USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 683 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 57 GLN : amide:sc= 0.692 K(o=1.5,f=-2.2) USER MOD Set 1.2: A 88 GLN : amide:sc= 0.792 K(o=1.5,f=-3.3!) USER MOD Set 2.1: A 19 ASN : amide:sc= 0.174 K(o=-0.043,f=-3.5!) USER MOD Set 2.2: A 31 GLN : amide:sc= -0.217! K(o=-0.043!,f=-0.89) USER MOD Single : A 17 HIS : no HD1:sc= -2.67! X(o=-2.7!,f=-2.4) USER MOD Single : A 21 LYS NZ :NH3+ -175:sc= 1.2 (180deg=1.07) USER MOD Single : A 25 GLN : amide:sc= 1.08 K(o=1.1,f=-0.56) USER MOD Single : A 28 SER OG : rot -75:sc= 0.42 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -177:sc= 0.516 (180deg=0.426) USER MOD Single : A 37 HIS : no HD1:sc= -0.441 K(o=-0.44,f=-1.2) USER MOD Single : A 38 THR OG1 : rot -177:sc= -1.92! USER MOD Single : A 41 SER OG : rot 180:sc= -0.616 USER MOD Single : A 42 LYS NZ :NH3+ -150:sc= 2.22 (180deg=1.63) USER MOD Single : A 44 MET CE :methyl -171:sc= -0.138 (180deg=-0.253) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -38:sc= -0.498 USER MOD Single : A 51 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.23) USER MOD Single : A 54 SER OG : rot 180:sc= 0.0218 USER MOD Single : A 55 MET CE :methyl 167:sc= -0.0115 (180deg=-0.254) USER MOD Single : A 65 GLN : amide:sc= 0.0292 X(o=0.029,f=-0.4) USER MOD Single : A 68 ASN : amide:sc= 1.16 K(o=1.2,f=-0.15) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0229 USER MOD Single : A 75 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.58) USER MOD Single : A 78 MET CE :methyl 159:sc= -1.24 (180deg=-2.25) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.0462 K(o=0.046,f=-2.4) USER MOD Single : A 90 GLN : amide:sc= -0.189 K(o=-0.19,f=-2.9!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.122 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD Single : B 199 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 10.897 14.497 0.398 1.00 10.00 N ATOM 2 CA ASP A 16 9.516 14.915 0.621 1.00 10.00 C ATOM 3 C ASP A 16 8.567 13.732 0.470 1.00 10.00 C ATOM 4 O ASP A 16 8.561 13.055 -0.560 1.00 10.00 O ATOM 5 CB ASP A 16 9.133 16.019 -0.365 1.00 10.00 C ATOM 6 CG ASP A 16 8.114 16.985 0.209 1.00 10.00 C ATOM 7 OD1 ASP A 16 6.900 16.713 0.112 1.00 10.00 O ATOM 8 OD2 ASP A 16 8.524 18.030 0.754 1.00 10.00 O ATOM 0 HA ASP A 16 9.434 15.301 1.637 1.00 10.00 H new ATOM 0 HB2 ASP A 16 10.028 16.570 -0.654 1.00 10.00 H new ATOM 0 HB3 ASP A 16 8.730 15.568 -1.272 1.00 10.00 H new ATOM 13 N HIS A 17 7.783 13.476 1.503 1.00 10.00 N ATOM 14 CA HIS A 17 6.831 12.375 1.483 1.00 10.00 C ATOM 15 C HIS A 17 5.440 12.884 1.148 1.00 10.00 C ATOM 16 O HIS A 17 4.984 13.883 1.707 1.00 10.00 O ATOM 17 CB HIS A 17 6.801 11.660 2.836 1.00 10.00 C ATOM 18 CG HIS A 17 7.738 10.493 2.937 1.00 10.00 C ATOM 19 ND1 HIS A 17 8.902 10.572 3.663 1.00 10.00 N ATOM 20 CD2 HIS A 17 7.622 9.239 2.425 1.00 10.00 C ATOM 21 CE1 HIS A 17 9.466 9.380 3.582 1.00 10.00 C ATOM 22 NE2 HIS A 17 8.728 8.544 2.839 1.00 10.00 N ATOM 0 H HIS A 17 7.786 14.016 2.368 1.00 10.00 H new ATOM 0 HA HIS A 17 7.150 11.668 0.717 1.00 10.00 H new ATOM 0 HB2 HIS A 17 7.047 12.378 3.619 1.00 10.00 H new ATOM 0 HB3 HIS A 17 5.786 11.314 3.029 1.00 10.00 H new ATOM 0 HD2 HIS A 17 6.816 8.864 1.812 1.00 10.00 H new ATOM 0 HE1 HIS A 17 10.401 9.114 4.053 1.00 10.00 H new ATOM 0 HE2 HIS A 17 8.948 7.572 2.622 1.00 10.00 H new ATOM 30 N ILE A 18 4.769 12.199 0.238 1.00 10.00 N ATOM 31 CA ILE A 18 3.427 12.582 -0.165 1.00 10.00 C ATOM 32 C ILE A 18 2.409 11.647 0.483 1.00 10.00 C ATOM 33 O ILE A 18 2.561 10.423 0.451 1.00 10.00 O ATOM 34 CB ILE A 18 3.278 12.582 -1.710 1.00 10.00 C ATOM 35 CG1 ILE A 18 1.861 12.989 -2.123 1.00 10.00 C ATOM 36 CG2 ILE A 18 3.637 11.225 -2.301 1.00 10.00 C ATOM 37 CD1 ILE A 18 1.667 13.052 -3.622 1.00 10.00 C ATOM 0 H ILE A 18 5.133 11.373 -0.237 1.00 10.00 H new ATOM 0 HA ILE A 18 3.240 13.600 0.176 1.00 10.00 H new ATOM 0 HB ILE A 18 3.977 13.318 -2.107 1.00 10.00 H new ATOM 0 HG12 ILE A 18 1.150 12.279 -1.702 1.00 10.00 H new ATOM 0 HG13 ILE A 18 1.631 13.964 -1.693 1.00 10.00 H new ATOM 0 HG21 ILE A 18 3.522 11.258 -3.384 1.00 10.00 H new ATOM 0 HG22 ILE A 18 4.670 10.982 -2.053 1.00 10.00 H new ATOM 0 HG23 ILE A 18 2.976 10.462 -1.889 1.00 10.00 H new ATOM 0 HD11 ILE A 18 0.641 13.346 -3.844 1.00 10.00 H new ATOM 0 HD12 ILE A 18 2.354 13.783 -4.047 1.00 10.00 H new ATOM 0 HD13 ILE A 18 1.865 12.072 -4.056 1.00 10.00 H new ATOM 49 N ASN A 19 1.389 12.225 1.096 1.00 10.00 N ATOM 50 CA ASN A 19 0.365 11.441 1.770 1.00 10.00 C ATOM 51 C ASN A 19 -0.869 11.287 0.895 1.00 10.00 C ATOM 52 O ASN A 19 -1.562 12.263 0.599 1.00 10.00 O ATOM 53 CB ASN A 19 -0.012 12.087 3.105 1.00 10.00 C ATOM 54 CG ASN A 19 0.948 11.721 4.221 1.00 10.00 C ATOM 55 OD1 ASN A 19 0.820 10.670 4.848 1.00 10.00 O ATOM 56 ND2 ASN A 19 1.908 12.592 4.489 1.00 10.00 N ATOM 0 H ASN A 19 1.247 13.234 1.141 1.00 10.00 H new ATOM 0 HA ASN A 19 0.774 10.449 1.962 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -0.031 13.171 2.988 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -1.020 11.779 3.382 1.00 10.00 H new ATOM 0 HD21 ASN A 19 2.574 12.402 5.238 1.00 10.00 H new ATOM 0 HD22 ASN A 19 1.982 13.453 3.947 1.00 10.00 H new ATOM 63 N LEU A 20 -1.132 10.056 0.483 1.00 10.00 N ATOM 64 CA LEU A 20 -2.277 9.750 -0.362 1.00 10.00 C ATOM 65 C LEU A 20 -3.413 9.184 0.482 1.00 10.00 C ATOM 66 O LEU A 20 -3.171 8.487 1.467 1.00 10.00 O ATOM 67 CB LEU A 20 -1.883 8.749 -1.459 1.00 10.00 C ATOM 68 CG LEU A 20 -0.721 9.181 -2.362 1.00 10.00 C ATOM 69 CD1 LEU A 20 0.605 8.698 -1.799 1.00 10.00 C ATOM 70 CD2 LEU A 20 -0.916 8.650 -3.771 1.00 10.00 C ATOM 0 H LEU A 20 -0.562 9.245 0.723 1.00 10.00 H new ATOM 0 HA LEU A 20 -2.614 10.671 -0.838 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -1.620 7.803 -0.986 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -2.755 8.560 -2.085 1.00 10.00 H new ATOM 0 HG LEU A 20 -0.706 10.270 -2.398 1.00 10.00 H new ATOM 0 HD11 LEU A 20 1.416 9.015 -2.455 1.00 10.00 H new ATOM 0 HD12 LEU A 20 0.755 9.122 -0.806 1.00 10.00 H new ATOM 0 HD13 LEU A 20 0.597 7.610 -1.732 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -0.082 8.966 -4.398 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -0.959 7.561 -3.747 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -1.847 9.041 -4.182 1.00 10.00 H new ATOM 82 N LYS A 21 -4.645 9.488 0.107 1.00 10.00 N ATOM 83 CA LYS A 21 -5.805 9.004 0.842 1.00 10.00 C ATOM 84 C LYS A 21 -6.508 7.891 0.075 1.00 10.00 C ATOM 85 O LYS A 21 -6.999 8.104 -1.033 1.00 10.00 O ATOM 86 CB LYS A 21 -6.807 10.136 1.095 1.00 10.00 C ATOM 87 CG LYS A 21 -6.237 11.342 1.824 1.00 10.00 C ATOM 88 CD LYS A 21 -7.282 12.443 1.924 1.00 10.00 C ATOM 89 CE LYS A 21 -6.741 13.694 2.595 1.00 10.00 C ATOM 90 NZ LYS A 21 -7.730 14.807 2.575 1.00 10.00 N ATOM 0 H LYS A 21 -4.869 10.068 -0.702 1.00 10.00 H new ATOM 0 HA LYS A 21 -5.445 8.619 1.796 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -7.211 10.465 0.138 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -7.642 9.741 1.674 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -5.910 11.051 2.822 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -5.358 11.712 1.296 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -7.638 12.695 0.925 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -8.141 12.075 2.485 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -6.473 13.465 3.626 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -5.828 14.011 2.091 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -7.293 15.666 2.966 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -8.031 14.986 1.596 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -8.557 14.547 3.150 1.00 10.00 H new ATOM 104 N VAL A 22 -6.543 6.706 0.657 1.00 10.00 N ATOM 105 CA VAL A 22 -7.216 5.576 0.045 1.00 10.00 C ATOM 106 C VAL A 22 -8.631 5.487 0.605 1.00 10.00 C ATOM 107 O VAL A 22 -8.821 5.415 1.821 1.00 10.00 O ATOM 108 CB VAL A 22 -6.443 4.263 0.297 1.00 10.00 C ATOM 109 CG1 VAL A 22 -7.284 3.048 -0.059 1.00 10.00 C ATOM 110 CG2 VAL A 22 -5.140 4.257 -0.489 1.00 10.00 C ATOM 0 H VAL A 22 -6.110 6.501 1.558 1.00 10.00 H new ATOM 0 HA VAL A 22 -7.257 5.723 -1.034 1.00 10.00 H new ATOM 0 HB VAL A 22 -6.213 4.208 1.361 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -6.711 2.141 0.130 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -8.188 3.040 0.550 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -7.558 3.091 -1.113 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -4.606 3.325 -0.301 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -5.357 4.343 -1.554 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -4.522 5.099 -0.176 1.00 10.00 H new ATOM 120 N ALA A 23 -9.618 5.525 -0.281 1.00 10.00 N ATOM 121 CA ALA A 23 -11.012 5.484 0.134 1.00 10.00 C ATOM 122 C ALA A 23 -11.668 4.153 -0.198 1.00 10.00 C ATOM 123 O ALA A 23 -11.819 3.793 -1.370 1.00 10.00 O ATOM 124 CB ALA A 23 -11.782 6.627 -0.512 1.00 10.00 C ATOM 0 H ALA A 23 -9.478 5.584 -1.290 1.00 10.00 H new ATOM 0 HA ALA A 23 -11.036 5.596 1.218 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -12.824 6.588 -0.196 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.345 7.578 -0.207 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -11.728 6.534 -1.597 1.00 10.00 H new ATOM 130 N GLY A 24 -12.056 3.429 0.841 1.00 10.00 N ATOM 131 CA GLY A 24 -12.710 2.153 0.655 1.00 10.00 C ATOM 132 C GLY A 24 -14.212 2.303 0.538 1.00 10.00 C ATOM 133 O GLY A 24 -14.765 3.352 0.875 1.00 10.00 O ATOM 0 H GLY A 24 -11.928 3.705 1.814 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -12.322 1.673 -0.243 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -12.474 1.498 1.494 1.00 10.00 H new ATOM 137 N GLN A 25 -14.881 1.251 0.083 1.00 10.00 N ATOM 138 CA GLN A 25 -16.332 1.281 -0.085 1.00 10.00 C ATOM 139 C GLN A 25 -17.036 1.082 1.252 1.00 10.00 C ATOM 140 O GLN A 25 -18.248 1.260 1.364 1.00 10.00 O ATOM 141 CB GLN A 25 -16.781 0.206 -1.083 1.00 10.00 C ATOM 142 CG GLN A 25 -16.003 0.229 -2.389 1.00 10.00 C ATOM 143 CD GLN A 25 -15.972 1.600 -3.034 1.00 10.00 C ATOM 144 OE1 GLN A 25 -16.937 2.362 -2.964 1.00 10.00 O ATOM 145 NE2 GLN A 25 -14.852 1.929 -3.652 1.00 10.00 N ATOM 0 H GLN A 25 -14.444 0.366 -0.177 1.00 10.00 H new ATOM 0 HA GLN A 25 -16.606 2.260 -0.478 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -16.672 -0.775 -0.621 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -17.841 0.341 -1.298 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -14.981 -0.102 -2.203 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -16.448 -0.484 -3.084 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -14.076 1.268 -3.687 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -14.763 2.844 -4.094 1.00 10.00 H new ATOM 154 N ASP A 26 -16.267 0.722 2.266 1.00 10.00 N ATOM 155 CA ASP A 26 -16.808 0.498 3.601 1.00 10.00 C ATOM 156 C ASP A 26 -16.748 1.774 4.435 1.00 10.00 C ATOM 157 O ASP A 26 -17.287 1.828 5.542 1.00 10.00 O ATOM 158 CB ASP A 26 -16.036 -0.619 4.302 1.00 10.00 C ATOM 159 CG ASP A 26 -14.591 -0.243 4.546 1.00 10.00 C ATOM 160 OD1 ASP A 26 -13.856 -0.023 3.560 1.00 10.00 O ATOM 161 OD2 ASP A 26 -14.188 -0.147 5.720 1.00 10.00 O ATOM 0 H ASP A 26 -15.260 0.577 2.192 1.00 10.00 H new ATOM 0 HA ASP A 26 -17.852 0.203 3.499 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -16.516 -0.850 5.253 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -16.078 -1.524 3.696 1.00 10.00 H new ATOM 166 N GLY A 27 -16.090 2.799 3.902 1.00 10.00 N ATOM 167 CA GLY A 27 -15.981 4.067 4.612 1.00 10.00 C ATOM 168 C GLY A 27 -14.660 4.229 5.339 1.00 10.00 C ATOM 169 O GLY A 27 -14.458 5.209 6.057 1.00 10.00 O ATOM 0 H GLY A 27 -15.630 2.777 2.992 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -16.101 4.886 3.902 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -16.797 4.146 5.331 1.00 10.00 H new ATOM 173 N SER A 28 -13.765 3.270 5.160 1.00 10.00 N ATOM 174 CA SER A 28 -12.455 3.310 5.796 1.00 10.00 C ATOM 175 C SER A 28 -11.558 4.346 5.118 1.00 10.00 C ATOM 176 O SER A 28 -11.647 4.561 3.906 1.00 10.00 O ATOM 177 CB SER A 28 -11.803 1.930 5.714 1.00 10.00 C ATOM 178 OG SER A 28 -11.831 1.429 4.384 1.00 10.00 O ATOM 0 H SER A 28 -13.922 2.449 4.576 1.00 10.00 H new ATOM 0 HA SER A 28 -12.583 3.593 6.841 1.00 10.00 H new ATOM 0 HB2 SER A 28 -10.772 1.990 6.061 1.00 10.00 H new ATOM 0 HB3 SER A 28 -12.323 1.239 6.377 1.00 10.00 H new ATOM 0 HG SER A 28 -12.737 1.123 4.169 1.00 10.00 H new ATOM 184 N VAL A 29 -10.711 4.998 5.900 1.00 10.00 N ATOM 185 CA VAL A 29 -9.789 5.986 5.367 1.00 10.00 C ATOM 186 C VAL A 29 -8.353 5.573 5.679 1.00 10.00 C ATOM 187 O VAL A 29 -7.939 5.518 6.842 1.00 10.00 O ATOM 188 CB VAL A 29 -10.085 7.412 5.909 1.00 10.00 C ATOM 189 CG1 VAL A 29 -10.228 7.416 7.425 1.00 10.00 C ATOM 190 CG2 VAL A 29 -9.009 8.394 5.468 1.00 10.00 C ATOM 0 H VAL A 29 -10.644 4.859 6.908 1.00 10.00 H new ATOM 0 HA VAL A 29 -9.925 6.025 4.286 1.00 10.00 H new ATOM 0 HB VAL A 29 -11.037 7.732 5.486 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -10.434 8.430 7.768 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -11.049 6.760 7.715 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -9.303 7.061 7.879 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -9.238 9.385 5.860 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -8.041 8.068 5.849 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -8.976 8.433 4.379 1.00 10.00 H new ATOM 200 N VAL A 30 -7.604 5.240 4.639 1.00 10.00 N ATOM 201 CA VAL A 30 -6.223 4.822 4.807 1.00 10.00 C ATOM 202 C VAL A 30 -5.270 5.864 4.229 1.00 10.00 C ATOM 203 O VAL A 30 -5.378 6.247 3.066 1.00 10.00 O ATOM 204 CB VAL A 30 -5.957 3.449 4.146 1.00 10.00 C ATOM 205 CG1 VAL A 30 -4.539 2.972 4.430 1.00 10.00 C ATOM 206 CG2 VAL A 30 -6.975 2.419 4.620 1.00 10.00 C ATOM 0 H VAL A 30 -7.929 5.251 3.672 1.00 10.00 H new ATOM 0 HA VAL A 30 -6.044 4.725 5.878 1.00 10.00 H new ATOM 0 HB VAL A 30 -6.063 3.567 3.068 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -4.378 2.005 3.954 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -3.826 3.695 4.033 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -4.397 2.875 5.506 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -6.771 1.460 4.144 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -6.905 2.309 5.702 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -7.979 2.750 4.354 1.00 10.00 H new ATOM 216 N GLN A 31 -4.350 6.322 5.061 1.00 10.00 N ATOM 217 CA GLN A 31 -3.368 7.317 4.664 1.00 10.00 C ATOM 218 C GLN A 31 -2.077 6.627 4.239 1.00 10.00 C ATOM 219 O GLN A 31 -1.391 6.007 5.055 1.00 10.00 O ATOM 220 CB GLN A 31 -3.106 8.282 5.824 1.00 10.00 C ATOM 221 CG GLN A 31 -2.381 9.556 5.419 1.00 10.00 C ATOM 222 CD GLN A 31 -2.281 10.551 6.559 1.00 10.00 C ATOM 223 OE1 GLN A 31 -3.153 10.618 7.423 1.00 10.00 O ATOM 224 NE2 GLN A 31 -1.210 11.322 6.577 1.00 10.00 N ATOM 0 H GLN A 31 -4.263 6.015 6.030 1.00 10.00 H new ATOM 0 HA GLN A 31 -3.753 7.887 3.819 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -4.058 8.549 6.283 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -2.518 7.768 6.585 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -1.379 9.306 5.070 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -2.904 10.018 4.582 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -0.508 11.237 5.842 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -1.084 12.003 7.326 1.00 10.00 H new ATOM 233 N PHE A 32 -1.767 6.719 2.958 1.00 10.00 N ATOM 234 CA PHE A 32 -0.575 6.103 2.406 1.00 10.00 C ATOM 235 C PHE A 32 0.559 7.113 2.297 1.00 10.00 C ATOM 236 O PHE A 32 0.511 8.023 1.471 1.00 10.00 O ATOM 237 CB PHE A 32 -0.879 5.526 1.024 1.00 10.00 C ATOM 238 CG PHE A 32 -1.129 4.045 1.027 1.00 10.00 C ATOM 239 CD1 PHE A 32 -2.361 3.535 1.400 1.00 10.00 C ATOM 240 CD2 PHE A 32 -0.131 3.165 0.647 1.00 10.00 C ATOM 241 CE1 PHE A 32 -2.592 2.173 1.393 1.00 10.00 C ATOM 242 CE2 PHE A 32 -0.355 1.803 0.640 1.00 10.00 C ATOM 243 CZ PHE A 32 -1.588 1.306 1.013 1.00 10.00 C ATOM 0 H PHE A 32 -2.333 7.221 2.274 1.00 10.00 H new ATOM 0 HA PHE A 32 -0.264 5.302 3.077 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -1.753 6.032 0.614 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -0.044 5.743 0.358 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -3.150 4.209 1.700 1.00 10.00 H new ATOM 0 HD2 PHE A 32 0.835 3.548 0.352 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -3.558 1.787 1.685 1.00 10.00 H new ATOM 0 HE2 PHE A 32 0.433 1.127 0.343 1.00 10.00 H new ATOM 0 HZ PHE A 32 -1.766 0.241 1.007 1.00 10.00 H new ATOM 253 N LYS A 33 1.565 6.955 3.139 1.00 10.00 N ATOM 254 CA LYS A 33 2.720 7.834 3.121 1.00 10.00 C ATOM 255 C LYS A 33 3.795 7.215 2.239 1.00 10.00 C ATOM 256 O LYS A 33 4.466 6.262 2.637 1.00 10.00 O ATOM 257 CB LYS A 33 3.245 8.062 4.544 1.00 10.00 C ATOM 258 CG LYS A 33 4.514 8.897 4.603 1.00 10.00 C ATOM 259 CD LYS A 33 4.837 9.332 6.022 1.00 10.00 C ATOM 260 CE LYS A 33 6.146 10.103 6.076 1.00 10.00 C ATOM 261 NZ LYS A 33 6.404 10.687 7.416 1.00 10.00 N ATOM 0 H LYS A 33 1.605 6.222 3.847 1.00 10.00 H new ATOM 0 HA LYS A 33 2.436 8.805 2.715 1.00 10.00 H new ATOM 0 HB2 LYS A 33 2.470 8.553 5.133 1.00 10.00 H new ATOM 0 HB3 LYS A 33 3.435 7.095 5.010 1.00 10.00 H new ATOM 0 HG2 LYS A 33 5.347 8.321 4.201 1.00 10.00 H new ATOM 0 HG3 LYS A 33 4.400 9.777 3.970 1.00 10.00 H new ATOM 0 HD2 LYS A 33 4.029 9.954 6.407 1.00 10.00 H new ATOM 0 HD3 LYS A 33 4.901 8.456 6.668 1.00 10.00 H new ATOM 0 HE2 LYS A 33 6.967 9.438 5.808 1.00 10.00 H new ATOM 0 HE3 LYS A 33 6.126 10.900 5.333 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 7.307 11.202 7.402 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 5.635 11.342 7.663 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 6.451 9.926 8.123 1.00 10.00 H new ATOM 275 N ILE A 34 3.920 7.728 1.023 1.00 10.00 N ATOM 276 CA ILE A 34 4.897 7.210 0.071 1.00 10.00 C ATOM 277 C ILE A 34 5.674 8.362 -0.563 1.00 10.00 C ATOM 278 O ILE A 34 5.325 9.525 -0.378 1.00 10.00 O ATOM 279 CB ILE A 34 4.212 6.329 -1.027 1.00 10.00 C ATOM 280 CG1 ILE A 34 4.152 7.036 -2.382 1.00 10.00 C ATOM 281 CG2 ILE A 34 2.807 5.929 -0.602 1.00 10.00 C ATOM 282 CD1 ILE A 34 3.564 6.179 -3.486 1.00 10.00 C ATOM 0 H ILE A 34 3.358 8.503 0.671 1.00 10.00 H new ATOM 0 HA ILE A 34 5.595 6.572 0.613 1.00 10.00 H new ATOM 0 HB ILE A 34 4.827 5.436 -1.138 1.00 10.00 H new ATOM 0 HG12 ILE A 34 3.558 7.945 -2.283 1.00 10.00 H new ATOM 0 HG13 ILE A 34 5.158 7.343 -2.668 1.00 10.00 H new ATOM 0 HG21 ILE A 34 2.351 5.318 -1.381 1.00 10.00 H new ATOM 0 HG22 ILE A 34 2.856 5.358 0.325 1.00 10.00 H new ATOM 0 HG23 ILE A 34 2.205 6.824 -0.445 1.00 10.00 H new ATOM 0 HD11 ILE A 34 3.552 6.744 -4.418 1.00 10.00 H new ATOM 0 HD12 ILE A 34 4.171 5.282 -3.613 1.00 10.00 H new ATOM 0 HD13 ILE A 34 2.546 5.894 -3.222 1.00 10.00 H new ATOM 294 N LYS A 35 6.746 8.047 -1.274 1.00 10.00 N ATOM 295 CA LYS A 35 7.540 9.069 -1.935 1.00 10.00 C ATOM 296 C LYS A 35 7.061 9.258 -3.366 1.00 10.00 C ATOM 297 O LYS A 35 6.509 8.339 -3.966 1.00 10.00 O ATOM 298 CB LYS A 35 9.020 8.700 -1.908 1.00 10.00 C ATOM 299 CG LYS A 35 9.708 9.094 -0.617 1.00 10.00 C ATOM 300 CD LYS A 35 10.729 8.057 -0.188 1.00 10.00 C ATOM 301 CE LYS A 35 11.581 8.572 0.956 1.00 10.00 C ATOM 302 NZ LYS A 35 12.438 7.508 1.536 1.00 10.00 N ATOM 0 H LYS A 35 7.085 7.094 -1.407 1.00 10.00 H new ATOM 0 HA LYS A 35 7.415 10.010 -1.398 1.00 10.00 H new ATOM 0 HB2 LYS A 35 9.123 7.625 -2.054 1.00 10.00 H new ATOM 0 HB3 LYS A 35 9.524 9.185 -2.744 1.00 10.00 H new ATOM 0 HG2 LYS A 35 10.200 10.058 -0.746 1.00 10.00 H new ATOM 0 HG3 LYS A 35 8.963 9.219 0.169 1.00 10.00 H new ATOM 0 HD2 LYS A 35 10.218 7.144 0.117 1.00 10.00 H new ATOM 0 HD3 LYS A 35 11.367 7.799 -1.033 1.00 10.00 H new ATOM 0 HE2 LYS A 35 12.209 9.389 0.601 1.00 10.00 H new ATOM 0 HE3 LYS A 35 10.935 8.981 1.733 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 12.965 7.890 2.347 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 11.842 6.717 1.853 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 13.108 7.170 0.816 1.00 10.00 H new ATOM 316 N ARG A 36 7.292 10.440 -3.918 1.00 10.00 N ATOM 317 CA ARG A 36 6.858 10.759 -5.274 1.00 10.00 C ATOM 318 C ARG A 36 7.547 9.872 -6.309 1.00 10.00 C ATOM 319 O ARG A 36 7.015 9.649 -7.397 1.00 10.00 O ATOM 320 CB ARG A 36 7.122 12.239 -5.579 1.00 10.00 C ATOM 321 CG ARG A 36 6.449 13.182 -4.591 1.00 10.00 C ATOM 322 CD ARG A 36 6.595 14.638 -5.007 1.00 10.00 C ATOM 323 NE ARG A 36 5.818 14.947 -6.207 1.00 10.00 N ATOM 324 CZ ARG A 36 4.722 15.708 -6.221 1.00 10.00 C ATOM 325 NH1 ARG A 36 4.259 16.245 -5.096 1.00 10.00 N ATOM 326 NH2 ARG A 36 4.083 15.928 -7.363 1.00 10.00 N ATOM 0 H ARG A 36 7.781 11.200 -3.445 1.00 10.00 H new ATOM 0 HA ARG A 36 5.787 10.567 -5.336 1.00 10.00 H new ATOM 0 HB2 ARG A 36 8.197 12.420 -5.570 1.00 10.00 H new ATOM 0 HB3 ARG A 36 6.769 12.465 -6.585 1.00 10.00 H new ATOM 0 HG2 ARG A 36 5.391 12.931 -4.513 1.00 10.00 H new ATOM 0 HG3 ARG A 36 6.884 13.042 -3.601 1.00 10.00 H new ATOM 0 HD2 ARG A 36 6.271 15.282 -4.190 1.00 10.00 H new ATOM 0 HD3 ARG A 36 7.647 14.859 -5.190 1.00 10.00 H new ATOM 0 HE ARG A 36 6.135 14.554 -7.093 1.00 10.00 H new ATOM 0 HH11 ARG A 36 4.742 16.076 -4.214 1.00 10.00 H new ATOM 0 HH12 ARG A 36 3.421 16.826 -5.115 1.00 10.00 H new ATOM 0 HH21 ARG A 36 4.430 15.516 -8.229 1.00 10.00 H new ATOM 0 HH22 ARG A 36 3.245 16.510 -7.375 1.00 10.00 H new ATOM 340 N HIS A 37 8.723 9.361 -5.965 1.00 10.00 N ATOM 341 CA HIS A 37 9.469 8.489 -6.868 1.00 10.00 C ATOM 342 C HIS A 37 9.157 7.020 -6.587 1.00 10.00 C ATOM 343 O HIS A 37 9.647 6.123 -7.276 1.00 10.00 O ATOM 344 CB HIS A 37 10.979 8.748 -6.749 1.00 10.00 C ATOM 345 CG HIS A 37 11.564 8.441 -5.398 1.00 10.00 C ATOM 346 ND1 HIS A 37 11.810 7.148 -4.993 1.00 10.00 N ATOM 347 CD2 HIS A 37 11.942 9.290 -4.410 1.00 10.00 C ATOM 348 CE1 HIS A 37 12.330 7.239 -3.781 1.00 10.00 C ATOM 349 NE2 HIS A 37 12.427 8.516 -3.389 1.00 10.00 N ATOM 0 H HIS A 37 9.181 9.534 -5.070 1.00 10.00 H new ATOM 0 HA HIS A 37 9.159 8.716 -7.888 1.00 10.00 H new ATOM 0 HB2 HIS A 37 11.497 8.150 -7.499 1.00 10.00 H new ATOM 0 HB3 HIS A 37 11.174 9.794 -6.985 1.00 10.00 H new ATOM 0 HD2 HIS A 37 11.874 10.368 -4.425 1.00 10.00 H new ATOM 0 HE1 HIS A 37 12.637 6.393 -3.184 1.00 10.00 H new ATOM 0 HE2 HIS A 37 12.793 8.850 -2.497 1.00 10.00 H new ATOM 357 N THR A 38 8.333 6.783 -5.574 1.00 10.00 N ATOM 358 CA THR A 38 7.957 5.434 -5.189 1.00 10.00 C ATOM 359 C THR A 38 6.807 4.915 -6.052 1.00 10.00 C ATOM 360 O THR A 38 5.733 5.513 -6.089 1.00 10.00 O ATOM 361 CB THR A 38 7.560 5.384 -3.701 1.00 10.00 C ATOM 362 OG1 THR A 38 8.686 5.759 -2.894 1.00 10.00 O ATOM 363 CG2 THR A 38 7.078 3.997 -3.298 1.00 10.00 C ATOM 0 H THR A 38 7.911 7.515 -5.002 1.00 10.00 H new ATOM 0 HA THR A 38 8.823 4.792 -5.346 1.00 10.00 H new ATOM 0 HB THR A 38 6.738 6.083 -3.544 1.00 10.00 H new ATOM 0 HG1 THR A 38 8.449 5.683 -1.946 1.00 10.00 H new ATOM 0 HG21 THR A 38 6.807 3.999 -2.242 1.00 10.00 H new ATOM 0 HG22 THR A 38 6.208 3.726 -3.896 1.00 10.00 H new ATOM 0 HG23 THR A 38 7.874 3.272 -3.467 1.00 10.00 H new ATOM 371 N PRO A 39 7.037 3.807 -6.777 1.00 10.00 N ATOM 372 CA PRO A 39 6.020 3.191 -7.635 1.00 10.00 C ATOM 373 C PRO A 39 4.739 2.862 -6.873 1.00 10.00 C ATOM 374 O PRO A 39 4.781 2.393 -5.734 1.00 10.00 O ATOM 375 CB PRO A 39 6.692 1.908 -8.125 1.00 10.00 C ATOM 376 CG PRO A 39 8.151 2.170 -8.011 1.00 10.00 C ATOM 377 CD PRO A 39 8.316 3.076 -6.826 1.00 10.00 C ATOM 0 HA PRO A 39 5.711 3.859 -8.439 1.00 10.00 H new ATOM 0 HB2 PRO A 39 6.396 1.051 -7.519 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.411 1.683 -9.154 1.00 10.00 H new ATOM 0 HG2 PRO A 39 8.705 1.241 -7.873 1.00 10.00 H new ATOM 0 HG3 PRO A 39 8.536 2.638 -8.917 1.00 10.00 H new ATOM 0 HD2 PRO A 39 8.492 2.512 -5.910 1.00 10.00 H new ATOM 0 HD3 PRO A 39 9.161 3.753 -6.952 1.00 10.00 H new ATOM 385 N LEU A 40 3.602 3.098 -7.516 1.00 10.00 N ATOM 386 CA LEU A 40 2.303 2.847 -6.901 1.00 10.00 C ATOM 387 C LEU A 40 2.003 1.350 -6.820 1.00 10.00 C ATOM 388 O LEU A 40 0.952 0.945 -6.319 1.00 10.00 O ATOM 389 CB LEU A 40 1.208 3.569 -7.687 1.00 10.00 C ATOM 390 CG LEU A 40 1.317 5.096 -7.689 1.00 10.00 C ATOM 391 CD1 LEU A 40 0.488 5.691 -8.816 1.00 10.00 C ATOM 392 CD2 LEU A 40 0.872 5.665 -6.351 1.00 10.00 C ATOM 0 H LEU A 40 3.553 3.464 -8.467 1.00 10.00 H new ATOM 0 HA LEU A 40 2.328 3.234 -5.882 1.00 10.00 H new ATOM 0 HB2 LEU A 40 1.228 3.216 -8.718 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.239 3.289 -7.273 1.00 10.00 H new ATOM 0 HG LEU A 40 2.362 5.362 -7.850 1.00 10.00 H new ATOM 0 HD11 LEU A 40 0.579 6.777 -8.800 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.848 5.311 -9.772 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.558 5.412 -8.685 1.00 10.00 H new ATOM 0 HD21 LEU A 40 0.956 6.752 -6.371 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -0.165 5.385 -6.163 1.00 10.00 H new ATOM 0 HD23 LEU A 40 1.505 5.267 -5.558 1.00 10.00 H new ATOM 404 N SER A 41 2.932 0.535 -7.304 1.00 10.00 N ATOM 405 CA SER A 41 2.778 -0.910 -7.275 1.00 10.00 C ATOM 406 C SER A 41 2.707 -1.409 -5.835 1.00 10.00 C ATOM 407 O SER A 41 1.920 -2.300 -5.517 1.00 10.00 O ATOM 408 CB SER A 41 3.944 -1.564 -8.011 1.00 10.00 C ATOM 409 OG SER A 41 5.018 -0.649 -8.148 1.00 10.00 O ATOM 0 H SER A 41 3.805 0.855 -7.724 1.00 10.00 H new ATOM 0 HA SER A 41 1.847 -1.180 -7.774 1.00 10.00 H new ATOM 0 HB2 SER A 41 4.277 -2.447 -7.465 1.00 10.00 H new ATOM 0 HB3 SER A 41 3.618 -1.902 -8.995 1.00 10.00 H new ATOM 0 HG SER A 41 5.759 -1.083 -8.620 1.00 10.00 H new ATOM 415 N LYS A 42 3.516 -0.812 -4.957 1.00 10.00 N ATOM 416 CA LYS A 42 3.522 -1.207 -3.554 1.00 10.00 C ATOM 417 C LYS A 42 2.235 -0.757 -2.871 1.00 10.00 C ATOM 418 O LYS A 42 1.758 -1.408 -1.954 1.00 10.00 O ATOM 419 CB LYS A 42 4.721 -0.619 -2.794 1.00 10.00 C ATOM 420 CG LYS A 42 5.838 -0.076 -3.670 1.00 10.00 C ATOM 421 CD LYS A 42 6.995 0.448 -2.828 1.00 10.00 C ATOM 422 CE LYS A 42 7.693 -0.675 -2.069 1.00 10.00 C ATOM 423 NZ LYS A 42 9.171 -0.586 -2.179 1.00 10.00 N ATOM 0 H LYS A 42 4.167 -0.063 -5.192 1.00 10.00 H new ATOM 0 HA LYS A 42 3.600 -2.294 -3.531 1.00 10.00 H new ATOM 0 HB2 LYS A 42 4.364 0.184 -2.149 1.00 10.00 H new ATOM 0 HB3 LYS A 42 5.133 -1.391 -2.144 1.00 10.00 H new ATOM 0 HG2 LYS A 42 6.196 -0.862 -4.336 1.00 10.00 H new ATOM 0 HG3 LYS A 42 5.452 0.725 -4.301 1.00 10.00 H new ATOM 0 HD2 LYS A 42 7.714 0.954 -3.472 1.00 10.00 H new ATOM 0 HD3 LYS A 42 6.624 1.190 -2.121 1.00 10.00 H new ATOM 0 HE2 LYS A 42 7.405 -0.636 -1.019 1.00 10.00 H new ATOM 0 HE3 LYS A 42 7.358 -1.637 -2.456 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 9.581 -1.540 -2.126 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 9.426 -0.150 -3.088 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 9.543 -0.005 -1.400 1.00 10.00 H new ATOM 437 N LEU A 43 1.675 0.352 -3.344 1.00 10.00 N ATOM 438 CA LEU A 43 0.447 0.904 -2.776 1.00 10.00 C ATOM 439 C LEU A 43 -0.701 -0.095 -2.891 1.00 10.00 C ATOM 440 O LEU A 43 -1.436 -0.327 -1.931 1.00 10.00 O ATOM 441 CB LEU A 43 0.091 2.218 -3.485 1.00 10.00 C ATOM 442 CG LEU A 43 -0.855 3.148 -2.722 1.00 10.00 C ATOM 443 CD1 LEU A 43 -0.458 4.599 -2.936 1.00 10.00 C ATOM 444 CD2 LEU A 43 -2.294 2.928 -3.159 1.00 10.00 C ATOM 0 H LEU A 43 2.054 0.890 -4.124 1.00 10.00 H new ATOM 0 HA LEU A 43 0.611 1.106 -1.717 1.00 10.00 H new ATOM 0 HB2 LEU A 43 1.014 2.759 -3.692 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -0.362 1.979 -4.447 1.00 10.00 H new ATOM 0 HG LEU A 43 -0.778 2.916 -1.660 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -1.140 5.248 -2.387 1.00 10.00 H new ATOM 0 HD12 LEU A 43 0.559 4.755 -2.576 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -0.507 4.837 -3.999 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -2.949 3.599 -2.604 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -2.385 3.132 -4.226 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -2.581 1.895 -2.961 1.00 10.00 H new ATOM 456 N MET A 44 -0.839 -0.696 -4.063 1.00 10.00 N ATOM 457 CA MET A 44 -1.894 -1.669 -4.301 1.00 10.00 C ATOM 458 C MET A 44 -1.645 -2.943 -3.499 1.00 10.00 C ATOM 459 O MET A 44 -2.553 -3.473 -2.859 1.00 10.00 O ATOM 460 CB MET A 44 -1.988 -2.005 -5.793 1.00 10.00 C ATOM 461 CG MET A 44 -2.363 -0.816 -6.666 1.00 10.00 C ATOM 462 SD MET A 44 -2.569 -1.258 -8.403 1.00 10.00 S ATOM 463 CE MET A 44 -0.885 -1.668 -8.859 1.00 10.00 C ATOM 0 H MET A 44 -0.232 -0.527 -4.865 1.00 10.00 H new ATOM 0 HA MET A 44 -2.837 -1.229 -3.977 1.00 10.00 H new ATOM 0 HB2 MET A 44 -1.030 -2.402 -6.128 1.00 10.00 H new ATOM 0 HB3 MET A 44 -2.727 -2.794 -5.933 1.00 10.00 H new ATOM 0 HG2 MET A 44 -3.290 -0.378 -6.296 1.00 10.00 H new ATOM 0 HG3 MET A 44 -1.592 -0.051 -6.580 1.00 10.00 H new ATOM 0 HE1 MET A 44 -0.824 -1.806 -9.939 1.00 10.00 H new ATOM 0 HE2 MET A 44 -0.219 -0.859 -8.558 1.00 10.00 H new ATOM 0 HE3 MET A 44 -0.586 -2.589 -8.358 1.00 10.00 H new ATOM 473 N LYS A 45 -0.403 -3.411 -3.521 1.00 10.00 N ATOM 474 CA LYS A 45 -0.026 -4.632 -2.818 1.00 10.00 C ATOM 475 C LYS A 45 -0.122 -4.482 -1.300 1.00 10.00 C ATOM 476 O LYS A 45 -0.668 -5.354 -0.626 1.00 10.00 O ATOM 477 CB LYS A 45 1.392 -5.056 -3.213 1.00 10.00 C ATOM 478 CG LYS A 45 1.508 -5.508 -4.661 1.00 10.00 C ATOM 479 CD LYS A 45 2.877 -6.099 -4.964 1.00 10.00 C ATOM 480 CE LYS A 45 3.955 -5.026 -5.016 1.00 10.00 C ATOM 481 NZ LYS A 45 5.234 -5.552 -5.560 1.00 10.00 N ATOM 0 H LYS A 45 0.364 -2.961 -4.021 1.00 10.00 H new ATOM 0 HA LYS A 45 -0.735 -5.405 -3.115 1.00 10.00 H new ATOM 0 HB2 LYS A 45 2.072 -4.221 -3.045 1.00 10.00 H new ATOM 0 HB3 LYS A 45 1.716 -5.867 -2.560 1.00 10.00 H new ATOM 0 HG2 LYS A 45 0.738 -6.250 -4.872 1.00 10.00 H new ATOM 0 HG3 LYS A 45 1.324 -4.661 -5.321 1.00 10.00 H new ATOM 0 HD2 LYS A 45 3.133 -6.835 -4.201 1.00 10.00 H new ATOM 0 HD3 LYS A 45 2.843 -6.627 -5.917 1.00 10.00 H new ATOM 0 HE2 LYS A 45 3.612 -4.196 -5.634 1.00 10.00 H new ATOM 0 HE3 LYS A 45 4.122 -4.630 -4.014 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 5.942 -4.791 -5.579 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 5.575 -6.327 -4.957 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 5.081 -5.907 -6.526 1.00 10.00 H new ATOM 495 N ALA A 46 0.396 -3.381 -0.767 1.00 10.00 N ATOM 496 CA ALA A 46 0.378 -3.143 0.675 1.00 10.00 C ATOM 497 C ALA A 46 -1.040 -3.188 1.233 1.00 10.00 C ATOM 498 O ALA A 46 -1.295 -3.818 2.261 1.00 10.00 O ATOM 499 CB ALA A 46 1.028 -1.806 1.008 1.00 10.00 C ATOM 0 H ALA A 46 0.834 -2.638 -1.311 1.00 10.00 H new ATOM 0 HA ALA A 46 0.951 -3.943 1.144 1.00 10.00 H new ATOM 0 HB1 ALA A 46 1.004 -1.648 2.086 1.00 10.00 H new ATOM 0 HB2 ALA A 46 2.062 -1.809 0.664 1.00 10.00 H new ATOM 0 HB3 ALA A 46 0.483 -1.003 0.512 1.00 10.00 H new ATOM 505 N TYR A 47 -1.966 -2.529 0.548 1.00 10.00 N ATOM 506 CA TYR A 47 -3.350 -2.501 0.994 1.00 10.00 C ATOM 507 C TYR A 47 -4.014 -3.864 0.809 1.00 10.00 C ATOM 508 O TYR A 47 -4.787 -4.303 1.662 1.00 10.00 O ATOM 509 CB TYR A 47 -4.134 -1.415 0.249 1.00 10.00 C ATOM 510 CG TYR A 47 -5.561 -1.253 0.734 1.00 10.00 C ATOM 511 CD1 TYR A 47 -6.637 -1.515 -0.106 1.00 10.00 C ATOM 512 CD2 TYR A 47 -5.830 -0.843 2.035 1.00 10.00 C ATOM 513 CE1 TYR A 47 -7.939 -1.374 0.337 1.00 10.00 C ATOM 514 CE2 TYR A 47 -7.129 -0.699 2.484 1.00 10.00 C ATOM 515 CZ TYR A 47 -8.180 -0.965 1.632 1.00 10.00 C ATOM 516 OH TYR A 47 -9.475 -0.824 2.080 1.00 10.00 O ATOM 0 H TYR A 47 -1.785 -2.011 -0.312 1.00 10.00 H new ATOM 0 HA TYR A 47 -3.356 -2.265 2.058 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -3.613 -0.464 0.357 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -4.146 -1.653 -0.815 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -6.453 -1.834 -1.121 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -5.010 -0.634 2.706 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -8.764 -1.583 -0.328 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -7.320 -0.380 3.498 1.00 10.00 H new ATOM 0 HH TYR A 47 -9.468 -0.530 3.015 1.00 10.00 H new ATOM 526 N CYS A 48 -3.698 -4.547 -0.285 1.00 10.00 N ATOM 527 CA CYS A 48 -4.292 -5.851 -0.552 1.00 10.00 C ATOM 528 C CYS A 48 -3.818 -6.882 0.470 1.00 10.00 C ATOM 529 O CYS A 48 -4.582 -7.759 0.878 1.00 10.00 O ATOM 530 CB CYS A 48 -3.980 -6.313 -1.983 1.00 10.00 C ATOM 531 SG CYS A 48 -2.388 -7.147 -2.194 1.00 10.00 S ATOM 0 H CYS A 48 -3.041 -4.224 -0.995 1.00 10.00 H new ATOM 0 HA CYS A 48 -5.374 -5.755 -0.459 1.00 10.00 H new ATOM 0 HB2 CYS A 48 -4.771 -6.987 -2.311 1.00 10.00 H new ATOM 0 HB3 CYS A 48 -4.007 -5.445 -2.642 1.00 10.00 H new ATOM 0 HG CYS A 48 -1.496 -6.576 -1.440 1.00 10.00 H new ATOM 537 N GLU A 49 -2.566 -6.756 0.900 1.00 10.00 N ATOM 538 CA GLU A 49 -2.000 -7.677 1.877 1.00 10.00 C ATOM 539 C GLU A 49 -2.642 -7.475 3.242 1.00 10.00 C ATOM 540 O GLU A 49 -2.897 -8.439 3.963 1.00 10.00 O ATOM 541 CB GLU A 49 -0.485 -7.492 1.980 1.00 10.00 C ATOM 542 CG GLU A 49 0.287 -8.059 0.799 1.00 10.00 C ATOM 543 CD GLU A 49 -0.084 -9.495 0.488 1.00 10.00 C ATOM 544 OE1 GLU A 49 0.060 -10.360 1.380 1.00 10.00 O ATOM 545 OE2 GLU A 49 -0.523 -9.769 -0.646 1.00 10.00 O ATOM 0 H GLU A 49 -1.926 -6.026 0.587 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.207 -8.693 1.540 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -0.264 -6.428 2.069 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -0.132 -7.968 2.895 1.00 10.00 H new ATOM 0 HG2 GLU A 49 0.101 -7.442 -0.080 1.00 10.00 H new ATOM 0 HG3 GLU A 49 1.355 -8.002 1.008 1.00 10.00 H new ATOM 552 N ARG A 50 -2.904 -6.218 3.595 1.00 10.00 N ATOM 553 CA ARG A 50 -3.526 -5.904 4.878 1.00 10.00 C ATOM 554 C ARG A 50 -4.964 -6.411 4.916 1.00 10.00 C ATOM 555 O ARG A 50 -5.453 -6.845 5.961 1.00 10.00 O ATOM 556 CB ARG A 50 -3.489 -4.398 5.163 1.00 10.00 C ATOM 557 CG ARG A 50 -2.129 -3.905 5.630 1.00 10.00 C ATOM 558 CD ARG A 50 -2.254 -2.703 6.557 1.00 10.00 C ATOM 559 NE ARG A 50 -0.947 -2.130 6.884 1.00 10.00 N ATOM 560 CZ ARG A 50 -0.753 -1.125 7.740 1.00 10.00 C ATOM 561 NH1 ARG A 50 -1.779 -0.570 8.374 1.00 10.00 N ATOM 562 NH2 ARG A 50 0.473 -0.676 7.960 1.00 10.00 N ATOM 0 H ARG A 50 -2.697 -5.406 3.014 1.00 10.00 H new ATOM 0 HA ARG A 50 -2.953 -6.410 5.655 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -3.772 -3.858 4.260 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -4.234 -4.161 5.923 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -1.608 -4.711 6.147 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -1.523 -3.636 4.765 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -2.876 -1.943 6.085 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -2.759 -3.003 7.475 1.00 10.00 H new ATOM 0 HE ARG A 50 -0.127 -2.527 6.425 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -2.726 -0.911 8.209 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -1.620 0.198 9.027 1.00 10.00 H new ATOM 0 HH21 ARG A 50 1.265 -1.098 7.476 1.00 10.00 H new ATOM 0 HH22 ARG A 50 0.625 0.092 8.614 1.00 10.00 H new ATOM 576 N GLN A 51 -5.634 -6.356 3.769 1.00 10.00 N ATOM 577 CA GLN A 51 -7.009 -6.824 3.663 1.00 10.00 C ATOM 578 C GLN A 51 -7.041 -8.343 3.565 1.00 10.00 C ATOM 579 O GLN A 51 -7.990 -8.984 4.011 1.00 10.00 O ATOM 580 CB GLN A 51 -7.699 -6.220 2.438 1.00 10.00 C ATOM 581 CG GLN A 51 -7.804 -4.705 2.478 1.00 10.00 C ATOM 582 CD GLN A 51 -8.518 -4.197 3.714 1.00 10.00 C ATOM 583 OE1 GLN A 51 -7.890 -3.925 4.737 1.00 10.00 O ATOM 584 NE2 GLN A 51 -9.831 -4.066 3.633 1.00 10.00 N ATOM 0 H GLN A 51 -5.245 -5.991 2.899 1.00 10.00 H new ATOM 0 HA GLN A 51 -7.543 -6.506 4.558 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -7.151 -6.513 1.543 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -8.700 -6.642 2.352 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -6.803 -4.275 2.440 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -8.333 -4.359 1.590 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -10.315 -4.302 2.767 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -10.360 -3.729 4.437 1.00 10.00 H new ATOM 593 N GLY A 52 -5.995 -8.913 2.977 1.00 10.00 N ATOM 594 CA GLY A 52 -5.917 -10.351 2.828 1.00 10.00 C ATOM 595 C GLY A 52 -6.576 -10.828 1.549 1.00 10.00 C ATOM 596 O GLY A 52 -7.150 -11.919 1.504 1.00 10.00 O ATOM 0 H GLY A 52 -5.198 -8.401 2.600 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -4.872 -10.659 2.834 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -6.395 -10.830 3.682 1.00 10.00 H new ATOM 600 N LEU A 53 -6.493 -10.011 0.508 1.00 10.00 N ATOM 601 CA LEU A 53 -7.089 -10.344 -0.778 1.00 10.00 C ATOM 602 C LEU A 53 -6.064 -10.214 -1.891 1.00 10.00 C ATOM 603 O LEU A 53 -5.103 -9.453 -1.772 1.00 10.00 O ATOM 604 CB LEU A 53 -8.286 -9.432 -1.072 1.00 10.00 C ATOM 605 CG LEU A 53 -9.435 -9.509 -0.064 1.00 10.00 C ATOM 606 CD1 LEU A 53 -10.478 -8.445 -0.369 1.00 10.00 C ATOM 607 CD2 LEU A 53 -10.067 -10.893 -0.080 1.00 10.00 C ATOM 0 H LEU A 53 -6.017 -9.109 0.530 1.00 10.00 H new ATOM 0 HA LEU A 53 -7.434 -11.377 -0.731 1.00 10.00 H new ATOM 0 HB2 LEU A 53 -7.933 -8.402 -1.117 1.00 10.00 H new ATOM 0 HB3 LEU A 53 -8.675 -9.679 -2.060 1.00 10.00 H new ATOM 0 HG LEU A 53 -9.033 -9.326 0.933 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -11.289 -8.512 0.356 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -10.019 -7.458 -0.310 1.00 10.00 H new ATOM 0 HD13 LEU A 53 -10.875 -8.601 -1.372 1.00 10.00 H new ATOM 0 HD21 LEU A 53 -10.882 -10.929 0.643 1.00 10.00 H new ATOM 0 HD22 LEU A 53 -10.456 -11.104 -1.076 1.00 10.00 H new ATOM 0 HD23 LEU A 53 -9.316 -11.639 0.182 1.00 10.00 H new ATOM 619 N SER A 54 -6.270 -10.961 -2.964 1.00 10.00 N ATOM 620 CA SER A 54 -5.369 -10.927 -4.103 1.00 10.00 C ATOM 621 C SER A 54 -5.468 -9.582 -4.814 1.00 10.00 C ATOM 622 O SER A 54 -6.541 -8.972 -4.860 1.00 10.00 O ATOM 623 CB SER A 54 -5.701 -12.063 -5.077 1.00 10.00 C ATOM 624 OG SER A 54 -4.903 -11.983 -6.248 1.00 10.00 O ATOM 0 H SER A 54 -7.057 -11.601 -3.069 1.00 10.00 H new ATOM 0 HA SER A 54 -4.349 -11.060 -3.743 1.00 10.00 H new ATOM 0 HB2 SER A 54 -5.539 -13.024 -4.588 1.00 10.00 H new ATOM 0 HB3 SER A 54 -6.756 -12.017 -5.348 1.00 10.00 H new ATOM 0 HG SER A 54 -5.133 -12.720 -6.852 1.00 10.00 H new ATOM 630 N MET A 55 -4.355 -9.133 -5.378 1.00 10.00 N ATOM 631 CA MET A 55 -4.314 -7.858 -6.085 1.00 10.00 C ATOM 632 C MET A 55 -5.189 -7.895 -7.339 1.00 10.00 C ATOM 633 O MET A 55 -5.573 -6.855 -7.868 1.00 10.00 O ATOM 634 CB MET A 55 -2.874 -7.497 -6.455 1.00 10.00 C ATOM 635 CG MET A 55 -2.706 -6.059 -6.925 1.00 10.00 C ATOM 636 SD MET A 55 -0.990 -5.636 -7.293 1.00 10.00 S ATOM 637 CE MET A 55 -0.696 -6.633 -8.752 1.00 10.00 C ATOM 0 H MET A 55 -3.466 -9.633 -5.360 1.00 10.00 H new ATOM 0 HA MET A 55 -4.708 -7.092 -5.418 1.00 10.00 H new ATOM 0 HB2 MET A 55 -2.233 -7.664 -5.590 1.00 10.00 H new ATOM 0 HB3 MET A 55 -2.531 -8.169 -7.241 1.00 10.00 H new ATOM 0 HG2 MET A 55 -3.313 -5.900 -7.816 1.00 10.00 H new ATOM 0 HG3 MET A 55 -3.084 -5.384 -6.157 1.00 10.00 H new ATOM 0 HE1 MET A 55 0.230 -6.313 -9.231 1.00 10.00 H new ATOM 0 HE2 MET A 55 -0.613 -7.681 -8.466 1.00 10.00 H new ATOM 0 HE3 MET A 55 -1.525 -6.512 -9.449 1.00 10.00 H new ATOM 647 N ARG A 56 -5.513 -9.096 -7.803 1.00 10.00 N ATOM 648 CA ARG A 56 -6.348 -9.252 -8.989 1.00 10.00 C ATOM 649 C ARG A 56 -7.826 -9.110 -8.633 1.00 10.00 C ATOM 650 O ARG A 56 -8.664 -8.893 -9.507 1.00 10.00 O ATOM 651 CB ARG A 56 -6.096 -10.608 -9.657 1.00 10.00 C ATOM 652 CG ARG A 56 -6.819 -10.772 -10.988 1.00 10.00 C ATOM 653 CD ARG A 56 -6.233 -11.899 -11.821 1.00 10.00 C ATOM 654 NE ARG A 56 -6.919 -12.039 -13.103 1.00 10.00 N ATOM 655 CZ ARG A 56 -6.507 -11.466 -14.238 1.00 10.00 C ATOM 656 NH1 ARG A 56 -5.413 -10.708 -14.260 1.00 10.00 N ATOM 657 NH2 ARG A 56 -7.188 -11.658 -15.355 1.00 10.00 N ATOM 0 H ARG A 56 -5.212 -9.973 -7.378 1.00 10.00 H new ATOM 0 HA ARG A 56 -6.082 -8.463 -9.692 1.00 10.00 H new ATOM 0 HB2 ARG A 56 -5.025 -10.732 -9.816 1.00 10.00 H new ATOM 0 HB3 ARG A 56 -6.412 -11.402 -8.980 1.00 10.00 H new ATOM 0 HG2 ARG A 56 -7.875 -10.969 -10.805 1.00 10.00 H new ATOM 0 HG3 ARG A 56 -6.761 -9.839 -11.549 1.00 10.00 H new ATOM 0 HD2 ARG A 56 -5.174 -11.710 -11.994 1.00 10.00 H new ATOM 0 HD3 ARG A 56 -6.303 -12.835 -11.267 1.00 10.00 H new ATOM 0 HE ARG A 56 -7.764 -12.609 -13.134 1.00 10.00 H new ATOM 0 HH11 ARG A 56 -4.879 -10.559 -13.404 1.00 10.00 H new ATOM 0 HH12 ARG A 56 -5.109 -10.276 -15.133 1.00 10.00 H new ATOM 0 HH21 ARG A 56 -8.024 -12.242 -15.348 1.00 10.00 H new ATOM 0 HH22 ARG A 56 -6.877 -11.222 -16.223 1.00 10.00 H new ATOM 671 N GLN A 57 -8.139 -9.213 -7.350 1.00 10.00 N ATOM 672 CA GLN A 57 -9.518 -9.100 -6.895 1.00 10.00 C ATOM 673 C GLN A 57 -9.911 -7.637 -6.710 1.00 10.00 C ATOM 674 O GLN A 57 -11.070 -7.267 -6.885 1.00 10.00 O ATOM 675 CB GLN A 57 -9.706 -9.860 -5.581 1.00 10.00 C ATOM 676 CG GLN A 57 -11.139 -9.846 -5.068 1.00 10.00 C ATOM 677 CD GLN A 57 -11.300 -10.577 -3.752 1.00 10.00 C ATOM 678 OE1 GLN A 57 -10.563 -11.516 -3.453 1.00 10.00 O ATOM 679 NE2 GLN A 57 -12.263 -10.148 -2.954 1.00 10.00 N ATOM 0 H GLN A 57 -7.459 -9.374 -6.607 1.00 10.00 H new ATOM 0 HA GLN A 57 -10.164 -9.538 -7.656 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -9.389 -10.894 -5.720 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -9.054 -9.426 -4.823 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -11.466 -8.813 -4.947 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -11.791 -10.302 -5.813 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -12.852 -9.366 -3.240 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -12.417 -10.599 -2.052 1.00 10.00 H new ATOM 688 N ILE A 58 -8.937 -6.811 -6.369 1.00 10.00 N ATOM 689 CA ILE A 58 -9.183 -5.393 -6.147 1.00 10.00 C ATOM 690 C ILE A 58 -8.946 -4.581 -7.413 1.00 10.00 C ATOM 691 O ILE A 58 -8.184 -4.986 -8.291 1.00 10.00 O ATOM 692 CB ILE A 58 -8.292 -4.837 -5.020 1.00 10.00 C ATOM 693 CG1 ILE A 58 -6.861 -5.365 -5.170 1.00 10.00 C ATOM 694 CG2 ILE A 58 -8.866 -5.207 -3.662 1.00 10.00 C ATOM 695 CD1 ILE A 58 -5.820 -4.500 -4.501 1.00 10.00 C ATOM 0 H ILE A 58 -7.966 -7.097 -6.239 1.00 10.00 H new ATOM 0 HA ILE A 58 -10.229 -5.301 -5.855 1.00 10.00 H new ATOM 0 HB ILE A 58 -8.266 -3.750 -5.093 1.00 10.00 H new ATOM 0 HG12 ILE A 58 -6.809 -6.370 -4.751 1.00 10.00 H new ATOM 0 HG13 ILE A 58 -6.624 -5.449 -6.231 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -8.226 -4.807 -2.875 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -9.867 -4.787 -3.563 1.00 10.00 H new ATOM 0 HG23 ILE A 58 -8.917 -6.292 -3.572 1.00 10.00 H new ATOM 0 HD11 ILE A 58 -4.833 -4.938 -4.650 1.00 10.00 H new ATOM 0 HD12 ILE A 58 -5.843 -3.501 -4.936 1.00 10.00 H new ATOM 0 HD13 ILE A 58 -6.031 -4.436 -3.434 1.00 10.00 H new ATOM 707 N ARG A 59 -9.617 -3.445 -7.504 1.00 10.00 N ATOM 708 CA ARG A 59 -9.481 -2.558 -8.650 1.00 10.00 C ATOM 709 C ARG A 59 -9.170 -1.146 -8.182 1.00 10.00 C ATOM 710 O ARG A 59 -10.001 -0.499 -7.545 1.00 10.00 O ATOM 711 CB ARG A 59 -10.763 -2.558 -9.488 1.00 10.00 C ATOM 712 CG ARG A 59 -10.993 -3.846 -10.260 1.00 10.00 C ATOM 713 CD ARG A 59 -9.947 -4.037 -11.348 1.00 10.00 C ATOM 714 NE ARG A 59 -10.050 -5.352 -11.974 1.00 10.00 N ATOM 715 CZ ARG A 59 -9.252 -6.381 -11.688 1.00 10.00 C ATOM 716 NH1 ARG A 59 -8.289 -6.252 -10.782 1.00 10.00 N ATOM 717 NH2 ARG A 59 -9.420 -7.541 -12.311 1.00 10.00 N ATOM 0 H ARG A 59 -10.267 -3.112 -6.792 1.00 10.00 H new ATOM 0 HA ARG A 59 -8.660 -2.919 -9.270 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -11.615 -2.382 -8.831 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -10.726 -1.726 -10.191 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -10.965 -4.693 -9.574 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -11.987 -3.831 -10.708 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -10.066 -3.263 -12.106 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -8.952 -3.915 -10.921 1.00 10.00 H new ATOM 0 HE ARG A 59 -10.778 -5.492 -12.674 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -8.157 -5.362 -10.301 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -7.682 -7.043 -10.567 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -10.158 -7.644 -13.007 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -8.811 -8.330 -12.094 1.00 10.00 H new ATOM 731 N PHE A 60 -7.973 -0.676 -8.489 1.00 10.00 N ATOM 732 CA PHE A 60 -7.555 0.661 -8.091 1.00 10.00 C ATOM 733 C PHE A 60 -7.807 1.672 -9.204 1.00 10.00 C ATOM 734 O PHE A 60 -7.481 1.427 -10.370 1.00 10.00 O ATOM 735 CB PHE A 60 -6.075 0.657 -7.711 1.00 10.00 C ATOM 736 CG PHE A 60 -5.826 0.441 -6.245 1.00 10.00 C ATOM 737 CD1 PHE A 60 -5.968 -0.814 -5.678 1.00 10.00 C ATOM 738 CD2 PHE A 60 -5.443 1.496 -5.433 1.00 10.00 C ATOM 739 CE1 PHE A 60 -5.735 -1.010 -4.330 1.00 10.00 C ATOM 740 CE2 PHE A 60 -5.210 1.305 -4.084 1.00 10.00 C ATOM 741 CZ PHE A 60 -5.355 0.050 -3.532 1.00 10.00 C ATOM 0 H PHE A 60 -7.272 -1.199 -9.013 1.00 10.00 H new ATOM 0 HA PHE A 60 -8.147 0.957 -7.225 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -5.567 -0.125 -8.275 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -5.630 1.606 -8.010 1.00 10.00 H new ATOM 0 HD1 PHE A 60 -6.264 -1.649 -6.296 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -5.325 2.481 -5.860 1.00 10.00 H new ATOM 0 HE1 PHE A 60 -5.850 -1.994 -3.900 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -4.915 2.138 -3.463 1.00 10.00 H new ATOM 0 HZ PHE A 60 -5.172 -0.103 -2.479 1.00 10.00 H new ATOM 751 N ARG A 61 -8.393 2.805 -8.843 1.00 10.00 N ATOM 752 CA ARG A 61 -8.693 3.854 -9.807 1.00 10.00 C ATOM 753 C ARG A 61 -8.255 5.219 -9.287 1.00 10.00 C ATOM 754 O ARG A 61 -8.264 5.468 -8.080 1.00 10.00 O ATOM 755 CB ARG A 61 -10.190 3.902 -10.110 1.00 10.00 C ATOM 756 CG ARG A 61 -10.675 2.840 -11.084 1.00 10.00 C ATOM 757 CD ARG A 61 -12.061 3.178 -11.612 1.00 10.00 C ATOM 758 NE ARG A 61 -12.557 2.179 -12.556 1.00 10.00 N ATOM 759 CZ ARG A 61 -13.323 2.467 -13.613 1.00 10.00 C ATOM 760 NH1 ARG A 61 -13.680 3.721 -13.869 1.00 10.00 N ATOM 761 NH2 ARG A 61 -13.738 1.489 -14.408 1.00 10.00 N ATOM 0 H ARG A 61 -8.671 3.022 -7.886 1.00 10.00 H new ATOM 0 HA ARG A 61 -8.142 3.621 -10.718 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -10.740 3.796 -9.175 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -10.434 4.885 -10.514 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -9.975 2.757 -11.916 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -10.697 1.870 -10.588 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -12.755 3.260 -10.776 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -12.033 4.152 -12.100 1.00 10.00 H new ATOM 0 HE ARG A 61 -12.304 1.204 -12.399 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -13.369 4.475 -13.256 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -14.265 3.930 -14.678 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -13.472 0.524 -14.211 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -14.323 1.702 -15.216 1.00 10.00 H new ATOM 775 N PHE A 62 -7.870 6.087 -10.211 1.00 10.00 N ATOM 776 CA PHE A 62 -7.453 7.442 -9.885 1.00 10.00 C ATOM 777 C PHE A 62 -7.912 8.384 -10.989 1.00 10.00 C ATOM 778 O PHE A 62 -7.628 8.148 -12.168 1.00 10.00 O ATOM 779 CB PHE A 62 -5.930 7.534 -9.711 1.00 10.00 C ATOM 780 CG PHE A 62 -5.411 8.947 -9.762 1.00 10.00 C ATOM 781 CD1 PHE A 62 -5.773 9.873 -8.793 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.573 9.352 -10.789 1.00 10.00 C ATOM 783 CE1 PHE A 62 -5.307 11.173 -8.851 1.00 10.00 C ATOM 784 CE2 PHE A 62 -4.104 10.650 -10.848 1.00 10.00 C ATOM 785 CZ PHE A 62 -4.472 11.562 -9.880 1.00 10.00 C ATOM 0 H PHE A 62 -7.838 5.871 -11.207 1.00 10.00 H new ATOM 0 HA PHE A 62 -7.910 7.728 -8.938 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -5.652 7.086 -8.757 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -5.446 6.948 -10.492 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.425 9.575 -7.986 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -4.283 8.645 -11.552 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -5.596 11.885 -8.092 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -3.449 10.951 -11.652 1.00 10.00 H new ATOM 0 HZ PHE A 62 -4.108 12.578 -9.927 1.00 10.00 H new ATOM 795 N ASP A 63 -8.643 9.428 -10.607 1.00 10.00 N ATOM 796 CA ASP A 63 -9.157 10.420 -11.555 1.00 10.00 C ATOM 797 C ASP A 63 -10.110 9.760 -12.552 1.00 10.00 C ATOM 798 O ASP A 63 -10.232 10.183 -13.702 1.00 10.00 O ATOM 799 CB ASP A 63 -8.003 11.119 -12.290 1.00 10.00 C ATOM 800 CG ASP A 63 -8.425 12.430 -12.922 1.00 10.00 C ATOM 801 OD1 ASP A 63 -9.044 13.259 -12.225 1.00 10.00 O ATOM 802 OD2 ASP A 63 -8.134 12.645 -14.117 1.00 10.00 O ATOM 0 H ASP A 63 -8.896 9.612 -9.636 1.00 10.00 H new ATOM 0 HA ASP A 63 -9.710 11.175 -10.996 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -7.189 11.303 -11.589 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -7.614 10.456 -13.063 1.00 10.00 H new ATOM 807 N GLY A 64 -10.778 8.709 -12.094 1.00 10.00 N ATOM 808 CA GLY A 64 -11.716 7.988 -12.931 1.00 10.00 C ATOM 809 C GLY A 64 -11.047 6.958 -13.819 1.00 10.00 C ATOM 810 O GLY A 64 -11.713 6.091 -14.384 1.00 10.00 O ATOM 0 H GLY A 64 -10.685 8.340 -11.147 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -12.452 7.491 -12.298 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -12.259 8.699 -13.554 1.00 10.00 H new ATOM 814 N GLN A 65 -9.731 7.036 -13.931 1.00 10.00 N ATOM 815 CA GLN A 65 -8.984 6.117 -14.772 1.00 10.00 C ATOM 816 C GLN A 65 -8.311 5.037 -13.928 1.00 10.00 C ATOM 817 O GLN A 65 -7.793 5.324 -12.847 1.00 10.00 O ATOM 818 CB GLN A 65 -7.928 6.883 -15.579 1.00 10.00 C ATOM 819 CG GLN A 65 -8.357 8.291 -15.969 1.00 10.00 C ATOM 820 CD GLN A 65 -9.543 8.307 -16.913 1.00 10.00 C ATOM 821 OE1 GLN A 65 -9.678 7.442 -17.783 1.00 10.00 O ATOM 822 NE2 GLN A 65 -10.417 9.281 -16.736 1.00 10.00 N ATOM 0 H GLN A 65 -9.158 7.728 -13.449 1.00 10.00 H new ATOM 0 HA GLN A 65 -9.681 5.636 -15.458 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -7.009 6.941 -14.995 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -7.696 6.320 -16.483 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -8.609 8.851 -15.068 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -7.518 8.804 -16.439 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -10.266 9.975 -16.004 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -11.243 9.339 -17.331 1.00 10.00 H new ATOM 831 N PRO A 66 -8.334 3.777 -14.393 1.00 10.00 N ATOM 832 CA PRO A 66 -7.696 2.662 -13.684 1.00 10.00 C ATOM 833 C PRO A 66 -6.190 2.876 -13.546 1.00 10.00 C ATOM 834 O PRO A 66 -5.549 3.434 -14.440 1.00 10.00 O ATOM 835 CB PRO A 66 -7.984 1.448 -14.580 1.00 10.00 C ATOM 836 CG PRO A 66 -9.136 1.856 -15.429 1.00 10.00 C ATOM 837 CD PRO A 66 -8.995 3.336 -15.632 1.00 10.00 C ATOM 0 HA PRO A 66 -8.074 2.548 -12.668 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -7.117 1.193 -15.189 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -8.226 0.567 -13.985 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -9.124 1.328 -16.383 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -10.082 1.617 -14.944 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -8.397 3.568 -16.513 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -9.963 3.819 -15.768 1.00 10.00 H new ATOM 845 N ILE A 67 -5.628 2.445 -12.425 1.00 10.00 N ATOM 846 CA ILE A 67 -4.201 2.603 -12.189 1.00 10.00 C ATOM 847 C ILE A 67 -3.415 1.459 -12.825 1.00 10.00 C ATOM 848 O ILE A 67 -3.844 0.301 -12.802 1.00 10.00 O ATOM 849 CB ILE A 67 -3.876 2.686 -10.678 1.00 10.00 C ATOM 850 CG1 ILE A 67 -4.741 3.758 -10.008 1.00 10.00 C ATOM 851 CG2 ILE A 67 -2.396 2.982 -10.463 1.00 10.00 C ATOM 852 CD1 ILE A 67 -4.408 3.987 -8.550 1.00 10.00 C ATOM 0 H ILE A 67 -6.136 1.986 -11.669 1.00 10.00 H new ATOM 0 HA ILE A 67 -3.902 3.543 -12.653 1.00 10.00 H new ATOM 0 HB ILE A 67 -4.101 1.722 -10.222 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -4.624 4.697 -10.550 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -5.789 3.470 -10.091 1.00 10.00 H new ATOM 0 HG21 ILE A 67 -2.187 3.037 -9.395 1.00 10.00 H new ATOM 0 HG22 ILE A 67 -1.798 2.188 -10.910 1.00 10.00 H new ATOM 0 HG23 ILE A 67 -2.144 3.933 -10.931 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -5.062 4.759 -8.144 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -4.552 3.061 -7.994 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -3.370 4.306 -8.460 1.00 10.00 H new ATOM 864 N ASN A 68 -2.279 1.801 -13.413 1.00 10.00 N ATOM 865 CA ASN A 68 -1.410 0.830 -14.061 1.00 10.00 C ATOM 866 C ASN A 68 -0.502 0.168 -13.033 1.00 10.00 C ATOM 867 O ASN A 68 -0.521 0.525 -11.855 1.00 10.00 O ATOM 868 CB ASN A 68 -0.562 1.516 -15.136 1.00 10.00 C ATOM 869 CG ASN A 68 -1.372 1.963 -16.339 1.00 10.00 C ATOM 870 OD1 ASN A 68 -2.178 1.205 -16.880 1.00 10.00 O ATOM 871 ND2 ASN A 68 -1.176 3.205 -16.753 1.00 10.00 N ATOM 0 H ASN A 68 -1.933 2.760 -13.455 1.00 10.00 H new ATOM 0 HA ASN A 68 -2.030 0.066 -14.530 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -0.064 2.381 -14.699 1.00 10.00 H new ATOM 0 HB3 ASN A 68 0.219 0.831 -15.466 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -1.703 3.567 -17.548 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -0.499 3.800 -16.277 1.00 10.00 H new ATOM 878 N GLU A 69 0.300 -0.786 -13.480 1.00 10.00 N ATOM 879 CA GLU A 69 1.215 -1.492 -12.591 1.00 10.00 C ATOM 880 C GLU A 69 2.631 -0.933 -12.707 1.00 10.00 C ATOM 881 O GLU A 69 3.555 -1.407 -12.046 1.00 10.00 O ATOM 882 CB GLU A 69 1.217 -2.984 -12.918 1.00 10.00 C ATOM 883 CG GLU A 69 0.020 -3.734 -12.355 1.00 10.00 C ATOM 884 CD GLU A 69 -0.178 -5.090 -12.997 1.00 10.00 C ATOM 885 OE1 GLU A 69 0.634 -6.005 -12.743 1.00 10.00 O ATOM 886 OE2 GLU A 69 -1.157 -5.252 -13.757 1.00 10.00 O ATOM 0 H GLU A 69 0.337 -1.091 -14.453 1.00 10.00 H new ATOM 0 HA GLU A 69 0.872 -1.348 -11.566 1.00 10.00 H new ATOM 0 HB2 GLU A 69 1.237 -3.110 -14.001 1.00 10.00 H new ATOM 0 HB3 GLU A 69 2.131 -3.431 -12.528 1.00 10.00 H new ATOM 0 HG2 GLU A 69 0.150 -3.862 -11.280 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -0.879 -3.134 -12.499 1.00 10.00 H new ATOM 893 N THR A 70 2.794 0.076 -13.550 1.00 10.00 N ATOM 894 CA THR A 70 4.092 0.700 -13.767 1.00 10.00 C ATOM 895 C THR A 70 3.967 2.223 -13.757 1.00 10.00 C ATOM 896 O THR A 70 4.449 2.905 -14.665 1.00 10.00 O ATOM 897 CB THR A 70 4.698 0.245 -15.112 1.00 10.00 C ATOM 898 OG1 THR A 70 4.290 -1.099 -15.402 1.00 10.00 O ATOM 899 CG2 THR A 70 6.219 0.321 -15.080 1.00 10.00 C ATOM 0 H THR A 70 2.037 0.483 -14.099 1.00 10.00 H new ATOM 0 HA THR A 70 4.750 0.390 -12.955 1.00 10.00 H new ATOM 0 HB THR A 70 4.335 0.914 -15.892 1.00 10.00 H new ATOM 0 HG1 THR A 70 4.676 -1.381 -16.257 1.00 10.00 H new ATOM 0 HG21 THR A 70 6.620 -0.005 -16.040 1.00 10.00 H new ATOM 0 HG22 THR A 70 6.528 1.348 -14.888 1.00 10.00 H new ATOM 0 HG23 THR A 70 6.599 -0.326 -14.289 1.00 10.00 H new ATOM 907 N ASP A 71 3.318 2.755 -12.731 1.00 10.00 N ATOM 908 CA ASP A 71 3.124 4.198 -12.621 1.00 10.00 C ATOM 909 C ASP A 71 3.545 4.714 -11.254 1.00 10.00 C ATOM 910 O ASP A 71 3.486 3.992 -10.254 1.00 10.00 O ATOM 911 CB ASP A 71 1.660 4.565 -12.879 1.00 10.00 C ATOM 912 CG ASP A 71 1.415 5.022 -14.305 1.00 10.00 C ATOM 913 OD1 ASP A 71 0.540 4.437 -14.979 1.00 10.00 O ATOM 914 OD2 ASP A 71 2.097 5.960 -14.762 1.00 10.00 O ATOM 0 H ASP A 71 2.918 2.214 -11.965 1.00 10.00 H new ATOM 0 HA ASP A 71 3.753 4.669 -13.376 1.00 10.00 H new ATOM 0 HB2 ASP A 71 1.030 3.702 -12.665 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.361 5.356 -12.191 1.00 10.00 H new ATOM 919 N THR A 72 3.978 5.963 -11.224 1.00 10.00 N ATOM 920 CA THR A 72 4.401 6.612 -9.995 1.00 10.00 C ATOM 921 C THR A 72 3.580 7.879 -9.776 1.00 10.00 C ATOM 922 O THR A 72 2.982 8.398 -10.724 1.00 10.00 O ATOM 923 CB THR A 72 5.900 6.983 -10.049 1.00 10.00 C ATOM 924 OG1 THR A 72 6.211 7.602 -11.303 1.00 10.00 O ATOM 925 CG2 THR A 72 6.773 5.756 -9.857 1.00 10.00 C ATOM 0 H THR A 72 4.046 6.556 -12.051 1.00 10.00 H new ATOM 0 HA THR A 72 4.244 5.915 -9.172 1.00 10.00 H new ATOM 0 HB THR A 72 6.102 7.683 -9.238 1.00 10.00 H new ATOM 0 HG1 THR A 72 7.163 7.835 -11.326 1.00 10.00 H new ATOM 0 HG21 THR A 72 7.823 6.046 -9.900 1.00 10.00 H new ATOM 0 HG22 THR A 72 6.560 5.306 -8.887 1.00 10.00 H new ATOM 0 HG23 THR A 72 6.564 5.034 -10.646 1.00 10.00 H new ATOM 933 N PRO A 73 3.526 8.402 -8.537 1.00 10.00 N ATOM 934 CA PRO A 73 2.776 9.625 -8.237 1.00 10.00 C ATOM 935 C PRO A 73 3.294 10.809 -9.046 1.00 10.00 C ATOM 936 O PRO A 73 2.539 11.712 -9.405 1.00 10.00 O ATOM 937 CB PRO A 73 3.021 9.853 -6.740 1.00 10.00 C ATOM 938 CG PRO A 73 3.458 8.533 -6.210 1.00 10.00 C ATOM 939 CD PRO A 73 4.177 7.849 -7.336 1.00 10.00 C ATOM 0 HA PRO A 73 1.720 9.530 -8.488 1.00 10.00 H new ATOM 0 HB2 PRO A 73 3.784 10.615 -6.577 1.00 10.00 H new ATOM 0 HB3 PRO A 73 2.115 10.197 -6.241 1.00 10.00 H new ATOM 0 HG2 PRO A 73 4.113 8.657 -5.348 1.00 10.00 H new ATOM 0 HG3 PRO A 73 2.603 7.944 -5.879 1.00 10.00 H new ATOM 0 HD2 PRO A 73 5.245 8.065 -7.322 1.00 10.00 H new ATOM 0 HD3 PRO A 73 4.070 6.766 -7.283 1.00 10.00 H new ATOM 947 N ALA A 74 4.589 10.785 -9.340 1.00 10.00 N ATOM 948 CA ALA A 74 5.223 11.844 -10.110 1.00 10.00 C ATOM 949 C ALA A 74 4.857 11.743 -11.586 1.00 10.00 C ATOM 950 O ALA A 74 4.684 12.757 -12.260 1.00 10.00 O ATOM 951 CB ALA A 74 6.733 11.788 -9.937 1.00 10.00 C ATOM 0 H ALA A 74 5.222 10.038 -9.054 1.00 10.00 H new ATOM 0 HA ALA A 74 4.858 12.800 -9.735 1.00 10.00 H new ATOM 0 HB1 ALA A 74 7.196 12.586 -10.518 1.00 10.00 H new ATOM 0 HB2 ALA A 74 6.983 11.914 -8.884 1.00 10.00 H new ATOM 0 HB3 ALA A 74 7.104 10.824 -10.285 1.00 10.00 H new ATOM 957 N GLN A 75 4.727 10.519 -12.085 1.00 10.00 N ATOM 958 CA GLN A 75 4.389 10.302 -13.488 1.00 10.00 C ATOM 959 C GLN A 75 2.913 10.591 -13.747 1.00 10.00 C ATOM 960 O GLN A 75 2.531 10.986 -14.848 1.00 10.00 O ATOM 961 CB GLN A 75 4.729 8.870 -13.908 1.00 10.00 C ATOM 962 CG GLN A 75 4.668 8.645 -15.412 1.00 10.00 C ATOM 963 CD GLN A 75 5.548 9.609 -16.187 1.00 10.00 C ATOM 964 OE1 GLN A 75 6.629 9.994 -15.733 1.00 10.00 O ATOM 965 NE2 GLN A 75 5.089 10.012 -17.360 1.00 10.00 N ATOM 0 H GLN A 75 4.850 9.664 -11.542 1.00 10.00 H new ATOM 0 HA GLN A 75 4.983 10.993 -14.086 1.00 10.00 H new ATOM 0 HB2 GLN A 75 5.730 8.624 -13.553 1.00 10.00 H new ATOM 0 HB3 GLN A 75 4.039 8.183 -13.418 1.00 10.00 H new ATOM 0 HG2 GLN A 75 4.973 7.623 -15.634 1.00 10.00 H new ATOM 0 HG3 GLN A 75 3.637 8.750 -15.749 1.00 10.00 H new ATOM 0 HE21 GLN A 75 4.190 9.671 -17.701 1.00 10.00 H new ATOM 0 HE22 GLN A 75 5.634 10.664 -17.924 1.00 10.00 H new ATOM 974 N LEU A 76 2.084 10.392 -12.733 1.00 10.00 N ATOM 975 CA LEU A 76 0.655 10.644 -12.865 1.00 10.00 C ATOM 976 C LEU A 76 0.320 12.076 -12.464 1.00 10.00 C ATOM 977 O LEU A 76 -0.835 12.495 -12.551 1.00 10.00 O ATOM 978 CB LEU A 76 -0.153 9.660 -12.018 1.00 10.00 C ATOM 979 CG LEU A 76 -0.156 8.212 -12.518 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.000 7.338 -11.603 1.00 10.00 C ATOM 981 CD2 LEU A 76 -0.676 8.140 -13.947 1.00 10.00 C ATOM 0 H LEU A 76 2.373 10.058 -11.814 1.00 10.00 H new ATOM 0 HA LEU A 76 0.387 10.502 -13.912 1.00 10.00 H new ATOM 0 HB2 LEU A 76 0.239 9.675 -11.001 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -1.184 10.011 -11.967 1.00 10.00 H new ATOM 0 HG LEU A 76 0.869 7.842 -12.506 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -0.993 6.312 -11.971 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -0.589 7.364 -10.594 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -2.024 7.710 -11.587 1.00 10.00 H new ATOM 0 HD21 LEU A 76 -0.671 7.104 -14.284 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -1.694 8.528 -13.984 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -0.036 8.737 -14.597 1.00 10.00 H new ATOM 993 N GLU A 77 1.347 12.814 -12.037 1.00 10.00 N ATOM 994 CA GLU A 77 1.201 14.209 -11.616 1.00 10.00 C ATOM 995 C GLU A 77 0.192 14.334 -10.480 1.00 10.00 C ATOM 996 O GLU A 77 -0.748 15.129 -10.545 1.00 10.00 O ATOM 997 CB GLU A 77 0.788 15.094 -12.797 1.00 10.00 C ATOM 998 CG GLU A 77 1.716 14.988 -13.996 1.00 10.00 C ATOM 999 CD GLU A 77 3.027 15.731 -13.813 1.00 10.00 C ATOM 1000 OE1 GLU A 77 3.549 15.784 -12.680 1.00 10.00 O ATOM 1001 OE2 GLU A 77 3.560 16.251 -14.816 1.00 10.00 O ATOM 0 H GLU A 77 2.302 12.462 -11.973 1.00 10.00 H new ATOM 0 HA GLU A 77 2.170 14.550 -11.251 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -0.222 14.824 -13.106 1.00 10.00 H new ATOM 0 HB3 GLU A 77 0.753 16.132 -12.467 1.00 10.00 H new ATOM 0 HG2 GLU A 77 1.927 13.936 -14.190 1.00 10.00 H new ATOM 0 HG3 GLU A 77 1.206 15.379 -14.876 1.00 10.00 H new ATOM 1008 N MET A 78 0.392 13.539 -9.442 1.00 10.00 N ATOM 1009 CA MET A 78 -0.494 13.554 -8.288 1.00 10.00 C ATOM 1010 C MET A 78 0.044 14.485 -7.214 1.00 10.00 C ATOM 1011 O MET A 78 1.252 14.701 -7.119 1.00 10.00 O ATOM 1012 CB MET A 78 -0.644 12.149 -7.705 1.00 10.00 C ATOM 1013 CG MET A 78 -1.224 11.136 -8.675 1.00 10.00 C ATOM 1014 SD MET A 78 -1.472 9.517 -7.919 1.00 10.00 S ATOM 1015 CE MET A 78 -2.667 9.926 -6.645 1.00 10.00 C ATOM 0 H MET A 78 1.162 12.873 -9.374 1.00 10.00 H new ATOM 0 HA MET A 78 -1.469 13.911 -8.620 1.00 10.00 H new ATOM 0 HB2 MET A 78 0.333 11.799 -7.372 1.00 10.00 H new ATOM 0 HB3 MET A 78 -1.283 12.199 -6.823 1.00 10.00 H new ATOM 0 HG2 MET A 78 -2.177 11.506 -9.055 1.00 10.00 H new ATOM 0 HG3 MET A 78 -0.557 11.035 -9.531 1.00 10.00 H new ATOM 0 HE1 MET A 78 -3.198 9.024 -6.341 1.00 10.00 H new ATOM 0 HE2 MET A 78 -2.150 10.350 -5.784 1.00 10.00 H new ATOM 0 HE3 MET A 78 -3.380 10.653 -7.035 1.00 10.00 H new ATOM 1025 N GLU A 79 -0.850 15.030 -6.407 1.00 10.00 N ATOM 1026 CA GLU A 79 -0.455 15.924 -5.334 1.00 10.00 C ATOM 1027 C GLU A 79 -0.885 15.345 -3.997 1.00 10.00 C ATOM 1028 O GLU A 79 -1.535 14.301 -3.953 1.00 10.00 O ATOM 1029 CB GLU A 79 -1.059 17.316 -5.530 1.00 10.00 C ATOM 1030 CG GLU A 79 -0.012 18.402 -5.713 1.00 10.00 C ATOM 1031 CD GLU A 79 1.192 18.204 -4.816 1.00 10.00 C ATOM 1032 OE1 GLU A 79 1.031 18.225 -3.576 1.00 10.00 O ATOM 1033 OE2 GLU A 79 2.307 18.026 -5.343 1.00 10.00 O ATOM 0 H GLU A 79 -1.855 14.868 -6.475 1.00 10.00 H new ATOM 0 HA GLU A 79 0.630 16.024 -5.349 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -1.714 17.301 -6.401 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -1.680 17.560 -4.668 1.00 10.00 H new ATOM 0 HG2 GLU A 79 0.313 18.417 -6.753 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -0.460 19.373 -5.505 1.00 10.00 H new ATOM 1040 N ASP A 80 -0.518 16.018 -2.914 1.00 10.00 N ATOM 1041 CA ASP A 80 -0.861 15.558 -1.573 1.00 10.00 C ATOM 1042 C ASP A 80 -2.366 15.650 -1.346 1.00 10.00 C ATOM 1043 O ASP A 80 -3.050 16.454 -1.988 1.00 10.00 O ATOM 1044 CB ASP A 80 -0.116 16.384 -0.519 1.00 10.00 C ATOM 1045 CG ASP A 80 0.028 15.656 0.806 1.00 10.00 C ATOM 1046 OD1 ASP A 80 1.051 14.966 1.002 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -0.873 15.781 1.662 1.00 10.00 O ATOM 0 H ASP A 80 0.018 16.886 -2.937 1.00 10.00 H new ATOM 0 HA ASP A 80 -0.558 14.515 -1.479 1.00 10.00 H new ATOM 0 HB2 ASP A 80 0.874 16.639 -0.897 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -0.647 17.322 -0.357 1.00 10.00 H new ATOM 1052 N GLU A 81 -2.873 14.804 -0.452 1.00 10.00 N ATOM 1053 CA GLU A 81 -4.294 14.770 -0.111 1.00 10.00 C ATOM 1054 C GLU A 81 -5.153 14.299 -1.282 1.00 10.00 C ATOM 1055 O GLU A 81 -6.307 14.706 -1.417 1.00 10.00 O ATOM 1056 CB GLU A 81 -4.780 16.143 0.367 1.00 10.00 C ATOM 1057 CG GLU A 81 -4.311 16.510 1.762 1.00 10.00 C ATOM 1058 CD GLU A 81 -5.248 17.487 2.435 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -4.934 18.689 2.478 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -6.316 17.050 2.917 1.00 10.00 O ATOM 0 H GLU A 81 -2.310 14.122 0.057 1.00 10.00 H new ATOM 0 HA GLU A 81 -4.403 14.050 0.700 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -4.435 16.904 -0.333 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -5.870 16.160 0.345 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -4.233 15.607 2.367 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -3.313 16.944 1.706 1.00 10.00 H new ATOM 1067 N ASP A 82 -4.599 13.439 -2.122 1.00 10.00 N ATOM 1068 CA ASP A 82 -5.342 12.911 -3.257 1.00 10.00 C ATOM 1069 C ASP A 82 -6.142 11.698 -2.808 1.00 10.00 C ATOM 1070 O ASP A 82 -5.787 11.052 -1.824 1.00 10.00 O ATOM 1071 CB ASP A 82 -4.405 12.534 -4.404 1.00 10.00 C ATOM 1072 CG ASP A 82 -4.959 12.951 -5.753 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -6.183 12.811 -5.969 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -4.177 13.439 -6.592 1.00 10.00 O ATOM 0 H ASP A 82 -3.643 13.093 -2.041 1.00 10.00 H new ATOM 0 HA ASP A 82 -6.019 13.683 -3.624 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -3.435 13.006 -4.249 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -4.240 11.457 -4.398 1.00 10.00 H new ATOM 1079 N THR A 83 -7.211 11.379 -3.517 1.00 10.00 N ATOM 1080 CA THR A 83 -8.054 10.255 -3.140 1.00 10.00 C ATOM 1081 C THR A 83 -8.007 9.129 -4.172 1.00 10.00 C ATOM 1082 O THR A 83 -8.280 9.332 -5.357 1.00 10.00 O ATOM 1083 CB THR A 83 -9.512 10.706 -2.940 1.00 10.00 C ATOM 1084 OG1 THR A 83 -9.539 11.929 -2.193 1.00 10.00 O ATOM 1085 CG2 THR A 83 -10.314 9.645 -2.202 1.00 10.00 C ATOM 0 H THR A 83 -7.516 11.879 -4.353 1.00 10.00 H new ATOM 0 HA THR A 83 -7.660 9.871 -2.199 1.00 10.00 H new ATOM 0 HB THR A 83 -9.961 10.860 -3.921 1.00 10.00 H new ATOM 0 HG1 THR A 83 -10.468 12.216 -2.068 1.00 10.00 H new ATOM 0 HG21 THR A 83 -11.340 9.989 -2.074 1.00 10.00 H new ATOM 0 HG22 THR A 83 -10.310 8.720 -2.778 1.00 10.00 H new ATOM 0 HG23 THR A 83 -9.867 9.465 -1.224 1.00 10.00 H new ATOM 1093 N ILE A 84 -7.657 7.940 -3.705 1.00 10.00 N ATOM 1094 CA ILE A 84 -7.583 6.767 -4.558 1.00 10.00 C ATOM 1095 C ILE A 84 -8.779 5.862 -4.286 1.00 10.00 C ATOM 1096 O ILE A 84 -9.105 5.584 -3.129 1.00 10.00 O ATOM 1097 CB ILE A 84 -6.279 5.978 -4.321 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.076 6.924 -4.292 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -6.098 4.923 -5.402 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -3.793 6.263 -3.839 1.00 10.00 C ATOM 0 H ILE A 84 -7.418 7.763 -2.729 1.00 10.00 H new ATOM 0 HA ILE A 84 -7.594 7.103 -5.595 1.00 10.00 H new ATOM 0 HB ILE A 84 -6.347 5.479 -3.354 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -4.928 7.340 -5.289 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -5.298 7.759 -3.628 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -5.174 4.373 -5.223 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -6.941 4.232 -5.381 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -6.049 5.406 -6.378 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -2.985 6.995 -3.844 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -3.922 5.872 -2.830 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.546 5.445 -4.516 1.00 10.00 H new ATOM 1112 N ASP A 85 -9.434 5.410 -5.345 1.00 10.00 N ATOM 1113 CA ASP A 85 -10.607 4.553 -5.213 1.00 10.00 C ATOM 1114 C ASP A 85 -10.236 3.085 -5.336 1.00 10.00 C ATOM 1115 O ASP A 85 -9.433 2.706 -6.192 1.00 10.00 O ATOM 1116 CB ASP A 85 -11.647 4.905 -6.278 1.00 10.00 C ATOM 1117 CG ASP A 85 -12.461 6.126 -5.913 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -13.356 6.012 -5.053 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -12.211 7.205 -6.495 1.00 10.00 O ATOM 0 H ASP A 85 -9.174 5.622 -6.308 1.00 10.00 H new ATOM 0 HA ASP A 85 -11.028 4.723 -4.222 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -11.144 5.079 -7.229 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -12.316 4.056 -6.422 1.00 10.00 H new ATOM 1124 N VAL A 86 -10.818 2.262 -4.472 1.00 10.00 N ATOM 1125 CA VAL A 86 -10.562 0.830 -4.485 1.00 10.00 C ATOM 1126 C VAL A 86 -11.866 0.053 -4.616 1.00 10.00 C ATOM 1127 O VAL A 86 -12.712 0.085 -3.717 1.00 10.00 O ATOM 1128 CB VAL A 86 -9.830 0.364 -3.210 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -9.327 -1.063 -3.377 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -8.681 1.298 -2.868 1.00 10.00 C ATOM 0 H VAL A 86 -11.473 2.565 -3.751 1.00 10.00 H new ATOM 0 HA VAL A 86 -9.923 0.632 -5.345 1.00 10.00 H new ATOM 0 HB VAL A 86 -10.541 0.388 -2.384 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -8.813 -1.376 -2.468 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -10.171 -1.727 -3.564 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -8.636 -1.109 -4.219 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -8.182 0.946 -1.965 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -7.968 1.315 -3.693 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -9.067 2.304 -2.701 1.00 10.00 H new ATOM 1140 N PHE A 87 -12.027 -0.630 -5.739 1.00 10.00 N ATOM 1141 CA PHE A 87 -13.220 -1.429 -5.996 1.00 10.00 C ATOM 1142 C PHE A 87 -12.847 -2.907 -6.037 1.00 10.00 C ATOM 1143 O PHE A 87 -11.709 -3.270 -5.740 1.00 10.00 O ATOM 1144 CB PHE A 87 -13.868 -1.020 -7.323 1.00 10.00 C ATOM 1145 CG PHE A 87 -14.197 0.439 -7.415 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -15.366 0.934 -6.865 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -13.336 1.315 -8.055 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -15.671 2.279 -6.950 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -13.636 2.659 -8.144 1.00 10.00 C ATOM 1150 CZ PHE A 87 -14.805 3.143 -7.590 1.00 10.00 C ATOM 0 H PHE A 87 -11.341 -0.648 -6.494 1.00 10.00 H new ATOM 0 HA PHE A 87 -13.937 -1.256 -5.193 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -13.196 -1.283 -8.140 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -14.782 -1.598 -7.463 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -16.047 0.262 -6.364 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -12.420 0.942 -8.489 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -16.586 2.654 -6.516 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -12.957 3.332 -8.647 1.00 10.00 H new ATOM 0 HZ PHE A 87 -15.041 4.195 -7.657 1.00 10.00 H new ATOM 1160 N GLN A 88 -13.798 -3.757 -6.408 1.00 10.00 N ATOM 1161 CA GLN A 88 -13.545 -5.190 -6.494 1.00 10.00 C ATOM 1162 C GLN A 88 -14.013 -5.741 -7.838 1.00 10.00 C ATOM 1163 O GLN A 88 -15.010 -5.278 -8.394 1.00 10.00 O ATOM 1164 CB GLN A 88 -14.245 -5.940 -5.361 1.00 10.00 C ATOM 1165 CG GLN A 88 -13.693 -5.619 -3.983 1.00 10.00 C ATOM 1166 CD GLN A 88 -13.973 -6.712 -2.972 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -13.966 -7.901 -3.302 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -14.237 -6.320 -1.739 1.00 10.00 N ATOM 0 H GLN A 88 -14.748 -3.479 -6.653 1.00 10.00 H new ATOM 0 HA GLN A 88 -12.469 -5.341 -6.402 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -15.308 -5.701 -5.381 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -14.156 -7.012 -5.538 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -12.617 -5.463 -4.055 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -14.128 -4.684 -3.631 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -14.232 -5.327 -1.508 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -14.445 -7.011 -1.018 1.00 10.00 H new ATOM 1177 N GLN A 89 -13.285 -6.727 -8.348 1.00 10.00 N ATOM 1178 CA GLN A 89 -13.612 -7.363 -9.619 1.00 10.00 C ATOM 1179 C GLN A 89 -14.907 -8.163 -9.497 1.00 10.00 C ATOM 1180 O GLN A 89 -15.110 -8.876 -8.511 1.00 10.00 O ATOM 1181 CB GLN A 89 -12.462 -8.280 -10.054 1.00 10.00 C ATOM 1182 CG GLN A 89 -12.738 -9.058 -11.332 1.00 10.00 C ATOM 1183 CD GLN A 89 -12.982 -8.156 -12.527 1.00 10.00 C ATOM 1184 OE1 GLN A 89 -12.421 -7.067 -12.626 1.00 10.00 O ATOM 1185 NE2 GLN A 89 -13.825 -8.603 -13.442 1.00 10.00 N ATOM 0 H GLN A 89 -12.454 -7.107 -7.894 1.00 10.00 H new ATOM 0 HA GLN A 89 -13.754 -6.589 -10.373 1.00 10.00 H new ATOM 0 HB2 GLN A 89 -11.564 -7.678 -10.195 1.00 10.00 H new ATOM 0 HB3 GLN A 89 -12.250 -8.985 -9.250 1.00 10.00 H new ATOM 0 HG2 GLN A 89 -11.893 -9.713 -11.543 1.00 10.00 H new ATOM 0 HG3 GLN A 89 -13.607 -9.698 -11.182 1.00 10.00 H new ATOM 0 HE21 GLN A 89 -14.271 -9.513 -13.324 1.00 10.00 H new ATOM 0 HE22 GLN A 89 -14.030 -8.038 -14.266 1.00 10.00 H new ATOM 1194 N GLN A 90 -15.770 -8.040 -10.498 1.00 10.00 N ATOM 1195 CA GLN A 90 -17.048 -8.743 -10.505 1.00 10.00 C ATOM 1196 C GLN A 90 -16.843 -10.257 -10.517 1.00 10.00 C ATOM 1197 O GLN A 90 -16.027 -10.779 -11.279 1.00 10.00 O ATOM 1198 CB GLN A 90 -17.886 -8.323 -11.716 1.00 10.00 C ATOM 1199 CG GLN A 90 -18.458 -6.918 -11.617 1.00 10.00 C ATOM 1200 CD GLN A 90 -17.442 -5.841 -11.955 1.00 10.00 C ATOM 1201 OE1 GLN A 90 -16.491 -6.077 -12.702 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -17.643 -4.650 -11.420 1.00 10.00 N ATOM 0 H GLN A 90 -15.607 -7.457 -11.319 1.00 10.00 H new ATOM 0 HA GLN A 90 -17.580 -8.473 -9.593 1.00 10.00 H new ATOM 0 HB2 GLN A 90 -17.269 -8.390 -12.612 1.00 10.00 H new ATOM 0 HB3 GLN A 90 -18.706 -9.030 -11.840 1.00 10.00 H new ATOM 0 HG2 GLN A 90 -19.311 -6.830 -12.290 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -18.832 -6.754 -10.606 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -18.443 -4.495 -10.806 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -16.998 -3.885 -11.621 1.00 10.00 H new ATOM 1211 N THR A 91 -17.584 -10.953 -9.665 1.00 10.00 N ATOM 1212 CA THR A 91 -17.492 -12.404 -9.564 1.00 10.00 C ATOM 1213 C THR A 91 -18.280 -13.096 -10.671 1.00 10.00 C ATOM 1214 O THR A 91 -18.021 -14.258 -10.999 1.00 10.00 O ATOM 1215 CB THR A 91 -18.020 -12.877 -8.202 1.00 10.00 C ATOM 1216 OG1 THR A 91 -18.826 -11.846 -7.620 1.00 10.00 O ATOM 1217 CG2 THR A 91 -16.877 -13.229 -7.265 1.00 10.00 C ATOM 0 H THR A 91 -18.261 -10.532 -9.029 1.00 10.00 H new ATOM 0 HA THR A 91 -16.440 -12.670 -9.669 1.00 10.00 H new ATOM 0 HB THR A 91 -18.621 -13.774 -8.355 1.00 10.00 H new ATOM 0 HG1 THR A 91 -19.165 -12.147 -6.751 1.00 10.00 H new ATOM 0 HG21 THR A 91 -17.280 -13.561 -6.308 1.00 10.00 H new ATOM 0 HG22 THR A 91 -16.280 -14.028 -7.704 1.00 10.00 H new ATOM 0 HG23 THR A 91 -16.250 -12.351 -7.110 1.00 10.00 H new ATOM 1225 N GLY A 92 -19.240 -12.382 -11.244 1.00 10.00 N ATOM 1226 CA GLY A 92 -20.052 -12.943 -12.305 1.00 10.00 C ATOM 1227 C GLY A 92 -20.353 -11.933 -13.392 1.00 10.00 C ATOM 1228 O GLY A 92 -19.812 -10.822 -13.383 1.00 10.00 O ATOM 0 H GLY A 92 -19.471 -11.421 -10.992 1.00 10.00 H new ATOM 0 HA2 GLY A 92 -19.537 -13.799 -12.740 1.00 10.00 H new ATOM 0 HA3 GLY A 92 -20.988 -13.313 -11.886 1.00 10.00 H new TER 1232 GLY A 92 ATOM 1233 N ASP B 195 -13.890 6.107 14.519 1.00 10.00 N ATOM 1234 CA ASP B 195 -14.016 5.528 13.191 1.00 10.00 C ATOM 1235 C ASP B 195 -12.795 4.666 12.905 1.00 10.00 C ATOM 1236 O ASP B 195 -12.119 4.234 13.841 1.00 10.00 O ATOM 1237 CB ASP B 195 -14.156 6.620 12.132 1.00 10.00 C ATOM 1238 CG ASP B 195 -15.049 6.181 10.994 1.00 10.00 C ATOM 1239 OD1 ASP B 195 -14.963 6.772 9.899 1.00 10.00 O ATOM 1240 OD2 ASP B 195 -15.848 5.239 11.192 1.00 10.00 O ATOM 0 HA ASP B 195 -14.915 4.912 13.155 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -14.565 7.521 12.589 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -13.171 6.879 11.743 1.00 10.00 H new ATOM 1245 N THR B 196 -12.486 4.430 11.631 1.00 10.00 N ATOM 1246 CA THR B 196 -11.333 3.619 11.301 1.00 10.00 C ATOM 1247 C THR B 196 -10.301 4.409 10.502 1.00 10.00 C ATOM 1248 O THR B 196 -10.596 4.966 9.443 1.00 10.00 O ATOM 1249 CB THR B 196 -11.745 2.371 10.504 1.00 10.00 C ATOM 1250 OG1 THR B 196 -13.169 2.349 10.311 1.00 10.00 O ATOM 1251 CG2 THR B 196 -11.302 1.107 11.225 1.00 10.00 C ATOM 0 H THR B 196 -13.010 4.784 10.831 1.00 10.00 H new ATOM 0 HA THR B 196 -10.883 3.311 12.245 1.00 10.00 H new ATOM 0 HB THR B 196 -11.256 2.410 9.531 1.00 10.00 H new ATOM 0 HG1 THR B 196 -13.418 1.550 9.801 1.00 10.00 H new ATOM 0 HG21 THR B 196 -11.602 0.234 10.646 1.00 10.00 H new ATOM 0 HG22 THR B 196 -10.218 1.113 11.337 1.00 10.00 H new ATOM 0 HG23 THR B 196 -11.768 1.067 12.210 1.00 10.00 H new ATOM 1259 N ALA B 197 -9.086 4.437 11.024 1.00 10.00 N ATOM 1260 CA ALA B 197 -7.985 5.133 10.389 1.00 10.00 C ATOM 1261 C ALA B 197 -6.820 4.176 10.186 1.00 10.00 C ATOM 1262 O ALA B 197 -6.386 3.519 11.130 1.00 10.00 O ATOM 1263 CB ALA B 197 -7.558 6.328 11.230 1.00 10.00 C ATOM 0 H ALA B 197 -8.838 3.977 11.900 1.00 10.00 H new ATOM 0 HA ALA B 197 -8.310 5.501 9.416 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -6.730 6.841 10.740 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -8.397 7.015 11.338 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -7.240 5.985 12.215 1.00 10.00 H new ATOM 1269 N GLY B 198 -6.316 4.109 8.973 1.00 10.00 N ATOM 1270 CA GLY B 198 -5.206 3.241 8.678 1.00 10.00 C ATOM 1271 C GLY B 198 -4.030 4.014 8.127 1.00 10.00 C ATOM 1272 O GLY B 198 -4.211 4.839 7.243 1.00 10.00 O ATOM 0 H GLY B 198 -6.660 4.647 8.177 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -4.904 2.714 9.583 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -5.516 2.485 7.957 1.00 10.00 H new ATOM 1276 N CYS B 199 -2.838 3.786 8.653 1.00 10.00 N ATOM 1277 CA CYS B 199 -1.666 4.495 8.160 1.00 10.00 C ATOM 1278 C CYS B 199 -0.656 3.495 7.613 1.00 10.00 C ATOM 1279 O CYS B 199 -0.270 2.543 8.293 1.00 10.00 O ATOM 1280 CB CYS B 199 -1.046 5.338 9.285 1.00 10.00 C ATOM 1281 SG CYS B 199 -2.260 6.042 10.429 1.00 10.00 S ATOM 0 H CYS B 199 -2.656 3.127 9.410 1.00 10.00 H new ATOM 0 HA CYS B 199 -1.962 5.168 7.355 1.00 10.00 H new ATOM 0 HB2 CYS B 199 -0.348 4.718 9.848 1.00 10.00 H new ATOM 0 HB3 CYS B 199 -0.467 6.148 8.842 1.00 10.00 H new ATOM 0 HG CYS B 199 -1.645 6.733 11.343 1.00 10.00 H new ATOM 1287 N ILE B 200 -0.271 3.688 6.363 1.00 10.00 N ATOM 1288 CA ILE B 200 0.690 2.815 5.712 1.00 10.00 C ATOM 1289 C ILE B 200 1.865 3.619 5.158 1.00 10.00 C ATOM 1290 O ILE B 200 1.657 4.652 4.520 1.00 10.00 O ATOM 1291 CB ILE B 200 0.036 2.000 4.569 1.00 10.00 C ATOM 1292 CG1 ILE B 200 -1.257 1.328 5.061 1.00 10.00 C ATOM 1293 CG2 ILE B 200 1.012 0.964 4.028 1.00 10.00 C ATOM 1294 CD1 ILE B 200 -1.704 0.146 4.226 1.00 10.00 C ATOM 0 H ILE B 200 -0.613 4.448 5.775 1.00 10.00 H new ATOM 0 HA ILE B 200 1.055 2.119 6.467 1.00 10.00 H new ATOM 0 HB ILE B 200 -0.221 2.682 3.758 1.00 10.00 H new ATOM 0 HG12 ILE B 200 -1.111 0.997 6.089 1.00 10.00 H new ATOM 0 HG13 ILE B 200 -2.055 2.070 5.075 1.00 10.00 H new ATOM 0 HG21 ILE B 200 0.536 0.400 3.226 1.00 10.00 H new ATOM 0 HG22 ILE B 200 1.899 1.466 3.642 1.00 10.00 H new ATOM 0 HG23 ILE B 200 1.300 0.283 4.829 1.00 10.00 H new ATOM 0 HD11 ILE B 200 -2.622 -0.268 4.643 1.00 10.00 H new ATOM 0 HD12 ILE B 200 -1.885 0.472 3.202 1.00 10.00 H new ATOM 0 HD13 ILE B 200 -0.927 -0.618 4.232 1.00 10.00 H new ATOM 1306 N VAL B 201 3.086 3.197 5.445 1.00 10.00 N ATOM 1307 CA VAL B 201 4.259 3.868 4.903 1.00 10.00 C ATOM 1308 C VAL B 201 5.104 2.867 4.098 1.00 10.00 C ATOM 1309 O VAL B 201 5.420 1.775 4.580 1.00 10.00 O ATOM 1310 CB VAL B 201 5.101 4.552 6.011 1.00 10.00 C ATOM 1311 CG1 VAL B 201 5.779 3.533 6.907 1.00 10.00 C ATOM 1312 CG2 VAL B 201 6.118 5.512 5.407 1.00 10.00 C ATOM 0 H VAL B 201 3.291 2.399 6.046 1.00 10.00 H new ATOM 0 HA VAL B 201 3.920 4.661 4.237 1.00 10.00 H new ATOM 0 HB VAL B 201 4.417 5.129 6.633 1.00 10.00 H new ATOM 0 HG11 VAL B 201 6.360 4.050 7.671 1.00 10.00 H new ATOM 0 HG12 VAL B 201 5.024 2.909 7.385 1.00 10.00 H new ATOM 0 HG13 VAL B 201 6.441 2.907 6.309 1.00 10.00 H new ATOM 0 HG21 VAL B 201 6.696 5.979 6.205 1.00 10.00 H new ATOM 0 HG22 VAL B 201 6.789 4.963 4.746 1.00 10.00 H new ATOM 0 HG23 VAL B 201 5.598 6.282 4.837 1.00 10.00 H new ATOM 1322 N ILE B 202 5.426 3.223 2.859 1.00 10.00 N ATOM 1323 CA ILE B 202 6.219 2.361 1.985 1.00 10.00 C ATOM 1324 C ILE B 202 7.470 3.083 1.496 1.00 10.00 C ATOM 1325 O ILE B 202 7.417 4.258 1.131 1.00 10.00 O ATOM 1326 CB ILE B 202 5.416 1.811 0.770 1.00 10.00 C ATOM 1327 CG1 ILE B 202 5.032 2.936 -0.200 1.00 10.00 C ATOM 1328 CG2 ILE B 202 4.182 1.051 1.248 1.00 10.00 C ATOM 1329 CD1 ILE B 202 4.049 2.519 -1.274 1.00 10.00 C ATOM 0 H ILE B 202 5.149 4.108 2.434 1.00 10.00 H new ATOM 0 HA ILE B 202 6.507 1.503 2.593 1.00 10.00 H new ATOM 0 HB ILE B 202 6.056 1.117 0.226 1.00 10.00 H new ATOM 0 HG12 ILE B 202 4.603 3.761 0.369 1.00 10.00 H new ATOM 0 HG13 ILE B 202 5.936 3.314 -0.677 1.00 10.00 H new ATOM 0 HG21 ILE B 202 3.631 0.673 0.387 1.00 10.00 H new ATOM 0 HG22 ILE B 202 4.490 0.216 1.877 1.00 10.00 H new ATOM 0 HG23 ILE B 202 3.542 1.721 1.822 1.00 10.00 H new ATOM 0 HD11 ILE B 202 3.830 3.371 -1.917 1.00 10.00 H new ATOM 0 HD12 ILE B 202 4.481 1.716 -1.871 1.00 10.00 H new ATOM 0 HD13 ILE B 202 3.128 2.170 -0.808 1.00 10.00 H new HETATM 1341 N SEP B 203 8.599 2.388 1.526 1.00 10.00 N HETATM 1342 CA SEP B 203 9.859 2.972 1.083 1.00 10.00 C HETATM 1343 CB SEP B 203 10.898 2.915 2.206 1.00 10.00 C HETATM 1344 OG SEP B 203 10.555 3.778 3.274 1.00 10.00 O HETATM 1345 C SEP B 203 10.395 2.220 -0.130 1.00 10.00 C HETATM 1346 O SEP B 203 10.432 0.989 -0.141 1.00 10.00 O HETATM 1347 P SEP B 203 11.490 5.020 3.624 1.00 10.00 P HETATM 1348 O1P SEP B 203 12.737 5.080 2.845 1.00 10.00 O HETATM 1349 O2P SEP B 203 11.692 5.227 5.066 1.00 10.00 O HETATM 1350 O3P SEP B 203 10.666 6.305 3.145 1.00 10.00 O HETATM 0 HB3 SEP B 203 10.981 1.893 2.575 1.00 10.00 H new HETATM 0 HB2 SEP B 203 11.876 3.192 1.813 1.00 10.00 H new HETATM 0 HA SEP B 203 9.674 4.012 0.813 1.00 10.00 H new ATOM 1355 N ASP B 204 10.733 2.960 -1.177 1.00 10.00 N ATOM 1356 CA ASP B 204 11.281 2.352 -2.382 1.00 10.00 C ATOM 1357 C ASP B 204 12.635 2.964 -2.721 1.00 10.00 C ATOM 1358 O ASP B 204 12.766 4.182 -2.814 1.00 10.00 O ATOM 1359 CB ASP B 204 10.324 2.516 -3.561 1.00 10.00 C ATOM 1360 CG ASP B 204 10.533 1.458 -4.620 1.00 10.00 C ATOM 1361 OD1 ASP B 204 11.373 1.658 -5.520 1.00 10.00 O ATOM 1362 OD2 ASP B 204 9.848 0.416 -4.559 1.00 10.00 O ATOM 0 H ASP B 204 10.638 3.975 -1.217 1.00 10.00 H new ATOM 0 HA ASP B 204 11.412 1.287 -2.190 1.00 10.00 H new ATOM 0 HB2 ASP B 204 9.296 2.469 -3.201 1.00 10.00 H new ATOM 0 HB3 ASP B 204 10.462 3.502 -4.004 1.00 10.00 H new HETATM 1367 N SEP B 205 13.639 2.127 -2.904 1.00 10.00 N HETATM 1368 CA SEP B 205 14.963 2.612 -3.243 1.00 10.00 C HETATM 1369 CB SEP B 205 15.944 2.283 -2.114 1.00 10.00 C HETATM 1370 OG SEP B 205 15.614 1.049 -1.494 1.00 10.00 O HETATM 1371 C SEP B 205 15.428 2.015 -4.565 1.00 10.00 C HETATM 1372 O SEP B 205 15.380 0.798 -4.767 1.00 10.00 O HETATM 1373 P SEP B 205 14.766 1.026 -0.138 1.00 10.00 P HETATM 1374 O1P SEP B 205 15.445 0.343 0.974 1.00 10.00 O HETATM 1375 O2P SEP B 205 14.178 2.326 0.243 1.00 10.00 O HETATM 1376 O3P SEP B 205 13.511 0.091 -0.475 1.00 10.00 O HETATM 0 HB3 SEP B 205 16.958 2.234 -2.512 1.00 10.00 H new HETATM 0 HB2 SEP B 205 15.931 3.081 -1.372 1.00 10.00 H new HETATM 0 HA SEP B 205 14.925 3.695 -3.362 1.00 10.00 H new ATOM 1381 N GLU B 206 15.876 2.873 -5.469 1.00 10.00 N ATOM 1382 CA GLU B 206 16.359 2.436 -6.771 1.00 10.00 C ATOM 1383 C GLU B 206 17.825 2.024 -6.685 1.00 10.00 C ATOM 1384 O GLU B 206 18.482 2.265 -5.670 1.00 10.00 O ATOM 1385 CB GLU B 206 16.182 3.557 -7.800 1.00 10.00 C ATOM 1386 CG GLU B 206 16.678 3.202 -9.194 1.00 10.00 C ATOM 1387 CD GLU B 206 15.861 2.107 -9.847 1.00 10.00 C ATOM 1388 OE1 GLU B 206 16.043 0.932 -9.482 1.00 10.00 O ATOM 1389 OE2 GLU B 206 15.045 2.415 -10.738 1.00 10.00 O ATOM 0 H GLU B 206 15.915 3.882 -5.324 1.00 10.00 H new ATOM 0 HA GLU B 206 15.776 1.571 -7.088 1.00 10.00 H new ATOM 0 HB2 GLU B 206 15.126 3.820 -7.857 1.00 10.00 H new ATOM 0 HB3 GLU B 206 16.713 4.443 -7.452 1.00 10.00 H new ATOM 0 HG2 GLU B 206 16.651 4.093 -9.822 1.00 10.00 H new ATOM 0 HG3 GLU B 206 17.719 2.885 -9.134 1.00 10.00 H new TER 1396 GLU B 206