USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 733 hydrogens (16 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 216 TYS HN2 : B 216 TYS N : B 215 SER C :(H bumps) USER MOD NoAdj-H: B 217 TYS HN2 : B 217 TYS N : B 216 TYS C :(H bumps) USER MOD NoAdj-H: B 217 TYS H : B 217 TYS N : B 216 TYS C :(H bumps) USER MOD Set 1.1: A 64 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 15 ASN : amide:sc= -4.15! C(o=-4.2!,f=-6!) USER MOD Set 2.2: B 216 TYS O3 : rot -3:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.107 (180deg=0) USER MOD Single : A 4 SER OG : rot -139:sc= 0.554! USER MOD Single : A 7 THR OG1 : rot -33:sc= 0.471 USER MOD Single : A 8 THR OG1 : rot -37:sc=-0.00948 USER MOD Single : A 12 ASN : amide:sc= -5.8! C(o=-5.8!,f=-1.4!) USER MOD Single : A 17 LYS NZ :NH3+ 150:sc= -0.564 (180deg=-1.29) USER MOD Single : A 21 GLN : amide:sc= -4.44! C(o=-4.4!,f=-3.4!) USER MOD Single : A 25 SER OG : rot -130:sc= -0.404 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -17:sc= 0.272 USER MOD Single : A 31 SER OG : rot -149:sc= -0.346 USER MOD Single : A 33 LYS NZ :NH3+ 160:sc= -0.0833 (180deg=-0.592) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 37 LYS NZ :NH3+ -109:sc= -4.67! (180deg=-6.88!) USER MOD Single : A 42 LYS NZ :NH3+ 155:sc= -1.46! (180deg=-2.11) USER MOD Single : A 43 THR OG1 : rot -124:sc= -2.75! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -161:sc= -0.979 (180deg=-1.55) USER MOD Single : A 54 LYS NZ :NH3+ 140:sc= -1.72! (180deg=-5.12!) USER MOD Single : A 55 LYS NZ :NH3+ 147:sc= -0.373 (180deg=-1.5!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 61 SER OG : rot 71:sc= 0.834 USER MOD Single : A 62 MET CE :methyl -179:sc= -0.428 (180deg=-0.428) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -1.02 K(o=-1,f=-0.23) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.08) USER MOD Single : B 210 THR OG1 : rot 180:sc= 0 USER MOD Single : B 213 THR OG1 : rot 180:sc= 0.635 USER MOD Single : B 214 THR OG1 : rot 180:sc= 0.0745! USER MOD Single : B 215 SER OG : rot 180:sc= 0 USER MOD Single : B 217 TYS O3 : rot -118:sc= 1.86 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.535 -16.788 -7.591 1.00 0.00 N ATOM 2 CA GLY A 1 -0.403 -16.646 -8.740 1.00 0.00 C ATOM 3 C GLY A 1 -0.079 -15.368 -9.507 1.00 0.00 C ATOM 4 O GLY A 1 0.717 -14.545 -9.055 1.00 0.00 O ATOM 0 H1 GLY A 1 1.166 -17.598 -7.756 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.102 -15.921 -7.497 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.007 -16.944 -6.717 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.320 -17.510 -9.400 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.432 -16.617 -8.382 1.00 0.00 H new ATOM 10 N PRO A 2 -0.681 -15.190 -10.655 1.00 0.00 N ATOM 11 CA PRO A 2 -0.456 -13.987 -11.507 1.00 0.00 C ATOM 12 C PRO A 2 -1.153 -12.748 -10.941 1.00 0.00 C ATOM 13 O PRO A 2 -2.028 -12.856 -10.083 1.00 0.00 O ATOM 14 CB PRO A 2 -1.052 -14.397 -12.860 1.00 0.00 C ATOM 15 CG PRO A 2 -2.129 -15.377 -12.518 1.00 0.00 C ATOM 16 CD PRO A 2 -1.645 -16.122 -11.267 1.00 0.00 C ATOM 0 HA PRO A 2 0.596 -13.708 -11.570 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.455 -13.536 -13.393 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -0.297 -14.847 -13.505 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -3.073 -14.867 -12.327 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -2.302 -16.070 -13.342 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -2.470 -16.346 -10.590 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -1.176 -17.072 -11.523 1.00 0.00 H new ATOM 24 N ALA A 3 -0.758 -11.577 -11.431 1.00 0.00 N ATOM 25 CA ALA A 3 -1.351 -10.329 -10.967 1.00 0.00 C ATOM 26 C ALA A 3 -1.117 -10.147 -9.471 1.00 0.00 C ATOM 27 O ALA A 3 -1.808 -10.747 -8.648 1.00 0.00 O ATOM 28 CB ALA A 3 -2.854 -10.325 -11.255 1.00 0.00 C ATOM 0 H ALA A 3 -0.036 -11.467 -12.143 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.877 -9.504 -11.500 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -3.289 -9.389 -10.905 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.019 -10.423 -12.328 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -3.326 -11.160 -10.737 1.00 0.00 H new ATOM 34 N SER A 4 -0.139 -9.316 -9.127 1.00 0.00 N ATOM 35 CA SER A 4 0.177 -9.063 -7.725 1.00 0.00 C ATOM 36 C SER A 4 0.275 -10.375 -6.953 1.00 0.00 C ATOM 37 O SER A 4 0.638 -11.409 -7.512 1.00 0.00 O ATOM 38 CB SER A 4 -0.901 -8.179 -7.098 1.00 0.00 C ATOM 39 OG SER A 4 -0.531 -7.864 -5.762 1.00 0.00 O ATOM 0 H SER A 4 0.445 -8.810 -9.793 1.00 0.00 H new ATOM 0 HA SER A 4 1.139 -8.553 -7.675 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.022 -7.265 -7.679 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.862 -8.693 -7.110 1.00 0.00 H new ATOM 0 HG SER A 4 -1.321 -7.911 -5.184 1.00 0.00 H new ATOM 45 N VAL A 5 -0.051 -10.324 -5.663 1.00 0.00 N ATOM 46 CA VAL A 5 0.001 -11.513 -4.815 1.00 0.00 C ATOM 47 C VAL A 5 -1.025 -11.409 -3.689 1.00 0.00 C ATOM 48 O VAL A 5 -0.665 -11.310 -2.516 1.00 0.00 O ATOM 49 CB VAL A 5 1.404 -11.670 -4.218 1.00 0.00 C ATOM 50 CG1 VAL A 5 2.375 -12.163 -5.295 1.00 0.00 C ATOM 51 CG2 VAL A 5 1.882 -10.318 -3.685 1.00 0.00 C ATOM 0 H VAL A 5 -0.353 -9.476 -5.184 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.231 -12.385 -5.427 1.00 0.00 H new ATOM 0 HB VAL A 5 1.370 -12.395 -3.405 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.370 -12.273 -4.865 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.037 -13.126 -5.677 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.410 -11.441 -6.111 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.880 -10.427 -3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.912 -9.595 -4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.195 -9.967 -2.914 1.00 0.00 H new ATOM 61 N PRO A 6 -2.288 -11.430 -4.025 1.00 0.00 N ATOM 62 CA PRO A 6 -3.392 -11.336 -3.027 1.00 0.00 C ATOM 63 C PRO A 6 -3.159 -12.249 -1.822 1.00 0.00 C ATOM 64 O PRO A 6 -2.866 -13.434 -1.976 1.00 0.00 O ATOM 65 CB PRO A 6 -4.628 -11.768 -3.825 1.00 0.00 C ATOM 66 CG PRO A 6 -4.320 -11.386 -5.238 1.00 0.00 C ATOM 67 CD PRO A 6 -2.804 -11.548 -5.402 1.00 0.00 C ATOM 0 HA PRO A 6 -3.484 -10.337 -2.601 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -4.804 -12.840 -3.734 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -5.527 -11.266 -3.466 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -4.858 -12.023 -5.940 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -4.626 -10.360 -5.440 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -2.550 -12.512 -5.844 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -2.387 -10.779 -6.053 1.00 0.00 H new ATOM 75 N THR A 7 -3.291 -11.685 -0.625 1.00 0.00 N ATOM 76 CA THR A 7 -3.092 -12.456 0.597 1.00 0.00 C ATOM 77 C THR A 7 -3.653 -11.706 1.801 1.00 0.00 C ATOM 78 O THR A 7 -4.622 -12.144 2.420 1.00 0.00 O ATOM 79 CB THR A 7 -1.600 -12.723 0.810 1.00 0.00 C ATOM 80 OG1 THR A 7 -1.061 -13.337 -0.353 1.00 0.00 O ATOM 81 CG2 THR A 7 -1.412 -13.648 2.013 1.00 0.00 C ATOM 0 H THR A 7 -3.533 -10.705 -0.476 1.00 0.00 H new ATOM 0 HA THR A 7 -3.620 -13.404 0.495 1.00 0.00 H new ATOM 0 HB THR A 7 -1.084 -11.781 0.996 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.744 -13.903 -0.770 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.349 -13.837 2.164 1.00 0.00 H new ATOM 0 HG22 THR A 7 -1.826 -13.175 2.904 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.926 -14.591 1.830 1.00 0.00 H new ATOM 89 N THR A 8 -3.037 -10.574 2.126 1.00 0.00 N ATOM 90 CA THR A 8 -3.485 -9.771 3.259 1.00 0.00 C ATOM 91 C THR A 8 -2.839 -8.389 3.223 1.00 0.00 C ATOM 92 O THR A 8 -1.915 -8.106 3.986 1.00 0.00 O ATOM 93 CB THR A 8 -3.125 -10.472 4.570 1.00 0.00 C ATOM 94 OG1 THR A 8 -3.589 -11.815 4.531 1.00 0.00 O ATOM 95 CG2 THR A 8 -3.782 -9.738 5.740 1.00 0.00 C ATOM 0 H THR A 8 -2.233 -10.194 1.626 1.00 0.00 H new ATOM 0 HA THR A 8 -4.567 -9.656 3.195 1.00 0.00 H new ATOM 0 HB THR A 8 -2.043 -10.465 4.700 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.453 -11.849 4.069 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.525 -10.238 6.674 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.426 -8.708 5.770 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.864 -9.744 5.611 1.00 0.00 H new ATOM 103 N CYS A 9 -3.331 -7.534 2.334 1.00 0.00 N ATOM 104 CA CYS A 9 -2.794 -6.183 2.208 1.00 0.00 C ATOM 105 C CYS A 9 -2.973 -5.412 3.512 1.00 0.00 C ATOM 106 O CYS A 9 -3.684 -5.856 4.415 1.00 0.00 O ATOM 107 CB CYS A 9 -3.504 -5.443 1.074 1.00 0.00 C ATOM 108 SG CYS A 9 -5.273 -5.329 1.439 1.00 0.00 S ATOM 0 H CYS A 9 -4.095 -7.749 1.694 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.730 -6.254 1.984 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -3.081 -4.445 0.956 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.350 -5.968 0.131 1.00 0.00 H new ATOM 113 N CYS A 10 -2.326 -4.254 3.603 1.00 0.00 N ATOM 114 CA CYS A 10 -2.421 -3.428 4.801 1.00 0.00 C ATOM 115 C CYS A 10 -3.880 -3.303 5.245 1.00 0.00 C ATOM 116 O CYS A 10 -4.800 -3.499 4.451 1.00 0.00 O ATOM 117 CB CYS A 10 -1.817 -2.034 4.527 1.00 0.00 C ATOM 118 SG CYS A 10 -1.901 -1.675 2.753 1.00 0.00 S ATOM 0 H CYS A 10 -1.734 -3.869 2.867 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.857 -3.902 5.605 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.360 -1.274 5.088 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.782 -2.002 4.866 1.00 0.00 H new ATOM 123 N PHE A 11 -4.078 -2.977 6.519 1.00 0.00 N ATOM 124 CA PHE A 11 -5.423 -2.830 7.062 1.00 0.00 C ATOM 125 C PHE A 11 -6.231 -1.835 6.236 1.00 0.00 C ATOM 126 O PHE A 11 -5.848 -1.484 5.120 1.00 0.00 O ATOM 127 CB PHE A 11 -5.350 -2.350 8.514 1.00 0.00 C ATOM 128 CG PHE A 11 -4.656 -3.394 9.355 1.00 0.00 C ATOM 129 CD1 PHE A 11 -5.400 -4.411 9.963 1.00 0.00 C ATOM 130 CD2 PHE A 11 -3.267 -3.344 9.528 1.00 0.00 C ATOM 131 CE1 PHE A 11 -4.757 -5.379 10.744 1.00 0.00 C ATOM 132 CE2 PHE A 11 -2.624 -4.312 10.308 1.00 0.00 C ATOM 133 CZ PHE A 11 -3.369 -5.330 10.915 1.00 0.00 C ATOM 0 H PHE A 11 -3.329 -2.811 7.191 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.917 -3.801 7.024 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.809 -1.405 8.569 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.353 -2.166 8.898 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.471 -4.449 9.830 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.692 -2.559 9.060 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.332 -6.163 11.214 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.553 -4.274 10.442 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.872 -6.078 11.515 1.00 0.00 H new ATOM 143 N ASN A 12 -7.353 -1.387 6.791 1.00 0.00 N ATOM 144 CA ASN A 12 -8.207 -0.434 6.094 1.00 0.00 C ATOM 145 C ASN A 12 -7.504 0.913 5.947 1.00 0.00 C ATOM 146 O ASN A 12 -7.392 1.674 6.907 1.00 0.00 O ATOM 147 CB ASN A 12 -9.522 -0.253 6.859 1.00 0.00 C ATOM 148 CG ASN A 12 -9.243 -0.132 8.353 1.00 0.00 C ATOM 149 OD1 ASN A 12 -10.167 -0.183 9.164 1.00 0.00 O ATOM 150 ND2 ASN A 12 -8.015 0.027 8.768 1.00 0.00 N ATOM 0 H ASN A 12 -7.689 -1.666 7.713 1.00 0.00 H new ATOM 0 HA ASN A 12 -8.420 -0.825 5.099 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -10.039 0.638 6.504 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -10.181 -1.100 6.671 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -7.821 0.109 9.766 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -7.250 0.069 8.094 1.00 0.00 H new ATOM 157 N LEU A 13 -7.041 1.196 4.737 1.00 0.00 N ATOM 158 CA LEU A 13 -6.355 2.452 4.457 1.00 0.00 C ATOM 159 C LEU A 13 -5.290 2.739 5.516 1.00 0.00 C ATOM 160 O LEU A 13 -5.092 1.955 6.445 1.00 0.00 O ATOM 161 CB LEU A 13 -7.367 3.607 4.413 1.00 0.00 C ATOM 162 CG LEU A 13 -8.693 3.114 3.827 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.656 4.294 3.682 1.00 0.00 C ATOM 164 CD2 LEU A 13 -8.446 2.487 2.450 1.00 0.00 C ATOM 0 H LEU A 13 -7.127 0.574 3.933 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.865 2.363 3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.527 4.001 5.417 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.974 4.424 3.809 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.127 2.368 4.493 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.600 3.944 3.265 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.835 4.740 4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.220 5.040 3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.391 2.137 2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.011 3.232 1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.760 1.646 2.551 1.00 0.00 H new ATOM 176 N ALA A 14 -4.612 3.877 5.369 1.00 0.00 N ATOM 177 CA ALA A 14 -3.570 4.282 6.315 1.00 0.00 C ATOM 178 C ALA A 14 -4.123 5.311 7.292 1.00 0.00 C ATOM 179 O ALA A 14 -5.090 5.043 7.996 1.00 0.00 O ATOM 180 CB ALA A 14 -2.388 4.884 5.561 1.00 0.00 C ATOM 0 H ALA A 14 -4.765 4.535 4.605 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.238 3.403 6.867 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.617 5.183 6.271 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.980 4.143 4.873 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.721 5.756 4.999 1.00 0.00 H new ATOM 186 N ASN A 15 -3.510 6.495 7.332 1.00 0.00 N ATOM 187 CA ASN A 15 -3.972 7.545 8.231 1.00 0.00 C ATOM 188 C ASN A 15 -3.527 8.924 7.748 1.00 0.00 C ATOM 189 O ASN A 15 -4.336 9.712 7.260 1.00 0.00 O ATOM 190 CB ASN A 15 -3.431 7.315 9.649 1.00 0.00 C ATOM 191 CG ASN A 15 -3.562 5.847 10.041 1.00 0.00 C ATOM 192 OD1 ASN A 15 -2.818 5.003 9.545 1.00 0.00 O ATOM 193 ND2 ASN A 15 -4.470 5.491 10.909 1.00 0.00 N ATOM 0 H ASN A 15 -2.704 6.746 6.760 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.061 7.508 8.242 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.385 7.619 9.699 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.978 7.937 10.358 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.563 4.511 11.177 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.086 6.193 11.319 1.00 0.00 H new ATOM 200 N ARG A 16 -2.239 9.216 7.917 1.00 0.00 N ATOM 201 CA ARG A 16 -1.686 10.514 7.528 1.00 0.00 C ATOM 202 C ARG A 16 -0.992 10.445 6.173 1.00 0.00 C ATOM 203 O ARG A 16 -1.206 9.516 5.394 1.00 0.00 O ATOM 204 CB ARG A 16 -0.677 10.967 8.589 1.00 0.00 C ATOM 205 CG ARG A 16 -1.342 10.997 9.990 1.00 0.00 C ATOM 206 CD ARG A 16 -1.735 12.432 10.363 1.00 0.00 C ATOM 207 NE ARG A 16 -0.569 13.307 10.311 1.00 0.00 N ATOM 208 CZ ARG A 16 -0.695 14.627 10.410 1.00 0.00 C ATOM 209 NH1 ARG A 16 -1.877 15.160 10.556 1.00 0.00 N ATOM 210 NH2 ARG A 16 0.363 15.388 10.360 1.00 0.00 N ATOM 0 H ARG A 16 -1.558 8.573 8.320 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.508 11.225 7.451 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.178 10.290 8.600 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.297 11.957 8.339 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.225 10.358 9.994 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.655 10.596 10.735 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.502 12.796 9.679 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.167 12.449 11.364 1.00 0.00 H new ATOM 0 HE ARG A 16 0.359 12.899 10.197 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.704 14.564 10.594 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.974 16.173 10.632 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.287 14.971 10.245 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.267 16.401 10.436 1.00 0.00 H new ATOM 224 N LYS A 17 -0.157 11.447 5.903 1.00 0.00 N ATOM 225 CA LYS A 17 0.577 11.519 4.644 1.00 0.00 C ATOM 226 C LYS A 17 1.866 10.706 4.725 1.00 0.00 C ATOM 227 O LYS A 17 2.646 10.848 5.667 1.00 0.00 O ATOM 228 CB LYS A 17 0.905 12.988 4.330 1.00 0.00 C ATOM 229 CG LYS A 17 1.932 13.075 3.188 1.00 0.00 C ATOM 230 CD LYS A 17 1.871 14.461 2.539 1.00 0.00 C ATOM 231 CE LYS A 17 2.096 15.535 3.605 1.00 0.00 C ATOM 232 NZ LYS A 17 3.250 15.148 4.464 1.00 0.00 N ATOM 0 H LYS A 17 0.027 12.221 6.542 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.042 11.102 3.850 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.005 13.519 4.051 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.299 13.478 5.220 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.934 12.888 3.573 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.728 12.306 2.444 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.629 14.543 1.760 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.903 14.607 2.059 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.288 16.498 3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.199 15.652 4.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.723 16.005 4.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.910 14.585 5.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.924 14.584 3.907 1.00 0.00 H new ATOM 246 N ILE A 18 2.089 9.867 3.718 1.00 0.00 N ATOM 247 CA ILE A 18 3.294 9.046 3.667 1.00 0.00 C ATOM 248 C ILE A 18 4.453 9.908 3.132 1.00 0.00 C ATOM 249 O ILE A 18 4.269 10.629 2.152 1.00 0.00 O ATOM 250 CB ILE A 18 3.030 7.832 2.737 1.00 0.00 C ATOM 251 CG1 ILE A 18 2.335 6.696 3.529 1.00 0.00 C ATOM 252 CG2 ILE A 18 4.329 7.312 2.095 1.00 0.00 C ATOM 253 CD1 ILE A 18 3.350 5.833 4.297 1.00 0.00 C ATOM 0 H ILE A 18 1.455 9.738 2.930 1.00 0.00 H new ATOM 0 HA ILE A 18 3.559 8.676 4.658 1.00 0.00 H new ATOM 0 HB ILE A 18 2.374 8.167 1.933 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.620 7.126 4.230 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.769 6.067 2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.102 6.462 1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.784 8.105 1.502 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.022 7.000 2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.823 5.048 4.839 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.050 5.381 3.594 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.898 6.457 5.003 1.00 0.00 H new ATOM 265 N PRO A 19 5.630 9.872 3.729 1.00 0.00 N ATOM 266 CA PRO A 19 6.776 10.700 3.239 1.00 0.00 C ATOM 267 C PRO A 19 7.123 10.378 1.783 1.00 0.00 C ATOM 268 O PRO A 19 7.351 9.222 1.427 1.00 0.00 O ATOM 269 CB PRO A 19 7.930 10.347 4.200 1.00 0.00 C ATOM 270 CG PRO A 19 7.540 9.043 4.812 1.00 0.00 C ATOM 271 CD PRO A 19 6.022 9.069 4.907 1.00 0.00 C ATOM 0 HA PRO A 19 6.552 11.767 3.240 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.877 10.265 3.666 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.059 11.117 4.961 1.00 0.00 H new ATOM 0 HG2 PRO A 19 7.880 8.207 4.201 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.992 8.922 5.797 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.598 8.066 4.871 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.683 9.525 5.837 1.00 0.00 H new ATOM 279 N LEU A 20 7.144 11.413 0.945 1.00 0.00 N ATOM 280 CA LEU A 20 7.445 11.240 -0.474 1.00 0.00 C ATOM 281 C LEU A 20 8.890 10.774 -0.680 1.00 0.00 C ATOM 282 O LEU A 20 9.212 10.162 -1.699 1.00 0.00 O ATOM 283 CB LEU A 20 7.201 12.565 -1.223 1.00 0.00 C ATOM 284 CG LEU A 20 5.727 12.665 -1.642 1.00 0.00 C ATOM 285 CD1 LEU A 20 4.835 12.619 -0.402 1.00 0.00 C ATOM 286 CD2 LEU A 20 5.493 13.979 -2.389 1.00 0.00 C ATOM 0 H LEU A 20 6.957 12.376 1.223 1.00 0.00 H new ATOM 0 HA LEU A 20 6.785 10.471 -0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.464 13.408 -0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.843 12.619 -2.103 1.00 0.00 H new ATOM 0 HG LEU A 20 5.482 11.827 -2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.790 12.690 -0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.997 11.680 0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.081 13.454 0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.446 14.048 -2.685 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.741 14.817 -1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.124 14.010 -3.277 1.00 0.00 H new ATOM 298 N GLN A 21 9.757 11.080 0.278 1.00 0.00 N ATOM 299 CA GLN A 21 11.165 10.700 0.174 1.00 0.00 C ATOM 300 C GLN A 21 11.348 9.181 0.230 1.00 0.00 C ATOM 301 O GLN A 21 12.366 8.658 -0.225 1.00 0.00 O ATOM 302 CB GLN A 21 11.967 11.348 1.308 1.00 0.00 C ATOM 303 CG GLN A 21 11.228 11.163 2.632 1.00 0.00 C ATOM 304 CD GLN A 21 12.110 11.620 3.790 1.00 0.00 C ATOM 305 OE1 GLN A 21 11.659 11.667 4.934 1.00 0.00 O ATOM 306 NE2 GLN A 21 13.348 11.963 3.558 1.00 0.00 N ATOM 0 H GLN A 21 9.515 11.586 1.130 1.00 0.00 H new ATOM 0 HA GLN A 21 11.530 11.052 -0.791 1.00 0.00 H new ATOM 0 HB2 GLN A 21 12.958 10.899 1.368 1.00 0.00 H new ATOM 0 HB3 GLN A 21 12.110 12.409 1.105 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.300 11.735 2.623 1.00 0.00 H new ATOM 0 HG3 GLN A 21 10.956 10.116 2.763 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.719 11.923 2.609 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.944 12.271 4.326 1.00 0.00 H new ATOM 315 N ARG A 22 10.372 8.476 0.801 1.00 0.00 N ATOM 316 CA ARG A 22 10.454 7.014 0.924 1.00 0.00 C ATOM 317 C ARG A 22 9.550 6.317 -0.094 1.00 0.00 C ATOM 318 O ARG A 22 9.945 5.327 -0.711 1.00 0.00 O ATOM 319 CB ARG A 22 10.050 6.607 2.347 1.00 0.00 C ATOM 320 CG ARG A 22 11.140 7.051 3.352 1.00 0.00 C ATOM 321 CD ARG A 22 10.506 7.453 4.690 1.00 0.00 C ATOM 322 NE ARG A 22 11.497 7.368 5.756 1.00 0.00 N ATOM 323 CZ ARG A 22 12.531 8.203 5.798 1.00 0.00 C ATOM 324 NH1 ARG A 22 12.658 9.131 4.889 1.00 0.00 N ATOM 325 NH2 ARG A 22 13.417 8.095 6.749 1.00 0.00 N ATOM 0 H ARG A 22 9.520 8.886 1.184 1.00 0.00 H new ATOM 0 HA ARG A 22 11.480 6.705 0.723 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.095 7.063 2.608 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.912 5.527 2.400 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.851 6.239 3.509 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.701 7.891 2.942 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.115 8.468 4.626 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.663 6.800 4.913 1.00 0.00 H new ATOM 0 HE ARG A 22 11.396 6.657 6.481 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.964 9.216 4.146 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.451 9.771 4.921 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.316 7.370 7.460 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.210 8.735 6.782 1.00 0.00 H new ATOM 339 N LEU A 23 8.340 6.838 -0.266 1.00 0.00 N ATOM 340 CA LEU A 23 7.385 6.261 -1.212 1.00 0.00 C ATOM 341 C LEU A 23 8.088 5.933 -2.536 1.00 0.00 C ATOM 342 O LEU A 23 8.969 6.672 -2.976 1.00 0.00 O ATOM 343 CB LEU A 23 6.219 7.269 -1.391 1.00 0.00 C ATOM 344 CG LEU A 23 5.526 7.192 -2.774 1.00 0.00 C ATOM 345 CD1 LEU A 23 6.442 7.751 -3.896 1.00 0.00 C ATOM 346 CD2 LEU A 23 5.064 5.744 -3.088 1.00 0.00 C ATOM 0 H LEU A 23 7.995 7.657 0.235 1.00 0.00 H new ATOM 0 HA LEU A 23 6.978 5.322 -0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.476 7.091 -0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.600 8.279 -1.243 1.00 0.00 H new ATOM 0 HG LEU A 23 4.637 7.821 -2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.927 7.683 -4.854 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.680 8.794 -3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.363 7.170 -3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.581 5.720 -4.065 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.928 5.080 -3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.358 5.414 -2.326 1.00 0.00 H new ATOM 358 N GLU A 24 7.705 4.813 -3.160 1.00 0.00 N ATOM 359 CA GLU A 24 8.315 4.384 -4.430 1.00 0.00 C ATOM 360 C GLU A 24 7.310 4.472 -5.579 1.00 0.00 C ATOM 361 O GLU A 24 7.495 5.243 -6.519 1.00 0.00 O ATOM 362 CB GLU A 24 8.813 2.943 -4.302 1.00 0.00 C ATOM 363 CG GLU A 24 9.360 2.466 -5.650 1.00 0.00 C ATOM 364 CD GLU A 24 10.185 1.198 -5.458 1.00 0.00 C ATOM 365 OE1 GLU A 24 9.720 0.312 -4.761 1.00 0.00 O ATOM 366 OE2 GLU A 24 11.270 1.131 -6.011 1.00 0.00 O ATOM 0 H GLU A 24 6.979 4.188 -2.810 1.00 0.00 H new ATOM 0 HA GLU A 24 9.151 5.049 -4.648 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.591 2.883 -3.541 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.999 2.294 -3.978 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.537 2.274 -6.338 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.975 3.246 -6.099 1.00 0.00 H new ATOM 373 N SER A 25 6.242 3.678 -5.491 1.00 0.00 N ATOM 374 CA SER A 25 5.203 3.673 -6.522 1.00 0.00 C ATOM 375 C SER A 25 3.856 3.282 -5.913 1.00 0.00 C ATOM 376 O SER A 25 3.777 2.965 -4.727 1.00 0.00 O ATOM 377 CB SER A 25 5.572 2.685 -7.630 1.00 0.00 C ATOM 378 OG SER A 25 4.786 2.960 -8.783 1.00 0.00 O ATOM 0 H SER A 25 6.074 3.032 -4.720 1.00 0.00 H new ATOM 0 HA SER A 25 5.125 4.675 -6.944 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.632 2.768 -7.870 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.401 1.662 -7.294 1.00 0.00 H new ATOM 0 HG SER A 25 4.375 2.130 -9.104 1.00 0.00 H new ATOM 384 N TYR A 26 2.796 3.304 -6.730 1.00 0.00 N ATOM 385 CA TYR A 26 1.450 2.948 -6.256 1.00 0.00 C ATOM 386 C TYR A 26 0.879 1.781 -7.063 1.00 0.00 C ATOM 387 O TYR A 26 1.322 1.508 -8.179 1.00 0.00 O ATOM 388 CB TYR A 26 0.513 4.161 -6.355 1.00 0.00 C ATOM 389 CG TYR A 26 0.163 4.437 -7.799 1.00 0.00 C ATOM 390 CD1 TYR A 26 1.049 5.155 -8.610 1.00 0.00 C ATOM 391 CD2 TYR A 26 -1.050 3.977 -8.323 1.00 0.00 C ATOM 392 CE1 TYR A 26 0.723 5.414 -9.946 1.00 0.00 C ATOM 393 CE2 TYR A 26 -1.377 4.235 -9.660 1.00 0.00 C ATOM 394 CZ TYR A 26 -0.491 4.955 -10.472 1.00 0.00 C ATOM 395 OH TYR A 26 -0.813 5.209 -11.789 1.00 0.00 O ATOM 0 H TYR A 26 2.841 3.562 -7.716 1.00 0.00 H new ATOM 0 HA TYR A 26 1.528 2.641 -5.213 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.396 3.975 -5.783 1.00 0.00 H new ATOM 0 HB3 TYR A 26 0.992 5.036 -5.916 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.985 5.510 -8.205 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.734 3.423 -7.697 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.408 5.968 -10.571 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.313 3.879 -10.065 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.689 4.820 -11.992 1.00 0.00 H new ATOM 405 N ARG A 27 -0.105 1.095 -6.484 1.00 0.00 N ATOM 406 CA ARG A 27 -0.733 -0.045 -7.150 1.00 0.00 C ATOM 407 C ARG A 27 -2.082 -0.356 -6.492 1.00 0.00 C ATOM 408 O ARG A 27 -2.186 -0.401 -5.268 1.00 0.00 O ATOM 409 CB ARG A 27 0.211 -1.267 -7.068 1.00 0.00 C ATOM 410 CG ARG A 27 0.137 -2.106 -8.354 1.00 0.00 C ATOM 411 CD ARG A 27 -1.253 -2.730 -8.493 1.00 0.00 C ATOM 412 NE ARG A 27 -1.216 -3.834 -9.445 1.00 0.00 N ATOM 413 CZ ARG A 27 -1.160 -3.610 -10.754 1.00 0.00 C ATOM 414 NH1 ARG A 27 -1.136 -2.385 -11.205 1.00 0.00 N ATOM 415 NH2 ARG A 27 -1.129 -4.614 -11.587 1.00 0.00 N ATOM 0 H ARG A 27 -0.483 1.307 -5.561 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.912 0.194 -8.198 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.235 -0.930 -6.908 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.060 -1.884 -6.211 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.351 -1.479 -9.220 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.895 -2.889 -8.331 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.598 -3.088 -7.523 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.966 -1.976 -8.826 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.233 -4.794 -9.101 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.160 -1.601 -10.553 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.093 -2.212 -12.209 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.148 -5.571 -11.234 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.086 -4.442 -12.591 1.00 0.00 H new ATOM 429 N ARG A 28 -3.112 -0.554 -7.308 1.00 0.00 N ATOM 430 CA ARG A 28 -4.448 -0.842 -6.787 1.00 0.00 C ATOM 431 C ARG A 28 -4.551 -2.298 -6.316 1.00 0.00 C ATOM 432 O ARG A 28 -3.792 -3.160 -6.755 1.00 0.00 O ATOM 433 CB ARG A 28 -5.501 -0.546 -7.885 1.00 0.00 C ATOM 434 CG ARG A 28 -6.636 0.325 -7.326 1.00 0.00 C ATOM 435 CD ARG A 28 -7.650 0.616 -8.434 1.00 0.00 C ATOM 436 NE ARG A 28 -7.988 -0.611 -9.146 1.00 0.00 N ATOM 437 CZ ARG A 28 -8.739 -0.586 -10.242 1.00 0.00 C ATOM 438 NH1 ARG A 28 -9.189 0.551 -10.698 1.00 0.00 N ATOM 439 NH2 ARG A 28 -9.026 -1.698 -10.862 1.00 0.00 N ATOM 0 H ARG A 28 -3.051 -0.521 -8.326 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.638 -0.203 -5.925 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.026 -0.039 -8.725 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.908 -1.482 -8.267 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.125 -0.185 -6.496 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.233 1.258 -6.933 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.551 1.056 -8.006 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.238 1.347 -9.130 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.642 -1.504 -8.796 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.964 1.420 -10.213 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.765 0.571 -11.539 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.674 -2.586 -10.505 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.602 -1.679 -11.703 1.00 0.00 H new ATOM 453 N ILE A 29 -5.503 -2.558 -5.414 1.00 0.00 N ATOM 454 CA ILE A 29 -5.716 -3.910 -4.873 1.00 0.00 C ATOM 455 C ILE A 29 -6.944 -4.543 -5.534 1.00 0.00 C ATOM 456 O ILE A 29 -6.822 -5.478 -6.325 1.00 0.00 O ATOM 457 CB ILE A 29 -5.898 -3.864 -3.318 1.00 0.00 C ATOM 458 CG1 ILE A 29 -5.668 -2.426 -2.815 1.00 0.00 C ATOM 459 CG2 ILE A 29 -4.900 -4.821 -2.641 1.00 0.00 C ATOM 460 CD1 ILE A 29 -5.921 -2.316 -1.304 1.00 0.00 C ATOM 0 H ILE A 29 -6.139 -1.853 -5.042 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.838 -4.517 -5.093 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.911 -4.177 -3.067 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.646 -2.120 -3.038 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.329 -1.742 -3.347 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.034 -4.782 -1.560 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.076 -5.838 -2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.882 -4.522 -2.891 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.750 -1.289 -0.980 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.951 -2.599 -1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.242 -2.982 -0.772 1.00 0.00 H new ATOM 472 N THR A 30 -8.122 -4.027 -5.199 1.00 0.00 N ATOM 473 CA THR A 30 -9.362 -4.547 -5.762 1.00 0.00 C ATOM 474 C THR A 30 -9.478 -6.047 -5.510 1.00 0.00 C ATOM 475 O THR A 30 -10.249 -6.740 -6.173 1.00 0.00 O ATOM 476 CB THR A 30 -9.409 -4.276 -7.268 1.00 0.00 C ATOM 477 OG1 THR A 30 -8.536 -5.176 -7.936 1.00 0.00 O ATOM 478 CG2 THR A 30 -8.973 -2.836 -7.548 1.00 0.00 C ATOM 0 H THR A 30 -8.244 -3.254 -4.545 1.00 0.00 H new ATOM 0 HA THR A 30 -10.197 -4.042 -5.277 1.00 0.00 H new ATOM 0 HB THR A 30 -10.427 -4.419 -7.630 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.910 -5.565 -7.290 1.00 0.00 H new ATOM 0 HG21 THR A 30 -9.008 -2.647 -8.621 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.644 -2.147 -7.036 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.956 -2.687 -7.186 1.00 0.00 H new ATOM 486 N SER A 31 -8.706 -6.542 -4.548 1.00 0.00 N ATOM 487 CA SER A 31 -8.731 -7.962 -4.218 1.00 0.00 C ATOM 488 C SER A 31 -9.987 -8.305 -3.422 1.00 0.00 C ATOM 489 O SER A 31 -10.834 -7.444 -3.181 1.00 0.00 O ATOM 490 CB SER A 31 -7.491 -8.332 -3.403 1.00 0.00 C ATOM 491 OG SER A 31 -7.328 -9.744 -3.412 1.00 0.00 O ATOM 0 H SER A 31 -8.060 -5.986 -3.987 1.00 0.00 H new ATOM 0 HA SER A 31 -8.737 -8.531 -5.148 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.608 -7.850 -3.823 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.594 -7.973 -2.379 1.00 0.00 H new ATOM 0 HG SER A 31 -6.908 -10.030 -2.574 1.00 0.00 H new ATOM 497 N GLY A 32 -10.101 -9.566 -3.018 1.00 0.00 N ATOM 498 CA GLY A 32 -11.258 -10.010 -2.251 1.00 0.00 C ATOM 499 C GLY A 32 -11.129 -9.607 -0.785 1.00 0.00 C ATOM 500 O GLY A 32 -11.924 -8.817 -0.275 1.00 0.00 O ATOM 0 H GLY A 32 -9.412 -10.293 -3.207 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.166 -9.578 -2.672 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -11.356 -11.093 -2.327 1.00 0.00 H new ATOM 504 N LYS A 33 -10.122 -10.156 -0.113 1.00 0.00 N ATOM 505 CA LYS A 33 -9.899 -9.847 1.295 1.00 0.00 C ATOM 506 C LYS A 33 -9.812 -8.339 1.506 1.00 0.00 C ATOM 507 O LYS A 33 -10.549 -7.771 2.311 1.00 0.00 O ATOM 508 CB LYS A 33 -8.606 -10.508 1.775 1.00 0.00 C ATOM 509 CG LYS A 33 -8.704 -12.023 1.583 1.00 0.00 C ATOM 510 CD LYS A 33 -7.332 -12.658 1.816 1.00 0.00 C ATOM 511 CE LYS A 33 -7.412 -14.161 1.545 1.00 0.00 C ATOM 512 NZ LYS A 33 -7.731 -14.390 0.107 1.00 0.00 N ATOM 0 H LYS A 33 -9.453 -10.812 -0.516 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.740 -10.234 1.871 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.756 -10.115 1.218 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.434 -10.274 2.826 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.433 -12.442 2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.055 -12.251 0.577 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.591 -12.199 1.161 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.006 -12.479 2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.465 -14.638 1.799 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.177 -14.615 2.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.459 -15.358 -0.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.752 -14.262 -0.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.205 -13.710 -0.478 1.00 0.00 H new ATOM 526 N CYS A 34 -8.904 -7.696 0.778 1.00 0.00 N ATOM 527 CA CYS A 34 -8.728 -6.253 0.894 1.00 0.00 C ATOM 528 C CYS A 34 -10.080 -5.543 0.762 1.00 0.00 C ATOM 529 O CYS A 34 -10.963 -6.022 0.052 1.00 0.00 O ATOM 530 CB CYS A 34 -7.779 -5.761 -0.201 1.00 0.00 C ATOM 531 SG CYS A 34 -6.144 -6.499 0.042 1.00 0.00 S ATOM 0 H CYS A 34 -8.283 -8.148 0.106 1.00 0.00 H new ATOM 0 HA CYS A 34 -8.303 -6.026 1.872 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -8.169 -6.030 -1.183 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -7.707 -4.674 -0.173 1.00 0.00 H new ATOM 536 N PRO A 35 -10.267 -4.419 1.420 1.00 0.00 N ATOM 537 CA PRO A 35 -11.554 -3.660 1.348 1.00 0.00 C ATOM 538 C PRO A 35 -11.736 -2.980 -0.010 1.00 0.00 C ATOM 539 O PRO A 35 -11.083 -3.342 -0.989 1.00 0.00 O ATOM 540 CB PRO A 35 -11.426 -2.632 2.481 1.00 0.00 C ATOM 541 CG PRO A 35 -9.956 -2.403 2.620 1.00 0.00 C ATOM 542 CD PRO A 35 -9.292 -3.745 2.301 1.00 0.00 C ATOM 0 HA PRO A 35 -12.428 -4.303 1.456 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -11.950 -1.707 2.238 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.858 -3.009 3.408 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.615 -1.626 1.936 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -9.705 -2.073 3.628 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.332 -3.608 1.804 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.103 -4.323 3.206 1.00 0.00 H new ATOM 550 N GLN A 36 -12.630 -1.996 -0.060 1.00 0.00 N ATOM 551 CA GLN A 36 -12.892 -1.272 -1.301 1.00 0.00 C ATOM 552 C GLN A 36 -11.588 -0.943 -2.022 1.00 0.00 C ATOM 553 O GLN A 36 -10.537 -0.812 -1.394 1.00 0.00 O ATOM 554 CB GLN A 36 -13.650 0.022 -0.999 1.00 0.00 C ATOM 555 CG GLN A 36 -12.860 0.855 0.015 1.00 0.00 C ATOM 556 CD GLN A 36 -13.706 2.028 0.496 1.00 0.00 C ATOM 557 OE1 GLN A 36 -14.558 2.525 -0.241 1.00 0.00 O ATOM 558 NE2 GLN A 36 -13.520 2.504 1.698 1.00 0.00 N ATOM 0 H GLN A 36 -13.182 -1.683 0.739 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.497 -1.908 -1.947 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -13.798 0.592 -1.917 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.640 -0.208 -0.604 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.570 0.233 0.862 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.940 1.222 -0.441 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.814 2.091 2.307 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.081 3.289 2.028 1.00 0.00 H new ATOM 567 N LYS A 37 -11.665 -0.808 -3.343 1.00 0.00 N ATOM 568 CA LYS A 37 -10.484 -0.491 -4.140 1.00 0.00 C ATOM 569 C LYS A 37 -9.672 0.616 -3.475 1.00 0.00 C ATOM 570 O LYS A 37 -10.234 1.542 -2.890 1.00 0.00 O ATOM 571 CB LYS A 37 -10.907 -0.048 -5.544 1.00 0.00 C ATOM 572 CG LYS A 37 -11.913 -1.052 -6.117 1.00 0.00 C ATOM 573 CD LYS A 37 -12.027 -0.862 -7.633 1.00 0.00 C ATOM 574 CE LYS A 37 -12.384 0.592 -7.949 1.00 0.00 C ATOM 575 NZ LYS A 37 -11.165 1.441 -7.830 1.00 0.00 N ATOM 0 H LYS A 37 -12.525 -0.912 -3.881 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.864 -1.385 -4.213 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.352 0.946 -5.504 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.034 0.019 -6.194 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.594 -2.070 -5.891 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.887 -0.912 -5.649 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.085 -1.127 -8.114 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.789 -1.529 -8.036 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.795 0.666 -8.956 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.154 0.945 -7.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.243 2.044 -6.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.325 0.833 -7.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.075 2.039 -8.676 1.00 0.00 H new ATOM 589 N ALA A 38 -8.349 0.514 -3.561 1.00 0.00 N ATOM 590 CA ALA A 38 -7.482 1.514 -2.951 1.00 0.00 C ATOM 591 C ALA A 38 -6.064 1.425 -3.514 1.00 0.00 C ATOM 592 O ALA A 38 -5.543 0.338 -3.746 1.00 0.00 O ATOM 593 CB ALA A 38 -7.455 1.310 -1.431 1.00 0.00 C ATOM 0 H ALA A 38 -7.860 -0.241 -4.041 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.877 2.503 -3.181 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.806 2.058 -0.975 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.464 1.413 -1.032 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.075 0.314 -1.204 1.00 0.00 H new ATOM 599 N VAL A 39 -5.439 2.577 -3.724 1.00 0.00 N ATOM 600 CA VAL A 39 -4.078 2.606 -4.248 1.00 0.00 C ATOM 601 C VAL A 39 -3.080 2.343 -3.121 1.00 0.00 C ATOM 602 O VAL A 39 -3.104 3.015 -2.089 1.00 0.00 O ATOM 603 CB VAL A 39 -3.804 3.962 -4.904 1.00 0.00 C ATOM 604 CG1 VAL A 39 -4.956 4.306 -5.852 1.00 0.00 C ATOM 605 CG2 VAL A 39 -3.688 5.044 -3.827 1.00 0.00 C ATOM 0 H VAL A 39 -5.847 3.494 -3.542 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.964 1.825 -5.000 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.870 3.912 -5.464 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.765 5.271 -6.321 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.036 3.538 -6.621 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.888 4.354 -5.289 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.493 6.007 -4.298 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.619 5.098 -3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.869 4.798 -3.151 1.00 0.00 H new ATOM 615 N ILE A 40 -2.220 1.343 -3.312 1.00 0.00 N ATOM 616 CA ILE A 40 -1.231 0.973 -2.295 1.00 0.00 C ATOM 617 C ILE A 40 0.123 1.624 -2.572 1.00 0.00 C ATOM 618 O ILE A 40 0.829 1.228 -3.498 1.00 0.00 O ATOM 619 CB ILE A 40 -1.082 -0.563 -2.270 1.00 0.00 C ATOM 620 CG1 ILE A 40 -2.273 -1.177 -1.528 1.00 0.00 C ATOM 621 CG2 ILE A 40 0.216 -0.984 -1.566 1.00 0.00 C ATOM 622 CD1 ILE A 40 -2.311 -2.681 -1.792 1.00 0.00 C ATOM 0 H ILE A 40 -2.186 0.775 -4.158 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.579 1.330 -1.326 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.050 -0.919 -3.300 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.188 -0.986 -0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.202 -0.714 -1.861 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.293 -2.071 -1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.070 -0.561 -2.094 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.208 -0.619 -0.539 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.158 -3.122 -1.265 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.416 -2.860 -2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.386 -3.136 -1.437 1.00 0.00 H new ATOM 634 N PHE A 41 0.496 2.596 -1.740 1.00 0.00 N ATOM 635 CA PHE A 41 1.788 3.258 -1.894 1.00 0.00 C ATOM 636 C PHE A 41 2.870 2.415 -1.231 1.00 0.00 C ATOM 637 O PHE A 41 2.825 2.171 -0.026 1.00 0.00 O ATOM 638 CB PHE A 41 1.763 4.646 -1.246 1.00 0.00 C ATOM 639 CG PHE A 41 0.713 5.499 -1.915 1.00 0.00 C ATOM 640 CD1 PHE A 41 0.877 5.900 -3.247 1.00 0.00 C ATOM 641 CD2 PHE A 41 -0.420 5.898 -1.201 1.00 0.00 C ATOM 642 CE1 PHE A 41 -0.094 6.698 -3.862 1.00 0.00 C ATOM 643 CE2 PHE A 41 -1.386 6.693 -1.813 1.00 0.00 C ATOM 644 CZ PHE A 41 -1.226 7.095 -3.145 1.00 0.00 C ATOM 0 H PHE A 41 -0.070 2.938 -0.963 1.00 0.00 H new ATOM 0 HA PHE A 41 1.999 3.369 -2.958 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.549 4.557 -0.181 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.741 5.118 -1.336 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.753 5.593 -3.799 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.547 5.590 -0.174 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.031 7.007 -4.889 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.261 7.000 -1.259 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.977 7.711 -3.618 1.00 0.00 H new ATOM 654 N LYS A 42 3.845 1.970 -2.021 1.00 0.00 N ATOM 655 CA LYS A 42 4.937 1.151 -1.493 1.00 0.00 C ATOM 656 C LYS A 42 6.173 2.011 -1.262 1.00 0.00 C ATOM 657 O LYS A 42 6.612 2.738 -2.152 1.00 0.00 O ATOM 658 CB LYS A 42 5.262 0.018 -2.472 1.00 0.00 C ATOM 659 CG LYS A 42 5.239 0.549 -3.907 1.00 0.00 C ATOM 660 CD LYS A 42 5.903 -0.468 -4.838 1.00 0.00 C ATOM 661 CE LYS A 42 5.225 -1.830 -4.676 1.00 0.00 C ATOM 662 NZ LYS A 42 3.750 -1.643 -4.586 1.00 0.00 N ATOM 0 H LYS A 42 3.903 2.160 -3.021 1.00 0.00 H new ATOM 0 HA LYS A 42 4.626 0.719 -0.542 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.243 -0.401 -2.245 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.538 -0.789 -2.362 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.212 0.730 -4.223 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.762 1.504 -3.961 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.827 -0.133 -5.873 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.965 -0.549 -4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.470 -2.473 -5.521 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.595 -2.328 -3.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.270 -2.512 -4.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.486 -1.434 -3.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.462 -0.852 -5.197 1.00 0.00 H new ATOM 676 N THR A 43 6.729 1.924 -0.054 1.00 0.00 N ATOM 677 CA THR A 43 7.920 2.701 0.304 1.00 0.00 C ATOM 678 C THR A 43 9.090 1.763 0.591 1.00 0.00 C ATOM 679 O THR A 43 8.961 0.544 0.489 1.00 0.00 O ATOM 680 CB THR A 43 7.638 3.572 1.547 1.00 0.00 C ATOM 681 OG1 THR A 43 8.189 2.950 2.697 1.00 0.00 O ATOM 682 CG2 THR A 43 6.130 3.748 1.746 1.00 0.00 C ATOM 0 H THR A 43 6.377 1.326 0.693 1.00 0.00 H new ATOM 0 HA THR A 43 8.176 3.350 -0.534 1.00 0.00 H new ATOM 0 HB THR A 43 8.094 4.551 1.398 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.487 2.823 3.369 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.949 4.364 2.626 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.701 4.233 0.869 1.00 0.00 H new ATOM 0 HG23 THR A 43 5.665 2.772 1.884 1.00 0.00 H new ATOM 690 N LYS A 44 10.232 2.345 0.951 1.00 0.00 N ATOM 691 CA LYS A 44 11.423 1.557 1.254 1.00 0.00 C ATOM 692 C LYS A 44 11.414 1.106 2.712 1.00 0.00 C ATOM 693 O LYS A 44 12.412 0.593 3.217 1.00 0.00 O ATOM 694 CB LYS A 44 12.679 2.389 0.985 1.00 0.00 C ATOM 695 CG LYS A 44 12.729 3.569 1.957 1.00 0.00 C ATOM 696 CD LYS A 44 13.751 4.598 1.465 1.00 0.00 C ATOM 697 CE LYS A 44 15.152 3.983 1.486 1.00 0.00 C ATOM 698 NZ LYS A 44 16.170 5.066 1.387 1.00 0.00 N ATOM 0 H LYS A 44 10.357 3.353 1.039 1.00 0.00 H new ATOM 0 HA LYS A 44 11.424 0.675 0.614 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.569 1.771 1.101 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.675 2.751 -0.043 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.744 4.029 2.037 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.000 3.221 2.954 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.500 4.920 0.454 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.723 5.485 2.098 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.298 3.415 2.405 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.267 3.284 0.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.123 4.649 1.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.034 5.590 0.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.065 5.716 2.192 1.00 0.00 H new ATOM 712 N LEU A 45 10.283 1.303 3.385 1.00 0.00 N ATOM 713 CA LEU A 45 10.164 0.911 4.786 1.00 0.00 C ATOM 714 C LEU A 45 10.354 -0.603 4.925 1.00 0.00 C ATOM 715 O LEU A 45 11.480 -1.082 5.059 1.00 0.00 O ATOM 716 CB LEU A 45 8.783 1.348 5.338 1.00 0.00 C ATOM 717 CG LEU A 45 8.867 2.688 6.110 1.00 0.00 C ATOM 718 CD1 LEU A 45 9.793 2.557 7.339 1.00 0.00 C ATOM 719 CD2 LEU A 45 9.363 3.818 5.182 1.00 0.00 C ATOM 0 H LEU A 45 9.445 1.727 2.988 1.00 0.00 H new ATOM 0 HA LEU A 45 10.941 1.407 5.368 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.078 1.448 4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.394 0.573 5.998 1.00 0.00 H new ATOM 0 HG LEU A 45 7.866 2.940 6.461 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.836 3.511 7.865 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.403 1.790 8.008 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.794 2.277 7.012 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.416 4.752 5.742 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.353 3.567 4.800 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.671 3.934 4.348 1.00 0.00 H new ATOM 731 N ALA A 46 9.253 -1.352 4.893 1.00 0.00 N ATOM 732 CA ALA A 46 9.334 -2.804 5.021 1.00 0.00 C ATOM 733 C ALA A 46 7.958 -3.453 4.870 1.00 0.00 C ATOM 734 O ALA A 46 7.811 -4.658 5.070 1.00 0.00 O ATOM 735 CB ALA A 46 9.924 -3.172 6.386 1.00 0.00 C ATOM 0 H ALA A 46 8.308 -0.984 4.781 1.00 0.00 H new ATOM 0 HA ALA A 46 9.978 -3.177 4.225 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.982 -4.257 6.477 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.923 -2.746 6.477 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.287 -2.776 7.177 1.00 0.00 H new ATOM 741 N LYS A 47 6.953 -2.653 4.517 1.00 0.00 N ATOM 742 CA LYS A 47 5.598 -3.180 4.346 1.00 0.00 C ATOM 743 C LYS A 47 4.789 -2.309 3.385 1.00 0.00 C ATOM 744 O LYS A 47 5.215 -1.219 3.007 1.00 0.00 O ATOM 745 CB LYS A 47 4.891 -3.299 5.717 1.00 0.00 C ATOM 746 CG LYS A 47 4.261 -1.963 6.161 1.00 0.00 C ATOM 747 CD LYS A 47 5.323 -0.856 6.221 1.00 0.00 C ATOM 748 CE LYS A 47 6.417 -1.220 7.237 1.00 0.00 C ATOM 749 NZ LYS A 47 5.812 -1.910 8.412 1.00 0.00 N ATOM 0 H LYS A 47 7.047 -1.652 4.346 1.00 0.00 H new ATOM 0 HA LYS A 47 5.669 -4.176 3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.116 -4.064 5.660 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.609 -3.628 6.468 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.471 -1.679 5.466 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.796 -2.082 7.140 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.766 -0.714 5.235 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.857 0.089 6.501 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.160 -1.866 6.768 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.937 -0.319 7.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.470 -1.867 9.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.920 -1.441 8.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.624 -2.904 8.172 1.00 0.00 H new ATOM 763 N ASP A 48 3.616 -2.807 2.993 1.00 0.00 N ATOM 764 CA ASP A 48 2.742 -2.082 2.073 1.00 0.00 C ATOM 765 C ASP A 48 1.767 -1.191 2.841 1.00 0.00 C ATOM 766 O ASP A 48 1.340 -1.529 3.945 1.00 0.00 O ATOM 767 CB ASP A 48 1.956 -3.078 1.216 1.00 0.00 C ATOM 768 CG ASP A 48 1.379 -4.181 2.097 1.00 0.00 C ATOM 769 OD1 ASP A 48 2.147 -4.798 2.817 1.00 0.00 O ATOM 770 OD2 ASP A 48 0.180 -4.393 2.037 1.00 0.00 O ATOM 0 H ASP A 48 3.250 -3.709 3.298 1.00 0.00 H new ATOM 0 HA ASP A 48 3.360 -1.452 1.433 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.152 -2.563 0.690 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.607 -3.511 0.457 1.00 0.00 H new ATOM 775 N ILE A 49 1.419 -0.051 2.242 1.00 0.00 N ATOM 776 CA ILE A 49 0.490 0.902 2.860 1.00 0.00 C ATOM 777 C ILE A 49 -0.787 1.005 2.029 1.00 0.00 C ATOM 778 O ILE A 49 -0.731 1.047 0.806 1.00 0.00 O ATOM 779 CB ILE A 49 1.152 2.280 2.935 1.00 0.00 C ATOM 780 CG1 ILE A 49 2.530 2.165 3.604 1.00 0.00 C ATOM 781 CG2 ILE A 49 0.267 3.242 3.731 1.00 0.00 C ATOM 782 CD1 ILE A 49 2.412 1.468 4.964 1.00 0.00 C ATOM 0 H ILE A 49 1.766 0.237 1.327 1.00 0.00 H new ATOM 0 HA ILE A 49 0.239 0.554 3.862 1.00 0.00 H new ATOM 0 HB ILE A 49 1.279 2.667 1.924 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.208 1.605 2.960 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.961 3.158 3.734 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.745 4.220 3.780 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.702 3.336 3.240 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.126 2.856 4.741 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.398 1.396 5.423 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.752 2.044 5.612 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.002 0.468 4.826 1.00 0.00 H new ATOM 794 N CYS A 50 -1.940 1.051 2.699 1.00 0.00 N ATOM 795 CA CYS A 50 -3.227 1.151 2.002 1.00 0.00 C ATOM 796 C CYS A 50 -3.733 2.591 2.035 1.00 0.00 C ATOM 797 O CYS A 50 -3.415 3.346 2.955 1.00 0.00 O ATOM 798 CB CYS A 50 -4.263 0.247 2.677 1.00 0.00 C ATOM 799 SG CYS A 50 -3.875 -1.497 2.362 1.00 0.00 S ATOM 0 H CYS A 50 -2.011 1.021 3.716 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.083 0.837 0.968 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -4.276 0.436 3.750 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.259 0.479 2.300 1.00 0.00 H new ATOM 804 N ALA A 51 -4.525 2.967 1.035 1.00 0.00 N ATOM 805 CA ALA A 51 -5.068 4.322 0.976 1.00 0.00 C ATOM 806 C ALA A 51 -6.109 4.440 -0.142 1.00 0.00 C ATOM 807 O ALA A 51 -5.874 4.004 -1.269 1.00 0.00 O ATOM 808 CB ALA A 51 -3.929 5.333 0.759 1.00 0.00 C ATOM 0 H ALA A 51 -4.803 2.361 0.263 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.561 4.542 1.923 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.341 6.341 0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.220 5.265 1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.418 5.110 -0.177 1.00 0.00 H new ATOM 814 N ASP A 52 -7.262 5.019 0.187 1.00 0.00 N ATOM 815 CA ASP A 52 -8.350 5.176 -0.784 1.00 0.00 C ATOM 816 C ASP A 52 -8.206 6.501 -1.566 1.00 0.00 C ATOM 817 O ASP A 52 -7.823 7.518 -0.988 1.00 0.00 O ATOM 818 CB ASP A 52 -9.692 5.151 -0.019 1.00 0.00 C ATOM 819 CG ASP A 52 -10.780 4.437 -0.825 1.00 0.00 C ATOM 820 OD1 ASP A 52 -10.470 3.431 -1.443 1.00 0.00 O ATOM 821 OD2 ASP A 52 -11.905 4.903 -0.803 1.00 0.00 O ATOM 0 H ASP A 52 -7.470 5.387 1.115 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.313 4.361 -1.507 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.557 4.648 0.939 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.008 6.171 0.198 1.00 0.00 H new ATOM 826 N PRO A 53 -8.509 6.520 -2.855 1.00 0.00 N ATOM 827 CA PRO A 53 -8.407 7.764 -3.686 1.00 0.00 C ATOM 828 C PRO A 53 -9.432 8.825 -3.279 1.00 0.00 C ATOM 829 O PRO A 53 -10.382 9.105 -4.010 1.00 0.00 O ATOM 830 CB PRO A 53 -8.639 7.268 -5.124 1.00 0.00 C ATOM 831 CG PRO A 53 -9.431 6.011 -4.975 1.00 0.00 C ATOM 832 CD PRO A 53 -8.969 5.374 -3.664 1.00 0.00 C ATOM 0 HA PRO A 53 -7.445 8.261 -3.562 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.180 8.008 -5.714 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.694 7.081 -5.635 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.500 6.224 -4.950 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.259 5.340 -5.817 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.781 4.838 -3.172 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.167 4.655 -3.830 1.00 0.00 H new ATOM 840 N LYS A 54 -9.213 9.422 -2.110 1.00 0.00 N ATOM 841 CA LYS A 54 -10.098 10.470 -1.603 1.00 0.00 C ATOM 842 C LYS A 54 -9.290 11.458 -0.772 1.00 0.00 C ATOM 843 O LYS A 54 -9.346 12.666 -1.000 1.00 0.00 O ATOM 844 CB LYS A 54 -11.221 9.867 -0.736 1.00 0.00 C ATOM 845 CG LYS A 54 -12.280 9.144 -1.613 1.00 0.00 C ATOM 846 CD LYS A 54 -12.025 7.628 -1.622 1.00 0.00 C ATOM 847 CE LYS A 54 -12.761 6.985 -2.802 1.00 0.00 C ATOM 848 NZ LYS A 54 -12.291 7.598 -4.077 1.00 0.00 N ATOM 0 H LYS A 54 -8.430 9.199 -1.495 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.552 10.982 -2.452 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.794 9.163 -0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.701 10.656 -0.158 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.280 9.349 -1.230 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.244 9.531 -2.631 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.956 7.430 -1.697 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.366 7.187 -0.685 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.580 5.910 -2.815 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.836 7.126 -2.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.197 6.860 -4.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.980 8.310 -4.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.368 8.053 -3.924 1.00 0.00 H new ATOM 862 N LYS A 55 -8.527 10.938 0.183 1.00 0.00 N ATOM 863 CA LYS A 55 -7.699 11.794 1.026 1.00 0.00 C ATOM 864 C LYS A 55 -6.722 12.568 0.133 1.00 0.00 C ATOM 865 O LYS A 55 -6.333 12.090 -0.930 1.00 0.00 O ATOM 866 CB LYS A 55 -6.953 10.952 2.097 1.00 0.00 C ATOM 867 CG LYS A 55 -7.406 9.482 2.017 1.00 0.00 C ATOM 868 CD LYS A 55 -6.766 8.659 3.151 1.00 0.00 C ATOM 869 CE LYS A 55 -7.591 8.784 4.438 1.00 0.00 C ATOM 870 NZ LYS A 55 -9.000 8.378 4.175 1.00 0.00 N ATOM 0 H LYS A 55 -8.464 9.942 0.392 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.326 12.506 1.563 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.876 11.019 1.940 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.155 11.350 3.091 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.492 9.426 2.087 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.126 9.061 1.051 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.699 7.612 2.855 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.748 9.005 3.330 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.162 8.156 5.219 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.561 9.811 4.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.397 7.931 5.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.563 9.217 3.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.025 7.702 3.385 1.00 0.00 H new ATOM 884 N LYS A 56 -6.369 13.776 0.548 1.00 0.00 N ATOM 885 CA LYS A 56 -5.484 14.627 -0.246 1.00 0.00 C ATOM 886 C LYS A 56 -4.134 13.975 -0.556 1.00 0.00 C ATOM 887 O LYS A 56 -3.747 13.875 -1.721 1.00 0.00 O ATOM 888 CB LYS A 56 -5.244 15.950 0.486 1.00 0.00 C ATOM 889 CG LYS A 56 -4.670 16.984 -0.490 1.00 0.00 C ATOM 890 CD LYS A 56 -4.054 18.146 0.294 1.00 0.00 C ATOM 891 CE LYS A 56 -3.825 19.333 -0.644 1.00 0.00 C ATOM 892 NZ LYS A 56 -3.309 20.492 0.138 1.00 0.00 N ATOM 0 H LYS A 56 -6.679 14.191 1.427 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.988 14.794 -1.198 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.179 16.316 0.911 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.555 15.797 1.316 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.915 16.520 -1.124 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.456 17.353 -1.148 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.714 18.437 1.111 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.110 17.836 0.742 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.114 19.062 -1.424 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.757 19.602 -1.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.153 21.299 -0.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.002 20.755 0.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.411 20.232 0.593 1.00 0.00 H new ATOM 906 N TRP A 57 -3.397 13.573 0.475 1.00 0.00 N ATOM 907 CA TRP A 57 -2.074 12.985 0.259 1.00 0.00 C ATOM 908 C TRP A 57 -2.127 11.781 -0.675 1.00 0.00 C ATOM 909 O TRP A 57 -1.118 11.418 -1.278 1.00 0.00 O ATOM 910 CB TRP A 57 -1.432 12.587 1.593 1.00 0.00 C ATOM 911 CG TRP A 57 -2.059 11.340 2.134 1.00 0.00 C ATOM 912 CD1 TRP A 57 -3.166 11.306 2.909 1.00 0.00 C ATOM 913 CD2 TRP A 57 -1.631 9.954 1.966 1.00 0.00 C ATOM 914 NE1 TRP A 57 -3.446 9.991 3.230 1.00 0.00 N ATOM 915 CE2 TRP A 57 -2.531 9.120 2.671 1.00 0.00 C ATOM 916 CE3 TRP A 57 -0.563 9.342 1.279 1.00 0.00 C ATOM 917 CZ2 TRP A 57 -2.379 7.734 2.695 1.00 0.00 C ATOM 918 CZ3 TRP A 57 -0.407 7.947 1.302 1.00 0.00 C ATOM 919 CH2 TRP A 57 -1.315 7.145 2.009 1.00 0.00 C ATOM 0 H TRP A 57 -3.684 13.640 1.452 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.461 13.749 -0.219 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.362 12.431 1.455 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -1.545 13.398 2.312 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.738 12.166 3.226 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -4.233 9.699 3.809 1.00 0.00 H new ATOM 0 HE3 TRP A 57 0.141 9.951 0.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.080 7.120 3.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 0.416 7.489 0.773 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -1.191 6.072 2.023 1.00 0.00 H new ATOM 930 N VAL A 58 -3.293 11.163 -0.802 1.00 0.00 N ATOM 931 CA VAL A 58 -3.414 10.005 -1.679 1.00 0.00 C ATOM 932 C VAL A 58 -3.391 10.440 -3.139 1.00 0.00 C ATOM 933 O VAL A 58 -2.585 9.949 -3.921 1.00 0.00 O ATOM 934 CB VAL A 58 -4.715 9.246 -1.381 1.00 0.00 C ATOM 935 CG1 VAL A 58 -4.940 8.152 -2.434 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.628 8.607 0.012 1.00 0.00 C ATOM 0 H VAL A 58 -4.151 11.435 -0.322 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.567 9.343 -1.495 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.550 9.946 -1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.865 7.620 -2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.010 8.607 -3.422 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.105 7.452 -2.415 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.552 8.068 0.223 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.788 7.913 0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.482 9.385 0.761 1.00 0.00 H new ATOM 946 N GLN A 59 -4.281 11.356 -3.500 1.00 0.00 N ATOM 947 CA GLN A 59 -4.347 11.831 -4.878 1.00 0.00 C ATOM 948 C GLN A 59 -3.089 12.623 -5.241 1.00 0.00 C ATOM 949 O GLN A 59 -2.640 12.604 -6.387 1.00 0.00 O ATOM 950 CB GLN A 59 -5.605 12.701 -5.083 1.00 0.00 C ATOM 951 CG GLN A 59 -6.713 12.268 -4.105 1.00 0.00 C ATOM 952 CD GLN A 59 -8.085 12.654 -4.652 1.00 0.00 C ATOM 953 OE1 GLN A 59 -8.390 13.839 -4.789 1.00 0.00 O ATOM 954 NE2 GLN A 59 -8.935 11.717 -4.975 1.00 0.00 N ATOM 0 H GLN A 59 -4.959 11.781 -2.868 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.407 10.964 -5.537 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.360 13.751 -4.925 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.958 12.607 -6.110 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.667 11.190 -3.947 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.555 12.739 -3.135 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.680 10.736 -4.861 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.854 11.966 -5.342 1.00 0.00 H new ATOM 963 N ASP A 60 -2.537 13.328 -4.260 1.00 0.00 N ATOM 964 CA ASP A 60 -1.343 14.138 -4.484 1.00 0.00 C ATOM 965 C ASP A 60 -0.096 13.271 -4.661 1.00 0.00 C ATOM 966 O ASP A 60 0.751 13.559 -5.505 1.00 0.00 O ATOM 967 CB ASP A 60 -1.135 15.082 -3.296 1.00 0.00 C ATOM 968 CG ASP A 60 -0.166 16.198 -3.677 1.00 0.00 C ATOM 969 OD1 ASP A 60 -0.525 17.005 -4.517 1.00 0.00 O ATOM 970 OD2 ASP A 60 0.920 16.228 -3.121 1.00 0.00 O ATOM 0 H ASP A 60 -2.895 13.356 -3.305 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.494 14.708 -5.401 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.090 15.508 -2.988 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.745 14.526 -2.444 1.00 0.00 H new ATOM 975 N SER A 61 0.026 12.230 -3.844 1.00 0.00 N ATOM 976 CA SER A 61 1.195 11.355 -3.908 1.00 0.00 C ATOM 977 C SER A 61 1.369 10.733 -5.295 1.00 0.00 C ATOM 978 O SER A 61 2.453 10.803 -5.873 1.00 0.00 O ATOM 979 CB SER A 61 1.080 10.249 -2.861 1.00 0.00 C ATOM 980 OG SER A 61 1.148 10.823 -1.562 1.00 0.00 O ATOM 0 H SER A 61 -0.661 11.972 -3.136 1.00 0.00 H new ATOM 0 HA SER A 61 2.073 11.968 -3.704 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.140 9.711 -2.985 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.882 9.523 -2.993 1.00 0.00 H new ATOM 0 HG SER A 61 0.326 11.325 -1.383 1.00 0.00 H new ATOM 986 N MET A 62 0.312 10.120 -5.828 1.00 0.00 N ATOM 987 CA MET A 62 0.410 9.496 -7.147 1.00 0.00 C ATOM 988 C MET A 62 0.667 10.547 -8.219 1.00 0.00 C ATOM 989 O MET A 62 1.369 10.288 -9.197 1.00 0.00 O ATOM 990 CB MET A 62 -0.865 8.712 -7.484 1.00 0.00 C ATOM 991 CG MET A 62 -2.105 9.566 -7.207 1.00 0.00 C ATOM 992 SD MET A 62 -3.500 8.929 -8.168 1.00 0.00 S ATOM 993 CE MET A 62 -4.155 7.806 -6.908 1.00 0.00 C ATOM 0 H MET A 62 -0.601 10.043 -5.380 1.00 0.00 H new ATOM 0 HA MET A 62 1.248 8.800 -7.122 1.00 0.00 H new ATOM 0 HB2 MET A 62 -0.849 8.412 -8.532 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.905 7.798 -6.891 1.00 0.00 H new ATOM 0 HG2 MET A 62 -2.343 9.547 -6.143 1.00 0.00 H new ATOM 0 HG3 MET A 62 -1.911 10.605 -7.472 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.027 7.284 -7.303 1.00 0.00 H new ATOM 0 HE2 MET A 62 -3.390 7.079 -6.635 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.443 8.377 -6.026 1.00 0.00 H new ATOM 1003 N LYS A 63 0.104 11.738 -8.032 1.00 0.00 N ATOM 1004 CA LYS A 63 0.297 12.811 -8.995 1.00 0.00 C ATOM 1005 C LYS A 63 1.770 13.203 -9.030 1.00 0.00 C ATOM 1006 O LYS A 63 2.335 13.459 -10.093 1.00 0.00 O ATOM 1007 CB LYS A 63 -0.564 14.023 -8.613 1.00 0.00 C ATOM 1008 CG LYS A 63 -0.254 15.216 -9.531 1.00 0.00 C ATOM 1009 CD LYS A 63 -0.391 14.801 -11.003 1.00 0.00 C ATOM 1010 CE LYS A 63 -0.572 16.043 -11.881 1.00 0.00 C ATOM 1011 NZ LYS A 63 -0.812 15.624 -13.291 1.00 0.00 N ATOM 0 H LYS A 63 -0.482 11.980 -7.233 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.006 12.467 -9.984 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.620 13.764 -8.688 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.376 14.297 -7.575 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.935 16.039 -9.313 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.756 15.578 -9.340 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.494 14.248 -11.318 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.244 14.133 -11.123 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.411 16.638 -11.519 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.315 16.674 -11.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.935 16.467 -13.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.002 15.074 -13.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.670 15.039 -13.338 1.00 0.00 H new ATOM 1025 N TYR A 64 2.387 13.229 -7.853 1.00 0.00 N ATOM 1026 CA TYR A 64 3.798 13.570 -7.745 1.00 0.00 C ATOM 1027 C TYR A 64 4.626 12.523 -8.495 1.00 0.00 C ATOM 1028 O TYR A 64 5.669 12.833 -9.071 1.00 0.00 O ATOM 1029 CB TYR A 64 4.182 13.649 -6.242 1.00 0.00 C ATOM 1030 CG TYR A 64 5.515 12.975 -5.960 1.00 0.00 C ATOM 1031 CD1 TYR A 64 6.664 13.386 -6.646 1.00 0.00 C ATOM 1032 CD2 TYR A 64 5.597 11.942 -5.014 1.00 0.00 C ATOM 1033 CE1 TYR A 64 7.893 12.766 -6.387 1.00 0.00 C ATOM 1034 CE2 TYR A 64 6.826 11.325 -4.755 1.00 0.00 C ATOM 1035 CZ TYR A 64 7.975 11.736 -5.442 1.00 0.00 C ATOM 1036 OH TYR A 64 9.186 11.127 -5.188 1.00 0.00 O ATOM 0 H TYR A 64 1.933 13.019 -6.964 1.00 0.00 H new ATOM 0 HA TYR A 64 4.001 14.541 -8.197 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.231 14.694 -5.935 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.403 13.177 -5.643 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.603 14.181 -7.375 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.711 11.623 -4.485 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.779 13.083 -6.917 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.888 10.532 -4.025 1.00 0.00 H new ATOM 0 HH TYR A 64 9.067 10.434 -4.505 1.00 0.00 H new ATOM 1046 N LEU A 65 4.142 11.286 -8.486 1.00 0.00 N ATOM 1047 CA LEU A 65 4.829 10.197 -9.168 1.00 0.00 C ATOM 1048 C LEU A 65 4.640 10.319 -10.677 1.00 0.00 C ATOM 1049 O LEU A 65 5.398 9.745 -11.459 1.00 0.00 O ATOM 1050 CB LEU A 65 4.284 8.846 -8.671 1.00 0.00 C ATOM 1051 CG LEU A 65 4.928 8.488 -7.308 1.00 0.00 C ATOM 1052 CD1 LEU A 65 3.976 7.598 -6.492 1.00 0.00 C ATOM 1053 CD2 LEU A 65 6.259 7.748 -7.538 1.00 0.00 C ATOM 0 H LEU A 65 3.279 11.013 -8.015 1.00 0.00 H new ATOM 0 HA LEU A 65 5.895 10.254 -8.946 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.200 8.896 -8.569 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.500 8.066 -9.401 1.00 0.00 H new ATOM 0 HG LEU A 65 5.117 9.408 -6.755 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.438 7.352 -5.536 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.041 8.130 -6.317 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.773 6.680 -7.044 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.708 7.499 -6.576 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.074 6.833 -8.100 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.939 8.388 -8.100 1.00 0.00 H new ATOM 1065 N ASP A 66 3.623 11.073 -11.073 1.00 0.00 N ATOM 1066 CA ASP A 66 3.332 11.272 -12.487 1.00 0.00 C ATOM 1067 C ASP A 66 4.437 12.088 -13.157 1.00 0.00 C ATOM 1068 O ASP A 66 4.737 11.894 -14.336 1.00 0.00 O ATOM 1069 CB ASP A 66 1.990 11.999 -12.633 1.00 0.00 C ATOM 1070 CG ASP A 66 1.401 11.755 -14.021 1.00 0.00 C ATOM 1071 OD1 ASP A 66 0.836 10.693 -14.224 1.00 0.00 O ATOM 1072 OD2 ASP A 66 1.523 12.634 -14.857 1.00 0.00 O ATOM 0 H ASP A 66 2.988 11.556 -10.438 1.00 0.00 H new ATOM 0 HA ASP A 66 3.279 10.299 -12.975 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.295 11.650 -11.869 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.129 13.068 -12.473 1.00 0.00 H new ATOM 1077 N GLN A 67 5.030 13.007 -12.401 1.00 0.00 N ATOM 1078 CA GLN A 67 6.091 13.854 -12.933 1.00 0.00 C ATOM 1079 C GLN A 67 7.315 13.025 -13.316 1.00 0.00 C ATOM 1080 O GLN A 67 7.801 13.108 -14.444 1.00 0.00 O ATOM 1081 CB GLN A 67 6.491 14.903 -11.893 1.00 0.00 C ATOM 1082 CG GLN A 67 5.242 15.638 -11.404 1.00 0.00 C ATOM 1083 CD GLN A 67 5.622 16.653 -10.331 1.00 0.00 C ATOM 1084 OE1 GLN A 67 6.583 17.404 -10.498 1.00 0.00 O ATOM 1085 NE2 GLN A 67 4.920 16.722 -9.233 1.00 0.00 N ATOM 0 H GLN A 67 4.795 13.183 -11.424 1.00 0.00 H new ATOM 0 HA GLN A 67 5.713 14.348 -13.828 1.00 0.00 H new ATOM 0 HB2 GLN A 67 6.996 14.425 -11.054 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.196 15.611 -12.328 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.757 16.143 -12.239 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.523 14.924 -11.003 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.124 16.099 -9.097 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.167 17.399 -8.511 1.00 0.00 H new ATOM 1094 N LYS A 68 7.813 12.233 -12.371 1.00 0.00 N ATOM 1095 CA LYS A 68 8.986 11.404 -12.627 1.00 0.00 C ATOM 1096 C LYS A 68 8.608 10.160 -13.427 1.00 0.00 C ATOM 1097 O LYS A 68 9.453 9.560 -14.090 1.00 0.00 O ATOM 1098 CB LYS A 68 9.641 10.991 -11.305 1.00 0.00 C ATOM 1099 CG LYS A 68 8.618 10.260 -10.427 1.00 0.00 C ATOM 1100 CD LYS A 68 9.195 10.036 -9.020 1.00 0.00 C ATOM 1101 CE LYS A 68 10.156 8.842 -9.029 1.00 0.00 C ATOM 1102 NZ LYS A 68 10.582 8.541 -7.633 1.00 0.00 N ATOM 0 H LYS A 68 7.427 12.148 -11.431 1.00 0.00 H new ATOM 0 HA LYS A 68 9.695 11.991 -13.211 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.497 10.344 -11.499 1.00 0.00 H new ATOM 0 HB3 LYS A 68 10.018 11.871 -10.784 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.699 10.843 -10.363 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.358 9.303 -10.879 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.719 10.932 -8.686 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.387 9.857 -8.311 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.668 7.972 -9.468 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.026 9.065 -9.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.234 7.731 -7.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.062 9.371 -7.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.747 8.311 -7.057 1.00 0.00 H new ATOM 1116 N SER A 69 7.335 9.780 -13.367 1.00 0.00 N ATOM 1117 CA SER A 69 6.866 8.608 -14.099 1.00 0.00 C ATOM 1118 C SER A 69 7.831 7.433 -13.913 1.00 0.00 C ATOM 1119 O SER A 69 8.732 7.237 -14.729 1.00 0.00 O ATOM 1120 CB SER A 69 6.761 8.942 -15.587 1.00 0.00 C ATOM 1121 OG SER A 69 6.376 7.776 -16.304 1.00 0.00 O ATOM 0 H SER A 69 6.617 10.261 -12.825 1.00 0.00 H new ATOM 0 HA SER A 69 5.887 8.326 -13.711 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.031 9.736 -15.743 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.717 9.311 -15.957 1.00 0.00 H new ATOM 0 HG SER A 69 6.306 7.987 -17.258 1.00 0.00 H new ATOM 1127 N PRO A 70 7.672 6.657 -12.866 1.00 0.00 N ATOM 1128 CA PRO A 70 8.564 5.495 -12.595 1.00 0.00 C ATOM 1129 C PRO A 70 8.140 4.250 -13.374 1.00 0.00 C ATOM 1130 O PRO A 70 8.826 3.228 -13.349 1.00 0.00 O ATOM 1131 CB PRO A 70 8.407 5.291 -11.087 1.00 0.00 C ATOM 1132 CG PRO A 70 6.996 5.704 -10.795 1.00 0.00 C ATOM 1133 CD PRO A 70 6.636 6.791 -11.824 1.00 0.00 C ATOM 0 HA PRO A 70 9.594 5.672 -12.905 1.00 0.00 H new ATOM 0 HB2 PRO A 70 8.582 4.252 -10.807 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.121 5.896 -10.529 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.319 4.854 -10.876 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.907 6.087 -9.779 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.637 6.638 -12.233 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.648 7.784 -11.375 1.00 0.00 H new ATOM 1141 N THR A 71 7.007 4.344 -14.061 1.00 0.00 N ATOM 1142 CA THR A 71 6.504 3.221 -14.841 1.00 0.00 C ATOM 1143 C THR A 71 6.322 1.991 -13.955 1.00 0.00 C ATOM 1144 O THR A 71 7.121 1.057 -14.004 1.00 0.00 O ATOM 1145 CB THR A 71 7.480 2.893 -15.974 1.00 0.00 C ATOM 1146 OG1 THR A 71 7.743 4.071 -16.723 1.00 0.00 O ATOM 1147 CG2 THR A 71 6.865 1.831 -16.887 1.00 0.00 C ATOM 0 H THR A 71 6.424 5.180 -14.094 1.00 0.00 H new ATOM 0 HA THR A 71 5.538 3.500 -15.261 1.00 0.00 H new ATOM 0 HB THR A 71 8.412 2.512 -15.555 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.369 3.865 -17.448 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.560 1.598 -17.694 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.662 0.929 -16.310 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.934 2.209 -17.309 1.00 0.00 H new ATOM 1155 N PRO A 72 5.292 1.978 -13.151 1.00 0.00 N ATOM 1156 CA PRO A 72 5.000 0.839 -12.231 1.00 0.00 C ATOM 1157 C PRO A 72 5.088 -0.512 -12.941 1.00 0.00 C ATOM 1158 O PRO A 72 4.375 -0.762 -13.912 1.00 0.00 O ATOM 1159 CB PRO A 72 3.572 1.126 -11.748 1.00 0.00 C ATOM 1160 CG PRO A 72 3.437 2.614 -11.830 1.00 0.00 C ATOM 1161 CD PRO A 72 4.288 3.051 -13.026 1.00 0.00 C ATOM 0 HA PRO A 72 5.721 0.769 -11.416 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.834 0.626 -12.375 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.419 0.770 -10.729 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.395 2.904 -11.966 1.00 0.00 H new ATOM 0 HG3 PRO A 72 3.783 3.088 -10.911 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.688 3.146 -13.931 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.757 4.020 -12.852 1.00 0.00 H new ATOM 1169 N LYS A 73 5.970 -1.377 -12.448 1.00 0.00 N ATOM 1170 CA LYS A 73 6.145 -2.697 -13.043 1.00 0.00 C ATOM 1171 C LYS A 73 6.830 -3.642 -12.059 1.00 0.00 C ATOM 1172 O LYS A 73 7.908 -4.167 -12.337 1.00 0.00 O ATOM 1173 CB LYS A 73 6.986 -2.589 -14.318 1.00 0.00 C ATOM 1174 CG LYS A 73 6.868 -3.884 -15.123 1.00 0.00 C ATOM 1175 CD LYS A 73 7.765 -3.800 -16.359 1.00 0.00 C ATOM 1176 CE LYS A 73 7.811 -5.164 -17.051 1.00 0.00 C ATOM 1177 NZ LYS A 73 6.486 -5.452 -17.669 1.00 0.00 N ATOM 0 H LYS A 73 6.570 -1.189 -11.645 1.00 0.00 H new ATOM 0 HA LYS A 73 5.161 -3.097 -13.289 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.648 -1.744 -14.918 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.029 -2.402 -14.063 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.158 -4.735 -14.507 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.832 -4.046 -15.422 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.385 -3.044 -17.046 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.770 -3.492 -16.071 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.589 -5.171 -17.814 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.065 -5.941 -16.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.558 -6.301 -18.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.782 -5.613 -16.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.192 -4.643 -18.253 1.00 0.00 H new ATOM 1191 N PRO A 74 6.225 -3.864 -10.922 1.00 0.00 N ATOM 1192 CA PRO A 74 6.787 -4.764 -9.871 1.00 0.00 C ATOM 1193 C PRO A 74 6.626 -6.239 -10.240 1.00 0.00 C ATOM 1194 O PRO A 74 6.081 -6.509 -11.297 1.00 0.00 O ATOM 1195 CB PRO A 74 5.966 -4.404 -8.626 1.00 0.00 C ATOM 1196 CG PRO A 74 4.644 -3.952 -9.162 1.00 0.00 C ATOM 1197 CD PRO A 74 4.936 -3.279 -10.508 1.00 0.00 C ATOM 1198 OXT PRO A 74 7.050 -7.074 -9.458 1.00 0.00 O ATOM 0 HA PRO A 74 7.859 -4.630 -9.730 1.00 0.00 H new ATOM 0 HB2 PRO A 74 5.853 -5.263 -7.964 1.00 0.00 H new ATOM 0 HB3 PRO A 74 6.449 -3.617 -8.047 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.966 -4.796 -9.288 1.00 0.00 H new ATOM 0 HG3 PRO A 74 4.163 -3.256 -8.475 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.151 -3.484 -11.236 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.002 -2.196 -10.407 1.00 0.00 H new TER 1206 PRO A 74 ATOM 1207 N VAL B 208 -10.963 16.893 14.655 1.00 0.00 N ATOM 1208 CA VAL B 208 -11.276 16.143 13.406 1.00 0.00 C ATOM 1209 C VAL B 208 -11.767 14.744 13.766 1.00 0.00 C ATOM 1210 O VAL B 208 -12.142 14.482 14.908 1.00 0.00 O ATOM 1211 CB VAL B 208 -10.017 16.049 12.542 1.00 0.00 C ATOM 1212 CG1 VAL B 208 -9.569 17.453 12.138 1.00 0.00 C ATOM 1213 CG2 VAL B 208 -8.903 15.368 13.340 1.00 0.00 C ATOM 0 HA VAL B 208 -12.055 16.663 12.848 1.00 0.00 H new ATOM 0 HB VAL B 208 -10.233 15.466 11.647 1.00 0.00 H new ATOM 0 HG11 VAL B 208 -8.672 17.386 11.522 1.00 0.00 H new ATOM 0 HG12 VAL B 208 -10.363 17.939 11.571 1.00 0.00 H new ATOM 0 HG13 VAL B 208 -9.352 18.037 13.032 1.00 0.00 H new ATOM 0 HG21 VAL B 208 -8.005 15.300 12.726 1.00 0.00 H new ATOM 0 HG22 VAL B 208 -8.687 15.952 14.235 1.00 0.00 H new ATOM 0 HG23 VAL B 208 -9.222 14.366 13.628 1.00 0.00 H new ATOM 1225 N GLU B 209 -11.762 13.849 12.783 1.00 0.00 N ATOM 1226 CA GLU B 209 -12.209 12.479 13.007 1.00 0.00 C ATOM 1227 C GLU B 209 -11.906 11.611 11.791 1.00 0.00 C ATOM 1228 O GLU B 209 -11.537 12.117 10.731 1.00 0.00 O ATOM 1229 CB GLU B 209 -13.713 12.460 13.290 1.00 0.00 C ATOM 1230 CG GLU B 209 -14.464 13.063 12.102 1.00 0.00 C ATOM 1231 CD GLU B 209 -15.953 13.156 12.418 1.00 0.00 C ATOM 1232 OE1 GLU B 209 -16.617 12.135 12.353 1.00 0.00 O ATOM 1233 OE2 GLU B 209 -16.406 14.247 12.723 1.00 0.00 O ATOM 0 H GLU B 209 -11.456 14.046 11.830 1.00 0.00 H new ATOM 0 HA GLU B 209 -11.673 12.078 13.867 1.00 0.00 H new ATOM 0 HB2 GLU B 209 -14.048 11.438 13.464 1.00 0.00 H new ATOM 0 HB3 GLU B 209 -13.930 13.026 14.196 1.00 0.00 H new ATOM 0 HG2 GLU B 209 -14.069 14.054 11.877 1.00 0.00 H new ATOM 0 HG3 GLU B 209 -14.310 12.449 11.215 1.00 0.00 H new ATOM 1240 N THR B 210 -12.065 10.301 11.951 1.00 0.00 N ATOM 1241 CA THR B 210 -11.806 9.371 10.858 1.00 0.00 C ATOM 1242 C THR B 210 -10.392 9.561 10.316 1.00 0.00 C ATOM 1243 O THR B 210 -10.146 10.444 9.496 1.00 0.00 O ATOM 1244 CB THR B 210 -12.819 9.592 9.733 1.00 0.00 C ATOM 1245 OG1 THR B 210 -14.129 9.347 10.224 1.00 0.00 O ATOM 1246 CG2 THR B 210 -12.518 8.634 8.578 1.00 0.00 C ATOM 0 H THR B 210 -12.370 9.862 12.820 1.00 0.00 H new ATOM 0 HA THR B 210 -11.903 8.355 11.240 1.00 0.00 H new ATOM 0 HB THR B 210 -12.750 10.620 9.377 1.00 0.00 H new ATOM 0 HG1 THR B 210 -14.780 9.490 9.505 1.00 0.00 H new ATOM 0 HG21 THR B 210 -13.240 8.792 7.777 1.00 0.00 H new ATOM 0 HG22 THR B 210 -11.512 8.822 8.202 1.00 0.00 H new ATOM 0 HG23 THR B 210 -12.587 7.605 8.931 1.00 0.00 H new ATOM 1254 N PHE B 211 -9.468 8.726 10.782 1.00 0.00 N ATOM 1255 CA PHE B 211 -8.081 8.807 10.339 1.00 0.00 C ATOM 1256 C PHE B 211 -7.530 10.215 10.557 1.00 0.00 C ATOM 1257 O PHE B 211 -7.920 11.158 9.868 1.00 0.00 O ATOM 1258 CB PHE B 211 -7.982 8.440 8.854 1.00 0.00 C ATOM 1259 CG PHE B 211 -8.167 6.945 8.680 1.00 0.00 C ATOM 1260 CD1 PHE B 211 -7.237 6.050 9.230 1.00 0.00 C ATOM 1261 CD2 PHE B 211 -9.273 6.452 7.973 1.00 0.00 C ATOM 1262 CE1 PHE B 211 -7.415 4.672 9.073 1.00 0.00 C ATOM 1263 CE2 PHE B 211 -9.447 5.073 7.818 1.00 0.00 C ATOM 1264 CZ PHE B 211 -8.518 4.186 8.369 1.00 0.00 C ATOM 0 H PHE B 211 -9.654 7.989 11.463 1.00 0.00 H new ATOM 0 HA PHE B 211 -7.490 8.103 10.926 1.00 0.00 H new ATOM 0 HB2 PHE B 211 -8.741 8.978 8.286 1.00 0.00 H new ATOM 0 HB3 PHE B 211 -7.013 8.744 8.459 1.00 0.00 H new ATOM 0 HD1 PHE B 211 -6.383 6.425 9.775 1.00 0.00 H new ATOM 0 HD2 PHE B 211 -9.991 7.138 7.548 1.00 0.00 H new ATOM 0 HE1 PHE B 211 -6.699 3.983 9.497 1.00 0.00 H new ATOM 0 HE2 PHE B 211 -10.299 4.694 7.273 1.00 0.00 H new ATOM 0 HZ PHE B 211 -8.654 3.121 8.250 1.00 0.00 H new ATOM 1274 N GLY B 212 -6.619 10.348 11.517 1.00 0.00 N ATOM 1275 CA GLY B 212 -6.021 11.646 11.814 1.00 0.00 C ATOM 1276 C GLY B 212 -5.153 11.578 13.066 1.00 0.00 C ATOM 1277 O GLY B 212 -5.538 10.972 14.067 1.00 0.00 O ATOM 0 H GLY B 212 -6.281 9.581 12.098 1.00 0.00 H new ATOM 0 HA2 GLY B 212 -5.418 11.974 10.967 1.00 0.00 H new ATOM 0 HA3 GLY B 212 -6.807 12.389 11.953 1.00 0.00 H new ATOM 1281 N THR B 213 -3.984 12.208 13.003 1.00 0.00 N ATOM 1282 CA THR B 213 -3.066 12.218 14.139 1.00 0.00 C ATOM 1283 C THR B 213 -1.882 13.143 13.862 1.00 0.00 C ATOM 1284 O THR B 213 -2.012 14.130 13.137 1.00 0.00 O ATOM 1285 CB THR B 213 -2.561 10.798 14.420 1.00 0.00 C ATOM 1286 OG1 THR B 213 -1.699 10.818 15.549 1.00 0.00 O ATOM 1287 CG2 THR B 213 -1.801 10.268 13.203 1.00 0.00 C ATOM 0 H THR B 213 -3.651 12.715 12.183 1.00 0.00 H new ATOM 0 HA THR B 213 -3.602 12.587 15.013 1.00 0.00 H new ATOM 0 HB THR B 213 -3.411 10.146 14.622 1.00 0.00 H new ATOM 0 HG1 THR B 213 -1.377 9.910 15.731 1.00 0.00 H new ATOM 0 HG21 THR B 213 -1.444 9.259 13.408 1.00 0.00 H new ATOM 0 HG22 THR B 213 -2.465 10.250 12.339 1.00 0.00 H new ATOM 0 HG23 THR B 213 -0.951 10.918 12.994 1.00 0.00 H new ATOM 1295 N THR B 214 -0.729 12.822 14.445 1.00 0.00 N ATOM 1296 CA THR B 214 0.471 13.635 14.255 1.00 0.00 C ATOM 1297 C THR B 214 1.195 13.244 12.969 1.00 0.00 C ATOM 1298 O THR B 214 0.696 12.434 12.186 1.00 0.00 O ATOM 1299 CB THR B 214 1.415 13.454 15.445 1.00 0.00 C ATOM 1300 OG1 THR B 214 2.569 14.260 15.260 1.00 0.00 O ATOM 1301 CG2 THR B 214 1.826 11.987 15.550 1.00 0.00 C ATOM 0 H THR B 214 -0.600 12.010 15.049 1.00 0.00 H new ATOM 0 HA THR B 214 0.167 14.679 14.181 1.00 0.00 H new ATOM 0 HB THR B 214 0.907 13.754 16.362 1.00 0.00 H new ATOM 0 HG1 THR B 214 3.173 14.146 16.023 1.00 0.00 H new ATOM 0 HG21 THR B 214 2.499 11.857 16.398 1.00 0.00 H new ATOM 0 HG22 THR B 214 0.939 11.370 15.693 1.00 0.00 H new ATOM 0 HG23 THR B 214 2.334 11.685 14.634 1.00 0.00 H new ATOM 1309 N SER B 215 2.373 13.824 12.760 1.00 0.00 N ATOM 1310 CA SER B 215 3.159 13.530 11.566 1.00 0.00 C ATOM 1311 C SER B 215 3.468 12.040 11.480 1.00 0.00 C ATOM 1312 O SER B 215 3.748 11.396 12.490 1.00 0.00 O ATOM 1313 CB SER B 215 4.472 14.317 11.596 1.00 0.00 C ATOM 1314 OG SER B 215 4.199 15.695 11.380 1.00 0.00 O ATOM 0 H SER B 215 2.802 14.496 13.397 1.00 0.00 H new ATOM 0 HA SER B 215 2.576 13.823 10.693 1.00 0.00 H new ATOM 0 HB2 SER B 215 4.970 14.179 12.556 1.00 0.00 H new ATOM 0 HB3 SER B 215 5.150 13.944 10.829 1.00 0.00 H new ATOM 0 HG SER B 215 5.038 16.202 11.400 1.00 0.00 H new HETATM 1320 N TYS B 216 3.421 11.498 10.267 1.00 0.00 N HETATM 1321 CA TYS B 216 3.706 10.083 10.070 1.00 0.00 C HETATM 1322 CB TYS B 216 3.326 9.670 8.629 1.00 0.00 C HETATM 1323 CG TYS B 216 2.791 8.247 8.600 1.00 0.00 C HETATM 1324 CD1 TYS B 216 1.652 7.909 9.347 1.00 0.00 C HETATM 1325 CD2 TYS B 216 3.430 7.269 7.825 1.00 0.00 C HETATM 1326 CE1 TYS B 216 1.160 6.600 9.320 1.00 0.00 C HETATM 1327 CE2 TYS B 216 2.935 5.960 7.800 1.00 0.00 C HETATM 1328 CZ TYS B 216 1.801 5.625 8.548 1.00 0.00 C HETATM 1329 OH TYS B 216 1.315 4.336 8.523 1.00 0.00 O HETATM 1330 S TYS B 216 1.309 3.493 9.805 1.00 0.00 S HETATM 1331 O1 TYS B 216 1.703 2.093 9.481 1.00 0.00 O HETATM 1332 O2 TYS B 216 2.275 4.068 10.783 1.00 0.00 O HETATM 1333 O3 TYS B 216 -0.059 3.499 10.397 1.00 0.00 O HETATM 1334 C TYS B 216 5.185 9.816 10.350 1.00 0.00 C HETATM 1335 O TYS B 216 6.048 10.611 9.979 1.00 0.00 O HETATM 0 HO3 TYS B 216 -0.643 4.079 9.865 1.00 0.00 H new HETATM 0 HE2 TYS B 216 3.433 5.201 7.197 1.00 0.00 H new HETATM 0 HE1 TYS B 216 0.276 6.339 9.901 1.00 0.00 H new HETATM 0 HD2 TYS B 216 4.313 7.528 7.241 1.00 0.00 H new HETATM 0 HD1 TYS B 216 1.150 8.667 9.949 1.00 0.00 H new HETATM 0 HB3 TYS B 216 2.574 10.354 8.236 1.00 0.00 H new HETATM 0 HB2 TYS B 216 4.199 9.749 7.981 1.00 0.00 H new HETATM 0 HA TYS B 216 3.113 9.486 10.762 1.00 0.00 H new HETATM 0 H TYS B 216 3.029 12.050 9.504 1.00 0.00 H new HETATM 1344 N TYS B 217 5.462 8.709 11.030 1.00 0.00 N HETATM 1345 CA TYS B 217 6.834 8.361 11.385 1.00 0.00 C HETATM 1346 CB TYS B 217 7.676 8.090 10.128 1.00 0.00 C HETATM 1347 CG TYS B 217 7.184 6.828 9.448 1.00 0.00 C HETATM 1348 CD1 TYS B 217 6.644 6.890 8.154 1.00 0.00 C HETATM 1349 CD2 TYS B 217 7.250 5.598 10.117 1.00 0.00 C HETATM 1350 CE1 TYS B 217 6.169 5.725 7.536 1.00 0.00 C HETATM 1351 CE2 TYS B 217 6.780 4.437 9.497 1.00 0.00 C HETATM 1352 CZ TYS B 217 6.238 4.500 8.209 1.00 0.00 C HETATM 1353 OH TYS B 217 5.761 3.356 7.612 1.00 0.00 O HETATM 1354 S TYS B 217 4.807 2.437 8.390 1.00 0.00 S HETATM 1355 O1 TYS B 217 5.386 1.067 8.467 1.00 0.00 O HETATM 1356 O2 TYS B 217 4.615 2.973 9.767 1.00 0.00 O HETATM 1357 O3 TYS B 217 3.491 2.383 7.694 1.00 0.00 O HETATM 1358 C TYS B 217 7.461 9.488 12.199 1.00 0.00 C HETATM 1359 O TYS B 217 7.323 9.526 13.421 1.00 0.00 O HETATM 0 HO3 TYS B 217 2.794 2.741 8.283 1.00 0.00 H new HETATM 0 HE2 TYS B 217 6.836 3.481 10.018 1.00 0.00 H new HETATM 0 HE1 TYS B 217 5.746 5.773 6.532 1.00 0.00 H new HETATM 0 HD2 TYS B 217 7.668 5.547 11.122 1.00 0.00 H new HETATM 0 HD1 TYS B 217 6.594 7.844 7.630 1.00 0.00 H new HETATM 0 HB3 TYS B 217 7.607 8.935 9.443 1.00 0.00 H new HETATM 0 HB2 TYS B 217 8.727 7.984 10.398 1.00 0.00 H new HETATM 0 HA TYS B 217 6.813 7.451 11.984 1.00 0.00 H new ATOM 1368 N ASP B 218 8.142 10.403 11.514 1.00 0.00 N ATOM 1369 CA ASP B 218 8.784 11.534 12.183 1.00 0.00 C ATOM 1370 C ASP B 218 9.963 11.062 13.030 1.00 0.00 C ATOM 1371 O ASP B 218 11.008 11.712 13.071 1.00 0.00 O ATOM 1372 CB ASP B 218 7.770 12.276 13.066 1.00 0.00 C ATOM 1373 CG ASP B 218 8.247 13.701 13.336 1.00 0.00 C ATOM 1374 OD1 ASP B 218 8.308 14.473 12.393 1.00 0.00 O ATOM 1375 OD2 ASP B 218 8.544 13.998 14.482 1.00 0.00 O ATOM 0 H ASP B 218 8.264 10.385 10.501 1.00 0.00 H new ATOM 0 HA ASP B 218 9.156 12.216 11.418 1.00 0.00 H new ATOM 0 HB2 ASP B 218 6.797 12.298 12.575 1.00 0.00 H new ATOM 0 HB3 ASP B 218 7.640 11.744 14.008 1.00 0.00 H new ATOM 1380 N ASP B 219 9.794 9.927 13.703 1.00 0.00 N ATOM 1381 CA ASP B 219 10.855 9.381 14.537 1.00 0.00 C ATOM 1382 C ASP B 219 11.973 8.831 13.662 1.00 0.00 C ATOM 1383 O ASP B 219 13.152 8.972 13.983 1.00 0.00 O ATOM 1384 CB ASP B 219 10.302 8.265 15.426 1.00 0.00 C ATOM 1385 CG ASP B 219 9.363 8.852 16.475 1.00 0.00 C ATOM 1386 OD1 ASP B 219 9.405 10.055 16.672 1.00 0.00 O ATOM 1387 OD2 ASP B 219 8.618 8.090 17.067 1.00 0.00 O ATOM 0 H ASP B 219 8.938 9.372 13.686 1.00 0.00 H new ATOM 0 HA ASP B 219 11.251 10.177 15.167 1.00 0.00 H new ATOM 0 HB2 ASP B 219 9.770 7.534 14.818 1.00 0.00 H new ATOM 0 HB3 ASP B 219 11.122 7.737 15.914 1.00 0.00 H new ATOM 1392 N VAL B 220 11.583 8.211 12.551 1.00 0.00 N ATOM 1393 CA VAL B 220 12.539 7.636 11.607 1.00 0.00 C ATOM 1394 C VAL B 220 13.277 6.448 12.222 1.00 0.00 C ATOM 1395 O VAL B 220 13.556 5.463 11.537 1.00 0.00 O ATOM 1396 CB VAL B 220 13.545 8.701 11.154 1.00 0.00 C ATOM 1397 CG1 VAL B 220 14.288 8.205 9.912 1.00 0.00 C ATOM 1398 CG2 VAL B 220 12.798 9.998 10.818 1.00 0.00 C ATOM 0 H VAL B 220 10.606 8.093 12.281 1.00 0.00 H new ATOM 0 HA VAL B 220 11.981 7.279 10.741 1.00 0.00 H new ATOM 0 HB VAL B 220 14.260 8.890 11.954 1.00 0.00 H new ATOM 0 HG11 VAL B 220 15.003 8.962 9.590 1.00 0.00 H new ATOM 0 HG12 VAL B 220 14.818 7.282 10.149 1.00 0.00 H new ATOM 0 HG13 VAL B 220 13.573 8.017 9.111 1.00 0.00 H new ATOM 0 HG21 VAL B 220 13.512 10.756 10.496 1.00 0.00 H new ATOM 0 HG22 VAL B 220 12.083 9.809 10.017 1.00 0.00 H new ATOM 0 HG23 VAL B 220 12.267 10.352 11.702 1.00 0.00 H new ATOM 1408 N GLY B 221 13.586 6.538 13.511 1.00 0.00 N ATOM 1409 CA GLY B 221 14.285 5.455 14.192 1.00 0.00 C ATOM 1410 C GLY B 221 13.326 4.313 14.509 1.00 0.00 C ATOM 1411 O GLY B 221 13.667 3.385 15.242 1.00 0.00 O ATOM 0 H GLY B 221 13.366 7.341 14.100 1.00 0.00 H new ATOM 0 HA2 GLY B 221 15.099 5.090 13.566 1.00 0.00 H new ATOM 0 HA3 GLY B 221 14.733 5.827 15.113 1.00 0.00 H new ATOM 1415 N LEU B 222 12.122 4.394 13.952 1.00 0.00 N ATOM 1416 CA LEU B 222 11.112 3.368 14.178 1.00 0.00 C ATOM 1417 C LEU B 222 11.438 2.115 13.368 1.00 0.00 C ATOM 1418 O LEU B 222 11.472 1.008 13.907 1.00 0.00 O ATOM 1419 CB LEU B 222 9.732 3.909 13.778 1.00 0.00 C ATOM 1420 CG LEU B 222 8.678 2.794 13.825 1.00 0.00 C ATOM 1421 CD1 LEU B 222 8.720 2.084 15.184 1.00 0.00 C ATOM 1422 CD2 LEU B 222 7.291 3.412 13.616 1.00 0.00 C ATOM 0 H LEU B 222 11.823 5.156 13.344 1.00 0.00 H new ATOM 0 HA LEU B 222 11.103 3.104 15.236 1.00 0.00 H new ATOM 0 HB2 LEU B 222 9.444 4.717 14.450 1.00 0.00 H new ATOM 0 HB3 LEU B 222 9.778 4.331 12.774 1.00 0.00 H new ATOM 0 HG LEU B 222 8.886 2.067 13.040 1.00 0.00 H new ATOM 0 HD11 LEU B 222 7.968 1.295 15.206 1.00 0.00 H new ATOM 0 HD12 LEU B 222 9.707 1.648 15.337 1.00 0.00 H new ATOM 0 HD13 LEU B 222 8.514 2.803 15.977 1.00 0.00 H new ATOM 0 HD21 LEU B 222 6.535 2.628 13.648 1.00 0.00 H new ATOM 0 HD22 LEU B 222 7.094 4.138 14.404 1.00 0.00 H new ATOM 0 HD23 LEU B 222 7.257 3.910 12.647 1.00 0.00 H new ATOM 1434 N LEU B 223 11.679 2.298 12.073 1.00 0.00 N ATOM 1435 CA LEU B 223 12.004 1.175 11.198 1.00 0.00 C ATOM 1436 C LEU B 223 13.030 0.260 11.863 1.00 0.00 C ATOM 1437 O LEU B 223 14.142 0.711 12.084 1.00 0.00 O ATOM 1438 CB LEU B 223 12.554 1.702 9.864 1.00 0.00 C ATOM 1439 CG LEU B 223 13.122 0.551 9.019 1.00 0.00 C ATOM 1440 CD1 LEU B 223 12.105 -0.593 8.937 1.00 0.00 C ATOM 1441 CD2 LEU B 223 13.424 1.066 7.609 1.00 0.00 C ATOM 1442 OXT LEU B 223 12.687 -0.878 12.141 1.00 0.00 O ATOM 0 H LEU B 223 11.656 3.206 11.609 1.00 0.00 H new ATOM 0 HA LEU B 223 11.098 0.599 11.011 1.00 0.00 H new ATOM 0 HB2 LEU B 223 11.762 2.208 9.313 1.00 0.00 H new ATOM 0 HB3 LEU B 223 13.333 2.441 10.052 1.00 0.00 H new ATOM 0 HG LEU B 223 14.036 0.180 9.483 1.00 0.00 H new ATOM 0 HD11 LEU B 223 12.517 -1.404 8.336 1.00 0.00 H new ATOM 0 HD12 LEU B 223 11.888 -0.959 9.940 1.00 0.00 H new ATOM 0 HD13 LEU B 223 11.186 -0.231 8.476 1.00 0.00 H new ATOM 0 HD21 LEU B 223 13.828 0.254 7.004 1.00 0.00 H new ATOM 0 HD22 LEU B 223 12.506 1.437 7.153 1.00 0.00 H new ATOM 0 HD23 LEU B 223 14.154 1.874 7.665 1.00 0.00 H new TER 1454 LEU B 223