USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 760 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 93 ASN : amide:sc= 0.637 K(o=0.64,f=-9.6!) USER MOD Set 1.2: A 95 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 39 THR OG1 : rot 180:sc= -0.0854 USER MOD Set 3.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 32 THR OG1 : rot 180:sc= -0.0487 USER MOD Single : A 3 HIS : no HD1:sc= -0.539 X(o=-0.54,f=-0.14) USER MOD Single : A 4 SER OG : rot -23:sc= 0.643 USER MOD Single : A 11 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00112) USER MOD Single : A 19 ASN :FLIP amide:sc= -2.26! C(o=-3.1!,f=-2.3!) USER MOD Single : A 23 SER OG : rot 180:sc= -1.83! USER MOD Single : A 31 SER OG : rot -22:sc= 1.3 USER MOD Single : A 36 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0821) USER MOD Single : A 38 HIS : no HD1:sc= -0.0457 X(o=-0.046,f=-0.47) USER MOD Single : A 43 SER OG : rot -106:sc= -0.7! USER MOD Single : A 44 THR OG1 : rot -10:sc= 0.484 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -5.03! C(o=-5!,f=-7.2!) USER MOD Single : A 51 THR OG1 : rot -41:sc= -0.816 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 160:sc= -2.8! USER MOD Single : A 57 LYS NZ :NH3+ 173:sc=-0.00728 (180deg=-0.0964) USER MOD Single : A 58 MET CE :methyl -176:sc= 0 (180deg=-0.00633) USER MOD Single : A 59 MET CE :methyl -113:sc= -0.197 (180deg=-2.31!) USER MOD Single : A 65 LYS NZ :NH3+ -129:sc= -0.147 (180deg=-0.785) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.14 F(o=-1.7,f=-0.14) USER MOD Single : A 87 HIS :FLIP no HD1:sc= -0.475 F(o=-1.3,f=-0.48) USER MOD Single : A 88 MET CE :methyl -109:sc= -0.0878 (180deg=-5.08!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 MET CE :methyl -157:sc= -2.57! (180deg=-5.66!) USER MOD Single : A 99 ASN :FLIP amide:sc= -0.454 F(o=-1.2,f=-0.45) USER MOD Single : A 101 LYS NZ :NH3+ -170:sc= 1.17 (180deg=1.06) USER MOD Single : A 102 MET CE :methyl -156:sc= -0.166 (180deg=-0.797) USER MOD Single : A 103 THR OG1 : rot 87:sc= 1.25 USER MOD Single : A 105 GLN : amide:sc= -0.447 K(o=-0.45,f=-1) USER MOD Single : A 106 GLN : amide:sc= 1.2 K(o=1.2,f=-0.048) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 14.547 -2.625 2.672 1.00 0.35 N ATOM 29 CA HIS A 3 14.037 -1.352 2.173 1.00 0.24 C ATOM 30 C HIS A 3 13.949 -1.359 0.652 1.00 0.16 C ATOM 31 O HIS A 3 13.819 -0.315 0.026 1.00 0.19 O ATOM 32 CB HIS A 3 14.951 -0.196 2.608 1.00 0.32 C ATOM 33 CG HIS A 3 14.860 0.191 4.054 1.00 0.71 C ATOM 34 ND1 HIS A 3 15.451 -0.526 5.073 1.00 1.12 N ATOM 35 CD2 HIS A 3 14.258 1.250 4.646 1.00 1.43 C ATOM 36 CE1 HIS A 3 15.214 0.073 6.225 1.00 1.64 C ATOM 37 NE2 HIS A 3 14.494 1.151 5.992 1.00 1.85 N ATOM 0 HA HIS A 3 13.041 -1.212 2.592 1.00 0.24 H new ATOM 0 HB2 HIS A 3 15.983 -0.469 2.387 1.00 0.32 H new ATOM 0 HB3 HIS A 3 14.716 0.678 2.001 1.00 0.32 H new ATOM 0 HD2 HIS A 3 13.697 2.028 4.150 1.00 1.43 H new ATOM 0 HE1 HIS A 3 15.553 -0.263 7.194 1.00 1.64 H new ATOM 0 HE2 HIS A 3 14.165 1.807 6.700 1.00 1.85 H new ATOM 46 N SER A 4 14.026 -2.532 0.063 1.00 0.14 N ATOM 47 CA SER A 4 14.002 -2.671 -1.391 1.00 0.13 C ATOM 48 C SER A 4 13.622 -4.099 -1.769 1.00 0.15 C ATOM 49 O SER A 4 14.005 -5.054 -1.089 1.00 0.24 O ATOM 50 CB SER A 4 15.361 -2.320 -2.015 1.00 0.17 C ATOM 51 OG SER A 4 15.848 -1.068 -1.554 1.00 0.95 O ATOM 0 H SER A 4 14.107 -3.415 0.567 1.00 0.14 H new ATOM 0 HA SER A 4 13.260 -1.974 -1.779 1.00 0.13 H new ATOM 0 HB2 SER A 4 16.083 -3.101 -1.776 1.00 0.17 H new ATOM 0 HB3 SER A 4 15.266 -2.295 -3.101 1.00 0.17 H new ATOM 0 HG SER A 4 15.098 -0.521 -1.240 1.00 0.95 H new ATOM 57 N GLY A 5 12.861 -4.232 -2.840 1.00 0.14 N ATOM 58 CA GLY A 5 12.432 -5.529 -3.314 1.00 0.15 C ATOM 59 C GLY A 5 11.592 -5.383 -4.558 1.00 0.15 C ATOM 60 O GLY A 5 10.925 -4.368 -4.731 1.00 0.16 O ATOM 0 H GLY A 5 12.526 -3.448 -3.400 1.00 0.14 H new ATOM 0 HA2 GLY A 5 13.301 -6.152 -3.526 1.00 0.15 H new ATOM 0 HA3 GLY A 5 11.858 -6.035 -2.538 1.00 0.15 H new ATOM 64 N ALA A 6 11.628 -6.367 -5.438 1.00 0.16 N ATOM 65 CA ALA A 6 10.910 -6.268 -6.699 1.00 0.17 C ATOM 66 C ALA A 6 9.405 -6.457 -6.495 1.00 0.21 C ATOM 67 O ALA A 6 8.980 -7.306 -5.707 1.00 0.43 O ATOM 68 CB ALA A 6 11.440 -7.281 -7.700 1.00 0.21 C ATOM 0 H ALA A 6 12.142 -7.238 -5.306 1.00 0.16 H new ATOM 0 HA ALA A 6 11.074 -5.267 -7.097 1.00 0.17 H new ATOM 0 HB1 ALA A 6 10.889 -7.190 -8.636 1.00 0.21 H new ATOM 0 HB2 ALA A 6 12.498 -7.093 -7.882 1.00 0.21 H new ATOM 0 HB3 ALA A 6 11.313 -8.287 -7.301 1.00 0.21 H new ATOM 74 N ALA A 7 8.600 -5.672 -7.206 1.00 0.11 N ATOM 75 CA ALA A 7 7.146 -5.757 -7.098 1.00 0.12 C ATOM 76 C ALA A 7 6.462 -5.404 -8.411 1.00 0.12 C ATOM 77 O ALA A 7 6.993 -4.661 -9.227 1.00 0.13 O ATOM 78 CB ALA A 7 6.633 -4.839 -6.003 1.00 0.12 C ATOM 0 H ALA A 7 8.931 -4.968 -7.865 1.00 0.11 H new ATOM 0 HA ALA A 7 6.905 -6.791 -6.849 1.00 0.12 H new ATOM 0 HB1 ALA A 7 5.548 -4.919 -5.940 1.00 0.12 H new ATOM 0 HB2 ALA A 7 7.074 -5.129 -5.049 1.00 0.12 H new ATOM 0 HB3 ALA A 7 6.909 -3.810 -6.232 1.00 0.12 H new ATOM 84 N ILE A 8 5.274 -5.941 -8.593 1.00 0.15 N ATOM 85 CA ILE A 8 4.439 -5.659 -9.751 1.00 0.19 C ATOM 86 C ILE A 8 3.453 -4.561 -9.396 1.00 0.22 C ATOM 87 O ILE A 8 2.617 -4.732 -8.515 1.00 0.26 O ATOM 88 CB ILE A 8 3.649 -6.917 -10.206 1.00 0.23 C ATOM 89 CG1 ILE A 8 4.557 -7.987 -10.830 1.00 0.26 C ATOM 90 CG2 ILE A 8 2.556 -6.531 -11.186 1.00 0.29 C ATOM 91 CD1 ILE A 8 5.539 -8.627 -9.870 1.00 0.25 C ATOM 0 H ILE A 8 4.852 -6.595 -7.934 1.00 0.15 H new ATOM 0 HA ILE A 8 5.088 -5.348 -10.569 1.00 0.19 H new ATOM 0 HB ILE A 8 3.202 -7.350 -9.311 1.00 0.23 H new ATOM 0 HG12 ILE A 8 3.931 -8.768 -11.261 1.00 0.26 H new ATOM 0 HG13 ILE A 8 5.115 -7.536 -11.651 1.00 0.26 H new ATOM 0 HG21 ILE A 8 2.012 -7.424 -11.495 1.00 0.29 H new ATOM 0 HG22 ILE A 8 1.868 -5.834 -10.707 1.00 0.29 H new ATOM 0 HG23 ILE A 8 3.002 -6.057 -12.060 1.00 0.29 H new ATOM 0 HD11 ILE A 8 6.136 -9.369 -10.401 1.00 0.25 H new ATOM 0 HD12 ILE A 8 6.195 -7.861 -9.457 1.00 0.25 H new ATOM 0 HD13 ILE A 8 4.993 -9.112 -9.061 1.00 0.25 H new ATOM 103 N PHE A 9 3.556 -3.439 -10.072 1.00 0.28 N ATOM 104 CA PHE A 9 2.698 -2.312 -9.781 1.00 0.34 C ATOM 105 C PHE A 9 1.845 -1.977 -10.994 1.00 0.46 C ATOM 106 O PHE A 9 2.355 -1.499 -12.004 1.00 0.52 O ATOM 107 CB PHE A 9 3.547 -1.115 -9.346 1.00 0.35 C ATOM 108 CG PHE A 9 2.793 0.167 -9.140 1.00 0.40 C ATOM 109 CD1 PHE A 9 1.940 0.328 -8.063 1.00 0.40 C ATOM 110 CD2 PHE A 9 2.968 1.225 -10.015 1.00 0.50 C ATOM 111 CE1 PHE A 9 1.273 1.522 -7.865 1.00 0.45 C ATOM 112 CE2 PHE A 9 2.300 2.416 -9.824 1.00 0.56 C ATOM 113 CZ PHE A 9 1.452 2.566 -8.749 1.00 0.52 C ATOM 0 H PHE A 9 4.224 -3.282 -10.826 1.00 0.28 H new ATOM 0 HA PHE A 9 2.026 -2.567 -8.962 1.00 0.34 H new ATOM 0 HB2 PHE A 9 4.056 -1.371 -8.417 1.00 0.35 H new ATOM 0 HB3 PHE A 9 4.319 -0.946 -10.097 1.00 0.35 H new ATOM 0 HD1 PHE A 9 1.794 -0.487 -7.370 1.00 0.40 H new ATOM 0 HD2 PHE A 9 3.635 1.116 -10.857 1.00 0.50 H new ATOM 0 HE1 PHE A 9 0.612 1.638 -7.019 1.00 0.45 H new ATOM 0 HE2 PHE A 9 2.442 3.232 -10.518 1.00 0.56 H new ATOM 0 HZ PHE A 9 0.929 3.499 -8.598 1.00 0.52 H new ATOM 123 N GLU A 10 0.550 -2.257 -10.881 1.00 0.58 N ATOM 124 CA GLU A 10 -0.410 -2.038 -11.963 1.00 0.73 C ATOM 125 C GLU A 10 -0.130 -2.971 -13.128 1.00 0.64 C ATOM 126 O GLU A 10 -0.070 -2.557 -14.289 1.00 0.67 O ATOM 127 CB GLU A 10 -0.400 -0.588 -12.430 1.00 0.87 C ATOM 128 CG GLU A 10 -0.641 0.399 -11.307 1.00 0.98 C ATOM 129 CD GLU A 10 -0.804 1.817 -11.804 1.00 1.21 C ATOM 130 OE1 GLU A 10 0.175 2.385 -12.327 1.00 1.25 O ATOM 131 OE2 GLU A 10 -1.910 2.378 -11.658 1.00 1.46 O ATOM 0 H GLU A 10 0.133 -2.644 -10.034 1.00 0.58 H new ATOM 0 HA GLU A 10 -1.403 -2.258 -11.571 1.00 0.73 H new ATOM 0 HB2 GLU A 10 0.560 -0.370 -12.898 1.00 0.87 H new ATOM 0 HB3 GLU A 10 -1.165 -0.453 -13.195 1.00 0.87 H new ATOM 0 HG2 GLU A 10 -1.535 0.106 -10.756 1.00 0.98 H new ATOM 0 HG3 GLU A 10 0.193 0.357 -10.606 1.00 0.98 H new ATOM 138 N LYS A 11 0.057 -4.232 -12.778 1.00 0.58 N ATOM 139 CA LYS A 11 0.171 -5.337 -13.732 1.00 0.55 C ATOM 140 C LYS A 11 1.483 -5.317 -14.516 1.00 0.49 C ATOM 141 O LYS A 11 1.670 -6.106 -15.443 1.00 0.56 O ATOM 142 CB LYS A 11 -1.028 -5.361 -14.677 1.00 0.65 C ATOM 143 CG LYS A 11 -2.336 -5.262 -13.925 1.00 0.74 C ATOM 144 CD LYS A 11 -2.562 -6.434 -13.008 1.00 1.29 C ATOM 145 CE LYS A 11 -3.496 -6.063 -11.879 1.00 1.32 C ATOM 146 NZ LYS A 11 -4.873 -5.780 -12.360 1.00 1.91 N ATOM 0 H LYS A 11 0.136 -4.529 -11.805 1.00 0.58 H new ATOM 0 HA LYS A 11 0.177 -6.256 -13.145 1.00 0.55 H new ATOM 0 HB2 LYS A 11 -0.951 -4.534 -15.383 1.00 0.65 H new ATOM 0 HB3 LYS A 11 -1.013 -6.281 -15.261 1.00 0.65 H new ATOM 0 HG2 LYS A 11 -2.348 -4.341 -13.342 1.00 0.74 H new ATOM 0 HG3 LYS A 11 -3.158 -5.199 -14.638 1.00 0.74 H new ATOM 0 HD2 LYS A 11 -2.980 -7.267 -13.573 1.00 1.29 H new ATOM 0 HD3 LYS A 11 -1.609 -6.771 -12.601 1.00 1.29 H new ATOM 0 HE2 LYS A 11 -3.526 -6.875 -11.153 1.00 1.32 H new ATOM 0 HE3 LYS A 11 -3.107 -5.187 -11.361 1.00 1.32 H new ATOM 0 HZ1 LYS A 11 -5.482 -5.547 -11.550 1.00 1.91 H new ATOM 0 HZ2 LYS A 11 -4.852 -4.977 -13.020 1.00 1.91 H new ATOM 0 HZ3 LYS A 11 -5.250 -6.618 -12.847 1.00 1.91 H new ATOM 160 N VAL A 12 2.389 -4.423 -14.151 1.00 0.44 N ATOM 161 CA VAL A 12 3.739 -4.448 -14.701 1.00 0.42 C ATOM 162 C VAL A 12 4.754 -4.773 -13.607 1.00 0.35 C ATOM 163 O VAL A 12 4.702 -4.211 -12.511 1.00 0.30 O ATOM 164 CB VAL A 12 4.128 -3.122 -15.408 1.00 0.47 C ATOM 165 CG1 VAL A 12 3.561 -1.910 -14.687 1.00 0.47 C ATOM 166 CG2 VAL A 12 5.641 -3.009 -15.510 1.00 0.46 C ATOM 0 H VAL A 12 2.217 -3.674 -13.480 1.00 0.44 H new ATOM 0 HA VAL A 12 3.752 -5.231 -15.459 1.00 0.42 H new ATOM 0 HB VAL A 12 3.697 -3.142 -16.409 1.00 0.47 H new ATOM 0 HG11 VAL A 12 3.856 -1.002 -15.214 1.00 0.47 H new ATOM 0 HG12 VAL A 12 2.473 -1.978 -14.662 1.00 0.47 H new ATOM 0 HG13 VAL A 12 3.946 -1.880 -13.668 1.00 0.47 H new ATOM 0 HG21 VAL A 12 5.903 -2.075 -16.008 1.00 0.46 H new ATOM 0 HG22 VAL A 12 6.075 -3.022 -14.510 1.00 0.46 H new ATOM 0 HG23 VAL A 12 6.031 -3.849 -16.086 1.00 0.46 H new ATOM 176 N SER A 13 5.659 -5.699 -13.902 1.00 0.35 N ATOM 177 CA SER A 13 6.695 -6.082 -12.957 1.00 0.30 C ATOM 178 C SER A 13 7.766 -5.011 -12.868 1.00 0.28 C ATOM 179 O SER A 13 8.228 -4.482 -13.880 1.00 0.40 O ATOM 180 CB SER A 13 7.323 -7.425 -13.347 1.00 0.34 C ATOM 181 OG SER A 13 8.316 -7.820 -12.411 1.00 1.02 O ATOM 0 H SER A 13 5.694 -6.198 -14.791 1.00 0.35 H new ATOM 0 HA SER A 13 6.229 -6.190 -11.978 1.00 0.30 H new ATOM 0 HB2 SER A 13 6.548 -8.189 -13.403 1.00 0.34 H new ATOM 0 HB3 SER A 13 7.766 -7.347 -14.340 1.00 0.34 H new ATOM 0 HG SER A 13 8.698 -8.680 -12.683 1.00 1.02 H new ATOM 187 N GLY A 14 8.147 -4.692 -11.648 1.00 0.16 N ATOM 188 CA GLY A 14 9.174 -3.717 -11.424 1.00 0.14 C ATOM 189 C GLY A 14 9.853 -3.901 -10.096 1.00 0.12 C ATOM 190 O GLY A 14 9.832 -4.991 -9.530 1.00 0.14 O ATOM 0 H GLY A 14 7.755 -5.100 -10.799 1.00 0.16 H new ATOM 0 HA2 GLY A 14 9.915 -3.783 -12.221 1.00 0.14 H new ATOM 0 HA3 GLY A 14 8.741 -2.718 -11.473 1.00 0.14 H new ATOM 194 N ILE A 15 10.469 -2.848 -9.601 1.00 0.11 N ATOM 195 CA ILE A 15 11.176 -2.904 -8.341 1.00 0.12 C ATOM 196 C ILE A 15 10.657 -1.841 -7.396 1.00 0.10 C ATOM 197 O ILE A 15 10.141 -0.825 -7.818 1.00 0.08 O ATOM 198 CB ILE A 15 12.691 -2.708 -8.524 1.00 0.15 C ATOM 199 CG1 ILE A 15 13.216 -3.561 -9.676 1.00 0.17 C ATOM 200 CG2 ILE A 15 13.447 -3.038 -7.245 1.00 0.17 C ATOM 201 CD1 ILE A 15 13.193 -5.049 -9.433 1.00 0.19 C ATOM 0 H ILE A 15 10.493 -1.936 -10.057 1.00 0.11 H new ATOM 0 HA ILE A 15 11.001 -3.895 -7.923 1.00 0.12 H new ATOM 0 HB ILE A 15 12.859 -1.658 -8.762 1.00 0.15 H new ATOM 0 HG12 ILE A 15 12.625 -3.345 -10.566 1.00 0.17 H new ATOM 0 HG13 ILE A 15 14.241 -3.260 -9.893 1.00 0.17 H new ATOM 0 HG21 ILE A 15 14.515 -2.890 -7.405 1.00 0.17 H new ATOM 0 HG22 ILE A 15 13.107 -2.384 -6.442 1.00 0.17 H new ATOM 0 HG23 ILE A 15 13.262 -4.076 -6.970 1.00 0.17 H new ATOM 0 HD11 ILE A 15 13.585 -5.567 -10.308 1.00 0.19 H new ATOM 0 HD12 ILE A 15 13.809 -5.286 -8.565 1.00 0.19 H new ATOM 0 HD13 ILE A 15 12.168 -5.372 -9.249 1.00 0.19 H new ATOM 213 N ILE A 16 10.791 -2.099 -6.123 1.00 0.13 N ATOM 214 CA ILE A 16 10.363 -1.175 -5.094 1.00 0.11 C ATOM 215 C ILE A 16 11.525 -0.844 -4.173 1.00 0.12 C ATOM 216 O ILE A 16 12.278 -1.729 -3.765 1.00 0.15 O ATOM 217 CB ILE A 16 9.180 -1.764 -4.294 1.00 0.12 C ATOM 218 CG1 ILE A 16 7.921 -0.968 -4.597 1.00 0.12 C ATOM 219 CG2 ILE A 16 9.450 -1.776 -2.790 1.00 0.13 C ATOM 220 CD1 ILE A 16 6.672 -1.583 -4.019 1.00 0.16 C ATOM 0 H ILE A 16 11.202 -2.960 -5.763 1.00 0.13 H new ATOM 0 HA ILE A 16 10.024 -0.254 -5.569 1.00 0.11 H new ATOM 0 HB ILE A 16 9.048 -2.801 -4.603 1.00 0.12 H new ATOM 0 HG12 ILE A 16 8.035 0.042 -4.204 1.00 0.12 H new ATOM 0 HG13 ILE A 16 7.807 -0.879 -5.677 1.00 0.12 H new ATOM 0 HG21 ILE A 16 8.591 -2.199 -2.269 1.00 0.13 H new ATOM 0 HG22 ILE A 16 10.333 -2.381 -2.584 1.00 0.13 H new ATOM 0 HG23 ILE A 16 9.619 -0.757 -2.443 1.00 0.13 H new ATOM 0 HD11 ILE A 16 5.811 -0.965 -4.273 1.00 0.16 H new ATOM 0 HD12 ILE A 16 6.535 -2.583 -4.431 1.00 0.16 H new ATOM 0 HD13 ILE A 16 6.766 -1.647 -2.935 1.00 0.16 H new ATOM 232 N ALA A 17 11.702 0.431 -3.892 1.00 0.10 N ATOM 233 CA ALA A 17 12.746 0.856 -2.981 1.00 0.10 C ATOM 234 C ALA A 17 12.248 1.916 -2.006 1.00 0.08 C ATOM 235 O ALA A 17 11.981 3.049 -2.392 1.00 0.08 O ATOM 236 CB ALA A 17 13.943 1.359 -3.765 1.00 0.12 C ATOM 0 H ALA A 17 11.139 1.188 -4.279 1.00 0.10 H new ATOM 0 HA ALA A 17 13.049 -0.006 -2.387 1.00 0.10 H new ATOM 0 HB1 ALA A 17 14.723 1.677 -3.074 1.00 0.12 H new ATOM 0 HB2 ALA A 17 14.324 0.559 -4.400 1.00 0.12 H new ATOM 0 HB3 ALA A 17 13.643 2.203 -4.386 1.00 0.12 H new ATOM 242 N ILE A 18 12.117 1.534 -0.749 1.00 0.08 N ATOM 243 CA ILE A 18 11.816 2.472 0.317 1.00 0.08 C ATOM 244 C ILE A 18 13.118 3.080 0.808 1.00 0.09 C ATOM 245 O ILE A 18 14.009 2.364 1.259 1.00 0.18 O ATOM 246 CB ILE A 18 11.157 1.829 1.548 1.00 0.10 C ATOM 247 CG1 ILE A 18 10.005 0.905 1.148 1.00 0.12 C ATOM 248 CG2 ILE A 18 10.677 2.924 2.504 1.00 0.13 C ATOM 249 CD1 ILE A 18 10.428 -0.525 0.931 1.00 0.12 C ATOM 0 H ILE A 18 12.216 0.567 -0.439 1.00 0.08 H new ATOM 0 HA ILE A 18 11.122 3.197 -0.108 1.00 0.08 H new ATOM 0 HB ILE A 18 11.899 1.213 2.057 1.00 0.10 H new ATOM 0 HG12 ILE A 18 9.240 0.935 1.923 1.00 0.12 H new ATOM 0 HG13 ILE A 18 9.548 1.283 0.234 1.00 0.12 H new ATOM 0 HG21 ILE A 18 10.210 2.466 3.376 1.00 0.13 H new ATOM 0 HG22 ILE A 18 11.527 3.527 2.822 1.00 0.13 H new ATOM 0 HG23 ILE A 18 9.952 3.559 1.995 1.00 0.13 H new ATOM 0 HD11 ILE A 18 9.561 -1.122 0.650 1.00 0.12 H new ATOM 0 HD12 ILE A 18 11.171 -0.568 0.135 1.00 0.12 H new ATOM 0 HD13 ILE A 18 10.858 -0.921 1.851 1.00 0.12 H new ATOM 261 N ASN A 19 13.238 4.375 0.732 1.00 0.13 N ATOM 262 CA ASN A 19 14.438 5.041 1.183 1.00 0.18 C ATOM 263 C ASN A 19 14.096 6.112 2.170 1.00 0.20 C ATOM 264 O ASN A 19 13.216 6.933 1.911 1.00 0.21 O ATOM 265 CB ASN A 19 15.190 5.635 -0.016 1.00 0.22 C ATOM 266 CG ASN A 19 16.062 6.822 0.353 1.00 0.43 C ATOM 267 OD1 ASN A 19 15.524 8.023 0.184 1.00 1.12 O flip ATOM 268 ND2 ASN A 19 17.206 6.664 0.772 1.00 0.29 N flip ATOM 0 H ASN A 19 12.520 4.997 0.361 1.00 0.13 H new ATOM 0 HA ASN A 19 15.084 4.313 1.675 1.00 0.18 H new ATOM 0 HB2 ASN A 19 15.812 4.861 -0.466 1.00 0.22 H new ATOM 0 HB3 ASN A 19 14.468 5.944 -0.772 1.00 0.22 H new ATOM 0 HD21 ASN A 19 17.581 5.723 0.887 1.00 0.29 H new ATOM 0 HD22 ASN A 19 17.780 7.474 1.005 1.00 0.29 H new ATOM 275 N GLU A 20 14.750 6.114 3.320 1.00 0.24 N ATOM 276 CA GLU A 20 14.700 7.311 4.091 1.00 0.28 C ATOM 277 C GLU A 20 16.085 7.943 4.052 1.00 0.34 C ATOM 278 O GLU A 20 16.918 7.715 4.927 1.00 0.40 O ATOM 279 CB GLU A 20 14.361 6.993 5.544 1.00 0.33 C ATOM 280 CG GLU A 20 13.135 6.132 5.730 1.00 0.33 C ATOM 281 CD GLU A 20 12.830 5.918 7.191 1.00 0.55 C ATOM 282 OE1 GLU A 20 12.815 6.905 7.955 1.00 0.70 O ATOM 283 OE2 GLU A 20 12.582 4.756 7.580 1.00 0.74 O ATOM 0 H GLU A 20 15.288 5.341 3.711 1.00 0.24 H new ATOM 0 HA GLU A 20 13.940 7.978 3.685 1.00 0.28 H new ATOM 0 HB2 GLU A 20 15.214 6.491 6.001 1.00 0.33 H new ATOM 0 HB3 GLU A 20 14.216 7.929 6.083 1.00 0.33 H new ATOM 0 HG2 GLU A 20 12.281 6.603 5.243 1.00 0.33 H new ATOM 0 HG3 GLU A 20 13.288 5.169 5.244 1.00 0.33 H new ATOM 290 N ASP A 21 16.317 8.712 3.013 1.00 0.35 N ATOM 291 CA ASP A 21 17.306 9.773 2.972 1.00 0.41 C ATOM 292 C ASP A 21 16.551 11.044 2.665 1.00 0.41 C ATOM 293 O ASP A 21 17.042 12.167 2.779 1.00 0.46 O ATOM 294 CB ASP A 21 18.370 9.475 1.910 1.00 0.44 C ATOM 295 CG ASP A 21 19.304 10.642 1.661 1.00 0.51 C ATOM 296 OD1 ASP A 21 20.272 10.809 2.432 1.00 0.59 O ATOM 297 OD2 ASP A 21 19.073 11.400 0.697 1.00 0.53 O ATOM 0 H ASP A 21 15.803 8.614 2.137 1.00 0.35 H new ATOM 0 HA ASP A 21 17.838 9.864 3.919 1.00 0.41 H new ATOM 0 HB2 ASP A 21 18.955 8.610 2.223 1.00 0.44 H new ATOM 0 HB3 ASP A 21 17.877 9.206 0.976 1.00 0.44 H new ATOM 302 N VAL A 22 15.303 10.796 2.309 1.00 0.35 N ATOM 303 CA VAL A 22 14.494 11.697 1.514 1.00 0.33 C ATOM 304 C VAL A 22 13.483 12.475 2.368 1.00 0.31 C ATOM 305 O VAL A 22 13.373 12.255 3.580 1.00 0.30 O ATOM 306 CB VAL A 22 13.753 10.806 0.471 1.00 0.30 C ATOM 307 CG1 VAL A 22 12.800 9.859 1.176 1.00 0.25 C ATOM 308 CG2 VAL A 22 13.011 11.592 -0.592 1.00 0.32 C ATOM 0 H VAL A 22 14.814 9.941 2.572 1.00 0.35 H new ATOM 0 HA VAL A 22 15.123 12.448 1.037 1.00 0.33 H new ATOM 0 HB VAL A 22 14.528 10.244 -0.051 1.00 0.30 H new ATOM 0 HG11 VAL A 22 12.288 9.242 0.438 1.00 0.25 H new ATOM 0 HG12 VAL A 22 13.361 9.219 1.858 1.00 0.25 H new ATOM 0 HG13 VAL A 22 12.066 10.435 1.740 1.00 0.25 H new ATOM 0 HG21 VAL A 22 12.522 10.902 -1.280 1.00 0.32 H new ATOM 0 HG22 VAL A 22 12.261 12.226 -0.119 1.00 0.32 H new ATOM 0 HG23 VAL A 22 13.716 12.214 -1.143 1.00 0.32 H new ATOM 318 N SER A 23 12.782 13.400 1.717 1.00 0.32 N ATOM 319 CA SER A 23 11.592 14.048 2.270 1.00 0.28 C ATOM 320 C SER A 23 10.634 12.924 2.670 1.00 0.18 C ATOM 321 O SER A 23 10.862 11.807 2.221 1.00 0.16 O ATOM 322 CB SER A 23 10.984 14.982 1.211 1.00 0.35 C ATOM 323 OG SER A 23 10.317 16.088 1.801 1.00 1.31 O ATOM 0 H SER A 23 13.025 13.725 0.781 1.00 0.32 H new ATOM 0 HA SER A 23 11.817 14.664 3.141 1.00 0.28 H new ATOM 0 HB2 SER A 23 11.772 15.344 0.550 1.00 0.35 H new ATOM 0 HB3 SER A 23 10.282 14.422 0.593 1.00 0.35 H new ATOM 0 HG SER A 23 9.945 16.659 1.097 1.00 1.31 H new ATOM 329 N PRO A 24 9.536 13.146 3.440 1.00 0.16 N ATOM 330 CA PRO A 24 8.964 12.086 4.299 1.00 0.16 C ATOM 331 C PRO A 24 8.934 10.752 3.575 1.00 0.15 C ATOM 332 O PRO A 24 8.411 10.658 2.462 1.00 0.22 O ATOM 333 CB PRO A 24 7.537 12.589 4.550 1.00 0.21 C ATOM 334 CG PRO A 24 7.323 13.640 3.523 1.00 0.19 C ATOM 335 CD PRO A 24 8.654 14.317 3.423 1.00 0.17 C ATOM 0 HA PRO A 24 9.538 11.917 5.210 1.00 0.16 H new ATOM 0 HB2 PRO A 24 6.810 11.783 4.450 1.00 0.21 H new ATOM 0 HB3 PRO A 24 7.430 12.992 5.557 1.00 0.21 H new ATOM 0 HG2 PRO A 24 7.020 13.211 2.568 1.00 0.19 H new ATOM 0 HG3 PRO A 24 6.541 14.338 3.822 1.00 0.19 H new ATOM 0 HD2 PRO A 24 8.756 14.903 2.509 1.00 0.17 H new ATOM 0 HD3 PRO A 24 8.842 14.993 4.257 1.00 0.17 H new ATOM 343 N ALA A 25 9.480 9.736 4.263 1.00 0.15 N ATOM 344 CA ALA A 25 10.030 8.532 3.630 1.00 0.14 C ATOM 345 C ALA A 25 9.320 8.126 2.363 1.00 0.14 C ATOM 346 O ALA A 25 8.090 8.064 2.300 1.00 0.18 O ATOM 347 CB ALA A 25 10.068 7.365 4.584 1.00 0.20 C ATOM 0 H ALA A 25 9.551 9.730 5.280 1.00 0.15 H new ATOM 0 HA ALA A 25 11.047 8.808 3.352 1.00 0.14 H new ATOM 0 HB1 ALA A 25 10.482 6.494 4.077 1.00 0.20 H new ATOM 0 HB2 ALA A 25 10.693 7.616 5.441 1.00 0.20 H new ATOM 0 HB3 ALA A 25 9.057 7.141 4.925 1.00 0.20 H new ATOM 353 N GLU A 26 10.115 7.787 1.377 1.00 0.14 N ATOM 354 CA GLU A 26 9.611 7.563 0.055 1.00 0.15 C ATOM 355 C GLU A 26 9.935 6.160 -0.426 1.00 0.11 C ATOM 356 O GLU A 26 11.038 5.650 -0.232 1.00 0.13 O ATOM 357 CB GLU A 26 10.136 8.613 -0.947 1.00 0.27 C ATOM 358 CG GLU A 26 9.306 9.885 -0.983 1.00 0.66 C ATOM 359 CD GLU A 26 9.846 10.912 -1.960 1.00 0.71 C ATOM 360 OE1 GLU A 26 10.239 10.524 -3.081 1.00 1.26 O ATOM 361 OE2 GLU A 26 9.880 12.113 -1.621 1.00 1.14 O ATOM 0 H GLU A 26 11.123 7.661 1.473 1.00 0.14 H new ATOM 0 HA GLU A 26 8.527 7.668 0.107 1.00 0.15 H new ATOM 0 HB2 GLU A 26 11.164 8.867 -0.690 1.00 0.27 H new ATOM 0 HB3 GLU A 26 10.156 8.174 -1.944 1.00 0.27 H new ATOM 0 HG2 GLU A 26 8.280 9.636 -1.254 1.00 0.66 H new ATOM 0 HG3 GLU A 26 9.275 10.321 0.015 1.00 0.66 H new ATOM 368 N LEU A 27 8.947 5.555 -1.041 1.00 0.10 N ATOM 369 CA LEU A 27 9.108 4.305 -1.745 1.00 0.09 C ATOM 370 C LEU A 27 9.186 4.652 -3.203 1.00 0.09 C ATOM 371 O LEU A 27 8.495 5.549 -3.658 1.00 0.13 O ATOM 372 CB LEU A 27 7.895 3.397 -1.483 1.00 0.11 C ATOM 373 CG LEU A 27 7.707 2.183 -2.418 1.00 0.10 C ATOM 374 CD1 LEU A 27 6.729 1.230 -1.792 1.00 0.15 C ATOM 375 CD2 LEU A 27 7.175 2.580 -3.799 1.00 0.11 C ATOM 0 H LEU A 27 7.996 5.922 -1.067 1.00 0.10 H new ATOM 0 HA LEU A 27 10.000 3.772 -1.415 1.00 0.09 H new ATOM 0 HB2 LEU A 27 7.964 3.028 -0.460 1.00 0.11 H new ATOM 0 HB3 LEU A 27 6.996 4.010 -1.540 1.00 0.11 H new ATOM 0 HG LEU A 27 8.686 1.724 -2.553 1.00 0.10 H new ATOM 0 HD11 LEU A 27 6.590 0.369 -2.446 1.00 0.15 H new ATOM 0 HD12 LEU A 27 7.113 0.895 -0.828 1.00 0.15 H new ATOM 0 HD13 LEU A 27 5.773 1.733 -1.647 1.00 0.15 H new ATOM 0 HD21 LEU A 27 7.062 1.688 -4.415 1.00 0.11 H new ATOM 0 HD22 LEU A 27 6.208 3.070 -3.689 1.00 0.11 H new ATOM 0 HD23 LEU A 27 7.877 3.264 -4.276 1.00 0.11 H new ATOM 387 N THR A 28 9.995 3.954 -3.941 1.00 0.08 N ATOM 388 CA THR A 28 10.112 4.241 -5.339 1.00 0.09 C ATOM 389 C THR A 28 10.028 2.965 -6.140 1.00 0.08 C ATOM 390 O THR A 28 10.913 2.111 -6.072 1.00 0.10 O ATOM 391 CB THR A 28 11.406 5.003 -5.656 1.00 0.14 C ATOM 392 OG1 THR A 28 11.504 6.162 -4.815 1.00 0.21 O ATOM 393 CG2 THR A 28 11.414 5.436 -7.106 1.00 0.14 C ATOM 0 H THR A 28 10.579 3.189 -3.603 1.00 0.08 H new ATOM 0 HA THR A 28 9.281 4.888 -5.620 1.00 0.09 H new ATOM 0 HB THR A 28 12.255 4.344 -5.473 1.00 0.14 H new ATOM 0 HG1 THR A 28 12.332 6.645 -5.019 1.00 0.21 H new ATOM 0 HG21 THR A 28 12.337 5.976 -7.319 1.00 0.14 H new ATOM 0 HG22 THR A 28 11.350 4.558 -7.748 1.00 0.14 H new ATOM 0 HG23 THR A 28 10.561 6.087 -7.296 1.00 0.14 H new ATOM 401 N TRP A 29 8.935 2.823 -6.861 1.00 0.08 N ATOM 402 CA TRP A 29 8.742 1.673 -7.711 1.00 0.08 C ATOM 403 C TRP A 29 9.381 1.943 -9.056 1.00 0.08 C ATOM 404 O TRP A 29 8.893 2.736 -9.850 1.00 0.12 O ATOM 405 CB TRP A 29 7.258 1.336 -7.874 1.00 0.11 C ATOM 406 CG TRP A 29 7.017 0.130 -8.735 1.00 0.11 C ATOM 407 CD1 TRP A 29 7.022 -1.180 -8.346 1.00 0.13 C ATOM 408 CD2 TRP A 29 6.740 0.129 -10.137 1.00 0.14 C ATOM 409 NE1 TRP A 29 6.770 -1.993 -9.425 1.00 0.14 N ATOM 410 CE2 TRP A 29 6.593 -1.212 -10.534 1.00 0.14 C ATOM 411 CE3 TRP A 29 6.601 1.134 -11.092 1.00 0.19 C ATOM 412 CZ2 TRP A 29 6.318 -1.570 -11.850 1.00 0.19 C ATOM 413 CZ3 TRP A 29 6.327 0.778 -12.393 1.00 0.24 C ATOM 414 CH2 TRP A 29 6.187 -0.564 -12.763 1.00 0.24 C ATOM 0 H TRP A 29 8.166 3.493 -6.873 1.00 0.08 H new ATOM 0 HA TRP A 29 9.216 0.808 -7.246 1.00 0.08 H new ATOM 0 HB2 TRP A 29 6.821 1.166 -6.890 1.00 0.11 H new ATOM 0 HB3 TRP A 29 6.743 2.193 -8.308 1.00 0.11 H new ATOM 0 HD1 TRP A 29 7.198 -1.526 -7.338 1.00 0.13 H new ATOM 0 HE1 TRP A 29 6.723 -3.012 -9.403 1.00 0.14 H new ATOM 0 HE3 TRP A 29 6.706 2.173 -10.817 1.00 0.19 H new ATOM 0 HZ2 TRP A 29 6.212 -2.605 -12.138 1.00 0.19 H new ATOM 0 HZ3 TRP A 29 6.218 1.549 -13.142 1.00 0.24 H new ATOM 0 HH2 TRP A 29 5.971 -0.809 -13.792 1.00 0.24 H new ATOM 425 N ARG A 30 10.490 1.294 -9.270 1.00 0.10 N ATOM 426 CA ARG A 30 11.262 1.441 -10.476 1.00 0.12 C ATOM 427 C ARG A 30 11.255 0.118 -11.223 1.00 0.13 C ATOM 428 O ARG A 30 11.785 -0.868 -10.728 1.00 0.15 O ATOM 429 CB ARG A 30 12.681 1.864 -10.097 1.00 0.15 C ATOM 430 CG ARG A 30 13.642 1.924 -11.261 1.00 0.21 C ATOM 431 CD ARG A 30 14.495 0.672 -11.326 1.00 0.32 C ATOM 432 NE ARG A 30 15.406 0.685 -12.469 1.00 0.33 N ATOM 433 CZ ARG A 30 16.071 -0.383 -12.907 1.00 0.47 C ATOM 434 NH1 ARG A 30 15.875 -1.571 -12.347 1.00 0.87 N ATOM 435 NH2 ARG A 30 16.928 -0.261 -13.911 1.00 0.51 N ATOM 0 H ARG A 30 10.892 0.636 -8.602 1.00 0.10 H new ATOM 0 HA ARG A 30 10.837 2.204 -11.128 1.00 0.12 H new ATOM 0 HB2 ARG A 30 12.641 2.845 -9.623 1.00 0.15 H new ATOM 0 HB3 ARG A 30 13.070 1.167 -9.355 1.00 0.15 H new ATOM 0 HG2 ARG A 30 13.085 2.038 -12.191 1.00 0.21 H new ATOM 0 HG3 ARG A 30 14.283 2.800 -11.163 1.00 0.21 H new ATOM 0 HD2 ARG A 30 15.071 0.578 -10.405 1.00 0.32 H new ATOM 0 HD3 ARG A 30 13.849 -0.203 -11.388 1.00 0.32 H new ATOM 0 HE ARG A 30 15.541 1.567 -12.962 1.00 0.33 H new ATOM 0 HH11 ARG A 30 15.213 -1.669 -11.578 1.00 0.87 H new ATOM 0 HH12 ARG A 30 16.387 -2.385 -12.686 1.00 0.87 H new ATOM 0 HH21 ARG A 30 17.077 0.649 -14.346 1.00 0.51 H new ATOM 0 HH22 ARG A 30 17.438 -1.077 -14.248 1.00 0.51 H new ATOM 449 N SER A 31 10.651 0.101 -12.403 1.00 0.16 N ATOM 450 CA SER A 31 10.417 -1.136 -13.125 1.00 0.18 C ATOM 451 C SER A 31 11.714 -1.892 -13.375 1.00 0.20 C ATOM 452 O SER A 31 12.796 -1.310 -13.436 1.00 0.24 O ATOM 453 CB SER A 31 9.690 -0.862 -14.445 1.00 0.28 C ATOM 454 OG SER A 31 10.484 -0.098 -15.338 1.00 0.75 O ATOM 0 H SER A 31 10.313 0.937 -12.881 1.00 0.16 H new ATOM 0 HA SER A 31 9.782 -1.766 -12.502 1.00 0.18 H new ATOM 0 HB2 SER A 31 9.423 -1.808 -14.916 1.00 0.28 H new ATOM 0 HB3 SER A 31 8.759 -0.332 -14.243 1.00 0.28 H new ATOM 0 HG SER A 31 11.166 0.391 -14.832 1.00 0.75 H new ATOM 460 N THR A 32 11.572 -3.200 -13.500 1.00 0.20 N ATOM 461 CA THR A 32 12.696 -4.107 -13.691 1.00 0.26 C ATOM 462 C THR A 32 13.483 -3.742 -14.952 1.00 0.30 C ATOM 463 O THR A 32 14.684 -3.991 -15.046 1.00 0.38 O ATOM 464 CB THR A 32 12.193 -5.559 -13.793 1.00 0.31 C ATOM 465 OG1 THR A 32 11.276 -5.819 -12.722 1.00 0.31 O ATOM 466 CG2 THR A 32 13.346 -6.549 -13.723 1.00 0.39 C ATOM 0 H THR A 32 10.667 -3.669 -13.472 1.00 0.20 H new ATOM 0 HA THR A 32 13.358 -4.014 -12.830 1.00 0.26 H new ATOM 0 HB THR A 32 11.695 -5.683 -14.755 1.00 0.31 H new ATOM 0 HG1 THR A 32 10.953 -6.742 -12.785 1.00 0.31 H new ATOM 0 HG21 THR A 32 12.958 -7.565 -13.798 1.00 0.39 H new ATOM 0 HG22 THR A 32 14.036 -6.363 -14.546 1.00 0.39 H new ATOM 0 HG23 THR A 32 13.871 -6.430 -12.775 1.00 0.39 H new ATOM 474 N ASP A 33 12.792 -3.155 -15.922 1.00 0.32 N ATOM 475 CA ASP A 33 13.436 -2.688 -17.144 1.00 0.39 C ATOM 476 C ASP A 33 14.053 -1.306 -16.931 1.00 0.37 C ATOM 477 O ASP A 33 15.059 -0.959 -17.547 1.00 0.44 O ATOM 478 CB ASP A 33 12.425 -2.645 -18.292 1.00 0.52 C ATOM 479 CG ASP A 33 13.051 -2.229 -19.607 1.00 1.60 C ATOM 480 OD1 ASP A 33 13.576 -3.108 -20.326 1.00 2.07 O ATOM 481 OD2 ASP A 33 13.005 -1.027 -19.934 1.00 2.33 O ATOM 0 H ASP A 33 11.786 -2.991 -15.886 1.00 0.32 H new ATOM 0 HA ASP A 33 14.232 -3.386 -17.403 1.00 0.39 H new ATOM 0 HB2 ASP A 33 11.969 -3.629 -18.406 1.00 0.52 H new ATOM 0 HB3 ASP A 33 11.624 -1.950 -18.040 1.00 0.52 H new ATOM 486 N GLY A 34 13.462 -0.538 -16.021 1.00 0.36 N ATOM 487 CA GLY A 34 13.988 0.774 -15.691 1.00 0.37 C ATOM 488 C GLY A 34 13.303 1.895 -16.445 1.00 0.42 C ATOM 489 O GLY A 34 13.823 3.009 -16.517 1.00 0.55 O ATOM 0 H GLY A 34 12.624 -0.803 -15.504 1.00 0.36 H new ATOM 0 HA2 GLY A 34 13.878 0.944 -14.620 1.00 0.37 H new ATOM 0 HA3 GLY A 34 15.056 0.796 -15.909 1.00 0.37 H new ATOM 493 N ASP A 35 12.128 1.614 -16.989 1.00 0.45 N ATOM 494 CA ASP A 35 11.419 2.585 -17.816 1.00 0.55 C ATOM 495 C ASP A 35 10.265 3.230 -17.056 1.00 0.46 C ATOM 496 O ASP A 35 9.864 4.355 -17.351 1.00 0.74 O ATOM 497 CB ASP A 35 10.896 1.908 -19.078 1.00 0.73 C ATOM 498 CG ASP A 35 10.192 2.870 -20.014 1.00 0.89 C ATOM 499 OD1 ASP A 35 10.885 3.585 -20.769 1.00 1.13 O ATOM 500 OD2 ASP A 35 8.944 2.907 -20.015 1.00 0.92 O ATOM 0 H ASP A 35 11.644 0.723 -16.874 1.00 0.45 H new ATOM 0 HA ASP A 35 12.123 3.372 -18.088 1.00 0.55 H new ATOM 0 HB2 ASP A 35 11.728 1.440 -19.604 1.00 0.73 H new ATOM 0 HB3 ASP A 35 10.207 1.111 -18.798 1.00 0.73 H new ATOM 505 N LYS A 36 9.744 2.525 -16.067 1.00 0.34 N ATOM 506 CA LYS A 36 8.581 2.991 -15.332 1.00 0.34 C ATOM 507 C LYS A 36 8.947 3.215 -13.866 1.00 0.27 C ATOM 508 O LYS A 36 9.420 2.299 -13.200 1.00 0.34 O ATOM 509 CB LYS A 36 7.462 1.954 -15.444 1.00 0.55 C ATOM 510 CG LYS A 36 6.070 2.541 -15.529 1.00 0.92 C ATOM 511 CD LYS A 36 5.035 1.435 -15.577 1.00 0.90 C ATOM 512 CE LYS A 36 3.659 1.957 -15.949 1.00 1.25 C ATOM 513 NZ LYS A 36 3.207 3.059 -15.057 1.00 2.03 N ATOM 0 H LYS A 36 10.109 1.625 -15.754 1.00 0.34 H new ATOM 0 HA LYS A 36 8.239 3.936 -15.754 1.00 0.34 H new ATOM 0 HB2 LYS A 36 7.639 1.341 -16.328 1.00 0.55 H new ATOM 0 HB3 LYS A 36 7.511 1.290 -14.581 1.00 0.55 H new ATOM 0 HG2 LYS A 36 5.886 3.184 -14.668 1.00 0.92 H new ATOM 0 HG3 LYS A 36 5.985 3.166 -16.418 1.00 0.92 H new ATOM 0 HD2 LYS A 36 5.344 0.681 -16.301 1.00 0.90 H new ATOM 0 HD3 LYS A 36 4.985 0.943 -14.606 1.00 0.90 H new ATOM 0 HE2 LYS A 36 3.675 2.312 -16.980 1.00 1.25 H new ATOM 0 HE3 LYS A 36 2.940 1.139 -15.904 1.00 1.25 H new ATOM 0 HZ1 LYS A 36 2.225 3.311 -15.287 1.00 2.03 H new ATOM 0 HZ2 LYS A 36 3.262 2.748 -14.066 1.00 2.03 H new ATOM 0 HZ3 LYS A 36 3.818 3.889 -15.194 1.00 2.03 H new ATOM 527 N VAL A 37 8.752 4.430 -13.375 1.00 0.22 N ATOM 528 CA VAL A 37 9.108 4.766 -11.998 1.00 0.21 C ATOM 529 C VAL A 37 7.961 5.500 -11.308 1.00 0.22 C ATOM 530 O VAL A 37 7.498 6.539 -11.784 1.00 0.32 O ATOM 531 CB VAL A 37 10.383 5.641 -11.939 1.00 0.22 C ATOM 532 CG1 VAL A 37 10.727 6.003 -10.502 1.00 0.54 C ATOM 533 CG2 VAL A 37 11.559 4.936 -12.600 1.00 0.55 C ATOM 0 H VAL A 37 8.350 5.202 -13.907 1.00 0.22 H new ATOM 0 HA VAL A 37 9.305 3.828 -11.479 1.00 0.21 H new ATOM 0 HB VAL A 37 10.180 6.560 -12.488 1.00 0.22 H new ATOM 0 HG11 VAL A 37 11.627 6.618 -10.487 1.00 0.54 H new ATOM 0 HG12 VAL A 37 9.900 6.558 -10.059 1.00 0.54 H new ATOM 0 HG13 VAL A 37 10.901 5.092 -9.929 1.00 0.54 H new ATOM 0 HG21 VAL A 37 12.442 5.572 -12.545 1.00 0.55 H new ATOM 0 HG22 VAL A 37 11.756 3.996 -12.085 1.00 0.55 H new ATOM 0 HG23 VAL A 37 11.322 4.734 -13.645 1.00 0.55 H new ATOM 543 N HIS A 38 7.502 4.951 -10.193 1.00 0.17 N ATOM 544 CA HIS A 38 6.418 5.542 -9.433 1.00 0.19 C ATOM 545 C HIS A 38 6.788 5.622 -7.955 1.00 0.17 C ATOM 546 O HIS A 38 7.044 4.603 -7.321 1.00 0.17 O ATOM 547 CB HIS A 38 5.170 4.694 -9.590 1.00 0.25 C ATOM 548 CG HIS A 38 3.895 5.450 -9.375 1.00 0.41 C ATOM 549 ND1 HIS A 38 2.971 5.655 -10.376 1.00 0.52 N ATOM 550 CD2 HIS A 38 3.392 6.060 -8.275 1.00 0.56 C ATOM 551 CE1 HIS A 38 1.960 6.356 -9.904 1.00 0.67 C ATOM 552 NE2 HIS A 38 2.186 6.619 -8.629 1.00 0.69 N ATOM 0 H HIS A 38 7.870 4.088 -9.794 1.00 0.17 H new ATOM 0 HA HIS A 38 6.234 6.549 -9.808 1.00 0.19 H new ATOM 0 HB2 HIS A 38 5.160 4.260 -10.590 1.00 0.25 H new ATOM 0 HB3 HIS A 38 5.214 3.865 -8.883 1.00 0.25 H new ATOM 0 HD2 HIS A 38 3.853 6.100 -7.299 1.00 0.56 H new ATOM 0 HE1 HIS A 38 1.091 6.664 -10.466 1.00 0.67 H new ATOM 0 HE2 HIS A 38 1.570 7.148 -8.011 1.00 0.69 H new ATOM 561 N THR A 39 6.792 6.817 -7.401 1.00 0.18 N ATOM 562 CA THR A 39 7.214 7.005 -6.024 1.00 0.17 C ATOM 563 C THR A 39 6.010 7.175 -5.076 1.00 0.19 C ATOM 564 O THR A 39 4.998 7.772 -5.448 1.00 0.30 O ATOM 565 CB THR A 39 8.134 8.233 -5.913 1.00 0.22 C ATOM 566 OG1 THR A 39 9.220 8.112 -6.842 1.00 0.23 O ATOM 567 CG2 THR A 39 8.683 8.373 -4.506 1.00 0.23 C ATOM 0 H THR A 39 6.509 7.672 -7.880 1.00 0.18 H new ATOM 0 HA THR A 39 7.758 6.110 -5.724 1.00 0.17 H new ATOM 0 HB THR A 39 7.548 9.122 -6.147 1.00 0.22 H new ATOM 0 HG1 THR A 39 9.802 8.897 -6.769 1.00 0.23 H new ATOM 0 HG21 THR A 39 9.330 9.248 -4.453 1.00 0.23 H new ATOM 0 HG22 THR A 39 7.858 8.489 -3.803 1.00 0.23 H new ATOM 0 HG23 THR A 39 9.256 7.482 -4.249 1.00 0.23 H new ATOM 575 N VAL A 40 6.122 6.631 -3.863 1.00 0.13 N ATOM 576 CA VAL A 40 5.094 6.771 -2.834 1.00 0.18 C ATOM 577 C VAL A 40 5.625 7.537 -1.615 1.00 0.11 C ATOM 578 O VAL A 40 6.682 7.196 -1.084 1.00 0.11 O ATOM 579 CB VAL A 40 4.612 5.381 -2.366 1.00 0.30 C ATOM 580 CG1 VAL A 40 3.813 5.486 -1.083 1.00 0.47 C ATOM 581 CG2 VAL A 40 3.786 4.701 -3.436 1.00 0.66 C ATOM 0 H VAL A 40 6.929 6.081 -3.568 1.00 0.13 H new ATOM 0 HA VAL A 40 4.267 7.328 -3.275 1.00 0.18 H new ATOM 0 HB VAL A 40 5.498 4.775 -2.176 1.00 0.30 H new ATOM 0 HG11 VAL A 40 3.486 4.493 -0.776 1.00 0.47 H new ATOM 0 HG12 VAL A 40 4.436 5.921 -0.301 1.00 0.47 H new ATOM 0 HG13 VAL A 40 2.942 6.120 -1.248 1.00 0.47 H new ATOM 0 HG21 VAL A 40 3.460 3.724 -3.078 1.00 0.66 H new ATOM 0 HG22 VAL A 40 2.914 5.313 -3.666 1.00 0.66 H new ATOM 0 HG23 VAL A 40 4.388 4.576 -4.336 1.00 0.66 H new ATOM 591 N VAL A 41 4.893 8.564 -1.171 1.00 0.10 N ATOM 592 CA VAL A 41 5.227 9.257 0.065 1.00 0.10 C ATOM 593 C VAL A 41 4.490 8.607 1.224 1.00 0.08 C ATOM 594 O VAL A 41 3.277 8.737 1.367 1.00 0.09 O ATOM 595 CB VAL A 41 4.897 10.767 0.013 1.00 0.13 C ATOM 596 CG1 VAL A 41 5.314 11.459 1.312 1.00 0.14 C ATOM 597 CG2 VAL A 41 5.573 11.419 -1.184 1.00 0.18 C ATOM 0 H VAL A 41 4.070 8.928 -1.651 1.00 0.10 H new ATOM 0 HA VAL A 41 6.305 9.173 0.204 1.00 0.10 H new ATOM 0 HB VAL A 41 3.818 10.878 -0.098 1.00 0.13 H new ATOM 0 HG11 VAL A 41 5.072 12.520 1.253 1.00 0.14 H new ATOM 0 HG12 VAL A 41 4.780 11.012 2.150 1.00 0.14 H new ATOM 0 HG13 VAL A 41 6.387 11.339 1.460 1.00 0.14 H new ATOM 0 HG21 VAL A 41 5.330 12.481 -1.205 1.00 0.18 H new ATOM 0 HG22 VAL A 41 6.653 11.295 -1.104 1.00 0.18 H new ATOM 0 HG23 VAL A 41 5.221 10.948 -2.102 1.00 0.18 H new ATOM 607 N LEU A 42 5.251 7.908 2.034 1.00 0.08 N ATOM 608 CA LEU A 42 4.749 7.169 3.189 1.00 0.09 C ATOM 609 C LEU A 42 3.911 8.038 4.121 1.00 0.10 C ATOM 610 O LEU A 42 2.968 7.555 4.737 1.00 0.12 O ATOM 611 CB LEU A 42 5.919 6.570 3.970 1.00 0.10 C ATOM 612 CG LEU A 42 6.512 5.274 3.410 1.00 0.10 C ATOM 613 CD1 LEU A 42 5.607 4.118 3.768 1.00 0.12 C ATOM 614 CD2 LEU A 42 6.710 5.330 1.900 1.00 0.10 C ATOM 0 H LEU A 42 6.261 7.830 1.913 1.00 0.08 H new ATOM 0 HA LEU A 42 4.103 6.379 2.807 1.00 0.09 H new ATOM 0 HB2 LEU A 42 6.713 7.315 4.023 1.00 0.10 H new ATOM 0 HB3 LEU A 42 5.589 6.382 4.992 1.00 0.10 H new ATOM 0 HG LEU A 42 7.497 5.138 3.857 1.00 0.10 H new ATOM 0 HD11 LEU A 42 6.025 3.193 3.372 1.00 0.12 H new ATOM 0 HD12 LEU A 42 5.524 4.043 4.852 1.00 0.12 H new ATOM 0 HD13 LEU A 42 4.619 4.283 3.339 1.00 0.12 H new ATOM 0 HD21 LEU A 42 7.133 4.387 1.553 1.00 0.10 H new ATOM 0 HD22 LEU A 42 5.749 5.498 1.413 1.00 0.10 H new ATOM 0 HD23 LEU A 42 7.390 6.145 1.652 1.00 0.10 H new ATOM 626 N SER A 43 4.249 9.312 4.219 1.00 0.12 N ATOM 627 CA SER A 43 3.531 10.211 5.114 1.00 0.15 C ATOM 628 C SER A 43 2.176 10.605 4.539 1.00 0.14 C ATOM 629 O SER A 43 1.241 10.903 5.281 1.00 0.17 O ATOM 630 CB SER A 43 4.362 11.446 5.396 1.00 0.20 C ATOM 631 OG SER A 43 5.583 11.086 6.003 1.00 1.06 O ATOM 0 H SER A 43 5.009 9.747 3.696 1.00 0.12 H new ATOM 0 HA SER A 43 3.355 9.680 6.049 1.00 0.15 H new ATOM 0 HB2 SER A 43 4.554 11.983 4.467 1.00 0.20 H new ATOM 0 HB3 SER A 43 3.810 12.123 6.048 1.00 0.20 H new ATOM 0 HG SER A 43 5.559 11.326 6.953 1.00 1.06 H new ATOM 637 N THR A 44 2.074 10.617 3.216 1.00 0.13 N ATOM 638 CA THR A 44 0.794 10.857 2.569 1.00 0.14 C ATOM 639 C THR A 44 -0.029 9.575 2.560 1.00 0.13 C ATOM 640 O THR A 44 -1.209 9.581 2.231 1.00 0.18 O ATOM 641 CB THR A 44 0.958 11.388 1.130 1.00 0.16 C ATOM 642 OG1 THR A 44 1.627 10.423 0.308 1.00 0.17 O ATOM 643 CG2 THR A 44 1.748 12.686 1.128 1.00 0.20 C ATOM 0 H THR A 44 2.854 10.465 2.577 1.00 0.13 H new ATOM 0 HA THR A 44 0.276 11.626 3.142 1.00 0.14 H new ATOM 0 HB THR A 44 -0.037 11.573 0.725 1.00 0.16 H new ATOM 0 HG1 THR A 44 1.977 9.700 0.870 1.00 0.17 H new ATOM 0 HG21 THR A 44 1.854 13.046 0.105 1.00 0.20 H new ATOM 0 HG22 THR A 44 1.222 13.433 1.723 1.00 0.20 H new ATOM 0 HG23 THR A 44 2.736 12.512 1.555 1.00 0.20 H new ATOM 651 N ILE A 45 0.623 8.477 2.910 1.00 0.11 N ATOM 652 CA ILE A 45 -0.028 7.192 3.073 1.00 0.12 C ATOM 653 C ILE A 45 -0.681 7.082 4.457 1.00 0.16 C ATOM 654 O ILE A 45 -0.064 7.377 5.478 1.00 0.23 O ATOM 655 CB ILE A 45 0.991 6.046 2.899 1.00 0.12 C ATOM 656 CG1 ILE A 45 1.670 6.106 1.521 1.00 0.10 C ATOM 657 CG2 ILE A 45 0.315 4.705 3.095 1.00 0.16 C ATOM 658 CD1 ILE A 45 0.736 5.842 0.348 1.00 0.10 C ATOM 0 H ILE A 45 1.627 8.455 3.090 1.00 0.11 H new ATOM 0 HA ILE A 45 -0.800 7.110 2.308 1.00 0.12 H new ATOM 0 HB ILE A 45 1.763 6.167 3.659 1.00 0.12 H new ATOM 0 HG12 ILE A 45 2.123 7.089 1.395 1.00 0.10 H new ATOM 0 HG13 ILE A 45 2.480 5.377 1.496 1.00 0.10 H new ATOM 0 HG21 ILE A 45 1.047 3.907 2.969 1.00 0.16 H new ATOM 0 HG22 ILE A 45 -0.108 4.654 4.098 1.00 0.16 H new ATOM 0 HG23 ILE A 45 -0.480 4.587 2.359 1.00 0.16 H new ATOM 0 HD11 ILE A 45 1.297 5.904 -0.585 1.00 0.10 H new ATOM 0 HD12 ILE A 45 0.302 4.847 0.445 1.00 0.10 H new ATOM 0 HD13 ILE A 45 -0.060 6.586 0.342 1.00 0.10 H new ATOM 670 N ASP A 46 -1.946 6.681 4.466 1.00 0.16 N ATOM 671 CA ASP A 46 -2.698 6.449 5.700 1.00 0.22 C ATOM 672 C ASP A 46 -2.486 5.035 6.224 1.00 0.22 C ATOM 673 O ASP A 46 -2.329 4.819 7.429 1.00 0.28 O ATOM 674 CB ASP A 46 -4.191 6.676 5.442 1.00 0.28 C ATOM 675 CG ASP A 46 -5.088 6.052 6.495 1.00 0.46 C ATOM 676 OD1 ASP A 46 -5.081 6.535 7.646 1.00 0.70 O ATOM 677 OD2 ASP A 46 -5.815 5.091 6.176 1.00 0.61 O ATOM 0 H ASP A 46 -2.484 6.506 3.617 1.00 0.16 H new ATOM 0 HA ASP A 46 -2.336 7.150 6.452 1.00 0.22 H new ATOM 0 HB2 ASP A 46 -4.386 7.748 5.399 1.00 0.28 H new ATOM 0 HB3 ASP A 46 -4.450 6.266 4.466 1.00 0.28 H new ATOM 682 N LYS A 47 -2.483 4.079 5.313 1.00 0.21 N ATOM 683 CA LYS A 47 -2.416 2.674 5.676 1.00 0.27 C ATOM 684 C LYS A 47 -1.514 1.930 4.708 1.00 0.18 C ATOM 685 O LYS A 47 -1.556 2.180 3.512 1.00 0.20 O ATOM 686 CB LYS A 47 -3.814 2.051 5.599 1.00 0.41 C ATOM 687 CG LYS A 47 -4.214 1.223 6.809 1.00 1.07 C ATOM 688 CD LYS A 47 -4.545 2.098 8.003 1.00 1.01 C ATOM 689 CE LYS A 47 -5.393 1.346 9.018 1.00 1.60 C ATOM 690 NZ LYS A 47 -5.835 2.212 10.142 1.00 1.95 N ATOM 0 H LYS A 47 -2.527 4.251 4.309 1.00 0.21 H new ATOM 0 HA LYS A 47 -2.022 2.598 6.690 1.00 0.27 H new ATOM 0 HB2 LYS A 47 -4.544 2.849 5.466 1.00 0.41 H new ATOM 0 HB3 LYS A 47 -3.866 1.420 4.712 1.00 0.41 H new ATOM 0 HG2 LYS A 47 -5.078 0.607 6.559 1.00 1.07 H new ATOM 0 HG3 LYS A 47 -3.402 0.544 7.070 1.00 1.07 H new ATOM 0 HD2 LYS A 47 -3.623 2.437 8.475 1.00 1.01 H new ATOM 0 HD3 LYS A 47 -5.078 2.988 7.668 1.00 1.01 H new ATOM 0 HE2 LYS A 47 -6.268 0.929 8.519 1.00 1.60 H new ATOM 0 HE3 LYS A 47 -4.822 0.506 9.413 1.00 1.60 H new ATOM 0 HZ1 LYS A 47 -6.409 1.654 10.806 1.00 1.95 H new ATOM 0 HZ2 LYS A 47 -5.002 2.590 10.637 1.00 1.95 H new ATOM 0 HZ3 LYS A 47 -6.404 3.000 9.771 1.00 1.95 H new ATOM 704 N LEU A 48 -0.692 1.037 5.205 1.00 0.14 N ATOM 705 CA LEU A 48 -0.054 0.074 4.336 1.00 0.10 C ATOM 706 C LEU A 48 -0.648 -1.294 4.594 1.00 0.11 C ATOM 707 O LEU A 48 -0.941 -1.663 5.730 1.00 0.14 O ATOM 708 CB LEU A 48 1.455 0.020 4.523 1.00 0.10 C ATOM 709 CG LEU A 48 2.098 -1.250 3.983 1.00 0.11 C ATOM 710 CD1 LEU A 48 2.068 -1.278 2.474 1.00 0.12 C ATOM 711 CD2 LEU A 48 3.516 -1.362 4.453 1.00 0.13 C ATOM 0 H LEU A 48 -0.451 0.956 6.193 1.00 0.14 H new ATOM 0 HA LEU A 48 -0.236 0.388 3.308 1.00 0.10 H new ATOM 0 HB2 LEU A 48 1.904 0.881 4.028 1.00 0.10 H new ATOM 0 HB3 LEU A 48 1.683 0.108 5.585 1.00 0.10 H new ATOM 0 HG LEU A 48 1.523 -2.095 4.361 1.00 0.11 H new ATOM 0 HD11 LEU A 48 2.534 -2.197 2.118 1.00 0.12 H new ATOM 0 HD12 LEU A 48 1.035 -1.238 2.130 1.00 0.12 H new ATOM 0 HD13 LEU A 48 2.614 -0.419 2.083 1.00 0.12 H new ATOM 0 HD21 LEU A 48 3.959 -2.276 4.057 1.00 0.13 H new ATOM 0 HD22 LEU A 48 4.085 -0.501 4.102 1.00 0.13 H new ATOM 0 HD23 LEU A 48 3.537 -1.391 5.542 1.00 0.13 H new ATOM 723 N GLN A 49 -0.811 -2.029 3.530 1.00 0.10 N ATOM 724 CA GLN A 49 -1.390 -3.354 3.581 1.00 0.11 C ATOM 725 C GLN A 49 -0.388 -4.376 3.077 1.00 0.10 C ATOM 726 O GLN A 49 0.497 -4.049 2.291 1.00 0.12 O ATOM 727 CB GLN A 49 -2.638 -3.434 2.718 1.00 0.15 C ATOM 728 CG GLN A 49 -3.614 -2.283 2.899 1.00 0.27 C ATOM 729 CD GLN A 49 -5.007 -2.613 2.385 1.00 0.86 C ATOM 730 OE1 GLN A 49 -5.720 -1.748 1.887 1.00 1.49 O ATOM 731 NE2 GLN A 49 -5.424 -3.858 2.535 1.00 1.03 N ATOM 0 H GLN A 49 -0.545 -1.728 2.592 1.00 0.10 H new ATOM 0 HA GLN A 49 -1.655 -3.564 4.617 1.00 0.11 H new ATOM 0 HB2 GLN A 49 -2.337 -3.475 1.671 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -3.155 -4.368 2.938 1.00 0.15 H new ATOM 0 HG2 GLN A 49 -3.672 -2.024 3.956 1.00 0.27 H new ATOM 0 HG3 GLN A 49 -3.236 -1.405 2.376 1.00 0.27 H new ATOM 0 HE21 GLN A 49 -4.808 -4.555 2.953 1.00 1.03 H new ATOM 0 HE22 GLN A 49 -6.362 -4.122 2.233 1.00 1.03 H new ATOM 740 N ALA A 50 -0.535 -5.603 3.534 1.00 0.11 N ATOM 741 CA ALA A 50 0.313 -6.698 3.090 1.00 0.13 C ATOM 742 C ALA A 50 -0.329 -8.036 3.448 1.00 0.18 C ATOM 743 O ALA A 50 -0.936 -8.163 4.508 1.00 0.25 O ATOM 744 CB ALA A 50 1.691 -6.584 3.719 1.00 0.16 C ATOM 0 H ALA A 50 -1.241 -5.872 4.220 1.00 0.11 H new ATOM 0 HA ALA A 50 0.423 -6.643 2.007 1.00 0.13 H new ATOM 0 HB1 ALA A 50 2.316 -7.410 3.378 1.00 0.16 H new ATOM 0 HB2 ALA A 50 2.148 -5.639 3.426 1.00 0.16 H new ATOM 0 HB3 ALA A 50 1.600 -6.622 4.805 1.00 0.16 H new ATOM 750 N THR A 51 -0.208 -9.014 2.556 1.00 0.17 N ATOM 751 CA THR A 51 -0.755 -10.357 2.777 1.00 0.22 C ATOM 752 C THR A 51 -0.316 -10.923 4.126 1.00 0.33 C ATOM 753 O THR A 51 0.871 -10.933 4.466 1.00 0.37 O ATOM 754 CB THR A 51 -0.302 -11.322 1.667 1.00 0.21 C ATOM 755 OG1 THR A 51 1.118 -11.298 1.548 1.00 0.25 O ATOM 756 CG2 THR A 51 -0.920 -10.969 0.327 1.00 0.20 C ATOM 0 H THR A 51 0.269 -8.903 1.661 1.00 0.17 H new ATOM 0 HA THR A 51 -1.841 -10.264 2.764 1.00 0.22 H new ATOM 0 HB THR A 51 -0.638 -12.321 1.947 1.00 0.21 H new ATOM 0 HG1 THR A 51 1.438 -10.376 1.634 1.00 0.25 H new ATOM 0 HG21 THR A 51 -0.575 -11.674 -0.430 1.00 0.20 H new ATOM 0 HG22 THR A 51 -2.006 -11.020 0.402 1.00 0.20 H new ATOM 0 HG23 THR A 51 -0.623 -9.959 0.044 1.00 0.20 H new ATOM 764 N PRO A 52 -1.296 -11.375 4.910 1.00 0.41 N ATOM 765 CA PRO A 52 -1.079 -12.012 6.214 1.00 0.54 C ATOM 766 C PRO A 52 -0.375 -13.357 6.085 1.00 0.61 C ATOM 767 O PRO A 52 -0.260 -13.905 4.991 1.00 0.58 O ATOM 768 CB PRO A 52 -2.501 -12.212 6.745 1.00 0.64 C ATOM 769 CG PRO A 52 -3.345 -12.255 5.532 1.00 0.60 C ATOM 770 CD PRO A 52 -2.725 -11.294 4.577 1.00 0.45 C ATOM 0 HA PRO A 52 -0.442 -11.412 6.863 1.00 0.54 H new ATOM 0 HB2 PRO A 52 -2.584 -13.134 7.320 1.00 0.64 H new ATOM 0 HB3 PRO A 52 -2.796 -11.397 7.406 1.00 0.64 H new ATOM 0 HG2 PRO A 52 -3.376 -13.260 5.112 1.00 0.60 H new ATOM 0 HG3 PRO A 52 -4.373 -11.973 5.760 1.00 0.60 H new ATOM 0 HD2 PRO A 52 -2.915 -11.575 3.541 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -3.114 -10.285 4.710 1.00 0.45 H new ATOM 778 N ALA A 53 0.110 -13.878 7.203 1.00 0.73 N ATOM 779 CA ALA A 53 0.738 -15.194 7.223 1.00 0.86 C ATOM 780 C ALA A 53 -0.298 -16.287 6.967 1.00 0.91 C ATOM 781 O ALA A 53 0.044 -17.448 6.753 1.00 1.00 O ATOM 782 CB ALA A 53 1.450 -15.423 8.550 1.00 1.02 C ATOM 0 H ALA A 53 0.081 -13.410 8.109 1.00 0.73 H new ATOM 0 HA ALA A 53 1.480 -15.236 6.425 1.00 0.86 H new ATOM 0 HB1 ALA A 53 1.913 -16.410 8.549 1.00 1.02 H new ATOM 0 HB2 ALA A 53 2.218 -14.662 8.687 1.00 1.02 H new ATOM 0 HB3 ALA A 53 0.729 -15.362 9.365 1.00 1.02 H new ATOM 788 N SER A 54 -1.570 -15.905 7.008 1.00 0.89 N ATOM 789 CA SER A 54 -2.659 -16.802 6.655 1.00 0.98 C ATOM 790 C SER A 54 -2.872 -16.785 5.144 1.00 0.88 C ATOM 791 O SER A 54 -3.394 -17.736 4.564 1.00 0.97 O ATOM 792 CB SER A 54 -3.940 -16.374 7.368 1.00 1.07 C ATOM 793 OG SER A 54 -4.973 -17.337 7.217 1.00 1.58 O ATOM 0 H SER A 54 -1.872 -14.971 7.285 1.00 0.89 H new ATOM 0 HA SER A 54 -2.403 -17.814 6.968 1.00 0.98 H new ATOM 0 HB2 SER A 54 -3.734 -16.225 8.428 1.00 1.07 H new ATOM 0 HB3 SER A 54 -4.275 -15.416 6.970 1.00 1.07 H new ATOM 0 HG SER A 54 -5.777 -17.031 7.687 1.00 1.58 H new ATOM 799 N SER A 55 -2.467 -15.688 4.520 1.00 0.71 N ATOM 800 CA SER A 55 -2.535 -15.555 3.074 1.00 0.61 C ATOM 801 C SER A 55 -1.478 -16.453 2.441 1.00 0.63 C ATOM 802 O SER A 55 -0.402 -16.648 3.012 1.00 0.71 O ATOM 803 CB SER A 55 -2.287 -14.095 2.657 1.00 0.55 C ATOM 804 OG SER A 55 -2.533 -13.903 1.277 1.00 0.54 O ATOM 0 H SER A 55 -2.085 -14.872 4.998 1.00 0.71 H new ATOM 0 HA SER A 55 -3.528 -15.851 2.734 1.00 0.61 H new ATOM 0 HB2 SER A 55 -2.931 -13.435 3.238 1.00 0.55 H new ATOM 0 HB3 SER A 55 -1.258 -13.819 2.886 1.00 0.55 H new ATOM 0 HG SER A 55 -2.684 -12.951 1.101 1.00 0.54 H new ATOM 810 N GLU A 56 -1.779 -17.007 1.274 1.00 0.61 N ATOM 811 CA GLU A 56 -0.825 -17.847 0.573 1.00 0.69 C ATOM 812 C GLU A 56 -0.092 -16.992 -0.431 1.00 0.60 C ATOM 813 O GLU A 56 0.944 -17.367 -0.978 1.00 0.70 O ATOM 814 CB GLU A 56 -1.523 -18.993 -0.140 1.00 0.80 C ATOM 815 CG GLU A 56 -2.517 -19.733 0.729 1.00 1.19 C ATOM 816 CD GLU A 56 -3.881 -19.073 0.754 1.00 2.20 C ATOM 817 OE1 GLU A 56 -4.260 -18.452 -0.261 1.00 2.89 O ATOM 818 OE2 GLU A 56 -4.576 -19.170 1.783 1.00 2.66 O ATOM 0 H GLU A 56 -2.673 -16.889 0.797 1.00 0.61 H new ATOM 0 HA GLU A 56 -0.129 -18.279 1.292 1.00 0.69 H new ATOM 0 HB2 GLU A 56 -2.040 -18.603 -1.017 1.00 0.80 H new ATOM 0 HB3 GLU A 56 -0.772 -19.697 -0.499 1.00 0.80 H new ATOM 0 HG2 GLU A 56 -2.620 -20.755 0.366 1.00 1.19 H new ATOM 0 HG3 GLU A 56 -2.129 -19.794 1.746 1.00 1.19 H new ATOM 825 N LYS A 57 -0.666 -15.827 -0.655 1.00 0.46 N ATOM 826 CA LYS A 57 -0.168 -14.882 -1.617 1.00 0.39 C ATOM 827 C LYS A 57 0.868 -13.969 -0.974 1.00 0.32 C ATOM 828 O LYS A 57 1.124 -14.063 0.227 1.00 0.39 O ATOM 829 CB LYS A 57 -1.326 -14.056 -2.166 1.00 0.41 C ATOM 830 CG LYS A 57 -2.325 -14.844 -2.994 1.00 0.56 C ATOM 831 CD LYS A 57 -3.101 -15.863 -2.189 1.00 0.89 C ATOM 832 CE LYS A 57 -3.910 -15.227 -1.076 1.00 1.84 C ATOM 833 NZ LYS A 57 -4.911 -14.247 -1.575 1.00 2.59 N ATOM 0 H LYS A 57 -1.503 -15.512 -0.164 1.00 0.46 H new ATOM 0 HA LYS A 57 0.308 -15.423 -2.435 1.00 0.39 H new ATOM 0 HB2 LYS A 57 -1.851 -13.591 -1.332 1.00 0.41 H new ATOM 0 HB3 LYS A 57 -0.922 -13.249 -2.778 1.00 0.41 H new ATOM 0 HG2 LYS A 57 -3.025 -14.151 -3.461 1.00 0.56 H new ATOM 0 HG3 LYS A 57 -1.796 -15.354 -3.799 1.00 0.56 H new ATOM 0 HD2 LYS A 57 -3.769 -16.413 -2.852 1.00 0.89 H new ATOM 0 HD3 LYS A 57 -2.408 -16.588 -1.762 1.00 0.89 H new ATOM 0 HE2 LYS A 57 -4.422 -16.008 -0.514 1.00 1.84 H new ATOM 0 HE3 LYS A 57 -3.234 -14.727 -0.382 1.00 1.84 H new ATOM 0 HZ1 LYS A 57 -5.513 -13.933 -0.787 1.00 2.59 H new ATOM 0 HZ2 LYS A 57 -4.420 -13.426 -1.983 1.00 2.59 H new ATOM 0 HZ3 LYS A 57 -5.502 -14.695 -2.304 1.00 2.59 H new ATOM 847 N MET A 58 1.467 -13.103 -1.773 1.00 0.27 N ATOM 848 CA MET A 58 2.377 -12.092 -1.259 1.00 0.25 C ATOM 849 C MET A 58 2.120 -10.772 -1.968 1.00 0.23 C ATOM 850 O MET A 58 2.459 -10.616 -3.135 1.00 0.29 O ATOM 851 CB MET A 58 3.851 -12.475 -1.477 1.00 0.29 C ATOM 852 CG MET A 58 4.110 -13.876 -2.042 1.00 0.42 C ATOM 853 SD MET A 58 3.384 -14.162 -3.671 1.00 1.78 S ATOM 854 CE MET A 58 3.856 -15.864 -3.952 1.00 1.53 C ATOM 0 H MET A 58 1.339 -13.079 -2.785 1.00 0.27 H new ATOM 0 HA MET A 58 2.195 -12.007 -0.188 1.00 0.25 H new ATOM 0 HB2 MET A 58 4.298 -11.745 -2.152 1.00 0.29 H new ATOM 0 HB3 MET A 58 4.372 -12.388 -0.524 1.00 0.29 H new ATOM 0 HG2 MET A 58 5.186 -14.038 -2.102 1.00 0.42 H new ATOM 0 HG3 MET A 58 3.715 -14.615 -1.345 1.00 0.42 H new ATOM 0 HE1 MET A 58 3.542 -16.168 -4.950 1.00 1.53 H new ATOM 0 HE2 MET A 58 4.938 -15.960 -3.867 1.00 1.53 H new ATOM 0 HE3 MET A 58 3.375 -16.502 -3.210 1.00 1.53 H new ATOM 864 N MET A 59 1.560 -9.810 -1.259 1.00 0.20 N ATOM 865 CA MET A 59 1.213 -8.529 -1.864 1.00 0.21 C ATOM 866 C MET A 59 1.180 -7.413 -0.826 1.00 0.18 C ATOM 867 O MET A 59 0.736 -7.616 0.301 1.00 0.26 O ATOM 868 CB MET A 59 -0.150 -8.592 -2.580 1.00 0.27 C ATOM 869 CG MET A 59 -0.143 -9.302 -3.929 1.00 0.64 C ATOM 870 SD MET A 59 -0.631 -11.038 -3.837 1.00 1.30 S ATOM 871 CE MET A 59 -2.338 -10.883 -3.327 1.00 0.62 C ATOM 0 H MET A 59 1.335 -9.886 -0.267 1.00 0.20 H new ATOM 0 HA MET A 59 1.990 -8.312 -2.597 1.00 0.21 H new ATOM 0 HB2 MET A 59 -0.863 -9.095 -1.926 1.00 0.27 H new ATOM 0 HB3 MET A 59 -0.514 -7.575 -2.725 1.00 0.27 H new ATOM 0 HG2 MET A 59 -0.817 -8.780 -4.608 1.00 0.64 H new ATOM 0 HG3 MET A 59 0.857 -9.237 -4.359 1.00 0.64 H new ATOM 0 HE1 MET A 59 -2.454 -11.279 -2.318 1.00 0.62 H new ATOM 0 HE2 MET A 59 -2.628 -9.832 -3.340 1.00 0.62 H new ATOM 0 HE3 MET A 59 -2.975 -11.444 -4.012 1.00 0.62 H new ATOM 881 N LEU A 60 1.661 -6.244 -1.223 1.00 0.12 N ATOM 882 CA LEU A 60 1.526 -5.022 -0.418 1.00 0.10 C ATOM 883 C LEU A 60 0.531 -4.053 -1.066 1.00 0.10 C ATOM 884 O LEU A 60 0.233 -4.156 -2.255 1.00 0.13 O ATOM 885 CB LEU A 60 2.854 -4.280 -0.295 1.00 0.13 C ATOM 886 CG LEU A 60 3.627 -4.483 0.998 1.00 0.11 C ATOM 887 CD1 LEU A 60 4.419 -5.764 0.974 1.00 0.12 C ATOM 888 CD2 LEU A 60 4.553 -3.321 1.222 1.00 0.14 C ATOM 0 H LEU A 60 2.154 -6.108 -2.105 1.00 0.12 H new ATOM 0 HA LEU A 60 1.180 -5.339 0.566 1.00 0.10 H new ATOM 0 HB2 LEU A 60 3.492 -4.583 -1.125 1.00 0.13 H new ATOM 0 HB3 LEU A 60 2.661 -3.214 -0.414 1.00 0.13 H new ATOM 0 HG LEU A 60 2.907 -4.547 1.814 1.00 0.11 H new ATOM 0 HD11 LEU A 60 4.959 -5.876 1.914 1.00 0.12 H new ATOM 0 HD12 LEU A 60 3.742 -6.608 0.842 1.00 0.12 H new ATOM 0 HD13 LEU A 60 5.130 -5.737 0.149 1.00 0.12 H new ATOM 0 HD21 LEU A 60 5.106 -3.470 2.150 1.00 0.14 H new ATOM 0 HD22 LEU A 60 5.253 -3.248 0.390 1.00 0.14 H new ATOM 0 HD23 LEU A 60 3.973 -2.401 1.289 1.00 0.14 H new ATOM 900 N ARG A 61 0.040 -3.104 -0.280 1.00 0.10 N ATOM 901 CA ARG A 61 -0.786 -2.014 -0.796 1.00 0.11 C ATOM 902 C ARG A 61 -0.685 -0.776 0.105 1.00 0.11 C ATOM 903 O ARG A 61 -1.116 -0.798 1.249 1.00 0.11 O ATOM 904 CB ARG A 61 -2.252 -2.434 -0.942 1.00 0.16 C ATOM 905 CG ARG A 61 -3.120 -1.371 -1.592 1.00 0.32 C ATOM 906 CD ARG A 61 -4.591 -1.697 -1.436 1.00 0.56 C ATOM 907 NE ARG A 61 -5.314 -1.661 -2.703 1.00 1.35 N ATOM 908 CZ ARG A 61 -6.535 -2.166 -2.864 1.00 1.67 C ATOM 909 NH1 ARG A 61 -7.179 -2.675 -1.824 1.00 1.46 N ATOM 910 NH2 ARG A 61 -7.116 -2.150 -4.055 1.00 2.72 N ATOM 0 H ARG A 61 0.200 -3.065 0.727 1.00 0.10 H new ATOM 0 HA ARG A 61 -0.404 -1.764 -1.786 1.00 0.11 H new ATOM 0 HB2 ARG A 61 -2.304 -3.347 -1.534 1.00 0.16 H new ATOM 0 HB3 ARG A 61 -2.655 -2.670 0.043 1.00 0.16 H new ATOM 0 HG2 ARG A 61 -2.910 -0.401 -1.142 1.00 0.32 H new ATOM 0 HG3 ARG A 61 -2.872 -1.292 -2.651 1.00 0.32 H new ATOM 0 HD2 ARG A 61 -4.694 -2.687 -0.992 1.00 0.56 H new ATOM 0 HD3 ARG A 61 -5.044 -0.988 -0.743 1.00 0.56 H new ATOM 0 HE ARG A 61 -4.860 -1.226 -3.507 1.00 1.35 H new ATOM 0 HH11 ARG A 61 -6.739 -2.679 -0.904 1.00 1.46 H new ATOM 0 HH12 ARG A 61 -8.115 -3.063 -1.944 1.00 1.46 H new ATOM 0 HH21 ARG A 61 -6.627 -1.749 -4.855 1.00 2.72 H new ATOM 0 HH22 ARG A 61 -8.052 -2.539 -4.171 1.00 2.72 H new ATOM 924 N LEU A 62 -0.120 0.297 -0.423 1.00 0.11 N ATOM 925 CA LEU A 62 0.050 1.545 0.319 1.00 0.11 C ATOM 926 C LEU A 62 -1.094 2.516 0.022 1.00 0.15 C ATOM 927 O LEU A 62 -1.187 3.063 -1.073 1.00 0.19 O ATOM 928 CB LEU A 62 1.407 2.169 -0.033 1.00 0.12 C ATOM 929 CG LEU A 62 2.570 1.644 0.809 1.00 0.20 C ATOM 930 CD1 LEU A 62 3.910 1.888 0.142 1.00 0.90 C ATOM 931 CD2 LEU A 62 2.562 2.294 2.171 1.00 0.86 C ATOM 0 H LEU A 62 0.235 0.332 -1.378 1.00 0.11 H new ATOM 0 HA LEU A 62 0.027 1.330 1.387 1.00 0.11 H new ATOM 0 HB2 LEU A 62 1.620 1.981 -1.085 1.00 0.12 H new ATOM 0 HB3 LEU A 62 1.341 3.250 0.091 1.00 0.12 H new ATOM 0 HG LEU A 62 2.435 0.567 0.910 1.00 0.20 H new ATOM 0 HD11 LEU A 62 4.708 1.499 0.775 1.00 0.90 H new ATOM 0 HD12 LEU A 62 3.933 1.382 -0.823 1.00 0.90 H new ATOM 0 HD13 LEU A 62 4.053 2.958 -0.006 1.00 0.90 H new ATOM 0 HD21 LEU A 62 3.395 1.912 2.761 1.00 0.86 H new ATOM 0 HD22 LEU A 62 2.661 3.374 2.059 1.00 0.86 H new ATOM 0 HD23 LEU A 62 1.624 2.066 2.677 1.00 0.86 H new ATOM 943 N ILE A 63 -1.950 2.735 1.012 1.00 0.17 N ATOM 944 CA ILE A 63 -3.151 3.550 0.851 1.00 0.23 C ATOM 945 C ILE A 63 -2.850 5.021 1.094 1.00 0.21 C ATOM 946 O ILE A 63 -2.613 5.425 2.227 1.00 0.25 O ATOM 947 CB ILE A 63 -4.244 3.143 1.870 1.00 0.30 C ATOM 948 CG1 ILE A 63 -4.214 1.640 2.146 1.00 0.30 C ATOM 949 CG2 ILE A 63 -5.623 3.573 1.383 1.00 0.40 C ATOM 950 CD1 ILE A 63 -4.477 0.791 0.936 1.00 0.33 C ATOM 0 H ILE A 63 -1.833 2.353 1.950 1.00 0.17 H new ATOM 0 HA ILE A 63 -3.497 3.389 -0.170 1.00 0.23 H new ATOM 0 HB ILE A 63 -4.033 3.659 2.807 1.00 0.30 H new ATOM 0 HG12 ILE A 63 -3.240 1.376 2.557 1.00 0.30 H new ATOM 0 HG13 ILE A 63 -4.956 1.406 2.909 1.00 0.30 H new ATOM 0 HG21 ILE A 63 -6.376 3.277 2.114 1.00 0.40 H new ATOM 0 HG22 ILE A 63 -5.644 4.656 1.259 1.00 0.40 H new ATOM 0 HG23 ILE A 63 -5.837 3.094 0.428 1.00 0.40 H new ATOM 0 HD11 ILE A 63 -4.438 -0.262 1.215 1.00 0.33 H new ATOM 0 HD12 ILE A 63 -5.463 1.024 0.535 1.00 0.33 H new ATOM 0 HD13 ILE A 63 -3.720 0.993 0.178 1.00 0.33 H new ATOM 962 N GLY A 64 -2.879 5.820 0.040 1.00 0.27 N ATOM 963 CA GLY A 64 -2.669 7.244 0.201 1.00 0.30 C ATOM 964 C GLY A 64 -3.891 7.907 0.794 1.00 0.35 C ATOM 965 O GLY A 64 -5.019 7.520 0.494 1.00 0.48 O ATOM 0 H GLY A 64 -3.043 5.512 -0.918 1.00 0.27 H new ATOM 0 HA2 GLY A 64 -1.807 7.418 0.846 1.00 0.30 H new ATOM 0 HA3 GLY A 64 -2.440 7.693 -0.765 1.00 0.30 H new ATOM 969 N LYS A 65 -3.667 8.891 1.645 1.00 0.30 N ATOM 970 CA LYS A 65 -4.743 9.548 2.369 1.00 0.33 C ATOM 971 C LYS A 65 -5.692 10.278 1.444 1.00 0.38 C ATOM 972 O LYS A 65 -5.280 10.993 0.535 1.00 0.41 O ATOM 973 CB LYS A 65 -4.177 10.528 3.386 1.00 0.34 C ATOM 974 CG LYS A 65 -3.652 9.853 4.634 1.00 0.36 C ATOM 975 CD LYS A 65 -2.331 10.445 5.079 1.00 0.40 C ATOM 976 CE LYS A 65 -2.053 10.195 6.552 1.00 0.43 C ATOM 977 NZ LYS A 65 -3.106 10.773 7.431 1.00 1.15 N ATOM 0 H LYS A 65 -2.738 9.257 1.854 1.00 0.30 H new ATOM 0 HA LYS A 65 -5.305 8.766 2.880 1.00 0.33 H new ATOM 0 HB2 LYS A 65 -3.372 11.098 2.923 1.00 0.34 H new ATOM 0 HB3 LYS A 65 -4.953 11.241 3.665 1.00 0.34 H new ATOM 0 HG2 LYS A 65 -4.383 9.952 5.436 1.00 0.36 H new ATOM 0 HG3 LYS A 65 -3.528 8.787 4.446 1.00 0.36 H new ATOM 0 HD2 LYS A 65 -1.525 10.018 4.482 1.00 0.40 H new ATOM 0 HD3 LYS A 65 -2.334 11.518 4.889 1.00 0.40 H new ATOM 0 HE2 LYS A 65 -1.983 9.122 6.729 1.00 0.43 H new ATOM 0 HE3 LYS A 65 -1.087 10.625 6.815 1.00 0.43 H new ATOM 0 HZ1 LYS A 65 -2.661 11.354 8.170 1.00 1.15 H new ATOM 0 HZ2 LYS A 65 -3.745 11.365 6.864 1.00 1.15 H new ATOM 0 HZ3 LYS A 65 -3.649 10.004 7.874 1.00 1.15 H new ATOM 991 N VAL A 66 -6.968 10.086 1.701 1.00 0.42 N ATOM 992 CA VAL A 66 -8.011 10.805 0.998 1.00 0.51 C ATOM 993 C VAL A 66 -8.204 12.159 1.670 1.00 0.57 C ATOM 994 O VAL A 66 -7.669 12.388 2.756 1.00 0.61 O ATOM 995 CB VAL A 66 -9.329 9.998 0.990 1.00 0.57 C ATOM 996 CG1 VAL A 66 -9.898 9.869 2.392 1.00 0.58 C ATOM 997 CG2 VAL A 66 -10.358 10.594 0.038 1.00 0.69 C ATOM 0 H VAL A 66 -7.312 9.429 2.401 1.00 0.42 H new ATOM 0 HA VAL A 66 -7.718 10.952 -0.042 1.00 0.51 H new ATOM 0 HB VAL A 66 -9.091 8.999 0.624 1.00 0.57 H new ATOM 0 HG11 VAL A 66 -10.825 9.297 2.357 1.00 0.58 H new ATOM 0 HG12 VAL A 66 -9.179 9.356 3.031 1.00 0.58 H new ATOM 0 HG13 VAL A 66 -10.099 10.861 2.796 1.00 0.58 H new ATOM 0 HG21 VAL A 66 -11.268 9.995 0.065 1.00 0.69 H new ATOM 0 HG22 VAL A 66 -10.587 11.615 0.342 1.00 0.69 H new ATOM 0 HG23 VAL A 66 -9.956 10.599 -0.975 1.00 0.69 H new ATOM 1294 N GLN A 85 -6.712 7.066 -2.667 1.00 0.51 N ATOM 1295 CA GLN A 85 -5.909 6.512 -3.745 1.00 0.52 C ATOM 1296 C GLN A 85 -4.772 5.682 -3.178 1.00 0.43 C ATOM 1297 O GLN A 85 -3.907 6.178 -2.465 1.00 0.54 O ATOM 1298 CB GLN A 85 -5.393 7.608 -4.691 1.00 0.62 C ATOM 1299 CG GLN A 85 -5.545 9.034 -4.168 1.00 0.85 C ATOM 1300 CD GLN A 85 -4.588 9.375 -3.041 1.00 0.87 C ATOM 1301 OE1 GLN A 85 -3.396 8.809 -3.078 1.00 1.78 O flip ATOM 1302 NE2 GLN A 85 -4.916 10.168 -2.161 1.00 0.97 N flip ATOM 0 HA GLN A 85 -6.545 5.858 -4.342 1.00 0.52 H new ATOM 0 HB2 GLN A 85 -4.339 7.423 -4.897 1.00 0.62 H new ATOM 0 HB3 GLN A 85 -5.922 7.527 -5.640 1.00 0.62 H new ATOM 0 HG2 GLN A 85 -5.388 9.732 -4.990 1.00 0.85 H new ATOM 0 HG3 GLN A 85 -6.568 9.177 -3.820 1.00 0.85 H new ATOM 0 HE21 GLN A 85 -5.848 10.583 -2.170 1.00 0.97 H new ATOM 0 HE22 GLN A 85 -4.256 10.411 -1.422 1.00 0.97 H new ATOM 1311 N ARG A 86 -4.785 4.410 -3.500 1.00 0.31 N ATOM 1312 CA ARG A 86 -3.903 3.464 -2.860 1.00 0.27 C ATOM 1313 C ARG A 86 -3.075 2.698 -3.880 1.00 0.26 C ATOM 1314 O ARG A 86 -3.543 2.369 -4.968 1.00 0.40 O ATOM 1315 CB ARG A 86 -4.725 2.521 -1.985 1.00 0.36 C ATOM 1316 CG ARG A 86 -5.951 1.975 -2.690 1.00 0.72 C ATOM 1317 CD ARG A 86 -6.880 1.261 -1.743 1.00 0.54 C ATOM 1318 NE ARG A 86 -8.037 0.704 -2.437 1.00 1.21 N ATOM 1319 CZ ARG A 86 -9.105 0.201 -1.826 1.00 1.48 C ATOM 1320 NH1 ARG A 86 -9.187 0.199 -0.500 1.00 1.48 N ATOM 1321 NH2 ARG A 86 -10.096 -0.305 -2.543 1.00 2.29 N ATOM 0 H ARG A 86 -5.400 4.005 -4.205 1.00 0.31 H new ATOM 0 HA ARG A 86 -3.198 4.007 -2.230 1.00 0.27 H new ATOM 0 HB2 ARG A 86 -4.096 1.690 -1.666 1.00 0.36 H new ATOM 0 HB3 ARG A 86 -5.036 3.049 -1.084 1.00 0.36 H new ATOM 0 HG2 ARG A 86 -6.485 2.793 -3.173 1.00 0.72 H new ATOM 0 HG3 ARG A 86 -5.640 1.289 -3.478 1.00 0.72 H new ATOM 0 HD2 ARG A 86 -6.339 0.461 -1.237 1.00 0.54 H new ATOM 0 HD3 ARG A 86 -7.217 1.954 -0.972 1.00 0.54 H new ATOM 0 HE ARG A 86 -8.025 0.701 -3.457 1.00 1.21 H new ATOM 0 HH11 ARG A 86 -8.426 0.586 0.059 1.00 1.48 H new ATOM 0 HH12 ARG A 86 -10.011 -0.189 -0.041 1.00 1.48 H new ATOM 0 HH21 ARG A 86 -10.039 -0.308 -3.561 1.00 2.29 H new ATOM 0 HH22 ARG A 86 -10.917 -0.692 -2.077 1.00 2.29 H new ATOM 1335 N HIS A 87 -1.843 2.424 -3.506 1.00 0.19 N ATOM 1336 CA HIS A 87 -0.871 1.819 -4.395 1.00 0.18 C ATOM 1337 C HIS A 87 -0.667 0.355 -4.042 1.00 0.15 C ATOM 1338 O HIS A 87 -0.121 0.040 -2.992 1.00 0.14 O ATOM 1339 CB HIS A 87 0.458 2.563 -4.261 1.00 0.21 C ATOM 1340 CG HIS A 87 0.372 4.024 -4.577 1.00 0.28 C ATOM 1341 ND1 HIS A 87 0.428 5.108 -3.766 1.00 0.41 N flip ATOM 1342 CD2 HIS A 87 0.215 4.512 -5.853 1.00 0.36 C flip ATOM 1343 CE1 HIS A 87 0.310 6.215 -4.563 1.00 0.50 C flip ATOM 1344 NE2 HIS A 87 0.182 5.830 -5.815 1.00 0.47 N flip ATOM 0 H HIS A 87 -1.484 2.616 -2.571 1.00 0.19 H new ATOM 0 HA HIS A 87 -1.237 1.884 -5.420 1.00 0.18 H new ATOM 0 HB2 HIS A 87 0.829 2.443 -3.243 1.00 0.21 H new ATOM 0 HB3 HIS A 87 1.190 2.101 -4.923 1.00 0.21 H new ATOM 0 HD2 HIS A 87 0.132 3.910 -6.746 1.00 0.36 H new ATOM 0 HE1 HIS A 87 0.320 7.239 -4.220 1.00 0.50 H new ATOM 0 HE2 HIS A 87 0.075 6.447 -6.620 1.00 0.47 H new ATOM 1353 N MET A 88 -1.077 -0.532 -4.919 1.00 0.16 N ATOM 1354 CA MET A 88 -0.961 -1.960 -4.658 1.00 0.15 C ATOM 1355 C MET A 88 0.131 -2.566 -5.513 1.00 0.20 C ATOM 1356 O MET A 88 0.125 -2.414 -6.733 1.00 0.30 O ATOM 1357 CB MET A 88 -2.278 -2.689 -4.935 1.00 0.20 C ATOM 1358 CG MET A 88 -2.168 -4.195 -4.743 1.00 0.23 C ATOM 1359 SD MET A 88 -3.649 -5.087 -5.260 1.00 0.32 S ATOM 1360 CE MET A 88 -4.706 -4.833 -3.838 1.00 0.42 C ATOM 0 H MET A 88 -1.494 -0.297 -5.820 1.00 0.16 H new ATOM 0 HA MET A 88 -0.712 -2.078 -3.603 1.00 0.15 H new ATOM 0 HB2 MET A 88 -3.051 -2.298 -4.273 1.00 0.20 H new ATOM 0 HB3 MET A 88 -2.597 -2.479 -5.956 1.00 0.20 H new ATOM 0 HG2 MET A 88 -1.313 -4.565 -5.308 1.00 0.23 H new ATOM 0 HG3 MET A 88 -1.972 -4.408 -3.692 1.00 0.23 H new ATOM 0 HE1 MET A 88 -4.815 -5.771 -3.293 1.00 0.42 H new ATOM 0 HE2 MET A 88 -4.262 -4.083 -3.184 1.00 0.42 H new ATOM 0 HE3 MET A 88 -5.686 -4.491 -4.170 1.00 0.42 H new ATOM 1370 N PHE A 89 1.079 -3.238 -4.878 1.00 0.18 N ATOM 1371 CA PHE A 89 2.112 -3.921 -5.608 1.00 0.28 C ATOM 1372 C PHE A 89 2.005 -5.411 -5.330 1.00 0.31 C ATOM 1373 O PHE A 89 1.719 -5.815 -4.204 1.00 0.43 O ATOM 1374 CB PHE A 89 3.479 -3.382 -5.182 1.00 0.34 C ATOM 1375 CG PHE A 89 3.397 -2.046 -4.495 1.00 0.57 C ATOM 1376 CD1 PHE A 89 3.380 -0.871 -5.232 1.00 0.81 C ATOM 1377 CD2 PHE A 89 3.353 -1.963 -3.115 1.00 0.93 C ATOM 1378 CE1 PHE A 89 3.317 0.357 -4.604 1.00 1.17 C ATOM 1379 CE2 PHE A 89 3.292 -0.739 -2.481 1.00 1.26 C ATOM 1380 CZ PHE A 89 3.219 0.420 -3.227 1.00 1.33 C ATOM 0 H PHE A 89 1.146 -3.319 -3.863 1.00 0.18 H new ATOM 0 HA PHE A 89 1.997 -3.752 -6.679 1.00 0.28 H new ATOM 0 HB2 PHE A 89 3.954 -4.100 -4.513 1.00 0.34 H new ATOM 0 HB3 PHE A 89 4.118 -3.294 -6.060 1.00 0.34 H new ATOM 0 HD1 PHE A 89 3.416 -0.917 -6.310 1.00 0.81 H new ATOM 0 HD2 PHE A 89 3.367 -2.868 -2.526 1.00 0.93 H new ATOM 0 HE1 PHE A 89 3.344 1.266 -5.187 1.00 1.17 H new ATOM 0 HE2 PHE A 89 3.301 -0.688 -1.402 1.00 1.26 H new ATOM 0 HZ PHE A 89 3.086 1.373 -2.736 1.00 1.33 H new ATOM 1390 N SER A 90 2.187 -6.225 -6.348 1.00 0.26 N ATOM 1391 CA SER A 90 2.178 -7.656 -6.162 1.00 0.26 C ATOM 1392 C SER A 90 3.604 -8.152 -6.047 1.00 0.23 C ATOM 1393 O SER A 90 4.461 -7.821 -6.866 1.00 0.24 O ATOM 1394 CB SER A 90 1.443 -8.356 -7.304 1.00 0.28 C ATOM 1395 OG SER A 90 1.339 -9.749 -7.072 1.00 0.94 O ATOM 0 H SER A 90 2.342 -5.920 -7.309 1.00 0.26 H new ATOM 0 HA SER A 90 1.642 -7.892 -5.243 1.00 0.26 H new ATOM 0 HB2 SER A 90 0.447 -7.928 -7.414 1.00 0.28 H new ATOM 0 HB3 SER A 90 1.971 -8.180 -8.241 1.00 0.28 H new ATOM 0 HG SER A 90 0.863 -10.170 -7.818 1.00 0.94 H new ATOM 1401 N PHE A 91 3.860 -8.902 -5.001 1.00 0.21 N ATOM 1402 CA PHE A 91 5.199 -9.397 -4.723 1.00 0.21 C ATOM 1403 C PHE A 91 5.257 -10.894 -4.985 1.00 0.23 C ATOM 1404 O PHE A 91 4.227 -11.545 -5.118 1.00 0.28 O ATOM 1405 CB PHE A 91 5.579 -9.057 -3.273 1.00 0.30 C ATOM 1406 CG PHE A 91 5.528 -7.574 -2.997 1.00 0.63 C ATOM 1407 CD1 PHE A 91 4.337 -6.874 -3.007 1.00 0.99 C ATOM 1408 CD2 PHE A 91 6.682 -6.888 -2.696 1.00 0.91 C ATOM 1409 CE1 PHE A 91 4.313 -5.517 -2.723 1.00 1.29 C ATOM 1410 CE2 PHE A 91 6.660 -5.545 -2.415 1.00 1.20 C ATOM 1411 CZ PHE A 91 5.392 -4.838 -2.548 1.00 1.33 C ATOM 0 H PHE A 91 3.156 -9.188 -4.320 1.00 0.21 H new ATOM 0 HA PHE A 91 5.921 -8.916 -5.383 1.00 0.21 H new ATOM 0 HB2 PHE A 91 4.902 -9.574 -2.592 1.00 0.30 H new ATOM 0 HB3 PHE A 91 6.583 -9.428 -3.067 1.00 0.30 H new ATOM 0 HD1 PHE A 91 3.416 -7.389 -3.238 1.00 0.99 H new ATOM 0 HD2 PHE A 91 7.624 -7.417 -2.681 1.00 0.91 H new ATOM 0 HE1 PHE A 91 3.360 -5.015 -2.646 1.00 1.29 H new ATOM 0 HE2 PHE A 91 7.555 -5.027 -2.105 1.00 1.20 H new ATOM 0 HZ PHE A 91 5.359 -3.760 -2.500 1.00 1.33 H new ATOM 1421 N ASN A 92 6.458 -11.441 -5.090 1.00 0.31 N ATOM 1422 CA ASN A 92 6.608 -12.831 -5.493 1.00 0.39 C ATOM 1423 C ASN A 92 7.068 -13.684 -4.330 1.00 0.35 C ATOM 1424 O ASN A 92 7.208 -14.901 -4.456 1.00 0.42 O ATOM 1425 CB ASN A 92 7.606 -12.953 -6.647 1.00 0.51 C ATOM 1426 CG ASN A 92 7.207 -12.125 -7.856 1.00 0.80 C ATOM 1427 OD1 ASN A 92 7.648 -10.982 -8.015 1.00 1.53 O ATOM 1428 ND2 ASN A 92 6.358 -12.684 -8.704 1.00 1.27 N ATOM 0 H ASN A 92 7.333 -10.951 -4.904 1.00 0.31 H new ATOM 0 HA ASN A 92 5.633 -13.188 -5.826 1.00 0.39 H new ATOM 0 HB2 ASN A 92 8.592 -12.637 -6.305 1.00 0.51 H new ATOM 0 HB3 ASN A 92 7.690 -13.999 -6.940 1.00 0.51 H new ATOM 0 HD21 ASN A 92 6.044 -12.168 -9.526 1.00 1.27 H new ATOM 0 HD22 ASN A 92 6.018 -13.631 -8.536 1.00 1.27 H new ATOM 1435 N ASN A 93 7.308 -13.040 -3.199 1.00 0.30 N ATOM 1436 CA ASN A 93 7.791 -13.740 -2.023 1.00 0.32 C ATOM 1437 C ASN A 93 7.244 -13.099 -0.755 1.00 0.28 C ATOM 1438 O ASN A 93 7.351 -11.885 -0.550 1.00 0.23 O ATOM 1439 CB ASN A 93 9.324 -13.726 -2.022 1.00 0.37 C ATOM 1440 CG ASN A 93 9.942 -14.641 -0.974 1.00 0.44 C ATOM 1441 OD1 ASN A 93 9.391 -14.843 0.106 1.00 0.71 O ATOM 1442 ND2 ASN A 93 11.101 -15.199 -1.286 1.00 0.83 N ATOM 0 H ASN A 93 7.176 -12.037 -3.072 1.00 0.30 H new ATOM 0 HA ASN A 93 7.443 -14.772 -2.049 1.00 0.32 H new ATOM 0 HB2 ASN A 93 9.682 -14.023 -3.008 1.00 0.37 H new ATOM 0 HB3 ASN A 93 9.669 -12.706 -1.851 1.00 0.37 H new ATOM 0 HD21 ASN A 93 11.564 -15.818 -0.621 1.00 0.83 H new ATOM 0 HD22 ASN A 93 11.531 -15.010 -2.191 1.00 0.83 H new ATOM 1449 N ARG A 94 6.648 -13.942 0.086 1.00 0.34 N ATOM 1450 CA ARG A 94 6.029 -13.520 1.336 1.00 0.37 C ATOM 1451 C ARG A 94 7.052 -12.895 2.278 1.00 0.30 C ATOM 1452 O ARG A 94 6.708 -12.047 3.102 1.00 0.27 O ATOM 1453 CB ARG A 94 5.356 -14.725 2.000 1.00 0.57 C ATOM 1454 CG ARG A 94 4.746 -14.441 3.356 1.00 0.90 C ATOM 1455 CD ARG A 94 3.637 -13.424 3.257 1.00 0.71 C ATOM 1456 NE ARG A 94 2.977 -13.205 4.546 1.00 0.99 N ATOM 1457 CZ ARG A 94 3.544 -12.585 5.586 1.00 1.35 C ATOM 1458 NH1 ARG A 94 4.774 -12.092 5.489 1.00 2.16 N ATOM 1459 NH2 ARG A 94 2.879 -12.456 6.726 1.00 1.70 N ATOM 0 H ARG A 94 6.582 -14.945 -0.085 1.00 0.34 H new ATOM 0 HA ARG A 94 5.280 -12.760 1.115 1.00 0.37 H new ATOM 0 HB2 ARG A 94 4.576 -15.099 1.337 1.00 0.57 H new ATOM 0 HB3 ARG A 94 6.092 -15.522 2.108 1.00 0.57 H new ATOM 0 HG2 ARG A 94 4.357 -15.366 3.783 1.00 0.90 H new ATOM 0 HG3 ARG A 94 5.517 -14.076 4.035 1.00 0.90 H new ATOM 0 HD2 ARG A 94 4.042 -12.480 2.892 1.00 0.71 H new ATOM 0 HD3 ARG A 94 2.902 -13.759 2.526 1.00 0.71 H new ATOM 0 HE ARG A 94 2.023 -13.548 4.658 1.00 0.99 H new ATOM 0 HH11 ARG A 94 5.293 -12.185 4.616 1.00 2.16 H new ATOM 0 HH12 ARG A 94 5.199 -11.620 6.287 1.00 2.16 H new ATOM 0 HH21 ARG A 94 1.934 -12.830 6.810 1.00 1.70 H new ATOM 0 HH22 ARG A 94 3.313 -11.983 7.519 1.00 1.70 H new ATOM 1473 N THR A 95 8.304 -13.301 2.141 1.00 0.30 N ATOM 1474 CA THR A 95 9.371 -12.769 2.965 1.00 0.27 C ATOM 1475 C THR A 95 9.738 -11.356 2.521 1.00 0.21 C ATOM 1476 O THR A 95 9.664 -10.417 3.306 1.00 0.18 O ATOM 1477 CB THR A 95 10.610 -13.674 2.909 1.00 0.32 C ATOM 1478 OG1 THR A 95 10.269 -14.987 3.376 1.00 0.40 O ATOM 1479 CG2 THR A 95 11.733 -13.095 3.751 1.00 0.32 C ATOM 0 H THR A 95 8.605 -14.001 1.463 1.00 0.30 H new ATOM 0 HA THR A 95 9.013 -12.734 3.994 1.00 0.27 H new ATOM 0 HB THR A 95 10.954 -13.737 1.876 1.00 0.32 H new ATOM 0 HG1 THR A 95 11.061 -15.564 3.338 1.00 0.40 H new ATOM 0 HG21 THR A 95 12.602 -13.751 3.699 1.00 0.32 H new ATOM 0 HG22 THR A 95 12.000 -12.108 3.373 1.00 0.32 H new ATOM 0 HG23 THR A 95 11.405 -13.010 4.787 1.00 0.32 H new ATOM 1487 N VAL A 96 10.121 -11.220 1.255 1.00 0.23 N ATOM 1488 CA VAL A 96 10.401 -9.917 0.651 1.00 0.21 C ATOM 1489 C VAL A 96 9.319 -8.911 0.987 1.00 0.19 C ATOM 1490 O VAL A 96 9.601 -7.835 1.509 1.00 0.19 O ATOM 1491 CB VAL A 96 10.472 -10.022 -0.885 1.00 0.25 C ATOM 1492 CG1 VAL A 96 10.753 -8.661 -1.505 1.00 0.28 C ATOM 1493 CG2 VAL A 96 11.527 -11.030 -1.308 1.00 0.29 C ATOM 0 H VAL A 96 10.246 -12.007 0.618 1.00 0.23 H new ATOM 0 HA VAL A 96 11.359 -9.589 1.055 1.00 0.21 H new ATOM 0 HB VAL A 96 9.504 -10.369 -1.246 1.00 0.25 H new ATOM 0 HG11 VAL A 96 10.799 -8.758 -2.590 1.00 0.28 H new ATOM 0 HG12 VAL A 96 9.956 -7.967 -1.236 1.00 0.28 H new ATOM 0 HG13 VAL A 96 11.705 -8.282 -1.134 1.00 0.28 H new ATOM 0 HG21 VAL A 96 11.560 -11.088 -2.396 1.00 0.29 H new ATOM 0 HG22 VAL A 96 12.501 -10.717 -0.932 1.00 0.29 H new ATOM 0 HG23 VAL A 96 11.278 -12.010 -0.900 1.00 0.29 H new ATOM 1503 N MET A 97 8.078 -9.270 0.698 1.00 0.19 N ATOM 1504 CA MET A 97 6.972 -8.366 0.928 1.00 0.19 C ATOM 1505 C MET A 97 6.786 -8.111 2.418 1.00 0.17 C ATOM 1506 O MET A 97 6.321 -7.050 2.812 1.00 0.19 O ATOM 1507 CB MET A 97 5.697 -8.916 0.294 1.00 0.21 C ATOM 1508 CG MET A 97 5.063 -10.077 1.035 1.00 0.22 C ATOM 1509 SD MET A 97 3.450 -9.672 1.722 1.00 0.29 S ATOM 1510 CE MET A 97 3.881 -9.251 3.399 1.00 0.17 C ATOM 0 H MET A 97 7.817 -10.175 0.307 1.00 0.19 H new ATOM 0 HA MET A 97 7.198 -7.410 0.456 1.00 0.19 H new ATOM 0 HB2 MET A 97 4.968 -8.109 0.221 1.00 0.21 H new ATOM 0 HB3 MET A 97 5.923 -9.234 -0.724 1.00 0.21 H new ATOM 0 HG2 MET A 97 4.961 -10.923 0.355 1.00 0.22 H new ATOM 0 HG3 MET A 97 5.726 -10.393 1.840 1.00 0.22 H new ATOM 0 HE1 MET A 97 3.009 -9.376 4.041 1.00 0.17 H new ATOM 0 HE2 MET A 97 4.682 -9.905 3.744 1.00 0.17 H new ATOM 0 HE3 MET A 97 4.216 -8.214 3.439 1.00 0.17 H new ATOM 1520 N ASP A 98 7.173 -9.068 3.256 1.00 0.16 N ATOM 1521 CA ASP A 98 7.080 -8.870 4.697 1.00 0.16 C ATOM 1522 C ASP A 98 8.088 -7.826 5.121 1.00 0.15 C ATOM 1523 O ASP A 98 7.830 -7.005 5.999 1.00 0.22 O ATOM 1524 CB ASP A 98 7.334 -10.168 5.457 1.00 0.21 C ATOM 1525 CG ASP A 98 7.138 -9.995 6.945 1.00 0.30 C ATOM 1526 OD1 ASP A 98 5.984 -9.868 7.390 1.00 0.38 O ATOM 1527 OD2 ASP A 98 8.150 -9.999 7.678 1.00 0.39 O ATOM 0 H ASP A 98 7.547 -9.972 2.969 1.00 0.16 H new ATOM 0 HA ASP A 98 6.070 -8.536 4.934 1.00 0.16 H new ATOM 0 HB2 ASP A 98 6.660 -10.942 5.089 1.00 0.21 H new ATOM 0 HB3 ASP A 98 8.350 -10.511 5.262 1.00 0.21 H new ATOM 1532 N ASN A 99 9.211 -7.844 4.432 1.00 0.12 N ATOM 1533 CA ASN A 99 10.316 -6.945 4.703 1.00 0.13 C ATOM 1534 C ASN A 99 9.962 -5.548 4.227 1.00 0.15 C ATOM 1535 O ASN A 99 10.095 -4.570 4.958 1.00 0.24 O ATOM 1536 CB ASN A 99 11.564 -7.454 3.976 1.00 0.22 C ATOM 1537 CG ASN A 99 12.070 -8.770 4.534 1.00 0.71 C ATOM 1538 OD1 ASN A 99 12.493 -9.664 3.652 1.00 1.55 O flip ATOM 1539 ND2 ASN A 99 12.054 -8.998 5.743 1.00 0.50 N flip ATOM 0 H ASN A 99 9.384 -8.489 3.661 1.00 0.12 H new ATOM 0 HA ASN A 99 10.514 -6.910 5.774 1.00 0.13 H new ATOM 0 HB2 ASN A 99 11.338 -7.576 2.917 1.00 0.22 H new ATOM 0 HB3 ASN A 99 12.353 -6.705 4.049 1.00 0.22 H new ATOM 0 HD21 ASN A 99 11.721 -8.285 6.392 1.00 0.50 H new ATOM 0 HD22 ASN A 99 12.373 -9.900 6.096 1.00 0.50 H new ATOM 1546 N ILE A 100 9.488 -5.477 2.997 1.00 0.12 N ATOM 1547 CA ILE A 100 8.994 -4.237 2.419 1.00 0.12 C ATOM 1548 C ILE A 100 7.893 -3.640 3.298 1.00 0.11 C ATOM 1549 O ILE A 100 7.965 -2.478 3.701 1.00 0.13 O ATOM 1550 CB ILE A 100 8.427 -4.501 1.007 1.00 0.11 C ATOM 1551 CG1 ILE A 100 9.535 -4.969 0.075 1.00 0.13 C ATOM 1552 CG2 ILE A 100 7.766 -3.256 0.442 1.00 0.12 C ATOM 1553 CD1 ILE A 100 10.581 -3.909 -0.167 1.00 0.11 C ATOM 0 H ILE A 100 9.434 -6.278 2.368 1.00 0.12 H new ATOM 0 HA ILE A 100 9.824 -3.533 2.355 1.00 0.12 H new ATOM 0 HB ILE A 100 7.672 -5.283 1.087 1.00 0.11 H new ATOM 0 HG12 ILE A 100 10.011 -5.853 0.499 1.00 0.13 H new ATOM 0 HG13 ILE A 100 9.100 -5.268 -0.879 1.00 0.13 H new ATOM 0 HG21 ILE A 100 7.376 -3.471 -0.553 1.00 0.12 H new ATOM 0 HG22 ILE A 100 6.948 -2.950 1.094 1.00 0.12 H new ATOM 0 HG23 ILE A 100 8.499 -2.452 0.378 1.00 0.12 H new ATOM 0 HD11 ILE A 100 11.346 -4.299 -0.839 1.00 0.11 H new ATOM 0 HD12 ILE A 100 10.114 -3.033 -0.618 1.00 0.11 H new ATOM 0 HD13 ILE A 100 11.040 -3.628 0.781 1.00 0.11 H new ATOM 1565 N LYS A 101 6.882 -4.459 3.599 1.00 0.11 N ATOM 1566 CA LYS A 101 5.768 -4.053 4.440 1.00 0.12 C ATOM 1567 C LYS A 101 6.262 -3.490 5.760 1.00 0.11 C ATOM 1568 O LYS A 101 5.888 -2.384 6.155 1.00 0.14 O ATOM 1569 CB LYS A 101 4.843 -5.261 4.681 1.00 0.18 C ATOM 1570 CG LYS A 101 3.748 -5.060 5.727 1.00 0.89 C ATOM 1571 CD LYS A 101 4.216 -5.157 7.187 1.00 0.75 C ATOM 1572 CE LYS A 101 5.085 -6.381 7.487 1.00 0.42 C ATOM 1573 NZ LYS A 101 4.469 -7.657 7.017 1.00 1.11 N ATOM 0 H LYS A 101 6.819 -5.420 3.264 1.00 0.11 H new ATOM 0 HA LYS A 101 5.210 -3.267 3.932 1.00 0.12 H new ATOM 0 HB2 LYS A 101 4.372 -5.528 3.735 1.00 0.18 H new ATOM 0 HB3 LYS A 101 5.456 -6.110 4.983 1.00 0.18 H new ATOM 0 HG2 LYS A 101 3.294 -4.081 5.572 1.00 0.89 H new ATOM 0 HG3 LYS A 101 2.968 -5.803 5.562 1.00 0.89 H new ATOM 0 HD2 LYS A 101 4.777 -4.257 7.438 1.00 0.75 H new ATOM 0 HD3 LYS A 101 3.341 -5.178 7.837 1.00 0.75 H new ATOM 0 HE2 LYS A 101 6.058 -6.256 7.011 1.00 0.42 H new ATOM 0 HE3 LYS A 101 5.261 -6.442 8.561 1.00 0.42 H new ATOM 0 HZ1 LYS A 101 5.010 -8.462 7.391 1.00 1.11 H new ATOM 0 HZ2 LYS A 101 3.487 -7.713 7.354 1.00 1.11 H new ATOM 0 HZ3 LYS A 101 4.480 -7.686 5.977 1.00 1.11 H new ATOM 1587 N MET A 102 7.108 -4.255 6.437 1.00 0.09 N ATOM 1588 CA MET A 102 7.535 -3.899 7.776 1.00 0.09 C ATOM 1589 C MET A 102 8.398 -2.650 7.725 1.00 0.09 C ATOM 1590 O MET A 102 8.496 -1.914 8.696 1.00 0.12 O ATOM 1591 CB MET A 102 8.299 -5.054 8.434 1.00 0.10 C ATOM 1592 CG MET A 102 9.703 -5.215 7.909 1.00 0.16 C ATOM 1593 SD MET A 102 10.664 -6.454 8.801 1.00 0.88 S ATOM 1594 CE MET A 102 10.732 -5.710 10.428 1.00 1.17 C ATOM 0 H MET A 102 7.509 -5.122 6.079 1.00 0.09 H new ATOM 0 HA MET A 102 6.651 -3.697 8.381 1.00 0.09 H new ATOM 0 HB2 MET A 102 8.338 -4.888 9.511 1.00 0.10 H new ATOM 0 HB3 MET A 102 7.750 -5.982 8.274 1.00 0.10 H new ATOM 0 HG2 MET A 102 9.660 -5.489 6.855 1.00 0.16 H new ATOM 0 HG3 MET A 102 10.217 -4.256 7.968 1.00 0.16 H new ATOM 0 HE1 MET A 102 11.601 -6.090 10.966 1.00 1.17 H new ATOM 0 HE2 MET A 102 10.811 -4.627 10.330 1.00 1.17 H new ATOM 0 HE3 MET A 102 9.826 -5.959 10.980 1.00 1.17 H new ATOM 1604 N THR A 103 9.010 -2.418 6.575 1.00 0.08 N ATOM 1605 CA THR A 103 9.798 -1.227 6.355 1.00 0.08 C ATOM 1606 C THR A 103 8.900 -0.001 6.351 1.00 0.08 C ATOM 1607 O THR A 103 9.143 0.978 7.058 1.00 0.09 O ATOM 1608 CB THR A 103 10.533 -1.314 5.007 1.00 0.10 C ATOM 1609 OG1 THR A 103 11.497 -2.373 5.039 1.00 0.15 O ATOM 1610 CG2 THR A 103 11.210 -0.008 4.665 1.00 0.11 C ATOM 0 H THR A 103 8.972 -3.049 5.775 1.00 0.08 H new ATOM 0 HA THR A 103 10.528 -1.145 7.161 1.00 0.08 H new ATOM 0 HB THR A 103 9.794 -1.523 4.234 1.00 0.10 H new ATOM 0 HG1 THR A 103 11.065 -3.217 4.790 1.00 0.15 H new ATOM 0 HG21 THR A 103 11.720 -0.103 3.707 1.00 0.11 H new ATOM 0 HG22 THR A 103 10.463 0.783 4.602 1.00 0.11 H new ATOM 0 HG23 THR A 103 11.936 0.239 5.440 1.00 0.11 H new ATOM 1618 N LEU A 104 7.845 -0.088 5.558 1.00 0.08 N ATOM 1619 CA LEU A 104 6.945 1.027 5.346 1.00 0.09 C ATOM 1620 C LEU A 104 6.119 1.319 6.585 1.00 0.11 C ATOM 1621 O LEU A 104 6.132 2.433 7.087 1.00 0.13 O ATOM 1622 CB LEU A 104 6.004 0.730 4.179 1.00 0.09 C ATOM 1623 CG LEU A 104 6.665 0.413 2.839 1.00 0.09 C ATOM 1624 CD1 LEU A 104 5.765 -0.450 1.990 1.00 0.11 C ATOM 1625 CD2 LEU A 104 6.973 1.676 2.089 1.00 0.11 C ATOM 0 H LEU A 104 7.591 -0.933 5.045 1.00 0.08 H new ATOM 0 HA LEU A 104 7.555 1.901 5.120 1.00 0.09 H new ATOM 0 HB2 LEU A 104 5.371 -0.113 4.456 1.00 0.09 H new ATOM 0 HB3 LEU A 104 5.348 1.589 4.042 1.00 0.09 H new ATOM 0 HG LEU A 104 7.591 -0.123 3.047 1.00 0.09 H new ATOM 0 HD11 LEU A 104 6.256 -0.663 1.040 1.00 0.11 H new ATOM 0 HD12 LEU A 104 5.560 -1.385 2.511 1.00 0.11 H new ATOM 0 HD13 LEU A 104 4.828 0.074 1.804 1.00 0.11 H new ATOM 0 HD21 LEU A 104 7.443 1.429 1.137 1.00 0.11 H new ATOM 0 HD22 LEU A 104 6.049 2.225 1.905 1.00 0.11 H new ATOM 0 HD23 LEU A 104 7.650 2.293 2.679 1.00 0.11 H new ATOM 1637 N GLN A 105 5.381 0.324 7.057 1.00 0.12 N ATOM 1638 CA GLN A 105 4.518 0.494 8.234 1.00 0.18 C ATOM 1639 C GLN A 105 5.276 1.038 9.443 1.00 0.18 C ATOM 1640 O GLN A 105 4.682 1.694 10.297 1.00 0.22 O ATOM 1641 CB GLN A 105 3.814 -0.810 8.616 1.00 0.28 C ATOM 1642 CG GLN A 105 2.809 -1.267 7.581 1.00 0.39 C ATOM 1643 CD GLN A 105 1.868 -2.351 8.064 1.00 0.64 C ATOM 1644 OE1 GLN A 105 1.561 -2.445 9.246 1.00 1.45 O ATOM 1645 NE2 GLN A 105 1.383 -3.163 7.136 1.00 0.99 N ATOM 0 H GLN A 105 5.357 -0.611 6.649 1.00 0.12 H new ATOM 0 HA GLN A 105 3.768 1.230 7.945 1.00 0.18 H new ATOM 0 HB2 GLN A 105 4.561 -1.591 8.758 1.00 0.28 H new ATOM 0 HB3 GLN A 105 3.307 -0.676 9.572 1.00 0.28 H new ATOM 0 HG2 GLN A 105 2.220 -0.408 7.259 1.00 0.39 H new ATOM 0 HG3 GLN A 105 3.346 -1.632 6.706 1.00 0.39 H new ATOM 0 HE21 GLN A 105 1.665 -3.050 6.162 1.00 0.99 H new ATOM 0 HE22 GLN A 105 0.728 -3.901 7.396 1.00 0.99 H new ATOM 1654 N GLN A 106 6.585 0.801 9.505 1.00 0.17 N ATOM 1655 CA GLN A 106 7.393 1.327 10.590 1.00 0.20 C ATOM 1656 C GLN A 106 7.438 2.841 10.496 1.00 0.20 C ATOM 1657 O GLN A 106 7.533 3.548 11.496 1.00 0.36 O ATOM 1658 CB GLN A 106 8.796 0.756 10.522 1.00 0.25 C ATOM 1659 CG GLN A 106 8.982 -0.528 11.312 1.00 0.30 C ATOM 1660 CD GLN A 106 10.411 -1.029 11.272 1.00 0.38 C ATOM 1661 OE1 GLN A 106 11.225 -0.700 12.134 1.00 0.65 O ATOM 1662 NE2 GLN A 106 10.728 -1.824 10.264 1.00 0.47 N ATOM 0 H GLN A 106 7.101 0.251 8.818 1.00 0.17 H new ATOM 0 HA GLN A 106 6.949 1.039 11.543 1.00 0.20 H new ATOM 0 HB2 GLN A 106 9.050 0.568 9.479 1.00 0.25 H new ATOM 0 HB3 GLN A 106 9.499 1.503 10.892 1.00 0.25 H new ATOM 0 HG2 GLN A 106 8.688 -0.360 12.348 1.00 0.30 H new ATOM 0 HG3 GLN A 106 8.319 -1.296 10.913 1.00 0.30 H new ATOM 0 HE21 GLN A 106 10.023 -2.073 9.570 1.00 0.47 H new ATOM 0 HE22 GLN A 106 11.677 -2.188 10.181 1.00 0.47 H new ATOM 1671 N ILE A 107 7.342 3.307 9.268 1.00 0.13 N ATOM 1672 CA ILE A 107 7.315 4.717 8.947 1.00 0.13 C ATOM 1673 C ILE A 107 5.911 5.271 9.122 1.00 0.14 C ATOM 1674 O ILE A 107 5.711 6.348 9.673 1.00 0.17 O ATOM 1675 CB ILE A 107 7.711 4.924 7.471 1.00 0.13 C ATOM 1676 CG1 ILE A 107 9.066 4.280 7.160 1.00 0.13 C ATOM 1677 CG2 ILE A 107 7.703 6.400 7.122 1.00 0.16 C ATOM 1678 CD1 ILE A 107 9.286 3.996 5.688 1.00 0.14 C ATOM 0 H ILE A 107 7.279 2.703 8.449 1.00 0.13 H new ATOM 0 HA ILE A 107 8.011 5.228 9.612 1.00 0.13 H new ATOM 0 HB ILE A 107 6.970 4.425 6.847 1.00 0.13 H new ATOM 0 HG12 ILE A 107 9.860 4.937 7.516 1.00 0.13 H new ATOM 0 HG13 ILE A 107 9.150 3.347 7.717 1.00 0.13 H new ATOM 0 HG21 ILE A 107 7.985 6.528 6.077 1.00 0.16 H new ATOM 0 HG22 ILE A 107 6.704 6.806 7.281 1.00 0.16 H new ATOM 0 HG23 ILE A 107 8.415 6.928 7.757 1.00 0.16 H new ATOM 0 HD11 ILE A 107 10.266 3.541 5.548 1.00 0.14 H new ATOM 0 HD12 ILE A 107 8.515 3.314 5.330 1.00 0.14 H new ATOM 0 HD13 ILE A 107 9.235 4.929 5.126 1.00 0.14 H new ATOM 1690 N ILE A 108 4.940 4.525 8.634 1.00 0.13 N ATOM 1691 CA ILE A 108 3.560 4.980 8.636 1.00 0.17 C ATOM 1692 C ILE A 108 3.029 5.086 10.055 1.00 0.23 C ATOM 1693 O ILE A 108 2.525 6.129 10.455 1.00 0.29 O ATOM 1694 CB ILE A 108 2.676 4.035 7.810 1.00 0.19 C ATOM 1695 CG1 ILE A 108 3.457 3.605 6.571 1.00 0.18 C ATOM 1696 CG2 ILE A 108 1.368 4.719 7.431 1.00 0.26 C ATOM 1697 CD1 ILE A 108 2.607 3.156 5.415 1.00 0.15 C ATOM 0 H ILE A 108 5.079 3.599 8.230 1.00 0.13 H new ATOM 0 HA ILE A 108 3.532 5.970 8.181 1.00 0.17 H new ATOM 0 HB ILE A 108 2.418 3.154 8.398 1.00 0.19 H new ATOM 0 HG12 ILE A 108 4.080 4.438 6.244 1.00 0.18 H new ATOM 0 HG13 ILE A 108 4.130 2.793 6.846 1.00 0.18 H new ATOM 0 HG21 ILE A 108 0.755 4.033 6.846 1.00 0.26 H new ATOM 0 HG22 ILE A 108 0.831 5.004 8.336 1.00 0.26 H new ATOM 0 HG23 ILE A 108 1.581 5.610 6.840 1.00 0.26 H new ATOM 0 HD11 ILE A 108 3.248 2.870 4.581 1.00 0.15 H new ATOM 0 HD12 ILE A 108 2.003 2.301 5.718 1.00 0.15 H new ATOM 0 HD13 ILE A 108 1.953 3.971 5.106 1.00 0.15 H new ATOM 1709 N SER A 109 3.187 4.019 10.825 1.00 0.28 N ATOM 1710 CA SER A 109 2.760 3.999 12.219 1.00 0.37 C ATOM 1711 C SER A 109 3.527 5.063 12.998 1.00 0.37 C ATOM 1712 O SER A 109 3.076 5.554 14.031 1.00 0.43 O ATOM 1713 CB SER A 109 2.997 2.610 12.823 1.00 0.45 C ATOM 1714 OG SER A 109 2.341 2.464 14.074 1.00 1.22 O ATOM 0 H SER A 109 3.611 3.148 10.505 1.00 0.28 H new ATOM 0 HA SER A 109 1.694 4.218 12.277 1.00 0.37 H new ATOM 0 HB2 SER A 109 2.639 1.847 12.132 1.00 0.45 H new ATOM 0 HB3 SER A 109 4.067 2.446 12.952 1.00 0.45 H new ATOM 0 HG SER A 109 2.512 1.567 14.430 1.00 1.22 H new ATOM 1720 N ARG A 110 4.673 5.432 12.450 1.00 0.33 N ATOM 1721 CA ARG A 110 5.516 6.468 12.996 1.00 0.35 C ATOM 1722 C ARG A 110 4.890 7.837 12.755 1.00 0.38 C ATOM 1723 O ARG A 110 4.921 8.713 13.620 1.00 0.48 O ATOM 1724 CB ARG A 110 6.883 6.373 12.318 1.00 0.34 C ATOM 1725 CG ARG A 110 7.566 7.687 12.097 1.00 1.27 C ATOM 1726 CD ARG A 110 8.877 7.463 11.388 1.00 1.25 C ATOM 1727 NE ARG A 110 9.602 8.698 11.123 1.00 2.39 N ATOM 1728 CZ ARG A 110 10.649 8.763 10.310 1.00 2.70 C ATOM 1729 NH1 ARG A 110 11.071 7.662 9.706 1.00 1.97 N ATOM 1730 NH2 ARG A 110 11.268 9.919 10.101 1.00 3.79 N ATOM 0 H ARG A 110 5.045 5.009 11.599 1.00 0.33 H new ATOM 0 HA ARG A 110 5.627 6.338 14.073 1.00 0.35 H new ATOM 0 HB2 ARG A 110 7.531 5.740 12.925 1.00 0.34 H new ATOM 0 HB3 ARG A 110 6.762 5.876 11.356 1.00 0.34 H new ATOM 0 HG2 ARG A 110 6.929 8.344 11.505 1.00 1.27 H new ATOM 0 HG3 ARG A 110 7.738 8.184 13.052 1.00 1.27 H new ATOM 0 HD2 ARG A 110 9.502 6.804 11.992 1.00 1.25 H new ATOM 0 HD3 ARG A 110 8.690 6.949 10.445 1.00 1.25 H new ATOM 0 HE ARG A 110 9.291 9.553 11.584 1.00 2.39 H new ATOM 0 HH11 ARG A 110 10.592 6.776 9.868 1.00 1.97 H new ATOM 0 HH12 ARG A 110 11.875 7.700 9.079 1.00 1.97 H new ATOM 0 HH21 ARG A 110 10.939 10.765 10.567 1.00 3.79 H new ATOM 0 HH22 ARG A 110 12.072 9.961 9.475 1.00 3.79 H new ATOM 1744 N TYR A 111 4.298 8.003 11.582 1.00 0.34 N ATOM 1745 CA TYR A 111 3.729 9.277 11.193 1.00 0.41 C ATOM 1746 C TYR A 111 2.299 9.412 11.680 1.00 0.49 C ATOM 1747 O TYR A 111 1.831 10.512 11.939 1.00 0.60 O ATOM 1748 CB TYR A 111 3.808 9.464 9.681 1.00 0.37 C ATOM 1749 CG TYR A 111 5.115 10.072 9.241 1.00 0.38 C ATOM 1750 CD1 TYR A 111 5.313 11.445 9.285 1.00 0.48 C ATOM 1751 CD2 TYR A 111 6.154 9.274 8.796 1.00 0.34 C ATOM 1752 CE1 TYR A 111 6.514 12.004 8.895 1.00 0.53 C ATOM 1753 CE2 TYR A 111 7.360 9.823 8.405 1.00 0.40 C ATOM 1754 CZ TYR A 111 7.535 11.187 8.456 1.00 0.48 C ATOM 1755 OH TYR A 111 8.733 11.739 8.067 1.00 0.55 O ATOM 0 H TYR A 111 4.201 7.266 10.883 1.00 0.34 H new ATOM 0 HA TYR A 111 4.316 10.064 11.666 1.00 0.41 H new ATOM 0 HB2 TYR A 111 3.677 8.499 9.192 1.00 0.37 H new ATOM 0 HB3 TYR A 111 2.986 10.101 9.354 1.00 0.37 H new ATOM 0 HD1 TYR A 111 4.515 12.086 9.630 1.00 0.48 H new ATOM 0 HD2 TYR A 111 6.020 8.203 8.754 1.00 0.34 H new ATOM 0 HE1 TYR A 111 6.653 13.074 8.933 1.00 0.53 H new ATOM 0 HE2 TYR A 111 8.161 9.185 8.061 1.00 0.40 H new ATOM 0 HH TYR A 111 9.345 11.027 7.786 1.00 0.55 H new ATOM 2059 N PHE B 261 -5.395 -8.551 2.793 1.00 0.48 N ATOM 2060 CA PHE B 261 -4.132 -8.264 3.448 1.00 0.48 C ATOM 2061 C PHE B 261 -4.375 -8.020 4.932 1.00 0.66 C ATOM 2062 O PHE B 261 -5.513 -8.087 5.395 1.00 0.95 O ATOM 2063 CB PHE B 261 -3.480 -7.018 2.839 1.00 0.50 C ATOM 2064 CG PHE B 261 -3.325 -7.044 1.344 1.00 0.46 C ATOM 2065 CD1 PHE B 261 -3.070 -8.223 0.669 1.00 0.44 C ATOM 2066 CD2 PHE B 261 -3.442 -5.877 0.614 1.00 0.67 C ATOM 2067 CE1 PHE B 261 -2.936 -8.234 -0.704 1.00 0.51 C ATOM 2068 CE2 PHE B 261 -3.308 -5.879 -0.756 1.00 0.75 C ATOM 2069 CZ PHE B 261 -3.056 -7.061 -1.418 1.00 0.62 C ATOM 0 HA PHE B 261 -3.467 -9.117 3.310 1.00 0.48 H new ATOM 0 HB2 PHE B 261 -4.075 -6.146 3.112 1.00 0.50 H new ATOM 0 HB3 PHE B 261 -2.496 -6.886 3.288 1.00 0.50 H new ATOM 0 HD1 PHE B 261 -2.975 -9.146 1.222 1.00 0.44 H new ATOM 0 HD2 PHE B 261 -3.642 -4.948 1.127 1.00 0.67 H new ATOM 0 HE1 PHE B 261 -2.737 -9.162 -1.220 1.00 0.51 H new ATOM 0 HE2 PHE B 261 -3.400 -4.957 -1.310 1.00 0.75 H new ATOM 0 HZ PHE B 261 -2.953 -7.068 -2.493 1.00 0.62 H new ATOM 2079 N VAL B 262 -3.315 -7.745 5.673 1.00 0.55 N ATOM 2080 CA VAL B 262 -3.441 -7.382 7.075 1.00 0.67 C ATOM 2081 C VAL B 262 -2.445 -6.278 7.426 1.00 0.54 C ATOM 2082 O VAL B 262 -1.335 -6.232 6.886 1.00 0.50 O ATOM 2083 CB VAL B 262 -3.219 -8.603 8.002 1.00 0.84 C ATOM 2084 CG1 VAL B 262 -1.763 -9.047 7.990 1.00 1.37 C ATOM 2085 CG2 VAL B 262 -3.676 -8.297 9.420 1.00 1.14 C ATOM 0 H VAL B 262 -2.356 -7.766 5.327 1.00 0.55 H new ATOM 0 HA VAL B 262 -4.457 -7.019 7.232 1.00 0.67 H new ATOM 0 HB VAL B 262 -3.823 -9.425 7.618 1.00 0.84 H new ATOM 0 HG11 VAL B 262 -1.639 -9.906 8.650 1.00 1.37 H new ATOM 0 HG12 VAL B 262 -1.476 -9.324 6.976 1.00 1.37 H new ATOM 0 HG13 VAL B 262 -1.130 -8.229 8.336 1.00 1.37 H new ATOM 0 HG21 VAL B 262 -3.510 -9.169 10.052 1.00 1.14 H new ATOM 0 HG22 VAL B 262 -3.108 -7.452 9.811 1.00 1.14 H new ATOM 0 HG23 VAL B 262 -4.738 -8.049 9.415 1.00 1.14 H new ATOM 2095 N GLU B 263 -2.855 -5.371 8.298 1.00 0.57 N ATOM 2096 CA GLU B 263 -1.961 -4.338 8.790 1.00 0.55 C ATOM 2097 C GLU B 263 -1.254 -4.846 10.042 1.00 0.56 C ATOM 2098 O GLU B 263 -1.901 -5.208 11.028 1.00 0.62 O ATOM 2099 CB GLU B 263 -2.739 -3.058 9.102 1.00 0.73 C ATOM 2100 CG GLU B 263 -1.852 -1.841 9.303 1.00 1.21 C ATOM 2101 CD GLU B 263 -2.587 -0.675 9.926 1.00 1.73 C ATOM 2102 OE1 GLU B 263 -3.721 -0.869 10.413 1.00 2.24 O ATOM 2103 OE2 GLU B 263 -2.029 0.441 9.949 1.00 2.20 O ATOM 0 H GLU B 263 -3.800 -5.330 8.679 1.00 0.57 H new ATOM 0 HA GLU B 263 -1.222 -4.105 8.023 1.00 0.55 H new ATOM 0 HB2 GLU B 263 -3.436 -2.859 8.288 1.00 0.73 H new ATOM 0 HB3 GLU B 263 -3.335 -3.215 10.001 1.00 0.73 H new ATOM 0 HG2 GLU B 263 -1.008 -2.113 9.937 1.00 1.21 H new ATOM 0 HG3 GLU B 263 -1.442 -1.534 8.341 1.00 1.21 H new