USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 724 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 81 LYS NZ :NH3+ -162:sc= 0 (180deg=0) USER MOD Set 1.2: A 83 MET CE :methyl 142:sc= 0 (180deg=-0.278) USER MOD Set 2.1: A 44 GLN : amide:sc=-0.00486 X(o=-0.38,f=-0.74) USER MOD Set 2.2: A 47 HIS :FLIP no HE2:sc= -0.371 F(o=-1.9,f=-0.38) USER MOD Set 3.1: A 38 THR OG1 : rot -170:sc= 0.397 USER MOD Set 3.2: A 40 SER OG : rot -66:sc= -0.0122 USER MOD Set 4.1: A 27 THR OG1 : rot 126:sc= 0.171 USER MOD Set 4.2: A 29 HIS : no HD1:sc= 0.131 X(o=0.3,f=0.035) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.107 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 58:sc= 0.358 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.957 K(o=0.96,f=-0.38) USER MOD Single : A 26 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.041) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 108:sc= 1 USER MOD Single : A 43 LYS NZ :NH3+ -117:sc= -0.461 (180deg=-0.585) USER MOD Single : A 45 LYS NZ :NH3+ -128:sc= 0.0574 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -57:sc= -1.23 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -1.85 K(o=-1.9,f=-8.9!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 149:sc= -0.226 (180deg=-1.65) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.57 USER MOD Single : A 75 LYS NZ :NH3+ 162:sc=-0.00729 (180deg=-0.231) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.225 -5.267 -40.345 1.00 0.00 N ATOM 2 CA GLY A 1 12.495 -4.153 -39.451 1.00 0.00 C ATOM 3 C GLY A 1 11.200 -3.612 -38.843 1.00 0.00 C ATOM 4 O GLY A 1 10.109 -3.921 -39.320 1.00 0.00 O ATOM 0 H1 GLY A 1 12.604 -6.143 -39.932 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.198 -5.364 -40.479 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.679 -5.092 -41.264 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.168 -4.475 -38.656 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.004 -3.359 -39.997 1.00 0.00 H new ATOM 8 N SER A 2 11.363 -2.814 -37.798 1.00 0.00 N ATOM 9 CA SER A 2 10.220 -2.226 -37.120 1.00 0.00 C ATOM 10 C SER A 2 10.683 -1.098 -36.196 1.00 0.00 C ATOM 11 O SER A 2 11.878 -0.950 -35.942 1.00 0.00 O ATOM 12 CB SER A 2 9.450 -3.282 -36.323 1.00 0.00 C ATOM 13 OG SER A 2 8.065 -2.967 -36.220 1.00 0.00 O ATOM 0 H SER A 2 12.269 -2.561 -37.404 1.00 0.00 H new ATOM 0 HA SER A 2 9.548 -1.817 -37.874 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.566 -4.254 -36.802 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.878 -3.366 -35.324 1.00 0.00 H new ATOM 0 HG SER A 2 7.608 -3.665 -35.706 1.00 0.00 H new ATOM 19 N SER A 3 9.714 -0.332 -35.718 1.00 0.00 N ATOM 20 CA SER A 3 10.007 0.778 -34.828 1.00 0.00 C ATOM 21 C SER A 3 8.705 1.437 -34.366 1.00 0.00 C ATOM 22 O SER A 3 7.654 1.232 -34.970 1.00 0.00 O ATOM 23 CB SER A 3 10.910 1.808 -35.510 1.00 0.00 C ATOM 24 OG SER A 3 12.252 1.738 -35.036 1.00 0.00 O ATOM 0 H SER A 3 8.724 -0.458 -35.930 1.00 0.00 H new ATOM 0 HA SER A 3 10.538 0.388 -33.959 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.897 1.644 -36.588 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.515 2.809 -35.335 1.00 0.00 H new ATOM 0 HG SER A 3 12.603 0.835 -35.181 1.00 0.00 H new ATOM 30 N GLY A 4 8.819 2.215 -33.300 1.00 0.00 N ATOM 31 CA GLY A 4 7.664 2.905 -32.751 1.00 0.00 C ATOM 32 C GLY A 4 7.932 3.367 -31.317 1.00 0.00 C ATOM 33 O GLY A 4 8.937 4.025 -31.051 1.00 0.00 O ATOM 0 H GLY A 4 9.693 2.383 -32.802 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.420 3.765 -33.374 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.798 2.243 -32.768 1.00 0.00 H new ATOM 37 N SER A 5 7.016 3.006 -30.431 1.00 0.00 N ATOM 38 CA SER A 5 7.141 3.375 -29.032 1.00 0.00 C ATOM 39 C SER A 5 7.082 4.897 -28.885 1.00 0.00 C ATOM 40 O SER A 5 7.899 5.612 -29.463 1.00 0.00 O ATOM 41 CB SER A 5 8.441 2.834 -28.433 1.00 0.00 C ATOM 42 OG SER A 5 8.517 1.414 -28.516 1.00 0.00 O ATOM 0 H SER A 5 6.183 2.461 -30.655 1.00 0.00 H new ATOM 0 HA SER A 5 6.309 2.931 -28.486 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.291 3.274 -28.955 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.514 3.141 -27.390 1.00 0.00 H new ATOM 0 HG SER A 5 9.362 1.108 -28.125 1.00 0.00 H new ATOM 48 N SER A 6 6.108 5.347 -28.108 1.00 0.00 N ATOM 49 CA SER A 6 5.931 6.771 -27.878 1.00 0.00 C ATOM 50 C SER A 6 4.927 6.998 -26.746 1.00 0.00 C ATOM 51 O SER A 6 4.091 6.138 -26.472 1.00 0.00 O ATOM 52 CB SER A 6 5.465 7.481 -29.151 1.00 0.00 C ATOM 53 OG SER A 6 5.511 8.899 -29.018 1.00 0.00 O ATOM 0 H SER A 6 5.433 4.751 -27.630 1.00 0.00 H new ATOM 0 HA SER A 6 6.894 7.193 -27.591 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.093 7.175 -29.988 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.447 7.172 -29.387 1.00 0.00 H new ATOM 0 HG SER A 6 5.208 9.316 -29.852 1.00 0.00 H new ATOM 59 N GLY A 7 5.043 8.159 -26.119 1.00 0.00 N ATOM 60 CA GLY A 7 4.156 8.510 -25.023 1.00 0.00 C ATOM 61 C GLY A 7 4.952 8.926 -23.785 1.00 0.00 C ATOM 62 O GLY A 7 5.865 8.218 -23.363 1.00 0.00 O ATOM 0 H GLY A 7 5.738 8.869 -26.349 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.500 9.325 -25.328 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.518 7.660 -24.781 1.00 0.00 H new ATOM 66 N ASP A 8 4.577 10.072 -23.237 1.00 0.00 N ATOM 67 CA ASP A 8 5.245 10.591 -22.055 1.00 0.00 C ATOM 68 C ASP A 8 4.543 11.872 -21.599 1.00 0.00 C ATOM 69 O ASP A 8 4.174 12.708 -22.422 1.00 0.00 O ATOM 70 CB ASP A 8 6.706 10.933 -22.354 1.00 0.00 C ATOM 71 CG ASP A 8 7.578 11.179 -21.121 1.00 0.00 C ATOM 72 OD1 ASP A 8 7.757 10.211 -20.350 1.00 0.00 O ATOM 73 OD2 ASP A 8 8.045 12.329 -20.977 1.00 0.00 O ATOM 0 H ASP A 8 3.819 10.656 -23.589 1.00 0.00 H new ATOM 0 HA ASP A 8 5.205 9.825 -21.281 1.00 0.00 H new ATOM 0 HB2 ASP A 8 7.143 10.119 -22.933 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.734 11.822 -22.983 1.00 0.00 H new ATOM 78 N ALA A 9 4.381 11.985 -20.289 1.00 0.00 N ATOM 79 CA ALA A 9 3.731 13.150 -19.714 1.00 0.00 C ATOM 80 C ALA A 9 4.153 13.294 -18.250 1.00 0.00 C ATOM 81 O ALA A 9 4.447 12.302 -17.585 1.00 0.00 O ATOM 82 CB ALA A 9 2.215 13.019 -19.873 1.00 0.00 C ATOM 0 H ALA A 9 4.689 11.289 -19.610 1.00 0.00 H new ATOM 0 HA ALA A 9 4.037 14.057 -20.236 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.727 13.893 -19.442 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.965 12.949 -20.932 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.872 12.121 -19.359 1.00 0.00 H new ATOM 88 N GLY A 10 4.170 14.537 -17.792 1.00 0.00 N ATOM 89 CA GLY A 10 4.552 14.823 -16.419 1.00 0.00 C ATOM 90 C GLY A 10 5.398 16.096 -16.340 1.00 0.00 C ATOM 91 O GLY A 10 5.879 16.591 -17.358 1.00 0.00 O ATOM 0 H GLY A 10 3.926 15.357 -18.347 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.658 14.937 -15.805 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.114 13.983 -16.011 1.00 0.00 H new ATOM 95 N GLY A 11 5.554 16.589 -15.120 1.00 0.00 N ATOM 96 CA GLY A 11 6.333 17.794 -14.894 1.00 0.00 C ATOM 97 C GLY A 11 6.246 18.237 -13.432 1.00 0.00 C ATOM 98 O GLY A 11 5.834 17.464 -12.569 1.00 0.00 O ATOM 0 H GLY A 11 5.154 16.176 -14.278 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.374 17.614 -15.162 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.971 18.592 -15.542 1.00 0.00 H new ATOM 102 N GLY A 12 6.641 19.481 -13.199 1.00 0.00 N ATOM 103 CA GLY A 12 6.612 20.036 -11.857 1.00 0.00 C ATOM 104 C GLY A 12 7.424 19.173 -10.889 1.00 0.00 C ATOM 105 O GLY A 12 8.459 18.622 -11.261 1.00 0.00 O ATOM 0 H GLY A 12 6.983 20.119 -13.917 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.013 21.050 -11.870 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.581 20.105 -11.511 1.00 0.00 H new ATOM 109 N VAL A 13 6.924 19.082 -9.666 1.00 0.00 N ATOM 110 CA VAL A 13 7.589 18.296 -8.641 1.00 0.00 C ATOM 111 C VAL A 13 7.211 16.823 -8.810 1.00 0.00 C ATOM 112 O VAL A 13 6.185 16.506 -9.409 1.00 0.00 O ATOM 113 CB VAL A 13 7.248 18.846 -7.255 1.00 0.00 C ATOM 114 CG1 VAL A 13 7.737 20.288 -7.102 1.00 0.00 C ATOM 115 CG2 VAL A 13 5.747 18.743 -6.978 1.00 0.00 C ATOM 0 H VAL A 13 6.065 19.540 -9.361 1.00 0.00 H new ATOM 0 HA VAL A 13 8.671 18.368 -8.746 1.00 0.00 H new ATOM 0 HB VAL A 13 7.767 18.236 -6.515 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.482 20.655 -6.108 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.818 20.322 -7.235 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.259 20.916 -7.854 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.532 19.141 -5.986 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.199 19.316 -7.726 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.439 17.698 -7.024 1.00 0.00 H new ATOM 125 N GLY A 14 8.061 15.961 -8.270 1.00 0.00 N ATOM 126 CA GLY A 14 7.829 14.529 -8.353 1.00 0.00 C ATOM 127 C GLY A 14 8.994 13.825 -9.053 1.00 0.00 C ATOM 128 O GLY A 14 9.600 14.379 -9.968 1.00 0.00 O ATOM 0 H GLY A 14 8.911 16.227 -7.773 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.701 14.119 -7.351 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.904 14.338 -8.897 1.00 0.00 H new ATOM 132 N LYS A 15 9.271 12.613 -8.595 1.00 0.00 N ATOM 133 CA LYS A 15 10.352 11.827 -9.165 1.00 0.00 C ATOM 134 C LYS A 15 9.890 10.378 -9.333 1.00 0.00 C ATOM 135 O LYS A 15 8.703 10.083 -9.204 1.00 0.00 O ATOM 136 CB LYS A 15 11.622 11.974 -8.325 1.00 0.00 C ATOM 137 CG LYS A 15 12.523 13.079 -8.881 1.00 0.00 C ATOM 138 CD LYS A 15 14.000 12.704 -8.745 1.00 0.00 C ATOM 139 CE LYS A 15 14.872 13.575 -9.650 1.00 0.00 C ATOM 140 NZ LYS A 15 16.135 12.877 -9.981 1.00 0.00 N ATOM 0 H LYS A 15 8.766 12.156 -7.836 1.00 0.00 H new ATOM 0 HA LYS A 15 10.609 12.197 -10.157 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.355 12.202 -7.293 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.165 11.029 -8.312 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.284 13.254 -9.930 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.331 14.011 -8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.315 12.822 -7.708 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.138 11.654 -9.003 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.331 13.814 -10.566 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.091 14.520 -9.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.715 13.482 -10.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.657 12.671 -9.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.921 11.987 -10.474 1.00 0.00 H new ATOM 154 N GLU A 16 10.852 9.513 -9.618 1.00 0.00 N ATOM 155 CA GLU A 16 10.558 8.102 -9.805 1.00 0.00 C ATOM 156 C GLU A 16 9.919 7.521 -8.542 1.00 0.00 C ATOM 157 O GLU A 16 10.545 7.489 -7.483 1.00 0.00 O ATOM 158 CB GLU A 16 11.820 7.326 -10.188 1.00 0.00 C ATOM 159 CG GLU A 16 11.510 6.265 -11.247 1.00 0.00 C ATOM 160 CD GLU A 16 12.530 5.126 -11.195 1.00 0.00 C ATOM 161 OE1 GLU A 16 13.678 5.371 -11.627 1.00 0.00 O ATOM 162 OE2 GLU A 16 12.140 4.035 -10.726 1.00 0.00 O ATOM 0 H GLU A 16 11.836 9.762 -9.724 1.00 0.00 H new ATOM 0 HA GLU A 16 9.847 8.004 -10.626 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.574 8.015 -10.568 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.241 6.850 -9.303 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.508 5.868 -11.087 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.518 6.721 -12.237 1.00 0.00 H new ATOM 169 N LEU A 17 8.681 7.076 -8.695 1.00 0.00 N ATOM 170 CA LEU A 17 7.950 6.498 -7.580 1.00 0.00 C ATOM 171 C LEU A 17 8.896 5.622 -6.755 1.00 0.00 C ATOM 172 O LEU A 17 9.910 5.148 -7.264 1.00 0.00 O ATOM 173 CB LEU A 17 6.707 5.760 -8.079 1.00 0.00 C ATOM 174 CG LEU A 17 5.782 6.554 -9.004 1.00 0.00 C ATOM 175 CD1 LEU A 17 5.765 8.035 -8.623 1.00 0.00 C ATOM 176 CD2 LEU A 17 6.162 6.343 -10.471 1.00 0.00 C ATOM 0 H LEU A 17 8.165 7.104 -9.574 1.00 0.00 H new ATOM 0 HA LEU A 17 7.582 7.282 -6.918 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.029 4.861 -8.604 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.130 5.434 -7.213 1.00 0.00 H new ATOM 0 HG LEU A 17 4.767 6.178 -8.877 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.100 8.576 -9.296 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.410 8.143 -7.598 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.773 8.443 -8.703 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.489 6.918 -11.107 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.187 6.676 -10.633 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.080 5.285 -10.719 1.00 0.00 H new ATOM 188 N VAL A 18 8.529 5.434 -5.496 1.00 0.00 N ATOM 189 CA VAL A 18 9.332 4.624 -4.596 1.00 0.00 C ATOM 190 C VAL A 18 8.769 3.202 -4.558 1.00 0.00 C ATOM 191 O VAL A 18 7.554 3.011 -4.571 1.00 0.00 O ATOM 192 CB VAL A 18 9.394 5.280 -3.215 1.00 0.00 C ATOM 193 CG1 VAL A 18 8.000 5.701 -2.746 1.00 0.00 C ATOM 194 CG2 VAL A 18 10.059 4.352 -2.197 1.00 0.00 C ATOM 0 H VAL A 18 7.686 5.829 -5.078 1.00 0.00 H new ATOM 0 HA VAL A 18 10.359 4.558 -4.955 1.00 0.00 H new ATOM 0 HB VAL A 18 10.005 6.179 -3.297 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.072 6.164 -1.762 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.578 6.415 -3.454 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.355 4.824 -2.688 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.090 4.842 -1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.487 3.428 -2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.074 4.124 -2.521 1.00 0.00 H new ATOM 204 N ASP A 19 9.679 2.240 -4.512 1.00 0.00 N ATOM 205 CA ASP A 19 9.289 0.841 -4.472 1.00 0.00 C ATOM 206 C ASP A 19 8.814 0.489 -3.061 1.00 0.00 C ATOM 207 O ASP A 19 9.501 0.774 -2.081 1.00 0.00 O ATOM 208 CB ASP A 19 10.468 -0.070 -4.815 1.00 0.00 C ATOM 209 CG ASP A 19 10.184 -1.119 -5.892 1.00 0.00 C ATOM 210 OD1 ASP A 19 9.015 -1.556 -5.964 1.00 0.00 O ATOM 211 OD2 ASP A 19 11.142 -1.459 -6.620 1.00 0.00 O ATOM 0 H ASP A 19 10.686 2.402 -4.502 1.00 0.00 H new ATOM 0 HA ASP A 19 8.494 0.692 -5.203 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.302 0.549 -5.144 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.789 -0.581 -3.907 1.00 0.00 H new ATOM 216 N LEU A 20 7.641 -0.126 -3.002 1.00 0.00 N ATOM 217 CA LEU A 20 7.067 -0.520 -1.727 1.00 0.00 C ATOM 218 C LEU A 20 6.361 -1.868 -1.885 1.00 0.00 C ATOM 219 O LEU A 20 5.899 -2.207 -2.974 1.00 0.00 O ATOM 220 CB LEU A 20 6.162 0.587 -1.182 1.00 0.00 C ATOM 221 CG LEU A 20 6.827 1.947 -0.957 1.00 0.00 C ATOM 222 CD1 LEU A 20 5.789 3.013 -0.600 1.00 0.00 C ATOM 223 CD2 LEU A 20 7.933 1.849 0.097 1.00 0.00 C ATOM 0 H LEU A 20 7.073 -0.361 -3.816 1.00 0.00 H new ATOM 0 HA LEU A 20 7.851 -0.655 -0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.330 0.722 -1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.739 0.250 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 20 7.297 2.255 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.288 3.970 -0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.069 3.107 -1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.269 2.723 0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.389 2.829 0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.507 1.508 1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.691 1.140 -0.236 1.00 0.00 H new ATOM 235 N LYS A 21 6.299 -2.601 -0.783 1.00 0.00 N ATOM 236 CA LYS A 21 5.658 -3.904 -0.786 1.00 0.00 C ATOM 237 C LYS A 21 4.367 -3.835 0.033 1.00 0.00 C ATOM 238 O LYS A 21 4.375 -3.371 1.172 1.00 0.00 O ATOM 239 CB LYS A 21 6.632 -4.982 -0.307 1.00 0.00 C ATOM 240 CG LYS A 21 7.496 -5.492 -1.463 1.00 0.00 C ATOM 241 CD LYS A 21 8.983 -5.407 -1.114 1.00 0.00 C ATOM 242 CE LYS A 21 9.851 -5.707 -2.338 1.00 0.00 C ATOM 243 NZ LYS A 21 10.640 -6.941 -2.125 1.00 0.00 N ATOM 0 H LYS A 21 6.683 -2.317 0.118 1.00 0.00 H new ATOM 0 HA LYS A 21 5.378 -4.188 -1.801 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.271 -4.577 0.478 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.076 -5.812 0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.231 -6.524 -1.692 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.295 -4.905 -2.359 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.215 -4.412 -0.734 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.214 -6.114 -0.317 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.220 -5.820 -3.220 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.521 -4.869 -2.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.223 -7.130 -2.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.256 -6.820 -1.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.996 -7.741 -1.964 1.00 0.00 H new ATOM 257 N ILE A 22 3.289 -4.303 -0.579 1.00 0.00 N ATOM 258 CA ILE A 22 1.994 -4.299 0.079 1.00 0.00 C ATOM 259 C ILE A 22 1.764 -5.655 0.751 1.00 0.00 C ATOM 260 O ILE A 22 1.742 -6.687 0.082 1.00 0.00 O ATOM 261 CB ILE A 22 0.892 -3.908 -0.908 1.00 0.00 C ATOM 262 CG1 ILE A 22 1.373 -2.809 -1.858 1.00 0.00 C ATOM 263 CG2 ILE A 22 -0.388 -3.509 -0.171 1.00 0.00 C ATOM 264 CD1 ILE A 22 1.686 -1.521 -1.093 1.00 0.00 C ATOM 0 H ILE A 22 3.286 -4.688 -1.524 1.00 0.00 H new ATOM 0 HA ILE A 22 1.969 -3.544 0.865 1.00 0.00 H new ATOM 0 HB ILE A 22 0.654 -4.780 -1.518 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.263 -3.146 -2.389 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.609 -2.613 -2.610 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.155 -3.236 -0.896 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.739 -4.348 0.430 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.183 -2.658 0.479 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.026 -0.756 -1.792 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.788 -1.173 -0.583 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.468 -1.715 -0.359 1.00 0.00 H new ATOM 276 N ILE A 23 1.600 -5.608 2.064 1.00 0.00 N ATOM 277 CA ILE A 23 1.373 -6.820 2.834 1.00 0.00 C ATOM 278 C ILE A 23 -0.028 -6.774 3.447 1.00 0.00 C ATOM 279 O ILE A 23 -0.407 -5.780 4.064 1.00 0.00 O ATOM 280 CB ILE A 23 2.489 -7.019 3.862 1.00 0.00 C ATOM 281 CG1 ILE A 23 3.816 -6.458 3.347 1.00 0.00 C ATOM 282 CG2 ILE A 23 2.607 -8.490 4.265 1.00 0.00 C ATOM 283 CD1 ILE A 23 4.283 -7.211 2.100 1.00 0.00 C ATOM 0 H ILE A 23 1.620 -4.750 2.615 1.00 0.00 H new ATOM 0 HA ILE A 23 1.409 -7.696 2.186 1.00 0.00 H new ATOM 0 HB ILE A 23 2.230 -6.459 4.760 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.702 -5.399 3.115 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.574 -6.533 4.127 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.407 -8.604 4.996 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.666 -8.824 4.702 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.832 -9.092 3.384 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.228 -6.792 1.755 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.420 -8.265 2.341 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.534 -7.113 1.314 1.00 0.00 H new ATOM 295 N TRP A 24 -0.758 -7.864 3.257 1.00 0.00 N ATOM 296 CA TRP A 24 -2.108 -7.960 3.785 1.00 0.00 C ATOM 297 C TRP A 24 -2.475 -9.443 3.876 1.00 0.00 C ATOM 298 O TRP A 24 -3.628 -9.815 3.664 1.00 0.00 O ATOM 299 CB TRP A 24 -3.089 -7.154 2.931 1.00 0.00 C ATOM 300 CG TRP A 24 -4.550 -7.291 3.365 1.00 0.00 C ATOM 301 CD1 TRP A 24 -5.027 -7.541 4.592 1.00 0.00 C ATOM 302 CD2 TRP A 24 -5.713 -7.174 2.518 1.00 0.00 C ATOM 303 NE1 TRP A 24 -6.406 -7.594 4.598 1.00 0.00 N ATOM 304 CE2 TRP A 24 -6.836 -7.364 3.297 1.00 0.00 C ATOM 305 CE3 TRP A 24 -5.812 -6.917 1.139 1.00 0.00 C ATOM 306 CZ2 TRP A 24 -8.139 -7.317 2.787 1.00 0.00 C ATOM 307 CZ3 TRP A 24 -7.121 -6.873 0.645 1.00 0.00 C ATOM 308 CH2 TRP A 24 -8.263 -7.062 1.416 1.00 0.00 C ATOM 0 H TRP A 24 -0.440 -8.687 2.745 1.00 0.00 H new ATOM 0 HA TRP A 24 -2.164 -7.525 4.783 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -2.807 -6.102 2.967 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.998 -7.473 1.893 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -4.410 -7.683 5.467 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -7.000 -7.770 5.408 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.947 -6.766 0.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -9.002 -7.469 3.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -7.253 -6.679 -0.409 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -9.240 -7.012 0.959 1.00 0.00 H new ATOM 319 N ASN A 25 -1.472 -10.249 4.192 1.00 0.00 N ATOM 320 CA ASN A 25 -1.675 -11.683 4.315 1.00 0.00 C ATOM 321 C ASN A 25 -0.316 -12.385 4.341 1.00 0.00 C ATOM 322 O ASN A 25 -0.082 -13.261 5.172 1.00 0.00 O ATOM 323 CB ASN A 25 -2.467 -12.230 3.126 1.00 0.00 C ATOM 324 CG ASN A 25 -3.740 -12.938 3.595 1.00 0.00 C ATOM 325 OD1 ASN A 25 -3.963 -14.109 3.333 1.00 0.00 O ATOM 326 ND2 ASN A 25 -4.560 -12.165 4.302 1.00 0.00 N ATOM 0 H ASN A 25 -0.517 -9.937 4.367 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.230 -11.868 5.234 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.728 -11.414 2.452 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.847 -12.925 2.560 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.436 -12.545 4.661 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.313 -11.193 4.485 1.00 0.00 H new ATOM 333 N LYS A 26 0.545 -11.974 3.421 1.00 0.00 N ATOM 334 CA LYS A 26 1.874 -12.553 3.328 1.00 0.00 C ATOM 335 C LYS A 26 2.483 -12.205 1.968 1.00 0.00 C ATOM 336 O LYS A 26 3.686 -11.969 1.865 1.00 0.00 O ATOM 337 CB LYS A 26 1.826 -14.055 3.614 1.00 0.00 C ATOM 338 CG LYS A 26 2.274 -14.355 5.046 1.00 0.00 C ATOM 339 CD LYS A 26 1.594 -15.618 5.580 1.00 0.00 C ATOM 340 CE LYS A 26 1.413 -15.543 7.097 1.00 0.00 C ATOM 341 NZ LYS A 26 2.729 -15.499 7.774 1.00 0.00 N ATOM 0 H LYS A 26 0.348 -11.247 2.734 1.00 0.00 H new ATOM 0 HA LYS A 26 2.528 -12.128 4.089 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.812 -14.426 3.461 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.468 -14.584 2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.356 -14.481 5.073 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.035 -13.509 5.690 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.623 -15.743 5.100 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.192 -16.493 5.324 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.834 -14.657 7.357 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.847 -16.407 7.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.592 -15.551 8.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.308 -16.304 7.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.213 -14.611 7.534 1.00 0.00 H new ATOM 355 N THR A 27 1.625 -12.184 0.959 1.00 0.00 N ATOM 356 CA THR A 27 2.063 -11.869 -0.390 1.00 0.00 C ATOM 357 C THR A 27 2.798 -10.527 -0.412 1.00 0.00 C ATOM 358 O THR A 27 2.663 -9.726 0.512 1.00 0.00 O ATOM 359 CB THR A 27 0.838 -11.906 -1.306 1.00 0.00 C ATOM 360 OG1 THR A 27 -0.166 -11.210 -0.572 1.00 0.00 O ATOM 361 CG2 THR A 27 0.270 -13.318 -1.467 1.00 0.00 C ATOM 0 H THR A 27 0.628 -12.380 1.049 1.00 0.00 H new ATOM 0 HA THR A 27 2.781 -12.604 -0.754 1.00 0.00 H new ATOM 0 HB THR A 27 1.105 -11.508 -2.285 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.526 -10.482 -1.120 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.598 -13.288 -2.126 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.031 -13.969 -1.897 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.028 -13.704 -0.492 1.00 0.00 H new ATOM 369 N LYS A 28 3.558 -10.322 -1.477 1.00 0.00 N ATOM 370 CA LYS A 28 4.315 -9.091 -1.632 1.00 0.00 C ATOM 371 C LYS A 28 3.962 -8.446 -2.974 1.00 0.00 C ATOM 372 O LYS A 28 4.551 -8.779 -4.001 1.00 0.00 O ATOM 373 CB LYS A 28 5.811 -9.355 -1.451 1.00 0.00 C ATOM 374 CG LYS A 28 6.152 -9.589 0.022 1.00 0.00 C ATOM 375 CD LYS A 28 6.819 -10.951 0.221 1.00 0.00 C ATOM 376 CE LYS A 28 7.462 -11.050 1.605 1.00 0.00 C ATOM 377 NZ LYS A 28 7.471 -12.454 2.073 1.00 0.00 N ATOM 0 H LYS A 28 3.666 -10.988 -2.242 1.00 0.00 H new ATOM 0 HA LYS A 28 4.045 -8.377 -0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.104 -10.225 -2.039 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.382 -8.507 -1.830 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.816 -8.800 0.375 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.244 -9.534 0.622 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.079 -11.743 0.102 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.576 -11.105 -0.548 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.482 -10.667 1.567 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.914 -10.428 2.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.911 -12.503 3.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.495 -12.808 2.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.014 -13.039 1.406 1.00 0.00 H new ATOM 391 N HIS A 29 3.001 -7.535 -2.922 1.00 0.00 N ATOM 392 CA HIS A 29 2.563 -6.840 -4.120 1.00 0.00 C ATOM 393 C HIS A 29 3.473 -5.638 -4.378 1.00 0.00 C ATOM 394 O HIS A 29 3.384 -4.627 -3.682 1.00 0.00 O ATOM 395 CB HIS A 29 1.086 -6.455 -4.015 1.00 0.00 C ATOM 396 CG HIS A 29 0.181 -7.594 -3.609 1.00 0.00 C ATOM 397 ND1 HIS A 29 0.205 -8.829 -4.233 1.00 0.00 N ATOM 398 CD2 HIS A 29 -0.771 -7.672 -2.637 1.00 0.00 C ATOM 399 CE1 HIS A 29 -0.697 -9.607 -3.654 1.00 0.00 C ATOM 400 NE2 HIS A 29 -1.302 -8.889 -2.666 1.00 0.00 N ATOM 0 H HIS A 29 2.514 -7.262 -2.069 1.00 0.00 H new ATOM 0 HA HIS A 29 2.645 -7.504 -4.981 1.00 0.00 H new ATOM 0 HB2 HIS A 29 0.983 -5.647 -3.291 1.00 0.00 H new ATOM 0 HB3 HIS A 29 0.753 -6.066 -4.977 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.047 -6.879 -1.958 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.915 -10.631 -3.918 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -2.041 -9.230 -2.051 1.00 0.00 H new ATOM 408 N ASP A 30 4.326 -5.786 -5.381 1.00 0.00 N ATOM 409 CA ASP A 30 5.251 -4.724 -5.739 1.00 0.00 C ATOM 410 C ASP A 30 4.484 -3.598 -6.434 1.00 0.00 C ATOM 411 O ASP A 30 3.947 -3.789 -7.525 1.00 0.00 O ATOM 412 CB ASP A 30 6.324 -5.231 -6.705 1.00 0.00 C ATOM 413 CG ASP A 30 5.821 -6.193 -7.784 1.00 0.00 C ATOM 414 OD1 ASP A 30 5.786 -7.407 -7.490 1.00 0.00 O ATOM 415 OD2 ASP A 30 5.482 -5.691 -8.878 1.00 0.00 O ATOM 0 H ASP A 30 4.396 -6.625 -5.957 1.00 0.00 H new ATOM 0 HA ASP A 30 5.727 -4.369 -4.825 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.788 -4.373 -7.192 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.103 -5.730 -6.129 1.00 0.00 H new ATOM 420 N VAL A 31 4.456 -2.449 -5.775 1.00 0.00 N ATOM 421 CA VAL A 31 3.763 -1.292 -6.316 1.00 0.00 C ATOM 422 C VAL A 31 4.665 -0.063 -6.200 1.00 0.00 C ATOM 423 O VAL A 31 5.413 0.075 -5.232 1.00 0.00 O ATOM 424 CB VAL A 31 2.415 -1.114 -5.613 1.00 0.00 C ATOM 425 CG1 VAL A 31 1.400 -2.149 -6.102 1.00 0.00 C ATOM 426 CG2 VAL A 31 2.577 -1.180 -4.093 1.00 0.00 C ATOM 0 H VAL A 31 4.902 -2.294 -4.871 1.00 0.00 H new ATOM 0 HA VAL A 31 3.546 -1.437 -7.374 1.00 0.00 H new ATOM 0 HB VAL A 31 2.033 -0.125 -5.867 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.451 -2.000 -5.586 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.252 -2.034 -7.176 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.773 -3.152 -5.893 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.605 -1.051 -3.618 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.992 -2.148 -3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.250 -0.388 -3.764 1.00 0.00 H new ATOM 436 N LYS A 32 4.566 0.801 -7.200 1.00 0.00 N ATOM 437 CA LYS A 32 5.365 2.015 -7.222 1.00 0.00 C ATOM 438 C LYS A 32 4.463 3.218 -6.938 1.00 0.00 C ATOM 439 O LYS A 32 3.446 3.407 -7.603 1.00 0.00 O ATOM 440 CB LYS A 32 6.138 2.123 -8.537 1.00 0.00 C ATOM 441 CG LYS A 32 5.339 2.906 -9.581 1.00 0.00 C ATOM 442 CD LYS A 32 5.848 2.613 -10.994 1.00 0.00 C ATOM 443 CE LYS A 32 4.691 2.560 -11.994 1.00 0.00 C ATOM 444 NZ LYS A 32 5.067 1.761 -13.181 1.00 0.00 N ATOM 0 H LYS A 32 3.945 0.685 -8.001 1.00 0.00 H new ATOM 0 HA LYS A 32 6.120 1.989 -6.436 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.094 2.616 -8.361 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.359 1.125 -8.916 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.284 2.643 -9.509 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.416 3.974 -9.377 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.559 3.383 -11.295 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.384 1.664 -11.002 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.812 2.124 -11.519 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.420 3.571 -12.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.270 1.736 -13.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.893 2.193 -13.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.303 0.792 -12.887 1.00 0.00 H new ATOM 458 N VAL A 33 4.869 4.001 -5.949 1.00 0.00 N ATOM 459 CA VAL A 33 4.111 5.181 -5.569 1.00 0.00 C ATOM 460 C VAL A 33 5.079 6.317 -5.233 1.00 0.00 C ATOM 461 O VAL A 33 6.211 6.072 -4.820 1.00 0.00 O ATOM 462 CB VAL A 33 3.162 4.844 -4.417 1.00 0.00 C ATOM 463 CG1 VAL A 33 2.525 3.467 -4.616 1.00 0.00 C ATOM 464 CG2 VAL A 33 3.884 4.924 -3.070 1.00 0.00 C ATOM 0 H VAL A 33 5.713 3.841 -5.399 1.00 0.00 H new ATOM 0 HA VAL A 33 3.488 5.519 -6.398 1.00 0.00 H new ATOM 0 HB VAL A 33 2.363 5.586 -4.414 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.855 3.252 -3.783 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.960 3.459 -5.548 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.306 2.708 -4.659 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.187 4.680 -2.268 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.712 4.216 -3.059 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.268 5.933 -2.922 1.00 0.00 H new ATOM 474 N PRO A 34 4.585 7.569 -5.429 1.00 0.00 N ATOM 475 CA PRO A 34 5.393 8.745 -5.152 1.00 0.00 C ATOM 476 C PRO A 34 5.508 8.988 -3.646 1.00 0.00 C ATOM 477 O PRO A 34 4.624 8.603 -2.882 1.00 0.00 O ATOM 478 CB PRO A 34 4.700 9.881 -5.886 1.00 0.00 C ATOM 479 CG PRO A 34 3.285 9.398 -6.160 1.00 0.00 C ATOM 480 CD PRO A 34 3.249 7.898 -5.918 1.00 0.00 C ATOM 0 HA PRO A 34 6.423 8.638 -5.494 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.693 10.789 -5.283 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.218 10.119 -6.815 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.575 9.907 -5.508 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.996 9.626 -7.186 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.484 7.633 -5.188 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.018 7.355 -6.834 1.00 0.00 H new ATOM 488 N LEU A 35 6.605 9.626 -3.264 1.00 0.00 N ATOM 489 CA LEU A 35 6.847 9.925 -1.863 1.00 0.00 C ATOM 490 C LEU A 35 6.115 11.215 -1.488 1.00 0.00 C ATOM 491 O LEU A 35 5.947 11.516 -0.307 1.00 0.00 O ATOM 492 CB LEU A 35 8.349 9.965 -1.576 1.00 0.00 C ATOM 493 CG LEU A 35 8.814 9.209 -0.329 1.00 0.00 C ATOM 494 CD1 LEU A 35 8.292 7.771 -0.334 1.00 0.00 C ATOM 495 CD2 LEU A 35 10.337 9.265 -0.190 1.00 0.00 C ATOM 0 H LEU A 35 7.336 9.944 -3.900 1.00 0.00 H new ATOM 0 HA LEU A 35 6.446 9.134 -1.229 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.875 9.559 -2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.653 11.007 -1.479 1.00 0.00 H new ATOM 0 HG LEU A 35 8.392 9.702 0.547 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.637 7.256 0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.202 7.780 -0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.665 7.252 -1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.641 8.720 0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.799 8.811 -1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.657 10.304 -0.108 1.00 0.00 H new ATOM 507 N ASP A 36 5.698 11.941 -2.514 1.00 0.00 N ATOM 508 CA ASP A 36 4.988 13.192 -2.307 1.00 0.00 C ATOM 509 C ASP A 36 3.560 12.892 -1.846 1.00 0.00 C ATOM 510 O ASP A 36 2.838 13.793 -1.422 1.00 0.00 O ATOM 511 CB ASP A 36 4.906 14.000 -3.603 1.00 0.00 C ATOM 512 CG ASP A 36 5.727 15.291 -3.613 1.00 0.00 C ATOM 513 OD1 ASP A 36 5.256 16.268 -2.990 1.00 0.00 O ATOM 514 OD2 ASP A 36 6.806 15.273 -4.243 1.00 0.00 O ATOM 0 H ASP A 36 5.838 11.687 -3.492 1.00 0.00 H new ATOM 0 HA ASP A 36 5.531 13.768 -1.557 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.238 13.370 -4.428 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.862 14.250 -3.792 1.00 0.00 H new ATOM 519 N SER A 37 3.195 11.622 -1.943 1.00 0.00 N ATOM 520 CA SER A 37 1.867 11.191 -1.541 1.00 0.00 C ATOM 521 C SER A 37 1.700 11.352 -0.029 1.00 0.00 C ATOM 522 O SER A 37 2.604 11.023 0.737 1.00 0.00 O ATOM 523 CB SER A 37 1.610 9.740 -1.953 1.00 0.00 C ATOM 524 OG SER A 37 2.225 9.422 -3.198 1.00 0.00 O ATOM 0 H SER A 37 3.797 10.877 -2.295 1.00 0.00 H new ATOM 0 HA SER A 37 1.135 11.819 -2.049 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.989 9.071 -1.180 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.536 9.568 -2.025 1.00 0.00 H new ATOM 0 HG SER A 37 2.991 8.831 -3.043 1.00 0.00 H new ATOM 530 N THR A 38 0.537 11.858 0.356 1.00 0.00 N ATOM 531 CA THR A 38 0.240 12.066 1.763 1.00 0.00 C ATOM 532 C THR A 38 0.005 10.725 2.462 1.00 0.00 C ATOM 533 O THR A 38 -0.605 9.822 1.892 1.00 0.00 O ATOM 534 CB THR A 38 -0.953 13.018 1.858 1.00 0.00 C ATOM 535 OG1 THR A 38 -2.071 12.212 1.499 1.00 0.00 O ATOM 536 CG2 THR A 38 -0.919 14.108 0.784 1.00 0.00 C ATOM 0 H THR A 38 -0.211 12.130 -0.282 1.00 0.00 H new ATOM 0 HA THR A 38 1.082 12.524 2.282 1.00 0.00 H new ATOM 0 HB THR A 38 -0.970 13.481 2.845 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.860 12.781 1.380 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.788 14.757 0.896 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.009 14.698 0.893 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.936 13.647 -0.203 1.00 0.00 H new ATOM 544 N GLY A 39 0.502 10.638 3.687 1.00 0.00 N ATOM 545 CA GLY A 39 0.353 9.424 4.470 1.00 0.00 C ATOM 546 C GLY A 39 -1.062 8.858 4.342 1.00 0.00 C ATOM 547 O GLY A 39 -1.270 7.655 4.494 1.00 0.00 O ATOM 0 H GLY A 39 1.008 11.389 4.156 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.077 8.681 4.136 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.571 9.634 5.517 1.00 0.00 H new ATOM 551 N SER A 40 -1.999 9.752 4.062 1.00 0.00 N ATOM 552 CA SER A 40 -3.389 9.357 3.911 1.00 0.00 C ATOM 553 C SER A 40 -3.596 8.676 2.557 1.00 0.00 C ATOM 554 O SER A 40 -4.255 7.641 2.472 1.00 0.00 O ATOM 555 CB SER A 40 -4.322 10.562 4.047 1.00 0.00 C ATOM 556 OG SER A 40 -4.734 11.064 2.779 1.00 0.00 O ATOM 0 H SER A 40 -1.823 10.749 3.936 1.00 0.00 H new ATOM 0 HA SER A 40 -3.632 8.652 4.706 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.200 10.277 4.627 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.816 11.352 4.602 1.00 0.00 H new ATOM 0 HG SER A 40 -3.958 11.429 2.304 1.00 0.00 H new ATOM 562 N GLU A 41 -3.020 9.285 1.531 1.00 0.00 N ATOM 563 CA GLU A 41 -3.133 8.751 0.184 1.00 0.00 C ATOM 564 C GLU A 41 -2.886 7.241 0.190 1.00 0.00 C ATOM 565 O GLU A 41 -3.543 6.498 -0.538 1.00 0.00 O ATOM 566 CB GLU A 41 -2.170 9.460 -0.770 1.00 0.00 C ATOM 567 CG GLU A 41 -2.908 10.489 -1.629 1.00 0.00 C ATOM 568 CD GLU A 41 -2.429 10.435 -3.081 1.00 0.00 C ATOM 569 OE1 GLU A 41 -2.812 9.463 -3.769 1.00 0.00 O ATOM 570 OE2 GLU A 41 -1.692 11.366 -3.471 1.00 0.00 O ATOM 0 H GLU A 41 -2.474 10.143 1.605 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.146 8.933 -0.174 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.384 9.954 -0.199 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.683 8.726 -1.413 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.981 10.299 -1.589 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.746 11.488 -1.226 1.00 0.00 H new ATOM 577 N LEU A 42 -1.937 6.832 1.019 1.00 0.00 N ATOM 578 CA LEU A 42 -1.595 5.424 1.129 1.00 0.00 C ATOM 579 C LEU A 42 -2.877 4.589 1.104 1.00 0.00 C ATOM 580 O LEU A 42 -2.980 3.627 0.344 1.00 0.00 O ATOM 581 CB LEU A 42 -0.726 5.179 2.364 1.00 0.00 C ATOM 582 CG LEU A 42 0.753 4.889 2.097 1.00 0.00 C ATOM 583 CD1 LEU A 42 1.456 4.408 3.368 1.00 0.00 C ATOM 584 CD2 LEU A 42 0.917 3.899 0.942 1.00 0.00 C ATOM 0 H LEU A 42 -1.394 7.451 1.621 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.993 5.110 0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.793 6.054 3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.146 4.340 2.919 1.00 0.00 H new ATOM 0 HG LEU A 42 1.235 5.819 1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.505 4.209 3.150 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.384 5.177 4.137 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.980 3.494 3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.977 3.710 0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.417 2.963 1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.474 4.318 0.038 1.00 0.00 H new ATOM 596 N LYS A 43 -3.821 4.986 1.944 1.00 0.00 N ATOM 597 CA LYS A 43 -5.091 4.286 2.028 1.00 0.00 C ATOM 598 C LYS A 43 -5.645 4.074 0.618 1.00 0.00 C ATOM 599 O LYS A 43 -5.919 2.943 0.218 1.00 0.00 O ATOM 600 CB LYS A 43 -6.051 5.028 2.961 1.00 0.00 C ATOM 601 CG LYS A 43 -5.766 4.687 4.425 1.00 0.00 C ATOM 602 CD LYS A 43 -4.506 5.400 4.919 1.00 0.00 C ATOM 603 CE LYS A 43 -4.625 5.760 6.401 1.00 0.00 C ATOM 604 NZ LYS A 43 -3.291 6.044 6.974 1.00 0.00 N ATOM 0 H LYS A 43 -3.732 5.784 2.573 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.954 3.299 2.469 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.954 6.103 2.809 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.080 4.763 2.716 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.617 4.976 5.042 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.645 3.609 4.534 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.638 4.759 4.765 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.343 6.305 4.333 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.271 6.630 6.519 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.093 4.939 6.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.077 5.348 7.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.572 5.985 6.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.286 7.000 7.384 1.00 0.00 H new ATOM 618 N GLN A 44 -5.794 5.179 -0.098 1.00 0.00 N ATOM 619 CA GLN A 44 -6.310 5.128 -1.455 1.00 0.00 C ATOM 620 C GLN A 44 -5.327 4.396 -2.370 1.00 0.00 C ATOM 621 O GLN A 44 -5.710 3.898 -3.428 1.00 0.00 O ATOM 622 CB GLN A 44 -6.607 6.534 -1.982 1.00 0.00 C ATOM 623 CG GLN A 44 -7.732 7.193 -1.182 1.00 0.00 C ATOM 624 CD GLN A 44 -8.936 7.496 -2.077 1.00 0.00 C ATOM 625 OE1 GLN A 44 -9.648 6.611 -2.524 1.00 0.00 O ATOM 626 NE2 GLN A 44 -9.123 8.791 -2.312 1.00 0.00 N ATOM 0 H GLN A 44 -5.566 6.115 0.237 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.248 4.573 -1.445 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.707 7.146 -1.923 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.887 6.480 -3.034 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.036 6.537 -0.367 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.369 8.116 -0.730 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.489 9.480 -1.906 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.900 9.096 -2.898 1.00 0.00 H new ATOM 635 N LYS A 45 -4.078 4.352 -1.930 1.00 0.00 N ATOM 636 CA LYS A 45 -3.037 3.689 -2.696 1.00 0.00 C ATOM 637 C LYS A 45 -3.101 2.182 -2.437 1.00 0.00 C ATOM 638 O LYS A 45 -2.730 1.385 -3.297 1.00 0.00 O ATOM 639 CB LYS A 45 -1.671 4.307 -2.391 1.00 0.00 C ATOM 640 CG LYS A 45 -0.976 4.762 -3.677 1.00 0.00 C ATOM 641 CD LYS A 45 -1.878 5.695 -4.487 1.00 0.00 C ATOM 642 CE LYS A 45 -1.164 7.010 -4.803 1.00 0.00 C ATOM 643 NZ LYS A 45 -1.743 7.638 -6.012 1.00 0.00 N ATOM 0 H LYS A 45 -3.764 4.765 -1.052 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.197 3.837 -3.764 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.794 5.157 -1.719 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.046 3.579 -1.873 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.046 5.274 -3.430 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.712 3.893 -4.279 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.174 5.206 -5.415 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.792 5.898 -3.929 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.251 7.690 -3.956 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.101 6.825 -4.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.982 7.862 -6.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.416 6.981 -6.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.238 8.513 -5.745 1.00 0.00 H new ATOM 657 N ILE A 46 -3.575 1.838 -1.249 1.00 0.00 N ATOM 658 CA ILE A 46 -3.693 0.441 -0.866 1.00 0.00 C ATOM 659 C ILE A 46 -5.083 -0.072 -1.246 1.00 0.00 C ATOM 660 O ILE A 46 -5.224 -1.194 -1.730 1.00 0.00 O ATOM 661 CB ILE A 46 -3.354 0.261 0.615 1.00 0.00 C ATOM 662 CG1 ILE A 46 -2.086 1.033 0.986 1.00 0.00 C ATOM 663 CG2 ILE A 46 -3.249 -1.222 0.977 1.00 0.00 C ATOM 664 CD1 ILE A 46 -2.261 1.768 2.316 1.00 0.00 C ATOM 0 H ILE A 46 -3.882 2.502 -0.539 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.970 -0.166 -1.411 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.169 0.680 1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.244 0.344 1.055 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.849 1.749 0.199 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.007 -1.322 2.035 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.200 -1.714 0.774 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.465 -1.688 0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.345 2.309 2.556 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.088 2.473 2.236 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.474 1.047 3.105 1.00 0.00 H new ATOM 676 N HIS A 47 -6.075 0.774 -1.013 1.00 0.00 N ATOM 677 CA HIS A 47 -7.450 0.421 -1.324 1.00 0.00 C ATOM 678 C HIS A 47 -7.588 0.176 -2.828 1.00 0.00 C ATOM 679 O HIS A 47 -8.527 -0.485 -3.269 1.00 0.00 O ATOM 680 CB HIS A 47 -8.416 1.487 -0.805 1.00 0.00 C ATOM 681 CG HIS A 47 -9.647 1.669 -1.662 1.00 0.00 C ATOM 682 ND1 HIS A 47 -10.610 0.780 -2.038 1.00 0.00 N flip ATOM 683 CD2 HIS A 47 -9.990 2.882 -2.232 1.00 0.00 C flip ATOM 684 CE1 HIS A 47 -11.495 1.416 -2.797 1.00 0.00 C flip ATOM 685 NE2 HIS A 47 -11.111 2.719 -2.919 1.00 0.00 N flip ATOM 0 H HIS A 47 -5.954 1.704 -0.612 1.00 0.00 H new ATOM 0 HA HIS A 47 -7.716 -0.505 -0.814 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -8.725 1.221 0.206 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -7.889 2.439 -0.737 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -10.645 -0.206 -1.780 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -9.438 3.805 -2.134 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -12.374 0.974 -3.244 1.00 0.00 H new ATOM 693 N SER A 48 -6.639 0.723 -3.574 1.00 0.00 N ATOM 694 CA SER A 48 -6.643 0.572 -5.019 1.00 0.00 C ATOM 695 C SER A 48 -6.200 -0.842 -5.400 1.00 0.00 C ATOM 696 O SER A 48 -6.457 -1.298 -6.513 1.00 0.00 O ATOM 697 CB SER A 48 -5.736 1.610 -5.684 1.00 0.00 C ATOM 698 OG SER A 48 -6.392 2.286 -6.752 1.00 0.00 O ATOM 0 H SER A 48 -5.862 1.271 -3.205 1.00 0.00 H new ATOM 0 HA SER A 48 -7.660 0.735 -5.376 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.411 2.337 -4.940 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.839 1.119 -6.062 1.00 0.00 H new ATOM 0 HG SER A 48 -5.781 2.941 -7.149 1.00 0.00 H new ATOM 704 N ILE A 49 -5.542 -1.496 -4.454 1.00 0.00 N ATOM 705 CA ILE A 49 -5.061 -2.849 -4.676 1.00 0.00 C ATOM 706 C ILE A 49 -5.888 -3.824 -3.835 1.00 0.00 C ATOM 707 O ILE A 49 -6.564 -4.697 -4.377 1.00 0.00 O ATOM 708 CB ILE A 49 -3.556 -2.932 -4.411 1.00 0.00 C ATOM 709 CG1 ILE A 49 -2.860 -1.623 -4.789 1.00 0.00 C ATOM 710 CG2 ILE A 49 -2.940 -4.136 -5.126 1.00 0.00 C ATOM 711 CD1 ILE A 49 -1.362 -1.691 -4.483 1.00 0.00 C ATOM 0 H ILE A 49 -5.331 -1.114 -3.532 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.194 -3.135 -5.719 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.404 -3.080 -3.342 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.009 -1.420 -5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.310 -0.796 -4.240 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.870 -4.172 -4.922 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.409 -5.052 -4.767 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.101 -4.043 -6.200 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.891 -0.748 -4.761 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.216 -1.870 -3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.911 -2.504 -5.052 1.00 0.00 H new ATOM 723 N THR A 50 -5.806 -3.643 -2.525 1.00 0.00 N ATOM 724 CA THR A 50 -6.538 -4.496 -1.605 1.00 0.00 C ATOM 725 C THR A 50 -7.991 -4.649 -2.060 1.00 0.00 C ATOM 726 O THR A 50 -8.569 -5.729 -1.950 1.00 0.00 O ATOM 727 CB THR A 50 -6.401 -3.904 -0.201 1.00 0.00 C ATOM 728 OG1 THR A 50 -6.973 -2.604 -0.315 1.00 0.00 O ATOM 729 CG2 THR A 50 -4.944 -3.638 0.183 1.00 0.00 C ATOM 0 H THR A 50 -5.244 -2.918 -2.079 1.00 0.00 H new ATOM 0 HA THR A 50 -6.127 -5.505 -1.590 1.00 0.00 H new ATOM 0 HB THR A 50 -6.849 -4.583 0.524 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.507 -2.102 -1.015 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.903 -3.218 1.188 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.384 -4.573 0.157 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.505 -2.933 -0.523 1.00 0.00 H new ATOM 737 N GLY A 51 -8.538 -3.552 -2.563 1.00 0.00 N ATOM 738 CA GLY A 51 -9.912 -3.551 -3.036 1.00 0.00 C ATOM 739 C GLY A 51 -10.891 -3.346 -1.877 1.00 0.00 C ATOM 740 O GLY A 51 -12.076 -3.101 -2.097 1.00 0.00 O ATOM 0 H GLY A 51 -8.055 -2.658 -2.653 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.046 -2.760 -3.774 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.129 -4.494 -3.537 1.00 0.00 H new ATOM 744 N LEU A 52 -10.358 -3.452 -0.669 1.00 0.00 N ATOM 745 CA LEU A 52 -11.169 -3.281 0.524 1.00 0.00 C ATOM 746 C LEU A 52 -11.258 -1.792 0.866 1.00 0.00 C ATOM 747 O LEU A 52 -10.525 -0.979 0.307 1.00 0.00 O ATOM 748 CB LEU A 52 -10.630 -4.143 1.667 1.00 0.00 C ATOM 749 CG LEU A 52 -9.807 -3.411 2.729 1.00 0.00 C ATOM 750 CD1 LEU A 52 -10.179 -3.886 4.135 1.00 0.00 C ATOM 751 CD2 LEU A 52 -8.308 -3.551 2.455 1.00 0.00 C ATOM 0 H LEU A 52 -9.374 -3.654 -0.491 1.00 0.00 H new ATOM 0 HA LEU A 52 -12.186 -3.629 0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.473 -4.627 2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.014 -4.934 1.240 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.046 -2.349 2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.579 -3.350 4.871 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.236 -3.692 4.317 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.987 -4.956 4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.746 -3.021 3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.033 -4.606 2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.075 -3.126 1.479 1.00 0.00 H new ATOM 763 N PRO A 53 -12.187 -1.473 1.806 1.00 0.00 N ATOM 764 CA PRO A 53 -12.382 -0.097 2.229 1.00 0.00 C ATOM 765 C PRO A 53 -11.245 0.361 3.146 1.00 0.00 C ATOM 766 O PRO A 53 -10.694 -0.437 3.903 1.00 0.00 O ATOM 767 CB PRO A 53 -13.739 -0.083 2.913 1.00 0.00 C ATOM 768 CG PRO A 53 -14.045 -1.531 3.260 1.00 0.00 C ATOM 769 CD PRO A 53 -13.074 -2.410 2.490 1.00 0.00 C ATOM 0 HA PRO A 53 -12.364 0.605 1.396 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -13.719 0.538 3.809 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -14.504 0.331 2.256 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -13.942 -1.697 4.332 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -15.074 -1.777 2.997 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -12.517 -3.065 3.160 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -13.597 -3.050 1.780 1.00 0.00 H new ATOM 777 N PRO A 54 -10.921 1.678 3.046 1.00 0.00 N ATOM 778 CA PRO A 54 -9.860 2.251 3.857 1.00 0.00 C ATOM 779 C PRO A 54 -10.318 2.439 5.305 1.00 0.00 C ATOM 780 O PRO A 54 -9.506 2.390 6.228 1.00 0.00 O ATOM 781 CB PRO A 54 -9.505 3.561 3.172 1.00 0.00 C ATOM 782 CG PRO A 54 -10.686 3.896 2.276 1.00 0.00 C ATOM 783 CD PRO A 54 -11.552 2.652 2.161 1.00 0.00 C ATOM 0 HA PRO A 54 -8.986 1.603 3.926 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.334 4.350 3.904 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.589 3.462 2.590 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.260 4.723 2.694 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.341 4.213 1.292 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.579 2.855 2.464 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.589 2.289 1.134 1.00 0.00 H new ATOM 791 N ALA A 55 -11.617 2.650 5.458 1.00 0.00 N ATOM 792 CA ALA A 55 -12.192 2.845 6.778 1.00 0.00 C ATOM 793 C ALA A 55 -11.865 1.635 7.656 1.00 0.00 C ATOM 794 O ALA A 55 -11.633 1.779 8.856 1.00 0.00 O ATOM 795 CB ALA A 55 -13.698 3.081 6.649 1.00 0.00 C ATOM 0 H ALA A 55 -12.287 2.690 4.690 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.764 3.725 7.257 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.129 3.227 7.639 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.877 3.968 6.041 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.162 2.216 6.175 1.00 0.00 H new ATOM 801 N MET A 56 -11.858 0.471 7.025 1.00 0.00 N ATOM 802 CA MET A 56 -11.563 -0.763 7.734 1.00 0.00 C ATOM 803 C MET A 56 -10.141 -1.241 7.435 1.00 0.00 C ATOM 804 O MET A 56 -9.885 -2.443 7.382 1.00 0.00 O ATOM 805 CB MET A 56 -12.564 -1.843 7.317 1.00 0.00 C ATOM 806 CG MET A 56 -13.732 -1.918 8.302 1.00 0.00 C ATOM 807 SD MET A 56 -13.436 -3.206 9.503 1.00 0.00 S ATOM 808 CE MET A 56 -13.836 -2.328 11.004 1.00 0.00 C ATOM 0 H MET A 56 -12.052 0.356 6.030 1.00 0.00 H new ATOM 0 HA MET A 56 -11.644 -0.574 8.804 1.00 0.00 H new ATOM 0 HB2 MET A 56 -12.940 -1.628 6.317 1.00 0.00 H new ATOM 0 HB3 MET A 56 -12.062 -2.809 7.268 1.00 0.00 H new ATOM 0 HG2 MET A 56 -13.855 -0.960 8.807 1.00 0.00 H new ATOM 0 HG3 MET A 56 -14.659 -2.116 7.765 1.00 0.00 H new ATOM 0 HE1 MET A 56 -13.704 -2.991 11.859 1.00 0.00 H new ATOM 0 HE2 MET A 56 -13.177 -1.466 11.108 1.00 0.00 H new ATOM 0 HE3 MET A 56 -14.872 -1.990 10.963 1.00 0.00 H new ATOM 818 N GLN A 57 -9.254 -0.275 7.247 1.00 0.00 N ATOM 819 CA GLN A 57 -7.864 -0.583 6.954 1.00 0.00 C ATOM 820 C GLN A 57 -6.969 -0.151 8.117 1.00 0.00 C ATOM 821 O GLN A 57 -7.306 0.774 8.855 1.00 0.00 O ATOM 822 CB GLN A 57 -7.420 0.077 5.647 1.00 0.00 C ATOM 823 CG GLN A 57 -7.529 -0.901 4.475 1.00 0.00 C ATOM 824 CD GLN A 57 -6.539 -0.540 3.366 1.00 0.00 C ATOM 825 OE1 GLN A 57 -5.360 -0.845 3.426 1.00 0.00 O ATOM 826 NE2 GLN A 57 -7.083 0.127 2.351 1.00 0.00 N ATOM 0 H GLN A 57 -9.470 0.721 7.292 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.770 -1.662 6.829 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -8.036 0.955 5.451 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.391 0.424 5.742 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.336 -1.915 4.824 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.545 -0.888 4.079 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -8.078 0.351 2.363 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.505 0.414 1.561 1.00 0.00 H new ATOM 835 N LYS A 58 -5.845 -0.842 8.245 1.00 0.00 N ATOM 836 CA LYS A 58 -4.899 -0.541 9.306 1.00 0.00 C ATOM 837 C LYS A 58 -3.520 -0.283 8.695 1.00 0.00 C ATOM 838 O LYS A 58 -2.739 -1.213 8.500 1.00 0.00 O ATOM 839 CB LYS A 58 -4.906 -1.650 10.360 1.00 0.00 C ATOM 840 CG LYS A 58 -4.428 -1.122 11.714 1.00 0.00 C ATOM 841 CD LYS A 58 -5.086 -1.887 12.865 1.00 0.00 C ATOM 842 CE LYS A 58 -5.383 -0.957 14.043 1.00 0.00 C ATOM 843 NZ LYS A 58 -6.843 -0.809 14.231 1.00 0.00 N ATOM 0 H LYS A 58 -5.569 -1.609 7.632 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.192 0.368 9.831 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.913 -2.056 10.459 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.262 -2.468 10.037 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.344 -1.216 11.783 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.662 -0.061 11.797 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.011 -2.347 12.518 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.431 -2.695 13.191 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.932 -1.356 14.952 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.932 0.020 13.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.027 -0.175 15.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.265 -0.408 13.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.265 -1.740 14.422 1.00 0.00 H new ATOM 857 N VAL A 59 -3.262 0.985 8.411 1.00 0.00 N ATOM 858 CA VAL A 59 -1.991 1.378 7.826 1.00 0.00 C ATOM 859 C VAL A 59 -0.982 1.648 8.945 1.00 0.00 C ATOM 860 O VAL A 59 -1.130 2.607 9.701 1.00 0.00 O ATOM 861 CB VAL A 59 -2.190 2.578 6.898 1.00 0.00 C ATOM 862 CG1 VAL A 59 -1.011 2.728 5.935 1.00 0.00 C ATOM 863 CG2 VAL A 59 -3.511 2.467 6.135 1.00 0.00 C ATOM 0 H VAL A 59 -3.912 1.754 8.575 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.588 0.573 7.211 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.234 3.475 7.515 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.178 3.588 5.287 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.093 2.875 6.504 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.921 1.828 5.327 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.628 3.332 5.483 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.509 1.557 5.534 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.339 2.432 6.844 1.00 0.00 H new ATOM 873 N MET A 60 0.020 0.785 9.014 1.00 0.00 N ATOM 874 CA MET A 60 1.053 0.918 10.028 1.00 0.00 C ATOM 875 C MET A 60 2.387 0.361 9.527 1.00 0.00 C ATOM 876 O MET A 60 2.482 -0.815 9.180 1.00 0.00 O ATOM 877 CB MET A 60 0.628 0.168 11.292 1.00 0.00 C ATOM 878 CG MET A 60 0.096 1.136 12.350 1.00 0.00 C ATOM 879 SD MET A 60 -0.007 0.315 13.932 1.00 0.00 S ATOM 880 CE MET A 60 1.730 0.136 14.301 1.00 0.00 C ATOM 0 H MET A 60 0.139 -0.009 8.385 1.00 0.00 H new ATOM 0 HA MET A 60 1.183 1.977 10.251 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.141 -0.564 11.044 1.00 0.00 H new ATOM 0 HB3 MET A 60 1.477 -0.385 11.694 1.00 0.00 H new ATOM 0 HG2 MET A 60 0.752 2.004 12.423 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.887 1.503 12.057 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.878 0.174 15.380 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.086 -0.821 13.919 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.287 0.945 13.830 1.00 0.00 H new ATOM 890 N TYR A 61 3.386 1.232 9.506 1.00 0.00 N ATOM 891 CA TYR A 61 4.710 0.841 9.054 1.00 0.00 C ATOM 892 C TYR A 61 5.773 1.202 10.094 1.00 0.00 C ATOM 893 O TYR A 61 6.185 2.357 10.192 1.00 0.00 O ATOM 894 CB TYR A 61 4.972 1.641 7.776 1.00 0.00 C ATOM 895 CG TYR A 61 6.456 1.826 7.452 1.00 0.00 C ATOM 896 CD1 TYR A 61 7.374 0.877 7.854 1.00 0.00 C ATOM 897 CD2 TYR A 61 6.876 2.942 6.757 1.00 0.00 C ATOM 898 CE1 TYR A 61 8.770 1.051 7.548 1.00 0.00 C ATOM 899 CE2 TYR A 61 8.273 3.116 6.451 1.00 0.00 C ATOM 900 CZ TYR A 61 9.151 2.162 6.862 1.00 0.00 C ATOM 901 OH TYR A 61 10.470 2.327 6.573 1.00 0.00 O ATOM 0 H TYR A 61 3.304 2.207 9.795 1.00 0.00 H new ATOM 0 HA TYR A 61 4.758 -0.236 8.891 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.488 1.138 6.939 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.506 2.622 7.871 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.045 0.004 8.398 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.158 3.685 6.443 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.499 0.316 7.856 1.00 0.00 H new ATOM 0 HE2 TYR A 61 8.615 3.984 5.908 1.00 0.00 H new ATOM 0 HH TYR A 61 10.594 3.164 6.079 1.00 0.00 H new ATOM 911 N LYS A 62 6.187 0.191 10.845 1.00 0.00 N ATOM 912 CA LYS A 62 7.194 0.387 11.874 1.00 0.00 C ATOM 913 C LYS A 62 6.837 1.623 12.702 1.00 0.00 C ATOM 914 O LYS A 62 7.714 2.257 13.287 1.00 0.00 O ATOM 915 CB LYS A 62 8.591 0.445 11.253 1.00 0.00 C ATOM 916 CG LYS A 62 9.099 -0.958 10.915 1.00 0.00 C ATOM 917 CD LYS A 62 9.790 -1.596 12.122 1.00 0.00 C ATOM 918 CE LYS A 62 11.295 -1.317 12.103 1.00 0.00 C ATOM 919 NZ LYS A 62 11.824 -1.231 13.482 1.00 0.00 N ATOM 0 H LYS A 62 5.843 -0.766 10.761 1.00 0.00 H new ATOM 0 HA LYS A 62 7.210 -0.462 12.558 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.566 1.054 10.349 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.281 0.929 11.945 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.265 -1.584 10.596 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.796 -0.905 10.079 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.356 -1.206 13.042 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.616 -2.672 12.119 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.810 -2.108 11.558 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.491 -0.385 11.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.846 -1.041 13.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.344 -0.461 13.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.654 -2.130 13.976 1.00 0.00 H new ATOM 933 N GLY A 63 5.548 1.930 12.724 1.00 0.00 N ATOM 934 CA GLY A 63 5.065 3.079 13.471 1.00 0.00 C ATOM 935 C GLY A 63 3.834 3.691 12.799 1.00 0.00 C ATOM 936 O GLY A 63 3.655 3.564 11.588 1.00 0.00 O ATOM 0 H GLY A 63 4.823 1.403 12.236 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.816 2.777 14.489 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.854 3.828 13.544 1.00 0.00 H new ATOM 940 N LEU A 64 3.016 4.341 13.614 1.00 0.00 N ATOM 941 CA LEU A 64 1.807 4.973 13.113 1.00 0.00 C ATOM 942 C LEU A 64 2.168 5.918 11.966 1.00 0.00 C ATOM 943 O LEU A 64 3.185 6.608 12.022 1.00 0.00 O ATOM 944 CB LEU A 64 1.046 5.652 14.254 1.00 0.00 C ATOM 945 CG LEU A 64 0.270 4.723 15.189 1.00 0.00 C ATOM 946 CD1 LEU A 64 -1.152 4.490 14.675 1.00 0.00 C ATOM 947 CD2 LEU A 64 1.024 3.409 15.407 1.00 0.00 C ATOM 0 H LEU A 64 3.167 4.444 14.618 1.00 0.00 H new ATOM 0 HA LEU A 64 1.126 4.225 12.707 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.758 6.223 14.850 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.346 6.368 13.822 1.00 0.00 H new ATOM 0 HG LEU A 64 0.185 5.210 16.160 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.682 3.826 15.358 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.678 5.443 14.614 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.111 4.035 13.685 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.450 2.767 16.075 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.162 2.906 14.450 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.997 3.617 15.851 1.00 0.00 H new ATOM 959 N VAL A 65 1.315 5.919 10.952 1.00 0.00 N ATOM 960 CA VAL A 65 1.532 6.768 9.793 1.00 0.00 C ATOM 961 C VAL A 65 0.652 8.015 9.908 1.00 0.00 C ATOM 962 O VAL A 65 -0.573 7.921 9.850 1.00 0.00 O ATOM 963 CB VAL A 65 1.281 5.975 8.509 1.00 0.00 C ATOM 964 CG1 VAL A 65 1.053 6.913 7.321 1.00 0.00 C ATOM 965 CG2 VAL A 65 2.431 5.006 8.229 1.00 0.00 C ATOM 0 H VAL A 65 0.473 5.346 10.909 1.00 0.00 H new ATOM 0 HA VAL A 65 2.568 7.104 9.754 1.00 0.00 H new ATOM 0 HB VAL A 65 0.374 5.387 8.651 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.877 6.324 6.421 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.186 7.544 7.517 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.933 7.540 7.178 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.227 4.455 7.311 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.360 5.566 8.118 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.527 4.306 9.059 1.00 0.00 H new ATOM 975 N PRO A 66 1.328 9.183 10.074 1.00 0.00 N ATOM 976 CA PRO A 66 0.621 10.446 10.197 1.00 0.00 C ATOM 977 C PRO A 66 0.085 10.909 8.841 1.00 0.00 C ATOM 978 O PRO A 66 0.857 11.277 7.957 1.00 0.00 O ATOM 979 CB PRO A 66 1.636 11.408 10.794 1.00 0.00 C ATOM 980 CG PRO A 66 2.999 10.780 10.552 1.00 0.00 C ATOM 981 CD PRO A 66 2.779 9.331 10.147 1.00 0.00 C ATOM 0 HA PRO A 66 -0.262 10.374 10.832 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.569 12.389 10.323 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.457 11.553 11.859 1.00 0.00 H new ATOM 0 HG2 PRO A 66 3.534 11.318 9.769 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.611 10.836 11.453 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.248 9.112 9.188 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.211 8.646 10.877 1.00 0.00 H new ATOM 989 N GLU A 67 -1.234 10.875 8.720 1.00 0.00 N ATOM 990 CA GLU A 67 -1.883 11.287 7.487 1.00 0.00 C ATOM 991 C GLU A 67 -1.629 12.773 7.224 1.00 0.00 C ATOM 992 O GLU A 67 -1.850 13.257 6.115 1.00 0.00 O ATOM 993 CB GLU A 67 -3.382 10.986 7.529 1.00 0.00 C ATOM 994 CG GLU A 67 -3.637 9.479 7.595 1.00 0.00 C ATOM 995 CD GLU A 67 -5.121 9.164 7.389 1.00 0.00 C ATOM 996 OE1 GLU A 67 -5.871 9.288 8.381 1.00 0.00 O ATOM 997 OE2 GLU A 67 -5.470 8.807 6.243 1.00 0.00 O ATOM 0 H GLU A 67 -1.871 10.569 9.456 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.454 10.714 6.665 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.830 11.473 8.395 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.865 11.402 6.645 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.045 8.973 6.833 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.310 9.093 8.561 1.00 0.00 H new ATOM 1004 N ASP A 68 -1.169 13.454 8.262 1.00 0.00 N ATOM 1005 CA ASP A 68 -0.883 14.875 8.157 1.00 0.00 C ATOM 1006 C ASP A 68 0.520 15.067 7.577 1.00 0.00 C ATOM 1007 O ASP A 68 0.979 16.196 7.413 1.00 0.00 O ATOM 1008 CB ASP A 68 -0.922 15.548 9.531 1.00 0.00 C ATOM 1009 CG ASP A 68 -2.299 16.055 9.963 1.00 0.00 C ATOM 1010 OD1 ASP A 68 -2.828 16.937 9.252 1.00 0.00 O ATOM 1011 OD2 ASP A 68 -2.792 15.549 10.995 1.00 0.00 O ATOM 0 H ASP A 68 -0.987 13.049 9.180 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.639 15.324 7.513 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.562 14.839 10.277 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.227 16.388 9.528 1.00 0.00 H new ATOM 1016 N LYS A 69 1.162 13.946 7.282 1.00 0.00 N ATOM 1017 CA LYS A 69 2.503 13.977 6.723 1.00 0.00 C ATOM 1018 C LYS A 69 2.598 12.963 5.581 1.00 0.00 C ATOM 1019 O LYS A 69 1.907 11.946 5.590 1.00 0.00 O ATOM 1020 CB LYS A 69 3.546 13.764 7.822 1.00 0.00 C ATOM 1021 CG LYS A 69 3.540 14.927 8.816 1.00 0.00 C ATOM 1022 CD LYS A 69 4.742 15.846 8.593 1.00 0.00 C ATOM 1023 CE LYS A 69 4.741 17.004 9.593 1.00 0.00 C ATOM 1024 NZ LYS A 69 5.558 16.664 10.780 1.00 0.00 N ATOM 0 H LYS A 69 0.779 13.011 7.420 1.00 0.00 H new ATOM 0 HA LYS A 69 2.716 14.958 6.298 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.341 12.831 8.347 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.536 13.668 7.375 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.617 15.497 8.708 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.558 14.539 9.835 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.665 15.275 8.694 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.720 16.239 7.576 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.135 17.903 9.118 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.719 17.227 9.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.547 17.460 11.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.165 15.819 11.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.537 16.474 10.485 1.00 0.00 H new ATOM 1038 N THR A 70 3.460 13.277 4.625 1.00 0.00 N ATOM 1039 CA THR A 70 3.655 12.406 3.478 1.00 0.00 C ATOM 1040 C THR A 70 4.672 11.311 3.805 1.00 0.00 C ATOM 1041 O THR A 70 5.397 11.408 4.795 1.00 0.00 O ATOM 1042 CB THR A 70 4.061 13.276 2.287 1.00 0.00 C ATOM 1043 OG1 THR A 70 5.292 13.868 2.693 1.00 0.00 O ATOM 1044 CG2 THR A 70 3.124 14.469 2.086 1.00 0.00 C ATOM 0 H THR A 70 4.031 14.122 4.621 1.00 0.00 H new ATOM 0 HA THR A 70 2.735 11.883 3.218 1.00 0.00 H new ATOM 0 HB THR A 70 4.074 12.668 1.382 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.628 14.448 1.978 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.457 15.053 1.228 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.110 14.110 1.908 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.136 15.095 2.978 1.00 0.00 H new ATOM 1052 N LEU A 71 4.694 10.295 2.956 1.00 0.00 N ATOM 1053 CA LEU A 71 5.610 9.183 3.143 1.00 0.00 C ATOM 1054 C LEU A 71 7.014 9.726 3.419 1.00 0.00 C ATOM 1055 O LEU A 71 7.616 9.407 4.443 1.00 0.00 O ATOM 1056 CB LEU A 71 5.544 8.227 1.950 1.00 0.00 C ATOM 1057 CG LEU A 71 4.164 7.647 1.632 1.00 0.00 C ATOM 1058 CD1 LEU A 71 3.945 7.550 0.121 1.00 0.00 C ATOM 1059 CD2 LEU A 71 3.963 6.299 2.328 1.00 0.00 C ATOM 0 H LEU A 71 4.092 10.218 2.136 1.00 0.00 H new ATOM 0 HA LEU A 71 5.319 8.592 4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.907 8.753 1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.230 7.400 2.133 1.00 0.00 H new ATOM 0 HG LEU A 71 3.408 8.328 2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.957 7.135 -0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.017 8.544 -0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.705 6.902 -0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.975 5.908 2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.724 5.597 1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.047 6.430 3.407 1.00 0.00 H new ATOM 1071 N ARG A 72 7.494 10.536 2.487 1.00 0.00 N ATOM 1072 CA ARG A 72 8.815 11.126 2.617 1.00 0.00 C ATOM 1073 C ARG A 72 8.944 11.851 3.958 1.00 0.00 C ATOM 1074 O ARG A 72 10.052 12.105 4.427 1.00 0.00 O ATOM 1075 CB ARG A 72 9.091 12.115 1.482 1.00 0.00 C ATOM 1076 CG ARG A 72 10.548 12.583 1.505 1.00 0.00 C ATOM 1077 CD ARG A 72 10.639 14.099 1.317 1.00 0.00 C ATOM 1078 NE ARG A 72 11.195 14.410 -0.019 1.00 0.00 N ATOM 1079 CZ ARG A 72 11.277 15.646 -0.529 1.00 0.00 C ATOM 1080 NH1 ARG A 72 10.840 16.695 0.181 1.00 0.00 N ATOM 1081 NH2 ARG A 72 11.797 15.834 -1.750 1.00 0.00 N ATOM 0 H ARG A 72 6.992 10.797 1.639 1.00 0.00 H new ATOM 0 HA ARG A 72 9.545 10.318 2.566 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.871 11.645 0.524 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.428 12.975 1.575 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.009 12.302 2.452 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.108 12.081 0.716 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.651 14.547 1.422 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.270 14.533 2.093 1.00 0.00 H new ATOM 0 HE ARG A 72 11.537 13.635 -0.587 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.445 16.553 1.110 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.903 17.636 -0.208 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.130 15.036 -2.291 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.859 16.775 -2.138 1.00 0.00 H new ATOM 1095 N GLU A 73 7.794 12.163 4.538 1.00 0.00 N ATOM 1096 CA GLU A 73 7.764 12.853 5.817 1.00 0.00 C ATOM 1097 C GLU A 73 7.632 11.846 6.961 1.00 0.00 C ATOM 1098 O GLU A 73 8.211 12.035 8.029 1.00 0.00 O ATOM 1099 CB GLU A 73 6.632 13.882 5.858 1.00 0.00 C ATOM 1100 CG GLU A 73 6.808 14.934 4.761 1.00 0.00 C ATOM 1101 CD GLU A 73 7.767 16.039 5.210 1.00 0.00 C ATOM 1102 OE1 GLU A 73 8.857 15.678 5.704 1.00 0.00 O ATOM 1103 OE2 GLU A 73 7.389 17.219 5.048 1.00 0.00 O ATOM 0 H GLU A 73 6.877 11.951 4.146 1.00 0.00 H new ATOM 0 HA GLU A 73 8.704 13.391 5.940 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.673 13.379 5.734 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.613 14.368 6.833 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.190 14.461 3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.840 15.368 4.509 1.00 0.00 H new ATOM 1110 N ILE A 74 6.865 10.798 6.698 1.00 0.00 N ATOM 1111 CA ILE A 74 6.649 9.761 7.692 1.00 0.00 C ATOM 1112 C ILE A 74 7.889 8.867 7.768 1.00 0.00 C ATOM 1113 O ILE A 74 7.941 7.938 8.574 1.00 0.00 O ATOM 1114 CB ILE A 74 5.357 8.996 7.398 1.00 0.00 C ATOM 1115 CG1 ILE A 74 5.623 7.803 6.478 1.00 0.00 C ATOM 1116 CG2 ILE A 74 4.285 9.930 6.831 1.00 0.00 C ATOM 1117 CD1 ILE A 74 5.699 6.501 7.278 1.00 0.00 C ATOM 0 H ILE A 74 6.386 10.645 5.811 1.00 0.00 H new ATOM 0 HA ILE A 74 6.512 10.203 8.679 1.00 0.00 H new ATOM 0 HB ILE A 74 4.974 8.598 8.338 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.831 7.730 5.732 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.557 7.957 5.937 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.377 9.362 6.630 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.069 10.717 7.554 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.645 10.377 5.905 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.889 5.668 6.601 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.507 6.568 8.006 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.755 6.338 7.798 1.00 0.00 H new ATOM 1129 N LYS A 75 8.856 9.178 6.918 1.00 0.00 N ATOM 1130 CA LYS A 75 10.092 8.414 6.878 1.00 0.00 C ATOM 1131 C LYS A 75 9.870 7.136 6.067 1.00 0.00 C ATOM 1132 O LYS A 75 9.711 6.056 6.635 1.00 0.00 O ATOM 1133 CB LYS A 75 10.611 8.161 8.295 1.00 0.00 C ATOM 1134 CG LYS A 75 10.485 9.418 9.158 1.00 0.00 C ATOM 1135 CD LYS A 75 11.511 9.409 10.293 1.00 0.00 C ATOM 1136 CE LYS A 75 11.158 10.449 11.358 1.00 0.00 C ATOM 1137 NZ LYS A 75 9.980 10.012 12.140 1.00 0.00 N ATOM 0 H LYS A 75 8.809 9.949 6.251 1.00 0.00 H new ATOM 0 HA LYS A 75 10.874 8.981 6.373 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.051 7.345 8.751 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.654 7.847 8.253 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.629 10.304 8.540 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.479 9.479 9.573 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.550 8.418 10.746 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.504 9.615 9.893 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.008 10.599 12.024 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.951 11.408 10.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.935 10.550 13.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.115 10.181 11.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.062 8.997 12.353 1.00 0.00 H new ATOM 1151 N VAL A 76 9.868 7.300 4.753 1.00 0.00 N ATOM 1152 CA VAL A 76 9.669 6.173 3.858 1.00 0.00 C ATOM 1153 C VAL A 76 10.866 6.060 2.911 1.00 0.00 C ATOM 1154 O VAL A 76 11.503 7.062 2.589 1.00 0.00 O ATOM 1155 CB VAL A 76 8.336 6.318 3.121 1.00 0.00 C ATOM 1156 CG1 VAL A 76 8.281 5.399 1.899 1.00 0.00 C ATOM 1157 CG2 VAL A 76 7.158 6.053 4.061 1.00 0.00 C ATOM 0 H VAL A 76 10.001 8.197 4.286 1.00 0.00 H new ATOM 0 HA VAL A 76 9.613 5.243 4.424 1.00 0.00 H new ATOM 0 HB VAL A 76 8.259 7.347 2.769 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.323 5.522 1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.088 5.656 1.214 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.392 4.363 2.218 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.223 6.163 3.512 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.230 5.040 4.457 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.181 6.767 4.884 1.00 0.00 H new ATOM 1167 N THR A 77 11.135 4.832 2.493 1.00 0.00 N ATOM 1168 CA THR A 77 12.245 4.576 1.590 1.00 0.00 C ATOM 1169 C THR A 77 11.830 3.581 0.505 1.00 0.00 C ATOM 1170 O THR A 77 10.680 3.145 0.464 1.00 0.00 O ATOM 1171 CB THR A 77 13.435 4.103 2.426 1.00 0.00 C ATOM 1172 OG1 THR A 77 12.965 2.916 3.059 1.00 0.00 O ATOM 1173 CG2 THR A 77 13.746 5.047 3.589 1.00 0.00 C ATOM 0 H THR A 77 10.604 4.004 2.762 1.00 0.00 H new ATOM 0 HA THR A 77 12.542 5.481 1.060 1.00 0.00 H new ATOM 0 HB THR A 77 14.314 4.012 1.787 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.675 2.541 3.621 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.599 4.665 4.150 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.982 6.038 3.200 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.879 5.112 4.247 1.00 0.00 H new ATOM 1181 N SER A 78 12.789 3.250 -0.347 1.00 0.00 N ATOM 1182 CA SER A 78 12.538 2.313 -1.430 1.00 0.00 C ATOM 1183 C SER A 78 12.688 0.877 -0.925 1.00 0.00 C ATOM 1184 O SER A 78 13.804 0.398 -0.726 1.00 0.00 O ATOM 1185 CB SER A 78 13.484 2.564 -2.605 1.00 0.00 C ATOM 1186 OG SER A 78 13.450 1.502 -3.554 1.00 0.00 O ATOM 0 H SER A 78 13.741 3.614 -0.310 1.00 0.00 H new ATOM 0 HA SER A 78 11.517 2.462 -1.782 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.212 3.498 -3.096 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.501 2.685 -2.232 1.00 0.00 H new ATOM 0 HG SER A 78 14.066 1.701 -4.290 1.00 0.00 H new ATOM 1192 N GLY A 79 11.549 0.229 -0.731 1.00 0.00 N ATOM 1193 CA GLY A 79 11.539 -1.143 -0.253 1.00 0.00 C ATOM 1194 C GLY A 79 10.890 -1.237 1.129 1.00 0.00 C ATOM 1195 O GLY A 79 11.095 -2.213 1.850 1.00 0.00 O ATOM 0 H GLY A 79 10.626 0.629 -0.896 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.996 -1.773 -0.957 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.560 -1.523 -0.206 1.00 0.00 H new ATOM 1199 N ALA A 80 10.121 -0.210 1.458 1.00 0.00 N ATOM 1200 CA ALA A 80 9.441 -0.165 2.741 1.00 0.00 C ATOM 1201 C ALA A 80 8.479 -1.350 2.846 1.00 0.00 C ATOM 1202 O ALA A 80 8.387 -2.162 1.926 1.00 0.00 O ATOM 1203 CB ALA A 80 8.727 1.180 2.894 1.00 0.00 C ATOM 0 H ALA A 80 9.954 0.598 0.858 1.00 0.00 H new ATOM 0 HA ALA A 80 10.158 -0.249 3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.217 1.214 3.857 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.457 1.988 2.842 1.00 0.00 H new ATOM 0 HB3 ALA A 80 7.998 1.298 2.093 1.00 0.00 H new ATOM 1209 N LYS A 81 7.788 -1.413 3.975 1.00 0.00 N ATOM 1210 CA LYS A 81 6.837 -2.485 4.211 1.00 0.00 C ATOM 1211 C LYS A 81 5.517 -1.891 4.706 1.00 0.00 C ATOM 1212 O LYS A 81 5.514 -0.977 5.530 1.00 0.00 O ATOM 1213 CB LYS A 81 7.433 -3.531 5.156 1.00 0.00 C ATOM 1214 CG LYS A 81 6.553 -4.781 5.216 1.00 0.00 C ATOM 1215 CD LYS A 81 7.311 -6.011 4.714 1.00 0.00 C ATOM 1216 CE LYS A 81 7.678 -6.940 5.874 1.00 0.00 C ATOM 1217 NZ LYS A 81 6.536 -7.816 6.218 1.00 0.00 N ATOM 0 H LYS A 81 7.868 -0.739 4.736 1.00 0.00 H new ATOM 0 HA LYS A 81 6.621 -3.013 3.282 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.434 -3.802 4.819 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.537 -3.107 6.155 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.221 -4.947 6.241 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.658 -4.629 4.612 1.00 0.00 H new ATOM 0 HD2 LYS A 81 6.699 -6.550 3.991 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.216 -5.698 4.194 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.541 -7.548 5.602 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.966 -6.349 6.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.676 -8.212 7.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.656 -7.262 6.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.472 -8.590 5.527 1.00 0.00 H new ATOM 1231 N ILE A 82 4.427 -2.434 4.184 1.00 0.00 N ATOM 1232 CA ILE A 82 3.104 -1.969 4.562 1.00 0.00 C ATOM 1233 C ILE A 82 2.232 -3.170 4.931 1.00 0.00 C ATOM 1234 O ILE A 82 2.107 -4.114 4.151 1.00 0.00 O ATOM 1235 CB ILE A 82 2.509 -1.091 3.459 1.00 0.00 C ATOM 1236 CG1 ILE A 82 3.503 -0.017 3.017 1.00 0.00 C ATOM 1237 CG2 ILE A 82 1.172 -0.490 3.899 1.00 0.00 C ATOM 1238 CD1 ILE A 82 3.389 1.231 3.894 1.00 0.00 C ATOM 0 H ILE A 82 4.433 -3.192 3.502 1.00 0.00 H new ATOM 0 HA ILE A 82 3.161 -1.334 5.446 1.00 0.00 H new ATOM 0 HB ILE A 82 2.309 -1.720 2.591 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.518 -0.412 3.070 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.318 0.248 1.976 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.770 0.130 3.097 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.469 -1.292 4.125 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.323 0.121 4.789 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.107 1.979 3.558 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.380 1.637 3.819 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.598 0.967 4.931 1.00 0.00 H new ATOM 1250 N MET A 83 1.650 -3.097 6.119 1.00 0.00 N ATOM 1251 CA MET A 83 0.793 -4.167 6.600 1.00 0.00 C ATOM 1252 C MET A 83 -0.647 -3.680 6.772 1.00 0.00 C ATOM 1253 O MET A 83 -0.912 -2.785 7.573 1.00 0.00 O ATOM 1254 CB MET A 83 1.322 -4.682 7.940 1.00 0.00 C ATOM 1255 CG MET A 83 0.974 -6.159 8.136 1.00 0.00 C ATOM 1256 SD MET A 83 2.260 -6.970 9.071 1.00 0.00 S ATOM 1257 CE MET A 83 3.472 -7.216 7.783 1.00 0.00 C ATOM 0 H MET A 83 1.755 -2.313 6.763 1.00 0.00 H new ATOM 0 HA MET A 83 0.799 -4.971 5.864 1.00 0.00 H new ATOM 0 HB2 MET A 83 2.403 -4.551 7.983 1.00 0.00 H new ATOM 0 HB3 MET A 83 0.897 -4.094 8.753 1.00 0.00 H new ATOM 0 HG2 MET A 83 0.021 -6.251 8.657 1.00 0.00 H new ATOM 0 HG3 MET A 83 0.856 -6.645 7.168 1.00 0.00 H new ATOM 0 HE1 MET A 83 4.471 -7.058 8.189 1.00 0.00 H new ATOM 0 HE2 MET A 83 3.393 -8.233 7.399 1.00 0.00 H new ATOM 0 HE3 MET A 83 3.292 -6.508 6.974 1.00 0.00 H new ATOM 1267 N VAL A 84 -1.540 -4.292 6.008 1.00 0.00 N ATOM 1268 CA VAL A 84 -2.947 -3.932 6.066 1.00 0.00 C ATOM 1269 C VAL A 84 -3.728 -5.055 6.751 1.00 0.00 C ATOM 1270 O VAL A 84 -3.273 -6.197 6.794 1.00 0.00 O ATOM 1271 CB VAL A 84 -3.464 -3.615 4.662 1.00 0.00 C ATOM 1272 CG1 VAL A 84 -4.957 -3.280 4.690 1.00 0.00 C ATOM 1273 CG2 VAL A 84 -2.660 -2.481 4.024 1.00 0.00 C ATOM 0 H VAL A 84 -1.317 -5.035 5.346 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.086 -3.029 6.661 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.332 -4.506 4.048 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.299 -3.059 3.679 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.513 -4.131 5.083 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.123 -2.412 5.328 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.049 -2.276 3.026 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.745 -1.584 4.638 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.612 -2.773 3.952 1.00 0.00 H new ATOM 1283 N VAL A 85 -4.891 -4.692 7.271 1.00 0.00 N ATOM 1284 CA VAL A 85 -5.740 -5.654 7.953 1.00 0.00 C ATOM 1285 C VAL A 85 -7.206 -5.339 7.650 1.00 0.00 C ATOM 1286 O VAL A 85 -7.517 -4.283 7.101 1.00 0.00 O ATOM 1287 CB VAL A 85 -5.427 -5.660 9.450 1.00 0.00 C ATOM 1288 CG1 VAL A 85 -6.105 -4.485 10.157 1.00 0.00 C ATOM 1289 CG2 VAL A 85 -5.830 -6.991 10.089 1.00 0.00 C ATOM 0 H VAL A 85 -5.266 -3.744 7.234 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.542 -6.662 7.590 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.349 -5.545 9.567 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.866 -4.513 11.220 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.748 -3.548 9.729 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.185 -4.555 10.026 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.597 -6.969 11.154 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.900 -7.150 9.955 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.281 -7.804 9.614 1.00 0.00 H new ATOM 1299 N GLY A 86 -8.068 -6.274 8.021 1.00 0.00 N ATOM 1300 CA GLY A 86 -9.494 -6.109 7.796 1.00 0.00 C ATOM 1301 C GLY A 86 -9.950 -6.896 6.565 1.00 0.00 C ATOM 1302 O GLY A 86 -9.261 -6.916 5.547 1.00 0.00 O ATOM 0 H GLY A 86 -7.806 -7.149 8.476 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -10.046 -6.447 8.673 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.725 -5.052 7.662 1.00 0.00 H new ATOM 1306 N SER A 87 -11.108 -7.526 6.700 1.00 0.00 N ATOM 1307 CA SER A 87 -11.664 -8.312 5.612 1.00 0.00 C ATOM 1308 C SER A 87 -13.062 -7.803 5.259 1.00 0.00 C ATOM 1309 O SER A 87 -13.957 -7.798 6.104 1.00 0.00 O ATOM 1310 CB SER A 87 -11.716 -9.797 5.977 1.00 0.00 C ATOM 1311 OG SER A 87 -10.504 -10.471 5.649 1.00 0.00 O ATOM 0 H SER A 87 -11.676 -7.508 7.547 1.00 0.00 H new ATOM 0 HA SER A 87 -11.015 -8.201 4.743 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.911 -9.901 7.044 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.547 -10.270 5.453 1.00 0.00 H new ATOM 0 HG SER A 87 -10.577 -11.416 5.899 1.00 0.00 H new ATOM 1317 N THR A 88 -13.208 -7.386 4.010 1.00 0.00 N ATOM 1318 CA THR A 88 -14.483 -6.876 3.535 1.00 0.00 C ATOM 1319 C THR A 88 -14.750 -7.353 2.107 1.00 0.00 C ATOM 1320 O THR A 88 -14.002 -7.022 1.188 1.00 0.00 O ATOM 1321 CB THR A 88 -14.463 -5.352 3.673 1.00 0.00 C ATOM 1322 OG1 THR A 88 -14.338 -5.132 5.075 1.00 0.00 O ATOM 1323 CG2 THR A 88 -15.807 -4.714 3.314 1.00 0.00 C ATOM 0 H THR A 88 -12.464 -7.391 3.312 1.00 0.00 H new ATOM 0 HA THR A 88 -15.310 -7.261 4.132 1.00 0.00 H new ATOM 0 HB THR A 88 -13.683 -4.940 3.033 1.00 0.00 H new ATOM 0 HG1 THR A 88 -14.316 -4.169 5.254 1.00 0.00 H new ATOM 0 HG21 THR A 88 -15.738 -3.632 3.429 1.00 0.00 H new ATOM 0 HG22 THR A 88 -16.059 -4.954 2.281 1.00 0.00 H new ATOM 0 HG23 THR A 88 -16.582 -5.101 3.976 1.00 0.00 H new ATOM 1331 N ILE A 89 -15.818 -8.124 1.964 1.00 0.00 N ATOM 1332 CA ILE A 89 -16.193 -8.651 0.663 1.00 0.00 C ATOM 1333 C ILE A 89 -17.048 -7.618 -0.073 1.00 0.00 C ATOM 1334 O ILE A 89 -18.218 -7.427 0.256 1.00 0.00 O ATOM 1335 CB ILE A 89 -16.869 -10.015 0.811 1.00 0.00 C ATOM 1336 CG1 ILE A 89 -16.028 -10.951 1.683 1.00 0.00 C ATOM 1337 CG2 ILE A 89 -17.175 -10.627 -0.557 1.00 0.00 C ATOM 1338 CD1 ILE A 89 -16.798 -11.370 2.937 1.00 0.00 C ATOM 0 H ILE A 89 -16.436 -8.397 2.728 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.307 -8.826 0.053 1.00 0.00 H new ATOM 0 HB ILE A 89 -17.823 -9.871 1.319 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -15.750 -11.836 1.110 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -15.102 -10.453 1.970 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -17.655 -11.596 -0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -17.841 -9.965 -1.111 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -16.247 -10.756 -1.114 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -16.179 -12.035 3.539 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -17.054 -10.485 3.520 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -17.711 -11.889 2.647 1.00 0.00 H new ATOM 1350 N SER A 90 -16.432 -6.978 -1.056 1.00 0.00 N ATOM 1351 CA SER A 90 -17.122 -5.970 -1.842 1.00 0.00 C ATOM 1352 C SER A 90 -16.633 -6.010 -3.291 1.00 0.00 C ATOM 1353 O SER A 90 -17.403 -6.313 -4.202 1.00 0.00 O ATOM 1354 CB SER A 90 -16.915 -4.574 -1.250 1.00 0.00 C ATOM 1355 OG SER A 90 -18.100 -3.784 -1.318 1.00 0.00 O ATOM 0 H SER A 90 -15.462 -7.138 -1.326 1.00 0.00 H new ATOM 0 HA SER A 90 -18.189 -6.190 -1.820 1.00 0.00 H new ATOM 0 HB2 SER A 90 -16.599 -4.664 -0.211 1.00 0.00 H new ATOM 0 HB3 SER A 90 -16.111 -4.069 -1.785 1.00 0.00 H new ATOM 0 HG SER A 90 -17.927 -2.901 -0.929 1.00 0.00 H new ATOM 1361 N GLY A 91 -15.356 -5.699 -3.460 1.00 0.00 N ATOM 1362 CA GLY A 91 -14.756 -5.696 -4.783 1.00 0.00 C ATOM 1363 C GLY A 91 -15.543 -4.799 -5.741 1.00 0.00 C ATOM 1364 O GLY A 91 -16.549 -5.222 -6.308 1.00 0.00 O ATOM 0 H GLY A 91 -14.721 -5.447 -2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.725 -5.348 -4.718 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -14.725 -6.713 -5.174 1.00 0.00 H new ATOM 1368 N PRO A 92 -15.042 -3.544 -5.895 1.00 0.00 N ATOM 1369 CA PRO A 92 -15.687 -2.584 -6.774 1.00 0.00 C ATOM 1370 C PRO A 92 -15.411 -2.912 -8.242 1.00 0.00 C ATOM 1371 O PRO A 92 -14.263 -2.879 -8.684 1.00 0.00 O ATOM 1372 CB PRO A 92 -15.134 -1.232 -6.353 1.00 0.00 C ATOM 1373 CG PRO A 92 -13.861 -1.526 -5.576 1.00 0.00 C ATOM 1374 CD PRO A 92 -13.853 -3.008 -5.240 1.00 0.00 C ATOM 0 HA PRO A 92 -16.774 -2.599 -6.688 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -14.926 -0.607 -7.222 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -15.852 -0.691 -5.736 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.984 -1.264 -6.167 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -13.822 -0.928 -4.666 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -12.947 -3.492 -5.606 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -13.888 -3.170 -4.163 1.00 0.00 H new ATOM 1382 N SER A 93 -16.482 -3.222 -8.958 1.00 0.00 N ATOM 1383 CA SER A 93 -16.369 -3.556 -10.368 1.00 0.00 C ATOM 1384 C SER A 93 -16.674 -2.325 -11.224 1.00 0.00 C ATOM 1385 O SER A 93 -15.820 -1.862 -11.978 1.00 0.00 O ATOM 1386 CB SER A 93 -17.308 -4.706 -10.738 1.00 0.00 C ATOM 1387 OG SER A 93 -17.135 -5.122 -12.090 1.00 0.00 O ATOM 0 H SER A 93 -17.432 -3.249 -8.588 1.00 0.00 H new ATOM 0 HA SER A 93 -15.347 -3.881 -10.562 1.00 0.00 H new ATOM 0 HB2 SER A 93 -17.127 -5.550 -10.073 1.00 0.00 H new ATOM 0 HB3 SER A 93 -18.341 -4.395 -10.584 1.00 0.00 H new ATOM 0 HG SER A 93 -17.751 -5.859 -12.287 1.00 0.00 H new ATOM 1393 N SER A 94 -17.894 -1.830 -11.077 1.00 0.00 N ATOM 1394 CA SER A 94 -18.323 -0.662 -11.828 1.00 0.00 C ATOM 1395 C SER A 94 -18.343 -0.980 -13.324 1.00 0.00 C ATOM 1396 O SER A 94 -17.298 -0.995 -13.973 1.00 0.00 O ATOM 1397 CB SER A 94 -17.411 0.535 -11.552 1.00 0.00 C ATOM 1398 OG SER A 94 -18.098 1.586 -10.878 1.00 0.00 O ATOM 0 H SER A 94 -18.599 -2.216 -10.449 1.00 0.00 H new ATOM 0 HA SER A 94 -19.331 -0.399 -11.506 1.00 0.00 H new ATOM 0 HB2 SER A 94 -16.562 0.212 -10.950 1.00 0.00 H new ATOM 0 HB3 SER A 94 -17.010 0.910 -12.494 1.00 0.00 H new ATOM 0 HG SER A 94 -17.481 2.331 -10.719 1.00 0.00 H new ATOM 1404 N GLY A 95 -19.544 -1.225 -13.828 1.00 0.00 N ATOM 1405 CA GLY A 95 -19.714 -1.542 -15.236 1.00 0.00 C ATOM 1406 C GLY A 95 -20.699 -0.578 -15.900 1.00 0.00 C ATOM 1407 O GLY A 95 -21.146 0.384 -15.277 1.00 0.00 O ATOM 0 H GLY A 95 -20.408 -1.210 -13.287 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -18.751 -1.490 -15.743 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -20.074 -2.565 -15.341 1.00 0.00 H new TER 1411 GLY A 95