1.00 32.32 H new ATOM 792 N GLU A 53 16.617 -5.591 0.439 1.00 3.52 N ATOM 793 CA GLU A 53 16.156 -4.224 0.656 1.00 64.21 C ATOM 794 C GLU A 53 14.657 -4.108 0.396 1.00 21.14 C ATOM 795 O GLU A 53 13.913 -3.572 1.218 1.00 43.21 O ATOM 796 CB GLU A 53 16.919 -3.255 -0.251 1.00 34.44 C ATOM 797 CG GLU A 53 17.124 -1.881 0.364 1.00 42.03 C ATOM 798 CD GLU A 53 18.410 -1.785 1.162 1.00 32.20 C ATOM 799 OE1 GLU A 53 19.463 -2.212 0.643 1.00 33.13 O ATOM 800 OE2 GLU A 53 18.363 -1.284 2.305 1.00 63.13 O ATOM 0 H GLU A 53 16.641 -5.878 -0.539 1.00 3.52 H new ATOM 0 HA GLU A 53 16.348 -3.964 1.697 1.00 64.21 H new ATOM 0 HB2 GLU A 53 17.891 -3.685 -0.492 1.00 34.44 H new ATOM 0 HB3 GLU A 53 16.377 -3.146 -1.190 1.00 34.44 H new ATOM 0 HG2 GLU A 53 17.135 -1.131 -0.427 1.00 42.03 H new ATOM 0 HG3 GLU A 53 16.280 -1.648 1.013 1.00 42.03 H new ATOM 807 N PHE A 54 14.221 -4.614 -0.752 1.00 74.12 N ATOM 808 CA PHE A 54 12.811 -4.566 -1.122 1.00 32.31 C ATOM 809 C PHE A 54 12.058 -5.765 -0.551 1.00 51.43 C ATOM 810 O PHE A 54 10.847 -5.895 -0.733 1.00 42.30 O ATOM 811 CB PHE A 54 12.662 -4.534 -2.644 1.00 53.04 C ATOM 812 CG PHE A 54 13.200 -3.280 -3.273 1.00 32.41 C ATOM 813 CD1 PHE A 54 12.970 -2.044 -2.691 1.00 32.11 C ATOM 814 CD2 PHE A 54 13.936 -3.338 -4.445 1.00 71.22 C ATOM 815 CE1 PHE A 54 13.463 -0.889 -3.268 1.00 22.13 C ATOM 816 CE2 PHE A 54 14.432 -2.187 -5.026 1.00 42.55 C ATOM 817 CZ PHE A 54 14.196 -0.960 -4.436 1.00 63.52 C ATOM 0 H PHE A 54 14.823 -5.062 -1.443 1.00 74.12 H new ATOM 0 HA PHE A 54 12.382 -3.656 -0.703 1.00 32.31 H new ATOM 0 HB2 PHE A 54 13.178 -5.395 -3.070 1.00 53.04 H new ATOM 0 HB3 PHE A 54 11.607 -4.636 -2.900 1.00 53.04 H new ATOM 0 HD1 PHE A 54 12.399 -1.982 -1.776 1.00 32.11 H new ATOM 0 HD2 PHE A 54 14.124 -4.294 -4.910 1.00 71.22 H new ATOM 0 HE1 PHE A 54 13.275 0.069 -2.806 1.00 22.13 H new ATOM 0 HE2 PHE A 54 15.004 -2.246 -5.940 1.00 42.55 H new ATOM 0 HZ PHE A 54 14.584 -0.059 -4.887 1.00 63.52 H new ATOM 827 N ASP A 55 12.784 -6.637 0.139 1.00 73.53 N ATOM 828 CA ASP A 55 12.186 -7.825 0.737 1.00 73.40 C ATOM 829 C ASP A 55 11.376 -8.605 -0.295 1.00 0.52 C ATOM 830 O ASP A 55 10.391 -9.263 0.041 1.00 62.41 O ATOM 831 CB ASP A 55 11.292 -7.434 1.915 1.00 23.52 C ATOM 832 CG ASP A 55 10.881 -8.630 2.752 1.00 62.22 C ATOM 833 OD1 ASP A 55 11.720 -9.123 3.534 1.00 2.23 O ATOM 834 OD2 ASP A 55 9.721 -9.074 2.623 1.00 12.13 O ATOM 0 H ASP A 55 13.787 -6.544 0.298 1.00 73.53 H new ATOM 0 HA ASP A 55 12.992 -8.464 1.098 1.00 73.40 H new ATOM 0 HB2 ASP A 55 11.819 -6.717 2.545 1.00 23.52 H new ATOM 0 HB3 ASP A 55 10.400 -6.933 1.540 1.00 23.52 H new ATOM 839 N THR A 56 11.797 -8.524 -1.553 1.00 72.14 N ATOM 840 CA THR A 56 11.110 -9.219 -2.635 1.00 21.23 C ATOM 841 C THR A 56 11.754 -10.573 -2.914 1.00 55.43 C ATOM 842 O THR A 56 12.943 -10.653 -3.219 1.00 0.12 O ATOM 843 CB THR A 56 11.113 -8.385 -3.930 1.00 35.13 C ATOM 844 OG1 THR A 56 10.537 -9.141 -5.001 1.00 33.34 O ATOM 845 CG2 THR A 56 12.527 -7.966 -4.301 1.00 61.51 C ATOM 0 H THR A 56 12.611 -7.984 -1.848 1.00 72.14 H new ATOM 0 HA THR A 56 10.080 -9.369 -2.311 1.00 21.23 H new ATOM 0 HB THR A 56 10.519 -7.487 -3.759 1.00 35.13 H new ATOM 0 HG1 THR A 56 10.950 -8.874 -5.849 1.00 33.34 H new ATOM 0 HG21 THR A 56 12.503 -7.378 -5.219 1.00 61.51 H new ATOM 0 HG22 THR A 56 12.951 -7.366 -3.496 1.00 61.51 H new ATOM 0 HG23 THR A 56 13.141 -8.853 -4.454 1.00 61.51 H new ATOM 853 N GLU A 57 10.959 -11.633 -2.809 1.00 62.45 N ATOM 854 CA GLU A 57 11.453 -12.984 -3.051 1.00 43.25 C ATOM 855 C GLU A 57 11.890 -13.151 -4.504 1.00 60.20 C ATOM 856 O GLU A 57 11.084 -13.014 -5.425 1.00 43.40 O ATOM 857 CB GLU A 57 10.375 -14.014 -2.710 1.00 21.24 C ATOM 858 CG GLU A 57 10.911 -15.428 -2.555 1.00 1.53 C ATOM 859 CD GLU A 57 11.541 -15.667 -1.196 1.00 41.14 C ATOM 860 OE1 GLU A 57 12.192 -14.739 -0.672 1.00 32.33 O ATOM 861 OE2 GLU A 57 11.383 -16.783 -0.658 1.00 52.31 O ATOM 0 H GLU A 57 9.972 -11.583 -2.558 1.00 62.45 H new ATOM 0 HA GLU A 57 12.318 -13.148 -2.408 1.00 43.25 H new ATOM 0 HB2 GLU A 57 9.882 -13.718 -1.784 1.00 21.24 H new ATOM 0 HB3 GLU A 57 9.616 -14.006 -3.492 1.00 21.24 H new ATOM 0 HG2 GLU A 57 10.099 -16.139 -2.705 1.00 1.53 H new ATOM 0 HG3 GLU A 57 11.650 -15.620 -3.333 1.00 1.53 H new ATOM 868 N ILE A 58 13.170 -13.448 -4.700 1.00 61.22 N ATOM 869 CA ILE A 58 13.714 -13.635 -6.040 1.00 11.24 C ATOM 870 C ILE A 58 14.662 -14.828 -6.087 1.00 5.14 C ATOM 871 O ILE A 58 15.883 -14.686 -6.007 1.00 51.21 O ATOM 872 CB ILE A 58 14.462 -12.379 -6.523 1.00 45.24 C ATOM 873 CG1 ILE A 58 13.534 -11.163 -6.497 1.00 32.10 C ATOM 874 CG2 ILE A 58 15.017 -12.599 -7.923 1.00 55.41 C ATOM 875 CD1 ILE A 58 14.176 -9.900 -7.027 1.00 22.32 C ATOM 0 H ILE A 58 13.850 -13.564 -3.949 1.00 61.22 H new ATOM 0 HA ILE A 58 12.868 -13.821 -6.702 1.00 11.24 H new ATOM 0 HB ILE A 58 15.296 -12.189 -5.848 1.00 45.24 H new ATOM 0 HG12 ILE A 58 12.644 -11.383 -7.086 1.00 32.10 H new ATOM 0 HG13 ILE A 58 13.204 -10.990 -5.473 1.00 32.10 H new ATOM 0 HG21 ILE A 58 15.543 -11.702 -8.251 1.00 55.41 H new ATOM 0 HG22 ILE A 58 15.708 -13.442 -7.912 1.00 55.41 H new ATOM 0 HG23 ILE A 58 14.198 -12.811 -8.610 1.00 55.41 H new ATOM 0 HD11 ILE A 58 13.460 -9.080 -6.978 1.00 22.32 H new ATOM 0 HD12 ILE A 58 15.050 -9.655 -6.423 1.00 22.32 H new ATOM 0 HD13 ILE A 58 14.482 -10.054 -8.062 1.00 22.32 H new ATOM 887 N PRO A 59 14.090 -16.034 -6.221 1.00 5.44 N ATOM 888 CA PRO A 59 14.867 -17.275 -6.284 1.00 32.51 C ATOM 889 C PRO A 59 15.659 -17.398 -7.581 1.00 70.50 C ATOM 890 O PRO A 59 15.764 -16.442 -8.348 1.00 41.54 O ATOM 891 CB PRO A 59 13.797 -18.367 -6.205 1.00 73.22 C ATOM 892 CG PRO A 59 12.559 -17.723 -6.728 1.00 2.14 C ATOM 893 CD PRO A 59 12.642 -16.277 -6.321 1.00 73.54 C ATOM 0 HA PRO A 59 15.612 -17.330 -5.490 1.00 32.51 H new ATOM 0 HB2 PRO A 59 14.074 -19.236 -6.802 1.00 73.22 H new ATOM 0 HB3 PRO A 59 13.660 -18.714 -5.181 1.00 73.22 H new ATOM 0 HG2 PRO A 59 12.496 -17.821 -7.812 1.00 2.14 H new ATOM 0 HG3 PRO A 59 11.668 -18.195 -6.313 1.00 2.14 H new ATOM 0 HD2 PRO A 59 12.175 -15.624 -7.059 1.00 73.54 H new ATOM 0 HD3 PRO A 59 12.138 -16.097 -5.372 1.00 73.54 H new ATOM 901 N ASP A 60 16.214 -18.582 -7.820 1.00 11.42 N ATOM 902 CA ASP A 60 16.996 -18.830 -9.026 1.00 34.04 C ATOM 903 C ASP A 60 16.109 -18.787 -10.266 1.00 42.54 C ATOM 904 O ASP A 60 16.535 -18.335 -11.329 1.00 21.01 O ATOM 905 CB ASP A 60 17.699 -20.185 -8.933 1.00 73.21 C ATOM 906 CG ASP A 60 18.911 -20.147 -8.024 1.00 23.40 C ATOM 907 OD1 ASP A 60 19.603 -19.108 -8.001 1.00 31.11 O ATOM 908 OD2 ASP A 60 19.169 -21.158 -7.336 1.00 43.41 O ATOM 0 H ASP A 60 16.137 -19.384 -7.195 1.00 11.42 H new ATOM 0 HA ASP A 60 17.747 -18.045 -9.111 1.00 34.04 H new ATOM 0 HB2 ASP A 60 16.995 -20.932 -8.565 1.00 73.21 H new ATOM 0 HB3 ASP A 60 18.006 -20.501 -9.930 1.00 73.21 H new ATOM 913 N GLU A 61 14.875 -19.260 -10.123 1.00 23.00 N ATOM 914 CA GLU A 61 13.930 -19.276 -11.233 1.00 63.54 C ATOM 915 C GLU A 61 13.571 -17.857 -11.663 1.00 33.01 C ATOM 916 O GLU A 61 13.526 -17.551 -12.854 1.00 31.11 O ATOM 917 CB GLU A 61 12.663 -20.039 -10.842 1.00 71.33 C ATOM 918 CG GLU A 61 12.921 -21.480 -10.435 1.00 71.21 C ATOM 919 CD GLU A 61 13.634 -22.272 -11.514 1.00 25.35 C ATOM 920 OE1 GLU A 61 12.963 -22.705 -12.473 1.00 73.04 O ATOM 921 OE2 GLU A 61 14.864 -22.460 -11.398 1.00 15.42 O ATOM 0 H GLU A 61 14.507 -19.637 -9.250 1.00 23.00 H new ATOM 0 HA GLU A 61 14.405 -19.782 -12.074 1.00 63.54 H new ATOM 0 HB2 GLU A 61 12.176 -19.519 -10.017 1.00 71.33 H new ATOM 0 HB3 GLU A 61 11.968 -20.026 -11.681 1.00 71.33 H new ATOM 0 HG2 GLU A 61 13.519 -21.495 -9.524 1.00 71.21 H new ATOM 0 HG3 GLU A 61 11.972 -21.963 -10.202 1.00 71.21 H new ATOM 928 N GLU A 62 13.315 -16.995 -10.683 1.00 71.53 N ATOM 929 CA GLU A 62 12.958 -15.609 -10.960 1.00 72.12 C ATOM 930 C GLU A 62 14.202 -14.773 -11.246 1.00 62.40 C ATOM 931 O GLU A 62 14.126 -13.726 -11.888 1.00 74.41 O ATOM 932 CB GLU A 62 12.189 -15.012 -9.780 1.00 10.32 C ATOM 933 CG GLU A 62 10.866 -15.705 -9.502 1.00 14.30 C ATOM 934 CD GLU A 62 9.803 -15.367 -10.529 1.00 50.55 C ATOM 935 OE1 GLU A 62 10.161 -14.832 -11.600 1.00 15.23 O ATOM 936 OE2 GLU A 62 8.613 -15.637 -10.263 1.00 23.24 O ATOM 0 H GLU A 62 13.348 -17.232 -9.692 1.00 71.53 H new ATOM 0 HA GLU A 62 12.321 -15.595 -11.844 1.00 72.12 H new ATOM 0 HB2 GLU A 62 12.812 -15.065 -8.887 1.00 10.32 H new ATOM 0 HB3 GLU A 62 12.002 -13.956 -9.976 1.00 10.32 H new ATOM 0 HG2 GLU A 62 11.021 -16.784 -9.487 1.00 14.30 H new ATOM 0 HG3 GLU A 62 10.512 -15.420 -8.511 1.00 14.30 H new ATOM 943 N ALA A 63 15.348 -15.244 -10.764 1.00 34.33 N ATOM 944 CA ALA A 63 16.609 -14.542 -10.968 1.00 74.30 C ATOM 945 C ALA A 63 17.045 -14.612 -12.427 1.00 43.44 C ATOM 946 O ALA A 63 17.436 -13.604 -13.016 1.00 33.01 O ATOM 947 CB ALA A 63 17.687 -15.121 -10.064 1.00 42.02 C ATOM 0 H ALA A 63 15.429 -16.109 -10.229 1.00 34.33 H new ATOM 0 HA ALA A 63 16.460 -13.493 -10.711 1.00 74.30 H new ATOM 0 HB1 ALA A 63 18.623 -14.587 -10.227 1.00 42.02 H new ATOM 0 HB2 ALA A 63 17.385 -15.014 -9.022 1.00 42.02 H new ATOM 0 HB3 ALA A 63 17.826 -16.177 -10.294 1.00 42.02 H new ATOM 953 N GLU A 64 16.977 -15.807 -13.005 1.00 21.23 N ATOM 954 CA GLU A 64 17.367 -16.007 -14.395 1.00 45.44 C ATOM 955 C GLU A 64 16.655 -15.013 -15.308 1.00 43.43 C ATOM 956 O GLU A 64 17.179 -14.626 -16.353 1.00 60.14 O ATOM 957 CB GLU A 64 17.052 -17.437 -14.837 1.00 22.43 C ATOM 958 CG GLU A 64 15.576 -17.682 -15.101 1.00 11.50 C ATOM 959 CD GLU A 64 15.141 -19.086 -14.730 1.00 64.23 C ATOM 960 OE1 GLU A 64 16.023 -19.932 -14.472 1.00 51.12 O ATOM 961 OE2 GLU A 64 13.919 -19.339 -14.698 1.00 73.11 O ATOM 0 H GLU A 64 16.655 -16.651 -12.532 1.00 21.23 H new ATOM 0 HA GLU A 64 18.441 -15.840 -14.471 1.00 45.44 H new ATOM 0 HB2 GLU A 64 17.616 -17.661 -15.742 1.00 22.43 H new ATOM 0 HB3 GLU A 64 17.395 -18.130 -14.068 1.00 22.43 H new ATOM 0 HG2 GLU A 64 14.985 -16.962 -14.535 1.00 11.50 H new ATOM 0 HG3 GLU A 64 15.366 -17.508 -16.156 1.00 11.50 H new ATOM 968 N LYS A 65 15.457 -14.603 -14.906 1.00 42.42 N ATOM 969 CA LYS A 65 14.671 -13.653 -15.686 1.00 24.34 C ATOM 970 C LYS A 65 15.252 -12.247 -15.575 1.00 53.14 C ATOM 971 O LYS A 65 15.445 -11.565 -16.582 1.00 43.12 O ATOM 972 CB LYS A 65 13.216 -13.654 -15.212 1.00 61.53 C ATOM 973 CG LYS A 65 12.648 -15.046 -14.997 1.00 32.43 C ATOM 974 CD LYS A 65 11.244 -15.170 -15.566 1.00 65.22 C ATOM 975 CE LYS A 65 10.783 -16.619 -15.601 1.00 33.03 C ATOM 976 NZ LYS A 65 10.283 -17.074 -14.274 1.00 11.44 N ATOM 0 H LYS A 65 15.008 -14.914 -14.044 1.00 42.42 H new ATOM 0 HA LYS A 65 14.707 -13.961 -16.731 1.00 24.34 H new ATOM 0 HB2 LYS A 65 13.146 -13.094 -14.279 1.00 61.53 H new ATOM 0 HB3 LYS A 65 12.603 -13.130 -15.945 1.00 61.53 H new ATOM 0 HG2 LYS A 65 13.299 -15.782 -15.469 1.00 32.43 H new ATOM 0 HG3 LYS A 65 12.631 -15.272 -13.931 1.00 32.43 H new ATOM 0 HD2 LYS A 65 10.553 -14.582 -14.963 1.00 65.22 H new ATOM 0 HD3 LYS A 65 11.221 -14.755 -16.574 1.00 65.22 H new ATOM 0 HE2 LYS A 65 9.994 -16.731 -16.344 1.00 33.03 H new ATOM 0 HE3 LYS A 65 11.610 -17.256 -15.915 1.00 33.03 H new ATOM 0 HZ1 LYS A 65 9.978 -18.066 -14.339 1.00 11.44 H new ATOM 0 HZ2 LYS A 65 11.043 -16.991 -13.569 1.00 11.44 H new ATOM 0 HZ3 LYS A 65 9.478 -16.483 -13.985 1.00 11.44 H new ATOM 990 N ILE A 66 15.528 -11.820 -14.348 1.00 20.32 N ATOM 991 CA ILE A 66 16.089 -10.496 -14.108 1.00 34.42 C ATOM 992 C ILE A 66 17.461 -10.355 -14.756 1.00 45.13 C ATOM 993 O ILE A 66 18.424 -11.005 -14.348 1.00 22.14 O ATOM 994 CB ILE A 66 16.212 -10.202 -12.601 1.00 63.11 C ATOM 995 CG1 ILE A 66 14.842 -10.293 -11.927 1.00 74.43 C ATOM 996 CG2 ILE A 66 16.827 -8.829 -12.379 1.00 4.55 C ATOM 997 CD1 ILE A 66 13.817 -9.347 -12.512 1.00 14.02 C ATOM 0 H ILE A 66 15.372 -12.371 -13.504 1.00 20.32 H new ATOM 0 HA ILE A 66 15.403 -9.776 -14.555 1.00 34.42 H new ATOM 0 HB ILE A 66 16.866 -10.949 -12.152 1.00 63.11 H new ATOM 0 HG12 ILE A 66 14.472 -11.315 -12.012 1.00 74.43 H new ATOM 0 HG13 ILE A 66 14.954 -10.082 -10.864 1.00 74.43 H new ATOM 0 HG21 ILE A 66 16.908 -8.635 -11.309 1.00 4.55 H new ATOM 0 HG22 ILE A 66 17.819 -8.798 -12.829 1.00 4.55 H new ATOM 0 HG23 ILE A 66 16.196 -8.069 -12.839 1.00 4.55 H new ATOM 0 HD11 ILE A 66 12.870 -9.466 -11.986 1.00 14.02 H new ATOM 0 HD12 ILE A 66 14.166 -8.320 -12.403 1.00 14.02 H new ATOM 0 HD13 ILE A 66 13.676 -9.572 -13.569 1.00 14.02 H new ATOM 1009 N THR A 67 17.546 -9.499 -15.770 1.00 12.31 N ATOM 1010 CA THR A 67 18.801 -9.270 -16.475 1.00 74.42 C ATOM 1011 C THR A 67 19.104 -7.781 -16.590 1.00 53.11 C ATOM 1012 O THR A 67 20.255 -7.359 -16.471 1.00 34.32 O ATOM 1013 CB THR A 67 18.772 -9.887 -17.886 1.00 61.33 C ATOM 1014 OG1 THR A 67 17.601 -9.453 -18.587 1.00 62.31 O ATOM 1015 CG2 THR A 67 18.792 -11.407 -17.813 1.00 53.42 C ATOM 0 H THR A 67 16.760 -8.953 -16.121 1.00 12.31 H new ATOM 0 HA THR A 67 19.584 -9.753 -15.891 1.00 74.42 H new ATOM 0 HB THR A 67 19.660 -9.553 -18.422 1.00 61.33 H new ATOM 0 HG1 THR A 67 17.591 -9.848 -19.484 1.00 62.31 H new ATOM 0 HG21 THR A 67 18.771 -11.820 -18.822 1.00 53.42 H new ATOM 0 HG22 THR A 67 19.699 -11.735 -17.305 1.00 53.42 H new ATOM 0 HG23 THR A 67 17.920 -11.756 -17.260 1.00 53.42 H new ATOM 1023 N THR A 68 18.063 -6.986 -16.822 1.00 64.10 N ATOM 1024 CA THR A 68 18.219 -5.543 -16.953 1.00 54.14 C ATOM 1025 C THR A 68 17.467 -4.806 -15.851 1.00 31.44 C ATOM 1026 O THR A 68 16.702 -5.409 -15.097 1.00 62.22 O ATOM 1027 CB THR A 68 17.716 -5.046 -18.322 1.00 35.20 C ATOM 1028 OG1 THR A 68 16.284 -5.055 -18.350 1.00 71.34 O ATOM 1029 CG2 THR A 68 18.256 -5.917 -19.446 1.00 33.51 C ATOM 0 H THR A 68 17.104 -7.318 -16.923 1.00 64.10 H new ATOM 0 HA THR A 68 19.285 -5.331 -16.866 1.00 54.14 H new ATOM 0 HB THR A 68 18.076 -4.028 -18.469 1.00 35.20 H new ATOM 0 HG1 THR A 68 15.972 -4.736 -19.223 1.00 71.34 H new ATOM 0 HG21 THR A 68 17.887 -5.547 -20.403 1.00 33.51 H new ATOM 0 HG22 THR A 68 19.346 -5.885 -19.440 1.00 33.51 H new ATOM 0 HG23 THR A 68 17.923 -6.945 -19.302 1.00 33.51 H new ATOM 1037 N VAL A 69 17.689 -3.499 -15.761 1.00 55.21 N ATOM 1038 CA VAL A 69 17.030 -2.679 -14.751 1.00 22.22 C ATOM 1039 C VAL A 69 15.513 -2.783 -14.862 1.00 23.12 C ATOM 1040 O VAL A 69 14.824 -3.023 -13.871 1.00 2.22 O ATOM 1041 CB VAL A 69 17.443 -1.200 -14.872 1.00 33.21 C ATOM 1042 CG1 VAL A 69 16.886 -0.393 -13.709 1.00 33.30 C ATOM 1043 CG2 VAL A 69 18.957 -1.074 -14.942 1.00 41.13 C ATOM 0 H VAL A 69 18.320 -2.985 -16.375 1.00 55.21 H new ATOM 0 HA VAL A 69 17.347 -3.059 -13.779 1.00 22.22 H new ATOM 0 HB VAL A 69 17.025 -0.798 -15.795 1.00 33.21 H new ATOM 0 HG11 VAL A 69 17.188 0.649 -13.812 1.00 33.30 H new ATOM 0 HG12 VAL A 69 15.798 -0.457 -13.710 1.00 33.30 H new ATOM 0 HG13 VAL A 69 17.272 -0.792 -12.771 1.00 33.30 H new ATOM 0 HG21 VAL A 69 19.231 -0.022 -15.027 1.00 41.13 H new ATOM 0 HG22 VAL A 69 19.399 -1.492 -14.038 1.00 41.13 H new ATOM 0 HG23 VAL A 69 19.327 -1.617 -15.811 1.00 41.13 H new ATOM 1053 N GLN A 70 15.000 -2.602 -16.074 1.00 44.44 N ATOM 1054 CA GLN A 70 13.564 -2.675 -16.315 1.00 1.14 C ATOM 1055 C GLN A 70 12.981 -3.961 -15.739 1.00 32.21 C ATOM 1056 O GLN A 70 11.913 -3.950 -15.127 1.00 25.55 O ATOM 1057 CB GLN A 70 13.272 -2.595 -17.814 1.00 14.31 C ATOM 1058 CG GLN A 70 11.810 -2.328 -18.135 1.00 50.42 C ATOM 1059 CD GLN A 70 11.387 -0.912 -17.796 1.00 0.05 C ATOM 1060 OE1 GLN A 70 11.417 -0.022 -18.646 1.00 12.11 O ATOM 1061 NE2 GLN A 70 10.990 -0.696 -16.547 1.00 54.00 N ATOM 0 H GLN A 70 15.557 -2.404 -16.905 1.00 44.44 H new ATOM 0 HA GLN A 70 13.093 -1.828 -15.815 1.00 1.14 H new ATOM 0 HB2 GLN A 70 13.882 -1.805 -18.253 1.00 14.31 H new ATOM 0 HB3 GLN A 70 13.574 -3.530 -18.285 1.00 14.31 H new ATOM 0 HG2 GLN A 70 11.635 -2.511 -19.195 1.00 50.42 H new ATOM 0 HG3 GLN A 70 11.186 -3.031 -17.583 1.00 50.42 H new ATOM 0 HE21 GLN A 70 10.981 -1.463 -15.875 1.00 54.00 H new ATOM 0 HE22 GLN A 70 10.694 0.237 -16.260 1.00 54.00 H new ATOM 1070 N ALA A 71 13.689 -5.068 -15.940 1.00 55.12 N ATOM 1071 CA ALA A 71 13.242 -6.362 -15.440 1.00 13.14 C ATOM 1072 C ALA A 71 13.169 -6.366 -13.916 1.00 55.15 C ATOM 1073 O ALA A 71 12.205 -6.862 -13.333 1.00 42.03 O ATOM 1074 CB ALA A 71 14.168 -7.465 -15.928 1.00 63.43 C ATOM 0 H ALA A 71 14.574 -5.094 -16.446 1.00 55.12 H new ATOM 0 HA ALA A 71 12.240 -6.547 -15.827 1.00 13.14 H new ATOM 0 HB1 ALA A 71 13.822 -8.426 -15.547 1.00 63.43 H new ATOM 0 HB2 ALA A 71 14.167 -7.485 -17.018 1.00 63.43 H new ATOM 0 HB3 ALA A 71 15.180 -7.276 -15.570 1.00 63.43 H new ATOM 1080 N ALA A 72 14.193 -5.810 -13.278 1.00 62.30 N ATOM 1081 CA ALA A 72 14.244 -5.749 -11.823 1.00 11.04 C ATOM 1082 C ALA A 72 13.176 -4.808 -11.275 1.00 72.23 C ATOM 1083 O ALA A 72 12.325 -5.214 -10.483 1.00 22.02 O ATOM 1084 CB ALA A 72 15.625 -5.308 -11.361 1.00 20.33 C ATOM 0 H ALA A 72 14.999 -5.395 -13.746 1.00 62.30 H new ATOM 0 HA ALA A 72 14.045 -6.748 -11.435 1.00 11.04 H new ATOM 0 HB1 ALA A 72 15.648 -5.267 -10.272 1.00 20.33 H new ATOM 0 HB2 ALA A 72 16.371 -6.020 -11.713 1.00 20.33 H new ATOM 0 HB3 ALA A 72 15.846 -4.321 -11.766 1.00 20.33 H new ATOM 1090 N ILE A 73 13.226 -3.551 -11.702 1.00 44.02 N ATOM 1091 CA ILE A 73 12.262 -2.553 -11.255 1.00 25.44 C ATOM 1092 C ILE A 73 10.832 -3.044 -11.451 1.00 41.03 C ATOM 1093 O ILE A 73 9.941 -2.724 -10.664 1.00 43.43 O ATOM 1094 CB ILE A 73 12.443 -1.220 -12.003 1.00 45.15 C ATOM 1095 CG1 ILE A 73 11.582 -0.129 -11.363 1.00 61.33 C ATOM 1096 CG2 ILE A 73 12.091 -1.386 -13.474 1.00 74.10 C ATOM 1097 CD1 ILE A 73 12.261 0.580 -10.213 1.00 25.32 C ATOM 0 H ILE A 73 13.924 -3.199 -12.357 1.00 44.02 H new ATOM 0 HA ILE A 73 12.445 -2.391 -10.193 1.00 25.44 H new ATOM 0 HB ILE A 73 13.488 -0.919 -11.931 1.00 45.15 H new ATOM 0 HG12 ILE A 73 11.314 0.604 -12.124 1.00 61.33 H new ATOM 0 HG13 ILE A 73 10.652 -0.573 -11.007 1.00 61.33 H new ATOM 0 HG21 ILE A 73 12.224 -0.435 -13.990 1.00 74.10 H new ATOM 0 HG22 ILE A 73 12.743 -2.136 -13.922 1.00 74.10 H new ATOM 0 HG23 ILE A 73 11.053 -1.706 -13.566 1.00 74.10 H new ATOM 0 HD11 ILE A 73 11.592 1.340 -9.808 1.00 25.32 H new ATOM 0 HD12 ILE A 73 12.504 -0.142 -9.433 1.00 25.32 H new ATOM 0 HD13 ILE A 73 13.176 1.054 -10.567 1.00 25.32 H new ATOM 1109 N ASP A 74 10.620 -3.824 -12.505 1.00 70.23 N ATOM 1110 CA ASP A 74 9.298 -4.362 -12.805 1.00 20.35 C ATOM 1111 C ASP A 74 8.905 -5.433 -11.792 1.00 23.43 C ATOM 1112 O ASP A 74 7.790 -5.430 -11.270 1.00 51.04 O ATOM 1113 CB ASP A 74 9.269 -4.945 -14.218 1.00 41.25 C ATOM 1114 CG ASP A 74 7.872 -5.345 -14.651 1.00 64.22 C ATOM 1115 OD1 ASP A 74 7.035 -4.443 -14.861 1.00 2.21 O ATOM 1116 OD2 ASP A 74 7.616 -6.561 -14.779 1.00 42.14 O ATOM 0 H ASP A 74 11.347 -4.098 -13.166 1.00 70.23 H new ATOM 0 HA ASP A 74 8.578 -3.546 -12.743 1.00 20.35 H new ATOM 0 HB2 ASP A 74 9.667 -4.211 -14.919 1.00 41.25 H new ATOM 0 HB3 ASP A 74 9.923 -5.816 -14.262 1.00 41.25 H new ATOM 1121 N TYR A 75 9.828 -6.349 -11.519 1.00 4.33 N ATOM 1122 CA TYR A 75 9.578 -7.428 -10.571 1.00 75.11 C ATOM 1123 C TYR A 75 9.150 -6.874 -9.215 1.00 73.43 C ATOM 1124 O TYR A 75 8.093 -7.228 -8.692 1.00 60.43 O ATOM 1125 CB TYR A 75 10.828 -8.294 -10.409 1.00 41.13 C ATOM 1126 CG TYR A 75 10.572 -9.599 -9.690 1.00 42.01 C ATOM 1127 CD1 TYR A 75 10.385 -9.632 -8.314 1.00 11.32 C ATOM 1128 CD2 TYR A 75 10.517 -10.800 -10.387 1.00 53.44 C ATOM 1129 CE1 TYR A 75 10.152 -10.822 -7.653 1.00 14.13 C ATOM 1130 CE2 TYR A 75 10.282 -11.995 -9.735 1.00 4.53 C ATOM 1131 CZ TYR A 75 10.101 -12.001 -8.367 1.00 40.44 C ATOM 1132 OH TYR A 75 9.867 -13.188 -7.713 1.00 25.22 O ATOM 0 H TYR A 75 10.756 -6.366 -11.941 1.00 4.33 H new ATOM 0 HA TYR A 75 8.768 -8.042 -10.965 1.00 75.11 H new ATOM 0 HB2 TYR A 75 11.242 -8.507 -11.394 1.00 41.13 H new ATOM 0 HB3 TYR A 75 11.582 -7.729 -9.861 1.00 41.13 H new ATOM 0 HD1 TYR A 75 10.422 -8.711 -7.751 1.00 11.32 H new ATOM 0 HD2 TYR A 75 10.661 -10.799 -11.457 1.00 53.44 H new ATOM 0 HE1 TYR A 75 10.010 -10.829 -6.582 1.00 14.13 H new ATOM 0 HE2 TYR A 75 10.240 -12.919 -10.293 1.00 4.53 H new ATOM 0 HH TYR A 75 10.125 -13.099 -6.772 1.00 25.22 H new ATOM 1142 N VAL A 76 9.979 -6.002 -8.651 1.00 61.03 N ATOM 1143 CA VAL A 76 9.688 -5.397 -7.357 1.00 53.44 C ATOM 1144 C VAL A 76 8.414 -4.560 -7.416 1.00 64.22 C ATOM 1145 O VAL A 76 7.623 -4.549 -6.474 1.00 43.23 O ATOM 1146 CB VAL A 76 10.851 -4.508 -6.879 1.00 0.31 C ATOM 1147 CG1 VAL A 76 12.081 -5.352 -6.581 1.00 13.03 C ATOM 1148 CG2 VAL A 76 11.166 -3.440 -7.915 1.00 40.42 C ATOM 0 H VAL A 76 10.858 -5.699 -9.070 1.00 61.03 H new ATOM 0 HA VAL A 76 9.550 -6.214 -6.649 1.00 53.44 H new ATOM 0 HB VAL A 76 10.549 -4.010 -5.957 1.00 0.31 H new ATOM 0 HG11 VAL A 76 12.892 -4.707 -6.245 1.00 13.03 H new ATOM 0 HG12 VAL A 76 11.845 -6.075 -5.800 1.00 13.03 H new ATOM 0 HG13 VAL A 76 12.388 -5.880 -7.484 1.00 13.03 H new ATOM 0 HG21 VAL A 76 11.990 -2.821 -7.560 1.00 40.42 H new ATOM 0 HG22 VAL A 76 11.448 -3.916 -8.854 1.00 40.42 H new ATOM 0 HG23 VAL A 76 10.286 -2.816 -8.074 1.00 40.42 H new ATOM 1158 N ASN A 77 8.223 -3.861 -8.530 1.00 62.13 N ATOM 1159 CA ASN A 77 7.045 -3.021 -8.713 1.00 1.14 C ATOM 1160 C ASN A 77 5.778 -3.868 -8.784 1.00 64.31 C ATOM 1161 O ASN A 77 4.683 -3.392 -8.487 1.00 50.23 O ATOM 1162 CB ASN A 77 7.183 -2.182 -9.985 1.00 3.14 C ATOM 1163 CG ASN A 77 6.006 -1.249 -10.193 1.00 31.22 C ATOM 1164 OD1 ASN A 77 4.904 -1.687 -10.524 1.00 40.14 O ATOM 1165 ND2 ASN A 77 6.235 0.044 -9.999 1.00 14.54 N ATOM 0 H ASN A 77 8.869 -3.860 -9.320 1.00 62.13 H new ATOM 0 HA ASN A 77 6.968 -2.355 -7.853 1.00 1.14 H new ATOM 0 HB2 ASN A 77 8.102 -1.598 -9.934 1.00 3.14 H new ATOM 0 HB3 ASN A 77 7.274 -2.844 -10.846 1.00 3.14 H new ATOM 0 HD21 ASN A 77 5.481 0.720 -10.124 1.00 14.54 H new ATOM 0 HD22 ASN A 77 7.165 0.362 -9.725 1.00 14.54 H new ATOM 1172 N SER A 78 5.937 -5.127 -9.179 1.00 72.44 N ATOM 1173 CA SER A 78 4.806 -6.041 -9.293 1.00 51.11 C ATOM 1174 C SER A 78 4.632 -6.852 -8.013 1.00 22.33 C ATOM 1175 O SER A 78 3.526 -7.280 -7.680 1.00 42.22 O ATOM 1176 CB SER A 78 5.001 -6.981 -10.484 1.00 35.51 C ATOM 1177 OG SER A 78 4.213 -8.151 -10.344 1.00 23.43 O ATOM 0 H SER A 78 6.838 -5.538 -9.425 1.00 72.44 H new ATOM 0 HA SER A 78 3.905 -5.448 -9.451 1.00 51.11 H new ATOM 0 HB2 SER A 78 4.732 -6.466 -11.406 1.00 35.51 H new ATOM 0 HB3 SER A 78 6.053 -7.255 -10.567 1.00 35.51 H new ATOM 0 HG SER A 78 4.354 -8.735 -11.118 1.00 23.43 H new ATOM 1183 N HIS A 79 5.733 -7.061 -7.298 1.00 2.33 N ATOM 1184 CA HIS A 79 5.704 -7.820 -6.053 1.00 31.41 C ATOM 1185 C HIS A 79 5.435 -6.904 -4.863 1.00 41.22 C ATOM 1186 O HIS A 79 6.240 -6.824 -3.936 1.00 44.51 O ATOM 1187 CB HIS A 79 7.026 -8.562 -5.852 1.00 0.31 C ATOM 1188 CG HIS A 79 7.081 -9.887 -6.547 1.00 62.12 C ATOM 1189 ND1 HIS A 79 6.870 -10.036 -7.902 1.00 10.14 N ATOM 1190 CD2 HIS A 79 7.327 -11.129 -6.068 1.00 4.33 C ATOM 1191 CE1 HIS A 79 6.982 -11.312 -8.225 1.00 0.21 C ATOM 1192 NE2 HIS A 79 7.260 -11.996 -7.130 1.00 32.30 N ATOM 0 H HIS A 79 6.656 -6.715 -7.560 1.00 2.33 H new ATOM 0 HA HIS A 79 4.894 -8.547 -6.119 1.00 31.41 H new ATOM 0 HB2 HIS A 79 7.842 -7.937 -6.214 1.00 0.31 H new ATOM 0 HB3 HIS A 79 7.189 -8.714 -4.785 1.00 0.31 H new ATOM 0 HD2 HIS A 79 7.537 -11.389 -5.041 1.00 4.33 H new ATOM 0 HE1 HIS A 79 6.866 -11.726 -9.216 1.00 0.21 H new ATOM 0 HE2 HIS A 79 7.402 -13.005 -7.081 1.00 32.30 H new ATOM 1200 N GLN A 80 4.299 -6.215 -4.898 1.00 41.20 N ATOM 1201 CA GLN A 80 3.926 -5.303 -3.823 1.00 50.01 C ATOM 1202 C GLN A 80 3.022 -5.997 -2.810 1.00 15.11 C ATOM 1203 O GLN A 80 2.000 -6.581 -3.172 1.00 34.20 O ATOM 1204 CB GLN A 80 3.222 -4.070 -4.393 1.00 30.23 C ATOM 1205 CG GLN A 80 4.163 -3.099 -5.088 1.00 33.31 C ATOM 1206 CD GLN A 80 3.486 -1.793 -5.455 1.00 63.22 C ATOM 1207 OE1 GLN A 80 2.525 -1.375 -4.809 1.00 21.31 O ATOM 1208 NE2 GLN A 80 3.986 -1.140 -6.498 1.00 21.22 N ATOM 0 H GLN A 80 3.621 -6.271 -5.658 1.00 41.20 H new ATOM 0 HA GLN A 80 4.837 -4.989 -3.314 1.00 50.01 H new ATOM 0 HB2 GLN A 80 2.459 -4.393 -5.101 1.00 30.23 H new ATOM 0 HB3 GLN A 80 2.708 -3.549 -3.585 1.00 30.23 H new ATOM 0 HG2 GLN A 80 5.013 -2.893 -4.437 1.00 33.31 H new ATOM 0 HG3 GLN A 80 4.559 -3.565 -5.990 1.00 33.31 H new ATOM 0 HE21 GLN A 80 4.784 -1.523 -7.005 1.00 21.22 H new ATOM 0 HE22 GLN A 80 3.572 -0.255 -6.792 1.00 21.22 H new TER 1217 GLN A 80