USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 700 hydrogens (8 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 NoAdj-H: B 203 SEP H2 : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 203 SEP H : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 205 SEP H2 : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD NoAdj-H: B 205 SEP H : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD Set 1.1: A 35 HIS : no HD1:sc= 1.32 K(o=1.4,f=-7!) USER MOD Set 1.2: B 199 CYS SG : rot -39:sc= 0.0614 USER MOD Single : A 21 TYR OH : rot 180:sc= -0.0245 USER MOD Single : A 23 LYS NZ :NH3+ -152:sc= 1.36 (180deg=0.0127!) USER MOD Single : A 25 LYS NZ :NH3+ 165:sc= 1.26 (180deg=1.1) USER MOD Single : A 29 GLN : amide:sc= -0.206 K(o=-0.21,f=-0.94!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -125:sc= 1.3 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -122:sc= 0.38 (180deg=-0.876!) USER MOD Single : A 40 MET CE :methyl 170:sc= -0.0249 (180deg=-0.232) USER MOD Single : A 41 THR OG1 : rot -136:sc= 0.00503 USER MOD Single : A 42 THR OG1 : rot -70:sc=-0.00532 USER MOD Single : A 43 HIS : no HE2:sc= -3.57! C(o=-3.6!,f=-9!) USER MOD Single : A 45 LYS NZ :NH3+ -135:sc= 1.27 (180deg=0.872) USER MOD Single : A 46 LYS NZ :NH3+ 158:sc= -0.161 (180deg=-0.648) USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= 2.07 (180deg=1.84) USER MOD Single : A 50 SER OG : rot 85:sc= -0.175! USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 79:sc= -2.41! USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 55 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.44) USER MOD Single : A 59 MET CE :methyl -141:sc= 0 (180deg=-0.3) USER MOD Single : A 60 ASN : amide:sc= -0.0967 K(o=-0.097,f=-1.4!) USER MOD Single : A 61 SER OG : rot -78:sc= 1.31 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 74 ASN : amide:sc= -0.087 X(o=-0.087,f=-0.31) USER MOD Single : A 75 HIS : no HD1:sc= 0.664 K(o=0.66,f=-5.7!) USER MOD Single : A 76 THR OG1 : rot 6:sc= 0.406 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 172:sc= 1.25 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0319 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 13.659 -6.325 0.127 1.00 10.00 N ATOM 2 CA TYR A 21 12.260 -6.304 -0.278 1.00 10.00 C ATOM 3 C TYR A 21 11.338 -6.445 0.927 1.00 10.00 C ATOM 4 O TYR A 21 11.515 -7.338 1.757 1.00 10.00 O ATOM 5 CB TYR A 21 11.980 -7.416 -1.289 1.00 10.00 C ATOM 6 CG TYR A 21 11.967 -6.932 -2.720 1.00 10.00 C ATOM 7 CD1 TYR A 21 10.793 -6.478 -3.302 1.00 10.00 C ATOM 8 CD2 TYR A 21 13.128 -6.915 -3.484 1.00 10.00 C ATOM 9 CE1 TYR A 21 10.772 -6.025 -4.604 1.00 10.00 C ATOM 10 CE2 TYR A 21 13.114 -6.465 -4.790 1.00 10.00 C ATOM 11 CZ TYR A 21 11.934 -6.016 -5.344 1.00 10.00 C ATOM 12 OH TYR A 21 11.915 -5.556 -6.639 1.00 10.00 O ATOM 0 HA TYR A 21 12.061 -5.341 -0.748 1.00 10.00 H new ATOM 0 HB2 TYR A 21 12.736 -8.194 -1.182 1.00 10.00 H new ATOM 0 HB3 TYR A 21 11.018 -7.874 -1.059 1.00 10.00 H new ATOM 0 HD1 TYR A 21 9.880 -6.479 -2.726 1.00 10.00 H new ATOM 0 HD2 TYR A 21 14.055 -7.259 -3.050 1.00 10.00 H new ATOM 0 HE1 TYR A 21 9.848 -5.678 -5.042 1.00 10.00 H new ATOM 0 HE2 TYR A 21 14.023 -6.465 -5.374 1.00 10.00 H new ATOM 0 HH TYR A 21 12.816 -5.615 -7.020 1.00 10.00 H new ATOM 22 N ILE A 22 10.370 -5.547 1.021 1.00 10.00 N ATOM 23 CA ILE A 22 9.409 -5.555 2.116 1.00 10.00 C ATOM 24 C ILE A 22 8.034 -5.936 1.588 1.00 10.00 C ATOM 25 O ILE A 22 7.377 -5.140 0.920 1.00 10.00 O ATOM 26 CB ILE A 22 9.320 -4.174 2.807 1.00 10.00 C ATOM 27 CG1 ILE A 22 10.717 -3.657 3.174 1.00 10.00 C ATOM 28 CG2 ILE A 22 8.435 -4.249 4.048 1.00 10.00 C ATOM 29 CD1 ILE A 22 11.470 -4.544 4.143 1.00 10.00 C ATOM 0 H ILE A 22 10.227 -4.796 0.346 1.00 10.00 H new ATOM 0 HA ILE A 22 9.749 -6.285 2.851 1.00 10.00 H new ATOM 0 HB ILE A 22 8.870 -3.472 2.105 1.00 10.00 H new ATOM 0 HG12 ILE A 22 11.305 -3.552 2.262 1.00 10.00 H new ATOM 0 HG13 ILE A 22 10.622 -2.662 3.608 1.00 10.00 H new ATOM 0 HG21 ILE A 22 8.385 -3.267 4.519 1.00 10.00 H new ATOM 0 HG22 ILE A 22 7.432 -4.565 3.761 1.00 10.00 H new ATOM 0 HG23 ILE A 22 8.855 -4.968 4.751 1.00 10.00 H new ATOM 0 HD11 ILE A 22 12.447 -4.108 4.351 1.00 10.00 H new ATOM 0 HD12 ILE A 22 10.906 -4.629 5.072 1.00 10.00 H new ATOM 0 HD13 ILE A 22 11.600 -5.534 3.705 1.00 10.00 H new ATOM 41 N LYS A 23 7.608 -7.157 1.871 1.00 10.00 N ATOM 42 CA LYS A 23 6.317 -7.627 1.406 1.00 10.00 C ATOM 43 C LYS A 23 5.232 -7.358 2.441 1.00 10.00 C ATOM 44 O LYS A 23 5.171 -8.000 3.490 1.00 10.00 O ATOM 45 CB LYS A 23 6.373 -9.116 1.070 1.00 10.00 C ATOM 46 CG LYS A 23 5.152 -9.613 0.315 1.00 10.00 C ATOM 47 CD LYS A 23 4.963 -11.112 0.477 1.00 10.00 C ATOM 48 CE LYS A 23 4.438 -11.462 1.860 1.00 10.00 C ATOM 49 NZ LYS A 23 5.533 -11.790 2.810 1.00 10.00 N ATOM 0 H LYS A 23 8.136 -7.836 2.418 1.00 10.00 H new ATOM 0 HA LYS A 23 6.068 -7.076 0.499 1.00 10.00 H new ATOM 0 HB2 LYS A 23 7.264 -9.313 0.474 1.00 10.00 H new ATOM 0 HB3 LYS A 23 6.476 -9.685 1.994 1.00 10.00 H new ATOM 0 HG2 LYS A 23 4.264 -9.093 0.676 1.00 10.00 H new ATOM 0 HG3 LYS A 23 5.255 -9.371 -0.743 1.00 10.00 H new ATOM 0 HD2 LYS A 23 4.268 -11.476 -0.280 1.00 10.00 H new ATOM 0 HD3 LYS A 23 5.913 -11.620 0.308 1.00 10.00 H new ATOM 0 HE2 LYS A 23 3.860 -10.624 2.250 1.00 10.00 H new ATOM 0 HE3 LYS A 23 3.758 -12.311 1.785 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 5.179 -12.447 3.534 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 6.319 -12.235 2.294 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 5.868 -10.918 3.267 1.00 10.00 H new ATOM 63 N LEU A 24 4.385 -6.396 2.132 1.00 10.00 N ATOM 64 CA LEU A 24 3.289 -6.021 3.006 1.00 10.00 C ATOM 65 C LEU A 24 2.033 -6.792 2.623 1.00 10.00 C ATOM 66 O LEU A 24 1.865 -7.181 1.466 1.00 10.00 O ATOM 67 CB LEU A 24 3.046 -4.516 2.905 1.00 10.00 C ATOM 68 CG LEU A 24 4.307 -3.659 3.035 1.00 10.00 C ATOM 69 CD1 LEU A 24 4.103 -2.306 2.379 1.00 10.00 C ATOM 70 CD2 LEU A 24 4.697 -3.497 4.497 1.00 10.00 C ATOM 0 H LEU A 24 4.436 -5.853 1.270 1.00 10.00 H new ATOM 0 HA LEU A 24 3.545 -6.268 4.036 1.00 10.00 H new ATOM 0 HB2 LEU A 24 2.573 -4.301 1.947 1.00 10.00 H new ATOM 0 HB3 LEU A 24 2.340 -4.222 3.682 1.00 10.00 H new ATOM 0 HG LEU A 24 5.122 -4.167 2.520 1.00 10.00 H new ATOM 0 HD11 LEU A 24 5.011 -1.711 2.482 1.00 10.00 H new ATOM 0 HD12 LEU A 24 3.878 -2.445 1.322 1.00 10.00 H new ATOM 0 HD13 LEU A 24 3.274 -1.789 2.862 1.00 10.00 H new ATOM 0 HD21 LEU A 24 5.596 -2.885 4.568 1.00 10.00 H new ATOM 0 HD22 LEU A 24 3.884 -3.013 5.039 1.00 10.00 H new ATOM 0 HD23 LEU A 24 4.890 -4.477 4.933 1.00 10.00 H new ATOM 82 N LYS A 25 1.161 -7.019 3.586 1.00 10.00 N ATOM 83 CA LYS A 25 -0.067 -7.755 3.334 1.00 10.00 C ATOM 84 C LYS A 25 -1.270 -6.829 3.335 1.00 10.00 C ATOM 85 O LYS A 25 -1.657 -6.300 4.376 1.00 10.00 O ATOM 86 CB LYS A 25 -0.263 -8.849 4.382 1.00 10.00 C ATOM 87 CG LYS A 25 0.759 -9.971 4.294 1.00 10.00 C ATOM 88 CD LYS A 25 0.313 -11.192 5.082 1.00 10.00 C ATOM 89 CE LYS A 25 -0.830 -11.910 4.387 1.00 10.00 C ATOM 90 NZ LYS A 25 -1.316 -13.078 5.165 1.00 10.00 N ATOM 0 H LYS A 25 1.278 -6.706 4.550 1.00 10.00 H new ATOM 0 HA LYS A 25 0.020 -8.213 2.349 1.00 10.00 H new ATOM 0 HB2 LYS A 25 -0.213 -8.402 5.375 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -1.262 -9.270 4.272 1.00 10.00 H new ATOM 0 HG2 LYS A 25 0.911 -10.246 3.250 1.00 10.00 H new ATOM 0 HG3 LYS A 25 1.719 -9.621 4.674 1.00 10.00 H new ATOM 0 HD2 LYS A 25 1.153 -11.875 5.205 1.00 10.00 H new ATOM 0 HD3 LYS A 25 0.001 -10.888 6.081 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -1.653 -11.213 4.230 1.00 10.00 H new ATOM 0 HE3 LYS A 25 -0.502 -12.243 3.402 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 -2.240 -13.381 4.796 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 -0.635 -13.860 5.079 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 -1.414 -12.812 6.166 1.00 10.00 H new ATOM 104 N VAL A 26 -1.850 -6.636 2.163 1.00 10.00 N ATOM 105 CA VAL A 26 -3.027 -5.797 2.015 1.00 10.00 C ATOM 106 C VAL A 26 -4.263 -6.686 1.990 1.00 10.00 C ATOM 107 O VAL A 26 -4.577 -7.306 0.974 1.00 10.00 O ATOM 108 CB VAL A 26 -2.971 -4.947 0.726 1.00 10.00 C ATOM 109 CG1 VAL A 26 -4.038 -3.861 0.753 1.00 10.00 C ATOM 110 CG2 VAL A 26 -1.589 -4.338 0.537 1.00 10.00 C ATOM 0 H VAL A 26 -1.521 -7.053 1.292 1.00 10.00 H new ATOM 0 HA VAL A 26 -3.066 -5.108 2.859 1.00 10.00 H new ATOM 0 HB VAL A 26 -3.170 -5.603 -0.122 1.00 10.00 H new ATOM 0 HG11 VAL A 26 -3.982 -3.273 -0.163 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -5.023 -4.321 0.830 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -3.873 -3.210 1.612 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.575 -3.744 -0.377 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.353 -3.699 1.388 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -0.848 -5.134 0.464 1.00 10.00 H new ATOM 120 N ILE A 27 -4.947 -6.765 3.118 1.00 10.00 N ATOM 121 CA ILE A 27 -6.129 -7.607 3.227 1.00 10.00 C ATOM 122 C ILE A 27 -7.384 -6.871 2.780 1.00 10.00 C ATOM 123 O ILE A 27 -7.782 -5.873 3.383 1.00 10.00 O ATOM 124 CB ILE A 27 -6.324 -8.122 4.671 1.00 10.00 C ATOM 125 CG1 ILE A 27 -5.081 -8.891 5.139 1.00 10.00 C ATOM 126 CG2 ILE A 27 -7.563 -9.005 4.766 1.00 10.00 C ATOM 127 CD1 ILE A 27 -4.779 -10.131 4.322 1.00 10.00 C ATOM 0 H ILE A 27 -4.707 -6.259 3.970 1.00 10.00 H new ATOM 0 HA ILE A 27 -5.967 -8.459 2.566 1.00 10.00 H new ATOM 0 HB ILE A 27 -6.466 -7.261 5.324 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -4.219 -8.225 5.102 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -5.216 -9.179 6.181 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -7.681 -9.357 5.791 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -8.442 -8.430 4.476 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -7.452 -9.860 4.099 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -3.887 -10.618 4.716 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -5.623 -10.819 4.379 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -4.610 -9.850 3.283 1.00 10.00 H new ATOM 139 N GLY A 28 -7.988 -7.360 1.706 1.00 10.00 N ATOM 140 CA GLY A 28 -9.211 -6.765 1.205 1.00 10.00 C ATOM 141 C GLY A 28 -10.402 -7.156 2.061 1.00 10.00 C ATOM 142 O GLY A 28 -10.277 -7.981 2.969 1.00 10.00 O ATOM 0 H GLY A 28 -7.652 -8.161 1.171 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -9.111 -5.680 1.190 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -9.379 -7.084 0.176 1.00 10.00 H new ATOM 146 N GLN A 29 -11.560 -6.588 1.770 1.00 10.00 N ATOM 147 CA GLN A 29 -12.762 -6.882 2.540 1.00 10.00 C ATOM 148 C GLN A 29 -13.351 -8.238 2.152 1.00 10.00 C ATOM 149 O GLN A 29 -14.200 -8.783 2.859 1.00 10.00 O ATOM 150 CB GLN A 29 -13.806 -5.784 2.332 1.00 10.00 C ATOM 151 CG GLN A 29 -14.741 -5.592 3.517 1.00 10.00 C ATOM 152 CD GLN A 29 -14.066 -4.928 4.701 1.00 10.00 C ATOM 153 OE1 GLN A 29 -14.006 -3.705 4.784 1.00 10.00 O ATOM 154 NE2 GLN A 29 -13.566 -5.725 5.632 1.00 10.00 N ATOM 0 H GLN A 29 -11.696 -5.922 1.009 1.00 10.00 H new ATOM 0 HA GLN A 29 -12.483 -6.919 3.593 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -13.294 -4.843 2.129 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -14.399 -6.022 1.449 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -15.594 -4.988 3.206 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -15.132 -6.562 3.825 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -13.635 -6.737 5.528 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -13.112 -5.327 6.454 1.00 10.00 H new ATOM 163 N ASP A 30 -12.888 -8.785 1.035 1.00 10.00 N ATOM 164 CA ASP A 30 -13.380 -10.069 0.550 1.00 10.00 C ATOM 165 C ASP A 30 -12.362 -11.183 0.800 1.00 10.00 C ATOM 166 O ASP A 30 -12.425 -12.247 0.176 1.00 10.00 O ATOM 167 CB ASP A 30 -13.710 -9.972 -0.943 1.00 10.00 C ATOM 168 CG ASP A 30 -12.473 -9.905 -1.818 1.00 10.00 C ATOM 169 OD1 ASP A 30 -11.590 -9.060 -1.558 1.00 10.00 O ATOM 170 OD2 ASP A 30 -12.385 -10.698 -2.778 1.00 10.00 O ATOM 0 H ASP A 30 -12.172 -8.359 0.447 1.00 10.00 H new ATOM 0 HA ASP A 30 -14.287 -10.317 1.101 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -14.309 -10.835 -1.234 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -14.321 -9.087 -1.118 1.00 10.00 H new ATOM 175 N SER A 31 -11.434 -10.927 1.723 1.00 10.00 N ATOM 176 CA SER A 31 -10.395 -11.891 2.088 1.00 10.00 C ATOM 177 C SER A 31 -9.497 -12.235 0.899 1.00 10.00 C ATOM 178 O SER A 31 -9.385 -13.391 0.498 1.00 10.00 O ATOM 179 CB SER A 31 -11.023 -13.159 2.678 1.00 10.00 C ATOM 180 OG SER A 31 -11.870 -12.839 3.771 1.00 10.00 O ATOM 0 H SER A 31 -11.381 -10.048 2.238 1.00 10.00 H new ATOM 0 HA SER A 31 -9.766 -11.426 2.847 1.00 10.00 H new ATOM 0 HB2 SER A 31 -11.594 -13.679 1.909 1.00 10.00 H new ATOM 0 HB3 SER A 31 -10.238 -13.840 3.007 1.00 10.00 H new ATOM 0 HG SER A 31 -12.262 -13.661 4.132 1.00 10.00 H new ATOM 186 N SER A 32 -8.878 -11.214 0.335 1.00 10.00 N ATOM 187 CA SER A 32 -7.966 -11.374 -0.787 1.00 10.00 C ATOM 188 C SER A 32 -6.533 -11.188 -0.294 1.00 10.00 C ATOM 189 O SER A 32 -6.211 -10.166 0.314 1.00 10.00 O ATOM 190 CB SER A 32 -8.310 -10.330 -1.849 1.00 10.00 C ATOM 191 OG SER A 32 -8.953 -9.213 -1.250 1.00 10.00 O ATOM 0 H SER A 32 -8.993 -10.248 0.641 1.00 10.00 H new ATOM 0 HA SER A 32 -8.060 -12.369 -1.221 1.00 10.00 H new ATOM 0 HB2 SER A 32 -7.402 -10.006 -2.358 1.00 10.00 H new ATOM 0 HB3 SER A 32 -8.960 -10.770 -2.605 1.00 10.00 H new ATOM 0 HG SER A 32 -9.812 -9.053 -1.694 1.00 10.00 H new ATOM 197 N GLU A 33 -5.686 -12.181 -0.524 1.00 10.00 N ATOM 198 CA GLU A 33 -4.295 -12.113 -0.089 1.00 10.00 C ATOM 199 C GLU A 33 -3.457 -11.283 -1.054 1.00 10.00 C ATOM 200 O GLU A 33 -2.841 -11.815 -1.979 1.00 10.00 O ATOM 201 CB GLU A 33 -3.704 -13.519 0.036 1.00 10.00 C ATOM 202 CG GLU A 33 -4.038 -14.211 1.348 1.00 10.00 C ATOM 203 CD GLU A 33 -3.030 -13.915 2.439 1.00 10.00 C ATOM 204 OE1 GLU A 33 -3.448 -13.686 3.597 1.00 10.00 O ATOM 205 OE2 GLU A 33 -1.814 -13.924 2.154 1.00 10.00 O ATOM 0 H GLU A 33 -5.936 -13.043 -1.009 1.00 10.00 H new ATOM 0 HA GLU A 33 -4.275 -11.629 0.888 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -4.068 -14.131 -0.789 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -2.621 -13.458 -0.066 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -5.028 -13.896 1.678 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -4.084 -15.288 1.184 1.00 10.00 H new ATOM 212 N ILE A 34 -3.453 -9.976 -0.848 1.00 10.00 N ATOM 213 CA ILE A 34 -2.679 -9.083 -1.689 1.00 10.00 C ATOM 214 C ILE A 34 -1.326 -8.795 -1.042 1.00 10.00 C ATOM 215 O ILE A 34 -1.246 -8.189 0.025 1.00 10.00 O ATOM 216 CB ILE A 34 -3.420 -7.757 -1.961 1.00 10.00 C ATOM 217 CG1 ILE A 34 -4.799 -8.025 -2.576 1.00 10.00 C ATOM 218 CG2 ILE A 34 -2.593 -6.859 -2.873 1.00 10.00 C ATOM 219 CD1 ILE A 34 -4.754 -8.826 -3.860 1.00 10.00 C ATOM 0 H ILE A 34 -3.977 -9.512 -0.106 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.531 -9.583 -2.646 1.00 10.00 H new ATOM 0 HB ILE A 34 -3.563 -7.243 -1.010 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -5.413 -8.557 -1.849 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -5.290 -7.072 -2.771 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -3.132 -5.929 -3.054 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -1.637 -6.638 -2.397 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -2.417 -7.367 -3.822 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -5.768 -8.974 -4.232 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -4.169 -8.287 -4.605 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -4.293 -9.795 -3.668 1.00 10.00 H new ATOM 231 N HIS A 35 -0.270 -9.244 -1.693 1.00 10.00 N ATOM 232 CA HIS A 35 1.083 -9.058 -1.201 1.00 10.00 C ATOM 233 C HIS A 35 1.771 -7.926 -1.955 1.00 10.00 C ATOM 234 O HIS A 35 2.033 -8.021 -3.160 1.00 10.00 O ATOM 235 CB HIS A 35 1.884 -10.358 -1.341 1.00 10.00 C ATOM 236 CG HIS A 35 1.177 -11.569 -0.793 1.00 10.00 C ATOM 237 ND1 HIS A 35 1.260 -12.793 -1.417 1.00 10.00 N ATOM 238 CD2 HIS A 35 0.386 -11.685 0.304 1.00 10.00 C ATOM 239 CE1 HIS A 35 0.521 -13.620 -0.692 1.00 10.00 C ATOM 240 NE2 HIS A 35 -0.026 -12.990 0.356 1.00 10.00 N ATOM 0 H HIS A 35 -0.325 -9.748 -2.578 1.00 10.00 H new ATOM 0 HA HIS A 35 1.035 -8.792 -0.145 1.00 10.00 H new ATOM 0 HB2 HIS A 35 2.107 -10.525 -2.395 1.00 10.00 H new ATOM 0 HB3 HIS A 35 2.839 -10.243 -0.828 1.00 10.00 H new ATOM 0 HD2 HIS A 35 0.131 -10.900 1.001 1.00 10.00 H new ATOM 0 HE1 HIS A 35 0.378 -14.667 -0.917 1.00 10.00 H new ATOM 0 HE2 HIS A 35 -0.635 -13.405 1.061 1.00 10.00 H new ATOM 248 N PHE A 36 2.051 -6.857 -1.239 1.00 10.00 N ATOM 249 CA PHE A 36 2.695 -5.689 -1.810 1.00 10.00 C ATOM 250 C PHE A 36 4.181 -5.692 -1.463 1.00 10.00 C ATOM 251 O PHE A 36 4.571 -5.277 -0.374 1.00 10.00 O ATOM 252 CB PHE A 36 2.022 -4.425 -1.262 1.00 10.00 C ATOM 253 CG PHE A 36 1.887 -3.300 -2.243 1.00 10.00 C ATOM 254 CD1 PHE A 36 2.954 -2.903 -3.026 1.00 10.00 C ATOM 255 CD2 PHE A 36 0.680 -2.634 -2.370 1.00 10.00 C ATOM 256 CE1 PHE A 36 2.822 -1.854 -3.917 1.00 10.00 C ATOM 257 CE2 PHE A 36 0.540 -1.590 -3.258 1.00 10.00 C ATOM 258 CZ PHE A 36 1.611 -1.199 -4.035 1.00 10.00 C ATOM 0 H PHE A 36 1.839 -6.772 -0.245 1.00 10.00 H new ATOM 0 HA PHE A 36 2.594 -5.708 -2.895 1.00 10.00 H new ATOM 0 HB2 PHE A 36 1.029 -4.690 -0.898 1.00 10.00 H new ATOM 0 HB3 PHE A 36 2.593 -4.071 -0.404 1.00 10.00 H new ATOM 0 HD1 PHE A 36 3.900 -3.417 -2.941 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -0.162 -2.937 -1.765 1.00 10.00 H new ATOM 0 HE1 PHE A 36 3.664 -1.547 -4.520 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -0.407 -1.078 -3.346 1.00 10.00 H new ATOM 0 HZ PHE A 36 1.503 -0.383 -4.734 1.00 10.00 H new ATOM 268 N LYS A 37 5.008 -6.174 -2.382 1.00 10.00 N ATOM 269 CA LYS A 37 6.448 -6.235 -2.148 1.00 10.00 C ATOM 270 C LYS A 37 7.136 -4.950 -2.604 1.00 10.00 C ATOM 271 O LYS A 37 7.498 -4.792 -3.771 1.00 10.00 O ATOM 272 CB LYS A 37 7.057 -7.472 -2.821 1.00 10.00 C ATOM 273 CG LYS A 37 6.658 -7.658 -4.279 1.00 10.00 C ATOM 274 CD LYS A 37 6.683 -9.124 -4.686 1.00 10.00 C ATOM 275 CE LYS A 37 8.035 -9.763 -4.411 1.00 10.00 C ATOM 276 NZ LYS A 37 7.989 -11.239 -4.561 1.00 10.00 N ATOM 0 H LYS A 37 4.710 -6.527 -3.292 1.00 10.00 H new ATOM 0 HA LYS A 37 6.614 -6.327 -1.075 1.00 10.00 H new ATOM 0 HB2 LYS A 37 8.143 -7.405 -2.760 1.00 10.00 H new ATOM 0 HB3 LYS A 37 6.760 -8.358 -2.260 1.00 10.00 H new ATOM 0 HG2 LYS A 37 5.658 -7.253 -4.437 1.00 10.00 H new ATOM 0 HG3 LYS A 37 7.336 -7.091 -4.917 1.00 10.00 H new ATOM 0 HD2 LYS A 37 5.908 -9.665 -4.143 1.00 10.00 H new ATOM 0 HD3 LYS A 37 6.449 -9.211 -5.747 1.00 10.00 H new ATOM 0 HE2 LYS A 37 8.777 -9.351 -5.095 1.00 10.00 H new ATOM 0 HE3 LYS A 37 8.358 -9.510 -3.401 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 8.930 -11.637 -4.365 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 7.299 -11.635 -3.891 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 7.706 -11.481 -5.532 1.00 10.00 H new ATOM 290 N VAL A 38 7.306 -4.032 -1.664 1.00 10.00 N ATOM 291 CA VAL A 38 7.927 -2.744 -1.938 1.00 10.00 C ATOM 292 C VAL A 38 9.391 -2.731 -1.499 1.00 10.00 C ATOM 293 O VAL A 38 9.939 -3.757 -1.085 1.00 10.00 O ATOM 294 CB VAL A 38 7.173 -1.600 -1.220 1.00 10.00 C ATOM 295 CG1 VAL A 38 5.695 -1.630 -1.569 1.00 10.00 C ATOM 296 CG2 VAL A 38 7.362 -1.684 0.290 1.00 10.00 C ATOM 0 H VAL A 38 7.019 -4.158 -0.693 1.00 10.00 H new ATOM 0 HA VAL A 38 7.877 -2.587 -3.016 1.00 10.00 H new ATOM 0 HB VAL A 38 7.593 -0.655 -1.564 1.00 10.00 H new ATOM 0 HG11 VAL A 38 5.183 -0.817 -1.054 1.00 10.00 H new ATOM 0 HG12 VAL A 38 5.573 -1.511 -2.646 1.00 10.00 H new ATOM 0 HG13 VAL A 38 5.267 -2.583 -1.258 1.00 10.00 H new ATOM 0 HG21 VAL A 38 6.822 -0.868 0.770 1.00 10.00 H new ATOM 0 HG22 VAL A 38 6.977 -2.637 0.652 1.00 10.00 H new ATOM 0 HG23 VAL A 38 8.423 -1.607 0.529 1.00 10.00 H new ATOM 306 N LYS A 39 10.015 -1.566 -1.594 1.00 10.00 N ATOM 307 CA LYS A 39 11.405 -1.400 -1.200 1.00 10.00 C ATOM 308 C LYS A 39 11.521 -0.259 -0.197 1.00 10.00 C ATOM 309 O LYS A 39 10.516 0.200 0.345 1.00 10.00 O ATOM 310 CB LYS A 39 12.276 -1.098 -2.418 1.00 10.00 C ATOM 311 CG LYS A 39 12.641 -2.306 -3.257 1.00 10.00 C ATOM 312 CD LYS A 39 13.420 -1.876 -4.487 1.00 10.00 C ATOM 313 CE LYS A 39 14.007 -3.059 -5.228 1.00 10.00 C ATOM 314 NZ LYS A 39 14.874 -2.625 -6.350 1.00 10.00 N ATOM 0 H LYS A 39 9.575 -0.715 -1.944 1.00 10.00 H new ATOM 0 HA LYS A 39 11.750 -2.328 -0.743 1.00 10.00 H new ATOM 0 HB2 LYS A 39 11.755 -0.379 -3.050 1.00 10.00 H new ATOM 0 HB3 LYS A 39 13.194 -0.618 -2.080 1.00 10.00 H new ATOM 0 HG2 LYS A 39 13.236 -3.002 -2.666 1.00 10.00 H new ATOM 0 HG3 LYS A 39 11.737 -2.836 -3.557 1.00 10.00 H new ATOM 0 HD2 LYS A 39 12.764 -1.319 -5.155 1.00 10.00 H new ATOM 0 HD3 LYS A 39 14.222 -1.200 -4.190 1.00 10.00 H new ATOM 0 HE2 LYS A 39 14.585 -3.672 -4.536 1.00 10.00 H new ATOM 0 HE3 LYS A 39 13.201 -3.685 -5.611 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 14.517 -3.027 -7.240 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 14.868 -1.587 -6.412 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 15.846 -2.957 -6.186 1.00 10.00 H new ATOM 328 N MET A 40 12.739 0.208 0.040 1.00 10.00 N ATOM 329 CA MET A 40 12.962 1.303 0.976 1.00 10.00 C ATOM 330 C MET A 40 13.152 2.619 0.230 1.00 10.00 C ATOM 331 O MET A 40 12.852 3.693 0.752 1.00 10.00 O ATOM 332 CB MET A 40 14.181 1.012 1.851 1.00 10.00 C ATOM 333 CG MET A 40 14.282 1.913 3.067 1.00 10.00 C ATOM 334 SD MET A 40 12.751 1.971 4.022 1.00 10.00 S ATOM 335 CE MET A 40 12.577 0.250 4.497 1.00 10.00 C ATOM 0 H MET A 40 13.585 -0.152 -0.401 1.00 10.00 H new ATOM 0 HA MET A 40 12.083 1.393 1.615 1.00 10.00 H new ATOM 0 HB2 MET A 40 14.142 -0.026 2.180 1.00 10.00 H new ATOM 0 HB3 MET A 40 15.084 1.123 1.251 1.00 10.00 H new ATOM 0 HG2 MET A 40 15.091 1.562 3.707 1.00 10.00 H new ATOM 0 HG3 MET A 40 14.543 2.921 2.746 1.00 10.00 H new ATOM 0 HE1 MET A 40 11.780 0.155 5.235 1.00 10.00 H new ATOM 0 HE2 MET A 40 12.331 -0.347 3.619 1.00 10.00 H new ATOM 0 HE3 MET A 40 13.514 -0.105 4.927 1.00 10.00 H new ATOM 345 N THR A 41 13.651 2.523 -0.994 1.00 10.00 N ATOM 346 CA THR A 41 13.888 3.698 -1.822 1.00 10.00 C ATOM 347 C THR A 41 12.598 4.170 -2.479 1.00 10.00 C ATOM 348 O THR A 41 12.490 5.322 -2.901 1.00 10.00 O ATOM 349 CB THR A 41 14.930 3.399 -2.930 1.00 10.00 C ATOM 350 OG1 THR A 41 15.438 4.621 -3.485 1.00 10.00 O ATOM 351 CG2 THR A 41 14.319 2.545 -4.041 1.00 10.00 C ATOM 0 H THR A 41 13.901 1.639 -1.438 1.00 10.00 H new ATOM 0 HA THR A 41 14.271 4.480 -1.166 1.00 10.00 H new ATOM 0 HB THR A 41 15.750 2.844 -2.475 1.00 10.00 H new ATOM 0 HG1 THR A 41 15.478 4.545 -4.461 1.00 10.00 H new ATOM 0 HG21 THR A 41 15.071 2.350 -4.805 1.00 10.00 H new ATOM 0 HG22 THR A 41 13.972 1.600 -3.624 1.00 10.00 H new ATOM 0 HG23 THR A 41 13.478 3.076 -4.487 1.00 10.00 H new ATOM 359 N THR A 42 11.621 3.283 -2.544 1.00 10.00 N ATOM 360 CA THR A 42 10.361 3.598 -3.185 1.00 10.00 C ATOM 361 C THR A 42 9.489 4.486 -2.310 1.00 10.00 C ATOM 362 O THR A 42 9.304 4.221 -1.118 1.00 10.00 O ATOM 363 CB THR A 42 9.595 2.312 -3.557 1.00 10.00 C ATOM 364 OG1 THR A 42 8.989 1.730 -2.390 1.00 10.00 O ATOM 365 CG2 THR A 42 10.537 1.295 -4.179 1.00 10.00 C ATOM 0 H THR A 42 11.678 2.340 -2.160 1.00 10.00 H new ATOM 0 HA THR A 42 10.596 4.147 -4.097 1.00 10.00 H new ATOM 0 HB THR A 42 8.820 2.580 -4.275 1.00 10.00 H new ATOM 0 HG1 THR A 42 9.686 1.362 -1.808 1.00 10.00 H new ATOM 0 HG21 THR A 42 9.981 0.393 -4.436 1.00 10.00 H new ATOM 0 HG22 THR A 42 10.983 1.716 -5.080 1.00 10.00 H new ATOM 0 HG23 THR A 42 11.324 1.045 -3.468 1.00 10.00 H new ATOM 373 N HIS A 43 8.955 5.539 -2.908 1.00 10.00 N ATOM 374 CA HIS A 43 8.096 6.463 -2.192 1.00 10.00 C ATOM 375 C HIS A 43 6.695 5.871 -2.130 1.00 10.00 C ATOM 376 O HIS A 43 6.241 5.241 -3.088 1.00 10.00 O ATOM 377 CB HIS A 43 8.031 7.837 -2.881 1.00 10.00 C ATOM 378 CG HIS A 43 9.329 8.367 -3.434 1.00 10.00 C ATOM 379 ND1 HIS A 43 9.331 9.436 -4.299 1.00 10.00 N ATOM 380 CD2 HIS A 43 10.617 7.970 -3.235 1.00 10.00 C ATOM 381 CE1 HIS A 43 10.596 9.658 -4.598 1.00 10.00 C ATOM 382 NE2 HIS A 43 11.399 8.799 -3.974 1.00 10.00 N ATOM 0 H HIS A 43 9.103 5.774 -3.890 1.00 10.00 H new ATOM 0 HA HIS A 43 8.507 6.610 -1.193 1.00 10.00 H new ATOM 0 HB2 HIS A 43 7.310 7.777 -3.697 1.00 10.00 H new ATOM 0 HB3 HIS A 43 7.643 8.561 -2.165 1.00 10.00 H new ATOM 0 HD1 HIS A 43 8.520 9.952 -4.640 1.00 10.00 H new ATOM 0 HD2 HIS A 43 10.951 7.154 -2.611 1.00 10.00 H new ATOM 0 HE1 HIS A 43 10.937 10.437 -5.264 1.00 10.00 H new ATOM 390 N LEU A 44 6.003 6.071 -1.017 1.00 10.00 N ATOM 391 CA LEU A 44 4.652 5.543 -0.871 1.00 10.00 C ATOM 392 C LEU A 44 3.686 6.242 -1.828 1.00 10.00 C ATOM 393 O LEU A 44 2.587 5.754 -2.087 1.00 10.00 O ATOM 394 CB LEU A 44 4.169 5.664 0.576 1.00 10.00 C ATOM 395 CG LEU A 44 4.456 4.438 1.449 1.00 10.00 C ATOM 396 CD1 LEU A 44 4.365 4.792 2.923 1.00 10.00 C ATOM 397 CD2 LEU A 44 3.487 3.314 1.109 1.00 10.00 C ATOM 0 H LEU A 44 6.349 6.589 -0.209 1.00 10.00 H new ATOM 0 HA LEU A 44 4.676 4.484 -1.130 1.00 10.00 H new ATOM 0 HB2 LEU A 44 4.640 6.536 1.031 1.00 10.00 H new ATOM 0 HB3 LEU A 44 3.095 5.848 0.572 1.00 10.00 H new ATOM 0 HG LEU A 44 5.472 4.099 1.245 1.00 10.00 H new ATOM 0 HD11 LEU A 44 4.572 3.906 3.523 1.00 10.00 H new ATOM 0 HD12 LEU A 44 5.094 5.568 3.157 1.00 10.00 H new ATOM 0 HD13 LEU A 44 3.363 5.157 3.148 1.00 10.00 H new ATOM 0 HD21 LEU A 44 3.700 2.448 1.735 1.00 10.00 H new ATOM 0 HD22 LEU A 44 2.465 3.648 1.288 1.00 10.00 H new ATOM 0 HD23 LEU A 44 3.601 3.040 0.060 1.00 10.00 H new ATOM 409 N LYS A 45 4.119 7.378 -2.362 1.00 10.00 N ATOM 410 CA LYS A 45 3.324 8.147 -3.310 1.00 10.00 C ATOM 411 C LYS A 45 3.040 7.318 -4.558 1.00 10.00 C ATOM 412 O LYS A 45 1.888 7.161 -4.972 1.00 10.00 O ATOM 413 CB LYS A 45 4.073 9.431 -3.694 1.00 10.00 C ATOM 414 CG LYS A 45 3.435 10.211 -4.835 1.00 10.00 C ATOM 415 CD LYS A 45 2.185 10.947 -4.381 1.00 10.00 C ATOM 416 CE LYS A 45 1.423 11.539 -5.555 1.00 10.00 C ATOM 417 NZ LYS A 45 0.257 12.353 -5.112 1.00 10.00 N ATOM 0 H LYS A 45 5.028 7.790 -2.151 1.00 10.00 H new ATOM 0 HA LYS A 45 2.375 8.410 -2.842 1.00 10.00 H new ATOM 0 HB2 LYS A 45 4.136 10.077 -2.818 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.094 9.172 -3.973 1.00 10.00 H new ATOM 0 HG2 LYS A 45 4.154 10.926 -5.234 1.00 10.00 H new ATOM 0 HG3 LYS A 45 3.181 9.528 -5.646 1.00 10.00 H new ATOM 0 HD2 LYS A 45 1.537 10.261 -3.835 1.00 10.00 H new ATOM 0 HD3 LYS A 45 2.462 11.742 -3.689 1.00 10.00 H new ATOM 0 HE2 LYS A 45 2.095 12.161 -6.147 1.00 10.00 H new ATOM 0 HE3 LYS A 45 1.078 10.735 -6.205 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 -0.572 12.117 -5.693 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 0.050 12.148 -4.114 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 0.478 13.364 -5.219 1.00 10.00 H new ATOM 431 N LYS A 46 4.096 6.754 -5.133 1.00 10.00 N ATOM 432 CA LYS A 46 3.964 5.951 -6.337 1.00 10.00 C ATOM 433 C LYS A 46 3.347 4.593 -6.019 1.00 10.00 C ATOM 434 O LYS A 46 2.666 3.992 -6.853 1.00 10.00 O ATOM 435 CB LYS A 46 5.318 5.768 -7.022 1.00 10.00 C ATOM 436 CG LYS A 46 5.187 5.470 -8.504 1.00 10.00 C ATOM 437 CD LYS A 46 6.530 5.452 -9.204 1.00 10.00 C ATOM 438 CE LYS A 46 6.359 5.531 -10.710 1.00 10.00 C ATOM 439 NZ LYS A 46 5.727 6.811 -11.121 1.00 10.00 N ATOM 0 H LYS A 46 5.050 6.839 -4.784 1.00 10.00 H new ATOM 0 HA LYS A 46 3.300 6.482 -7.020 1.00 10.00 H new ATOM 0 HB2 LYS A 46 5.914 6.671 -6.888 1.00 10.00 H new ATOM 0 HB3 LYS A 46 5.859 4.955 -6.538 1.00 10.00 H new ATOM 0 HG2 LYS A 46 4.697 4.506 -8.637 1.00 10.00 H new ATOM 0 HG3 LYS A 46 4.547 6.220 -8.969 1.00 10.00 H new ATOM 0 HD2 LYS A 46 7.135 6.290 -8.859 1.00 10.00 H new ATOM 0 HD3 LYS A 46 7.068 4.541 -8.943 1.00 10.00 H new ATOM 0 HE2 LYS A 46 7.331 5.433 -11.193 1.00 10.00 H new ATOM 0 HE3 LYS A 46 5.747 4.696 -11.052 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 5.954 7.006 -12.117 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 4.696 6.741 -11.008 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 6.089 7.583 -10.526 1.00 10.00 H new ATOM 453 N LEU A 47 3.581 4.117 -4.808 1.00 10.00 N ATOM 454 CA LEU A 47 3.044 2.833 -4.371 1.00 10.00 C ATOM 455 C LEU A 47 1.516 2.878 -4.327 1.00 10.00 C ATOM 456 O LEU A 47 0.839 1.927 -4.724 1.00 10.00 O ATOM 457 CB LEU A 47 3.594 2.477 -2.983 1.00 10.00 C ATOM 458 CG LEU A 47 4.901 1.667 -2.947 1.00 10.00 C ATOM 459 CD1 LEU A 47 5.790 1.978 -4.144 1.00 10.00 C ATOM 460 CD2 LEU A 47 5.657 1.942 -1.654 1.00 10.00 C ATOM 0 H LEU A 47 4.141 4.600 -4.105 1.00 10.00 H new ATOM 0 HA LEU A 47 3.351 2.069 -5.085 1.00 10.00 H new ATOM 0 HB2 LEU A 47 3.752 3.404 -2.431 1.00 10.00 H new ATOM 0 HB3 LEU A 47 2.829 1.914 -2.448 1.00 10.00 H new ATOM 0 HG LEU A 47 4.634 0.611 -2.993 1.00 10.00 H new ATOM 0 HD11 LEU A 47 6.703 1.386 -4.082 1.00 10.00 H new ATOM 0 HD12 LEU A 47 5.260 1.733 -5.064 1.00 10.00 H new ATOM 0 HD13 LEU A 47 6.044 3.038 -4.143 1.00 10.00 H new ATOM 0 HD21 LEU A 47 6.580 1.362 -1.642 1.00 10.00 H new ATOM 0 HD22 LEU A 47 5.895 3.004 -1.590 1.00 10.00 H new ATOM 0 HD23 LEU A 47 5.038 1.657 -0.803 1.00 10.00 H new ATOM 472 N LYS A 48 0.985 4.004 -3.868 1.00 10.00 N ATOM 473 CA LYS A 48 -0.453 4.188 -3.751 1.00 10.00 C ATOM 474 C LYS A 48 -1.133 4.312 -5.115 1.00 10.00 C ATOM 475 O LYS A 48 -2.158 3.670 -5.355 1.00 10.00 O ATOM 476 CB LYS A 48 -0.761 5.417 -2.894 1.00 10.00 C ATOM 477 CG LYS A 48 -0.418 5.234 -1.423 1.00 10.00 C ATOM 478 CD LYS A 48 -0.567 6.530 -0.638 1.00 10.00 C ATOM 479 CE LYS A 48 -2.018 6.974 -0.562 1.00 10.00 C ATOM 480 NZ LYS A 48 -2.171 8.253 0.180 1.00 10.00 N ATOM 0 H LYS A 48 1.535 4.809 -3.569 1.00 10.00 H new ATOM 0 HA LYS A 48 -0.855 3.298 -3.267 1.00 10.00 H new ATOM 0 HB2 LYS A 48 -0.207 6.270 -3.285 1.00 10.00 H new ATOM 0 HB3 LYS A 48 -1.820 5.657 -2.985 1.00 10.00 H new ATOM 0 HG2 LYS A 48 -1.067 4.472 -0.991 1.00 10.00 H new ATOM 0 HG3 LYS A 48 0.605 4.870 -1.332 1.00 10.00 H new ATOM 0 HD2 LYS A 48 -0.175 6.393 0.370 1.00 10.00 H new ATOM 0 HD3 LYS A 48 0.029 7.312 -1.109 1.00 10.00 H new ATOM 0 HE2 LYS A 48 -2.415 7.090 -1.571 1.00 10.00 H new ATOM 0 HE3 LYS A 48 -2.609 6.199 -0.074 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 -3.132 8.624 0.038 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 -2.011 8.087 1.194 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 -1.478 8.944 -0.172 1.00 10.00 H new ATOM 494 N GLU A 49 -0.566 5.114 -6.018 1.00 10.00 N ATOM 495 CA GLU A 49 -1.172 5.306 -7.342 1.00 10.00 C ATOM 496 C GLU A 49 -1.191 4.007 -8.147 1.00 10.00 C ATOM 497 O GLU A 49 -2.132 3.754 -8.903 1.00 10.00 O ATOM 498 CB GLU A 49 -0.457 6.407 -8.139 1.00 10.00 C ATOM 499 CG GLU A 49 1.027 6.166 -8.339 1.00 10.00 C ATOM 500 CD GLU A 49 1.556 6.754 -9.632 1.00 10.00 C ATOM 501 OE1 GLU A 49 0.764 6.939 -10.580 1.00 10.00 O ATOM 502 OE2 GLU A 49 2.772 7.027 -9.715 1.00 10.00 O ATOM 0 H GLU A 49 0.298 5.634 -5.864 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.202 5.620 -7.170 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -0.933 6.501 -9.115 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -0.593 7.359 -7.625 1.00 10.00 H new ATOM 0 HG2 GLU A 49 1.575 6.596 -7.500 1.00 10.00 H new ATOM 0 HG3 GLU A 49 1.219 5.093 -8.329 1.00 10.00 H new ATOM 509 N SER A 50 -0.166 3.184 -7.970 1.00 10.00 N ATOM 510 CA SER A 50 -0.075 1.917 -8.681 1.00 10.00 C ATOM 511 C SER A 50 -1.150 0.945 -8.199 1.00 10.00 C ATOM 512 O SER A 50 -1.715 0.189 -8.992 1.00 10.00 O ATOM 513 CB SER A 50 1.316 1.316 -8.505 1.00 10.00 C ATOM 514 OG SER A 50 2.313 2.246 -8.900 1.00 10.00 O ATOM 0 H SER A 50 0.614 3.372 -7.340 1.00 10.00 H new ATOM 0 HA SER A 50 -0.243 2.102 -9.742 1.00 10.00 H new ATOM 0 HB2 SER A 50 1.467 1.033 -7.463 1.00 10.00 H new ATOM 0 HB3 SER A 50 1.403 0.406 -9.099 1.00 10.00 H new ATOM 0 HG SER A 50 2.518 2.843 -8.151 1.00 10.00 H new ATOM 520 N TYR A 51 -1.448 0.987 -6.904 1.00 10.00 N ATOM 521 CA TYR A 51 -2.470 0.117 -6.334 1.00 10.00 C ATOM 522 C TYR A 51 -3.834 0.492 -6.896 1.00 10.00 C ATOM 523 O TYR A 51 -4.668 -0.373 -7.167 1.00 10.00 O ATOM 524 CB TYR A 51 -2.490 0.224 -4.808 1.00 10.00 C ATOM 525 CG TYR A 51 -3.348 -0.834 -4.142 1.00 10.00 C ATOM 526 CD1 TYR A 51 -2.886 -2.137 -3.996 1.00 10.00 C ATOM 527 CD2 TYR A 51 -4.617 -0.529 -3.661 1.00 10.00 C ATOM 528 CE1 TYR A 51 -3.665 -3.106 -3.393 1.00 10.00 C ATOM 529 CE2 TYR A 51 -5.401 -1.494 -3.056 1.00 10.00 C ATOM 530 CZ TYR A 51 -4.920 -2.780 -2.924 1.00 10.00 C ATOM 531 OH TYR A 51 -5.698 -3.744 -2.323 1.00 10.00 O ATOM 0 H TYR A 51 -0.999 1.611 -6.233 1.00 10.00 H new ATOM 0 HA TYR A 51 -2.235 -0.913 -6.602 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -1.470 0.144 -4.432 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -2.857 1.210 -4.525 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -1.903 -2.396 -4.360 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -4.996 0.477 -3.762 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -3.292 -4.114 -3.289 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -6.385 -1.242 -2.689 1.00 10.00 H new ATOM 0 HH TYR A 51 -6.552 -3.350 -2.048 1.00 10.00 H new ATOM 541 N CYS A 52 -4.038 1.790 -7.089 1.00 10.00 N ATOM 542 CA CYS A 52 -5.287 2.302 -7.630 1.00 10.00 C ATOM 543 C CYS A 52 -5.506 1.773 -9.042 1.00 10.00 C ATOM 544 O CYS A 52 -6.590 1.295 -9.376 1.00 10.00 O ATOM 545 CB CYS A 52 -5.270 3.831 -7.637 1.00 10.00 C ATOM 546 SG CYS A 52 -4.882 4.570 -6.035 1.00 10.00 S ATOM 0 H CYS A 52 -3.348 2.510 -6.876 1.00 10.00 H new ATOM 0 HA CYS A 52 -6.108 1.962 -6.998 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -4.539 4.172 -8.370 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -6.244 4.193 -7.966 1.00 10.00 H new ATOM 0 HG CYS A 52 -3.599 4.521 -5.834 1.00 10.00 H new ATOM 552 N GLN A 53 -4.457 1.835 -9.858 1.00 10.00 N ATOM 553 CA GLN A 53 -4.532 1.357 -11.230 1.00 10.00 C ATOM 554 C GLN A 53 -4.713 -0.156 -11.261 1.00 10.00 C ATOM 555 O GLN A 53 -5.354 -0.696 -12.163 1.00 10.00 O ATOM 556 CB GLN A 53 -3.280 1.765 -12.012 1.00 10.00 C ATOM 557 CG GLN A 53 -3.349 3.185 -12.551 1.00 10.00 C ATOM 558 CD GLN A 53 -2.142 3.569 -13.382 1.00 10.00 C ATOM 559 OE1 GLN A 53 -1.016 3.160 -13.098 1.00 10.00 O ATOM 560 NE2 GLN A 53 -2.370 4.356 -14.421 1.00 10.00 N ATOM 0 H GLN A 53 -3.547 2.211 -9.591 1.00 10.00 H new ATOM 0 HA GLN A 53 -5.398 1.816 -11.706 1.00 10.00 H new ATOM 0 HB2 GLN A 53 -2.408 1.671 -11.365 1.00 10.00 H new ATOM 0 HB3 GLN A 53 -3.137 1.074 -12.843 1.00 10.00 H new ATOM 0 HG2 GLN A 53 -4.248 3.293 -13.157 1.00 10.00 H new ATOM 0 HG3 GLN A 53 -3.442 3.879 -11.716 1.00 10.00 H new ATOM 0 HE21 GLN A 53 -3.318 4.673 -14.622 1.00 10.00 H new ATOM 0 HE22 GLN A 53 -1.597 4.645 -15.021 1.00 10.00 H new ATOM 569 N ARG A 54 -4.155 -0.833 -10.262 1.00 10.00 N ATOM 570 CA ARG A 54 -4.269 -2.282 -10.158 1.00 10.00 C ATOM 571 C ARG A 54 -5.720 -2.684 -9.897 1.00 10.00 C ATOM 572 O ARG A 54 -6.220 -3.655 -10.465 1.00 10.00 O ATOM 573 CB ARG A 54 -3.373 -2.809 -9.032 1.00 10.00 C ATOM 574 CG ARG A 54 -3.292 -4.330 -8.962 1.00 10.00 C ATOM 575 CD ARG A 54 -2.222 -4.880 -9.888 1.00 10.00 C ATOM 576 NE ARG A 54 -2.029 -6.318 -9.720 1.00 10.00 N ATOM 577 CZ ARG A 54 -0.976 -6.990 -10.182 1.00 10.00 C ATOM 578 NH1 ARG A 54 -0.015 -6.354 -10.844 1.00 10.00 N ATOM 579 NH2 ARG A 54 -0.874 -8.299 -9.973 1.00 10.00 N ATOM 0 H ARG A 54 -3.618 -0.399 -9.511 1.00 10.00 H new ATOM 0 HA ARG A 54 -3.945 -2.720 -11.102 1.00 10.00 H new ATOM 0 HB2 ARG A 54 -2.368 -2.408 -9.164 1.00 10.00 H new ATOM 0 HB3 ARG A 54 -3.745 -2.431 -8.079 1.00 10.00 H new ATOM 0 HG2 ARG A 54 -3.079 -4.636 -7.938 1.00 10.00 H new ATOM 0 HG3 ARG A 54 -4.258 -4.758 -9.228 1.00 10.00 H new ATOM 0 HD2 ARG A 54 -2.497 -4.671 -10.922 1.00 10.00 H new ATOM 0 HD3 ARG A 54 -1.280 -4.365 -9.698 1.00 10.00 H new ATOM 0 HE ARG A 54 -2.746 -6.841 -9.217 1.00 10.00 H new ATOM 0 HH11 ARG A 54 -0.083 -5.348 -11.000 1.00 10.00 H new ATOM 0 HH12 ARG A 54 0.790 -6.872 -11.196 1.00 10.00 H new ATOM 0 HH21 ARG A 54 -1.603 -8.792 -9.458 1.00 10.00 H new ATOM 0 HH22 ARG A 54 -0.066 -8.811 -10.328 1.00 10.00 H new ATOM 593 N GLN A 55 -6.394 -1.917 -9.043 1.00 10.00 N ATOM 594 CA GLN A 55 -7.783 -2.191 -8.694 1.00 10.00 C ATOM 595 C GLN A 55 -8.742 -1.643 -9.746 1.00 10.00 C ATOM 596 O GLN A 55 -9.888 -2.086 -9.839 1.00 10.00 O ATOM 597 CB GLN A 55 -8.112 -1.592 -7.326 1.00 10.00 C ATOM 598 CG GLN A 55 -7.389 -2.267 -6.170 1.00 10.00 C ATOM 599 CD GLN A 55 -7.494 -3.780 -6.217 1.00 10.00 C ATOM 600 OE1 GLN A 55 -6.617 -4.458 -6.750 1.00 10.00 O ATOM 601 NE2 GLN A 55 -8.571 -4.318 -5.670 1.00 10.00 N ATOM 0 H GLN A 55 -5.998 -1.099 -8.580 1.00 10.00 H new ATOM 0 HA GLN A 55 -7.908 -3.273 -8.654 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -7.857 -0.532 -7.333 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -9.187 -1.660 -7.159 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -6.338 -1.979 -6.187 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -7.803 -1.907 -5.228 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -9.276 -3.721 -5.238 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -8.697 -5.330 -5.681 1.00 10.00 H new ATOM 610 N GLY A 56 -8.274 -0.680 -10.533 1.00 10.00 N ATOM 611 CA GLY A 56 -9.106 -0.095 -11.567 1.00 10.00 C ATOM 612 C GLY A 56 -9.920 1.079 -11.055 1.00 10.00 C ATOM 613 O GLY A 56 -11.039 1.322 -11.509 1.00 10.00 O ATOM 0 H GLY A 56 -7.332 -0.294 -10.473 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -8.477 0.235 -12.393 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -9.779 -0.856 -11.963 1.00 10.00 H new ATOM 617 N VAL A 57 -9.358 1.807 -10.102 1.00 10.00 N ATOM 618 CA VAL A 57 -10.031 2.961 -9.520 1.00 10.00 C ATOM 619 C VAL A 57 -9.083 4.155 -9.473 1.00 10.00 C ATOM 620 O VAL A 57 -7.865 3.977 -9.479 1.00 10.00 O ATOM 621 CB VAL A 57 -10.536 2.661 -8.087 1.00 10.00 C ATOM 622 CG1 VAL A 57 -11.673 1.652 -8.111 1.00 10.00 C ATOM 623 CG2 VAL A 57 -9.396 2.167 -7.205 1.00 10.00 C ATOM 0 H VAL A 57 -8.434 1.619 -9.713 1.00 10.00 H new ATOM 0 HA VAL A 57 -10.889 3.191 -10.151 1.00 10.00 H new ATOM 0 HB VAL A 57 -10.918 3.590 -7.663 1.00 10.00 H new ATOM 0 HG11 VAL A 57 -12.009 1.459 -7.092 1.00 10.00 H new ATOM 0 HG12 VAL A 57 -12.501 2.051 -8.697 1.00 10.00 H new ATOM 0 HG13 VAL A 57 -11.325 0.722 -8.561 1.00 10.00 H new ATOM 0 HG21 VAL A 57 -9.773 1.962 -6.203 1.00 10.00 H new ATOM 0 HG22 VAL A 57 -8.978 1.254 -7.629 1.00 10.00 H new ATOM 0 HG23 VAL A 57 -8.620 2.931 -7.151 1.00 10.00 H new ATOM 633 N PRO A 58 -9.615 5.387 -9.452 1.00 10.00 N ATOM 634 CA PRO A 58 -8.790 6.599 -9.384 1.00 10.00 C ATOM 635 C PRO A 58 -8.014 6.673 -8.073 1.00 10.00 C ATOM 636 O PRO A 58 -8.372 6.023 -7.094 1.00 10.00 O ATOM 637 CB PRO A 58 -9.813 7.741 -9.466 1.00 10.00 C ATOM 638 CG PRO A 58 -11.107 7.131 -9.051 1.00 10.00 C ATOM 639 CD PRO A 58 -11.051 5.702 -9.509 1.00 10.00 C ATOM 0 HA PRO A 58 -8.041 6.634 -10.175 1.00 10.00 H new ATOM 0 HB2 PRO A 58 -9.537 8.566 -8.809 1.00 10.00 H new ATOM 0 HB3 PRO A 58 -9.873 8.145 -10.477 1.00 10.00 H new ATOM 0 HG2 PRO A 58 -11.239 7.190 -7.971 1.00 10.00 H new ATOM 0 HG3 PRO A 58 -11.949 7.654 -9.504 1.00 10.00 H new ATOM 0 HD2 PRO A 58 -11.633 5.048 -8.860 1.00 10.00 H new ATOM 0 HD3 PRO A 58 -11.449 5.586 -10.517 1.00 10.00 H new ATOM 647 N MET A 59 -6.953 7.461 -8.049 1.00 10.00 N ATOM 648 CA MET A 59 -6.142 7.594 -6.845 1.00 10.00 C ATOM 649 C MET A 59 -6.842 8.480 -5.817 1.00 10.00 C ATOM 650 O MET A 59 -7.662 9.322 -6.182 1.00 10.00 O ATOM 651 CB MET A 59 -4.765 8.173 -7.180 1.00 10.00 C ATOM 652 CG MET A 59 -3.759 8.040 -6.049 1.00 10.00 C ATOM 653 SD MET A 59 -2.220 8.918 -6.371 1.00 10.00 S ATOM 654 CE MET A 59 -1.312 8.549 -4.873 1.00 10.00 C ATOM 0 H MET A 59 -6.632 8.016 -8.842 1.00 10.00 H new ATOM 0 HA MET A 59 -6.010 6.599 -6.419 1.00 10.00 H new ATOM 0 HB2 MET A 59 -4.374 7.670 -8.064 1.00 10.00 H new ATOM 0 HB3 MET A 59 -4.875 9.227 -7.435 1.00 10.00 H new ATOM 0 HG2 MET A 59 -4.202 8.420 -5.129 1.00 10.00 H new ATOM 0 HG3 MET A 59 -3.542 6.984 -5.885 1.00 10.00 H new ATOM 0 HE1 MET A 59 -0.753 9.431 -4.560 1.00 10.00 H new ATOM 0 HE2 MET A 59 -2.010 8.263 -4.086 1.00 10.00 H new ATOM 0 HE3 MET A 59 -0.620 7.728 -5.060 1.00 10.00 H new ATOM 664 N ASN A 60 -6.523 8.249 -4.540 1.00 10.00 N ATOM 665 CA ASN A 60 -7.075 9.011 -3.406 1.00 10.00 C ATOM 666 C ASN A 60 -8.497 8.568 -3.066 1.00 10.00 C ATOM 667 O ASN A 60 -9.117 9.100 -2.146 1.00 10.00 O ATOM 668 CB ASN A 60 -7.028 10.526 -3.669 1.00 10.00 C ATOM 669 CG ASN A 60 -7.101 11.352 -2.394 1.00 10.00 C ATOM 670 OD1 ASN A 60 -6.734 10.889 -1.313 1.00 10.00 O ATOM 671 ND2 ASN A 60 -7.568 12.586 -2.516 1.00 10.00 N ATOM 0 H ASN A 60 -5.867 7.521 -4.257 1.00 10.00 H new ATOM 0 HA ASN A 60 -6.444 8.798 -2.544 1.00 10.00 H new ATOM 0 HB2 ASN A 60 -6.108 10.769 -4.201 1.00 10.00 H new ATOM 0 HB3 ASN A 60 -7.856 10.802 -4.322 1.00 10.00 H new ATOM 0 HD21 ASN A 60 -7.634 13.190 -1.697 1.00 10.00 H new ATOM 0 HD22 ASN A 60 -7.862 12.932 -3.429 1.00 10.00 H new ATOM 678 N SER A 61 -9.001 7.576 -3.790 1.00 10.00 N ATOM 679 CA SER A 61 -10.342 7.064 -3.545 1.00 10.00 C ATOM 680 C SER A 61 -10.301 5.991 -2.463 1.00 10.00 C ATOM 681 O SER A 61 -11.309 5.692 -1.821 1.00 10.00 O ATOM 682 CB SER A 61 -10.936 6.491 -4.834 1.00 10.00 C ATOM 683 OG SER A 61 -10.140 5.430 -5.336 1.00 10.00 O ATOM 0 H SER A 61 -8.502 7.112 -4.549 1.00 10.00 H new ATOM 0 HA SER A 61 -10.974 7.885 -3.206 1.00 10.00 H new ATOM 0 HB2 SER A 61 -11.948 6.132 -4.644 1.00 10.00 H new ATOM 0 HB3 SER A 61 -11.013 7.278 -5.584 1.00 10.00 H new ATOM 0 HG SER A 61 -9.354 5.798 -5.791 1.00 10.00 H new ATOM 689 N LEU A 62 -9.122 5.416 -2.273 1.00 10.00 N ATOM 690 CA LEU A 62 -8.917 4.379 -1.280 1.00 10.00 C ATOM 691 C LEU A 62 -7.938 4.863 -0.218 1.00 10.00 C ATOM 692 O LEU A 62 -6.854 5.360 -0.540 1.00 10.00 O ATOM 693 CB LEU A 62 -8.378 3.102 -1.933 1.00 10.00 C ATOM 694 CG LEU A 62 -9.254 2.499 -3.033 1.00 10.00 C ATOM 695 CD1 LEU A 62 -8.556 1.312 -3.677 1.00 10.00 C ATOM 696 CD2 LEU A 62 -10.609 2.081 -2.476 1.00 10.00 C ATOM 0 H LEU A 62 -8.284 5.657 -2.803 1.00 10.00 H new ATOM 0 HA LEU A 62 -9.877 4.155 -0.815 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -7.396 3.318 -2.353 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -8.234 2.351 -1.156 1.00 10.00 H new ATOM 0 HG LEU A 62 -9.418 3.261 -3.795 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -9.193 0.895 -4.457 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -7.612 1.638 -4.114 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -8.362 0.551 -2.922 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -11.215 1.655 -3.275 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -10.466 1.337 -1.693 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -11.116 2.952 -2.061 1.00 10.00 H new ATOM 708 N ARG A 63 -8.324 4.723 1.038 1.00 10.00 N ATOM 709 CA ARG A 63 -7.481 5.142 2.144 1.00 10.00 C ATOM 710 C ARG A 63 -6.765 3.942 2.749 1.00 10.00 C ATOM 711 O ARG A 63 -7.376 2.900 3.003 1.00 10.00 O ATOM 712 CB ARG A 63 -8.302 5.872 3.215 1.00 10.00 C ATOM 713 CG ARG A 63 -9.451 5.056 3.792 1.00 10.00 C ATOM 714 CD ARG A 63 -10.179 5.823 4.883 1.00 10.00 C ATOM 715 NE ARG A 63 -11.275 5.055 5.478 1.00 10.00 N ATOM 716 CZ ARG A 63 -12.569 5.382 5.366 1.00 10.00 C ATOM 717 NH1 ARG A 63 -12.938 6.464 4.688 1.00 10.00 N ATOM 718 NH2 ARG A 63 -13.494 4.637 5.957 1.00 10.00 N ATOM 0 H ARG A 63 -9.219 4.321 1.318 1.00 10.00 H new ATOM 0 HA ARG A 63 -6.735 5.837 1.758 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -7.637 6.166 4.027 1.00 10.00 H new ATOM 0 HB3 ARG A 63 -8.704 6.789 2.785 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -10.151 4.797 2.998 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -9.067 4.119 4.197 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -9.469 6.099 5.663 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -10.574 6.750 4.468 1.00 10.00 H new ATOM 0 HE ARG A 63 -11.038 4.218 6.011 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -12.233 7.054 4.247 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -13.926 6.704 4.609 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -13.220 3.816 6.496 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -14.480 4.885 5.872 1.00 10.00 H new ATOM 732 N PHE A 64 -5.466 4.091 2.960 1.00 10.00 N ATOM 733 CA PHE A 64 -4.654 3.029 3.532 1.00 10.00 C ATOM 734 C PHE A 64 -4.479 3.252 5.023 1.00 10.00 C ATOM 735 O PHE A 64 -3.956 4.283 5.448 1.00 10.00 O ATOM 736 CB PHE A 64 -3.287 2.970 2.847 1.00 10.00 C ATOM 737 CG PHE A 64 -3.346 2.463 1.436 1.00 10.00 C ATOM 738 CD1 PHE A 64 -3.459 3.344 0.376 1.00 10.00 C ATOM 739 CD2 PHE A 64 -3.280 1.107 1.171 1.00 10.00 C ATOM 740 CE1 PHE A 64 -3.507 2.882 -0.927 1.00 10.00 C ATOM 741 CE2 PHE A 64 -3.328 0.636 -0.127 1.00 10.00 C ATOM 742 CZ PHE A 64 -3.441 1.525 -1.176 1.00 10.00 C ATOM 0 H PHE A 64 -4.949 4.943 2.742 1.00 10.00 H new ATOM 0 HA PHE A 64 -5.164 2.079 3.372 1.00 10.00 H new ATOM 0 HB2 PHE A 64 -2.845 3.967 2.848 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -2.626 2.327 3.428 1.00 10.00 H new ATOM 0 HD1 PHE A 64 -3.510 4.406 0.568 1.00 10.00 H new ATOM 0 HD2 PHE A 64 -3.190 0.408 1.989 1.00 10.00 H new ATOM 0 HE1 PHE A 64 -3.596 3.580 -1.747 1.00 10.00 H new ATOM 0 HE2 PHE A 64 -3.277 -0.425 -0.320 1.00 10.00 H new ATOM 0 HZ PHE A 64 -3.478 1.160 -2.192 1.00 10.00 H new ATOM 752 N LEU A 65 -4.921 2.287 5.812 1.00 10.00 N ATOM 753 CA LEU A 65 -4.828 2.385 7.256 1.00 10.00 C ATOM 754 C LEU A 65 -3.733 1.478 7.798 1.00 10.00 C ATOM 755 O LEU A 65 -3.832 0.249 7.735 1.00 10.00 O ATOM 756 CB LEU A 65 -6.169 2.032 7.905 1.00 10.00 C ATOM 757 CG LEU A 65 -7.307 3.017 7.624 1.00 10.00 C ATOM 758 CD1 LEU A 65 -8.581 2.563 8.311 1.00 10.00 C ATOM 759 CD2 LEU A 65 -6.926 4.421 8.078 1.00 10.00 C ATOM 0 H LEU A 65 -5.349 1.425 5.474 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.574 3.415 7.504 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -6.472 1.043 7.561 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -6.026 1.964 8.983 1.00 10.00 H new ATOM 0 HG LEU A 65 -7.484 3.042 6.549 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -9.380 3.274 8.102 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -8.864 1.578 7.939 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -8.415 2.510 9.387 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -7.748 5.106 7.870 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -6.722 4.414 9.149 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -6.036 4.748 7.541 1.00 10.00 H new ATOM 771 N PHE A 66 -2.697 2.098 8.330 1.00 10.00 N ATOM 772 CA PHE A 66 -1.571 1.385 8.909 1.00 10.00 C ATOM 773 C PHE A 66 -1.429 1.801 10.366 1.00 10.00 C ATOM 774 O PHE A 66 -1.127 2.961 10.653 1.00 10.00 O ATOM 775 CB PHE A 66 -0.290 1.707 8.135 1.00 10.00 C ATOM 776 CG PHE A 66 0.874 0.825 8.487 1.00 10.00 C ATOM 777 CD1 PHE A 66 0.926 -0.484 8.037 1.00 10.00 C ATOM 778 CD2 PHE A 66 1.916 1.308 9.257 1.00 10.00 C ATOM 779 CE1 PHE A 66 1.996 -1.297 8.351 1.00 10.00 C ATOM 780 CE2 PHE A 66 2.990 0.498 9.576 1.00 10.00 C ATOM 781 CZ PHE A 66 3.030 -0.806 9.120 1.00 10.00 C ATOM 0 H PHE A 66 -2.611 3.113 8.374 1.00 10.00 H new ATOM 0 HA PHE A 66 -1.742 0.310 8.850 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -0.491 1.618 7.067 1.00 10.00 H new ATOM 0 HB3 PHE A 66 -0.016 2.745 8.322 1.00 10.00 H new ATOM 0 HD1 PHE A 66 0.119 -0.873 7.433 1.00 10.00 H new ATOM 0 HD2 PHE A 66 1.891 2.327 9.613 1.00 10.00 H new ATOM 0 HE1 PHE A 66 2.024 -2.316 7.995 1.00 10.00 H new ATOM 0 HE2 PHE A 66 3.797 0.884 10.181 1.00 10.00 H new ATOM 0 HZ PHE A 66 3.870 -1.439 9.365 1.00 10.00 H new ATOM 791 N GLU A 67 -1.683 0.863 11.279 1.00 10.00 N ATOM 792 CA GLU A 67 -1.616 1.132 12.716 1.00 10.00 C ATOM 793 C GLU A 67 -2.658 2.175 13.106 1.00 10.00 C ATOM 794 O GLU A 67 -2.490 2.911 14.079 1.00 10.00 O ATOM 795 CB GLU A 67 -0.215 1.608 13.112 1.00 10.00 C ATOM 796 CG GLU A 67 0.816 0.497 13.162 1.00 10.00 C ATOM 797 CD GLU A 67 0.640 -0.397 14.368 1.00 10.00 C ATOM 798 OE1 GLU A 67 -0.163 -1.347 14.301 1.00 10.00 O ATOM 799 OE2 GLU A 67 1.308 -0.156 15.392 1.00 10.00 O ATOM 0 H GLU A 67 -1.939 -0.097 11.046 1.00 10.00 H new ATOM 0 HA GLU A 67 -1.828 0.206 13.250 1.00 10.00 H new ATOM 0 HB2 GLU A 67 0.115 2.366 12.402 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -0.267 2.088 14.089 1.00 10.00 H new ATOM 0 HG2 GLU A 67 0.744 -0.103 12.255 1.00 10.00 H new ATOM 0 HG3 GLU A 67 1.815 0.932 13.178 1.00 10.00 H new ATOM 806 N GLY A 68 -3.734 2.236 12.329 1.00 10.00 N ATOM 807 CA GLY A 68 -4.792 3.192 12.582 1.00 10.00 C ATOM 808 C GLY A 68 -4.523 4.529 11.914 1.00 10.00 C ATOM 809 O GLY A 68 -5.413 5.377 11.811 1.00 10.00 O ATOM 0 H GLY A 68 -3.891 1.633 11.521 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -5.738 2.790 12.220 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -4.899 3.339 13.657 1.00 10.00 H new ATOM 813 N GLN A 69 -3.292 4.707 11.450 1.00 10.00 N ATOM 814 CA GLN A 69 -2.877 5.939 10.795 1.00 10.00 C ATOM 815 C GLN A 69 -3.088 5.828 9.292 1.00 10.00 C ATOM 816 O GLN A 69 -2.892 4.762 8.711 1.00 10.00 O ATOM 817 CB GLN A 69 -1.395 6.212 11.076 1.00 10.00 C ATOM 818 CG GLN A 69 -0.976 5.915 12.505 1.00 10.00 C ATOM 819 CD GLN A 69 -1.251 7.065 13.454 1.00 10.00 C ATOM 820 OE1 GLN A 69 -2.167 7.860 13.242 1.00 10.00 O ATOM 821 NE2 GLN A 69 -0.466 7.153 14.513 1.00 10.00 N ATOM 0 H GLN A 69 -2.557 4.003 11.517 1.00 10.00 H new ATOM 0 HA GLN A 69 -3.478 6.759 11.187 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -0.790 5.611 10.398 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -1.180 7.257 10.854 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -1.503 5.028 12.856 1.00 10.00 H new ATOM 0 HG3 GLN A 69 0.089 5.682 12.525 1.00 10.00 H new ATOM 0 HE21 GLN A 69 0.282 6.473 14.651 1.00 10.00 H new ATOM 0 HE22 GLN A 69 -0.608 7.901 15.192 1.00 10.00 H new ATOM 830 N ARG A 70 -3.489 6.918 8.661 1.00 10.00 N ATOM 831 CA ARG A 70 -3.695 6.906 7.222 1.00 10.00 C ATOM 832 C ARG A 70 -2.392 7.257 6.512 1.00 10.00 C ATOM 833 O ARG A 70 -1.741 8.257 6.837 1.00 10.00 O ATOM 834 CB ARG A 70 -4.830 7.852 6.806 1.00 10.00 C ATOM 835 CG ARG A 70 -4.562 9.323 7.083 1.00 10.00 C ATOM 836 CD ARG A 70 -5.737 10.188 6.651 1.00 10.00 C ATOM 837 NE ARG A 70 -6.125 9.941 5.260 1.00 10.00 N ATOM 838 CZ ARG A 70 -7.365 10.089 4.790 1.00 10.00 C ATOM 839 NH1 ARG A 70 -8.345 10.489 5.594 1.00 10.00 N ATOM 840 NH2 ARG A 70 -7.631 9.824 3.517 1.00 10.00 N ATOM 0 H ARG A 70 -3.677 7.812 9.115 1.00 10.00 H new ATOM 0 HA ARG A 70 -3.997 5.902 6.924 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -5.019 7.725 5.740 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -5.740 7.558 7.328 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -4.373 9.467 8.147 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -3.662 9.637 6.554 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -6.588 9.994 7.304 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -5.476 11.239 6.772 1.00 10.00 H new ATOM 0 HE ARG A 70 -5.401 9.636 4.609 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -8.151 10.685 6.576 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -9.291 10.600 5.229 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -6.887 9.507 2.896 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -8.580 9.938 3.160 1.00 10.00 H new ATOM 854 N ILE A 71 -1.999 6.412 5.569 1.00 10.00 N ATOM 855 CA ILE A 71 -0.764 6.610 4.822 1.00 10.00 C ATOM 856 C ILE A 71 -0.842 7.840 3.921 1.00 10.00 C ATOM 857 O ILE A 71 -1.687 7.927 3.024 1.00 10.00 O ATOM 858 CB ILE A 71 -0.416 5.365 3.978 1.00 10.00 C ATOM 859 CG1 ILE A 71 -0.188 4.149 4.885 1.00 10.00 C ATOM 860 CG2 ILE A 71 0.813 5.621 3.117 1.00 10.00 C ATOM 861 CD1 ILE A 71 0.924 4.339 5.895 1.00 10.00 C ATOM 0 H ILE A 71 -2.521 5.578 5.302 1.00 10.00 H new ATOM 0 HA ILE A 71 0.027 6.770 5.555 1.00 10.00 H new ATOM 0 HB ILE A 71 -1.258 5.155 3.318 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -1.113 3.925 5.416 1.00 10.00 H new ATOM 0 HG13 ILE A 71 0.042 3.283 4.265 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.039 4.730 2.531 1.00 10.00 H new ATOM 0 HG22 ILE A 71 0.619 6.457 2.445 1.00 10.00 H new ATOM 0 HG23 ILE A 71 1.662 5.859 3.757 1.00 10.00 H new ATOM 0 HD11 ILE A 71 1.025 3.437 6.499 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.861 4.532 5.373 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.688 5.184 6.541 1.00 10.00 H new ATOM 873 N ALA A 72 0.047 8.786 4.172 1.00 10.00 N ATOM 874 CA ALA A 72 0.104 10.014 3.397 1.00 10.00 C ATOM 875 C ALA A 72 0.951 9.812 2.147 1.00 10.00 C ATOM 876 O ALA A 72 1.686 8.831 2.035 1.00 10.00 O ATOM 877 CB ALA A 72 0.655 11.149 4.245 1.00 10.00 C ATOM 0 H ALA A 72 0.745 8.726 4.913 1.00 10.00 H new ATOM 0 HA ALA A 72 -0.906 10.279 3.086 1.00 10.00 H new ATOM 0 HB1 ALA A 72 0.692 12.062 3.651 1.00 10.00 H new ATOM 0 HB2 ALA A 72 0.009 11.304 5.109 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.660 10.896 4.584 1.00 10.00 H new ATOM 883 N ASP A 73 0.863 10.752 1.218 1.00 10.00 N ATOM 884 CA ASP A 73 1.607 10.663 -0.034 1.00 10.00 C ATOM 885 C ASP A 73 3.073 11.030 0.168 1.00 10.00 C ATOM 886 O ASP A 73 3.906 10.822 -0.713 1.00 10.00 O ATOM 887 CB ASP A 73 0.982 11.576 -1.088 1.00 10.00 C ATOM 888 CG ASP A 73 -0.251 10.971 -1.737 1.00 10.00 C ATOM 889 OD1 ASP A 73 -0.787 9.976 -1.207 1.00 10.00 O ATOM 890 OD2 ASP A 73 -0.696 11.494 -2.783 1.00 10.00 O ATOM 0 H ASP A 73 0.284 11.587 1.306 1.00 10.00 H new ATOM 0 HA ASP A 73 1.558 9.630 -0.379 1.00 10.00 H new ATOM 0 HB2 ASP A 73 0.714 12.526 -0.626 1.00 10.00 H new ATOM 0 HB3 ASP A 73 1.722 11.794 -1.858 1.00 10.00 H new ATOM 895 N ASN A 74 3.379 11.578 1.333 1.00 10.00 N ATOM 896 CA ASN A 74 4.741 11.973 1.664 1.00 10.00 C ATOM 897 C ASN A 74 5.330 11.040 2.716 1.00 10.00 C ATOM 898 O ASN A 74 6.280 11.393 3.413 1.00 10.00 O ATOM 899 CB ASN A 74 4.773 13.421 2.166 1.00 10.00 C ATOM 900 CG ASN A 74 3.840 13.654 3.341 1.00 10.00 C ATOM 901 OD1 ASN A 74 2.638 13.855 3.165 1.00 10.00 O ATOM 902 ND2 ASN A 74 4.383 13.640 4.549 1.00 10.00 N ATOM 0 H ASN A 74 2.698 11.761 2.070 1.00 10.00 H new ATOM 0 HA ASN A 74 5.345 11.903 0.760 1.00 10.00 H new ATOM 0 HB2 ASN A 74 5.791 13.677 2.459 1.00 10.00 H new ATOM 0 HB3 ASN A 74 4.498 14.090 1.351 1.00 10.00 H new ATOM 0 HD21 ASN A 74 3.801 13.799 5.372 1.00 10.00 H new ATOM 0 HD22 ASN A 74 5.383 13.470 4.657 1.00 10.00 H new ATOM 909 N HIS A 75 4.763 9.844 2.822 1.00 10.00 N ATOM 910 CA HIS A 75 5.226 8.858 3.791 1.00 10.00 C ATOM 911 C HIS A 75 6.200 7.874 3.153 1.00 10.00 C ATOM 912 O HIS A 75 6.206 7.689 1.935 1.00 10.00 O ATOM 913 CB HIS A 75 4.040 8.095 4.387 1.00 10.00 C ATOM 914 CG HIS A 75 3.454 8.735 5.606 1.00 10.00 C ATOM 915 ND1 HIS A 75 2.184 8.428 6.033 1.00 10.00 N ATOM 916 CD2 HIS A 75 4.002 9.634 6.457 1.00 10.00 C ATOM 917 CE1 HIS A 75 1.990 9.138 7.129 1.00 10.00 C ATOM 918 NE2 HIS A 75 3.062 9.883 7.423 1.00 10.00 N ATOM 0 H HIS A 75 3.980 9.533 2.247 1.00 10.00 H new ATOM 0 HA HIS A 75 5.745 9.394 4.586 1.00 10.00 H new ATOM 0 HB2 HIS A 75 3.263 8.003 3.629 1.00 10.00 H new ATOM 0 HB3 HIS A 75 4.361 7.084 4.639 1.00 10.00 H new ATOM 0 HD2 HIS A 75 4.988 10.070 6.388 1.00 10.00 H new ATOM 0 HE1 HIS A 75 1.082 9.120 7.714 1.00 10.00 H new ATOM 0 HE2 HIS A 75 3.161 10.517 8.216 1.00 10.00 H new ATOM 926 N THR A 76 7.030 7.259 3.983 1.00 10.00 N ATOM 927 CA THR A 76 8.000 6.277 3.524 1.00 10.00 C ATOM 928 C THR A 76 7.917 5.017 4.386 1.00 10.00 C ATOM 929 O THR A 76 7.530 5.092 5.549 1.00 10.00 O ATOM 930 CB THR A 76 9.436 6.844 3.556 1.00 10.00 C ATOM 931 OG1 THR A 76 9.586 7.764 4.648 1.00 10.00 O ATOM 932 CG2 THR A 76 9.769 7.547 2.249 1.00 10.00 C ATOM 0 H THR A 76 7.050 7.426 4.989 1.00 10.00 H new ATOM 0 HA THR A 76 7.760 6.027 2.491 1.00 10.00 H new ATOM 0 HB THR A 76 10.124 6.009 3.691 1.00 10.00 H new ATOM 0 HG1 THR A 76 8.769 7.765 5.189 1.00 10.00 H new ATOM 0 HG21 THR A 76 10.785 7.938 2.295 1.00 10.00 H new ATOM 0 HG22 THR A 76 9.690 6.839 1.424 1.00 10.00 H new ATOM 0 HG23 THR A 76 9.071 8.369 2.090 1.00 10.00 H new ATOM 940 N PRO A 77 8.274 3.843 3.834 1.00 10.00 N ATOM 941 CA PRO A 77 8.214 2.561 4.566 1.00 10.00 C ATOM 942 C PRO A 77 9.132 2.513 5.788 1.00 10.00 C ATOM 943 O PRO A 77 8.951 1.679 6.677 1.00 10.00 O ATOM 944 CB PRO A 77 8.668 1.528 3.525 1.00 10.00 C ATOM 945 CG PRO A 77 8.507 2.198 2.205 1.00 10.00 C ATOM 946 CD PRO A 77 8.749 3.655 2.451 1.00 10.00 C ATOM 0 HA PRO A 77 7.215 2.387 4.965 1.00 10.00 H new ATOM 0 HB2 PRO A 77 9.704 1.232 3.691 1.00 10.00 H new ATOM 0 HB3 PRO A 77 8.065 0.622 3.582 1.00 10.00 H new ATOM 0 HG2 PRO A 77 9.215 1.802 1.477 1.00 10.00 H new ATOM 0 HG3 PRO A 77 7.508 2.031 1.801 1.00 10.00 H new ATOM 0 HD2 PRO A 77 9.803 3.912 2.348 1.00 10.00 H new ATOM 0 HD3 PRO A 77 8.199 4.280 1.747 1.00 10.00 H new ATOM 954 N LYS A 78 10.113 3.403 5.830 1.00 10.00 N ATOM 955 CA LYS A 78 11.056 3.450 6.943 1.00 10.00 C ATOM 956 C LYS A 78 10.392 3.976 8.217 1.00 10.00 C ATOM 957 O LYS A 78 10.685 3.504 9.317 1.00 10.00 O ATOM 958 CB LYS A 78 12.264 4.324 6.577 1.00 10.00 C ATOM 959 CG LYS A 78 13.305 4.459 7.685 1.00 10.00 C ATOM 960 CD LYS A 78 13.802 3.102 8.173 1.00 10.00 C ATOM 961 CE LYS A 78 14.609 2.374 7.111 1.00 10.00 C ATOM 962 NZ LYS A 78 15.079 1.044 7.588 1.00 10.00 N ATOM 0 H LYS A 78 10.278 4.103 5.107 1.00 10.00 H new ATOM 0 HA LYS A 78 11.395 2.432 7.137 1.00 10.00 H new ATOM 0 HB2 LYS A 78 12.745 3.906 5.693 1.00 10.00 H new ATOM 0 HB3 LYS A 78 11.909 5.318 6.306 1.00 10.00 H new ATOM 0 HG2 LYS A 78 14.149 5.044 7.320 1.00 10.00 H new ATOM 0 HG3 LYS A 78 12.874 5.009 8.522 1.00 10.00 H new ATOM 0 HD2 LYS A 78 14.416 3.240 9.063 1.00 10.00 H new ATOM 0 HD3 LYS A 78 12.950 2.488 8.465 1.00 10.00 H new ATOM 0 HE2 LYS A 78 14.000 2.245 6.217 1.00 10.00 H new ATOM 0 HE3 LYS A 78 15.468 2.982 6.827 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 15.626 0.579 6.835 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 15.681 1.169 8.427 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 14.259 0.454 7.836 1.00 10.00 H new ATOM 976 N GLU A 79 9.496 4.941 8.074 1.00 10.00 N ATOM 977 CA GLU A 79 8.822 5.511 9.232 1.00 10.00 C ATOM 978 C GLU A 79 7.608 4.670 9.610 1.00 10.00 C ATOM 979 O GLU A 79 7.194 3.793 8.846 1.00 10.00 O ATOM 980 CB GLU A 79 8.417 6.960 8.965 1.00 10.00 C ATOM 981 CG GLU A 79 7.395 7.125 7.855 1.00 10.00 C ATOM 982 CD GLU A 79 7.340 8.543 7.331 1.00 10.00 C ATOM 983 OE1 GLU A 79 7.098 9.467 8.136 1.00 10.00 O ATOM 984 OE2 GLU A 79 7.552 8.741 6.119 1.00 10.00 O ATOM 0 H GLU A 79 9.220 5.343 7.178 1.00 10.00 H new ATOM 0 HA GLU A 79 9.518 5.505 10.071 1.00 10.00 H new ATOM 0 HB2 GLU A 79 8.013 7.388 9.883 1.00 10.00 H new ATOM 0 HB3 GLU A 79 9.308 7.534 8.711 1.00 10.00 H new ATOM 0 HG2 GLU A 79 7.638 6.447 7.037 1.00 10.00 H new ATOM 0 HG3 GLU A 79 6.411 6.838 8.225 1.00 10.00 H new ATOM 991 N LEU A 80 7.063 4.931 10.801 1.00 10.00 N ATOM 992 CA LEU A 80 5.893 4.213 11.330 1.00 10.00 C ATOM 993 C LEU A 80 6.266 2.797 11.776 1.00 10.00 C ATOM 994 O LEU A 80 5.835 2.338 12.836 1.00 10.00 O ATOM 995 CB LEU A 80 4.747 4.174 10.313 1.00 10.00 C ATOM 996 CG LEU A 80 3.943 5.471 10.190 1.00 10.00 C ATOM 997 CD1 LEU A 80 3.170 5.502 8.882 1.00 10.00 C ATOM 998 CD2 LEU A 80 2.996 5.619 11.372 1.00 10.00 C ATOM 0 H LEU A 80 7.420 5.649 11.431 1.00 10.00 H new ATOM 0 HA LEU A 80 5.545 4.765 12.203 1.00 10.00 H new ATOM 0 HB2 LEU A 80 5.159 3.926 9.335 1.00 10.00 H new ATOM 0 HB3 LEU A 80 4.067 3.368 10.587 1.00 10.00 H new ATOM 0 HG LEU A 80 4.639 6.310 10.194 1.00 10.00 H new ATOM 0 HD11 LEU A 80 2.606 6.432 8.815 1.00 10.00 H new ATOM 0 HD12 LEU A 80 3.867 5.439 8.046 1.00 10.00 H new ATOM 0 HD13 LEU A 80 2.482 4.657 8.846 1.00 10.00 H new ATOM 0 HD21 LEU A 80 2.431 6.546 11.272 1.00 10.00 H new ATOM 0 HD22 LEU A 80 2.307 4.774 11.394 1.00 10.00 H new ATOM 0 HD23 LEU A 80 3.571 5.643 12.298 1.00 10.00 H new ATOM 1010 N GLY A 81 7.065 2.112 10.971 1.00 10.00 N ATOM 1011 CA GLY A 81 7.489 0.771 11.310 1.00 10.00 C ATOM 1012 C GLY A 81 6.890 -0.281 10.402 1.00 10.00 C ATOM 1013 O GLY A 81 5.963 -0.992 10.794 1.00 10.00 O ATOM 0 H GLY A 81 7.428 2.464 10.085 1.00 10.00 H new ATOM 0 HA2 GLY A 81 8.576 0.714 11.256 1.00 10.00 H new ATOM 0 HA3 GLY A 81 7.209 0.556 12.341 1.00 10.00 H new ATOM 1017 N MET A 82 7.409 -0.377 9.186 1.00 10.00 N ATOM 1018 CA MET A 82 6.933 -1.360 8.223 1.00 10.00 C ATOM 1019 C MET A 82 7.939 -2.497 8.095 1.00 10.00 C ATOM 1020 O MET A 82 9.083 -2.284 7.687 1.00 10.00 O ATOM 1021 CB MET A 82 6.702 -0.720 6.851 1.00 10.00 C ATOM 1022 CG MET A 82 5.452 0.143 6.770 1.00 10.00 C ATOM 1023 SD MET A 82 4.903 0.409 5.074 1.00 10.00 S ATOM 1024 CE MET A 82 3.464 1.441 5.346 1.00 10.00 C ATOM 0 H MET A 82 8.163 0.217 8.842 1.00 10.00 H new ATOM 0 HA MET A 82 5.983 -1.754 8.585 1.00 10.00 H new ATOM 0 HB2 MET A 82 7.569 -0.110 6.596 1.00 10.00 H new ATOM 0 HB3 MET A 82 6.635 -1.508 6.101 1.00 10.00 H new ATOM 0 HG2 MET A 82 4.651 -0.330 7.337 1.00 10.00 H new ATOM 0 HG3 MET A 82 5.649 1.107 7.240 1.00 10.00 H new ATOM 0 HE1 MET A 82 3.010 1.692 4.387 1.00 10.00 H new ATOM 0 HE2 MET A 82 2.741 0.903 5.960 1.00 10.00 H new ATOM 0 HE3 MET A 82 3.764 2.356 5.857 1.00 10.00 H new ATOM 1034 N GLU A 83 7.518 -3.697 8.460 1.00 10.00 N ATOM 1035 CA GLU A 83 8.381 -4.863 8.385 1.00 10.00 C ATOM 1036 C GLU A 83 7.801 -5.913 7.446 1.00 10.00 C ATOM 1037 O GLU A 83 6.775 -5.692 6.806 1.00 10.00 O ATOM 1038 CB GLU A 83 8.577 -5.468 9.777 1.00 10.00 C ATOM 1039 CG GLU A 83 9.815 -4.956 10.494 1.00 10.00 C ATOM 1040 CD GLU A 83 11.067 -5.086 9.653 1.00 10.00 C ATOM 1041 OE1 GLU A 83 11.211 -6.102 8.945 1.00 10.00 O ATOM 1042 OE2 GLU A 83 11.916 -4.168 9.696 1.00 10.00 O ATOM 0 H GLU A 83 6.580 -3.889 8.812 1.00 10.00 H new ATOM 0 HA GLU A 83 9.346 -4.542 7.992 1.00 10.00 H new ATOM 0 HB2 GLU A 83 7.699 -5.251 10.385 1.00 10.00 H new ATOM 0 HB3 GLU A 83 8.642 -6.552 9.687 1.00 10.00 H new ATOM 0 HG2 GLU A 83 9.669 -3.910 10.763 1.00 10.00 H new ATOM 0 HG3 GLU A 83 9.947 -5.509 11.424 1.00 10.00 H new ATOM 1049 N GLU A 84 8.476 -7.050 7.366 1.00 10.00 N ATOM 1050 CA GLU A 84 8.033 -8.150 6.522 1.00 10.00 C ATOM 1051 C GLU A 84 6.743 -8.748 7.084 1.00 10.00 C ATOM 1052 O GLU A 84 6.592 -8.875 8.303 1.00 10.00 O ATOM 1053 CB GLU A 84 9.137 -9.216 6.436 1.00 10.00 C ATOM 1054 CG GLU A 84 8.738 -10.484 5.695 1.00 10.00 C ATOM 1055 CD GLU A 84 8.410 -10.239 4.234 1.00 10.00 C ATOM 1056 OE1 GLU A 84 9.337 -10.260 3.394 1.00 10.00 O ATOM 1057 OE2 GLU A 84 7.222 -10.044 3.919 1.00 10.00 O ATOM 0 H GLU A 84 9.338 -7.236 7.879 1.00 10.00 H new ATOM 0 HA GLU A 84 7.831 -7.779 5.517 1.00 10.00 H new ATOM 0 HB2 GLU A 84 10.006 -8.781 5.943 1.00 10.00 H new ATOM 0 HB3 GLU A 84 9.445 -9.483 7.447 1.00 10.00 H new ATOM 0 HG2 GLU A 84 9.550 -11.208 5.763 1.00 10.00 H new ATOM 0 HG3 GLU A 84 7.872 -10.928 6.186 1.00 10.00 H new ATOM 1064 N GLU A 85 5.813 -9.084 6.191 1.00 10.00 N ATOM 1065 CA GLU A 85 4.529 -9.674 6.572 1.00 10.00 C ATOM 1066 C GLU A 85 3.665 -8.688 7.361 1.00 10.00 C ATOM 1067 O GLU A 85 2.754 -9.098 8.085 1.00 10.00 O ATOM 1068 CB GLU A 85 4.741 -10.954 7.390 1.00 10.00 C ATOM 1069 CG GLU A 85 5.041 -12.181 6.548 1.00 10.00 C ATOM 1070 CD GLU A 85 3.820 -12.698 5.821 1.00 10.00 C ATOM 1071 OE1 GLU A 85 3.875 -12.826 4.585 1.00 10.00 O ATOM 1072 OE2 GLU A 85 2.799 -12.976 6.482 1.00 10.00 O ATOM 0 H GLU A 85 5.927 -8.956 5.186 1.00 10.00 H new ATOM 0 HA GLU A 85 4.002 -9.923 5.651 1.00 10.00 H new ATOM 0 HB2 GLU A 85 5.563 -10.795 8.088 1.00 10.00 H new ATOM 0 HB3 GLU A 85 3.849 -11.144 7.986 1.00 10.00 H new ATOM 0 HG2 GLU A 85 5.817 -11.938 5.822 1.00 10.00 H new ATOM 0 HG3 GLU A 85 5.439 -12.968 7.188 1.00 10.00 H new ATOM 1079 N ASP A 86 3.942 -7.395 7.223 1.00 10.00 N ATOM 1080 CA ASP A 86 3.163 -6.377 7.927 1.00 10.00 C ATOM 1081 C ASP A 86 1.799 -6.241 7.269 1.00 10.00 C ATOM 1082 O ASP A 86 1.703 -6.104 6.050 1.00 10.00 O ATOM 1083 CB ASP A 86 3.886 -5.029 7.930 1.00 10.00 C ATOM 1084 CG ASP A 86 4.027 -4.454 9.327 1.00 10.00 C ATOM 1085 OD1 ASP A 86 2.997 -4.261 10.009 1.00 10.00 O ATOM 1086 OD2 ASP A 86 5.172 -4.194 9.750 1.00 10.00 O ATOM 0 H ASP A 86 4.692 -7.028 6.637 1.00 10.00 H new ATOM 0 HA ASP A 86 3.040 -6.689 8.964 1.00 10.00 H new ATOM 0 HB2 ASP A 86 4.875 -5.149 7.487 1.00 10.00 H new ATOM 0 HB3 ASP A 86 3.339 -4.325 7.303 1.00 10.00 H new ATOM 1091 N VAL A 87 0.748 -6.284 8.072 1.00 10.00 N ATOM 1092 CA VAL A 87 -0.610 -6.207 7.553 1.00 10.00 C ATOM 1093 C VAL A 87 -1.134 -4.775 7.535 1.00 10.00 C ATOM 1094 O VAL A 87 -0.978 -4.029 8.503 1.00 10.00 O ATOM 1095 CB VAL A 87 -1.571 -7.088 8.381 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -2.920 -7.215 7.687 1.00 10.00 C ATOM 1097 CG2 VAL A 87 -0.964 -8.461 8.627 1.00 10.00 C ATOM 0 H VAL A 87 0.808 -6.372 9.086 1.00 10.00 H new ATOM 0 HA VAL A 87 -0.572 -6.575 6.528 1.00 10.00 H new ATOM 0 HB VAL A 87 -1.728 -6.605 9.346 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -3.581 -7.840 8.288 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -3.363 -6.226 7.569 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -2.783 -7.670 6.706 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -1.657 -9.066 9.212 1.00 10.00 H new ATOM 0 HG22 VAL A 87 -0.772 -8.950 7.672 1.00 10.00 H new ATOM 0 HG23 VAL A 87 -0.027 -8.352 9.173 1.00 10.00 H new ATOM 1107 N ILE A 88 -1.750 -4.403 6.421 1.00 10.00 N ATOM 1108 CA ILE A 88 -2.328 -3.081 6.255 1.00 10.00 C ATOM 1109 C ILE A 88 -3.734 -3.219 5.673 1.00 10.00 C ATOM 1110 O ILE A 88 -4.007 -4.150 4.910 1.00 10.00 O ATOM 1111 CB ILE A 88 -1.453 -2.181 5.344 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -2.026 -0.761 5.277 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -1.327 -2.776 3.946 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -1.099 0.247 4.630 1.00 10.00 C ATOM 0 H ILE A 88 -1.862 -5.010 5.609 1.00 10.00 H new ATOM 0 HA ILE A 88 -2.376 -2.600 7.232 1.00 10.00 H new ATOM 0 HB ILE A 88 -0.455 -2.130 5.780 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.964 -0.785 4.723 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -2.261 -0.427 6.288 1.00 10.00 H new ATOM 0 HG21 ILE A 88 -0.709 -2.125 3.328 1.00 10.00 H new ATOM 0 HG22 ILE A 88 -0.865 -3.761 4.010 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -2.317 -2.868 3.499 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -1.576 1.227 4.621 1.00 10.00 H new ATOM 0 HD12 ILE A 88 -0.169 0.302 5.196 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -0.883 -0.061 3.607 1.00 10.00 H new ATOM 1126 N GLU A 89 -4.628 -2.316 6.042 1.00 10.00 N ATOM 1127 CA GLU A 89 -5.996 -2.367 5.557 1.00 10.00 C ATOM 1128 C GLU A 89 -6.286 -1.207 4.615 1.00 10.00 C ATOM 1129 O GLU A 89 -5.733 -0.115 4.766 1.00 10.00 O ATOM 1130 CB GLU A 89 -6.973 -2.350 6.732 1.00 10.00 C ATOM 1131 CG GLU A 89 -7.009 -3.656 7.507 1.00 10.00 C ATOM 1132 CD GLU A 89 -7.649 -3.506 8.868 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -8.828 -3.097 8.938 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -6.977 -3.794 9.879 1.00 10.00 O ATOM 0 H GLU A 89 -4.431 -1.541 6.675 1.00 10.00 H new ATOM 0 HA GLU A 89 -6.125 -3.296 5.001 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -6.700 -1.541 7.410 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -7.973 -2.130 6.360 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -7.558 -4.401 6.931 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -5.993 -4.031 7.627 1.00 10.00 H new ATOM 1141 N VAL A 90 -7.155 -1.451 3.649 1.00 10.00 N ATOM 1142 CA VAL A 90 -7.534 -0.435 2.682 1.00 10.00 C ATOM 1143 C VAL A 90 -9.055 -0.299 2.638 1.00 10.00 C ATOM 1144 O VAL A 90 -9.779 -1.291 2.532 1.00 10.00 O ATOM 1145 CB VAL A 90 -6.980 -0.757 1.272 1.00 10.00 C ATOM 1146 CG1 VAL A 90 -7.414 -2.141 0.812 1.00 10.00 C ATOM 1147 CG2 VAL A 90 -7.406 0.302 0.266 1.00 10.00 C ATOM 0 H VAL A 90 -7.615 -2.351 3.513 1.00 10.00 H new ATOM 0 HA VAL A 90 -7.097 0.512 2.999 1.00 10.00 H new ATOM 0 HB VAL A 90 -5.892 -0.750 1.335 1.00 10.00 H new ATOM 0 HG11 VAL A 90 -7.010 -2.338 -0.181 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -7.041 -2.890 1.511 1.00 10.00 H new ATOM 0 HG13 VAL A 90 -8.502 -2.188 0.776 1.00 10.00 H new ATOM 0 HG21 VAL A 90 -7.004 0.053 -0.716 1.00 10.00 H new ATOM 0 HG22 VAL A 90 -8.494 0.338 0.215 1.00 10.00 H new ATOM 0 HG23 VAL A 90 -7.025 1.274 0.578 1.00 10.00 H new ATOM 1157 N TYR A 91 -9.538 0.928 2.749 1.00 10.00 N ATOM 1158 CA TYR A 91 -10.971 1.189 2.731 1.00 10.00 C ATOM 1159 C TYR A 91 -11.299 2.292 1.740 1.00 10.00 C ATOM 1160 O TYR A 91 -10.433 3.091 1.389 1.00 10.00 O ATOM 1161 CB TYR A 91 -11.457 1.575 4.132 1.00 10.00 C ATOM 1162 CG TYR A 91 -11.390 0.436 5.129 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -12.473 -0.412 5.313 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -10.242 0.210 5.879 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -12.412 -1.459 6.211 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -10.176 -0.836 6.781 1.00 10.00 C ATOM 1167 CZ TYR A 91 -11.266 -1.663 6.945 1.00 10.00 C ATOM 1168 OH TYR A 91 -11.205 -2.714 7.832 1.00 10.00 O ATOM 0 H TYR A 91 -8.959 1.761 2.853 1.00 10.00 H new ATOM 0 HA TYR A 91 -11.484 0.279 2.419 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -10.856 2.406 4.501 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -12.485 1.930 4.066 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -13.377 -0.251 4.745 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -9.389 0.861 5.756 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -13.260 -2.115 6.337 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -9.276 -1.004 7.353 1.00 10.00 H new ATOM 0 HH TYR A 91 -10.292 -2.796 8.180 1.00 10.00 H new ATOM 1178 N GLN A 92 -12.541 2.331 1.283 1.00 10.00 N ATOM 1179 CA GLN A 92 -12.963 3.344 0.329 1.00 10.00 C ATOM 1180 C GLN A 92 -13.262 4.653 1.046 1.00 10.00 C ATOM 1181 O GLN A 92 -13.885 4.659 2.110 1.00 10.00 O ATOM 1182 CB GLN A 92 -14.200 2.872 -0.444 1.00 10.00 C ATOM 1183 CG GLN A 92 -14.687 3.869 -1.487 1.00 10.00 C ATOM 1184 CD GLN A 92 -15.988 3.449 -2.144 1.00 10.00 C ATOM 1185 OE1 GLN A 92 -15.991 2.787 -3.183 1.00 10.00 O ATOM 1186 NE2 GLN A 92 -17.106 3.833 -1.543 1.00 10.00 N ATOM 0 H GLN A 92 -13.272 1.675 1.557 1.00 10.00 H new ATOM 0 HA GLN A 92 -12.152 3.509 -0.380 1.00 10.00 H new ATOM 0 HB2 GLN A 92 -13.971 1.927 -0.937 1.00 10.00 H new ATOM 0 HB3 GLN A 92 -15.006 2.676 0.263 1.00 10.00 H new ATOM 0 HG2 GLN A 92 -14.822 4.843 -1.016 1.00 10.00 H new ATOM 0 HG3 GLN A 92 -13.921 3.989 -2.253 1.00 10.00 H new ATOM 0 HE21 GLN A 92 -17.061 4.381 -0.684 1.00 10.00 H new ATOM 0 HE22 GLN A 92 -18.011 3.581 -1.940 1.00 10.00 H new ATOM 1195 N GLU A 93 -12.805 5.753 0.466 1.00 10.00 N ATOM 1196 CA GLU A 93 -13.030 7.071 1.035 1.00 10.00 C ATOM 1197 C GLU A 93 -14.453 7.532 0.750 1.00 10.00 C ATOM 1198 O GLU A 93 -15.112 7.012 -0.154 1.00 10.00 O ATOM 1199 CB GLU A 93 -12.024 8.070 0.464 1.00 10.00 C ATOM 1200 CG GLU A 93 -10.692 8.073 1.195 1.00 10.00 C ATOM 1201 CD GLU A 93 -10.766 8.782 2.532 1.00 10.00 C ATOM 1202 OE1 GLU A 93 -11.455 8.280 3.442 1.00 10.00 O ATOM 1203 OE2 GLU A 93 -10.143 9.851 2.674 1.00 10.00 O ATOM 0 H GLU A 93 -12.273 5.757 -0.404 1.00 10.00 H new ATOM 0 HA GLU A 93 -12.892 7.015 2.115 1.00 10.00 H new ATOM 0 HB2 GLU A 93 -11.852 7.840 -0.587 1.00 10.00 H new ATOM 0 HB3 GLU A 93 -12.454 9.071 0.505 1.00 10.00 H new ATOM 0 HG2 GLU A 93 -10.364 7.045 1.350 1.00 10.00 H new ATOM 0 HG3 GLU A 93 -9.940 8.557 0.572 1.00 10.00 H new ATOM 1210 N GLN A 94 -14.925 8.504 1.520 1.00 10.00 N ATOM 1211 CA GLN A 94 -16.275 9.025 1.351 1.00 10.00 C ATOM 1212 C GLN A 94 -16.408 9.725 0.004 1.00 10.00 C ATOM 1213 O GLN A 94 -17.470 9.697 -0.621 1.00 10.00 O ATOM 1214 CB GLN A 94 -16.615 9.995 2.484 1.00 10.00 C ATOM 1215 CG GLN A 94 -18.100 10.292 2.609 1.00 10.00 C ATOM 1216 CD GLN A 94 -18.404 11.294 3.706 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -17.603 12.186 3.991 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -19.559 11.154 4.333 1.00 10.00 N ATOM 0 H GLN A 94 -14.392 8.948 2.268 1.00 10.00 H new ATOM 0 HA GLN A 94 -16.975 8.190 1.382 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -16.256 9.580 3.426 1.00 10.00 H new ATOM 0 HB3 GLN A 94 -16.079 10.930 2.323 1.00 10.00 H new ATOM 0 HG2 GLN A 94 -18.471 10.676 1.659 1.00 10.00 H new ATOM 0 HG3 GLN A 94 -18.637 9.365 2.810 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -20.195 10.402 4.068 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -19.814 11.798 5.082 1.00 10.00 H new ATOM 1227 N THR A 95 -15.319 10.340 -0.437 1.00 10.00 N ATOM 1228 CA THR A 95 -15.293 11.043 -1.707 1.00 10.00 C ATOM 1229 C THR A 95 -15.498 10.070 -2.863 1.00 10.00 C ATOM 1230 O THR A 95 -16.435 10.207 -3.650 1.00 10.00 O ATOM 1231 CB THR A 95 -13.955 11.781 -1.889 1.00 10.00 C ATOM 1232 OG1 THR A 95 -12.870 10.929 -1.490 1.00 10.00 O ATOM 1233 CG2 THR A 95 -13.933 13.056 -1.061 1.00 10.00 C ATOM 0 H THR A 95 -14.436 10.364 0.073 1.00 10.00 H new ATOM 0 HA THR A 95 -16.105 11.770 -1.705 1.00 10.00 H new ATOM 0 HB THR A 95 -13.844 12.043 -2.941 1.00 10.00 H new ATOM 0 HG1 THR A 95 -12.021 11.403 -1.610 1.00 10.00 H new ATOM 0 HG21 THR A 95 -12.979 13.565 -1.202 1.00 10.00 H new ATOM 0 HG22 THR A 95 -14.744 13.711 -1.379 1.00 10.00 H new ATOM 0 HG23 THR A 95 -14.060 12.808 -0.007 1.00 10.00 H new ATOM 1241 N GLY A 96 -14.617 9.082 -2.953 1.00 10.00 N ATOM 1242 CA GLY A 96 -14.719 8.090 -4.003 1.00 10.00 C ATOM 1243 C GLY A 96 -14.064 8.538 -5.290 1.00 10.00 C ATOM 1244 O GLY A 96 -14.212 7.892 -6.328 1.00 10.00 O ATOM 0 H GLY A 96 -13.832 8.951 -2.315 1.00 10.00 H new ATOM 0 HA2 GLY A 96 -14.256 7.162 -3.668 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -15.770 7.872 -4.191 1.00 10.00 H new ATOM 1248 N GLY A 97 -13.331 9.639 -5.226 1.00 10.00 N ATOM 1249 CA GLY A 97 -12.665 10.152 -6.406 1.00 10.00 C ATOM 1250 C GLY A 97 -11.223 10.522 -6.135 1.00 10.00 C ATOM 1251 O GLY A 97 -10.778 10.483 -4.985 1.00 10.00 O ATOM 0 H GLY A 97 -13.185 10.187 -4.378 1.00 10.00 H new ATOM 0 HA2 GLY A 97 -12.703 9.403 -7.197 1.00 10.00 H new ATOM 0 HA3 GLY A 97 -13.201 11.028 -6.771 1.00 10.00 H new TER 1255 GLY A 97 ATOM 1256 N ASP B 195 -7.492 -20.504 -4.589 1.00 10.00 N ATOM 1257 CA ASP B 195 -7.718 -19.344 -3.738 1.00 10.00 C ATOM 1258 C ASP B 195 -7.257 -18.085 -4.450 1.00 10.00 C ATOM 1259 O ASP B 195 -6.952 -18.127 -5.646 1.00 10.00 O ATOM 1260 CB ASP B 195 -6.968 -19.498 -2.422 1.00 10.00 C ATOM 1261 CG ASP B 195 -7.747 -18.929 -1.258 1.00 10.00 C ATOM 1262 OD1 ASP B 195 -8.401 -19.713 -0.543 1.00 10.00 O ATOM 1263 OD2 ASP B 195 -7.711 -17.697 -1.050 1.00 10.00 O ATOM 0 HA ASP B 195 -8.784 -19.267 -3.526 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -6.765 -20.554 -2.241 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -6.003 -18.996 -2.493 1.00 10.00 H new ATOM 1268 N THR B 196 -7.181 -16.965 -3.738 1.00 10.00 N ATOM 1269 CA THR B 196 -6.738 -15.742 -4.372 1.00 10.00 C ATOM 1270 C THR B 196 -5.485 -15.169 -3.719 1.00 10.00 C ATOM 1271 O THR B 196 -5.477 -14.822 -2.537 1.00 10.00 O ATOM 1272 CB THR B 196 -7.852 -14.680 -4.332 1.00 10.00 C ATOM 1273 OG1 THR B 196 -9.119 -15.293 -4.621 1.00 10.00 O ATOM 1274 CG2 THR B 196 -7.579 -13.569 -5.336 1.00 10.00 C ATOM 0 H THR B 196 -7.415 -16.884 -2.748 1.00 10.00 H new ATOM 0 HA THR B 196 -6.498 -15.997 -5.404 1.00 10.00 H new ATOM 0 HB THR B 196 -7.876 -14.245 -3.333 1.00 10.00 H new ATOM 0 HG1 THR B 196 -9.825 -14.614 -4.593 1.00 10.00 H new ATOM 0 HG21 THR B 196 -8.380 -12.831 -5.289 1.00 10.00 H new ATOM 0 HG22 THR B 196 -6.629 -13.090 -5.099 1.00 10.00 H new ATOM 0 HG23 THR B 196 -7.532 -13.990 -6.340 1.00 10.00 H new ATOM 1282 N ALA B 197 -4.431 -15.080 -4.516 1.00 10.00 N ATOM 1283 CA ALA B 197 -3.174 -14.498 -4.093 1.00 10.00 C ATOM 1284 C ALA B 197 -2.747 -13.462 -5.115 1.00 10.00 C ATOM 1285 O ALA B 197 -2.677 -13.769 -6.308 1.00 10.00 O ATOM 1286 CB ALA B 197 -2.102 -15.567 -3.930 1.00 10.00 C ATOM 0 H ALA B 197 -4.428 -15.413 -5.480 1.00 10.00 H new ATOM 0 HA ALA B 197 -3.307 -14.022 -3.121 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -1.169 -15.101 -3.612 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -2.421 -16.291 -3.180 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -1.948 -16.075 -4.882 1.00 10.00 H new ATOM 1292 N GLY B 198 -2.477 -12.255 -4.674 1.00 10.00 N ATOM 1293 CA GLY B 198 -2.044 -11.231 -5.596 1.00 10.00 C ATOM 1294 C GLY B 198 -0.720 -10.645 -5.185 1.00 10.00 C ATOM 1295 O GLY B 198 -0.574 -10.212 -4.050 1.00 10.00 O ATOM 0 H GLY B 198 -2.548 -11.961 -3.700 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -1.962 -11.653 -6.598 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -2.794 -10.441 -5.643 1.00 10.00 H new ATOM 1299 N CYS B 199 0.245 -10.631 -6.082 1.00 10.00 N ATOM 1300 CA CYS B 199 1.544 -10.059 -5.767 1.00 10.00 C ATOM 1301 C CYS B 199 1.861 -8.941 -6.753 1.00 10.00 C ATOM 1302 O CYS B 199 1.833 -9.140 -7.967 1.00 10.00 O ATOM 1303 CB CYS B 199 2.629 -11.140 -5.788 1.00 10.00 C ATOM 1304 SG CYS B 199 2.274 -12.557 -4.716 1.00 10.00 S ATOM 0 H CYS B 199 0.159 -11.005 -7.027 1.00 10.00 H new ATOM 0 HA CYS B 199 1.518 -9.640 -4.761 1.00 10.00 H new ATOM 0 HB2 CYS B 199 2.756 -11.494 -6.811 1.00 10.00 H new ATOM 0 HB3 CYS B 199 3.577 -10.696 -5.484 1.00 10.00 H new ATOM 0 HG CYS B 199 1.724 -12.140 -3.614 1.00 10.00 H new ATOM 1310 N ILE B 200 2.160 -7.766 -6.228 1.00 10.00 N ATOM 1311 CA ILE B 200 2.463 -6.616 -7.067 1.00 10.00 C ATOM 1312 C ILE B 200 3.831 -6.025 -6.741 1.00 10.00 C ATOM 1313 O ILE B 200 4.138 -5.760 -5.575 1.00 10.00 O ATOM 1314 CB ILE B 200 1.364 -5.538 -6.928 1.00 10.00 C ATOM 1315 CG1 ILE B 200 1.827 -4.193 -7.501 1.00 10.00 C ATOM 1316 CG2 ILE B 200 0.935 -5.386 -5.472 1.00 10.00 C ATOM 1317 CD1 ILE B 200 0.825 -3.076 -7.291 1.00 10.00 C ATOM 0 H ILE B 200 2.200 -7.581 -5.226 1.00 10.00 H new ATOM 0 HA ILE B 200 2.489 -6.962 -8.100 1.00 10.00 H new ATOM 0 HB ILE B 200 0.501 -5.867 -7.507 1.00 10.00 H new ATOM 0 HG12 ILE B 200 2.773 -3.915 -7.037 1.00 10.00 H new ATOM 0 HG13 ILE B 200 2.016 -4.306 -8.568 1.00 10.00 H new ATOM 0 HG21 ILE B 200 0.161 -4.622 -5.399 1.00 10.00 H new ATOM 0 HG22 ILE B 200 0.543 -6.336 -5.107 1.00 10.00 H new ATOM 0 HG23 ILE B 200 1.794 -5.092 -4.869 1.00 10.00 H new ATOM 0 HD11 ILE B 200 1.214 -2.153 -7.720 1.00 10.00 H new ATOM 0 HD12 ILE B 200 -0.115 -3.334 -7.778 1.00 10.00 H new ATOM 0 HD13 ILE B 200 0.654 -2.937 -6.224 1.00 10.00 H new ATOM 1329 N VAL B 201 4.660 -5.829 -7.760 1.00 10.00 N ATOM 1330 CA VAL B 201 5.973 -5.245 -7.544 1.00 10.00 C ATOM 1331 C VAL B 201 6.151 -3.966 -8.372 1.00 10.00 C ATOM 1332 O VAL B 201 5.974 -3.956 -9.592 1.00 10.00 O ATOM 1333 CB VAL B 201 7.116 -6.242 -7.858 1.00 10.00 C ATOM 1334 CG1 VAL B 201 6.995 -6.799 -9.272 1.00 10.00 C ATOM 1335 CG2 VAL B 201 8.471 -5.575 -7.651 1.00 10.00 C ATOM 0 H VAL B 201 4.448 -6.063 -8.730 1.00 10.00 H new ATOM 0 HA VAL B 201 6.032 -4.993 -6.485 1.00 10.00 H new ATOM 0 HB VAL B 201 7.032 -7.081 -7.168 1.00 10.00 H new ATOM 0 HG11 VAL B 201 7.812 -7.495 -9.460 1.00 10.00 H new ATOM 0 HG12 VAL B 201 6.043 -7.320 -9.378 1.00 10.00 H new ATOM 0 HG13 VAL B 201 7.043 -5.981 -9.991 1.00 10.00 H new ATOM 0 HG21 VAL B 201 9.265 -6.287 -7.875 1.00 10.00 H new ATOM 0 HG22 VAL B 201 8.558 -4.714 -8.314 1.00 10.00 H new ATOM 0 HG23 VAL B 201 8.560 -5.246 -6.616 1.00 10.00 H new ATOM 1345 N ILE B 202 6.485 -2.890 -7.683 1.00 10.00 N ATOM 1346 CA ILE B 202 6.726 -1.594 -8.297 1.00 10.00 C ATOM 1347 C ILE B 202 8.111 -1.084 -7.904 1.00 10.00 C ATOM 1348 O ILE B 202 8.514 -1.213 -6.744 1.00 10.00 O ATOM 1349 CB ILE B 202 5.632 -0.546 -7.944 1.00 10.00 C ATOM 1350 CG1 ILE B 202 6.205 0.879 -8.017 1.00 10.00 C ATOM 1351 CG2 ILE B 202 5.033 -0.822 -6.573 1.00 10.00 C ATOM 1352 CD1 ILE B 202 5.191 1.971 -7.801 1.00 10.00 C ATOM 0 H ILE B 202 6.598 -2.890 -6.669 1.00 10.00 H new ATOM 0 HA ILE B 202 6.681 -1.733 -9.377 1.00 10.00 H new ATOM 0 HB ILE B 202 4.832 -0.630 -8.679 1.00 10.00 H new ATOM 0 HG12 ILE B 202 6.993 0.979 -7.270 1.00 10.00 H new ATOM 0 HG13 ILE B 202 6.671 1.020 -8.992 1.00 10.00 H new ATOM 0 HG21 ILE B 202 4.271 -0.075 -6.352 1.00 10.00 H new ATOM 0 HG22 ILE B 202 4.581 -1.814 -6.566 1.00 10.00 H new ATOM 0 HG23 ILE B 202 5.817 -0.776 -5.817 1.00 10.00 H new ATOM 0 HD11 ILE B 202 5.682 2.942 -7.869 1.00 10.00 H new ATOM 0 HD12 ILE B 202 4.414 1.902 -8.563 1.00 10.00 H new ATOM 0 HD13 ILE B 202 4.742 1.860 -6.814 1.00 10.00 H new HETATM 1364 N SEP B 203 8.850 -0.527 -8.849 1.00 10.00 N HETATM 1365 CA SEP B 203 10.164 -0.023 -8.534 1.00 10.00 C HETATM 1366 CB SEP B 203 11.163 -0.661 -9.488 1.00 10.00 C HETATM 1367 OG SEP B 203 12.489 -0.526 -9.019 1.00 10.00 O HETATM 1368 C SEP B 203 10.180 1.485 -8.678 1.00 10.00 C HETATM 1369 O SEP B 203 9.953 2.038 -9.757 1.00 10.00 O HETATM 1370 P SEP B 203 13.531 -1.713 -9.227 1.00 10.00 P HETATM 1371 O1P SEP B 203 14.897 -1.378 -8.794 1.00 10.00 O HETATM 1372 O2P SEP B 203 13.474 -2.357 -10.551 1.00 10.00 O HETATM 1373 O3P SEP B 203 13.061 -2.855 -8.216 1.00 10.00 O HETATM 0 HB3 SEP B 203 10.926 -1.718 -9.611 1.00 10.00 H new HETATM 0 HB2 SEP B 203 11.075 -0.198 -10.471 1.00 10.00 H new HETATM 0 HA SEP B 203 10.431 -0.271 -7.507 1.00 10.00 H new ATOM 1378 N ASP B 204 10.449 2.118 -7.551 1.00 10.00 N ATOM 1379 CA ASP B 204 10.483 3.567 -7.432 1.00 10.00 C ATOM 1380 C ASP B 204 11.724 4.054 -6.695 1.00 10.00 C ATOM 1381 O ASP B 204 12.081 3.507 -5.668 1.00 10.00 O ATOM 1382 CB ASP B 204 9.230 4.059 -6.741 1.00 10.00 C ATOM 1383 CG ASP B 204 9.216 5.560 -6.622 1.00 10.00 C ATOM 1384 OD1 ASP B 204 9.293 6.241 -7.665 1.00 10.00 O ATOM 1385 OD2 ASP B 204 9.129 6.068 -5.494 1.00 10.00 O ATOM 0 H ASP B 204 10.654 1.633 -6.677 1.00 10.00 H new ATOM 0 HA ASP B 204 10.526 3.980 -8.440 1.00 10.00 H new ATOM 0 HB2 ASP B 204 8.353 3.729 -7.298 1.00 10.00 H new ATOM 0 HB3 ASP B 204 9.163 3.614 -5.748 1.00 10.00 H new HETATM 1390 N SEP B 205 12.395 5.039 -7.236 1.00 10.00 N HETATM 1391 CA SEP B 205 13.591 5.589 -6.610 1.00 10.00 C HETATM 1392 CB SEP B 205 14.811 5.231 -7.385 1.00 10.00 C HETATM 1393 OG SEP B 205 15.968 5.439 -6.595 1.00 10.00 O HETATM 1394 C SEP B 205 13.557 7.105 -6.485 1.00 10.00 C HETATM 1395 O SEP B 205 13.125 7.792 -7.407 1.00 10.00 O HETATM 1396 P SEP B 205 17.178 4.419 -6.685 1.00 10.00 P HETATM 1397 O1P SEP B 205 17.783 4.688 -8.137 1.00 10.00 O HETATM 1398 O2P SEP B 205 16.783 3.000 -6.693 1.00 10.00 O HETATM 1399 O3P SEP B 205 18.287 4.726 -5.765 1.00 10.00 O HETATM 0 HB3 SEP B 205 14.759 4.189 -7.700 1.00 10.00 H new HETATM 0 HB2 SEP B 205 14.866 5.835 -8.291 1.00 10.00 H new HETATM 0 HA SEP B 205 13.618 5.153 -5.611 1.00 10.00 H new ATOM 1404 N GLU B 206 13.990 7.627 -5.350 1.00 10.00 N ATOM 1405 CA GLU B 206 14.073 9.079 -5.167 1.00 10.00 C ATOM 1406 C GLU B 206 15.024 9.686 -6.208 1.00 10.00 C ATOM 1407 O GLU B 206 16.003 9.040 -6.610 1.00 10.00 O ATOM 1408 CB GLU B 206 14.568 9.416 -3.750 1.00 10.00 C ATOM 1409 CG GLU B 206 14.953 10.878 -3.557 1.00 10.00 C ATOM 1410 CD GLU B 206 13.801 11.824 -3.821 1.00 10.00 C ATOM 1411 OE1 GLU B 206 13.680 12.316 -4.958 1.00 10.00 O ATOM 1412 OE2 GLU B 206 13.006 12.073 -2.894 1.00 10.00 O ATOM 0 H GLU B 206 14.289 7.079 -4.544 1.00 10.00 H new ATOM 0 HA GLU B 206 13.077 9.502 -5.300 1.00 10.00 H new ATOM 0 HB2 GLU B 206 13.788 9.159 -3.033 1.00 10.00 H new ATOM 0 HB3 GLU B 206 15.431 8.791 -3.520 1.00 10.00 H new ATOM 0 HG2 GLU B 206 15.312 11.024 -2.538 1.00 10.00 H new ATOM 0 HG3 GLU B 206 15.780 11.123 -4.224 1.00 10.00 H new TER 1419 GLU B 206