USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=25 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 HE2:sc= 0.081 K(o=0.092,f=-2.1) USER MOD Set 1.2: B 199 CYS SG : rot 180:sc= 0.0112 USER MOD Single : A 21 TYR OH : rot 39:sc= 1.28 USER MOD Single : A 23 LYS NZ :NH3+ -108:sc= 0.557 (180deg=-0.582) USER MOD Single : A 25 LYS NZ :NH3+ -161:sc= 1.3 (180deg=0.981) USER MOD Single : A 29 GLN : amide:sc= -0.053 X(o=-0.053,f=-0.32) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -128:sc=-0.00797 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -118:sc= 0.898 (180deg=-0.199!) USER MOD Single : A 40 MET CE :methyl 143:sc= -0.233 (180deg=-2.82!) USER MOD Single : A 41 THR OG1 : rot 48:sc= 1.2 USER MOD Single : A 42 THR OG1 : rot -60:sc= -0.037 USER MOD Single : A 43 HIS : no HE2:sc= -3.43! C(o=-3.4!,f=-5.2!) USER MOD Single : A 45 LYS NZ :NH3+ 171:sc= 1.26 (180deg=1.12) USER MOD Single : A 46 LYS NZ :NH3+ 163:sc= 0.105 (180deg=0.0247) USER MOD Single : A 48 LYS NZ :NH3+ -176:sc= 2.36 (180deg=2.21) USER MOD Single : A 50 SER OG : rot 57:sc= -0.0766 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 77:sc= 0.301 USER MOD Single : A 53 GLN : amide:sc= -0.0146 K(o=-0.015,f=-0.85) USER MOD Single : A 55 GLN : amide:sc= -0.0421 K(o=-0.042,f=-1.8!) USER MOD Single : A 59 MET CE :methyl -152:sc= 0 (180deg=-0.202) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -120:sc= 1.26 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 75 HIS : no HD1:sc= -0.838 K(o=-0.84,f=-7.1!) USER MOD Single : A 76 THR OG1 : rot 75:sc= 1.24 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -159:sc= 0 (180deg=-0.0588) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= -0.277 K(o=-0.28,f=-1.7!) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0735 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 13.597 -6.866 -0.561 1.00 10.00 N ATOM 2 CA TYR A 21 12.283 -6.293 -0.812 1.00 10.00 C ATOM 3 C TYR A 21 11.340 -6.595 0.346 1.00 10.00 C ATOM 4 O TYR A 21 11.196 -7.749 0.752 1.00 10.00 O ATOM 5 CB TYR A 21 11.693 -6.851 -2.111 1.00 10.00 C ATOM 6 CG TYR A 21 12.235 -6.208 -3.370 1.00 10.00 C ATOM 7 CD1 TYR A 21 11.380 -5.612 -4.287 1.00 10.00 C ATOM 8 CD2 TYR A 21 13.597 -6.205 -3.647 1.00 10.00 C ATOM 9 CE1 TYR A 21 11.866 -5.030 -5.444 1.00 10.00 C ATOM 10 CE2 TYR A 21 14.092 -5.624 -4.798 1.00 10.00 C ATOM 11 CZ TYR A 21 13.221 -5.039 -5.695 1.00 10.00 C ATOM 12 OH TYR A 21 13.712 -4.465 -6.848 1.00 10.00 O ATOM 0 HA TYR A 21 12.397 -5.213 -0.907 1.00 10.00 H new ATOM 0 HB2 TYR A 21 11.886 -7.923 -2.153 1.00 10.00 H new ATOM 0 HB3 TYR A 21 10.611 -6.723 -2.089 1.00 10.00 H new ATOM 0 HD1 TYR A 21 10.317 -5.603 -4.094 1.00 10.00 H new ATOM 0 HD2 TYR A 21 14.281 -6.665 -2.949 1.00 10.00 H new ATOM 0 HE1 TYR A 21 11.187 -4.571 -6.147 1.00 10.00 H new ATOM 0 HE2 TYR A 21 15.154 -5.627 -4.995 1.00 10.00 H new ATOM 0 HH TYR A 21 13.219 -3.639 -7.038 1.00 10.00 H new ATOM 22 N ILE A 22 10.710 -5.558 0.879 1.00 10.00 N ATOM 23 CA ILE A 22 9.778 -5.726 1.977 1.00 10.00 C ATOM 24 C ILE A 22 8.424 -6.153 1.428 1.00 10.00 C ATOM 25 O ILE A 22 7.784 -5.413 0.679 1.00 10.00 O ATOM 26 CB ILE A 22 9.617 -4.429 2.798 1.00 10.00 C ATOM 27 CG1 ILE A 22 10.981 -3.915 3.282 1.00 10.00 C ATOM 28 CG2 ILE A 22 8.683 -4.660 3.979 1.00 10.00 C ATOM 29 CD1 ILE A 22 11.715 -4.881 4.190 1.00 10.00 C ATOM 0 H ILE A 22 10.829 -4.594 0.567 1.00 10.00 H new ATOM 0 HA ILE A 22 10.176 -6.493 2.642 1.00 10.00 H new ATOM 0 HB ILE A 22 9.178 -3.669 2.152 1.00 10.00 H new ATOM 0 HG12 ILE A 22 11.606 -3.701 2.415 1.00 10.00 H new ATOM 0 HG13 ILE A 22 10.836 -2.973 3.811 1.00 10.00 H new ATOM 0 HG21 ILE A 22 8.580 -3.736 4.548 1.00 10.00 H new ATOM 0 HG22 ILE A 22 7.705 -4.972 3.614 1.00 10.00 H new ATOM 0 HG23 ILE A 22 9.095 -5.438 4.622 1.00 10.00 H new ATOM 0 HD11 ILE A 22 12.669 -4.446 4.489 1.00 10.00 H new ATOM 0 HD12 ILE A 22 11.112 -5.077 5.076 1.00 10.00 H new ATOM 0 HD13 ILE A 22 11.893 -5.816 3.659 1.00 10.00 H new ATOM 41 N LYS A 23 8.003 -7.353 1.783 1.00 10.00 N ATOM 42 CA LYS A 23 6.739 -7.885 1.310 1.00 10.00 C ATOM 43 C LYS A 23 5.636 -7.661 2.336 1.00 10.00 C ATOM 44 O LYS A 23 5.614 -8.288 3.396 1.00 10.00 O ATOM 45 CB LYS A 23 6.883 -9.374 1.000 1.00 10.00 C ATOM 46 CG LYS A 23 5.672 -9.983 0.311 1.00 10.00 C ATOM 47 CD LYS A 23 5.850 -11.476 0.083 1.00 10.00 C ATOM 48 CE LYS A 23 5.314 -12.294 1.250 1.00 10.00 C ATOM 49 NZ LYS A 23 6.278 -12.378 2.386 1.00 10.00 N ATOM 0 H LYS A 23 8.520 -7.979 2.400 1.00 10.00 H new ATOM 0 HA LYS A 23 6.463 -7.357 0.397 1.00 10.00 H new ATOM 0 HB2 LYS A 23 7.759 -9.520 0.368 1.00 10.00 H new ATOM 0 HB3 LYS A 23 7.068 -9.912 1.930 1.00 10.00 H new ATOM 0 HG2 LYS A 23 4.783 -9.810 0.917 1.00 10.00 H new ATOM 0 HG3 LYS A 23 5.508 -9.485 -0.645 1.00 10.00 H new ATOM 0 HD2 LYS A 23 5.335 -11.768 -0.832 1.00 10.00 H new ATOM 0 HD3 LYS A 23 6.907 -11.698 -0.061 1.00 10.00 H new ATOM 0 HE2 LYS A 23 4.382 -11.850 1.602 1.00 10.00 H new ATOM 0 HE3 LYS A 23 5.077 -13.300 0.905 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 6.675 -13.338 2.435 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 7.047 -11.693 2.240 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 5.785 -12.162 3.276 1.00 10.00 H new ATOM 63 N LEU A 24 4.731 -6.755 2.015 1.00 10.00 N ATOM 64 CA LEU A 24 3.609 -6.443 2.882 1.00 10.00 C ATOM 65 C LEU A 24 2.378 -7.193 2.407 1.00 10.00 C ATOM 66 O LEU A 24 2.348 -7.696 1.281 1.00 10.00 O ATOM 67 CB LEU A 24 3.322 -4.940 2.876 1.00 10.00 C ATOM 68 CG LEU A 24 4.522 -4.039 3.165 1.00 10.00 C ATOM 69 CD1 LEU A 24 4.187 -2.600 2.818 1.00 10.00 C ATOM 70 CD2 LEU A 24 4.942 -4.154 4.622 1.00 10.00 C ATOM 0 H LEU A 24 4.752 -6.216 1.149 1.00 10.00 H new ATOM 0 HA LEU A 24 3.860 -6.747 3.898 1.00 10.00 H new ATOM 0 HB2 LEU A 24 2.913 -4.670 1.902 1.00 10.00 H new ATOM 0 HB3 LEU A 24 2.548 -4.733 3.615 1.00 10.00 H new ATOM 0 HG LEU A 24 5.358 -4.363 2.546 1.00 10.00 H new ATOM 0 HD11 LEU A 24 5.048 -1.965 3.027 1.00 10.00 H new ATOM 0 HD12 LEU A 24 3.933 -2.530 1.760 1.00 10.00 H new ATOM 0 HD13 LEU A 24 3.338 -2.269 3.417 1.00 10.00 H new ATOM 0 HD21 LEU A 24 5.798 -3.505 4.806 1.00 10.00 H new ATOM 0 HD22 LEU A 24 4.114 -3.854 5.264 1.00 10.00 H new ATOM 0 HD23 LEU A 24 5.216 -5.186 4.841 1.00 10.00 H new ATOM 82 N LYS A 25 1.365 -7.267 3.249 1.00 10.00 N ATOM 83 CA LYS A 25 0.144 -7.956 2.884 1.00 10.00 C ATOM 84 C LYS A 25 -1.056 -7.037 3.027 1.00 10.00 C ATOM 85 O LYS A 25 -1.416 -6.628 4.133 1.00 10.00 O ATOM 86 CB LYS A 25 -0.046 -9.208 3.737 1.00 10.00 C ATOM 87 CG LYS A 25 0.917 -10.329 3.383 1.00 10.00 C ATOM 88 CD LYS A 25 0.604 -11.597 4.154 1.00 10.00 C ATOM 89 CE LYS A 25 -0.740 -12.181 3.750 1.00 10.00 C ATOM 90 NZ LYS A 25 -1.062 -13.404 4.523 1.00 10.00 N ATOM 0 H LYS A 25 1.363 -6.861 4.185 1.00 10.00 H new ATOM 0 HA LYS A 25 0.227 -8.257 1.840 1.00 10.00 H new ATOM 0 HB2 LYS A 25 0.082 -8.946 4.787 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -1.069 -9.567 3.621 1.00 10.00 H new ATOM 0 HG2 LYS A 25 0.864 -10.531 2.313 1.00 10.00 H new ATOM 0 HG3 LYS A 25 1.938 -10.014 3.598 1.00 10.00 H new ATOM 0 HD2 LYS A 25 1.389 -12.333 3.979 1.00 10.00 H new ATOM 0 HD3 LYS A 25 0.602 -11.382 5.223 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -1.521 -11.437 3.905 1.00 10.00 H new ATOM 0 HE3 LYS A 25 -0.729 -12.416 2.686 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 -1.795 -13.947 4.024 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 -0.207 -13.987 4.622 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 -1.410 -13.137 5.466 1.00 10.00 H new ATOM 104 N VAL A 26 -1.658 -6.701 1.899 1.00 10.00 N ATOM 105 CA VAL A 26 -2.827 -5.842 1.888 1.00 10.00 C ATOM 106 C VAL A 26 -4.077 -6.698 1.985 1.00 10.00 C ATOM 107 O VAL A 26 -4.340 -7.525 1.110 1.00 10.00 O ATOM 108 CB VAL A 26 -2.894 -4.973 0.613 1.00 10.00 C ATOM 109 CG1 VAL A 26 -3.965 -3.902 0.752 1.00 10.00 C ATOM 110 CG2 VAL A 26 -1.540 -4.345 0.311 1.00 10.00 C ATOM 0 H VAL A 26 -1.354 -7.012 0.976 1.00 10.00 H new ATOM 0 HA VAL A 26 -2.758 -5.169 2.743 1.00 10.00 H new ATOM 0 HB VAL A 26 -3.160 -5.618 -0.224 1.00 10.00 H new ATOM 0 HG11 VAL A 26 -3.997 -3.300 -0.156 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -4.934 -4.375 0.908 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -3.732 -3.263 1.603 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.614 -3.738 -0.591 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.236 -3.716 1.148 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -0.800 -5.131 0.160 1.00 10.00 H new ATOM 120 N ILE A 27 -4.824 -6.518 3.060 1.00 10.00 N ATOM 121 CA ILE A 27 -6.037 -7.288 3.274 1.00 10.00 C ATOM 122 C ILE A 27 -7.230 -6.605 2.620 1.00 10.00 C ATOM 123 O ILE A 27 -7.620 -5.503 3.013 1.00 10.00 O ATOM 124 CB ILE A 27 -6.324 -7.492 4.780 1.00 10.00 C ATOM 125 CG1 ILE A 27 -5.076 -8.016 5.506 1.00 10.00 C ATOM 126 CG2 ILE A 27 -7.498 -8.444 4.977 1.00 10.00 C ATOM 127 CD1 ILE A 27 -4.530 -9.313 4.944 1.00 10.00 C ATOM 0 H ILE A 27 -4.612 -5.846 3.798 1.00 10.00 H new ATOM 0 HA ILE A 27 -5.882 -8.265 2.816 1.00 10.00 H new ATOM 0 HB ILE A 27 -6.588 -6.526 5.211 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -4.296 -7.256 5.459 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -5.316 -8.162 6.559 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -7.685 -8.575 6.043 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -8.387 -8.029 4.501 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -7.263 -9.409 4.528 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -3.650 -9.614 5.512 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -5.291 -10.090 5.016 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -4.255 -9.170 3.899 1.00 10.00 H new ATOM 139 N GLY A 28 -7.790 -7.256 1.612 1.00 10.00 N ATOM 140 CA GLY A 28 -8.938 -6.705 0.921 1.00 10.00 C ATOM 141 C GLY A 28 -10.234 -7.007 1.646 1.00 10.00 C ATOM 142 O GLY A 28 -10.285 -7.915 2.482 1.00 10.00 O ATOM 0 H GLY A 28 -7.470 -8.158 1.259 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -8.820 -5.626 0.824 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -8.984 -7.113 -0.089 1.00 10.00 H new ATOM 146 N GLN A 29 -11.282 -6.261 1.317 1.00 10.00 N ATOM 147 CA GLN A 29 -12.590 -6.439 1.944 1.00 10.00 C ATOM 148 C GLN A 29 -13.141 -7.842 1.681 1.00 10.00 C ATOM 149 O GLN A 29 -13.896 -8.382 2.490 1.00 10.00 O ATOM 150 CB GLN A 29 -13.575 -5.382 1.427 1.00 10.00 C ATOM 151 CG GLN A 29 -14.950 -5.446 2.079 1.00 10.00 C ATOM 152 CD GLN A 29 -14.937 -5.004 3.530 1.00 10.00 C ATOM 153 OE1 GLN A 29 -15.177 -3.836 3.840 1.00 10.00 O ATOM 154 NE2 GLN A 29 -14.661 -5.934 4.429 1.00 10.00 N ATOM 0 H GLN A 29 -11.252 -5.522 0.615 1.00 10.00 H new ATOM 0 HA GLN A 29 -12.467 -6.317 3.020 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -13.151 -4.392 1.594 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -13.689 -5.502 0.350 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -15.642 -4.817 1.519 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -15.328 -6.467 2.019 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -14.468 -6.890 4.131 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -14.641 -5.695 5.420 1.00 10.00 H new ATOM 163 N ASP A 30 -12.748 -8.432 0.559 1.00 10.00 N ATOM 164 CA ASP A 30 -13.205 -9.771 0.191 1.00 10.00 C ATOM 165 C ASP A 30 -12.215 -10.836 0.656 1.00 10.00 C ATOM 166 O ASP A 30 -12.167 -11.937 0.104 1.00 10.00 O ATOM 167 CB ASP A 30 -13.414 -9.874 -1.327 1.00 10.00 C ATOM 168 CG ASP A 30 -12.123 -9.719 -2.108 1.00 10.00 C ATOM 169 OD1 ASP A 30 -11.476 -8.659 -1.987 1.00 10.00 O ATOM 170 OD2 ASP A 30 -11.754 -10.653 -2.852 1.00 10.00 O ATOM 0 H ASP A 30 -12.112 -8.005 -0.115 1.00 10.00 H new ATOM 0 HA ASP A 30 -14.158 -9.946 0.690 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -13.863 -10.839 -1.563 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -14.120 -9.107 -1.645 1.00 10.00 H new ATOM 175 N SER A 31 -11.432 -10.498 1.679 1.00 10.00 N ATOM 176 CA SER A 31 -10.436 -11.405 2.249 1.00 10.00 C ATOM 177 C SER A 31 -9.345 -11.737 1.232 1.00 10.00 C ATOM 178 O SER A 31 -8.786 -12.833 1.236 1.00 10.00 O ATOM 179 CB SER A 31 -11.105 -12.688 2.756 1.00 10.00 C ATOM 180 OG SER A 31 -12.325 -12.395 3.421 1.00 10.00 O ATOM 0 H SER A 31 -11.470 -9.587 2.137 1.00 10.00 H new ATOM 0 HA SER A 31 -9.966 -10.900 3.093 1.00 10.00 H new ATOM 0 HB2 SER A 31 -11.295 -13.359 1.918 1.00 10.00 H new ATOM 0 HB3 SER A 31 -10.432 -13.210 3.436 1.00 10.00 H new ATOM 0 HG SER A 31 -12.735 -13.228 3.734 1.00 10.00 H new ATOM 186 N SER A 32 -9.053 -10.785 0.362 1.00 10.00 N ATOM 187 CA SER A 32 -8.027 -10.966 -0.648 1.00 10.00 C ATOM 188 C SER A 32 -6.652 -10.724 -0.039 1.00 10.00 C ATOM 189 O SER A 32 -6.431 -9.715 0.634 1.00 10.00 O ATOM 190 CB SER A 32 -8.274 -10.003 -1.807 1.00 10.00 C ATOM 191 OG SER A 32 -8.990 -8.861 -1.366 1.00 10.00 O ATOM 0 H SER A 32 -9.515 -9.876 0.336 1.00 10.00 H new ATOM 0 HA SER A 32 -8.065 -11.988 -1.025 1.00 10.00 H new ATOM 0 HB2 SER A 32 -7.322 -9.696 -2.241 1.00 10.00 H new ATOM 0 HB3 SER A 32 -8.835 -10.509 -2.593 1.00 10.00 H new ATOM 0 HG SER A 32 -9.776 -8.728 -1.936 1.00 10.00 H new ATOM 197 N GLU A 33 -5.742 -11.659 -0.253 1.00 10.00 N ATOM 198 CA GLU A 33 -4.394 -11.540 0.271 1.00 10.00 C ATOM 199 C GLU A 33 -3.463 -11.026 -0.819 1.00 10.00 C ATOM 200 O GLU A 33 -2.929 -11.804 -1.611 1.00 10.00 O ATOM 201 CB GLU A 33 -3.906 -12.894 0.787 1.00 10.00 C ATOM 202 CG GLU A 33 -4.846 -13.546 1.791 1.00 10.00 C ATOM 203 CD GLU A 33 -4.342 -13.434 3.213 1.00 10.00 C ATOM 204 OE1 GLU A 33 -4.897 -12.632 3.988 1.00 10.00 O ATOM 205 OE2 GLU A 33 -3.378 -14.149 3.562 1.00 10.00 O ATOM 0 H GLU A 33 -5.914 -12.511 -0.787 1.00 10.00 H new ATOM 0 HA GLU A 33 -4.396 -10.833 1.101 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -3.771 -13.567 -0.060 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -2.928 -12.764 1.251 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -5.829 -13.080 1.719 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -4.973 -14.598 1.535 1.00 10.00 H new ATOM 212 N ILE A 34 -3.296 -9.714 -0.875 1.00 10.00 N ATOM 213 CA ILE A 34 -2.437 -9.104 -1.878 1.00 10.00 C ATOM 214 C ILE A 34 -1.015 -8.947 -1.349 1.00 10.00 C ATOM 215 O ILE A 34 -0.785 -8.247 -0.360 1.00 10.00 O ATOM 216 CB ILE A 34 -2.971 -7.721 -2.320 1.00 10.00 C ATOM 217 CG1 ILE A 34 -4.476 -7.788 -2.617 1.00 10.00 C ATOM 218 CG2 ILE A 34 -2.206 -7.219 -3.539 1.00 10.00 C ATOM 219 CD1 ILE A 34 -4.847 -8.735 -3.741 1.00 10.00 C ATOM 0 H ILE A 34 -3.742 -9.053 -0.240 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.433 -9.769 -2.742 1.00 10.00 H new ATOM 0 HB ILE A 34 -2.817 -7.018 -1.502 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -5.000 -8.094 -1.712 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -4.830 -6.788 -2.868 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -2.594 -6.245 -3.837 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -1.148 -7.128 -3.293 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -2.328 -7.925 -4.361 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -5.927 -8.722 -3.886 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -4.354 -8.419 -4.660 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -4.527 -9.745 -3.486 1.00 10.00 H new ATOM 231 N HIS A 35 -0.070 -9.605 -2.006 1.00 10.00 N ATOM 232 CA HIS A 35 1.330 -9.539 -1.611 1.00 10.00 C ATOM 233 C HIS A 35 2.006 -8.366 -2.305 1.00 10.00 C ATOM 234 O HIS A 35 2.352 -8.439 -3.486 1.00 10.00 O ATOM 235 CB HIS A 35 2.064 -10.844 -1.952 1.00 10.00 C ATOM 236 CG HIS A 35 1.382 -12.080 -1.445 1.00 10.00 C ATOM 237 ND1 HIS A 35 1.113 -13.143 -2.277 1.00 10.00 N ATOM 238 CD2 HIS A 35 0.930 -12.370 -0.198 1.00 10.00 C ATOM 239 CE1 HIS A 35 0.510 -14.048 -1.523 1.00 10.00 C ATOM 240 NE2 HIS A 35 0.378 -13.623 -0.262 1.00 10.00 N ATOM 0 H HIS A 35 -0.249 -10.194 -2.819 1.00 10.00 H new ATOM 0 HA HIS A 35 1.374 -9.398 -0.531 1.00 10.00 H new ATOM 0 HB2 HIS A 35 2.168 -10.918 -3.034 1.00 10.00 H new ATOM 0 HB3 HIS A 35 3.071 -10.801 -1.537 1.00 10.00 H new ATOM 0 HD1 HIS A 35 1.333 -13.218 -3.270 1.00 10.00 H new ATOM 0 HD2 HIS A 35 0.993 -11.737 0.675 1.00 10.00 H new ATOM 0 HE1 HIS A 35 0.168 -15.008 -1.881 1.00 10.00 H new ATOM 248 N PHE A 36 2.179 -7.283 -1.572 1.00 10.00 N ATOM 249 CA PHE A 36 2.795 -6.084 -2.110 1.00 10.00 C ATOM 250 C PHE A 36 4.250 -5.997 -1.659 1.00 10.00 C ATOM 251 O PHE A 36 4.532 -5.772 -0.484 1.00 10.00 O ATOM 252 CB PHE A 36 2.012 -4.853 -1.645 1.00 10.00 C ATOM 253 CG PHE A 36 1.851 -3.794 -2.695 1.00 10.00 C ATOM 254 CD1 PHE A 36 2.956 -3.219 -3.293 1.00 10.00 C ATOM 255 CD2 PHE A 36 0.588 -3.368 -3.077 1.00 10.00 C ATOM 256 CE1 PHE A 36 2.806 -2.240 -4.252 1.00 10.00 C ATOM 257 CE2 PHE A 36 0.433 -2.390 -4.038 1.00 10.00 C ATOM 258 CZ PHE A 36 1.544 -1.824 -4.626 1.00 10.00 C ATOM 0 H PHE A 36 1.899 -7.209 -0.594 1.00 10.00 H new ATOM 0 HA PHE A 36 2.775 -6.123 -3.199 1.00 10.00 H new ATOM 0 HB2 PHE A 36 1.024 -5.170 -1.310 1.00 10.00 H new ATOM 0 HB3 PHE A 36 2.517 -4.419 -0.782 1.00 10.00 H new ATOM 0 HD1 PHE A 36 3.947 -3.540 -3.006 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -0.285 -3.807 -2.617 1.00 10.00 H new ATOM 0 HE1 PHE A 36 3.678 -1.798 -4.712 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -0.556 -2.069 -4.329 1.00 10.00 H new ATOM 0 HZ PHE A 36 1.427 -1.057 -5.377 1.00 10.00 H new ATOM 268 N LYS A 37 5.170 -6.188 -2.591 1.00 10.00 N ATOM 269 CA LYS A 37 6.591 -6.142 -2.274 1.00 10.00 C ATOM 270 C LYS A 37 7.209 -4.837 -2.765 1.00 10.00 C ATOM 271 O LYS A 37 7.101 -4.486 -3.943 1.00 10.00 O ATOM 272 CB LYS A 37 7.317 -7.351 -2.877 1.00 10.00 C ATOM 273 CG LYS A 37 7.033 -7.570 -4.355 1.00 10.00 C ATOM 274 CD LYS A 37 7.562 -8.912 -4.843 1.00 10.00 C ATOM 275 CE LYS A 37 9.050 -9.065 -4.571 1.00 10.00 C ATOM 276 NZ LYS A 37 9.629 -10.215 -5.309 1.00 10.00 N ATOM 0 H LYS A 37 4.960 -6.376 -3.571 1.00 10.00 H new ATOM 0 HA LYS A 37 6.704 -6.184 -1.191 1.00 10.00 H new ATOM 0 HB2 LYS A 37 8.391 -7.223 -2.739 1.00 10.00 H new ATOM 0 HB3 LYS A 37 7.029 -8.246 -2.326 1.00 10.00 H new ATOM 0 HG2 LYS A 37 5.958 -7.518 -4.530 1.00 10.00 H new ATOM 0 HG3 LYS A 37 7.489 -6.768 -4.935 1.00 10.00 H new ATOM 0 HD2 LYS A 37 7.018 -9.718 -4.351 1.00 10.00 H new ATOM 0 HD3 LYS A 37 7.376 -9.009 -5.913 1.00 10.00 H new ATOM 0 HE2 LYS A 37 9.568 -8.150 -4.859 1.00 10.00 H new ATOM 0 HE3 LYS A 37 9.212 -9.200 -3.502 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 10.645 -10.287 -5.098 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 9.152 -11.091 -5.016 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 9.497 -10.074 -6.331 1.00 10.00 H new ATOM 290 N VAL A 38 7.845 -4.114 -1.853 1.00 10.00 N ATOM 291 CA VAL A 38 8.466 -2.838 -2.185 1.00 10.00 C ATOM 292 C VAL A 38 9.903 -2.772 -1.676 1.00 10.00 C ATOM 293 O VAL A 38 10.203 -3.236 -0.575 1.00 10.00 O ATOM 294 CB VAL A 38 7.686 -1.646 -1.582 1.00 10.00 C ATOM 295 CG1 VAL A 38 7.779 -0.440 -2.494 1.00 10.00 C ATOM 296 CG2 VAL A 38 6.229 -2.006 -1.314 1.00 10.00 C ATOM 0 H VAL A 38 7.945 -4.390 -0.876 1.00 10.00 H new ATOM 0 HA VAL A 38 8.453 -2.767 -3.273 1.00 10.00 H new ATOM 0 HB VAL A 38 8.144 -1.399 -0.624 1.00 10.00 H new ATOM 0 HG11 VAL A 38 7.225 0.391 -2.056 1.00 10.00 H new ATOM 0 HG12 VAL A 38 8.824 -0.155 -2.616 1.00 10.00 H new ATOM 0 HG13 VAL A 38 7.355 -0.686 -3.467 1.00 10.00 H new ATOM 0 HG21 VAL A 38 5.713 -1.144 -0.891 1.00 10.00 H new ATOM 0 HG22 VAL A 38 5.748 -2.294 -2.249 1.00 10.00 H new ATOM 0 HG23 VAL A 38 6.183 -2.838 -0.611 1.00 10.00 H new ATOM 306 N LYS A 39 10.787 -2.206 -2.487 1.00 10.00 N ATOM 307 CA LYS A 39 12.188 -2.055 -2.118 1.00 10.00 C ATOM 308 C LYS A 39 12.390 -0.719 -1.408 1.00 10.00 C ATOM 309 O LYS A 39 11.779 0.284 -1.784 1.00 10.00 O ATOM 310 CB LYS A 39 13.066 -2.115 -3.370 1.00 10.00 C ATOM 311 CG LYS A 39 14.560 -1.999 -3.100 1.00 10.00 C ATOM 312 CD LYS A 39 15.334 -1.728 -4.383 1.00 10.00 C ATOM 313 CE LYS A 39 15.226 -0.271 -4.806 1.00 10.00 C ATOM 314 NZ LYS A 39 15.526 -0.083 -6.249 1.00 10.00 N ATOM 0 H LYS A 39 10.556 -1.842 -3.411 1.00 10.00 H new ATOM 0 HA LYS A 39 12.471 -2.866 -1.447 1.00 10.00 H new ATOM 0 HB2 LYS A 39 12.875 -3.055 -3.887 1.00 10.00 H new ATOM 0 HB3 LYS A 39 12.768 -1.313 -4.046 1.00 10.00 H new ATOM 0 HG2 LYS A 39 14.742 -1.195 -2.386 1.00 10.00 H new ATOM 0 HG3 LYS A 39 14.922 -2.920 -2.642 1.00 10.00 H new ATOM 0 HD2 LYS A 39 16.382 -1.988 -4.238 1.00 10.00 H new ATOM 0 HD3 LYS A 39 14.954 -2.368 -5.180 1.00 10.00 H new ATOM 0 HE2 LYS A 39 14.221 0.093 -4.595 1.00 10.00 H new ATOM 0 HE3 LYS A 39 15.914 0.330 -4.212 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 16.360 0.530 -6.353 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 15.719 -1.007 -6.687 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 14.710 0.359 -6.718 1.00 10.00 H new ATOM 328 N MET A 40 13.232 -0.708 -0.380 1.00 10.00 N ATOM 329 CA MET A 40 13.511 0.515 0.368 1.00 10.00 C ATOM 330 C MET A 40 14.292 1.497 -0.501 1.00 10.00 C ATOM 331 O MET A 40 15.519 1.430 -0.589 1.00 10.00 O ATOM 332 CB MET A 40 14.292 0.201 1.646 1.00 10.00 C ATOM 333 CG MET A 40 14.416 1.386 2.593 1.00 10.00 C ATOM 334 SD MET A 40 12.822 1.940 3.238 1.00 10.00 S ATOM 335 CE MET A 40 12.275 0.470 4.103 1.00 10.00 C ATOM 0 H MET A 40 13.733 -1.531 -0.045 1.00 10.00 H new ATOM 0 HA MET A 40 12.562 0.971 0.649 1.00 10.00 H new ATOM 0 HB2 MET A 40 13.802 -0.621 2.168 1.00 10.00 H new ATOM 0 HB3 MET A 40 15.290 -0.143 1.376 1.00 10.00 H new ATOM 0 HG2 MET A 40 15.064 1.113 3.426 1.00 10.00 H new ATOM 0 HG3 MET A 40 14.898 2.213 2.071 1.00 10.00 H new ATOM 0 HE1 MET A 40 11.753 0.758 5.015 1.00 10.00 H new ATOM 0 HE2 MET A 40 11.601 -0.099 3.463 1.00 10.00 H new ATOM 0 HE3 MET A 40 13.138 -0.145 4.358 1.00 10.00 H new ATOM 345 N THR A 41 13.553 2.387 -1.151 1.00 10.00 N ATOM 346 CA THR A 41 14.104 3.398 -2.046 1.00 10.00 C ATOM 347 C THR A 41 12.960 4.154 -2.698 1.00 10.00 C ATOM 348 O THR A 41 12.950 5.388 -2.766 1.00 10.00 O ATOM 349 CB THR A 41 14.975 2.759 -3.159 1.00 10.00 C ATOM 350 OG1 THR A 41 16.340 2.677 -2.734 1.00 10.00 O ATOM 351 CG2 THR A 41 14.888 3.539 -4.471 1.00 10.00 C ATOM 0 H THR A 41 12.537 2.428 -1.070 1.00 10.00 H new ATOM 0 HA THR A 41 14.732 4.067 -1.458 1.00 10.00 H new ATOM 0 HB THR A 41 14.587 1.757 -3.340 1.00 10.00 H new ATOM 0 HG1 THR A 41 16.380 2.290 -1.835 1.00 10.00 H new ATOM 0 HG21 THR A 41 15.513 3.057 -5.223 1.00 10.00 H new ATOM 0 HG22 THR A 41 13.854 3.557 -4.816 1.00 10.00 H new ATOM 0 HG23 THR A 41 15.235 4.560 -4.311 1.00 10.00 H new ATOM 359 N THR A 42 11.989 3.379 -3.154 1.00 10.00 N ATOM 360 CA THR A 42 10.826 3.907 -3.832 1.00 10.00 C ATOM 361 C THR A 42 10.034 4.821 -2.904 1.00 10.00 C ATOM 362 O THR A 42 9.908 4.548 -1.709 1.00 10.00 O ATOM 363 CB THR A 42 9.920 2.750 -4.309 1.00 10.00 C ATOM 364 OG1 THR A 42 9.142 2.252 -3.219 1.00 10.00 O ATOM 365 CG2 THR A 42 10.751 1.607 -4.878 1.00 10.00 C ATOM 0 H THR A 42 11.990 2.363 -3.062 1.00 10.00 H new ATOM 0 HA THR A 42 11.164 4.483 -4.693 1.00 10.00 H new ATOM 0 HB THR A 42 9.265 3.140 -5.088 1.00 10.00 H new ATOM 0 HG1 THR A 42 9.739 1.921 -2.515 1.00 10.00 H new ATOM 0 HG21 THR A 42 10.090 0.805 -5.207 1.00 10.00 H new ATOM 0 HG22 THR A 42 11.333 1.968 -5.726 1.00 10.00 H new ATOM 0 HG23 THR A 42 11.425 1.229 -4.109 1.00 10.00 H new ATOM 373 N HIS A 43 9.524 5.915 -3.435 1.00 10.00 N ATOM 374 CA HIS A 43 8.732 6.827 -2.630 1.00 10.00 C ATOM 375 C HIS A 43 7.293 6.317 -2.611 1.00 10.00 C ATOM 376 O HIS A 43 6.765 5.903 -3.646 1.00 10.00 O ATOM 377 CB HIS A 43 8.815 8.277 -3.154 1.00 10.00 C ATOM 378 CG HIS A 43 9.733 8.480 -4.332 1.00 10.00 C ATOM 379 ND1 HIS A 43 9.226 8.736 -5.584 1.00 10.00 N ATOM 380 CD2 HIS A 43 11.098 8.461 -4.406 1.00 10.00 C ATOM 381 CE1 HIS A 43 10.270 8.866 -6.380 1.00 10.00 C ATOM 382 NE2 HIS A 43 11.416 8.708 -5.713 1.00 10.00 N ATOM 0 H HIS A 43 9.641 6.193 -4.409 1.00 10.00 H new ATOM 0 HA HIS A 43 9.127 6.854 -1.615 1.00 10.00 H new ATOM 0 HB2 HIS A 43 7.813 8.604 -3.433 1.00 10.00 H new ATOM 0 HB3 HIS A 43 9.145 8.923 -2.340 1.00 10.00 H new ATOM 0 HD1 HIS A 43 8.243 8.810 -5.844 1.00 10.00 H new ATOM 0 HD2 HIS A 43 11.788 8.286 -3.594 1.00 10.00 H new ATOM 0 HE1 HIS A 43 10.206 9.074 -7.438 1.00 10.00 H new ATOM 390 N LEU A 44 6.664 6.346 -1.437 1.00 10.00 N ATOM 391 CA LEU A 44 5.298 5.835 -1.264 1.00 10.00 C ATOM 392 C LEU A 44 4.249 6.577 -2.096 1.00 10.00 C ATOM 393 O LEU A 44 3.076 6.199 -2.087 1.00 10.00 O ATOM 394 CB LEU A 44 4.897 5.864 0.211 1.00 10.00 C ATOM 395 CG LEU A 44 5.570 4.811 1.098 1.00 10.00 C ATOM 396 CD1 LEU A 44 4.838 4.691 2.423 1.00 10.00 C ATOM 397 CD2 LEU A 44 5.618 3.462 0.397 1.00 10.00 C ATOM 0 H LEU A 44 7.079 6.720 -0.584 1.00 10.00 H new ATOM 0 HA LEU A 44 5.319 4.808 -1.630 1.00 10.00 H new ATOM 0 HB2 LEU A 44 5.125 6.851 0.612 1.00 10.00 H new ATOM 0 HB3 LEU A 44 3.817 5.734 0.279 1.00 10.00 H new ATOM 0 HG LEU A 44 6.594 5.132 1.290 1.00 10.00 H new ATOM 0 HD11 LEU A 44 5.327 3.939 3.042 1.00 10.00 H new ATOM 0 HD12 LEU A 44 4.856 5.652 2.937 1.00 10.00 H new ATOM 0 HD13 LEU A 44 3.805 4.395 2.242 1.00 10.00 H new ATOM 0 HD21 LEU A 44 6.100 2.731 1.047 1.00 10.00 H new ATOM 0 HD22 LEU A 44 4.604 3.133 0.171 1.00 10.00 H new ATOM 0 HD23 LEU A 44 6.185 3.553 -0.530 1.00 10.00 H new ATOM 409 N LYS A 45 4.660 7.614 -2.810 1.00 10.00 N ATOM 410 CA LYS A 45 3.739 8.376 -3.646 1.00 10.00 C ATOM 411 C LYS A 45 3.152 7.488 -4.744 1.00 10.00 C ATOM 412 O LYS A 45 1.930 7.395 -4.901 1.00 10.00 O ATOM 413 CB LYS A 45 4.456 9.575 -4.267 1.00 10.00 C ATOM 414 CG LYS A 45 3.553 10.455 -5.119 1.00 10.00 C ATOM 415 CD LYS A 45 2.477 11.130 -4.286 1.00 10.00 C ATOM 416 CE LYS A 45 1.729 12.180 -5.090 1.00 10.00 C ATOM 417 NZ LYS A 45 0.810 12.979 -4.239 1.00 10.00 N ATOM 0 H LYS A 45 5.623 7.948 -2.829 1.00 10.00 H new ATOM 0 HA LYS A 45 2.924 8.739 -3.019 1.00 10.00 H new ATOM 0 HB2 LYS A 45 4.891 10.179 -3.471 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.282 9.215 -4.881 1.00 10.00 H new ATOM 0 HG2 LYS A 45 4.153 11.213 -5.622 1.00 10.00 H new ATOM 0 HG3 LYS A 45 3.086 9.851 -5.897 1.00 10.00 H new ATOM 0 HD2 LYS A 45 1.774 10.381 -3.921 1.00 10.00 H new ATOM 0 HD3 LYS A 45 2.931 11.595 -3.411 1.00 10.00 H new ATOM 0 HE2 LYS A 45 2.445 12.844 -5.574 1.00 10.00 H new ATOM 0 HE3 LYS A 45 1.159 11.693 -5.882 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 0.435 13.778 -4.789 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 0.023 12.379 -3.919 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 1.328 13.340 -3.413 1.00 10.00 H new ATOM 431 N LYS A 46 4.030 6.812 -5.481 1.00 10.00 N ATOM 432 CA LYS A 46 3.606 5.934 -6.564 1.00 10.00 C ATOM 433 C LYS A 46 2.964 4.664 -6.015 1.00 10.00 C ATOM 434 O LYS A 46 2.201 3.992 -6.709 1.00 10.00 O ATOM 435 CB LYS A 46 4.797 5.581 -7.460 1.00 10.00 C ATOM 436 CG LYS A 46 4.420 4.783 -8.702 1.00 10.00 C ATOM 437 CD LYS A 46 5.646 4.428 -9.527 1.00 10.00 C ATOM 438 CE LYS A 46 5.959 5.518 -10.533 1.00 10.00 C ATOM 439 NZ LYS A 46 7.319 5.369 -11.103 1.00 10.00 N ATOM 0 H LYS A 46 5.040 6.857 -5.346 1.00 10.00 H new ATOM 0 HA LYS A 46 2.862 6.463 -7.159 1.00 10.00 H new ATOM 0 HB2 LYS A 46 5.293 6.502 -7.768 1.00 10.00 H new ATOM 0 HB3 LYS A 46 5.520 5.009 -6.878 1.00 10.00 H new ATOM 0 HG2 LYS A 46 3.902 3.871 -8.407 1.00 10.00 H new ATOM 0 HG3 LYS A 46 3.725 5.361 -9.311 1.00 10.00 H new ATOM 0 HD2 LYS A 46 6.502 4.280 -8.868 1.00 10.00 H new ATOM 0 HD3 LYS A 46 5.478 3.485 -10.048 1.00 10.00 H new ATOM 0 HE2 LYS A 46 5.223 5.492 -11.337 1.00 10.00 H new ATOM 0 HE3 LYS A 46 5.872 6.492 -10.052 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 7.395 5.935 -11.972 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 8.023 5.699 -10.412 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 7.495 4.368 -11.325 1.00 10.00 H new ATOM 453 N LEU A 47 3.265 4.343 -4.762 1.00 10.00 N ATOM 454 CA LEU A 47 2.711 3.151 -4.126 1.00 10.00 C ATOM 455 C LEU A 47 1.189 3.219 -4.091 1.00 10.00 C ATOM 456 O LEU A 47 0.503 2.219 -4.317 1.00 10.00 O ATOM 457 CB LEU A 47 3.255 2.989 -2.700 1.00 10.00 C ATOM 458 CG LEU A 47 4.437 2.026 -2.545 1.00 10.00 C ATOM 459 CD1 LEU A 47 4.074 0.646 -3.061 1.00 10.00 C ATOM 460 CD2 LEU A 47 5.669 2.564 -3.254 1.00 10.00 C ATOM 0 H LEU A 47 3.888 4.889 -4.167 1.00 10.00 H new ATOM 0 HA LEU A 47 3.014 2.287 -4.717 1.00 10.00 H new ATOM 0 HB2 LEU A 47 3.558 3.970 -2.333 1.00 10.00 H new ATOM 0 HB3 LEU A 47 2.444 2.646 -2.058 1.00 10.00 H new ATOM 0 HG LEU A 47 4.671 1.941 -1.484 1.00 10.00 H new ATOM 0 HD11 LEU A 47 4.926 -0.023 -2.942 1.00 10.00 H new ATOM 0 HD12 LEU A 47 3.227 0.258 -2.496 1.00 10.00 H new ATOM 0 HD13 LEU A 47 3.808 0.710 -4.116 1.00 10.00 H new ATOM 0 HD21 LEU A 47 6.495 1.864 -3.130 1.00 10.00 H new ATOM 0 HD22 LEU A 47 5.453 2.687 -4.315 1.00 10.00 H new ATOM 0 HD23 LEU A 47 5.943 3.528 -2.826 1.00 10.00 H new ATOM 472 N LYS A 48 0.666 4.410 -3.834 1.00 10.00 N ATOM 473 CA LYS A 48 -0.772 4.613 -3.767 1.00 10.00 C ATOM 474 C LYS A 48 -1.429 4.380 -5.123 1.00 10.00 C ATOM 475 O LYS A 48 -2.365 3.586 -5.238 1.00 10.00 O ATOM 476 CB LYS A 48 -1.091 6.023 -3.271 1.00 10.00 C ATOM 477 CG LYS A 48 -0.812 6.227 -1.793 1.00 10.00 C ATOM 478 CD LYS A 48 -1.471 7.495 -1.279 1.00 10.00 C ATOM 479 CE LYS A 48 -1.411 7.584 0.236 1.00 10.00 C ATOM 480 NZ LYS A 48 -2.232 8.709 0.753 1.00 10.00 N ATOM 0 H LYS A 48 1.219 5.251 -3.668 1.00 10.00 H new ATOM 0 HA LYS A 48 -1.175 3.886 -3.062 1.00 10.00 H new ATOM 0 HB2 LYS A 48 -0.506 6.742 -3.845 1.00 10.00 H new ATOM 0 HB3 LYS A 48 -2.141 6.239 -3.467 1.00 10.00 H new ATOM 0 HG2 LYS A 48 -1.179 5.369 -1.229 1.00 10.00 H new ATOM 0 HG3 LYS A 48 0.264 6.281 -1.627 1.00 10.00 H new ATOM 0 HD2 LYS A 48 -0.978 8.364 -1.715 1.00 10.00 H new ATOM 0 HD3 LYS A 48 -2.511 7.522 -1.604 1.00 10.00 H new ATOM 0 HE2 LYS A 48 -1.762 6.648 0.670 1.00 10.00 H new ATOM 0 HE3 LYS A 48 -0.376 7.713 0.552 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 -2.113 8.781 1.784 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 -1.925 9.597 0.307 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 -3.234 8.538 0.531 1.00 10.00 H new ATOM 494 N GLU A 49 -0.925 5.053 -6.154 1.00 10.00 N ATOM 495 CA GLU A 49 -1.489 4.918 -7.494 1.00 10.00 C ATOM 496 C GLU A 49 -1.289 3.504 -8.045 1.00 10.00 C ATOM 497 O GLU A 49 -2.103 3.020 -8.830 1.00 10.00 O ATOM 498 CB GLU A 49 -0.892 5.957 -8.450 1.00 10.00 C ATOM 499 CG GLU A 49 0.614 5.871 -8.599 1.00 10.00 C ATOM 500 CD GLU A 49 1.148 6.850 -9.620 1.00 10.00 C ATOM 501 OE1 GLU A 49 0.890 6.652 -10.828 1.00 10.00 O ATOM 502 OE2 GLU A 49 1.817 7.826 -9.225 1.00 10.00 O ATOM 0 H GLU A 49 -0.133 5.693 -6.089 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.561 5.100 -7.416 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -1.350 5.837 -9.432 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -1.154 6.954 -8.095 1.00 10.00 H new ATOM 0 HG2 GLU A 49 1.084 6.064 -7.634 1.00 10.00 H new ATOM 0 HG3 GLU A 49 0.890 4.858 -8.891 1.00 10.00 H new ATOM 509 N SER A 50 -0.218 2.842 -7.613 1.00 10.00 N ATOM 510 CA SER A 50 0.067 1.481 -8.060 1.00 10.00 C ATOM 511 C SER A 50 -1.076 0.543 -7.688 1.00 10.00 C ATOM 512 O SER A 50 -1.494 -0.288 -8.493 1.00 10.00 O ATOM 513 CB SER A 50 1.379 0.974 -7.458 1.00 10.00 C ATOM 514 OG SER A 50 2.489 1.670 -7.994 1.00 10.00 O ATOM 0 H SER A 50 0.464 3.224 -6.957 1.00 10.00 H new ATOM 0 HA SER A 50 0.167 1.498 -9.145 1.00 10.00 H new ATOM 0 HB2 SER A 50 1.357 1.097 -6.375 1.00 10.00 H new ATOM 0 HB3 SER A 50 1.485 -0.093 -7.656 1.00 10.00 H new ATOM 0 HG SER A 50 2.380 2.631 -7.835 1.00 10.00 H new ATOM 520 N TYR A 51 -1.587 0.689 -6.470 1.00 10.00 N ATOM 521 CA TYR A 51 -2.687 -0.147 -6.009 1.00 10.00 C ATOM 522 C TYR A 51 -3.994 0.286 -6.667 1.00 10.00 C ATOM 523 O TYR A 51 -4.863 -0.539 -6.941 1.00 10.00 O ATOM 524 CB TYR A 51 -2.814 -0.092 -4.486 1.00 10.00 C ATOM 525 CG TYR A 51 -3.691 -1.186 -3.912 1.00 10.00 C ATOM 526 CD1 TYR A 51 -3.360 -2.526 -4.072 1.00 10.00 C ATOM 527 CD2 TYR A 51 -4.851 -0.877 -3.213 1.00 10.00 C ATOM 528 CE1 TYR A 51 -4.157 -3.527 -3.549 1.00 10.00 C ATOM 529 CE2 TYR A 51 -5.655 -1.871 -2.687 1.00 10.00 C ATOM 530 CZ TYR A 51 -5.306 -3.195 -2.858 1.00 10.00 C ATOM 531 OH TYR A 51 -6.104 -4.189 -2.334 1.00 10.00 O ATOM 0 H TYR A 51 -1.259 1.374 -5.789 1.00 10.00 H new ATOM 0 HA TYR A 51 -2.475 -1.177 -6.295 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -1.820 -0.165 -4.044 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -3.221 0.877 -4.198 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -2.464 -2.790 -4.615 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -5.130 0.158 -3.078 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -3.883 -4.563 -3.680 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -6.552 -1.612 -2.145 1.00 10.00 H new ATOM 0 HH TYR A 51 -6.872 -3.786 -1.877 1.00 10.00 H new ATOM 541 N CYS A 52 -4.119 1.582 -6.932 1.00 10.00 N ATOM 542 CA CYS A 52 -5.315 2.116 -7.573 1.00 10.00 C ATOM 543 C CYS A 52 -5.462 1.540 -8.979 1.00 10.00 C ATOM 544 O CYS A 52 -6.543 1.093 -9.369 1.00 10.00 O ATOM 545 CB CYS A 52 -5.260 3.644 -7.625 1.00 10.00 C ATOM 546 SG CYS A 52 -5.072 4.428 -6.005 1.00 10.00 S ATOM 0 H CYS A 52 -3.409 2.281 -6.713 1.00 10.00 H new ATOM 0 HA CYS A 52 -6.184 1.824 -6.983 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -4.429 3.946 -8.262 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -6.172 4.015 -8.093 1.00 10.00 H new ATOM 0 HG CYS A 52 -3.837 4.324 -5.613 1.00 10.00 H new ATOM 552 N GLN A 53 -4.358 1.527 -9.725 1.00 10.00 N ATOM 553 CA GLN A 53 -4.349 0.992 -11.082 1.00 10.00 C ATOM 554 C GLN A 53 -4.492 -0.528 -11.057 1.00 10.00 C ATOM 555 O GLN A 53 -4.873 -1.148 -12.052 1.00 10.00 O ATOM 556 CB GLN A 53 -3.054 1.380 -11.797 1.00 10.00 C ATOM 557 CG GLN A 53 -2.988 2.843 -12.202 1.00 10.00 C ATOM 558 CD GLN A 53 -1.620 3.236 -12.720 1.00 10.00 C ATOM 559 OE1 GLN A 53 -0.600 2.721 -12.265 1.00 10.00 O ATOM 560 NE2 GLN A 53 -1.586 4.133 -13.691 1.00 10.00 N ATOM 0 H GLN A 53 -3.456 1.883 -9.409 1.00 10.00 H new ATOM 0 HA GLN A 53 -5.194 1.416 -11.624 1.00 10.00 H new ATOM 0 HB2 GLN A 53 -2.210 1.155 -11.145 1.00 10.00 H new ATOM 0 HB3 GLN A 53 -2.943 0.761 -12.688 1.00 10.00 H new ATOM 0 HG2 GLN A 53 -3.735 3.039 -12.971 1.00 10.00 H new ATOM 0 HG3 GLN A 53 -3.242 3.467 -11.345 1.00 10.00 H new ATOM 0 HE21 GLN A 53 -2.454 4.538 -14.042 1.00 10.00 H new ATOM 0 HE22 GLN A 53 -0.692 4.420 -14.089 1.00 10.00 H new ATOM 569 N ARG A 54 -4.172 -1.118 -9.915 1.00 10.00 N ATOM 570 CA ARG A 54 -4.267 -2.560 -9.734 1.00 10.00 C ATOM 571 C ARG A 54 -5.725 -2.981 -9.566 1.00 10.00 C ATOM 572 O ARG A 54 -6.157 -3.994 -10.116 1.00 10.00 O ATOM 573 CB ARG A 54 -3.439 -2.990 -8.516 1.00 10.00 C ATOM 574 CG ARG A 54 -3.741 -4.395 -8.016 1.00 10.00 C ATOM 575 CD ARG A 54 -3.137 -5.459 -8.914 1.00 10.00 C ATOM 576 NE ARG A 54 -3.681 -6.783 -8.617 1.00 10.00 N ATOM 577 CZ ARG A 54 -3.052 -7.927 -8.869 1.00 10.00 C ATOM 578 NH1 ARG A 54 -1.849 -7.922 -9.433 1.00 10.00 N ATOM 579 NH2 ARG A 54 -3.633 -9.083 -8.565 1.00 10.00 N ATOM 0 H ARG A 54 -3.841 -0.615 -9.092 1.00 10.00 H new ATOM 0 HA ARG A 54 -3.869 -3.054 -10.621 1.00 10.00 H new ATOM 0 HB2 ARG A 54 -2.381 -2.927 -8.771 1.00 10.00 H new ATOM 0 HB3 ARG A 54 -3.614 -2.283 -7.705 1.00 10.00 H new ATOM 0 HG2 ARG A 54 -3.353 -4.511 -7.004 1.00 10.00 H new ATOM 0 HG3 ARG A 54 -4.820 -4.536 -7.961 1.00 10.00 H new ATOM 0 HD2 ARG A 54 -3.332 -5.210 -9.957 1.00 10.00 H new ATOM 0 HD3 ARG A 54 -2.055 -5.472 -8.787 1.00 10.00 H new ATOM 0 HE ARG A 54 -4.605 -6.832 -8.188 1.00 10.00 H new ATOM 0 HH11 ARG A 54 -1.403 -7.037 -9.675 1.00 10.00 H new ATOM 0 HH12 ARG A 54 -1.372 -8.803 -9.624 1.00 10.00 H new ATOM 0 HH21 ARG A 54 -4.560 -9.092 -8.139 1.00 10.00 H new ATOM 0 HH22 ARG A 54 -3.152 -9.962 -8.758 1.00 10.00 H new ATOM 593 N GLN A 55 -6.472 -2.192 -8.807 1.00 10.00 N ATOM 594 CA GLN A 55 -7.878 -2.480 -8.556 1.00 10.00 C ATOM 595 C GLN A 55 -8.756 -1.976 -9.698 1.00 10.00 C ATOM 596 O GLN A 55 -9.734 -2.621 -10.077 1.00 10.00 O ATOM 597 CB GLN A 55 -8.326 -1.835 -7.243 1.00 10.00 C ATOM 598 CG GLN A 55 -7.538 -2.295 -6.027 1.00 10.00 C ATOM 599 CD GLN A 55 -7.611 -3.794 -5.812 1.00 10.00 C ATOM 600 OE1 GLN A 55 -6.747 -4.542 -6.266 1.00 10.00 O ATOM 601 NE2 GLN A 55 -8.649 -4.242 -5.125 1.00 10.00 N ATOM 0 H GLN A 55 -6.128 -1.346 -8.353 1.00 10.00 H new ATOM 0 HA GLN A 55 -7.988 -3.562 -8.485 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -8.236 -0.752 -7.333 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -9.382 -2.055 -7.084 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -6.495 -2.000 -6.143 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -7.917 -1.787 -5.140 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -9.344 -3.587 -4.766 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -8.755 -5.242 -4.955 1.00 10.00 H new ATOM 610 N GLY A 56 -8.402 -0.822 -10.242 1.00 10.00 N ATOM 611 CA GLY A 56 -9.172 -0.246 -11.323 1.00 10.00 C ATOM 612 C GLY A 56 -9.973 0.950 -10.859 1.00 10.00 C ATOM 613 O GLY A 56 -11.099 1.178 -11.304 1.00 10.00 O ATOM 0 H GLY A 56 -7.593 -0.273 -9.953 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -8.502 0.054 -12.128 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -9.845 -0.999 -11.733 1.00 10.00 H new ATOM 617 N VAL A 57 -9.388 1.711 -9.947 1.00 10.00 N ATOM 618 CA VAL A 57 -10.031 2.898 -9.401 1.00 10.00 C ATOM 619 C VAL A 57 -9.079 4.085 -9.467 1.00 10.00 C ATOM 620 O VAL A 57 -7.860 3.899 -9.504 1.00 10.00 O ATOM 621 CB VAL A 57 -10.470 2.682 -7.936 1.00 10.00 C ATOM 622 CG1 VAL A 57 -11.706 1.797 -7.865 1.00 10.00 C ATOM 623 CG2 VAL A 57 -9.337 2.088 -7.115 1.00 10.00 C ATOM 0 H VAL A 57 -8.460 1.526 -9.566 1.00 10.00 H new ATOM 0 HA VAL A 57 -10.918 3.097 -10.002 1.00 10.00 H new ATOM 0 HB VAL A 57 -10.724 3.654 -7.514 1.00 10.00 H new ATOM 0 HG11 VAL A 57 -11.996 1.660 -6.823 1.00 10.00 H new ATOM 0 HG12 VAL A 57 -12.523 2.269 -8.410 1.00 10.00 H new ATOM 0 HG13 VAL A 57 -11.485 0.827 -8.311 1.00 10.00 H new ATOM 0 HG21 VAL A 57 -9.669 1.945 -6.087 1.00 10.00 H new ATOM 0 HG22 VAL A 57 -9.045 1.127 -7.539 1.00 10.00 H new ATOM 0 HG23 VAL A 57 -8.483 2.765 -7.129 1.00 10.00 H new ATOM 633 N PRO A 58 -9.611 5.313 -9.510 1.00 10.00 N ATOM 634 CA PRO A 58 -8.787 6.523 -9.562 1.00 10.00 C ATOM 635 C PRO A 58 -7.997 6.722 -8.271 1.00 10.00 C ATOM 636 O PRO A 58 -8.304 6.113 -7.247 1.00 10.00 O ATOM 637 CB PRO A 58 -9.805 7.650 -9.753 1.00 10.00 C ATOM 638 CG PRO A 58 -11.086 7.100 -9.235 1.00 10.00 C ATOM 639 CD PRO A 58 -11.051 5.626 -9.519 1.00 10.00 C ATOM 0 HA PRO A 58 -8.042 6.480 -10.356 1.00 10.00 H new ATOM 0 HB2 PRO A 58 -9.510 8.546 -9.207 1.00 10.00 H new ATOM 0 HB3 PRO A 58 -9.891 7.931 -10.803 1.00 10.00 H new ATOM 0 HG2 PRO A 58 -11.187 7.289 -8.166 1.00 10.00 H new ATOM 0 HG3 PRO A 58 -11.939 7.571 -9.724 1.00 10.00 H new ATOM 0 HD2 PRO A 58 -11.591 5.058 -8.762 1.00 10.00 H new ATOM 0 HD3 PRO A 58 -11.508 5.391 -10.480 1.00 10.00 H new ATOM 647 N MET A 59 -6.983 7.567 -8.321 1.00 10.00 N ATOM 648 CA MET A 59 -6.158 7.831 -7.152 1.00 10.00 C ATOM 649 C MET A 59 -6.940 8.611 -6.097 1.00 10.00 C ATOM 650 O MET A 59 -7.823 9.405 -6.431 1.00 10.00 O ATOM 651 CB MET A 59 -4.899 8.603 -7.557 1.00 10.00 C ATOM 652 CG MET A 59 -3.842 8.670 -6.464 1.00 10.00 C ATOM 653 SD MET A 59 -2.301 9.412 -7.036 1.00 10.00 S ATOM 654 CE MET A 59 -1.295 9.291 -5.560 1.00 10.00 C ATOM 0 H MET A 59 -6.710 8.083 -9.157 1.00 10.00 H new ATOM 0 HA MET A 59 -5.863 6.875 -6.719 1.00 10.00 H new ATOM 0 HB2 MET A 59 -4.465 8.135 -8.441 1.00 10.00 H new ATOM 0 HB3 MET A 59 -5.181 9.617 -7.840 1.00 10.00 H new ATOM 0 HG2 MET A 59 -4.229 9.247 -5.624 1.00 10.00 H new ATOM 0 HG3 MET A 59 -3.642 7.664 -6.095 1.00 10.00 H new ATOM 0 HE1 MET A 59 -0.556 10.092 -5.557 1.00 10.00 H new ATOM 0 HE2 MET A 59 -1.930 9.379 -4.679 1.00 10.00 H new ATOM 0 HE3 MET A 59 -0.785 8.328 -5.545 1.00 10.00 H new ATOM 664 N ASN A 60 -6.628 8.334 -4.827 1.00 10.00 N ATOM 665 CA ASN A 60 -7.246 9.000 -3.673 1.00 10.00 C ATOM 666 C ASN A 60 -8.652 8.474 -3.389 1.00 10.00 C ATOM 667 O ASN A 60 -9.381 9.046 -2.577 1.00 10.00 O ATOM 668 CB ASN A 60 -7.279 10.523 -3.858 1.00 10.00 C ATOM 669 CG ASN A 60 -6.918 11.274 -2.590 1.00 10.00 C ATOM 670 OD1 ASN A 60 -5.747 11.561 -2.337 1.00 10.00 O ATOM 671 ND2 ASN A 60 -7.915 11.603 -1.785 1.00 10.00 N ATOM 0 H ASN A 60 -5.933 7.634 -4.567 1.00 10.00 H new ATOM 0 HA ASN A 60 -6.622 8.767 -2.810 1.00 10.00 H new ATOM 0 HB2 ASN A 60 -6.586 10.804 -4.651 1.00 10.00 H new ATOM 0 HB3 ASN A 60 -8.275 10.824 -4.183 1.00 10.00 H new ATOM 0 HD21 ASN A 60 -7.726 12.112 -0.921 1.00 10.00 H new ATOM 0 HD22 ASN A 60 -8.872 11.348 -2.028 1.00 10.00 H new ATOM 678 N SER A 61 -9.023 7.375 -4.032 1.00 10.00 N ATOM 679 CA SER A 61 -10.341 6.789 -3.830 1.00 10.00 C ATOM 680 C SER A 61 -10.327 5.829 -2.645 1.00 10.00 C ATOM 681 O SER A 61 -11.330 5.657 -1.952 1.00 10.00 O ATOM 682 CB SER A 61 -10.792 6.050 -5.092 1.00 10.00 C ATOM 683 OG SER A 61 -9.851 5.056 -5.458 1.00 10.00 O ATOM 0 H SER A 61 -8.433 6.873 -4.695 1.00 10.00 H new ATOM 0 HA SER A 61 -11.044 7.595 -3.619 1.00 10.00 H new ATOM 0 HB2 SER A 61 -11.765 5.590 -4.921 1.00 10.00 H new ATOM 0 HB3 SER A 61 -10.914 6.760 -5.910 1.00 10.00 H new ATOM 0 HG SER A 61 -9.509 5.245 -6.357 1.00 10.00 H new ATOM 689 N LEU A 62 -9.179 5.211 -2.417 1.00 10.00 N ATOM 690 CA LEU A 62 -9.023 4.259 -1.328 1.00 10.00 C ATOM 691 C LEU A 62 -8.099 4.813 -0.252 1.00 10.00 C ATOM 692 O LEU A 62 -7.085 5.449 -0.556 1.00 10.00 O ATOM 693 CB LEU A 62 -8.455 2.938 -1.857 1.00 10.00 C ATOM 694 CG LEU A 62 -9.237 2.294 -3.008 1.00 10.00 C ATOM 695 CD1 LEU A 62 -8.482 1.091 -3.557 1.00 10.00 C ATOM 696 CD2 LEU A 62 -10.627 1.882 -2.549 1.00 10.00 C ATOM 0 H LEU A 62 -8.337 5.353 -2.975 1.00 10.00 H new ATOM 0 HA LEU A 62 -10.006 4.083 -0.891 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -7.431 3.111 -2.189 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -8.407 2.227 -1.032 1.00 10.00 H new ATOM 0 HG LEU A 62 -9.343 3.031 -3.804 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -9.051 0.646 -4.373 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -7.507 1.411 -3.926 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -8.346 0.354 -2.765 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -11.165 1.427 -3.381 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -10.543 1.162 -1.735 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -11.171 2.761 -2.202 1.00 10.00 H new ATOM 708 N ARG A 63 -8.452 4.573 1.004 1.00 10.00 N ATOM 709 CA ARG A 63 -7.646 5.035 2.124 1.00 10.00 C ATOM 710 C ARG A 63 -6.865 3.872 2.728 1.00 10.00 C ATOM 711 O ARG A 63 -7.438 2.833 3.066 1.00 10.00 O ATOM 712 CB ARG A 63 -8.509 5.717 3.199 1.00 10.00 C ATOM 713 CG ARG A 63 -9.561 4.817 3.840 1.00 10.00 C ATOM 714 CD ARG A 63 -10.235 5.505 5.021 1.00 10.00 C ATOM 715 NE ARG A 63 -11.261 4.665 5.642 1.00 10.00 N ATOM 716 CZ ARG A 63 -12.568 4.779 5.399 1.00 10.00 C ATOM 717 NH1 ARG A 63 -13.019 5.704 4.556 1.00 10.00 N ATOM 718 NH2 ARG A 63 -13.430 3.967 6.003 1.00 10.00 N ATOM 0 H ARG A 63 -9.292 4.060 1.272 1.00 10.00 H new ATOM 0 HA ARG A 63 -6.943 5.777 1.745 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -7.854 6.101 3.981 1.00 10.00 H new ATOM 0 HB3 ARG A 63 -9.009 6.576 2.752 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -10.312 4.546 3.098 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -9.095 3.890 4.174 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -9.482 5.765 5.765 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -10.687 6.438 4.685 1.00 10.00 H new ATOM 0 HE ARG A 63 -10.958 3.948 6.301 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -12.364 6.332 4.090 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -14.020 5.785 4.375 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -13.092 3.257 6.652 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -14.429 4.054 5.817 1.00 10.00 H new ATOM 732 N PHE A 64 -5.556 4.043 2.825 1.00 10.00 N ATOM 733 CA PHE A 64 -4.694 3.021 3.397 1.00 10.00 C ATOM 734 C PHE A 64 -4.549 3.261 4.889 1.00 10.00 C ATOM 735 O PHE A 64 -4.135 4.343 5.314 1.00 10.00 O ATOM 736 CB PHE A 64 -3.326 3.030 2.714 1.00 10.00 C ATOM 737 CG PHE A 64 -3.393 2.756 1.240 1.00 10.00 C ATOM 738 CD1 PHE A 64 -3.254 3.786 0.324 1.00 10.00 C ATOM 739 CD2 PHE A 64 -3.600 1.470 0.770 1.00 10.00 C ATOM 740 CE1 PHE A 64 -3.320 3.541 -1.033 1.00 10.00 C ATOM 741 CE2 PHE A 64 -3.667 1.217 -0.587 1.00 10.00 C ATOM 742 CZ PHE A 64 -3.526 2.254 -1.490 1.00 10.00 C ATOM 0 H PHE A 64 -5.066 4.882 2.514 1.00 10.00 H new ATOM 0 HA PHE A 64 -5.143 2.041 3.236 1.00 10.00 H new ATOM 0 HB2 PHE A 64 -2.855 4.000 2.875 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -2.688 2.283 3.186 1.00 10.00 H new ATOM 0 HD1 PHE A 64 -3.092 4.794 0.676 1.00 10.00 H new ATOM 0 HD2 PHE A 64 -3.710 0.656 1.471 1.00 10.00 H new ATOM 0 HE1 PHE A 64 -3.211 4.354 -1.736 1.00 10.00 H new ATOM 0 HE2 PHE A 64 -3.829 0.210 -0.942 1.00 10.00 H new ATOM 0 HZ PHE A 64 -3.577 2.058 -2.551 1.00 10.00 H new ATOM 752 N LEU A 65 -4.899 2.261 5.679 1.00 10.00 N ATOM 753 CA LEU A 65 -4.837 2.372 7.127 1.00 10.00 C ATOM 754 C LEU A 65 -3.722 1.512 7.706 1.00 10.00 C ATOM 755 O LEU A 65 -3.623 0.314 7.422 1.00 10.00 O ATOM 756 CB LEU A 65 -6.176 1.967 7.744 1.00 10.00 C ATOM 757 CG LEU A 65 -7.399 2.697 7.184 1.00 10.00 C ATOM 758 CD1 LEU A 65 -8.676 2.010 7.638 1.00 10.00 C ATOM 759 CD2 LEU A 65 -7.395 4.157 7.615 1.00 10.00 C ATOM 0 H LEU A 65 -5.231 1.358 5.340 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.623 3.413 7.371 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -6.315 0.896 7.600 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -6.130 2.141 8.819 1.00 10.00 H new ATOM 0 HG LEU A 65 -7.355 2.663 6.095 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -9.538 2.540 7.232 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -8.682 0.980 7.281 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -8.725 2.017 8.727 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -8.272 4.659 7.207 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -7.417 4.215 8.703 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -6.493 4.643 7.244 1.00 10.00 H new ATOM 771 N PHE A 66 -2.886 2.144 8.508 1.00 10.00 N ATOM 772 CA PHE A 66 -1.779 1.476 9.163 1.00 10.00 C ATOM 773 C PHE A 66 -1.701 1.952 10.606 1.00 10.00 C ATOM 774 O PHE A 66 -1.458 3.134 10.859 1.00 10.00 O ATOM 775 CB PHE A 66 -0.469 1.769 8.431 1.00 10.00 C ATOM 776 CG PHE A 66 0.673 0.890 8.858 1.00 10.00 C ATOM 777 CD1 PHE A 66 0.782 -0.406 8.376 1.00 10.00 C ATOM 778 CD2 PHE A 66 1.638 1.359 9.735 1.00 10.00 C ATOM 779 CE1 PHE A 66 1.831 -1.217 8.763 1.00 10.00 C ATOM 780 CE2 PHE A 66 2.688 0.551 10.126 1.00 10.00 C ATOM 781 CZ PHE A 66 2.785 -0.738 9.638 1.00 10.00 C ATOM 0 H PHE A 66 -2.956 3.138 8.724 1.00 10.00 H new ATOM 0 HA PHE A 66 -1.940 0.398 9.143 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -0.627 1.648 7.359 1.00 10.00 H new ATOM 0 HB3 PHE A 66 -0.196 2.811 8.597 1.00 10.00 H new ATOM 0 HD1 PHE A 66 0.038 -0.785 7.691 1.00 10.00 H new ATOM 0 HD2 PHE A 66 1.568 2.367 10.117 1.00 10.00 H new ATOM 0 HE1 PHE A 66 1.905 -2.225 8.381 1.00 10.00 H new ATOM 0 HE2 PHE A 66 3.432 0.926 10.812 1.00 10.00 H new ATOM 0 HZ PHE A 66 3.607 -1.370 9.941 1.00 10.00 H new ATOM 791 N GLU A 67 -1.947 1.038 11.542 1.00 10.00 N ATOM 792 CA GLU A 67 -1.920 1.355 12.970 1.00 10.00 C ATOM 793 C GLU A 67 -3.036 2.337 13.324 1.00 10.00 C ATOM 794 O GLU A 67 -2.915 3.121 14.268 1.00 10.00 O ATOM 795 CB GLU A 67 -0.557 1.929 13.374 1.00 10.00 C ATOM 796 CG GLU A 67 0.530 0.877 13.538 1.00 10.00 C ATOM 797 CD GLU A 67 0.477 0.198 14.890 1.00 10.00 C ATOM 798 OE1 GLU A 67 -0.094 -0.909 14.988 1.00 10.00 O ATOM 799 OE2 GLU A 67 1.007 0.770 15.867 1.00 10.00 O ATOM 0 H GLU A 67 -2.169 0.064 11.336 1.00 10.00 H new ATOM 0 HA GLU A 67 -2.082 0.431 13.525 1.00 10.00 H new ATOM 0 HB2 GLU A 67 -0.240 2.651 12.621 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -0.666 2.474 14.312 1.00 10.00 H new ATOM 0 HG2 GLU A 67 0.427 0.127 12.754 1.00 10.00 H new ATOM 0 HG3 GLU A 67 1.506 1.344 13.407 1.00 10.00 H new ATOM 806 N GLY A 68 -4.118 2.292 12.552 1.00 10.00 N ATOM 807 CA GLY A 68 -5.249 3.170 12.790 1.00 10.00 C ATOM 808 C GLY A 68 -5.093 4.528 12.132 1.00 10.00 C ATOM 809 O GLY A 68 -6.031 5.325 12.112 1.00 10.00 O ATOM 0 H GLY A 68 -4.231 1.658 11.761 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -6.156 2.694 12.418 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -5.377 3.305 13.864 1.00 10.00 H new ATOM 813 N GLN A 69 -3.913 4.798 11.594 1.00 10.00 N ATOM 814 CA GLN A 69 -3.648 6.072 10.945 1.00 10.00 C ATOM 815 C GLN A 69 -3.639 5.908 9.431 1.00 10.00 C ATOM 816 O GLN A 69 -3.314 4.837 8.917 1.00 10.00 O ATOM 817 CB GLN A 69 -2.316 6.650 11.424 1.00 10.00 C ATOM 818 CG GLN A 69 -2.304 6.983 12.909 1.00 10.00 C ATOM 819 CD GLN A 69 -1.067 7.752 13.330 1.00 10.00 C ATOM 820 OE1 GLN A 69 0.000 7.616 12.733 1.00 10.00 O ATOM 821 NE2 GLN A 69 -1.200 8.566 14.367 1.00 10.00 N ATOM 0 H GLN A 69 -3.124 4.151 11.594 1.00 10.00 H new ATOM 0 HA GLN A 69 -4.444 6.766 11.214 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -1.521 5.935 11.212 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -2.094 7.552 10.854 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -3.190 7.569 13.152 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -2.365 6.059 13.484 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -2.102 8.651 14.836 1.00 10.00 H new ATOM 0 HE22 GLN A 69 -0.401 9.107 14.696 1.00 10.00 H new ATOM 830 N ARG A 70 -4.005 6.965 8.721 1.00 10.00 N ATOM 831 CA ARG A 70 -4.036 6.925 7.267 1.00 10.00 C ATOM 832 C ARG A 70 -2.673 7.281 6.686 1.00 10.00 C ATOM 833 O ARG A 70 -2.007 8.210 7.154 1.00 10.00 O ATOM 834 CB ARG A 70 -5.115 7.867 6.717 1.00 10.00 C ATOM 835 CG ARG A 70 -4.924 9.323 7.117 1.00 10.00 C ATOM 836 CD ARG A 70 -6.128 10.172 6.735 1.00 10.00 C ATOM 837 NE ARG A 70 -6.234 10.371 5.289 1.00 10.00 N ATOM 838 CZ ARG A 70 -7.287 10.003 4.557 1.00 10.00 C ATOM 839 NH1 ARG A 70 -8.330 9.407 5.124 1.00 10.00 N ATOM 840 NH2 ARG A 70 -7.305 10.234 3.251 1.00 10.00 N ATOM 0 H ARG A 70 -4.284 7.858 9.127 1.00 10.00 H new ATOM 0 HA ARG A 70 -4.283 5.907 6.965 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -5.124 7.797 5.629 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -6.091 7.529 7.066 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -4.760 9.387 8.193 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -4.031 9.719 6.634 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -7.037 9.694 7.101 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -6.057 11.141 7.228 1.00 10.00 H new ATOM 0 HE ARG A 70 -5.453 10.820 4.810 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -8.331 9.227 6.128 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -9.130 9.130 4.555 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -6.512 10.694 2.804 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -8.112 9.951 2.694 1.00 10.00 H new ATOM 854 N ILE A 71 -2.262 6.526 5.677 1.00 10.00 N ATOM 855 CA ILE A 71 -0.982 6.746 5.015 1.00 10.00 C ATOM 856 C ILE A 71 -1.007 8.038 4.206 1.00 10.00 C ATOM 857 O ILE A 71 -1.929 8.277 3.421 1.00 10.00 O ATOM 858 CB ILE A 71 -0.625 5.563 4.083 1.00 10.00 C ATOM 859 CG1 ILE A 71 -0.509 4.265 4.888 1.00 10.00 C ATOM 860 CG2 ILE A 71 0.668 5.836 3.323 1.00 10.00 C ATOM 861 CD1 ILE A 71 0.576 4.295 5.946 1.00 10.00 C ATOM 0 H ILE A 71 -2.801 5.749 5.296 1.00 10.00 H new ATOM 0 HA ILE A 71 -0.222 6.824 5.792 1.00 10.00 H new ATOM 0 HB ILE A 71 -1.428 5.452 3.354 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -1.466 4.060 5.368 1.00 10.00 H new ATOM 0 HG13 ILE A 71 -0.313 3.440 4.203 1.00 10.00 H new ATOM 0 HG21 ILE A 71 0.895 4.989 2.676 1.00 10.00 H new ATOM 0 HG22 ILE A 71 0.551 6.735 2.717 1.00 10.00 H new ATOM 0 HG23 ILE A 71 1.483 5.980 4.032 1.00 10.00 H new ATOM 0 HD11 ILE A 71 0.596 3.341 6.473 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.542 4.468 5.472 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.371 5.097 6.655 1.00 10.00 H new ATOM 873 N ALA A 72 0.004 8.869 4.406 1.00 10.00 N ATOM 874 CA ALA A 72 0.108 10.131 3.700 1.00 10.00 C ATOM 875 C ALA A 72 0.784 9.936 2.349 1.00 10.00 C ATOM 876 O ALA A 72 1.506 8.961 2.140 1.00 10.00 O ATOM 877 CB ALA A 72 0.870 11.147 4.533 1.00 10.00 C ATOM 0 H ALA A 72 0.768 8.688 5.057 1.00 10.00 H new ATOM 0 HA ALA A 72 -0.899 10.511 3.529 1.00 10.00 H new ATOM 0 HB1 ALA A 72 0.938 12.088 3.987 1.00 10.00 H new ATOM 0 HB2 ALA A 72 0.347 11.311 5.475 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.873 10.772 4.736 1.00 10.00 H new ATOM 883 N ASP A 73 0.557 10.873 1.441 1.00 10.00 N ATOM 884 CA ASP A 73 1.134 10.814 0.097 1.00 10.00 C ATOM 885 C ASP A 73 2.644 11.030 0.118 1.00 10.00 C ATOM 886 O ASP A 73 3.321 10.840 -0.891 1.00 10.00 O ATOM 887 CB ASP A 73 0.489 11.866 -0.802 1.00 10.00 C ATOM 888 CG ASP A 73 -0.754 11.362 -1.498 1.00 10.00 C ATOM 889 OD1 ASP A 73 -1.605 10.736 -0.832 1.00 10.00 O ATOM 890 OD2 ASP A 73 -0.892 11.605 -2.714 1.00 10.00 O ATOM 0 H ASP A 73 -0.027 11.692 1.608 1.00 10.00 H new ATOM 0 HA ASP A 73 0.936 9.817 -0.296 1.00 10.00 H new ATOM 0 HB2 ASP A 73 0.235 12.741 -0.204 1.00 10.00 H new ATOM 0 HB3 ASP A 73 1.212 12.190 -1.550 1.00 10.00 H new ATOM 895 N ASN A 74 3.167 11.441 1.261 1.00 10.00 N ATOM 896 CA ASN A 74 4.596 11.692 1.403 1.00 10.00 C ATOM 897 C ASN A 74 5.200 10.803 2.484 1.00 10.00 C ATOM 898 O ASN A 74 6.278 11.094 3.010 1.00 10.00 O ATOM 899 CB ASN A 74 4.843 13.166 1.736 1.00 10.00 C ATOM 900 CG ASN A 74 4.330 13.553 3.111 1.00 10.00 C ATOM 901 OD1 ASN A 74 3.132 13.774 3.302 1.00 10.00 O ATOM 902 ND2 ASN A 74 5.230 13.643 4.076 1.00 10.00 N ATOM 0 H ASN A 74 2.624 11.609 2.108 1.00 10.00 H new ATOM 0 HA ASN A 74 5.079 11.455 0.455 1.00 10.00 H new ATOM 0 HB2 ASN A 74 5.912 13.372 1.681 1.00 10.00 H new ATOM 0 HB3 ASN A 74 4.359 13.790 0.984 1.00 10.00 H new ATOM 0 HD21 ASN A 74 4.942 13.903 5.019 1.00 10.00 H new ATOM 0 HD22 ASN A 74 6.212 13.452 3.877 1.00 10.00 H new ATOM 909 N HIS A 75 4.511 9.718 2.810 1.00 10.00 N ATOM 910 CA HIS A 75 4.985 8.796 3.834 1.00 10.00 C ATOM 911 C HIS A 75 6.116 7.920 3.303 1.00 10.00 C ATOM 912 O HIS A 75 6.356 7.852 2.096 1.00 10.00 O ATOM 913 CB HIS A 75 3.838 7.912 4.337 1.00 10.00 C ATOM 914 CG HIS A 75 3.351 8.265 5.711 1.00 10.00 C ATOM 915 ND1 HIS A 75 2.064 7.987 6.108 1.00 10.00 N ATOM 916 CD2 HIS A 75 4.011 8.854 6.737 1.00 10.00 C ATOM 917 CE1 HIS A 75 1.970 8.407 7.357 1.00 10.00 C ATOM 918 NE2 HIS A 75 3.125 8.937 7.779 1.00 10.00 N ATOM 0 H HIS A 75 3.624 9.455 2.381 1.00 10.00 H new ATOM 0 HA HIS A 75 5.367 9.391 4.664 1.00 10.00 H new ATOM 0 HB2 HIS A 75 3.005 7.984 3.638 1.00 10.00 H new ATOM 0 HB3 HIS A 75 4.167 6.873 4.335 1.00 10.00 H new ATOM 0 HD2 HIS A 75 5.037 9.192 6.734 1.00 10.00 H new ATOM 0 HE1 HIS A 75 1.077 8.333 7.960 1.00 10.00 H new ATOM 0 HE2 HIS A 75 3.310 9.329 8.702 1.00 10.00 H new ATOM 926 N THR A 76 6.814 7.268 4.218 1.00 10.00 N ATOM 927 CA THR A 76 7.913 6.380 3.875 1.00 10.00 C ATOM 928 C THR A 76 7.833 5.124 4.746 1.00 10.00 C ATOM 929 O THR A 76 7.390 5.204 5.889 1.00 10.00 O ATOM 930 CB THR A 76 9.277 7.076 4.090 1.00 10.00 C ATOM 931 OG1 THR A 76 9.079 8.474 4.344 1.00 10.00 O ATOM 932 CG2 THR A 76 10.171 6.911 2.870 1.00 10.00 C ATOM 0 H THR A 76 6.635 7.339 5.220 1.00 10.00 H new ATOM 0 HA THR A 76 7.830 6.112 2.822 1.00 10.00 H new ATOM 0 HB THR A 76 9.762 6.609 4.947 1.00 10.00 H new ATOM 0 HG1 THR A 76 8.737 8.596 5.254 1.00 10.00 H new ATOM 0 HG21 THR A 76 11.124 7.410 3.047 1.00 10.00 H new ATOM 0 HG22 THR A 76 10.345 5.851 2.687 1.00 10.00 H new ATOM 0 HG23 THR A 76 9.686 7.354 2.001 1.00 10.00 H new ATOM 940 N PRO A 77 8.253 3.950 4.234 1.00 10.00 N ATOM 941 CA PRO A 77 8.204 2.695 5.001 1.00 10.00 C ATOM 942 C PRO A 77 9.161 2.702 6.189 1.00 10.00 C ATOM 943 O PRO A 77 9.114 1.817 7.048 1.00 10.00 O ATOM 944 CB PRO A 77 8.623 1.624 3.986 1.00 10.00 C ATOM 945 CG PRO A 77 8.530 2.275 2.651 1.00 10.00 C ATOM 946 CD PRO A 77 8.794 3.732 2.883 1.00 10.00 C ATOM 0 HA PRO A 77 7.216 2.527 5.429 1.00 10.00 H new ATOM 0 HB2 PRO A 77 9.637 1.275 4.181 1.00 10.00 H new ATOM 0 HB3 PRO A 77 7.970 0.753 4.043 1.00 10.00 H new ATOM 0 HG2 PRO A 77 9.258 1.852 1.959 1.00 10.00 H new ATOM 0 HG3 PRO A 77 7.545 2.122 2.210 1.00 10.00 H new ATOM 0 HD2 PRO A 77 9.858 3.964 2.831 1.00 10.00 H new ATOM 0 HD3 PRO A 77 8.295 4.357 2.142 1.00 10.00 H new ATOM 954 N LYS A 78 10.036 3.702 6.219 1.00 10.00 N ATOM 955 CA LYS A 78 11.008 3.854 7.290 1.00 10.00 C ATOM 956 C LYS A 78 10.307 4.271 8.580 1.00 10.00 C ATOM 957 O LYS A 78 10.602 3.753 9.662 1.00 10.00 O ATOM 958 CB LYS A 78 12.061 4.893 6.887 1.00 10.00 C ATOM 959 CG LYS A 78 13.104 5.177 7.957 1.00 10.00 C ATOM 960 CD LYS A 78 13.854 3.921 8.371 1.00 10.00 C ATOM 961 CE LYS A 78 14.665 3.333 7.222 1.00 10.00 C ATOM 962 NZ LYS A 78 15.573 2.252 7.689 1.00 10.00 N ATOM 0 H LYS A 78 10.089 4.426 5.503 1.00 10.00 H new ATOM 0 HA LYS A 78 11.505 2.900 7.464 1.00 10.00 H new ATOM 0 HB2 LYS A 78 12.567 4.548 5.985 1.00 10.00 H new ATOM 0 HB3 LYS A 78 11.556 5.825 6.633 1.00 10.00 H new ATOM 0 HG2 LYS A 78 13.813 5.916 7.584 1.00 10.00 H new ATOM 0 HG3 LYS A 78 12.618 5.613 8.830 1.00 10.00 H new ATOM 0 HD2 LYS A 78 14.520 4.154 9.202 1.00 10.00 H new ATOM 0 HD3 LYS A 78 13.143 3.177 8.731 1.00 10.00 H new ATOM 0 HE2 LYS A 78 13.989 2.939 6.463 1.00 10.00 H new ATOM 0 HE3 LYS A 78 15.250 4.121 6.748 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 16.109 1.875 6.881 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 16.234 2.635 8.395 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 15.012 1.489 8.118 1.00 10.00 H new ATOM 976 N GLU A 79 9.366 5.200 8.453 1.00 10.00 N ATOM 977 CA GLU A 79 8.611 5.684 9.596 1.00 10.00 C ATOM 978 C GLU A 79 7.428 4.759 9.858 1.00 10.00 C ATOM 979 O GLU A 79 7.134 3.886 9.037 1.00 10.00 O ATOM 980 CB GLU A 79 8.144 7.125 9.368 1.00 10.00 C ATOM 981 CG GLU A 79 7.255 7.304 8.149 1.00 10.00 C ATOM 982 CD GLU A 79 7.283 8.718 7.609 1.00 10.00 C ATOM 983 OE1 GLU A 79 7.036 9.666 8.384 1.00 10.00 O ATOM 984 OE2 GLU A 79 7.549 8.892 6.402 1.00 10.00 O ATOM 0 H GLU A 79 9.109 5.632 7.566 1.00 10.00 H new ATOM 0 HA GLU A 79 9.256 5.683 10.474 1.00 10.00 H new ATOM 0 HB2 GLU A 79 7.603 7.464 10.252 1.00 10.00 H new ATOM 0 HB3 GLU A 79 9.019 7.767 9.264 1.00 10.00 H new ATOM 0 HG2 GLU A 79 7.574 6.614 7.367 1.00 10.00 H new ATOM 0 HG3 GLU A 79 6.230 7.039 8.409 1.00 10.00 H new ATOM 991 N LEU A 80 6.786 4.925 11.020 1.00 10.00 N ATOM 992 CA LEU A 80 5.632 4.108 11.427 1.00 10.00 C ATOM 993 C LEU A 80 6.062 2.700 11.847 1.00 10.00 C ATOM 994 O LEU A 80 5.451 2.090 12.725 1.00 10.00 O ATOM 995 CB LEU A 80 4.578 4.019 10.314 1.00 10.00 C ATOM 996 CG LEU A 80 3.940 5.347 9.902 1.00 10.00 C ATOM 997 CD1 LEU A 80 3.063 5.157 8.679 1.00 10.00 C ATOM 998 CD2 LEU A 80 3.135 5.931 11.051 1.00 10.00 C ATOM 0 H LEU A 80 7.051 5.630 11.707 1.00 10.00 H new ATOM 0 HA LEU A 80 5.184 4.607 12.286 1.00 10.00 H new ATOM 0 HB2 LEU A 80 5.041 3.570 9.435 1.00 10.00 H new ATOM 0 HB3 LEU A 80 3.788 3.342 10.639 1.00 10.00 H new ATOM 0 HG LEU A 80 4.735 6.048 9.650 1.00 10.00 H new ATOM 0 HD11 LEU A 80 2.617 6.111 8.399 1.00 10.00 H new ATOM 0 HD12 LEU A 80 3.667 4.783 7.853 1.00 10.00 H new ATOM 0 HD13 LEU A 80 2.274 4.440 8.905 1.00 10.00 H new ATOM 0 HD21 LEU A 80 2.689 6.875 10.739 1.00 10.00 H new ATOM 0 HD22 LEU A 80 2.347 5.233 11.335 1.00 10.00 H new ATOM 0 HD23 LEU A 80 3.791 6.104 11.904 1.00 10.00 H new ATOM 1010 N GLY A 81 7.107 2.190 11.210 1.00 10.00 N ATOM 1011 CA GLY A 81 7.600 0.869 11.526 1.00 10.00 C ATOM 1012 C GLY A 81 6.911 -0.200 10.708 1.00 10.00 C ATOM 1013 O GLY A 81 5.982 -0.849 11.181 1.00 10.00 O ATOM 0 H GLY A 81 7.624 2.673 10.475 1.00 10.00 H new ATOM 0 HA2 GLY A 81 8.674 0.829 11.345 1.00 10.00 H new ATOM 0 HA3 GLY A 81 7.448 0.669 12.587 1.00 10.00 H new ATOM 1017 N MET A 82 7.351 -0.365 9.471 1.00 10.00 N ATOM 1018 CA MET A 82 6.772 -1.362 8.583 1.00 10.00 C ATOM 1019 C MET A 82 7.718 -2.545 8.433 1.00 10.00 C ATOM 1020 O MET A 82 8.840 -2.401 7.940 1.00 10.00 O ATOM 1021 CB MET A 82 6.471 -0.752 7.213 1.00 10.00 C ATOM 1022 CG MET A 82 5.375 0.299 7.238 1.00 10.00 C ATOM 1023 SD MET A 82 5.007 0.956 5.599 1.00 10.00 S ATOM 1024 CE MET A 82 3.782 2.200 6.000 1.00 10.00 C ATOM 0 H MET A 82 8.108 0.179 9.058 1.00 10.00 H new ATOM 0 HA MET A 82 5.836 -1.711 9.020 1.00 10.00 H new ATOM 0 HB2 MET A 82 7.382 -0.304 6.817 1.00 10.00 H new ATOM 0 HB3 MET A 82 6.183 -1.548 6.526 1.00 10.00 H new ATOM 0 HG2 MET A 82 4.470 -0.135 7.663 1.00 10.00 H new ATOM 0 HG3 MET A 82 5.675 1.116 7.894 1.00 10.00 H new ATOM 0 HE1 MET A 82 3.193 2.430 5.112 1.00 10.00 H new ATOM 0 HE2 MET A 82 3.125 1.824 6.784 1.00 10.00 H new ATOM 0 HE3 MET A 82 4.282 3.104 6.348 1.00 10.00 H new ATOM 1034 N GLU A 83 7.265 -3.709 8.864 1.00 10.00 N ATOM 1035 CA GLU A 83 8.070 -4.917 8.787 1.00 10.00 C ATOM 1036 C GLU A 83 7.527 -5.859 7.721 1.00 10.00 C ATOM 1037 O GLU A 83 6.483 -5.601 7.125 1.00 10.00 O ATOM 1038 CB GLU A 83 8.091 -5.631 10.140 1.00 10.00 C ATOM 1039 CG GLU A 83 8.787 -4.846 11.238 1.00 10.00 C ATOM 1040 CD GLU A 83 10.270 -4.680 10.986 1.00 10.00 C ATOM 1041 OE1 GLU A 83 10.925 -5.664 10.584 1.00 10.00 O ATOM 1042 OE2 GLU A 83 10.792 -3.568 11.203 1.00 10.00 O ATOM 0 H GLU A 83 6.340 -3.844 9.273 1.00 10.00 H new ATOM 0 HA GLU A 83 9.086 -4.629 8.518 1.00 10.00 H new ATOM 0 HB2 GLU A 83 7.066 -5.836 10.448 1.00 10.00 H new ATOM 0 HB3 GLU A 83 8.588 -6.594 10.024 1.00 10.00 H new ATOM 0 HG2 GLU A 83 8.325 -3.863 11.325 1.00 10.00 H new ATOM 0 HG3 GLU A 83 8.639 -5.353 12.191 1.00 10.00 H new ATOM 1049 N GLU A 84 8.244 -6.947 7.481 1.00 10.00 N ATOM 1050 CA GLU A 84 7.827 -7.941 6.506 1.00 10.00 C ATOM 1051 C GLU A 84 6.576 -8.652 7.016 1.00 10.00 C ATOM 1052 O GLU A 84 6.488 -8.970 8.205 1.00 10.00 O ATOM 1053 CB GLU A 84 8.960 -8.950 6.274 1.00 10.00 C ATOM 1054 CG GLU A 84 8.565 -10.159 5.436 1.00 10.00 C ATOM 1055 CD GLU A 84 8.839 -9.980 3.955 1.00 10.00 C ATOM 1056 OE1 GLU A 84 9.344 -8.910 3.556 1.00 10.00 O ATOM 1057 OE2 GLU A 84 8.557 -10.921 3.180 1.00 10.00 O ATOM 0 H GLU A 84 9.122 -7.164 7.952 1.00 10.00 H new ATOM 0 HA GLU A 84 7.599 -7.453 5.558 1.00 10.00 H new ATOM 0 HB2 GLU A 84 9.790 -8.440 5.785 1.00 10.00 H new ATOM 0 HB3 GLU A 84 9.325 -9.297 7.241 1.00 10.00 H new ATOM 0 HG2 GLU A 84 9.107 -11.034 5.795 1.00 10.00 H new ATOM 0 HG3 GLU A 84 7.504 -10.361 5.580 1.00 10.00 H new ATOM 1064 N GLU A 85 5.608 -8.866 6.123 1.00 10.00 N ATOM 1065 CA GLU A 85 4.354 -9.542 6.465 1.00 10.00 C ATOM 1066 C GLU A 85 3.477 -8.677 7.368 1.00 10.00 C ATOM 1067 O GLU A 85 2.633 -9.196 8.104 1.00 10.00 O ATOM 1068 CB GLU A 85 4.631 -10.890 7.141 1.00 10.00 C ATOM 1069 CG GLU A 85 5.115 -11.967 6.188 1.00 10.00 C ATOM 1070 CD GLU A 85 3.999 -12.541 5.344 1.00 10.00 C ATOM 1071 OE1 GLU A 85 4.161 -12.619 4.110 1.00 10.00 O ATOM 1072 OE2 GLU A 85 2.954 -12.920 5.917 1.00 10.00 O ATOM 0 H GLU A 85 5.670 -8.577 5.147 1.00 10.00 H new ATOM 0 HA GLU A 85 3.815 -9.715 5.534 1.00 10.00 H new ATOM 0 HB2 GLU A 85 5.378 -10.747 7.922 1.00 10.00 H new ATOM 0 HB3 GLU A 85 3.720 -11.234 7.630 1.00 10.00 H new ATOM 0 HG2 GLU A 85 5.882 -11.551 5.535 1.00 10.00 H new ATOM 0 HG3 GLU A 85 5.583 -12.769 6.759 1.00 10.00 H new ATOM 1079 N ASP A 86 3.669 -7.360 7.306 1.00 10.00 N ATOM 1080 CA ASP A 86 2.884 -6.433 8.115 1.00 10.00 C ATOM 1081 C ASP A 86 1.447 -6.378 7.607 1.00 10.00 C ATOM 1082 O ASP A 86 1.182 -6.650 6.431 1.00 10.00 O ATOM 1083 CB ASP A 86 3.501 -5.034 8.098 1.00 10.00 C ATOM 1084 CG ASP A 86 3.640 -4.448 9.489 1.00 10.00 C ATOM 1085 OD1 ASP A 86 2.631 -4.393 10.226 1.00 10.00 O ATOM 1086 OD2 ASP A 86 4.762 -4.040 9.855 1.00 10.00 O ATOM 0 H ASP A 86 4.361 -6.913 6.704 1.00 10.00 H new ATOM 0 HA ASP A 86 2.885 -6.794 9.143 1.00 10.00 H new ATOM 0 HB2 ASP A 86 4.482 -5.078 7.625 1.00 10.00 H new ATOM 0 HB3 ASP A 86 2.883 -4.374 7.489 1.00 10.00 H new ATOM 1091 N VAL A 87 0.523 -6.020 8.489 1.00 10.00 N ATOM 1092 CA VAL A 87 -0.888 -5.960 8.134 1.00 10.00 C ATOM 1093 C VAL A 87 -1.343 -4.531 7.860 1.00 10.00 C ATOM 1094 O VAL A 87 -1.226 -3.652 8.720 1.00 10.00 O ATOM 1095 CB VAL A 87 -1.772 -6.568 9.245 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -3.230 -6.642 8.801 1.00 10.00 C ATOM 1097 CG2 VAL A 87 -1.262 -7.946 9.640 1.00 10.00 C ATOM 0 H VAL A 87 0.726 -5.767 9.456 1.00 10.00 H new ATOM 0 HA VAL A 87 -1.002 -6.545 7.222 1.00 10.00 H new ATOM 0 HB VAL A 87 -1.716 -5.917 10.117 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -3.832 -7.074 9.600 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -3.593 -5.639 8.574 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -3.308 -7.266 7.911 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -1.897 -8.358 10.424 1.00 10.00 H new ATOM 0 HG22 VAL A 87 -1.283 -8.605 8.772 1.00 10.00 H new ATOM 0 HG23 VAL A 87 -0.239 -7.864 10.008 1.00 10.00 H new ATOM 1107 N ILE A 88 -1.855 -4.307 6.658 1.00 10.00 N ATOM 1108 CA ILE A 88 -2.351 -3.001 6.257 1.00 10.00 C ATOM 1109 C ILE A 88 -3.769 -3.139 5.696 1.00 10.00 C ATOM 1110 O ILE A 88 -4.068 -4.087 4.963 1.00 10.00 O ATOM 1111 CB ILE A 88 -1.414 -2.331 5.217 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -1.950 -0.952 4.812 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -1.239 -3.218 3.994 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -1.014 -0.176 3.907 1.00 10.00 C ATOM 0 H ILE A 88 -1.937 -5.023 5.937 1.00 10.00 H new ATOM 0 HA ILE A 88 -2.373 -2.357 7.136 1.00 10.00 H new ATOM 0 HB ILE A 88 -0.437 -2.196 5.681 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.908 -1.078 4.307 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -2.139 -0.367 5.712 1.00 10.00 H new ATOM 0 HG21 ILE A 88 -0.578 -2.727 3.280 1.00 10.00 H new ATOM 0 HG22 ILE A 88 -0.804 -4.171 4.295 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -2.209 -3.393 3.530 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -1.460 0.788 3.663 1.00 10.00 H new ATOM 0 HD12 ILE A 88 -0.064 -0.017 4.417 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -0.844 -0.740 2.990 1.00 10.00 H new ATOM 1126 N GLU A 89 -4.642 -2.213 6.067 1.00 10.00 N ATOM 1127 CA GLU A 89 -6.027 -2.245 5.613 1.00 10.00 C ATOM 1128 C GLU A 89 -6.281 -1.153 4.578 1.00 10.00 C ATOM 1129 O GLU A 89 -5.572 -0.148 4.537 1.00 10.00 O ATOM 1130 CB GLU A 89 -6.979 -2.072 6.800 1.00 10.00 C ATOM 1131 CG GLU A 89 -6.835 -3.152 7.859 1.00 10.00 C ATOM 1132 CD GLU A 89 -7.576 -2.818 9.137 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -8.711 -3.310 9.322 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -7.024 -2.068 9.970 1.00 10.00 O ATOM 0 H GLU A 89 -4.417 -1.430 6.681 1.00 10.00 H new ATOM 0 HA GLU A 89 -6.211 -3.214 5.148 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -6.801 -1.099 7.259 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -8.006 -2.069 6.434 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -7.209 -4.096 7.463 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -5.778 -3.297 8.083 1.00 10.00 H new ATOM 1141 N VAL A 90 -7.291 -1.358 3.745 1.00 10.00 N ATOM 1142 CA VAL A 90 -7.645 -0.399 2.711 1.00 10.00 C ATOM 1143 C VAL A 90 -9.158 -0.399 2.476 1.00 10.00 C ATOM 1144 O VAL A 90 -9.770 -1.454 2.278 1.00 10.00 O ATOM 1145 CB VAL A 90 -6.894 -0.690 1.386 1.00 10.00 C ATOM 1146 CG1 VAL A 90 -7.174 -2.101 0.889 1.00 10.00 C ATOM 1147 CG2 VAL A 90 -7.259 0.337 0.324 1.00 10.00 C ATOM 0 H VAL A 90 -7.884 -2.188 3.767 1.00 10.00 H new ATOM 0 HA VAL A 90 -7.341 0.589 3.057 1.00 10.00 H new ATOM 0 HB VAL A 90 -5.825 -0.614 1.586 1.00 10.00 H new ATOM 0 HG11 VAL A 90 -6.633 -2.273 -0.041 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -6.847 -2.822 1.638 1.00 10.00 H new ATOM 0 HG13 VAL A 90 -8.243 -2.220 0.714 1.00 10.00 H new ATOM 0 HG21 VAL A 90 -6.721 0.114 -0.598 1.00 10.00 H new ATOM 0 HG22 VAL A 90 -8.332 0.300 0.136 1.00 10.00 H new ATOM 0 HG23 VAL A 90 -6.986 1.333 0.672 1.00 10.00 H new ATOM 1157 N TYR A 91 -9.760 0.782 2.526 1.00 10.00 N ATOM 1158 CA TYR A 91 -11.198 0.921 2.323 1.00 10.00 C ATOM 1159 C TYR A 91 -11.493 2.099 1.408 1.00 10.00 C ATOM 1160 O TYR A 91 -10.648 2.976 1.229 1.00 10.00 O ATOM 1161 CB TYR A 91 -11.916 1.112 3.660 1.00 10.00 C ATOM 1162 CG TYR A 91 -11.871 -0.102 4.559 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -12.594 -1.246 4.255 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -11.106 -0.099 5.720 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -12.560 -2.352 5.082 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -11.065 -1.202 6.550 1.00 10.00 C ATOM 1167 CZ TYR A 91 -11.794 -2.325 6.228 1.00 10.00 C ATOM 1168 OH TYR A 91 -11.763 -3.424 7.056 1.00 10.00 O ATOM 0 H TYR A 91 -9.274 1.661 2.706 1.00 10.00 H new ATOM 0 HA TYR A 91 -11.564 0.007 1.855 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -11.468 1.957 4.184 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -12.957 1.371 3.468 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -13.193 -1.273 3.357 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -10.534 0.781 5.977 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -13.131 -3.234 4.832 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -10.464 -1.184 7.447 1.00 10.00 H new ATOM 0 HH TYR A 91 -11.175 -3.242 7.819 1.00 10.00 H new ATOM 1178 N GLN A 92 -12.685 2.114 0.832 1.00 10.00 N ATOM 1179 CA GLN A 92 -13.085 3.190 -0.060 1.00 10.00 C ATOM 1180 C GLN A 92 -13.409 4.448 0.736 1.00 10.00 C ATOM 1181 O GLN A 92 -14.107 4.388 1.752 1.00 10.00 O ATOM 1182 CB GLN A 92 -14.290 2.766 -0.893 1.00 10.00 C ATOM 1183 CG GLN A 92 -14.462 3.565 -2.174 1.00 10.00 C ATOM 1184 CD GLN A 92 -15.610 3.055 -3.016 1.00 10.00 C ATOM 1185 OE1 GLN A 92 -15.437 2.174 -3.859 1.00 10.00 O ATOM 1186 NE2 GLN A 92 -16.793 3.605 -2.796 1.00 10.00 N ATOM 0 H GLN A 92 -13.393 1.392 0.967 1.00 10.00 H new ATOM 0 HA GLN A 92 -12.256 3.409 -0.732 1.00 10.00 H new ATOM 0 HB2 GLN A 92 -14.192 1.710 -1.145 1.00 10.00 H new ATOM 0 HB3 GLN A 92 -15.191 2.868 -0.289 1.00 10.00 H new ATOM 0 HG2 GLN A 92 -14.633 4.613 -1.926 1.00 10.00 H new ATOM 0 HG3 GLN A 92 -13.540 3.521 -2.754 1.00 10.00 H new ATOM 0 HE21 GLN A 92 -16.894 4.332 -2.088 1.00 10.00 H new ATOM 0 HE22 GLN A 92 -17.605 3.302 -3.334 1.00 10.00 H new ATOM 1195 N GLU A 93 -12.900 5.578 0.272 1.00 10.00 N ATOM 1196 CA GLU A 93 -13.114 6.853 0.943 1.00 10.00 C ATOM 1197 C GLU A 93 -14.515 7.392 0.700 1.00 10.00 C ATOM 1198 O GLU A 93 -15.140 7.101 -0.322 1.00 10.00 O ATOM 1199 CB GLU A 93 -12.084 7.883 0.477 1.00 10.00 C ATOM 1200 CG GLU A 93 -10.766 7.798 1.223 1.00 10.00 C ATOM 1201 CD GLU A 93 -10.874 8.252 2.667 1.00 10.00 C ATOM 1202 OE1 GLU A 93 -11.775 7.769 3.386 1.00 10.00 O ATOM 1203 OE2 GLU A 93 -10.052 9.087 3.092 1.00 10.00 O ATOM 0 H GLU A 93 -12.332 5.639 -0.573 1.00 10.00 H new ATOM 0 HA GLU A 93 -12.997 6.677 2.012 1.00 10.00 H new ATOM 0 HB2 GLU A 93 -11.899 7.745 -0.588 1.00 10.00 H new ATOM 0 HB3 GLU A 93 -12.499 8.883 0.601 1.00 10.00 H new ATOM 0 HG2 GLU A 93 -10.405 6.770 1.197 1.00 10.00 H new ATOM 0 HG3 GLU A 93 -10.024 8.409 0.710 1.00 10.00 H new ATOM 1210 N GLN A 94 -14.987 8.200 1.639 1.00 10.00 N ATOM 1211 CA GLN A 94 -16.306 8.803 1.547 1.00 10.00 C ATOM 1212 C GLN A 94 -16.313 9.905 0.489 1.00 10.00 C ATOM 1213 O GLN A 94 -17.370 10.310 -0.002 1.00 10.00 O ATOM 1214 CB GLN A 94 -16.712 9.376 2.905 1.00 10.00 C ATOM 1215 CG GLN A 94 -18.162 9.832 2.971 1.00 10.00 C ATOM 1216 CD GLN A 94 -18.329 11.118 3.753 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -17.432 11.959 3.789 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -19.478 11.281 4.382 1.00 10.00 N ATOM 0 H GLN A 94 -14.469 8.454 2.480 1.00 10.00 H new ATOM 0 HA GLN A 94 -17.024 8.036 1.255 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -16.543 8.621 3.673 1.00 10.00 H new ATOM 0 HB3 GLN A 94 -16.064 10.220 3.141 1.00 10.00 H new ATOM 0 HG2 GLN A 94 -18.542 9.974 1.959 1.00 10.00 H new ATOM 0 HG3 GLN A 94 -18.765 9.049 3.431 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -20.196 10.559 4.327 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -19.647 12.129 4.923 1.00 10.00 H new ATOM 1227 N THR A 95 -15.125 10.379 0.138 1.00 10.00 N ATOM 1228 CA THR A 95 -14.973 11.423 -0.861 1.00 10.00 C ATOM 1229 C THR A 95 -15.169 10.870 -2.272 1.00 10.00 C ATOM 1230 O THR A 95 -15.392 11.620 -3.220 1.00 10.00 O ATOM 1231 CB THR A 95 -13.583 12.065 -0.758 1.00 10.00 C ATOM 1232 OG1 THR A 95 -12.717 11.215 0.013 1.00 10.00 O ATOM 1233 CG2 THR A 95 -13.664 13.437 -0.106 1.00 10.00 C ATOM 0 H THR A 95 -14.245 10.051 0.537 1.00 10.00 H new ATOM 0 HA THR A 95 -15.738 12.176 -0.669 1.00 10.00 H new ATOM 0 HB THR A 95 -13.183 12.186 -1.765 1.00 10.00 H new ATOM 0 HG1 THR A 95 -11.829 11.625 0.077 1.00 10.00 H new ATOM 0 HG21 THR A 95 -12.666 13.870 -0.045 1.00 10.00 H new ATOM 0 HG22 THR A 95 -14.305 14.086 -0.702 1.00 10.00 H new ATOM 0 HG23 THR A 95 -14.079 13.339 0.897 1.00 10.00 H new ATOM 1241 N GLY A 96 -15.073 9.553 -2.406 1.00 10.00 N ATOM 1242 CA GLY A 96 -15.247 8.923 -3.701 1.00 10.00 C ATOM 1243 C GLY A 96 -13.934 8.754 -4.437 1.00 10.00 C ATOM 1244 O GLY A 96 -13.620 7.665 -4.921 1.00 10.00 O ATOM 0 H GLY A 96 -14.877 8.909 -1.640 1.00 10.00 H new ATOM 0 HA2 GLY A 96 -15.715 7.948 -3.568 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -15.926 9.523 -4.307 1.00 10.00 H new ATOM 1248 N GLY A 97 -13.169 9.832 -4.520 1.00 10.00 N ATOM 1249 CA GLY A 97 -11.889 9.788 -5.200 1.00 10.00 C ATOM 1250 C GLY A 97 -11.580 11.080 -5.925 1.00 10.00 C ATOM 1251 O GLY A 97 -12.428 11.975 -5.989 1.00 10.00 O ATOM 0 H GLY A 97 -13.412 10.741 -4.127 1.00 10.00 H new ATOM 0 HA2 GLY A 97 -11.101 9.583 -4.475 1.00 10.00 H new ATOM 0 HA3 GLY A 97 -11.887 8.964 -5.913 1.00 10.00 H new TER 1255 GLY A 97 ATOM 1256 N ASP B 195 -7.033 -21.025 -4.307 1.00 10.00 N ATOM 1257 CA ASP B 195 -7.163 -19.628 -3.915 1.00 10.00 C ATOM 1258 C ASP B 195 -6.412 -18.740 -4.892 1.00 10.00 C ATOM 1259 O ASP B 195 -5.826 -19.231 -5.859 1.00 10.00 O ATOM 1260 CB ASP B 195 -6.639 -19.412 -2.498 1.00 10.00 C ATOM 1261 CG ASP B 195 -7.755 -19.171 -1.505 1.00 10.00 C ATOM 1262 OD1 ASP B 195 -8.150 -20.128 -0.806 1.00 10.00 O ATOM 1263 OD2 ASP B 195 -8.250 -18.025 -1.422 1.00 10.00 O ATOM 0 HA ASP B 195 -8.220 -19.363 -3.933 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -6.062 -20.284 -2.189 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -5.958 -18.561 -2.490 1.00 10.00 H new ATOM 1268 N THR B 196 -6.413 -17.443 -4.642 1.00 10.00 N ATOM 1269 CA THR B 196 -5.729 -16.518 -5.524 1.00 10.00 C ATOM 1270 C THR B 196 -4.633 -15.762 -4.783 1.00 10.00 C ATOM 1271 O THR B 196 -4.879 -15.162 -3.735 1.00 10.00 O ATOM 1272 CB THR B 196 -6.727 -15.500 -6.116 1.00 10.00 C ATOM 1273 OG1 THR B 196 -7.987 -16.140 -6.378 1.00 10.00 O ATOM 1274 CG2 THR B 196 -6.193 -14.883 -7.405 1.00 10.00 C ATOM 0 H THR B 196 -6.876 -17.010 -3.843 1.00 10.00 H new ATOM 0 HA THR B 196 -5.279 -17.102 -6.327 1.00 10.00 H new ATOM 0 HB THR B 196 -6.863 -14.704 -5.384 1.00 10.00 H new ATOM 0 HG1 THR B 196 -8.614 -15.486 -6.752 1.00 10.00 H new ATOM 0 HG21 THR B 196 -6.920 -14.171 -7.796 1.00 10.00 H new ATOM 0 HG22 THR B 196 -5.254 -14.368 -7.200 1.00 10.00 H new ATOM 0 HG23 THR B 196 -6.023 -15.669 -8.141 1.00 10.00 H new ATOM 1282 N ALA B 197 -3.425 -15.807 -5.320 1.00 10.00 N ATOM 1283 CA ALA B 197 -2.309 -15.094 -4.726 1.00 10.00 C ATOM 1284 C ALA B 197 -1.740 -14.122 -5.742 1.00 10.00 C ATOM 1285 O ALA B 197 -1.378 -14.514 -6.852 1.00 10.00 O ATOM 1286 CB ALA B 197 -1.236 -16.066 -4.255 1.00 10.00 C ATOM 0 H ALA B 197 -3.193 -16.329 -6.165 1.00 10.00 H new ATOM 0 HA ALA B 197 -2.661 -14.541 -3.855 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -0.409 -15.509 -3.813 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -1.658 -16.741 -3.510 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -0.871 -16.645 -5.104 1.00 10.00 H new ATOM 1292 N GLY B 198 -1.658 -12.863 -5.361 1.00 10.00 N ATOM 1293 CA GLY B 198 -1.137 -11.864 -6.264 1.00 10.00 C ATOM 1294 C GLY B 198 0.046 -11.129 -5.687 1.00 10.00 C ATOM 1295 O GLY B 198 -0.024 -10.636 -4.563 1.00 10.00 O ATOM 0 H GLY B 198 -1.941 -12.514 -4.446 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -0.844 -12.341 -7.199 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -1.924 -11.149 -6.504 1.00 10.00 H new ATOM 1299 N CYS B 199 1.126 -11.050 -6.442 1.00 10.00 N ATOM 1300 CA CYS B 199 2.299 -10.328 -5.988 1.00 10.00 C ATOM 1301 C CYS B 199 2.578 -9.190 -6.949 1.00 10.00 C ATOM 1302 O CYS B 199 2.699 -9.400 -8.160 1.00 10.00 O ATOM 1303 CB CYS B 199 3.504 -11.261 -5.897 1.00 10.00 C ATOM 1304 SG CYS B 199 3.211 -12.748 -4.902 1.00 10.00 S ATOM 0 H CYS B 199 1.215 -11.474 -7.366 1.00 10.00 H new ATOM 0 HA CYS B 199 2.114 -9.926 -4.992 1.00 10.00 H new ATOM 0 HB2 CYS B 199 3.795 -11.561 -6.904 1.00 10.00 H new ATOM 0 HB3 CYS B 199 4.345 -10.712 -5.473 1.00 10.00 H new ATOM 0 HG CYS B 199 4.287 -13.478 -4.885 1.00 10.00 H new ATOM 1310 N ILE B 200 2.681 -7.996 -6.414 1.00 10.00 N ATOM 1311 CA ILE B 200 2.912 -6.821 -7.229 1.00 10.00 C ATOM 1312 C ILE B 200 4.187 -6.093 -6.817 1.00 10.00 C ATOM 1313 O ILE B 200 4.409 -5.829 -5.635 1.00 10.00 O ATOM 1314 CB ILE B 200 1.696 -5.864 -7.172 1.00 10.00 C ATOM 1315 CG1 ILE B 200 2.066 -4.463 -7.681 1.00 10.00 C ATOM 1316 CG2 ILE B 200 1.127 -5.795 -5.758 1.00 10.00 C ATOM 1317 CD1 ILE B 200 0.911 -3.485 -7.651 1.00 10.00 C ATOM 0 H ILE B 200 2.608 -7.810 -5.414 1.00 10.00 H new ATOM 0 HA ILE B 200 3.041 -7.157 -8.258 1.00 10.00 H new ATOM 0 HB ILE B 200 0.925 -6.264 -7.831 1.00 10.00 H new ATOM 0 HG12 ILE B 200 2.882 -4.069 -7.075 1.00 10.00 H new ATOM 0 HG13 ILE B 200 2.438 -4.543 -8.703 1.00 10.00 H new ATOM 0 HG21 ILE B 200 0.274 -5.117 -5.742 1.00 10.00 H new ATOM 0 HG22 ILE B 200 0.807 -6.789 -5.446 1.00 10.00 H new ATOM 0 HG23 ILE B 200 1.894 -5.430 -5.075 1.00 10.00 H new ATOM 0 HD11 ILE B 200 1.244 -2.517 -8.024 1.00 10.00 H new ATOM 0 HD12 ILE B 200 0.103 -3.857 -8.280 1.00 10.00 H new ATOM 0 HD13 ILE B 200 0.553 -3.376 -6.627 1.00 10.00 H new ATOM 1329 N VAL B 201 5.025 -5.789 -7.799 1.00 10.00 N ATOM 1330 CA VAL B 201 6.274 -5.093 -7.547 1.00 10.00 C ATOM 1331 C VAL B 201 6.317 -3.776 -8.311 1.00 10.00 C ATOM 1332 O VAL B 201 6.018 -3.713 -9.508 1.00 10.00 O ATOM 1333 CB VAL B 201 7.509 -5.953 -7.896 1.00 10.00 C ATOM 1334 CG1 VAL B 201 7.406 -6.511 -9.310 1.00 10.00 C ATOM 1335 CG2 VAL B 201 8.792 -5.150 -7.712 1.00 10.00 C ATOM 0 H VAL B 201 4.859 -6.015 -8.780 1.00 10.00 H new ATOM 0 HA VAL B 201 6.313 -4.889 -6.477 1.00 10.00 H new ATOM 0 HB VAL B 201 7.539 -6.799 -7.210 1.00 10.00 H new ATOM 0 HG11 VAL B 201 8.288 -7.112 -9.529 1.00 10.00 H new ATOM 0 HG12 VAL B 201 6.514 -7.132 -9.392 1.00 10.00 H new ATOM 0 HG13 VAL B 201 7.342 -5.688 -10.022 1.00 10.00 H new ATOM 0 HG21 VAL B 201 9.650 -5.773 -7.963 1.00 10.00 H new ATOM 0 HG22 VAL B 201 8.773 -4.278 -8.366 1.00 10.00 H new ATOM 0 HG23 VAL B 201 8.871 -4.823 -6.675 1.00 10.00 H new ATOM 1345 N ILE B 202 6.661 -2.727 -7.592 1.00 10.00 N ATOM 1346 CA ILE B 202 6.766 -1.387 -8.143 1.00 10.00 C ATOM 1347 C ILE B 202 8.177 -0.886 -7.936 1.00 10.00 C ATOM 1348 O ILE B 202 8.717 -1.024 -6.842 1.00 10.00 O ATOM 1349 CB ILE B 202 5.769 -0.415 -7.460 1.00 10.00 C ATOM 1350 CG1 ILE B 202 6.308 1.028 -7.468 1.00 10.00 C ATOM 1351 CG2 ILE B 202 5.497 -0.870 -6.034 1.00 10.00 C ATOM 1352 CD1 ILE B 202 5.467 2.002 -6.675 1.00 10.00 C ATOM 0 H ILE B 202 6.878 -2.779 -6.597 1.00 10.00 H new ATOM 0 HA ILE B 202 6.524 -1.427 -9.205 1.00 10.00 H new ATOM 0 HB ILE B 202 4.836 -0.428 -8.024 1.00 10.00 H new ATOM 0 HG12 ILE B 202 7.322 1.029 -7.067 1.00 10.00 H new ATOM 0 HG13 ILE B 202 6.373 1.375 -8.499 1.00 10.00 H new ATOM 0 HG21 ILE B 202 4.796 -0.183 -5.560 1.00 10.00 H new ATOM 0 HG22 ILE B 202 5.069 -1.873 -6.047 1.00 10.00 H new ATOM 0 HG23 ILE B 202 6.430 -0.881 -5.471 1.00 10.00 H new ATOM 0 HD11 ILE B 202 5.912 2.995 -6.730 1.00 10.00 H new ATOM 0 HD12 ILE B 202 4.459 2.033 -7.088 1.00 10.00 H new ATOM 0 HD13 ILE B 202 5.423 1.681 -5.634 1.00 10.00 H new HETATM 1364 N SEP B 203 8.794 -0.331 -8.961 1.00 10.00 N HETATM 1365 CA SEP B 203 10.142 0.161 -8.790 1.00 10.00 C HETATM 1366 CB SEP B 203 11.039 -0.573 -9.774 1.00 10.00 C HETATM 1367 OG SEP B 203 12.417 -0.405 -9.479 1.00 10.00 O HETATM 1368 C SEP B 203 10.206 1.659 -9.024 1.00 10.00 C HETATM 1369 O SEP B 203 9.882 2.166 -10.103 1.00 10.00 O HETATM 1370 P SEP B 203 13.086 -1.215 -8.275 1.00 10.00 P HETATM 1371 O1P SEP B 203 14.524 -1.470 -8.465 1.00 10.00 O HETATM 1372 O2P SEP B 203 12.329 -2.396 -7.831 1.00 10.00 O HETATM 1373 O3P SEP B 203 13.025 -0.206 -7.041 1.00 10.00 O HETATM 0 HB3 SEP B 203 10.794 -1.635 -9.762 1.00 10.00 H new HETATM 0 HB2 SEP B 203 10.839 -0.212 -10.783 1.00 10.00 H new HETATM 0 HA SEP B 203 10.476 -0.021 -7.768 1.00 10.00 H new ATOM 1378 N ASP B 204 10.591 2.360 -7.974 1.00 10.00 N ATOM 1379 CA ASP B 204 10.741 3.796 -8.020 1.00 10.00 C ATOM 1380 C ASP B 204 12.048 4.239 -7.383 1.00 10.00 C ATOM 1381 O ASP B 204 12.377 3.802 -6.289 1.00 10.00 O ATOM 1382 CB ASP B 204 9.563 4.481 -7.364 1.00 10.00 C ATOM 1383 CG ASP B 204 9.201 5.772 -8.070 1.00 10.00 C ATOM 1384 OD1 ASP B 204 10.121 6.515 -8.472 1.00 10.00 O ATOM 1385 OD2 ASP B 204 8.000 6.044 -8.242 1.00 10.00 O ATOM 0 H ASP B 204 10.808 1.947 -7.067 1.00 10.00 H new ATOM 0 HA ASP B 204 10.768 4.092 -9.069 1.00 10.00 H new ATOM 0 HB2 ASP B 204 8.704 3.811 -7.368 1.00 10.00 H new ATOM 0 HB3 ASP B 204 9.799 4.691 -6.321 1.00 10.00 H new HETATM 1390 N SEP B 205 12.802 5.087 -8.039 1.00 10.00 N HETATM 1391 CA SEP B 205 14.050 5.553 -7.463 1.00 10.00 C HETATM 1392 CB SEP B 205 15.211 5.039 -8.268 1.00 10.00 C HETATM 1393 OG SEP B 205 15.998 4.106 -7.530 1.00 10.00 O HETATM 1394 C SEP B 205 14.120 7.076 -7.375 1.00 10.00 C HETATM 1395 O SEP B 205 13.818 7.772 -8.342 1.00 10.00 O HETATM 1396 P SEP B 205 17.591 4.217 -7.539 1.00 10.00 P HETATM 1397 O1P SEP B 205 18.016 3.696 -8.987 1.00 10.00 O HETATM 1398 O2P SEP B 205 18.267 3.292 -6.612 1.00 10.00 O HETATM 1399 O3P SEP B 205 18.106 5.593 -7.485 1.00 10.00 O HETATM 0 HB3 SEP B 205 14.841 4.563 -9.176 1.00 10.00 H new HETATM 0 HB2 SEP B 205 15.836 5.876 -8.579 1.00 10.00 H new HETATM 0 HA SEP B 205 14.099 5.164 -6.446 1.00 10.00 H new ATOM 1404 N GLU B 206 14.513 7.594 -6.217 1.00 10.00 N ATOM 1405 CA GLU B 206 14.655 9.032 -6.029 1.00 10.00 C ATOM 1406 C GLU B 206 16.068 9.493 -6.387 1.00 10.00 C ATOM 1407 O GLU B 206 16.971 8.672 -6.571 1.00 10.00 O ATOM 1408 CB GLU B 206 14.345 9.402 -4.584 1.00 10.00 C ATOM 1409 CG GLU B 206 14.522 10.880 -4.283 1.00 10.00 C ATOM 1410 CD GLU B 206 13.505 11.762 -4.981 1.00 10.00 C ATOM 1411 OE1 GLU B 206 13.272 12.888 -4.498 1.00 10.00 O ATOM 1412 OE2 GLU B 206 12.932 11.339 -6.009 1.00 10.00 O ATOM 0 H GLU B 206 14.739 7.038 -5.393 1.00 10.00 H new ATOM 0 HA GLU B 206 13.949 9.533 -6.692 1.00 10.00 H new ATOM 0 HB2 GLU B 206 13.319 9.114 -4.356 1.00 10.00 H new ATOM 0 HB3 GLU B 206 14.992 8.825 -3.923 1.00 10.00 H new ATOM 0 HG2 GLU B 206 14.449 11.035 -3.207 1.00 10.00 H new ATOM 0 HG3 GLU B 206 15.524 11.187 -4.582 1.00 10.00 H new TER 1419 GLU B 206