USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 814 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 61 THR OG1 : rot 180:sc= 0.00778 USER MOD Set 1.2: A 62 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 57 ASN : amide:sc= 1.03 K(o=2.3,f=-2.4) USER MOD Set 2.2: A 90 THR OG1 : rot -58:sc= 1.24 USER MOD Set 3.1: A 32 LYS NZ :NH3+ 153:sc= 1.19 (180deg=0) USER MOD Set 3.2: A 35 ASN : amide:sc= 2.59 K(o=3.8,f=-10!) USER MOD Set 4.1: A 34 LYS NZ :NH3+ 153:sc= 1.08 (180deg=-1.2) USER MOD Set 4.2: A 70 ASN : amide:sc= 0.424 K(o=1.5,f=-9.4!) USER MOD Single : A 6 THR OG1 : rot 84:sc= 1.26 USER MOD Single : A 8 GLN : amide:sc= -5.28! C(o=-5.3!,f=-5.2!) USER MOD Single : A 9 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0244) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HE2:sc= 1.14 K(o=1.1,f=-3.7!) USER MOD Single : A 13 THR OG1 : rot 130:sc= 0 USER MOD Single : A 14 ASN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 15 THR OG1 : rot -121:sc= 0.0164 USER MOD Single : A 22 ASN : amide:sc= -0.115 K(o=-0.11,f=-1.4!) USER MOD Single : A 25 SER OG : rot -35:sc= 0.413 USER MOD Single : A 26 THR OG1 : rot -93:sc= 1.09 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.321 X(o=-0.32,f=-0.6) USER MOD Single : A 36 THR OG1 : rot -83:sc= 1.27 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.0269 USER MOD Single : A 46 LYS NZ :NH3+ 153:sc= 0.0115 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 44:sc= 0.305 USER MOD Single : A 56 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.114) USER MOD Single : A 60 THR OG1 : rot 105:sc= 0.629 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -147:sc= 1.2 USER MOD Single : A 72 THR OG1 : rot -53:sc= 0.384 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0151 USER MOD Single : A 77 LYS NZ :NH3+ 166:sc= -0.155! (180deg=-0.542) USER MOD Single : A 78 TYR OH : rot -15:sc= -2.5! USER MOD Single : A 79 LYS NZ :NH3+ -162:sc= -0.105 (180deg=-0.552) USER MOD Single : A 81 LYS NZ :NH3+ -166:sc= 1.2 (180deg=1.17) USER MOD Single : A 82 LYS NZ :NH3+ -135:sc= 0.908 (180deg=-0.28) USER MOD Single : A 83 SER OG : rot -140:sc= -1.15 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -1.51! C(o=-1.5!,f=-9.8!) USER MOD Single : A 86 LYS NZ :NH3+ -166:sc= 2.41 (180deg=1.85) USER MOD Single : A 93 ASN :FLIP amide:sc= -0.543 F(o=-1.9,f=-0.54) USER MOD Single : A 94 GLN : amide:sc= -1.87! C(o=-1.9!,f=-3.5!) USER MOD Single : A 98 HIS :FLIP no HD1:sc= -0.569 F(o=-2.3!,f=-0.57) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 -5.320 11.096 0.304 1.00 0.48 N ATOM 38 CA ASP A 3 -6.480 10.725 -0.493 1.00 0.44 C ATOM 39 C ASP A 3 -6.180 9.491 -1.338 1.00 0.32 C ATOM 40 O ASP A 3 -5.071 8.959 -1.301 1.00 0.32 O ATOM 41 CB ASP A 3 -6.884 11.885 -1.406 1.00 0.55 C ATOM 42 CG ASP A 3 -6.063 11.931 -2.679 1.00 1.30 C ATOM 43 OD1 ASP A 3 -4.862 12.250 -2.589 1.00 1.67 O ATOM 44 OD2 ASP A 3 -6.616 11.674 -3.769 1.00 1.97 O ATOM 0 HA ASP A 3 -7.301 10.496 0.186 1.00 0.44 H new ATOM 0 HB2 ASP A 3 -7.940 11.793 -1.661 1.00 0.55 H new ATOM 0 HB3 ASP A 3 -6.767 12.825 -0.867 1.00 0.55 H new ATOM 49 N TRP A 4 -7.169 9.065 -2.120 1.00 0.32 N ATOM 50 CA TRP A 4 -7.059 7.858 -2.931 1.00 0.27 C ATOM 51 C TRP A 4 -5.946 7.960 -3.980 1.00 0.24 C ATOM 52 O TRP A 4 -5.203 7.002 -4.198 1.00 0.25 O ATOM 53 CB TRP A 4 -8.399 7.568 -3.612 1.00 0.29 C ATOM 54 CG TRP A 4 -8.308 6.511 -4.667 1.00 0.28 C ATOM 55 CD1 TRP A 4 -8.511 6.674 -6.004 1.00 0.33 C ATOM 56 CD2 TRP A 4 -7.968 5.132 -4.475 1.00 0.23 C ATOM 57 NE1 TRP A 4 -8.325 5.483 -6.657 1.00 0.32 N ATOM 58 CE2 TRP A 4 -7.984 4.523 -5.741 1.00 0.25 C ATOM 59 CE3 TRP A 4 -7.647 4.357 -3.356 1.00 0.20 C ATOM 60 CZ2 TRP A 4 -7.697 3.174 -5.918 1.00 0.24 C ATOM 61 CZ3 TRP A 4 -7.361 3.017 -3.535 1.00 0.20 C ATOM 62 CH2 TRP A 4 -7.385 2.440 -4.807 1.00 0.22 C ATOM 0 H TRP A 4 -8.065 9.545 -2.208 1.00 0.32 H new ATOM 0 HA TRP A 4 -6.797 7.037 -2.263 1.00 0.27 H new ATOM 0 HB2 TRP A 4 -9.123 7.258 -2.858 1.00 0.29 H new ATOM 0 HB3 TRP A 4 -8.778 8.487 -4.059 1.00 0.29 H new ATOM 0 HD1 TRP A 4 -8.779 7.605 -6.480 1.00 0.33 H new ATOM 0 HE1 TRP A 4 -8.424 5.336 -7.661 1.00 0.32 H new ATOM 0 HE3 TRP A 4 -7.623 4.798 -2.370 1.00 0.20 H new ATOM 0 HZ2 TRP A 4 -7.720 2.722 -6.898 1.00 0.24 H new ATOM 0 HZ3 TRP A 4 -7.115 2.407 -2.679 1.00 0.20 H new ATOM 0 HH2 TRP A 4 -7.152 1.391 -4.915 1.00 0.22 H new ATOM 73 N LEU A 5 -5.826 9.115 -4.622 1.00 0.28 N ATOM 74 CA LEU A 5 -4.833 9.296 -5.674 1.00 0.32 C ATOM 75 C LEU A 5 -3.423 9.154 -5.112 1.00 0.32 C ATOM 76 O LEU A 5 -2.533 8.604 -5.764 1.00 0.35 O ATOM 77 CB LEU A 5 -5.007 10.658 -6.357 1.00 0.42 C ATOM 78 CG LEU A 5 -6.195 10.773 -7.326 1.00 0.54 C ATOM 79 CD1 LEU A 5 -6.099 9.723 -8.421 1.00 0.75 C ATOM 80 CD2 LEU A 5 -7.526 10.657 -6.597 1.00 0.84 C ATOM 0 H LEU A 5 -6.400 9.937 -4.434 1.00 0.28 H new ATOM 0 HA LEU A 5 -4.984 8.518 -6.422 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -5.117 11.419 -5.585 1.00 0.42 H new ATOM 0 HB3 LEU A 5 -4.093 10.889 -6.904 1.00 0.42 H new ATOM 0 HG LEU A 5 -6.150 11.762 -7.783 1.00 0.54 H new ATOM 0 HD11 LEU A 5 -6.949 9.822 -9.096 1.00 0.75 H new ATOM 0 HD12 LEU A 5 -5.174 9.864 -8.980 1.00 0.75 H new ATOM 0 HD13 LEU A 5 -6.105 8.729 -7.974 1.00 0.75 H new ATOM 0 HD21 LEU A 5 -8.342 10.743 -7.314 1.00 0.84 H new ATOM 0 HD22 LEU A 5 -7.583 9.691 -6.096 1.00 0.84 H new ATOM 0 HD23 LEU A 5 -7.607 11.454 -5.858 1.00 0.84 H new ATOM 92 N THR A 6 -3.241 9.624 -3.890 1.00 0.34 N ATOM 93 CA THR A 6 -1.964 9.507 -3.212 1.00 0.40 C ATOM 94 C THR A 6 -1.790 8.101 -2.638 1.00 0.35 C ATOM 95 O THR A 6 -0.671 7.591 -2.521 1.00 0.37 O ATOM 96 CB THR A 6 -1.856 10.542 -2.082 1.00 0.52 C ATOM 97 OG1 THR A 6 -2.208 11.838 -2.581 1.00 0.59 O ATOM 98 CG2 THR A 6 -0.446 10.576 -1.520 1.00 0.61 C ATOM 0 H THR A 6 -3.966 10.092 -3.346 1.00 0.34 H new ATOM 0 HA THR A 6 -1.176 9.694 -3.941 1.00 0.40 H new ATOM 0 HB THR A 6 -2.542 10.259 -1.283 1.00 0.52 H new ATOM 0 HG1 THR A 6 -3.183 11.941 -2.566 1.00 0.59 H new ATOM 0 HG21 THR A 6 -0.391 11.315 -0.721 1.00 0.61 H new ATOM 0 HG22 THR A 6 -0.188 9.594 -1.124 1.00 0.61 H new ATOM 0 HG23 THR A 6 0.255 10.843 -2.311 1.00 0.61 H new ATOM 106 N PHE A 7 -2.913 7.477 -2.296 1.00 0.29 N ATOM 107 CA PHE A 7 -2.917 6.136 -1.734 1.00 0.26 C ATOM 108 C PHE A 7 -2.347 5.140 -2.733 1.00 0.23 C ATOM 109 O PHE A 7 -1.525 4.301 -2.376 1.00 0.24 O ATOM 110 CB PHE A 7 -4.340 5.728 -1.329 1.00 0.24 C ATOM 111 CG PHE A 7 -4.428 4.395 -0.640 1.00 0.24 C ATOM 112 CD1 PHE A 7 -4.518 3.222 -1.376 1.00 0.22 C ATOM 113 CD2 PHE A 7 -4.429 4.318 0.743 1.00 0.28 C ATOM 114 CE1 PHE A 7 -4.604 1.997 -0.741 1.00 0.23 C ATOM 115 CE2 PHE A 7 -4.516 3.096 1.383 1.00 0.29 C ATOM 116 CZ PHE A 7 -4.604 1.934 0.639 1.00 0.27 C ATOM 0 H PHE A 7 -3.841 7.887 -2.401 1.00 0.29 H new ATOM 0 HA PHE A 7 -2.289 6.134 -0.843 1.00 0.26 H new ATOM 0 HB2 PHE A 7 -4.751 6.493 -0.670 1.00 0.24 H new ATOM 0 HB3 PHE A 7 -4.967 5.705 -2.221 1.00 0.24 H new ATOM 0 HD1 PHE A 7 -4.521 3.266 -2.455 1.00 0.22 H new ATOM 0 HD2 PHE A 7 -4.361 5.223 1.328 1.00 0.28 H new ATOM 0 HE1 PHE A 7 -4.671 1.090 -1.323 1.00 0.23 H new ATOM 0 HE2 PHE A 7 -4.515 3.049 2.462 1.00 0.29 H new ATOM 0 HZ PHE A 7 -4.673 0.978 1.136 1.00 0.27 H new ATOM 126 N GLN A 8 -2.786 5.240 -3.983 1.00 0.23 N ATOM 127 CA GLN A 8 -2.282 4.395 -5.051 1.00 0.24 C ATOM 128 C GLN A 8 -0.780 4.561 -5.204 1.00 0.24 C ATOM 129 O GLN A 8 -0.041 3.583 -5.227 1.00 0.25 O ATOM 130 CB GLN A 8 -2.940 4.783 -6.354 1.00 0.27 C ATOM 131 CG GLN A 8 -4.454 4.723 -6.336 1.00 0.27 C ATOM 132 CD GLN A 8 -5.061 5.263 -7.617 1.00 0.32 C ATOM 133 OE1 GLN A 8 -5.287 4.527 -8.576 1.00 0.61 O ATOM 134 NE2 GLN A 8 -5.334 6.555 -7.640 1.00 0.45 N ATOM 0 H GLN A 8 -3.498 5.907 -4.280 1.00 0.23 H new ATOM 0 HA GLN A 8 -2.507 3.358 -4.802 1.00 0.24 H new ATOM 0 HB2 GLN A 8 -2.632 5.796 -6.614 1.00 0.27 H new ATOM 0 HB3 GLN A 8 -2.572 4.126 -7.142 1.00 0.27 H new ATOM 0 HG2 GLN A 8 -4.774 3.691 -6.190 1.00 0.27 H new ATOM 0 HG3 GLN A 8 -4.829 5.296 -5.488 1.00 0.27 H new ATOM 0 HE21 GLN A 8 -5.132 7.133 -6.825 1.00 0.45 H new ATOM 0 HE22 GLN A 8 -5.747 6.974 -8.473 1.00 0.45 H new ATOM 143 N LYS A 9 -0.344 5.810 -5.304 1.00 0.26 N ATOM 144 CA LYS A 9 1.069 6.131 -5.451 1.00 0.29 C ATOM 145 C LYS A 9 1.907 5.476 -4.352 1.00 0.29 C ATOM 146 O LYS A 9 3.017 5.009 -4.600 1.00 0.33 O ATOM 147 CB LYS A 9 1.248 7.649 -5.410 1.00 0.32 C ATOM 148 CG LYS A 9 0.819 8.368 -6.681 1.00 0.33 C ATOM 149 CD LYS A 9 0.689 9.862 -6.435 1.00 0.67 C ATOM 150 CE LYS A 9 0.807 10.664 -7.725 1.00 1.20 C ATOM 151 NZ LYS A 9 -0.183 10.245 -8.752 1.00 1.88 N ATOM 0 H LYS A 9 -0.957 6.625 -5.286 1.00 0.26 H new ATOM 0 HA LYS A 9 1.414 5.742 -6.409 1.00 0.29 H new ATOM 0 HB2 LYS A 9 0.677 8.047 -4.571 1.00 0.32 H new ATOM 0 HB3 LYS A 9 2.297 7.874 -5.217 1.00 0.32 H new ATOM 0 HG2 LYS A 9 1.548 8.187 -7.471 1.00 0.33 H new ATOM 0 HG3 LYS A 9 -0.134 7.967 -7.028 1.00 0.33 H new ATOM 0 HD2 LYS A 9 -0.272 10.070 -5.965 1.00 0.67 H new ATOM 0 HD3 LYS A 9 1.461 10.183 -5.736 1.00 0.67 H new ATOM 0 HE2 LYS A 9 0.670 11.723 -7.504 1.00 1.20 H new ATOM 0 HE3 LYS A 9 1.813 10.550 -8.128 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 -0.152 10.906 -9.554 1.00 1.88 H new ATOM 0 HZ2 LYS A 9 0.046 9.287 -9.084 1.00 1.88 H new ATOM 0 HZ3 LYS A 9 -1.137 10.249 -8.337 1.00 1.88 H new ATOM 165 N LYS A 10 1.368 5.441 -3.138 1.00 0.28 N ATOM 166 CA LYS A 10 2.100 4.892 -2.003 1.00 0.30 C ATOM 167 C LYS A 10 1.865 3.396 -1.793 1.00 0.26 C ATOM 168 O LYS A 10 2.669 2.739 -1.130 1.00 0.29 O ATOM 169 CB LYS A 10 1.749 5.626 -0.707 1.00 0.38 C ATOM 170 CG LYS A 10 2.397 6.995 -0.558 1.00 0.63 C ATOM 171 CD LYS A 10 2.283 7.488 0.879 1.00 0.73 C ATOM 172 CE LYS A 10 3.036 8.791 1.109 1.00 1.10 C ATOM 173 NZ LYS A 10 2.359 9.953 0.477 1.00 1.34 N ATOM 0 H LYS A 10 0.433 5.784 -2.916 1.00 0.28 H new ATOM 0 HA LYS A 10 3.152 5.037 -2.248 1.00 0.30 H new ATOM 0 HB2 LYS A 10 0.667 5.743 -0.653 1.00 0.38 H new ATOM 0 HB3 LYS A 10 2.045 5.005 0.138 1.00 0.38 H new ATOM 0 HG2 LYS A 10 3.446 6.940 -0.847 1.00 0.63 H new ATOM 0 HG3 LYS A 10 1.918 7.706 -1.231 1.00 0.63 H new ATOM 0 HD2 LYS A 10 1.232 7.631 1.129 1.00 0.73 H new ATOM 0 HD3 LYS A 10 2.670 6.724 1.554 1.00 0.73 H new ATOM 0 HE2 LYS A 10 3.132 8.968 2.180 1.00 1.10 H new ATOM 0 HE3 LYS A 10 4.046 8.700 0.709 1.00 1.10 H new ATOM 0 HZ1 LYS A 10 2.908 10.817 0.661 1.00 1.34 H new ATOM 0 HZ2 LYS A 10 2.290 9.798 -0.549 1.00 1.34 H new ATOM 0 HZ3 LYS A 10 1.405 10.058 0.877 1.00 1.34 H new ATOM 187 N HIS A 11 0.771 2.847 -2.313 1.00 0.25 N ATOM 188 CA HIS A 11 0.402 1.482 -1.933 1.00 0.24 C ATOM 189 C HIS A 11 0.050 0.577 -3.109 1.00 0.23 C ATOM 190 O HIS A 11 0.038 -0.633 -2.952 1.00 0.26 O ATOM 191 CB HIS A 11 -0.751 1.494 -0.923 1.00 0.26 C ATOM 192 CG HIS A 11 -0.358 2.041 0.417 1.00 0.28 C ATOM 193 ND1 HIS A 11 0.463 1.366 1.292 1.00 0.29 N ATOM 194 CD2 HIS A 11 -0.655 3.217 1.018 1.00 0.35 C ATOM 195 CE1 HIS A 11 0.651 2.098 2.372 1.00 0.34 C ATOM 196 NE2 HIS A 11 -0.014 3.230 2.233 1.00 0.37 N ATOM 0 H HIS A 11 0.143 3.303 -2.975 1.00 0.25 H new ATOM 0 HA HIS A 11 1.297 1.058 -1.478 1.00 0.24 H new ATOM 0 HB2 HIS A 11 -1.571 2.089 -1.325 1.00 0.26 H new ATOM 0 HB3 HIS A 11 -1.126 0.478 -0.798 1.00 0.26 H new ATOM 0 HD1 HIS A 11 0.864 0.442 1.130 1.00 0.29 H new ATOM 0 HD2 HIS A 11 -1.280 4.001 0.616 1.00 0.35 H new ATOM 0 HE1 HIS A 11 1.249 1.819 3.227 1.00 0.34 H new ATOM 205 N ILE A 12 -0.226 1.124 -4.275 1.00 0.23 N ATOM 206 CA ILE A 12 -0.547 0.283 -5.416 1.00 0.24 C ATOM 207 C ILE A 12 0.672 0.125 -6.329 1.00 0.23 C ATOM 208 O ILE A 12 1.176 1.103 -6.886 1.00 0.30 O ATOM 209 CB ILE A 12 -1.763 0.816 -6.220 1.00 0.28 C ATOM 210 CG1 ILE A 12 -3.074 0.362 -5.575 1.00 0.36 C ATOM 211 CG2 ILE A 12 -1.717 0.336 -7.666 1.00 0.28 C ATOM 212 CD1 ILE A 12 -3.510 1.153 -4.364 1.00 0.48 C ATOM 0 H ILE A 12 -0.236 2.127 -4.459 1.00 0.23 H new ATOM 0 HA ILE A 12 -0.826 -0.695 -5.023 1.00 0.24 H new ATOM 0 HB ILE A 12 -1.714 1.905 -6.210 1.00 0.28 H new ATOM 0 HG12 ILE A 12 -3.864 0.412 -6.324 1.00 0.36 H new ATOM 0 HG13 ILE A 12 -2.974 -0.685 -5.287 1.00 0.36 H new ATOM 0 HG21 ILE A 12 -2.581 0.724 -8.206 1.00 0.28 H new ATOM 0 HG22 ILE A 12 -0.802 0.694 -8.139 1.00 0.28 H new ATOM 0 HG23 ILE A 12 -1.735 -0.754 -7.688 1.00 0.28 H new ATOM 0 HD11 ILE A 12 -4.449 0.750 -3.985 1.00 0.48 H new ATOM 0 HD12 ILE A 12 -2.746 1.083 -3.590 1.00 0.48 H new ATOM 0 HD13 ILE A 12 -3.650 2.197 -4.643 1.00 0.48 H new ATOM 224 N THR A 13 1.150 -1.107 -6.459 1.00 0.20 N ATOM 225 CA THR A 13 2.278 -1.403 -7.326 1.00 0.21 C ATOM 226 C THR A 13 1.918 -2.547 -8.274 1.00 0.22 C ATOM 227 O THR A 13 1.041 -3.360 -7.975 1.00 0.24 O ATOM 228 CB THR A 13 3.551 -1.754 -6.513 1.00 0.21 C ATOM 229 OG1 THR A 13 4.698 -1.818 -7.373 1.00 0.30 O ATOM 230 CG2 THR A 13 3.397 -3.080 -5.783 1.00 0.21 C ATOM 0 H THR A 13 0.770 -1.918 -5.972 1.00 0.20 H new ATOM 0 HA THR A 13 2.500 -0.508 -7.907 1.00 0.21 H new ATOM 0 HB THR A 13 3.692 -0.964 -5.776 1.00 0.21 H new ATOM 0 HG1 THR A 13 5.421 -1.276 -6.994 1.00 0.30 H new ATOM 0 HG21 THR A 13 4.307 -3.295 -5.223 1.00 0.21 H new ATOM 0 HG22 THR A 13 2.554 -3.021 -5.095 1.00 0.21 H new ATOM 0 HG23 THR A 13 3.220 -3.875 -6.507 1.00 0.21 H new ATOM 238 N ASN A 14 2.584 -2.602 -9.415 1.00 0.28 N ATOM 239 CA ASN A 14 2.261 -3.582 -10.444 1.00 0.33 C ATOM 240 C ASN A 14 3.368 -4.624 -10.553 1.00 0.32 C ATOM 241 O ASN A 14 3.474 -5.339 -11.550 1.00 0.36 O ATOM 242 CB ASN A 14 2.063 -2.889 -11.795 1.00 0.46 C ATOM 243 CG ASN A 14 0.987 -1.816 -11.759 1.00 1.36 C ATOM 244 OD1 ASN A 14 -0.032 -2.010 -10.934 1.00 2.20 O flip ATOM 245 ND2 ASN A 14 1.073 -0.814 -12.471 1.00 2.08 N flip ATOM 0 H ASN A 14 3.355 -1.978 -9.655 1.00 0.28 H new ATOM 0 HA ASN A 14 1.334 -4.082 -10.163 1.00 0.33 H new ATOM 0 HB2 ASN A 14 3.006 -2.440 -12.109 1.00 0.46 H new ATOM 0 HB3 ASN A 14 1.800 -3.635 -12.545 1.00 0.46 H new ATOM 0 HD21 ASN A 14 1.872 -0.698 -13.094 1.00 2.08 H new ATOM 0 HD22 ASN A 14 0.345 -0.100 -12.437 1.00 2.08 H new ATOM 252 N THR A 15 4.186 -4.708 -9.517 1.00 0.33 N ATOM 253 CA THR A 15 5.293 -5.648 -9.492 1.00 0.36 C ATOM 254 C THR A 15 5.442 -6.255 -8.094 1.00 0.33 C ATOM 255 O THR A 15 5.166 -5.592 -7.093 1.00 0.36 O ATOM 256 CB THR A 15 6.610 -4.957 -9.925 1.00 0.42 C ATOM 257 OG1 THR A 15 7.711 -5.874 -9.865 1.00 0.48 O ATOM 258 CG2 THR A 15 6.909 -3.744 -9.055 1.00 0.43 C ATOM 0 H THR A 15 4.103 -4.133 -8.678 1.00 0.33 H new ATOM 0 HA THR A 15 5.080 -6.449 -10.200 1.00 0.36 H new ATOM 0 HB THR A 15 6.479 -4.624 -10.955 1.00 0.42 H new ATOM 0 HG1 THR A 15 8.390 -5.530 -9.248 1.00 0.48 H new ATOM 0 HG21 THR A 15 7.839 -3.281 -9.384 1.00 0.43 H new ATOM 0 HG22 THR A 15 6.095 -3.024 -9.142 1.00 0.43 H new ATOM 0 HG23 THR A 15 7.007 -4.057 -8.016 1.00 0.43 H new ATOM 266 N ARG A 16 5.852 -7.521 -8.031 1.00 0.32 N ATOM 267 CA ARG A 16 6.074 -8.189 -6.751 1.00 0.31 C ATOM 268 C ARG A 16 7.349 -7.683 -6.105 1.00 0.33 C ATOM 269 O ARG A 16 7.500 -7.734 -4.886 1.00 0.45 O ATOM 270 CB ARG A 16 6.147 -9.709 -6.915 1.00 0.36 C ATOM 271 CG ARG A 16 4.791 -10.363 -7.096 1.00 0.45 C ATOM 272 CD ARG A 16 3.918 -10.165 -5.867 1.00 0.38 C ATOM 273 NE ARG A 16 4.310 -11.019 -4.744 1.00 0.32 N ATOM 274 CZ ARG A 16 4.332 -10.612 -3.474 1.00 0.40 C ATOM 275 NH1 ARG A 16 4.176 -9.328 -3.180 1.00 0.49 N ATOM 276 NH2 ARG A 16 4.542 -11.482 -2.498 1.00 0.51 N ATOM 0 H ARG A 16 6.036 -8.102 -8.849 1.00 0.32 H new ATOM 0 HA ARG A 16 5.225 -7.956 -6.109 1.00 0.31 H new ATOM 0 HB2 ARG A 16 6.773 -9.944 -7.776 1.00 0.36 H new ATOM 0 HB3 ARG A 16 6.635 -10.138 -6.040 1.00 0.36 H new ATOM 0 HG2 ARG A 16 4.295 -9.941 -7.970 1.00 0.45 H new ATOM 0 HG3 ARG A 16 4.920 -11.429 -7.286 1.00 0.45 H new ATOM 0 HD2 ARG A 16 3.967 -9.121 -5.557 1.00 0.38 H new ATOM 0 HD3 ARG A 16 2.880 -10.371 -6.128 1.00 0.38 H new ATOM 0 HE ARG A 16 4.582 -11.981 -4.945 1.00 0.32 H new ATOM 0 HH11 ARG A 16 4.038 -8.647 -3.927 1.00 0.49 H new ATOM 0 HH12 ARG A 16 4.194 -9.022 -2.207 1.00 0.49 H new ATOM 0 HH21 ARG A 16 4.688 -12.468 -2.716 1.00 0.51 H new ATOM 0 HH22 ARG A 16 4.558 -11.166 -1.528 1.00 0.51 H new ATOM 290 N ASP A 17 8.264 -7.202 -6.927 1.00 0.37 N ATOM 291 CA ASP A 17 9.513 -6.655 -6.433 1.00 0.42 C ATOM 292 C ASP A 17 9.601 -5.179 -6.789 1.00 0.36 C ATOM 293 O ASP A 17 10.121 -4.814 -7.840 1.00 0.46 O ATOM 294 CB ASP A 17 10.706 -7.418 -7.020 1.00 0.60 C ATOM 295 CG ASP A 17 12.017 -7.070 -6.343 1.00 1.16 C ATOM 296 OD1 ASP A 17 12.353 -7.722 -5.332 1.00 1.94 O ATOM 297 OD2 ASP A 17 12.719 -6.154 -6.823 1.00 1.40 O ATOM 0 H ASP A 17 8.165 -7.179 -7.942 1.00 0.37 H new ATOM 0 HA ASP A 17 9.541 -6.763 -5.349 1.00 0.42 H new ATOM 0 HB2 ASP A 17 10.528 -8.489 -6.927 1.00 0.60 H new ATOM 0 HB3 ASP A 17 10.783 -7.199 -8.085 1.00 0.60 H new ATOM 302 N VAL A 18 9.036 -4.337 -5.936 1.00 0.31 N ATOM 303 CA VAL A 18 9.060 -2.900 -6.160 1.00 0.29 C ATOM 304 C VAL A 18 10.433 -2.329 -5.807 1.00 0.29 C ATOM 305 O VAL A 18 11.060 -2.748 -4.831 1.00 0.35 O ATOM 306 CB VAL A 18 7.934 -2.176 -5.364 1.00 0.36 C ATOM 307 CG1 VAL A 18 7.855 -2.664 -3.923 1.00 0.53 C ATOM 308 CG2 VAL A 18 8.126 -0.667 -5.397 1.00 0.58 C ATOM 0 H VAL A 18 8.556 -4.624 -5.083 1.00 0.31 H new ATOM 0 HA VAL A 18 8.872 -2.723 -7.219 1.00 0.29 H new ATOM 0 HB VAL A 18 6.991 -2.420 -5.853 1.00 0.36 H new ATOM 0 HG11 VAL A 18 7.057 -2.134 -3.403 1.00 0.53 H new ATOM 0 HG12 VAL A 18 7.647 -3.734 -3.912 1.00 0.53 H new ATOM 0 HG13 VAL A 18 8.804 -2.474 -3.422 1.00 0.53 H new ATOM 0 HG21 VAL A 18 7.326 -0.186 -4.834 1.00 0.58 H new ATOM 0 HG22 VAL A 18 9.088 -0.413 -4.951 1.00 0.58 H new ATOM 0 HG23 VAL A 18 8.102 -0.320 -6.430 1.00 0.58 H new ATOM 318 N ASP A 19 10.918 -1.400 -6.629 1.00 0.34 N ATOM 319 CA ASP A 19 12.221 -0.791 -6.395 1.00 0.41 C ATOM 320 C ASP A 19 12.116 0.291 -5.331 1.00 0.39 C ATOM 321 O ASP A 19 12.005 1.481 -5.633 1.00 0.46 O ATOM 322 CB ASP A 19 12.812 -0.208 -7.679 1.00 0.58 C ATOM 323 CG ASP A 19 14.304 0.054 -7.552 1.00 1.11 C ATOM 324 OD1 ASP A 19 14.732 0.659 -6.546 1.00 1.91 O ATOM 325 OD2 ASP A 19 15.060 -0.377 -8.446 1.00 1.28 O ATOM 0 H ASP A 19 10.431 -1.056 -7.456 1.00 0.34 H new ATOM 0 HA ASP A 19 12.892 -1.576 -6.045 1.00 0.41 H new ATOM 0 HB2 ASP A 19 12.634 -0.896 -8.505 1.00 0.58 H new ATOM 0 HB3 ASP A 19 12.300 0.723 -7.924 1.00 0.58 H new ATOM 330 N CYS A 20 12.099 -0.157 -4.090 1.00 0.38 N ATOM 331 CA CYS A 20 12.027 0.713 -2.930 1.00 0.40 C ATOM 332 C CYS A 20 13.095 1.795 -2.963 1.00 0.38 C ATOM 333 O CYS A 20 12.812 2.968 -2.736 1.00 0.39 O ATOM 334 CB CYS A 20 12.213 -0.122 -1.676 1.00 0.51 C ATOM 335 SG CYS A 20 11.321 -1.704 -1.722 1.00 0.93 S ATOM 0 H CYS A 20 12.135 -1.149 -3.855 1.00 0.38 H new ATOM 0 HA CYS A 20 11.052 1.201 -2.936 1.00 0.40 H new ATOM 0 HB2 CYS A 20 13.276 -0.317 -1.533 1.00 0.51 H new ATOM 0 HB3 CYS A 20 11.875 0.452 -0.813 1.00 0.51 H new ATOM 340 N ASP A 21 14.320 1.376 -3.255 1.00 0.47 N ATOM 341 CA ASP A 21 15.495 2.241 -3.169 1.00 0.59 C ATOM 342 C ASP A 21 15.351 3.478 -4.055 1.00 0.53 C ATOM 343 O ASP A 21 15.844 4.559 -3.723 1.00 0.64 O ATOM 344 CB ASP A 21 16.738 1.445 -3.572 1.00 0.85 C ATOM 345 CG ASP A 21 18.025 2.075 -3.090 1.00 1.36 C ATOM 346 OD1 ASP A 21 18.471 1.756 -1.966 1.00 2.26 O ATOM 347 OD2 ASP A 21 18.582 2.922 -3.820 1.00 1.66 O ATOM 0 H ASP A 21 14.529 0.425 -3.559 1.00 0.47 H new ATOM 0 HA ASP A 21 15.593 2.586 -2.140 1.00 0.59 H new ATOM 0 HB2 ASP A 21 16.662 0.435 -3.170 1.00 0.85 H new ATOM 0 HB3 ASP A 21 16.769 1.355 -4.658 1.00 0.85 H new ATOM 352 N ASN A 22 14.667 3.316 -5.179 1.00 0.50 N ATOM 353 CA ASN A 22 14.453 4.418 -6.111 1.00 0.49 C ATOM 354 C ASN A 22 13.121 5.109 -5.838 1.00 0.42 C ATOM 355 O ASN A 22 13.062 6.329 -5.686 1.00 0.43 O ATOM 356 CB ASN A 22 14.489 3.894 -7.551 1.00 0.59 C ATOM 357 CG ASN A 22 14.671 4.990 -8.591 1.00 0.69 C ATOM 358 OD1 ASN A 22 14.299 6.142 -8.377 1.00 1.07 O ATOM 359 ND2 ASN A 22 15.240 4.630 -9.734 1.00 1.14 N ATOM 0 H ASN A 22 14.250 2.432 -5.469 1.00 0.50 H new ATOM 0 HA ASN A 22 15.250 5.148 -5.973 1.00 0.49 H new ATOM 0 HB2 ASN A 22 15.302 3.174 -7.647 1.00 0.59 H new ATOM 0 HB3 ASN A 22 13.563 3.358 -7.758 1.00 0.59 H new ATOM 0 HD21 ASN A 22 15.382 5.319 -10.472 1.00 1.14 H new ATOM 0 HD22 ASN A 22 15.536 3.664 -9.874 1.00 1.14 H new ATOM 366 N ILE A 23 12.060 4.318 -5.754 1.00 0.40 N ATOM 367 CA ILE A 23 10.710 4.851 -5.610 1.00 0.38 C ATOM 368 C ILE A 23 10.538 5.617 -4.297 1.00 0.33 C ATOM 369 O ILE A 23 9.907 6.673 -4.268 1.00 0.34 O ATOM 370 CB ILE A 23 9.655 3.725 -5.729 1.00 0.39 C ATOM 371 CG1 ILE A 23 9.678 3.163 -7.155 1.00 0.45 C ATOM 372 CG2 ILE A 23 8.262 4.228 -5.368 1.00 0.40 C ATOM 373 CD1 ILE A 23 8.673 2.057 -7.396 1.00 0.48 C ATOM 0 H ILE A 23 12.108 3.300 -5.783 1.00 0.40 H new ATOM 0 HA ILE A 23 10.553 5.558 -6.425 1.00 0.38 H new ATOM 0 HB ILE A 23 9.904 2.933 -5.022 1.00 0.39 H new ATOM 0 HG12 ILE A 23 9.486 3.974 -7.858 1.00 0.45 H new ATOM 0 HG13 ILE A 23 10.678 2.785 -7.370 1.00 0.45 H new ATOM 0 HG21 ILE A 23 7.545 3.412 -5.462 1.00 0.40 H new ATOM 0 HG22 ILE A 23 8.262 4.594 -4.341 1.00 0.40 H new ATOM 0 HG23 ILE A 23 7.981 5.037 -6.042 1.00 0.40 H new ATOM 0 HD11 ILE A 23 8.751 1.713 -8.427 1.00 0.48 H new ATOM 0 HD12 ILE A 23 8.876 1.227 -6.720 1.00 0.48 H new ATOM 0 HD13 ILE A 23 7.666 2.434 -7.215 1.00 0.48 H new ATOM 385 N LEU A 24 11.131 5.114 -3.221 1.00 0.30 N ATOM 386 CA LEU A 24 11.021 5.769 -1.920 1.00 0.29 C ATOM 387 C LEU A 24 11.939 6.981 -1.824 1.00 0.32 C ATOM 388 O LEU A 24 11.892 7.720 -0.841 1.00 0.33 O ATOM 389 CB LEU A 24 11.329 4.792 -0.780 1.00 0.31 C ATOM 390 CG LEU A 24 10.131 4.000 -0.247 1.00 0.38 C ATOM 391 CD1 LEU A 24 9.428 3.258 -1.360 1.00 1.03 C ATOM 392 CD2 LEU A 24 10.561 3.030 0.839 1.00 1.01 C ATOM 0 H LEU A 24 11.690 4.261 -3.221 1.00 0.30 H new ATOM 0 HA LEU A 24 9.990 6.109 -1.822 1.00 0.29 H new ATOM 0 HB2 LEU A 24 12.085 4.086 -1.124 1.00 0.31 H new ATOM 0 HB3 LEU A 24 11.768 5.352 0.046 1.00 0.31 H new ATOM 0 HG LEU A 24 9.431 4.715 0.184 1.00 0.38 H new ATOM 0 HD11 LEU A 24 8.582 2.705 -0.951 1.00 1.03 H new ATOM 0 HD12 LEU A 24 9.071 3.971 -2.103 1.00 1.03 H new ATOM 0 HD13 LEU A 24 10.123 2.562 -1.829 1.00 1.03 H new ATOM 0 HD21 LEU A 24 9.692 2.480 1.201 1.00 1.01 H new ATOM 0 HD22 LEU A 24 11.291 2.329 0.433 1.00 1.01 H new ATOM 0 HD23 LEU A 24 11.009 3.583 1.664 1.00 1.01 H new ATOM 404 N SER A 25 12.763 7.191 -2.843 1.00 0.36 N ATOM 405 CA SER A 25 13.666 8.330 -2.859 1.00 0.41 C ATOM 406 C SER A 25 12.976 9.550 -3.464 1.00 0.42 C ATOM 407 O SER A 25 13.560 10.634 -3.539 1.00 0.49 O ATOM 408 CB SER A 25 14.935 7.988 -3.644 1.00 0.50 C ATOM 409 OG SER A 25 15.880 9.045 -3.587 1.00 1.28 O ATOM 0 H SER A 25 12.823 6.589 -3.665 1.00 0.36 H new ATOM 0 HA SER A 25 13.945 8.568 -1.832 1.00 0.41 H new ATOM 0 HB2 SER A 25 15.380 7.078 -3.241 1.00 0.50 H new ATOM 0 HB3 SER A 25 14.678 7.784 -4.683 1.00 0.50 H new ATOM 0 HG SER A 25 15.410 9.905 -3.587 1.00 1.28 H new ATOM 415 N THR A 26 11.732 9.374 -3.890 1.00 0.41 N ATOM 416 CA THR A 26 10.962 10.471 -4.451 1.00 0.46 C ATOM 417 C THR A 26 10.386 11.343 -3.339 1.00 0.45 C ATOM 418 O THR A 26 10.406 10.964 -2.167 1.00 0.45 O ATOM 419 CB THR A 26 9.807 9.958 -5.332 1.00 0.49 C ATOM 420 OG1 THR A 26 8.929 9.134 -4.556 1.00 0.44 O ATOM 421 CG2 THR A 26 10.333 9.169 -6.520 1.00 0.56 C ATOM 0 H THR A 26 11.237 8.483 -3.857 1.00 0.41 H new ATOM 0 HA THR A 26 11.641 11.059 -5.069 1.00 0.46 H new ATOM 0 HB THR A 26 9.259 10.822 -5.709 1.00 0.49 H new ATOM 0 HG1 THR A 26 9.201 8.196 -4.640 1.00 0.44 H new ATOM 0 HG21 THR A 26 9.496 8.819 -7.124 1.00 0.56 H new ATOM 0 HG22 THR A 26 10.975 9.808 -7.126 1.00 0.56 H new ATOM 0 HG23 THR A 26 10.906 8.313 -6.163 1.00 0.56 H new ATOM 429 N ASN A 27 9.844 12.494 -3.715 1.00 0.49 N ATOM 430 CA ASN A 27 9.240 13.419 -2.757 1.00 0.52 C ATOM 431 C ASN A 27 7.980 12.802 -2.153 1.00 0.52 C ATOM 432 O ASN A 27 7.485 13.238 -1.114 1.00 0.67 O ATOM 433 CB ASN A 27 8.908 14.739 -3.463 1.00 0.61 C ATOM 434 CG ASN A 27 8.468 15.836 -2.510 1.00 0.87 C ATOM 435 OD1 ASN A 27 9.301 16.555 -1.953 1.00 1.46 O ATOM 436 ND2 ASN A 27 7.163 16.002 -2.346 1.00 1.53 N ATOM 0 H ASN A 27 9.809 12.813 -4.683 1.00 0.49 H new ATOM 0 HA ASN A 27 9.945 13.616 -1.949 1.00 0.52 H new ATOM 0 HB2 ASN A 27 9.784 15.078 -4.016 1.00 0.61 H new ATOM 0 HB3 ASN A 27 8.118 14.564 -4.194 1.00 0.61 H new ATOM 0 HD21 ASN A 27 6.816 16.746 -1.741 1.00 1.53 H new ATOM 0 HD22 ASN A 27 6.506 15.386 -2.825 1.00 1.53 H new ATOM 443 N LEU A 28 7.495 11.758 -2.810 1.00 0.48 N ATOM 444 CA LEU A 28 6.288 11.060 -2.402 1.00 0.47 C ATOM 445 C LEU A 28 6.507 10.254 -1.117 1.00 0.45 C ATOM 446 O LEU A 28 5.554 9.941 -0.402 1.00 0.52 O ATOM 447 CB LEU A 28 5.849 10.132 -3.535 1.00 0.47 C ATOM 448 CG LEU A 28 4.598 9.303 -3.265 1.00 0.49 C ATOM 449 CD1 LEU A 28 3.374 10.199 -3.165 1.00 0.51 C ATOM 450 CD2 LEU A 28 4.422 8.263 -4.358 1.00 0.51 C ATOM 0 H LEU A 28 7.932 11.370 -3.646 1.00 0.48 H new ATOM 0 HA LEU A 28 5.512 11.797 -2.195 1.00 0.47 H new ATOM 0 HB2 LEU A 28 5.678 10.734 -4.427 1.00 0.47 H new ATOM 0 HB3 LEU A 28 6.671 9.453 -3.762 1.00 0.47 H new ATOM 0 HG LEU A 28 4.714 8.788 -2.311 1.00 0.49 H new ATOM 0 HD11 LEU A 28 2.491 9.589 -2.972 1.00 0.51 H new ATOM 0 HD12 LEU A 28 3.509 10.910 -2.350 1.00 0.51 H new ATOM 0 HD13 LEU A 28 3.243 10.741 -4.101 1.00 0.51 H new ATOM 0 HD21 LEU A 28 3.527 7.674 -4.159 1.00 0.51 H new ATOM 0 HD22 LEU A 28 4.322 8.762 -5.322 1.00 0.51 H new ATOM 0 HD23 LEU A 28 5.291 7.606 -4.378 1.00 0.51 H new ATOM 462 N PHE A 29 7.761 9.934 -0.820 1.00 0.42 N ATOM 463 CA PHE A 29 8.084 9.114 0.341 1.00 0.40 C ATOM 464 C PHE A 29 9.165 9.786 1.161 1.00 0.42 C ATOM 465 O PHE A 29 9.209 9.642 2.382 1.00 0.48 O ATOM 466 CB PHE A 29 8.565 7.719 -0.074 1.00 0.36 C ATOM 467 CG PHE A 29 7.543 6.893 -0.799 1.00 0.36 C ATOM 468 CD1 PHE A 29 6.577 6.190 -0.100 1.00 0.41 C ATOM 469 CD2 PHE A 29 7.563 6.808 -2.178 1.00 0.36 C ATOM 470 CE1 PHE A 29 5.646 5.419 -0.768 1.00 0.44 C ATOM 471 CE2 PHE A 29 6.639 6.037 -2.850 1.00 0.39 C ATOM 472 CZ PHE A 29 5.679 5.342 -2.146 1.00 0.42 C ATOM 0 H PHE A 29 8.570 10.230 -1.367 1.00 0.42 H new ATOM 0 HA PHE A 29 7.176 9.005 0.933 1.00 0.40 H new ATOM 0 HB2 PHE A 29 9.443 7.827 -0.711 1.00 0.36 H new ATOM 0 HB3 PHE A 29 8.882 7.179 0.818 1.00 0.36 H new ATOM 0 HD1 PHE A 29 6.551 6.245 0.978 1.00 0.41 H new ATOM 0 HD2 PHE A 29 8.311 7.352 -2.736 1.00 0.36 H new ATOM 0 HE1 PHE A 29 4.894 4.878 -0.214 1.00 0.44 H new ATOM 0 HE2 PHE A 29 6.667 5.977 -3.928 1.00 0.39 H new ATOM 0 HZ PHE A 29 4.954 4.738 -2.672 1.00 0.42 H new ATOM 482 N HIS A 30 10.030 10.517 0.456 1.00 0.43 N ATOM 483 CA HIS A 30 11.184 11.201 1.035 1.00 0.52 C ATOM 484 C HIS A 30 11.928 10.309 2.030 1.00 0.45 C ATOM 485 O HIS A 30 12.373 10.749 3.091 1.00 0.48 O ATOM 486 CB HIS A 30 10.800 12.569 1.631 1.00 0.70 C ATOM 487 CG HIS A 30 9.871 12.548 2.806 1.00 1.23 C ATOM 488 ND1 HIS A 30 10.307 12.539 4.111 1.00 1.78 N ATOM 489 CD2 HIS A 30 8.523 12.579 2.858 1.00 2.07 C ATOM 490 CE1 HIS A 30 9.262 12.561 4.920 1.00 2.74 C ATOM 491 NE2 HIS A 30 8.164 12.589 4.184 1.00 2.97 N ATOM 0 H HIS A 30 9.945 10.652 -0.552 1.00 0.43 H new ATOM 0 HA HIS A 30 11.883 11.408 0.224 1.00 0.52 H new ATOM 0 HB2 HIS A 30 11.715 13.081 1.929 1.00 0.70 H new ATOM 0 HB3 HIS A 30 10.342 13.168 0.844 1.00 0.70 H new ATOM 0 HD2 HIS A 30 7.850 12.593 2.013 1.00 2.07 H new ATOM 0 HE1 HIS A 30 9.299 12.557 5.999 1.00 2.74 H new ATOM 0 HE2 HIS A 30 7.209 12.614 4.541 1.00 2.97 H new ATOM 500 N CYS A 31 12.067 9.048 1.633 1.00 0.44 N ATOM 501 CA CYS A 31 12.825 8.048 2.374 1.00 0.45 C ATOM 502 C CYS A 31 12.277 7.814 3.784 1.00 0.40 C ATOM 503 O CYS A 31 12.841 8.281 4.775 1.00 0.47 O ATOM 504 CB CYS A 31 14.307 8.433 2.423 1.00 0.62 C ATOM 505 SG CYS A 31 15.015 8.835 0.788 1.00 1.10 S ATOM 0 H CYS A 31 11.650 8.688 0.775 1.00 0.44 H new ATOM 0 HA CYS A 31 12.718 7.104 1.839 1.00 0.45 H new ATOM 0 HB2 CYS A 31 14.429 9.292 3.083 1.00 0.62 H new ATOM 0 HB3 CYS A 31 14.873 7.611 2.862 1.00 0.62 H new ATOM 510 N LYS A 32 11.145 7.123 3.858 1.00 0.39 N ATOM 511 CA LYS A 32 10.601 6.663 5.130 1.00 0.43 C ATOM 512 C LYS A 32 11.365 5.427 5.605 1.00 0.45 C ATOM 513 O LYS A 32 12.260 4.946 4.912 1.00 0.55 O ATOM 514 CB LYS A 32 9.102 6.371 4.989 1.00 0.50 C ATOM 515 CG LYS A 32 8.767 5.185 4.095 1.00 0.53 C ATOM 516 CD LYS A 32 7.331 5.260 3.597 1.00 0.90 C ATOM 517 CE LYS A 32 6.328 5.159 4.737 1.00 2.05 C ATOM 518 NZ LYS A 32 4.925 5.270 4.255 1.00 2.72 N ATOM 0 H LYS A 32 10.583 6.868 3.046 1.00 0.39 H new ATOM 0 HA LYS A 32 10.721 7.446 5.879 1.00 0.43 H new ATOM 0 HB2 LYS A 32 8.686 6.191 5.980 1.00 0.50 H new ATOM 0 HB3 LYS A 32 8.608 7.258 4.593 1.00 0.50 H new ATOM 0 HG2 LYS A 32 9.449 5.163 3.245 1.00 0.53 H new ATOM 0 HG3 LYS A 32 8.915 4.257 4.647 1.00 0.53 H new ATOM 0 HD2 LYS A 32 7.181 6.198 3.063 1.00 0.90 H new ATOM 0 HD3 LYS A 32 7.152 4.456 2.884 1.00 0.90 H new ATOM 0 HE2 LYS A 32 6.460 4.208 5.253 1.00 2.05 H new ATOM 0 HE3 LYS A 32 6.525 5.947 5.464 1.00 2.05 H new ATOM 0 HZ1 LYS A 32 4.292 4.766 4.909 1.00 2.72 H new ATOM 0 HZ2 LYS A 32 4.651 6.272 4.212 1.00 2.72 H new ATOM 0 HZ3 LYS A 32 4.849 4.850 3.307 1.00 2.72 H new ATOM 532 N ASP A 33 11.027 4.924 6.784 1.00 0.49 N ATOM 533 CA ASP A 33 11.677 3.726 7.315 1.00 0.54 C ATOM 534 C ASP A 33 11.241 2.495 6.534 1.00 0.48 C ATOM 535 O ASP A 33 12.064 1.742 6.018 1.00 0.51 O ATOM 536 CB ASP A 33 11.351 3.532 8.798 1.00 0.66 C ATOM 537 CG ASP A 33 11.859 4.662 9.670 1.00 1.28 C ATOM 538 OD1 ASP A 33 13.030 4.612 10.100 1.00 1.57 O ATOM 539 OD2 ASP A 33 11.079 5.601 9.943 1.00 2.06 O ATOM 0 H ASP A 33 10.310 5.322 7.391 1.00 0.49 H new ATOM 0 HA ASP A 33 12.754 3.859 7.209 1.00 0.54 H new ATOM 0 HB2 ASP A 33 10.271 3.445 8.918 1.00 0.66 H new ATOM 0 HB3 ASP A 33 11.786 2.593 9.140 1.00 0.66 H new ATOM 544 N LYS A 34 9.934 2.292 6.463 1.00 0.44 N ATOM 545 CA LYS A 34 9.371 1.158 5.749 1.00 0.41 C ATOM 546 C LYS A 34 8.037 1.528 5.110 1.00 0.38 C ATOM 547 O LYS A 34 7.347 2.428 5.588 1.00 0.43 O ATOM 548 CB LYS A 34 9.199 -0.018 6.712 1.00 0.48 C ATOM 549 CG LYS A 34 8.477 0.376 7.984 1.00 0.95 C ATOM 550 CD LYS A 34 8.659 -0.646 9.093 1.00 1.27 C ATOM 551 CE LYS A 34 7.624 -1.770 9.047 1.00 1.96 C ATOM 552 NZ LYS A 34 7.749 -2.624 7.836 1.00 2.60 N ATOM 0 H LYS A 34 9.240 2.903 6.894 1.00 0.44 H new ATOM 0 HA LYS A 34 10.054 0.869 4.950 1.00 0.41 H new ATOM 0 HB2 LYS A 34 8.644 -0.813 6.214 1.00 0.48 H new ATOM 0 HB3 LYS A 34 10.179 -0.423 6.965 1.00 0.48 H new ATOM 0 HG2 LYS A 34 8.845 1.345 8.322 1.00 0.95 H new ATOM 0 HG3 LYS A 34 7.414 0.494 7.774 1.00 0.95 H new ATOM 0 HD2 LYS A 34 9.658 -1.077 9.022 1.00 1.27 H new ATOM 0 HD3 LYS A 34 8.597 -0.142 10.057 1.00 1.27 H new ATOM 0 HE2 LYS A 34 7.731 -2.392 9.936 1.00 1.96 H new ATOM 0 HE3 LYS A 34 6.624 -1.337 9.079 1.00 1.96 H new ATOM 0 HZ1 LYS A 34 7.386 -3.576 8.044 1.00 2.60 H new ATOM 0 HZ2 LYS A 34 7.200 -2.206 7.058 1.00 2.60 H new ATOM 0 HZ3 LYS A 34 8.749 -2.688 7.558 1.00 2.60 H new ATOM 566 N ASN A 35 7.690 0.842 4.029 1.00 0.37 N ATOM 567 CA ASN A 35 6.446 1.105 3.306 1.00 0.36 C ATOM 568 C ASN A 35 5.893 -0.192 2.716 1.00 0.34 C ATOM 569 O ASN A 35 6.634 -0.960 2.102 1.00 0.38 O ATOM 570 CB ASN A 35 6.683 2.120 2.185 1.00 0.36 C ATOM 571 CG ASN A 35 5.392 2.632 1.572 1.00 0.38 C ATOM 572 OD1 ASN A 35 4.801 3.601 2.053 1.00 0.75 O ATOM 573 ND2 ASN A 35 4.958 1.996 0.498 1.00 0.35 N ATOM 0 H ASN A 35 8.255 0.093 3.629 1.00 0.37 H new ATOM 0 HA ASN A 35 5.721 1.516 4.009 1.00 0.36 H new ATOM 0 HB2 ASN A 35 7.252 2.962 2.578 1.00 0.36 H new ATOM 0 HB3 ASN A 35 7.292 1.659 1.407 1.00 0.36 H new ATOM 0 HD21 ASN A 35 4.103 2.303 0.034 1.00 0.35 H new ATOM 0 HD22 ASN A 35 5.478 1.198 0.133 1.00 0.35 H new ATOM 580 N THR A 36 4.600 -0.431 2.900 1.00 0.32 N ATOM 581 CA THR A 36 3.965 -1.648 2.408 1.00 0.30 C ATOM 582 C THR A 36 3.251 -1.405 1.078 1.00 0.26 C ATOM 583 O THR A 36 2.261 -0.672 1.016 1.00 0.28 O ATOM 584 CB THR A 36 2.948 -2.192 3.434 1.00 0.36 C ATOM 585 OG1 THR A 36 3.577 -2.345 4.712 1.00 0.45 O ATOM 586 CG2 THR A 36 2.391 -3.532 2.983 1.00 0.37 C ATOM 0 H THR A 36 3.969 0.204 3.388 1.00 0.32 H new ATOM 0 HA THR A 36 4.756 -2.383 2.257 1.00 0.30 H new ATOM 0 HB THR A 36 2.128 -1.478 3.512 1.00 0.36 H new ATOM 0 HG1 THR A 36 4.060 -3.198 4.739 1.00 0.45 H new ATOM 0 HG21 THR A 36 1.677 -3.896 3.721 1.00 0.37 H new ATOM 0 HG22 THR A 36 1.891 -3.413 2.022 1.00 0.37 H new ATOM 0 HG23 THR A 36 3.206 -4.249 2.882 1.00 0.37 H new ATOM 594 N PHE A 37 3.761 -2.014 0.015 1.00 0.21 N ATOM 595 CA PHE A 37 3.123 -1.926 -1.291 1.00 0.18 C ATOM 596 C PHE A 37 2.221 -3.131 -1.526 1.00 0.18 C ATOM 597 O PHE A 37 2.442 -4.209 -0.971 1.00 0.21 O ATOM 598 CB PHE A 37 4.164 -1.844 -2.409 1.00 0.17 C ATOM 599 CG PHE A 37 4.996 -0.593 -2.395 1.00 0.17 C ATOM 600 CD1 PHE A 37 6.160 -0.518 -1.640 1.00 0.19 C ATOM 601 CD2 PHE A 37 4.603 0.516 -3.122 1.00 0.19 C ATOM 602 CE1 PHE A 37 6.909 0.640 -1.616 1.00 0.21 C ATOM 603 CE2 PHE A 37 5.352 1.675 -3.101 1.00 0.20 C ATOM 604 CZ PHE A 37 6.562 1.697 -2.389 1.00 0.20 C ATOM 0 H PHE A 37 4.614 -2.573 0.032 1.00 0.21 H new ATOM 0 HA PHE A 37 2.523 -1.016 -1.304 1.00 0.18 H new ATOM 0 HB2 PHE A 37 4.826 -2.707 -2.335 1.00 0.17 H new ATOM 0 HB3 PHE A 37 3.654 -1.915 -3.369 1.00 0.17 H new ATOM 0 HD1 PHE A 37 6.481 -1.375 -1.066 1.00 0.19 H new ATOM 0 HD2 PHE A 37 3.700 0.475 -3.713 1.00 0.19 H new ATOM 0 HE1 PHE A 37 7.777 0.704 -0.977 1.00 0.21 H new ATOM 0 HE2 PHE A 37 5.011 2.555 -3.626 1.00 0.20 H new ATOM 0 HZ PHE A 37 7.215 2.555 -2.457 1.00 0.20 H new ATOM 614 N ILE A 38 1.211 -2.934 -2.351 1.00 0.18 N ATOM 615 CA ILE A 38 0.247 -3.969 -2.669 1.00 0.17 C ATOM 616 C ILE A 38 0.342 -4.329 -4.146 1.00 0.17 C ATOM 617 O ILE A 38 0.147 -3.472 -5.012 1.00 0.18 O ATOM 618 CB ILE A 38 -1.186 -3.483 -2.353 1.00 0.18 C ATOM 619 CG1 ILE A 38 -1.288 -3.072 -0.881 1.00 0.20 C ATOM 620 CG2 ILE A 38 -2.217 -4.555 -2.689 1.00 0.17 C ATOM 621 CD1 ILE A 38 -2.527 -2.266 -0.560 1.00 0.22 C ATOM 0 H ILE A 38 1.035 -2.046 -2.822 1.00 0.18 H new ATOM 0 HA ILE A 38 0.469 -4.848 -2.063 1.00 0.17 H new ATOM 0 HB ILE A 38 -1.400 -2.614 -2.975 1.00 0.18 H new ATOM 0 HG12 ILE A 38 -1.278 -3.968 -0.261 1.00 0.20 H new ATOM 0 HG13 ILE A 38 -0.407 -2.489 -0.614 1.00 0.20 H new ATOM 0 HG21 ILE A 38 -3.216 -4.185 -2.456 1.00 0.17 H new ATOM 0 HG22 ILE A 38 -2.158 -4.797 -3.750 1.00 0.17 H new ATOM 0 HG23 ILE A 38 -2.016 -5.450 -2.101 1.00 0.17 H new ATOM 0 HD11 ILE A 38 -2.531 -2.011 0.500 1.00 0.22 H new ATOM 0 HD12 ILE A 38 -2.530 -1.352 -1.153 1.00 0.22 H new ATOM 0 HD13 ILE A 38 -3.414 -2.854 -0.795 1.00 0.22 H new ATOM 633 N TYR A 39 0.674 -5.581 -4.431 1.00 0.16 N ATOM 634 CA TYR A 39 0.707 -6.055 -5.803 1.00 0.17 C ATOM 635 C TYR A 39 -0.696 -6.401 -6.265 1.00 0.18 C ATOM 636 O TYR A 39 -1.199 -7.501 -6.017 1.00 0.18 O ATOM 637 CB TYR A 39 1.632 -7.266 -5.968 1.00 0.20 C ATOM 638 CG TYR A 39 1.544 -7.907 -7.338 1.00 0.23 C ATOM 639 CD1 TYR A 39 1.949 -7.221 -8.473 1.00 0.26 C ATOM 640 CD2 TYR A 39 1.049 -9.197 -7.493 1.00 0.29 C ATOM 641 CE1 TYR A 39 1.861 -7.799 -9.724 1.00 0.31 C ATOM 642 CE2 TYR A 39 0.960 -9.783 -8.740 1.00 0.34 C ATOM 643 CZ TYR A 39 1.366 -9.079 -9.852 1.00 0.35 C ATOM 644 OH TYR A 39 1.280 -9.657 -11.099 1.00 0.40 O ATOM 0 H TYR A 39 0.923 -6.282 -3.733 1.00 0.16 H new ATOM 0 HA TYR A 39 1.107 -5.252 -6.422 1.00 0.17 H new ATOM 0 HB2 TYR A 39 2.661 -6.956 -5.785 1.00 0.20 H new ATOM 0 HB3 TYR A 39 1.384 -8.009 -5.210 1.00 0.20 H new ATOM 0 HD1 TYR A 39 2.339 -6.219 -8.377 1.00 0.26 H new ATOM 0 HD2 TYR A 39 0.728 -9.750 -6.623 1.00 0.29 H new ATOM 0 HE1 TYR A 39 2.179 -7.250 -10.598 1.00 0.31 H new ATOM 0 HE2 TYR A 39 0.575 -10.787 -8.843 1.00 0.34 H new ATOM 0 HH TYR A 39 0.912 -10.561 -11.016 1.00 0.40 H new ATOM 654 N SER A 40 -1.320 -5.436 -6.905 1.00 0.23 N ATOM 655 CA SER A 40 -2.653 -5.580 -7.441 1.00 0.26 C ATOM 656 C SER A 40 -3.009 -4.279 -8.139 1.00 0.29 C ATOM 657 O SER A 40 -2.222 -3.329 -8.116 1.00 0.50 O ATOM 658 CB SER A 40 -3.661 -5.900 -6.321 1.00 0.25 C ATOM 659 OG SER A 40 -4.931 -6.249 -6.850 1.00 0.93 O ATOM 0 H SER A 40 -0.909 -4.517 -7.069 1.00 0.23 H new ATOM 0 HA SER A 40 -2.691 -6.409 -8.148 1.00 0.26 H new ATOM 0 HB2 SER A 40 -3.281 -6.720 -5.712 1.00 0.25 H new ATOM 0 HB3 SER A 40 -3.764 -5.036 -5.664 1.00 0.25 H new ATOM 0 HG SER A 40 -5.548 -6.448 -6.115 1.00 0.93 H new ATOM 665 N ARG A 41 -4.162 -4.220 -8.772 1.00 0.25 N ATOM 666 CA ARG A 41 -4.578 -2.994 -9.410 1.00 0.27 C ATOM 667 C ARG A 41 -5.319 -2.110 -8.424 1.00 0.22 C ATOM 668 O ARG A 41 -5.903 -2.587 -7.455 1.00 0.23 O ATOM 669 CB ARG A 41 -5.442 -3.275 -10.641 1.00 0.33 C ATOM 670 CG ARG A 41 -4.642 -3.757 -11.832 1.00 0.54 C ATOM 671 CD ARG A 41 -3.713 -2.663 -12.320 1.00 1.08 C ATOM 672 NE ARG A 41 -2.823 -3.107 -13.386 1.00 1.30 N ATOM 673 CZ ARG A 41 -2.065 -2.280 -14.102 1.00 2.21 C ATOM 674 NH1 ARG A 41 -2.179 -0.967 -13.936 1.00 2.92 N ATOM 675 NH2 ARG A 41 -1.214 -2.764 -14.997 1.00 2.66 N ATOM 0 H ARG A 41 -4.818 -4.996 -8.857 1.00 0.25 H new ATOM 0 HA ARG A 41 -3.684 -2.468 -9.746 1.00 0.27 H new ATOM 0 HB2 ARG A 41 -6.192 -4.024 -10.388 1.00 0.33 H new ATOM 0 HB3 ARG A 41 -5.979 -2.367 -10.915 1.00 0.33 H new ATOM 0 HG2 ARG A 41 -4.063 -4.639 -11.557 1.00 0.54 H new ATOM 0 HG3 ARG A 41 -5.316 -4.056 -12.635 1.00 0.54 H new ATOM 0 HD2 ARG A 41 -4.307 -1.821 -12.677 1.00 1.08 H new ATOM 0 HD3 ARG A 41 -3.116 -2.300 -11.483 1.00 1.08 H new ATOM 0 HE ARG A 41 -2.779 -4.105 -13.594 1.00 1.30 H new ATOM 0 HH11 ARG A 41 -2.847 -0.594 -13.261 1.00 2.92 H new ATOM 0 HH12 ARG A 41 -1.599 -0.331 -14.484 1.00 2.92 H new ATOM 0 HH21 ARG A 41 -1.140 -3.772 -15.137 1.00 2.66 H new ATOM 0 HH22 ARG A 41 -0.634 -2.129 -15.545 1.00 2.66 H new ATOM 689 N PRO A 42 -5.296 -0.806 -8.669 1.00 0.22 N ATOM 690 CA PRO A 42 -5.965 0.175 -7.818 1.00 0.21 C ATOM 691 C PRO A 42 -7.472 -0.029 -7.793 1.00 0.20 C ATOM 692 O PRO A 42 -8.127 0.207 -6.786 1.00 0.23 O ATOM 693 CB PRO A 42 -5.622 1.516 -8.474 1.00 0.24 C ATOM 694 CG PRO A 42 -5.197 1.188 -9.864 1.00 0.25 C ATOM 695 CD PRO A 42 -4.611 -0.187 -9.808 1.00 0.30 C ATOM 0 HA PRO A 42 -5.642 0.102 -6.779 1.00 0.21 H new ATOM 0 HB2 PRO A 42 -6.484 2.183 -8.475 1.00 0.24 H new ATOM 0 HB3 PRO A 42 -4.826 2.025 -7.931 1.00 0.24 H new ATOM 0 HG2 PRO A 42 -6.045 1.222 -10.548 1.00 0.25 H new ATOM 0 HG3 PRO A 42 -4.465 1.909 -10.227 1.00 0.25 H new ATOM 0 HD2 PRO A 42 -4.790 -0.737 -10.732 1.00 0.30 H new ATOM 0 HD3 PRO A 42 -3.532 -0.157 -9.659 1.00 0.30 H new ATOM 703 N GLU A 43 -8.006 -0.512 -8.899 1.00 0.21 N ATOM 704 CA GLU A 43 -9.441 -0.629 -9.064 1.00 0.25 C ATOM 705 C GLU A 43 -10.037 -1.742 -8.193 1.00 0.23 C ATOM 706 O GLU A 43 -11.005 -1.501 -7.474 1.00 0.24 O ATOM 707 CB GLU A 43 -9.760 -0.830 -10.540 1.00 0.36 C ATOM 708 CG GLU A 43 -9.499 0.421 -11.363 1.00 0.48 C ATOM 709 CD GLU A 43 -9.761 0.234 -12.840 1.00 1.60 C ATOM 710 OE1 GLU A 43 -10.939 0.305 -13.254 1.00 1.99 O ATOM 711 OE2 GLU A 43 -8.786 0.041 -13.596 1.00 2.36 O ATOM 0 H GLU A 43 -7.463 -0.831 -9.701 1.00 0.21 H new ATOM 0 HA GLU A 43 -9.908 0.295 -8.722 1.00 0.25 H new ATOM 0 HB2 GLU A 43 -9.159 -1.651 -10.931 1.00 0.36 H new ATOM 0 HB3 GLU A 43 -10.805 -1.121 -10.647 1.00 0.36 H new ATOM 0 HG2 GLU A 43 -10.127 1.230 -10.990 1.00 0.48 H new ATOM 0 HG3 GLU A 43 -8.463 0.730 -11.222 1.00 0.48 H new ATOM 718 N PRO A 44 -9.485 -2.972 -8.236 1.00 0.24 N ATOM 719 CA PRO A 44 -9.914 -4.064 -7.350 1.00 0.26 C ATOM 720 C PRO A 44 -9.667 -3.755 -5.870 1.00 0.24 C ATOM 721 O PRO A 44 -10.313 -4.332 -4.996 1.00 0.27 O ATOM 722 CB PRO A 44 -9.067 -5.260 -7.802 1.00 0.30 C ATOM 723 CG PRO A 44 -7.917 -4.668 -8.532 1.00 0.36 C ATOM 724 CD PRO A 44 -8.445 -3.419 -9.171 1.00 0.27 C ATOM 0 HA PRO A 44 -10.987 -4.240 -7.423 1.00 0.26 H new ATOM 0 HB2 PRO A 44 -8.731 -5.849 -6.949 1.00 0.30 H new ATOM 0 HB3 PRO A 44 -9.640 -5.928 -8.445 1.00 0.30 H new ATOM 0 HG2 PRO A 44 -7.095 -4.443 -7.852 1.00 0.36 H new ATOM 0 HG3 PRO A 44 -7.531 -5.359 -9.282 1.00 0.36 H new ATOM 0 HD2 PRO A 44 -7.664 -2.668 -9.292 1.00 0.27 H new ATOM 0 HD3 PRO A 44 -8.854 -3.616 -10.162 1.00 0.27 H new ATOM 732 N VAL A 45 -8.751 -2.830 -5.586 1.00 0.20 N ATOM 733 CA VAL A 45 -8.489 -2.437 -4.207 1.00 0.19 C ATOM 734 C VAL A 45 -9.441 -1.311 -3.802 1.00 0.17 C ATOM 735 O VAL A 45 -9.855 -1.208 -2.647 1.00 0.18 O ATOM 736 CB VAL A 45 -7.016 -1.995 -4.003 1.00 0.19 C ATOM 737 CG1 VAL A 45 -6.787 -1.481 -2.588 1.00 0.20 C ATOM 738 CG2 VAL A 45 -6.068 -3.146 -4.307 1.00 0.23 C ATOM 0 H VAL A 45 -8.186 -2.346 -6.284 1.00 0.20 H new ATOM 0 HA VAL A 45 -8.659 -3.306 -3.571 1.00 0.19 H new ATOM 0 HB VAL A 45 -6.812 -1.179 -4.696 1.00 0.19 H new ATOM 0 HG11 VAL A 45 -5.746 -1.179 -2.475 1.00 0.20 H new ATOM 0 HG12 VAL A 45 -7.436 -0.625 -2.402 1.00 0.20 H new ATOM 0 HG13 VAL A 45 -7.015 -2.271 -1.873 1.00 0.20 H new ATOM 0 HG21 VAL A 45 -5.039 -2.819 -4.159 1.00 0.23 H new ATOM 0 HG22 VAL A 45 -6.283 -3.980 -3.639 1.00 0.23 H new ATOM 0 HG23 VAL A 45 -6.202 -3.465 -5.341 1.00 0.23 H new ATOM 748 N LYS A 46 -9.813 -0.489 -4.772 1.00 0.15 N ATOM 749 CA LYS A 46 -10.799 0.559 -4.552 1.00 0.15 C ATOM 750 C LYS A 46 -12.180 -0.062 -4.382 1.00 0.17 C ATOM 751 O LYS A 46 -13.030 0.465 -3.665 1.00 0.20 O ATOM 752 CB LYS A 46 -10.795 1.534 -5.732 1.00 0.17 C ATOM 753 CG LYS A 46 -11.570 2.817 -5.489 1.00 0.20 C ATOM 754 CD LYS A 46 -11.458 3.746 -6.683 1.00 0.27 C ATOM 755 CE LYS A 46 -11.964 5.139 -6.361 1.00 0.37 C ATOM 756 NZ LYS A 46 -11.744 6.074 -7.494 1.00 1.36 N ATOM 0 H LYS A 46 -9.445 -0.528 -5.723 1.00 0.15 H new ATOM 0 HA LYS A 46 -10.546 1.108 -3.645 1.00 0.15 H new ATOM 0 HB2 LYS A 46 -9.763 1.788 -5.974 1.00 0.17 H new ATOM 0 HB3 LYS A 46 -11.213 1.031 -6.604 1.00 0.17 H new ATOM 0 HG2 LYS A 46 -12.618 2.584 -5.300 1.00 0.20 H new ATOM 0 HG3 LYS A 46 -11.188 3.315 -4.598 1.00 0.20 H new ATOM 0 HD2 LYS A 46 -10.418 3.802 -7.004 1.00 0.27 H new ATOM 0 HD3 LYS A 46 -12.027 3.336 -7.517 1.00 0.27 H new ATOM 0 HE2 LYS A 46 -13.027 5.095 -6.125 1.00 0.37 H new ATOM 0 HE3 LYS A 46 -11.456 5.516 -5.473 1.00 0.37 H new ATOM 0 HZ1 LYS A 46 -12.456 6.831 -7.462 1.00 1.36 H new ATOM 0 HZ2 LYS A 46 -10.793 6.489 -7.422 1.00 1.36 H new ATOM 0 HZ3 LYS A 46 -11.829 5.557 -8.392 1.00 1.36 H new ATOM 770 N ALA A 47 -12.377 -1.206 -5.033 1.00 0.18 N ATOM 771 CA ALA A 47 -13.637 -1.934 -4.968 1.00 0.22 C ATOM 772 C ALA A 47 -13.901 -2.453 -3.560 1.00 0.22 C ATOM 773 O ALA A 47 -15.047 -2.709 -3.188 1.00 0.27 O ATOM 774 CB ALA A 47 -13.631 -3.085 -5.961 1.00 0.26 C ATOM 0 H ALA A 47 -11.669 -1.651 -5.618 1.00 0.18 H new ATOM 0 HA ALA A 47 -14.440 -1.244 -5.229 1.00 0.22 H new ATOM 0 HB1 ALA A 47 -14.578 -3.621 -5.902 1.00 0.26 H new ATOM 0 HB2 ALA A 47 -13.497 -2.695 -6.970 1.00 0.26 H new ATOM 0 HB3 ALA A 47 -12.814 -3.766 -5.724 1.00 0.26 H new ATOM 780 N ILE A 48 -12.837 -2.595 -2.776 1.00 0.20 N ATOM 781 CA ILE A 48 -12.960 -3.014 -1.387 1.00 0.21 C ATOM 782 C ILE A 48 -13.760 -1.977 -0.605 1.00 0.21 C ATOM 783 O ILE A 48 -14.472 -2.303 0.343 1.00 0.23 O ATOM 784 CB ILE A 48 -11.574 -3.205 -0.725 1.00 0.20 C ATOM 785 CG1 ILE A 48 -10.722 -4.155 -1.567 1.00 0.21 C ATOM 786 CG2 ILE A 48 -11.724 -3.750 0.692 1.00 0.22 C ATOM 787 CD1 ILE A 48 -9.295 -4.274 -1.092 1.00 0.21 C ATOM 0 H ILE A 48 -11.879 -2.425 -3.081 1.00 0.20 H new ATOM 0 HA ILE A 48 -13.478 -3.973 -1.372 1.00 0.21 H new ATOM 0 HB ILE A 48 -11.079 -2.235 -0.669 1.00 0.20 H new ATOM 0 HG12 ILE A 48 -11.181 -5.143 -1.560 1.00 0.21 H new ATOM 0 HG13 ILE A 48 -10.724 -3.810 -2.601 1.00 0.21 H new ATOM 0 HG21 ILE A 48 -10.738 -3.877 1.139 1.00 0.22 H new ATOM 0 HG22 ILE A 48 -12.307 -3.050 1.291 1.00 0.22 H new ATOM 0 HG23 ILE A 48 -12.234 -4.713 0.659 1.00 0.22 H new ATOM 0 HD11 ILE A 48 -8.753 -4.965 -1.738 1.00 0.21 H new ATOM 0 HD12 ILE A 48 -8.817 -3.295 -1.126 1.00 0.21 H new ATOM 0 HD13 ILE A 48 -9.282 -4.649 -0.069 1.00 0.21 H new ATOM 799 N CYS A 49 -13.661 -0.727 -1.041 1.00 0.20 N ATOM 800 CA CYS A 49 -14.327 0.373 -0.369 1.00 0.21 C ATOM 801 C CYS A 49 -15.571 0.828 -1.122 1.00 0.25 C ATOM 802 O CYS A 49 -16.179 1.842 -0.775 1.00 0.25 O ATOM 803 CB CYS A 49 -13.343 1.521 -0.213 1.00 0.19 C ATOM 804 SG CYS A 49 -11.927 1.091 0.839 1.00 0.18 S ATOM 0 H CYS A 49 -13.122 -0.453 -1.862 1.00 0.20 H new ATOM 0 HA CYS A 49 -14.660 0.034 0.612 1.00 0.21 H new ATOM 0 HB2 CYS A 49 -12.982 1.821 -1.197 1.00 0.19 H new ATOM 0 HB3 CYS A 49 -13.859 2.381 0.213 1.00 0.19 H new ATOM 809 N LYS A 50 -15.954 0.070 -2.140 1.00 0.32 N ATOM 810 CA LYS A 50 -17.141 0.385 -2.926 1.00 0.40 C ATOM 811 C LYS A 50 -18.383 0.364 -2.046 1.00 0.39 C ATOM 812 O LYS A 50 -18.727 -0.666 -1.465 1.00 0.47 O ATOM 813 CB LYS A 50 -17.303 -0.603 -4.081 1.00 0.54 C ATOM 814 CG LYS A 50 -18.493 -0.300 -4.978 1.00 0.68 C ATOM 815 CD LYS A 50 -18.644 -1.329 -6.087 1.00 0.92 C ATOM 816 CE LYS A 50 -18.980 -2.709 -5.539 1.00 1.58 C ATOM 817 NZ LYS A 50 -19.154 -3.701 -6.628 1.00 2.33 N ATOM 0 H LYS A 50 -15.459 -0.769 -2.442 1.00 0.32 H new ATOM 0 HA LYS A 50 -17.018 1.386 -3.339 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -16.394 -0.598 -4.683 1.00 0.54 H new ATOM 0 HB3 LYS A 50 -17.411 -1.609 -3.675 1.00 0.54 H new ATOM 0 HG2 LYS A 50 -19.403 -0.277 -4.378 1.00 0.68 H new ATOM 0 HG3 LYS A 50 -18.374 0.691 -5.416 1.00 0.68 H new ATOM 0 HD2 LYS A 50 -19.428 -1.010 -6.774 1.00 0.92 H new ATOM 0 HD3 LYS A 50 -17.719 -1.382 -6.662 1.00 0.92 H new ATOM 0 HE2 LYS A 50 -18.186 -3.039 -4.869 1.00 1.58 H new ATOM 0 HE3 LYS A 50 -19.894 -2.654 -4.947 1.00 1.58 H new ATOM 0 HZ1 LYS A 50 -19.382 -4.629 -6.219 1.00 2.33 H new ATOM 0 HZ2 LYS A 50 -19.928 -3.398 -7.253 1.00 2.33 H new ATOM 0 HZ3 LYS A 50 -18.274 -3.772 -7.177 1.00 2.33 H new ATOM 831 N GLY A 51 -19.036 1.510 -1.947 1.00 0.36 N ATOM 832 CA GLY A 51 -20.245 1.610 -1.158 1.00 0.38 C ATOM 833 C GLY A 51 -19.990 2.126 0.245 1.00 0.37 C ATOM 834 O GLY A 51 -20.924 2.303 1.027 1.00 0.44 O ATOM 0 H GLY A 51 -18.749 2.377 -2.401 1.00 0.36 H new ATOM 0 HA2 GLY A 51 -20.948 2.273 -1.662 1.00 0.38 H new ATOM 0 HA3 GLY A 51 -20.717 0.629 -1.099 1.00 0.38 H new ATOM 838 N ILE A 52 -18.731 2.375 0.577 1.00 0.31 N ATOM 839 CA ILE A 52 -18.391 2.861 1.907 1.00 0.29 C ATOM 840 C ILE A 52 -18.059 4.349 1.863 1.00 0.29 C ATOM 841 O ILE A 52 -16.921 4.735 1.596 1.00 0.27 O ATOM 842 CB ILE A 52 -17.185 2.105 2.508 1.00 0.26 C ATOM 843 CG1 ILE A 52 -17.284 0.597 2.237 1.00 0.28 C ATOM 844 CG2 ILE A 52 -17.096 2.369 4.005 1.00 0.28 C ATOM 845 CD1 ILE A 52 -18.515 -0.065 2.820 1.00 0.33 C ATOM 0 H ILE A 52 -17.935 2.250 -0.049 1.00 0.31 H new ATOM 0 HA ILE A 52 -19.263 2.687 2.538 1.00 0.29 H new ATOM 0 HB ILE A 52 -16.279 2.473 2.027 1.00 0.26 H new ATOM 0 HG12 ILE A 52 -17.274 0.433 1.160 1.00 0.28 H new ATOM 0 HG13 ILE A 52 -16.398 0.109 2.642 1.00 0.28 H new ATOM 0 HG21 ILE A 52 -16.243 1.832 4.419 1.00 0.28 H new ATOM 0 HG22 ILE A 52 -16.971 3.438 4.179 1.00 0.28 H new ATOM 0 HG23 ILE A 52 -18.010 2.027 4.490 1.00 0.28 H new ATOM 0 HD11 ILE A 52 -18.504 -1.128 2.581 1.00 0.33 H new ATOM 0 HD12 ILE A 52 -18.519 0.064 3.902 1.00 0.33 H new ATOM 0 HD13 ILE A 52 -19.409 0.393 2.397 1.00 0.33 H new ATOM 857 N ILE A 53 -19.058 5.183 2.109 1.00 0.33 N ATOM 858 CA ILE A 53 -18.868 6.624 2.090 1.00 0.35 C ATOM 859 C ILE A 53 -18.318 7.113 3.428 1.00 0.34 C ATOM 860 O ILE A 53 -17.349 7.873 3.466 1.00 0.35 O ATOM 861 CB ILE A 53 -20.185 7.362 1.748 1.00 0.40 C ATOM 862 CG1 ILE A 53 -20.540 7.196 0.262 1.00 0.49 C ATOM 863 CG2 ILE A 53 -20.078 8.845 2.088 1.00 0.42 C ATOM 864 CD1 ILE A 53 -20.770 5.770 -0.194 1.00 0.55 C ATOM 0 H ILE A 53 -20.010 4.885 2.324 1.00 0.33 H new ATOM 0 HA ILE A 53 -18.142 6.851 1.309 1.00 0.35 H new ATOM 0 HB ILE A 53 -20.978 6.917 2.349 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -21.439 7.776 0.053 1.00 0.49 H new ATOM 0 HG13 ILE A 53 -19.737 7.626 -0.337 1.00 0.49 H new ATOM 0 HG21 ILE A 53 -21.015 9.344 1.839 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -19.877 8.961 3.153 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -19.266 9.292 1.515 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -21.014 5.763 -1.256 1.00 0.55 H new ATOM 0 HD12 ILE A 53 -19.867 5.184 -0.025 1.00 0.55 H new ATOM 0 HD13 ILE A 53 -21.595 5.336 0.371 1.00 0.55 H new ATOM 876 N ALA A 54 -18.931 6.677 4.520 1.00 0.37 N ATOM 877 CA ALA A 54 -18.453 7.029 5.850 1.00 0.38 C ATOM 878 C ALA A 54 -17.187 6.251 6.181 1.00 0.33 C ATOM 879 O ALA A 54 -17.102 5.057 5.892 1.00 0.32 O ATOM 880 CB ALA A 54 -19.524 6.765 6.896 1.00 0.46 C ATOM 0 H ALA A 54 -19.758 6.080 4.511 1.00 0.37 H new ATOM 0 HA ALA A 54 -18.222 8.094 5.859 1.00 0.38 H new ATOM 0 HB1 ALA A 54 -19.145 7.035 7.881 1.00 0.46 H new ATOM 0 HB2 ALA A 54 -20.407 7.362 6.671 1.00 0.46 H new ATOM 0 HB3 ALA A 54 -19.789 5.708 6.887 1.00 0.46 H new ATOM 886 N SER A 55 -16.209 6.943 6.761 1.00 0.34 N ATOM 887 CA SER A 55 -14.934 6.338 7.139 1.00 0.34 C ATOM 888 C SER A 55 -15.134 5.075 7.975 1.00 0.32 C ATOM 889 O SER A 55 -15.541 5.146 9.136 1.00 0.36 O ATOM 890 CB SER A 55 -14.092 7.353 7.909 1.00 0.41 C ATOM 891 OG SER A 55 -14.839 7.920 8.975 1.00 1.42 O ATOM 0 H SER A 55 -16.278 7.936 6.982 1.00 0.34 H new ATOM 0 HA SER A 55 -14.413 6.048 6.226 1.00 0.34 H new ATOM 0 HB2 SER A 55 -13.199 6.868 8.302 1.00 0.41 H new ATOM 0 HB3 SER A 55 -13.756 8.141 7.234 1.00 0.41 H new ATOM 0 HG SER A 55 -15.326 7.212 9.446 1.00 1.42 H new ATOM 897 N LYS A 56 -14.850 3.927 7.378 1.00 0.30 N ATOM 898 CA LYS A 56 -15.020 2.646 8.048 1.00 0.31 C ATOM 899 C LYS A 56 -13.836 1.733 7.749 1.00 0.29 C ATOM 900 O LYS A 56 -13.399 1.628 6.602 1.00 0.27 O ATOM 901 CB LYS A 56 -16.332 1.994 7.590 1.00 0.34 C ATOM 902 CG LYS A 56 -16.674 0.700 8.310 1.00 0.40 C ATOM 903 CD LYS A 56 -17.967 0.098 7.782 1.00 0.51 C ATOM 904 CE LYS A 56 -18.314 -1.202 8.493 1.00 0.94 C ATOM 905 NZ LYS A 56 -18.592 -0.997 9.939 1.00 1.71 N ATOM 0 H LYS A 56 -14.498 3.857 6.423 1.00 0.30 H new ATOM 0 HA LYS A 56 -15.064 2.808 9.125 1.00 0.31 H new ATOM 0 HB2 LYS A 56 -17.147 2.703 7.736 1.00 0.34 H new ATOM 0 HB3 LYS A 56 -16.271 1.795 6.520 1.00 0.34 H new ATOM 0 HG2 LYS A 56 -15.860 -0.014 8.185 1.00 0.40 H new ATOM 0 HG3 LYS A 56 -16.769 0.890 9.379 1.00 0.40 H new ATOM 0 HD2 LYS A 56 -18.780 0.812 7.912 1.00 0.51 H new ATOM 0 HD3 LYS A 56 -17.872 -0.087 6.712 1.00 0.51 H new ATOM 0 HE2 LYS A 56 -19.186 -1.652 8.018 1.00 0.94 H new ATOM 0 HE3 LYS A 56 -17.490 -1.907 8.380 1.00 0.94 H new ATOM 0 HZ1 LYS A 56 -18.986 -1.870 10.344 1.00 1.71 H new ATOM 0 HZ2 LYS A 56 -17.709 -0.754 10.431 1.00 1.71 H new ATOM 0 HZ3 LYS A 56 -19.277 -0.223 10.055 1.00 1.71 H new ATOM 919 N ASN A 57 -13.308 1.090 8.781 1.00 0.36 N ATOM 920 CA ASN A 57 -12.188 0.170 8.621 1.00 0.37 C ATOM 921 C ASN A 57 -12.686 -1.183 8.144 1.00 0.33 C ATOM 922 O ASN A 57 -13.431 -1.860 8.857 1.00 0.41 O ATOM 923 CB ASN A 57 -11.440 -0.018 9.944 1.00 0.50 C ATOM 924 CG ASN A 57 -10.662 1.209 10.380 1.00 0.80 C ATOM 925 OD1 ASN A 57 -10.194 1.993 9.555 1.00 1.49 O ATOM 926 ND2 ASN A 57 -10.516 1.379 11.686 1.00 1.13 N ATOM 0 H ASN A 57 -13.638 1.188 9.741 1.00 0.36 H new ATOM 0 HA ASN A 57 -11.509 0.598 7.884 1.00 0.37 H new ATOM 0 HB2 ASN A 57 -12.156 -0.280 10.723 1.00 0.50 H new ATOM 0 HB3 ASN A 57 -10.753 -0.859 9.847 1.00 0.50 H new ATOM 0 HD21 ASN A 57 -10.000 2.184 12.041 1.00 1.13 H new ATOM 0 HD22 ASN A 57 -10.920 0.705 12.336 1.00 1.13 H new ATOM 933 N VAL A 58 -12.292 -1.577 6.944 1.00 0.28 N ATOM 934 CA VAL A 58 -12.692 -2.868 6.415 1.00 0.27 C ATOM 935 C VAL A 58 -11.465 -3.738 6.140 1.00 0.25 C ATOM 936 O VAL A 58 -10.463 -3.279 5.587 1.00 0.25 O ATOM 937 CB VAL A 58 -13.554 -2.735 5.137 1.00 0.28 C ATOM 938 CG1 VAL A 58 -14.714 -1.778 5.364 1.00 0.61 C ATOM 939 CG2 VAL A 58 -12.720 -2.297 3.949 1.00 0.57 C ATOM 0 H VAL A 58 -11.700 -1.025 6.323 1.00 0.28 H new ATOM 0 HA VAL A 58 -13.309 -3.349 7.174 1.00 0.27 H new ATOM 0 HB VAL A 58 -13.962 -3.720 4.910 1.00 0.28 H new ATOM 0 HG11 VAL A 58 -15.306 -1.701 4.452 1.00 0.61 H new ATOM 0 HG12 VAL A 58 -15.341 -2.152 6.173 1.00 0.61 H new ATOM 0 HG13 VAL A 58 -14.327 -0.794 5.630 1.00 0.61 H new ATOM 0 HG21 VAL A 58 -13.357 -2.214 3.068 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -12.265 -1.329 4.161 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -11.938 -3.033 3.763 1.00 0.57 H new ATOM 949 N LEU A 59 -11.543 -4.988 6.559 1.00 0.28 N ATOM 950 CA LEU A 59 -10.442 -5.924 6.408 1.00 0.26 C ATOM 951 C LEU A 59 -10.722 -6.859 5.236 1.00 0.26 C ATOM 952 O LEU A 59 -11.830 -7.385 5.104 1.00 0.30 O ATOM 953 CB LEU A 59 -10.255 -6.697 7.730 1.00 0.30 C ATOM 954 CG LEU A 59 -9.107 -7.718 7.801 1.00 0.34 C ATOM 955 CD1 LEU A 59 -9.567 -9.091 7.346 1.00 0.53 C ATOM 956 CD2 LEU A 59 -7.910 -7.263 6.985 1.00 0.67 C ATOM 0 H LEU A 59 -12.367 -5.383 7.012 1.00 0.28 H new ATOM 0 HA LEU A 59 -9.515 -5.393 6.191 1.00 0.26 H new ATOM 0 HB2 LEU A 59 -10.107 -5.969 8.527 1.00 0.30 H new ATOM 0 HB3 LEU A 59 -11.185 -7.222 7.947 1.00 0.30 H new ATOM 0 HG LEU A 59 -8.799 -7.788 8.844 1.00 0.34 H new ATOM 0 HD11 LEU A 59 -8.735 -9.792 7.407 1.00 0.53 H new ATOM 0 HD12 LEU A 59 -10.378 -9.434 7.988 1.00 0.53 H new ATOM 0 HD13 LEU A 59 -9.919 -9.034 6.316 1.00 0.53 H new ATOM 0 HD21 LEU A 59 -7.117 -8.007 7.057 1.00 0.67 H new ATOM 0 HD22 LEU A 59 -8.204 -7.145 5.942 1.00 0.67 H new ATOM 0 HD23 LEU A 59 -7.549 -6.309 7.370 1.00 0.67 H new ATOM 968 N THR A 60 -9.721 -7.052 4.384 1.00 0.22 N ATOM 969 CA THR A 60 -9.874 -7.890 3.205 1.00 0.22 C ATOM 970 C THR A 60 -9.982 -9.351 3.610 1.00 0.24 C ATOM 971 O THR A 60 -9.199 -9.840 4.417 1.00 0.33 O ATOM 972 CB THR A 60 -8.699 -7.711 2.223 1.00 0.21 C ATOM 973 OG1 THR A 60 -7.458 -8.025 2.870 1.00 0.25 O ATOM 974 CG2 THR A 60 -8.651 -6.288 1.694 1.00 0.24 C ATOM 0 H THR A 60 -8.795 -6.638 4.490 1.00 0.22 H new ATOM 0 HA THR A 60 -10.789 -7.581 2.699 1.00 0.22 H new ATOM 0 HB THR A 60 -8.851 -8.392 1.386 1.00 0.21 H new ATOM 0 HG1 THR A 60 -7.144 -8.903 2.567 1.00 0.25 H new ATOM 0 HG21 THR A 60 -7.814 -6.185 1.003 1.00 0.24 H new ATOM 0 HG22 THR A 60 -9.582 -6.062 1.173 1.00 0.24 H new ATOM 0 HG23 THR A 60 -8.523 -5.595 2.525 1.00 0.24 H new ATOM 982 N THR A 61 -10.951 -10.036 3.041 1.00 0.27 N ATOM 983 CA THR A 61 -11.254 -11.406 3.415 1.00 0.33 C ATOM 984 C THR A 61 -10.129 -12.373 3.047 1.00 0.33 C ATOM 985 O THR A 61 -9.985 -13.437 3.654 1.00 0.43 O ATOM 986 CB THR A 61 -12.556 -11.844 2.740 1.00 0.43 C ATOM 987 OG1 THR A 61 -12.502 -11.536 1.340 1.00 0.48 O ATOM 988 CG2 THR A 61 -13.745 -11.142 3.374 1.00 0.46 C ATOM 0 H THR A 61 -11.552 -9.662 2.307 1.00 0.27 H new ATOM 0 HA THR A 61 -11.363 -11.434 4.499 1.00 0.33 H new ATOM 0 HB THR A 61 -12.674 -12.920 2.871 1.00 0.43 H new ATOM 0 HG1 THR A 61 -13.336 -11.819 0.910 1.00 0.48 H new ATOM 0 HG21 THR A 61 -14.663 -11.465 2.882 1.00 0.46 H new ATOM 0 HG22 THR A 61 -13.793 -11.393 4.434 1.00 0.46 H new ATOM 0 HG23 THR A 61 -13.633 -10.064 3.262 1.00 0.46 H new ATOM 996 N SER A 62 -9.327 -11.994 2.069 1.00 0.28 N ATOM 997 CA SER A 62 -8.258 -12.849 1.580 1.00 0.31 C ATOM 998 C SER A 62 -6.919 -12.115 1.604 1.00 0.26 C ATOM 999 O SER A 62 -6.879 -10.886 1.721 1.00 0.24 O ATOM 1000 CB SER A 62 -8.576 -13.315 0.161 1.00 0.41 C ATOM 1001 OG SER A 62 -9.820 -13.996 0.113 1.00 1.09 O ATOM 0 H SER A 62 -9.396 -11.094 1.594 1.00 0.28 H new ATOM 0 HA SER A 62 -8.182 -13.716 2.236 1.00 0.31 H new ATOM 0 HB2 SER A 62 -8.602 -12.456 -0.510 1.00 0.41 H new ATOM 0 HB3 SER A 62 -7.784 -13.973 -0.195 1.00 0.41 H new ATOM 0 HG SER A 62 -10.001 -14.282 -0.807 1.00 1.09 H new ATOM 1007 N GLU A 63 -5.829 -12.872 1.509 1.00 0.26 N ATOM 1008 CA GLU A 63 -4.498 -12.287 1.481 1.00 0.23 C ATOM 1009 C GLU A 63 -4.190 -11.738 0.099 1.00 0.24 C ATOM 1010 O GLU A 63 -4.564 -12.331 -0.916 1.00 0.35 O ATOM 1011 CB GLU A 63 -3.409 -13.305 1.862 1.00 0.25 C ATOM 1012 CG GLU A 63 -3.567 -13.947 3.235 1.00 0.34 C ATOM 1013 CD GLU A 63 -4.790 -14.824 3.357 1.00 1.20 C ATOM 1014 OE1 GLU A 63 -5.094 -15.554 2.398 1.00 1.44 O ATOM 1015 OE2 GLU A 63 -5.447 -14.801 4.418 1.00 2.06 O ATOM 0 H GLU A 63 -5.845 -13.890 1.450 1.00 0.26 H new ATOM 0 HA GLU A 63 -4.493 -11.483 2.217 1.00 0.23 H new ATOM 0 HB2 GLU A 63 -3.394 -14.094 1.110 1.00 0.25 H new ATOM 0 HB3 GLU A 63 -2.440 -12.807 1.821 1.00 0.25 H new ATOM 0 HG2 GLU A 63 -2.680 -14.543 3.452 1.00 0.34 H new ATOM 0 HG3 GLU A 63 -3.617 -13.162 3.990 1.00 0.34 H new ATOM 1022 N PHE A 64 -3.516 -10.606 0.070 1.00 0.17 N ATOM 1023 CA PHE A 64 -3.047 -10.025 -1.172 1.00 0.17 C ATOM 1024 C PHE A 64 -1.533 -10.110 -1.229 1.00 0.16 C ATOM 1025 O PHE A 64 -0.879 -10.378 -0.217 1.00 0.15 O ATOM 1026 CB PHE A 64 -3.499 -8.571 -1.307 1.00 0.19 C ATOM 1027 CG PHE A 64 -4.954 -8.415 -1.653 1.00 0.21 C ATOM 1028 CD1 PHE A 64 -5.937 -8.613 -0.696 1.00 0.23 C ATOM 1029 CD2 PHE A 64 -5.335 -8.067 -2.938 1.00 0.26 C ATOM 1030 CE1 PHE A 64 -7.273 -8.465 -1.015 1.00 0.26 C ATOM 1031 CE2 PHE A 64 -6.669 -7.918 -3.264 1.00 0.29 C ATOM 1032 CZ PHE A 64 -7.639 -8.117 -2.302 1.00 0.28 C ATOM 0 H PHE A 64 -3.279 -10.065 0.902 1.00 0.17 H new ATOM 0 HA PHE A 64 -3.477 -10.586 -2.002 1.00 0.17 H new ATOM 0 HB2 PHE A 64 -3.301 -8.051 -0.370 1.00 0.19 H new ATOM 0 HB3 PHE A 64 -2.899 -8.084 -2.075 1.00 0.19 H new ATOM 0 HD1 PHE A 64 -5.655 -8.886 0.310 1.00 0.23 H new ATOM 0 HD2 PHE A 64 -4.580 -7.910 -3.694 1.00 0.26 H new ATOM 0 HE1 PHE A 64 -8.030 -8.621 -0.261 1.00 0.26 H new ATOM 0 HE2 PHE A 64 -6.953 -7.646 -4.270 1.00 0.29 H new ATOM 0 HZ PHE A 64 -8.683 -8.001 -2.555 1.00 0.28 H new ATOM 1042 N TYR A 65 -0.978 -9.885 -2.404 1.00 0.17 N ATOM 1043 CA TYR A 65 0.455 -10.014 -2.593 1.00 0.16 C ATOM 1044 C TYR A 65 1.139 -8.717 -2.190 1.00 0.16 C ATOM 1045 O TYR A 65 1.142 -7.751 -2.939 1.00 0.18 O ATOM 1046 CB TYR A 65 0.764 -10.361 -4.050 1.00 0.20 C ATOM 1047 CG TYR A 65 -0.026 -11.545 -4.565 1.00 0.30 C ATOM 1048 CD1 TYR A 65 0.236 -12.833 -4.109 1.00 0.38 C ATOM 1049 CD2 TYR A 65 -1.042 -11.374 -5.496 1.00 0.40 C ATOM 1050 CE1 TYR A 65 -0.492 -13.914 -4.572 1.00 0.49 C ATOM 1051 CE2 TYR A 65 -1.775 -12.449 -5.960 1.00 0.51 C ATOM 1052 CZ TYR A 65 -1.496 -13.717 -5.496 1.00 0.54 C ATOM 1053 OH TYR A 65 -2.226 -14.788 -5.956 1.00 0.66 O ATOM 0 H TYR A 65 -1.495 -9.613 -3.240 1.00 0.17 H new ATOM 0 HA TYR A 65 0.833 -10.820 -1.964 1.00 0.16 H new ATOM 0 HB2 TYR A 65 0.554 -9.493 -4.675 1.00 0.20 H new ATOM 0 HB3 TYR A 65 1.829 -10.573 -4.148 1.00 0.20 H new ATOM 0 HD1 TYR A 65 1.019 -12.991 -3.383 1.00 0.38 H new ATOM 0 HD2 TYR A 65 -1.263 -10.383 -5.864 1.00 0.40 H new ATOM 0 HE1 TYR A 65 -0.275 -14.908 -4.211 1.00 0.49 H new ATOM 0 HE2 TYR A 65 -2.563 -12.297 -6.683 1.00 0.51 H new ATOM 0 HH TYR A 65 -2.894 -14.476 -6.601 1.00 0.66 H new ATOM 1063 N LEU A 66 1.701 -8.695 -0.997 1.00 0.15 N ATOM 1064 CA LEU A 66 2.255 -7.472 -0.444 1.00 0.16 C ATOM 1065 C LEU A 66 3.769 -7.455 -0.571 1.00 0.16 C ATOM 1066 O LEU A 66 4.421 -8.505 -0.534 1.00 0.20 O ATOM 1067 CB LEU A 66 1.850 -7.334 1.022 1.00 0.18 C ATOM 1068 CG LEU A 66 0.347 -7.412 1.283 1.00 0.19 C ATOM 1069 CD1 LEU A 66 0.057 -7.304 2.769 1.00 0.22 C ATOM 1070 CD2 LEU A 66 -0.389 -6.327 0.513 1.00 0.19 C ATOM 0 H LEU A 66 1.787 -9.511 -0.391 1.00 0.15 H new ATOM 0 HA LEU A 66 1.857 -6.629 -1.008 1.00 0.16 H new ATOM 0 HB2 LEU A 66 2.345 -8.117 1.596 1.00 0.18 H new ATOM 0 HB3 LEU A 66 2.221 -6.380 1.398 1.00 0.18 H new ATOM 0 HG LEU A 66 -0.011 -8.380 0.933 1.00 0.19 H new ATOM 0 HD11 LEU A 66 -1.019 -7.362 2.935 1.00 0.22 H new ATOM 0 HD12 LEU A 66 0.550 -8.121 3.296 1.00 0.22 H new ATOM 0 HD13 LEU A 66 0.432 -6.352 3.145 1.00 0.22 H new ATOM 0 HD21 LEU A 66 -1.458 -6.400 0.713 1.00 0.19 H new ATOM 0 HD22 LEU A 66 -0.027 -5.348 0.828 1.00 0.19 H new ATOM 0 HD23 LEU A 66 -0.210 -6.454 -0.555 1.00 0.19 H new ATOM 1082 N SER A 67 4.319 -6.266 -0.739 1.00 0.17 N ATOM 1083 CA SER A 67 5.754 -6.088 -0.810 1.00 0.18 C ATOM 1084 C SER A 67 6.181 -4.994 0.161 1.00 0.22 C ATOM 1085 O SER A 67 5.858 -3.819 -0.027 1.00 0.26 O ATOM 1086 CB SER A 67 6.169 -5.728 -2.238 1.00 0.22 C ATOM 1087 OG SER A 67 5.708 -6.700 -3.164 1.00 0.29 O ATOM 0 H SER A 67 3.785 -5.402 -0.829 1.00 0.17 H new ATOM 0 HA SER A 67 6.247 -7.020 -0.533 1.00 0.18 H new ATOM 0 HB2 SER A 67 5.766 -4.750 -2.502 1.00 0.22 H new ATOM 0 HB3 SER A 67 7.255 -5.652 -2.296 1.00 0.22 H new ATOM 0 HG SER A 67 6.351 -6.782 -3.899 1.00 0.29 H new ATOM 1093 N ASP A 68 6.884 -5.389 1.209 1.00 0.26 N ATOM 1094 CA ASP A 68 7.326 -4.446 2.228 1.00 0.34 C ATOM 1095 C ASP A 68 8.704 -3.909 1.905 1.00 0.29 C ATOM 1096 O ASP A 68 9.654 -4.669 1.722 1.00 0.34 O ATOM 1097 CB ASP A 68 7.358 -5.087 3.616 1.00 0.46 C ATOM 1098 CG ASP A 68 5.990 -5.237 4.237 1.00 1.12 C ATOM 1099 OD1 ASP A 68 5.382 -4.209 4.598 1.00 1.12 O ATOM 1100 OD2 ASP A 68 5.503 -6.381 4.345 1.00 2.01 O ATOM 0 H ASP A 68 7.162 -6.356 1.378 1.00 0.26 H new ATOM 0 HA ASP A 68 6.605 -3.629 2.234 1.00 0.34 H new ATOM 0 HB2 ASP A 68 7.826 -6.069 3.544 1.00 0.46 H new ATOM 0 HB3 ASP A 68 7.983 -4.483 4.273 1.00 0.46 H new ATOM 1105 N CYS A 69 8.803 -2.603 1.838 1.00 0.28 N ATOM 1106 CA CYS A 69 10.077 -1.945 1.663 1.00 0.26 C ATOM 1107 C CYS A 69 10.599 -1.497 3.011 1.00 0.30 C ATOM 1108 O CYS A 69 9.945 -0.724 3.696 1.00 0.35 O ATOM 1109 CB CYS A 69 9.916 -0.750 0.735 1.00 0.25 C ATOM 1110 SG CYS A 69 9.509 -1.220 -0.970 1.00 0.62 S ATOM 0 H CYS A 69 8.007 -1.968 1.903 1.00 0.28 H new ATOM 0 HA CYS A 69 10.790 -2.639 1.217 1.00 0.26 H new ATOM 0 HB2 CYS A 69 9.132 -0.100 1.123 1.00 0.25 H new ATOM 0 HB3 CYS A 69 10.839 -0.171 0.735 1.00 0.25 H new ATOM 1115 N ASN A 70 11.763 -1.993 3.393 1.00 0.35 N ATOM 1116 CA ASN A 70 12.326 -1.685 4.703 1.00 0.42 C ATOM 1117 C ASN A 70 13.755 -1.207 4.557 1.00 0.44 C ATOM 1118 O ASN A 70 14.529 -1.764 3.774 1.00 0.49 O ATOM 1119 CB ASN A 70 12.300 -2.917 5.617 1.00 0.51 C ATOM 1120 CG ASN A 70 10.917 -3.522 5.777 1.00 0.97 C ATOM 1121 OD1 ASN A 70 10.157 -3.145 6.670 1.00 1.93 O ATOM 1122 ND2 ASN A 70 10.588 -4.480 4.922 1.00 1.08 N ATOM 0 H ASN A 70 12.338 -2.609 2.819 1.00 0.35 H new ATOM 0 HA ASN A 70 11.718 -0.900 5.151 1.00 0.42 H new ATOM 0 HB2 ASN A 70 12.974 -3.673 5.214 1.00 0.51 H new ATOM 0 HB3 ASN A 70 12.682 -2.639 6.599 1.00 0.51 H new ATOM 0 HD21 ASN A 70 9.677 -4.933 4.990 1.00 1.08 H new ATOM 0 HD22 ASN A 70 11.246 -4.764 4.196 1.00 1.08 H new ATOM 1129 N VAL A 71 14.088 -0.165 5.300 1.00 0.47 N ATOM 1130 CA VAL A 71 15.437 0.375 5.313 1.00 0.51 C ATOM 1131 C VAL A 71 16.410 -0.644 5.910 1.00 0.56 C ATOM 1132 O VAL A 71 16.043 -1.428 6.791 1.00 0.60 O ATOM 1133 CB VAL A 71 15.483 1.702 6.103 1.00 0.54 C ATOM 1134 CG1 VAL A 71 15.191 1.477 7.577 1.00 0.90 C ATOM 1135 CG2 VAL A 71 16.817 2.408 5.914 1.00 0.82 C ATOM 0 H VAL A 71 13.435 0.328 5.908 1.00 0.47 H new ATOM 0 HA VAL A 71 15.739 0.581 4.286 1.00 0.51 H new ATOM 0 HB VAL A 71 14.702 2.349 5.704 1.00 0.54 H new ATOM 0 HG11 VAL A 71 15.231 2.430 8.105 1.00 0.90 H new ATOM 0 HG12 VAL A 71 14.198 1.041 7.689 1.00 0.90 H new ATOM 0 HG13 VAL A 71 15.934 0.798 7.996 1.00 0.90 H new ATOM 0 HG21 VAL A 71 16.820 3.339 6.482 1.00 0.82 H new ATOM 0 HG22 VAL A 71 17.623 1.765 6.268 1.00 0.82 H new ATOM 0 HG23 VAL A 71 16.966 2.628 4.857 1.00 0.82 H new ATOM 1145 N THR A 72 17.640 -0.652 5.416 1.00 0.58 N ATOM 1146 CA THR A 72 18.619 -1.632 5.853 1.00 0.64 C ATOM 1147 C THR A 72 19.787 -0.987 6.598 1.00 0.75 C ATOM 1148 O THR A 72 19.638 -0.552 7.742 1.00 0.93 O ATOM 1149 CB THR A 72 19.150 -2.458 4.664 1.00 0.71 C ATOM 1150 OG1 THR A 72 19.530 -1.583 3.590 1.00 0.78 O ATOM 1151 CG2 THR A 72 18.100 -3.443 4.174 1.00 0.78 C ATOM 0 H THR A 72 17.981 0.007 4.716 1.00 0.58 H new ATOM 0 HA THR A 72 18.104 -2.297 6.546 1.00 0.64 H new ATOM 0 HB THR A 72 20.021 -3.020 5.002 1.00 0.71 H new ATOM 0 HG1 THR A 72 18.785 -0.983 3.378 1.00 0.78 H new ATOM 0 HG21 THR A 72 18.499 -4.013 3.335 1.00 0.78 H new ATOM 0 HG22 THR A 72 17.835 -4.124 4.982 1.00 0.78 H new ATOM 0 HG23 THR A 72 17.212 -2.898 3.853 1.00 0.78 H new ATOM 1159 N SER A 73 20.934 -0.902 5.935 1.00 0.86 N ATOM 1160 CA SER A 73 22.156 -0.436 6.570 1.00 1.02 C ATOM 1161 C SER A 73 22.355 1.058 6.356 1.00 0.90 C ATOM 1162 O SER A 73 22.896 1.757 7.217 1.00 0.99 O ATOM 1163 CB SER A 73 23.346 -1.217 6.012 1.00 1.33 C ATOM 1164 OG SER A 73 23.326 -1.223 4.591 1.00 1.87 O ATOM 0 H SER A 73 21.041 -1.152 4.952 1.00 0.86 H new ATOM 0 HA SER A 73 22.078 -0.607 7.644 1.00 1.02 H new ATOM 0 HB2 SER A 73 24.276 -0.772 6.365 1.00 1.33 H new ATOM 0 HB3 SER A 73 23.321 -2.241 6.385 1.00 1.33 H new ATOM 0 HG SER A 73 24.097 -1.726 4.255 1.00 1.87 H new ATOM 1170 N ARG A 74 21.928 1.543 5.202 1.00 0.81 N ATOM 1171 CA ARG A 74 22.035 2.955 4.883 1.00 0.76 C ATOM 1172 C ARG A 74 20.662 3.596 4.857 1.00 0.68 C ATOM 1173 O ARG A 74 19.694 2.975 4.419 1.00 0.63 O ATOM 1174 CB ARG A 74 22.724 3.155 3.532 1.00 0.88 C ATOM 1175 CG ARG A 74 24.218 2.900 3.563 1.00 1.40 C ATOM 1176 CD ARG A 74 24.832 3.001 2.178 1.00 1.55 C ATOM 1177 NE ARG A 74 26.287 2.913 2.227 1.00 2.35 N ATOM 1178 CZ ARG A 74 27.030 2.249 1.345 1.00 2.74 C ATOM 1179 NH1 ARG A 74 26.466 1.602 0.334 1.00 2.41 N ATOM 1180 NH2 ARG A 74 28.349 2.241 1.475 1.00 3.76 N ATOM 0 H ARG A 74 21.502 0.976 4.468 1.00 0.81 H new ATOM 0 HA ARG A 74 22.637 3.431 5.657 1.00 0.76 H new ATOM 0 HB2 ARG A 74 22.267 2.490 2.799 1.00 0.88 H new ATOM 0 HB3 ARG A 74 22.546 4.175 3.191 1.00 0.88 H new ATOM 0 HG2 ARG A 74 24.697 3.620 4.227 1.00 1.40 H new ATOM 0 HG3 ARG A 74 24.410 1.909 3.975 1.00 1.40 H new ATOM 0 HD2 ARG A 74 24.440 2.204 1.547 1.00 1.55 H new ATOM 0 HD3 ARG A 74 24.539 3.945 1.718 1.00 1.55 H new ATOM 0 HE ARG A 74 26.767 3.393 2.988 1.00 2.35 H new ATOM 0 HH11 ARG A 74 25.452 1.610 0.226 1.00 2.41 H new ATOM 0 HH12 ARG A 74 27.046 1.097 -0.335 1.00 2.41 H new ATOM 0 HH21 ARG A 74 28.788 2.742 2.247 1.00 3.76 H new ATOM 0 HH22 ARG A 74 28.925 1.734 0.803 1.00 3.76 H new ATOM 1194 N PRO A 75 20.557 4.840 5.338 1.00 0.74 N ATOM 1195 CA PRO A 75 19.314 5.598 5.277 1.00 0.74 C ATOM 1196 C PRO A 75 18.827 5.741 3.842 1.00 0.65 C ATOM 1197 O PRO A 75 19.595 6.129 2.957 1.00 0.70 O ATOM 1198 CB PRO A 75 19.682 6.965 5.851 1.00 0.92 C ATOM 1199 CG PRO A 75 20.913 6.731 6.655 1.00 1.05 C ATOM 1200 CD PRO A 75 21.637 5.595 5.988 1.00 0.92 C ATOM 0 HA PRO A 75 18.508 5.110 5.824 1.00 0.74 H new ATOM 0 HB2 PRO A 75 19.862 7.690 5.057 1.00 0.92 H new ATOM 0 HB3 PRO A 75 18.877 7.362 6.469 1.00 0.92 H new ATOM 0 HG2 PRO A 75 21.535 7.626 6.685 1.00 1.05 H new ATOM 0 HG3 PRO A 75 20.663 6.482 7.686 1.00 1.05 H new ATOM 0 HD2 PRO A 75 22.369 5.954 5.264 1.00 0.92 H new ATOM 0 HD3 PRO A 75 22.177 4.983 6.710 1.00 0.92 H new ATOM 1208 N CYS A 76 17.560 5.407 3.631 1.00 0.57 N ATOM 1209 CA CYS A 76 16.926 5.452 2.313 1.00 0.52 C ATOM 1210 C CYS A 76 17.450 4.335 1.400 1.00 0.51 C ATOM 1211 O CYS A 76 17.205 4.335 0.195 1.00 0.55 O ATOM 1212 CB CYS A 76 17.114 6.830 1.664 1.00 0.58 C ATOM 1213 SG CYS A 76 16.012 7.153 0.245 1.00 1.55 S ATOM 0 H CYS A 76 16.935 5.094 4.374 1.00 0.57 H new ATOM 0 HA CYS A 76 15.858 5.286 2.452 1.00 0.52 H new ATOM 0 HB2 CYS A 76 16.949 7.599 2.419 1.00 0.58 H new ATOM 0 HB3 CYS A 76 18.148 6.924 1.334 1.00 0.58 H new ATOM 1218 N LYS A 77 18.167 3.377 1.981 1.00 0.50 N ATOM 1219 CA LYS A 77 18.574 2.171 1.260 1.00 0.50 C ATOM 1220 C LYS A 77 17.719 1.005 1.729 1.00 0.47 C ATOM 1221 O LYS A 77 17.730 0.653 2.911 1.00 0.51 O ATOM 1222 CB LYS A 77 20.058 1.859 1.489 1.00 0.60 C ATOM 1223 CG LYS A 77 21.001 2.413 0.426 1.00 1.30 C ATOM 1224 CD LYS A 77 20.876 3.920 0.268 1.00 1.57 C ATOM 1225 CE LYS A 77 20.033 4.292 -0.943 1.00 2.24 C ATOM 1226 NZ LYS A 77 20.586 3.742 -2.209 1.00 2.60 N ATOM 0 H LYS A 77 18.480 3.411 2.951 1.00 0.50 H new ATOM 0 HA LYS A 77 18.431 2.335 0.192 1.00 0.50 H new ATOM 0 HB2 LYS A 77 20.353 2.258 2.459 1.00 0.60 H new ATOM 0 HB3 LYS A 77 20.184 0.777 1.538 1.00 0.60 H new ATOM 0 HG2 LYS A 77 22.028 2.162 0.690 1.00 1.30 H new ATOM 0 HG3 LYS A 77 20.790 1.932 -0.529 1.00 1.30 H new ATOM 0 HD2 LYS A 77 20.428 4.344 1.167 1.00 1.57 H new ATOM 0 HD3 LYS A 77 21.869 4.359 0.169 1.00 1.57 H new ATOM 0 HE2 LYS A 77 19.017 3.922 -0.803 1.00 2.24 H new ATOM 0 HE3 LYS A 77 19.970 5.378 -1.019 1.00 2.24 H new ATOM 0 HZ1 LYS A 77 19.870 3.813 -2.960 1.00 2.60 H new ATOM 0 HZ2 LYS A 77 21.431 4.283 -2.483 1.00 2.60 H new ATOM 0 HZ3 LYS A 77 20.844 2.744 -2.070 1.00 2.60 H new ATOM 1240 N TYR A 78 16.989 0.398 0.808 1.00 0.45 N ATOM 1241 CA TYR A 78 15.989 -0.597 1.183 1.00 0.47 C ATOM 1242 C TYR A 78 16.195 -1.916 0.464 1.00 0.52 C ATOM 1243 O TYR A 78 16.880 -1.990 -0.555 1.00 0.59 O ATOM 1244 CB TYR A 78 14.582 -0.101 0.850 1.00 0.48 C ATOM 1245 CG TYR A 78 14.329 1.340 1.204 1.00 0.65 C ATOM 1246 CD1 TYR A 78 13.956 1.688 2.492 1.00 0.91 C ATOM 1247 CD2 TYR A 78 14.469 2.347 0.262 1.00 0.74 C ATOM 1248 CE1 TYR A 78 13.726 3.001 2.834 1.00 1.15 C ATOM 1249 CE2 TYR A 78 14.240 3.664 0.596 1.00 0.99 C ATOM 1250 CZ TYR A 78 13.863 3.997 1.828 1.00 1.17 C ATOM 1251 OH TYR A 78 13.643 5.290 2.226 1.00 1.44 O ATOM 0 H TYR A 78 17.066 0.571 -0.194 1.00 0.45 H new ATOM 0 HA TYR A 78 16.102 -0.751 2.256 1.00 0.47 H new ATOM 0 HB2 TYR A 78 14.406 -0.236 -0.217 1.00 0.48 H new ATOM 0 HB3 TYR A 78 13.857 -0.724 1.374 1.00 0.48 H new ATOM 0 HD1 TYR A 78 13.844 0.917 3.240 1.00 0.91 H new ATOM 0 HD2 TYR A 78 14.761 2.096 -0.747 1.00 0.74 H new ATOM 0 HE1 TYR A 78 13.448 3.269 3.843 1.00 1.15 H new ATOM 0 HE2 TYR A 78 14.368 4.434 -0.150 1.00 0.99 H new ATOM 0 HH TYR A 78 13.192 5.292 3.096 1.00 1.44 H new ATOM 1261 N LYS A 79 15.578 -2.951 1.015 1.00 0.53 N ATOM 1262 CA LYS A 79 15.453 -4.233 0.352 1.00 0.58 C ATOM 1263 C LYS A 79 13.984 -4.627 0.310 1.00 0.46 C ATOM 1264 O LYS A 79 13.191 -4.171 1.138 1.00 0.47 O ATOM 1265 CB LYS A 79 16.278 -5.300 1.065 1.00 0.78 C ATOM 1266 CG LYS A 79 17.758 -5.214 0.761 1.00 1.39 C ATOM 1267 CD LYS A 79 18.516 -6.396 1.332 1.00 2.02 C ATOM 1268 CE LYS A 79 19.959 -6.402 0.862 1.00 2.63 C ATOM 1269 NZ LYS A 79 20.059 -6.498 -0.617 1.00 3.52 N ATOM 0 H LYS A 79 15.149 -2.921 1.940 1.00 0.53 H new ATOM 0 HA LYS A 79 15.837 -4.150 -0.665 1.00 0.58 H new ATOM 0 HB2 LYS A 79 16.129 -5.206 2.141 1.00 0.78 H new ATOM 0 HB3 LYS A 79 15.912 -6.285 0.777 1.00 0.78 H new ATOM 0 HG2 LYS A 79 17.906 -5.173 -0.318 1.00 1.39 H new ATOM 0 HG3 LYS A 79 18.161 -4.289 1.173 1.00 1.39 H new ATOM 0 HD2 LYS A 79 18.486 -6.359 2.421 1.00 2.02 H new ATOM 0 HD3 LYS A 79 18.029 -7.323 1.031 1.00 2.02 H new ATOM 0 HE2 LYS A 79 20.455 -5.493 1.201 1.00 2.63 H new ATOM 0 HE3 LYS A 79 20.486 -7.241 1.317 1.00 2.63 H new ATOM 0 HZ1 LYS A 79 21.018 -6.803 -0.881 1.00 3.52 H new ATOM 0 HZ2 LYS A 79 19.367 -7.191 -0.968 1.00 3.52 H new ATOM 0 HZ3 LYS A 79 19.863 -5.568 -1.039 1.00 3.52 H new ATOM 1283 N LEU A 80 13.622 -5.462 -0.649 1.00 0.45 N ATOM 1284 CA LEU A 80 12.226 -5.798 -0.866 1.00 0.41 C ATOM 1285 C LEU A 80 11.840 -7.057 -0.096 1.00 0.42 C ATOM 1286 O LEU A 80 12.653 -7.965 0.092 1.00 0.49 O ATOM 1287 CB LEU A 80 11.963 -5.959 -2.370 1.00 0.50 C ATOM 1288 CG LEU A 80 10.495 -5.891 -2.812 1.00 0.58 C ATOM 1289 CD1 LEU A 80 9.815 -7.240 -2.685 1.00 1.34 C ATOM 1290 CD2 LEU A 80 9.746 -4.846 -2.003 1.00 0.74 C ATOM 0 H LEU A 80 14.273 -5.918 -1.288 1.00 0.45 H new ATOM 0 HA LEU A 80 11.603 -4.987 -0.488 1.00 0.41 H new ATOM 0 HB2 LEU A 80 12.517 -5.184 -2.900 1.00 0.50 H new ATOM 0 HB3 LEU A 80 12.373 -6.917 -2.689 1.00 0.50 H new ATOM 0 HG LEU A 80 10.478 -5.605 -3.864 1.00 0.58 H new ATOM 0 HD11 LEU A 80 8.777 -7.156 -3.006 1.00 1.34 H new ATOM 0 HD12 LEU A 80 10.331 -7.968 -3.311 1.00 1.34 H new ATOM 0 HD13 LEU A 80 9.848 -7.568 -1.646 1.00 1.34 H new ATOM 0 HD21 LEU A 80 8.706 -4.810 -2.329 1.00 0.74 H new ATOM 0 HD22 LEU A 80 9.786 -5.107 -0.945 1.00 0.74 H new ATOM 0 HD23 LEU A 80 10.207 -3.870 -2.154 1.00 0.74 H new ATOM 1302 N LYS A 81 10.593 -7.095 0.343 1.00 0.40 N ATOM 1303 CA LYS A 81 10.062 -8.211 1.112 1.00 0.44 C ATOM 1304 C LYS A 81 8.746 -8.685 0.503 1.00 0.38 C ATOM 1305 O LYS A 81 7.753 -7.961 0.521 1.00 0.36 O ATOM 1306 CB LYS A 81 9.837 -7.777 2.562 1.00 0.49 C ATOM 1307 CG LYS A 81 9.019 -8.757 3.381 1.00 0.60 C ATOM 1308 CD LYS A 81 8.493 -8.093 4.638 1.00 0.71 C ATOM 1309 CE LYS A 81 7.403 -8.915 5.297 1.00 1.18 C ATOM 1310 NZ LYS A 81 6.585 -8.086 6.217 1.00 1.87 N ATOM 0 H LYS A 81 9.917 -6.350 0.176 1.00 0.40 H new ATOM 0 HA LYS A 81 10.778 -9.032 1.090 1.00 0.44 H new ATOM 0 HB2 LYS A 81 10.805 -7.637 3.043 1.00 0.49 H new ATOM 0 HB3 LYS A 81 9.336 -6.809 2.567 1.00 0.49 H new ATOM 0 HG2 LYS A 81 8.186 -9.131 2.785 1.00 0.60 H new ATOM 0 HG3 LYS A 81 9.632 -9.618 3.647 1.00 0.60 H new ATOM 0 HD2 LYS A 81 9.313 -7.946 5.341 1.00 0.71 H new ATOM 0 HD3 LYS A 81 8.104 -7.105 4.391 1.00 0.71 H new ATOM 0 HE2 LYS A 81 6.762 -9.353 4.532 1.00 1.18 H new ATOM 0 HE3 LYS A 81 7.851 -9.741 5.849 1.00 1.18 H new ATOM 0 HZ1 LYS A 81 6.011 -8.705 6.825 1.00 1.87 H new ATOM 0 HZ2 LYS A 81 7.211 -7.504 6.809 1.00 1.87 H new ATOM 0 HZ3 LYS A 81 5.959 -7.468 5.663 1.00 1.87 H new ATOM 1324 N LYS A 82 8.744 -9.888 -0.051 1.00 0.40 N ATOM 1325 CA LYS A 82 7.550 -10.437 -0.671 1.00 0.37 C ATOM 1326 C LYS A 82 6.778 -11.311 0.312 1.00 0.36 C ATOM 1327 O LYS A 82 7.279 -12.340 0.770 1.00 0.46 O ATOM 1328 CB LYS A 82 7.944 -11.245 -1.904 1.00 0.47 C ATOM 1329 CG LYS A 82 8.808 -10.461 -2.872 1.00 0.54 C ATOM 1330 CD LYS A 82 9.236 -11.298 -4.058 1.00 0.76 C ATOM 1331 CE LYS A 82 10.072 -10.484 -5.032 1.00 0.90 C ATOM 1332 NZ LYS A 82 11.387 -10.092 -4.454 1.00 1.10 N ATOM 0 H LYS A 82 9.557 -10.503 -0.083 1.00 0.40 H new ATOM 0 HA LYS A 82 6.899 -9.615 -0.969 1.00 0.37 H new ATOM 0 HB2 LYS A 82 8.480 -12.140 -1.589 1.00 0.47 H new ATOM 0 HB3 LYS A 82 7.042 -11.578 -2.418 1.00 0.47 H new ATOM 0 HG2 LYS A 82 8.258 -9.589 -3.224 1.00 0.54 H new ATOM 0 HG3 LYS A 82 9.692 -10.092 -2.352 1.00 0.54 H new ATOM 0 HD2 LYS A 82 9.810 -12.157 -3.712 1.00 0.76 H new ATOM 0 HD3 LYS A 82 8.355 -11.688 -4.568 1.00 0.76 H new ATOM 0 HE2 LYS A 82 10.235 -11.063 -5.941 1.00 0.90 H new ATOM 0 HE3 LYS A 82 9.522 -9.588 -5.320 1.00 0.90 H new ATOM 0 HZ1 LYS A 82 11.573 -9.090 -4.663 1.00 1.10 H new ATOM 0 HZ2 LYS A 82 11.369 -10.233 -3.424 1.00 1.10 H new ATOM 0 HZ3 LYS A 82 12.138 -10.678 -4.871 1.00 1.10 H new ATOM 1346 N SER A 83 5.563 -10.897 0.633 1.00 0.31 N ATOM 1347 CA SER A 83 4.709 -11.654 1.536 1.00 0.36 C ATOM 1348 C SER A 83 3.269 -11.651 1.039 1.00 0.31 C ATOM 1349 O SER A 83 2.917 -10.887 0.139 1.00 0.50 O ATOM 1350 CB SER A 83 4.785 -11.068 2.946 1.00 0.46 C ATOM 1351 OG SER A 83 6.099 -11.169 3.469 1.00 1.12 O ATOM 0 H SER A 83 5.144 -10.037 0.280 1.00 0.31 H new ATOM 0 HA SER A 83 5.061 -12.685 1.564 1.00 0.36 H new ATOM 0 HB2 SER A 83 4.477 -10.023 2.926 1.00 0.46 H new ATOM 0 HB3 SER A 83 4.088 -11.593 3.600 1.00 0.46 H new ATOM 0 HG SER A 83 6.056 -11.413 4.417 1.00 1.12 H new ATOM 1357 N THR A 84 2.448 -12.518 1.611 1.00 0.25 N ATOM 1358 CA THR A 84 1.043 -12.595 1.242 1.00 0.23 C ATOM 1359 C THR A 84 0.172 -12.544 2.497 1.00 0.22 C ATOM 1360 O THR A 84 0.198 -13.459 3.323 1.00 0.29 O ATOM 1361 CB THR A 84 0.751 -13.885 0.443 1.00 0.27 C ATOM 1362 OG1 THR A 84 1.801 -14.108 -0.511 1.00 0.35 O ATOM 1363 CG2 THR A 84 -0.580 -13.786 -0.291 1.00 0.27 C ATOM 0 H THR A 84 2.731 -13.179 2.334 1.00 0.25 H new ATOM 0 HA THR A 84 0.807 -11.742 0.606 1.00 0.23 H new ATOM 0 HB THR A 84 0.699 -14.717 1.146 1.00 0.27 H new ATOM 0 HG1 THR A 84 1.616 -14.927 -1.016 1.00 0.35 H new ATOM 0 HG21 THR A 84 -0.760 -14.708 -0.845 1.00 0.27 H new ATOM 0 HG22 THR A 84 -1.383 -13.634 0.430 1.00 0.27 H new ATOM 0 HG23 THR A 84 -0.551 -12.946 -0.985 1.00 0.27 H new ATOM 1371 N ASN A 85 -0.591 -11.469 2.643 1.00 0.18 N ATOM 1372 CA ASN A 85 -1.412 -11.263 3.833 1.00 0.18 C ATOM 1373 C ASN A 85 -2.598 -10.382 3.481 1.00 0.17 C ATOM 1374 O ASN A 85 -2.570 -9.680 2.467 1.00 0.18 O ATOM 1375 CB ASN A 85 -0.606 -10.595 4.953 1.00 0.21 C ATOM 1376 CG ASN A 85 -1.136 -10.914 6.343 1.00 0.30 C ATOM 1377 OD1 ASN A 85 -2.313 -11.229 6.525 1.00 0.61 O ATOM 1378 ND2 ASN A 85 -0.268 -10.821 7.340 1.00 0.37 N ATOM 0 H ASN A 85 -0.660 -10.723 1.951 1.00 0.18 H new ATOM 0 HA ASN A 85 -1.754 -12.236 4.185 1.00 0.18 H new ATOM 0 HB2 ASN A 85 0.434 -10.915 4.885 1.00 0.21 H new ATOM 0 HB3 ASN A 85 -0.617 -9.515 4.806 1.00 0.21 H new ATOM 0 HD21 ASN A 85 -0.567 -11.013 8.296 1.00 0.37 H new ATOM 0 HD22 ASN A 85 0.699 -10.557 7.151 1.00 0.37 H new ATOM 1385 N LYS A 86 -3.643 -10.430 4.296 1.00 0.19 N ATOM 1386 CA LYS A 86 -4.772 -9.535 4.128 1.00 0.19 C ATOM 1387 C LYS A 86 -4.344 -8.135 4.549 1.00 0.18 C ATOM 1388 O LYS A 86 -3.224 -7.944 5.022 1.00 0.21 O ATOM 1389 CB LYS A 86 -5.957 -9.976 4.993 1.00 0.24 C ATOM 1390 CG LYS A 86 -6.126 -11.483 5.143 1.00 0.37 C ATOM 1391 CD LYS A 86 -7.400 -11.794 5.905 1.00 0.33 C ATOM 1392 CE LYS A 86 -7.482 -13.244 6.354 1.00 0.55 C ATOM 1393 NZ LYS A 86 -7.843 -14.166 5.246 1.00 1.17 N ATOM 0 H LYS A 86 -3.729 -11.079 5.078 1.00 0.19 H new ATOM 0 HA LYS A 86 -5.084 -9.550 3.084 1.00 0.19 H new ATOM 0 HB2 LYS A 86 -5.845 -9.539 5.985 1.00 0.24 H new ATOM 0 HB3 LYS A 86 -6.871 -9.565 4.565 1.00 0.24 H new ATOM 0 HG2 LYS A 86 -6.158 -11.952 4.160 1.00 0.37 H new ATOM 0 HG3 LYS A 86 -5.268 -11.902 5.668 1.00 0.37 H new ATOM 0 HD2 LYS A 86 -7.463 -11.145 6.778 1.00 0.33 H new ATOM 0 HD3 LYS A 86 -8.259 -11.565 5.275 1.00 0.33 H new ATOM 0 HE2 LYS A 86 -6.522 -13.545 6.774 1.00 0.55 H new ATOM 0 HE3 LYS A 86 -8.221 -13.333 7.151 1.00 0.55 H new ATOM 0 HZ1 LYS A 86 -8.117 -15.090 5.638 1.00 1.17 H new ATOM 0 HZ2 LYS A 86 -8.640 -13.768 4.709 1.00 1.17 H new ATOM 0 HZ3 LYS A 86 -7.026 -14.286 4.614 1.00 1.17 H new ATOM 1407 N PHE A 87 -5.208 -7.156 4.373 1.00 0.17 N ATOM 1408 CA PHE A 87 -4.936 -5.825 4.889 1.00 0.18 C ATOM 1409 C PHE A 87 -6.230 -5.072 5.140 1.00 0.18 C ATOM 1410 O PHE A 87 -7.225 -5.272 4.446 1.00 0.19 O ATOM 1411 CB PHE A 87 -4.008 -5.036 3.956 1.00 0.20 C ATOM 1412 CG PHE A 87 -4.495 -4.905 2.535 1.00 0.18 C ATOM 1413 CD1 PHE A 87 -5.389 -3.908 2.190 1.00 0.22 C ATOM 1414 CD2 PHE A 87 -4.069 -5.787 1.552 1.00 0.27 C ATOM 1415 CE1 PHE A 87 -5.849 -3.789 0.893 1.00 0.22 C ATOM 1416 CE2 PHE A 87 -4.529 -5.673 0.253 1.00 0.29 C ATOM 1417 CZ PHE A 87 -5.362 -4.655 -0.095 1.00 0.20 C ATOM 0 H PHE A 87 -6.097 -7.252 3.882 1.00 0.17 H new ATOM 0 HA PHE A 87 -4.417 -5.938 5.841 1.00 0.18 H new ATOM 0 HB2 PHE A 87 -3.866 -4.037 4.369 1.00 0.20 H new ATOM 0 HB3 PHE A 87 -3.031 -5.519 3.946 1.00 0.20 H new ATOM 0 HD1 PHE A 87 -5.732 -3.214 2.943 1.00 0.22 H new ATOM 0 HD2 PHE A 87 -3.370 -6.571 1.804 1.00 0.27 H new ATOM 0 HE1 PHE A 87 -6.579 -3.034 0.642 1.00 0.22 H new ATOM 0 HE2 PHE A 87 -4.225 -6.396 -0.490 1.00 0.29 H new ATOM 0 HZ PHE A 87 -5.646 -4.515 -1.127 1.00 0.20 H new ATOM 1427 N CYS A 88 -6.222 -4.236 6.161 1.00 0.20 N ATOM 1428 CA CYS A 88 -7.396 -3.475 6.521 1.00 0.20 C ATOM 1429 C CYS A 88 -7.236 -2.043 6.034 1.00 0.20 C ATOM 1430 O CYS A 88 -6.237 -1.384 6.336 1.00 0.23 O ATOM 1431 CB CYS A 88 -7.599 -3.509 8.038 1.00 0.25 C ATOM 1432 SG CYS A 88 -9.270 -3.040 8.585 1.00 0.49 S ATOM 0 H CYS A 88 -5.410 -4.069 6.756 1.00 0.20 H new ATOM 0 HA CYS A 88 -8.275 -3.914 6.049 1.00 0.20 H new ATOM 0 HB2 CYS A 88 -7.381 -4.514 8.399 1.00 0.25 H new ATOM 0 HB3 CYS A 88 -6.876 -2.839 8.504 1.00 0.25 H new ATOM 1437 N VAL A 89 -8.198 -1.576 5.261 1.00 0.21 N ATOM 1438 CA VAL A 89 -8.162 -0.224 4.735 1.00 0.22 C ATOM 1439 C VAL A 89 -9.310 0.595 5.299 1.00 0.24 C ATOM 1440 O VAL A 89 -10.413 0.082 5.499 1.00 0.24 O ATOM 1441 CB VAL A 89 -8.217 -0.201 3.187 1.00 0.21 C ATOM 1442 CG1 VAL A 89 -6.906 -0.696 2.599 1.00 0.22 C ATOM 1443 CG2 VAL A 89 -9.381 -1.039 2.661 1.00 0.20 C ATOM 0 H VAL A 89 -9.018 -2.115 4.982 1.00 0.21 H new ATOM 0 HA VAL A 89 -7.213 0.215 5.044 1.00 0.22 H new ATOM 0 HB VAL A 89 -8.375 0.832 2.876 1.00 0.21 H new ATOM 0 HG11 VAL A 89 -6.964 -0.673 1.511 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -6.092 -0.053 2.933 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -6.721 -1.718 2.931 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -9.392 -1.003 1.572 1.00 0.20 H new ATOM 0 HG22 VAL A 89 -9.263 -2.072 2.988 1.00 0.20 H new ATOM 0 HG23 VAL A 89 -10.319 -0.641 3.047 1.00 0.20 H new ATOM 1453 N THR A 90 -9.043 1.856 5.591 1.00 0.26 N ATOM 1454 CA THR A 90 -10.083 2.750 6.038 1.00 0.28 C ATOM 1455 C THR A 90 -10.798 3.321 4.821 1.00 0.25 C ATOM 1456 O THR A 90 -10.241 4.151 4.094 1.00 0.25 O ATOM 1457 CB THR A 90 -9.520 3.910 6.871 1.00 0.33 C ATOM 1458 OG1 THR A 90 -8.617 3.413 7.865 1.00 0.35 O ATOM 1459 CG2 THR A 90 -10.642 4.691 7.541 1.00 0.40 C ATOM 0 H THR A 90 -8.117 2.278 5.525 1.00 0.26 H new ATOM 0 HA THR A 90 -10.769 2.183 6.667 1.00 0.28 H new ATOM 0 HB THR A 90 -8.983 4.580 6.199 1.00 0.33 H new ATOM 0 HG1 THR A 90 -9.084 2.770 8.439 1.00 0.35 H new ATOM 0 HG21 THR A 90 -10.218 5.508 8.125 1.00 0.40 H new ATOM 0 HG22 THR A 90 -11.308 5.097 6.779 1.00 0.40 H new ATOM 0 HG23 THR A 90 -11.205 4.028 8.198 1.00 0.40 H new ATOM 1467 N CYS A 91 -12.008 2.862 4.589 1.00 0.23 N ATOM 1468 CA CYS A 91 -12.769 3.283 3.430 1.00 0.22 C ATOM 1469 C CYS A 91 -13.557 4.551 3.709 1.00 0.25 C ATOM 1470 O CYS A 91 -14.292 4.634 4.690 1.00 0.29 O ATOM 1471 CB CYS A 91 -13.701 2.160 3.008 1.00 0.20 C ATOM 1472 SG CYS A 91 -12.823 0.628 2.591 1.00 0.20 S ATOM 0 H CYS A 91 -12.489 2.193 5.190 1.00 0.23 H new ATOM 0 HA CYS A 91 -12.073 3.506 2.621 1.00 0.22 H new ATOM 0 HB2 CYS A 91 -14.407 1.960 3.814 1.00 0.20 H new ATOM 0 HB3 CYS A 91 -14.284 2.484 2.146 1.00 0.20 H new ATOM 1477 N GLU A 92 -13.379 5.539 2.847 1.00 0.24 N ATOM 1478 CA GLU A 92 -14.101 6.793 2.951 1.00 0.29 C ATOM 1479 C GLU A 92 -14.373 7.338 1.553 1.00 0.27 C ATOM 1480 O GLU A 92 -13.474 7.380 0.715 1.00 0.27 O ATOM 1481 CB GLU A 92 -13.302 7.795 3.782 1.00 0.38 C ATOM 1482 CG GLU A 92 -14.028 9.091 4.061 1.00 0.48 C ATOM 1483 CD GLU A 92 -13.198 10.062 4.869 1.00 0.56 C ATOM 1484 OE1 GLU A 92 -12.038 10.323 4.490 1.00 0.76 O ATOM 1485 OE2 GLU A 92 -13.707 10.585 5.880 1.00 0.76 O ATOM 0 H GLU A 92 -12.732 5.493 2.059 1.00 0.24 H new ATOM 0 HA GLU A 92 -15.053 6.625 3.453 1.00 0.29 H new ATOM 0 HB2 GLU A 92 -13.034 7.331 4.731 1.00 0.38 H new ATOM 0 HB3 GLU A 92 -12.370 8.019 3.263 1.00 0.38 H new ATOM 0 HG2 GLU A 92 -14.307 9.557 3.116 1.00 0.48 H new ATOM 0 HG3 GLU A 92 -14.953 8.877 4.596 1.00 0.48 H new ATOM 1492 N ASN A 93 -15.623 7.721 1.303 1.00 0.29 N ATOM 1493 CA ASN A 93 -16.062 8.184 -0.018 1.00 0.31 C ATOM 1494 C ASN A 93 -15.829 7.116 -1.078 1.00 0.28 C ATOM 1495 O ASN A 93 -15.535 7.427 -2.236 1.00 0.31 O ATOM 1496 CB ASN A 93 -15.359 9.479 -0.431 1.00 0.35 C ATOM 1497 CG ASN A 93 -15.760 10.660 0.423 1.00 0.43 C ATOM 1498 OD1 ASN A 93 -14.931 10.989 1.399 1.00 0.69 O flip ATOM 1499 ND2 ASN A 93 -16.790 11.289 0.188 1.00 0.65 N flip ATOM 0 H ASN A 93 -16.361 7.720 2.007 1.00 0.29 H new ATOM 0 HA ASN A 93 -17.131 8.384 0.059 1.00 0.31 H new ATOM 0 HB2 ASN A 93 -14.280 9.338 -0.365 1.00 0.35 H new ATOM 0 HB3 ASN A 93 -15.589 9.696 -1.474 1.00 0.35 H new ATOM 0 HD21 ASN A 93 -17.401 11.000 -0.576 1.00 0.65 H new ATOM 0 HD22 ASN A 93 -17.033 12.100 0.757 1.00 0.65 H new ATOM 1506 N GLN A 94 -15.970 5.860 -0.663 1.00 0.26 N ATOM 1507 CA GLN A 94 -15.867 4.704 -1.550 1.00 0.25 C ATOM 1508 C GLN A 94 -14.444 4.480 -2.040 1.00 0.22 C ATOM 1509 O GLN A 94 -14.220 3.746 -3.004 1.00 0.26 O ATOM 1510 CB GLN A 94 -16.814 4.835 -2.741 1.00 0.31 C ATOM 1511 CG GLN A 94 -18.276 4.879 -2.349 1.00 0.36 C ATOM 1512 CD GLN A 94 -19.197 4.859 -3.548 1.00 0.44 C ATOM 1513 OE1 GLN A 94 -20.298 5.406 -3.512 1.00 0.69 O ATOM 1514 NE2 GLN A 94 -18.752 4.235 -4.624 1.00 0.48 N ATOM 0 H GLN A 94 -16.161 5.613 0.308 1.00 0.26 H new ATOM 0 HA GLN A 94 -16.158 3.835 -0.961 1.00 0.25 H new ATOM 0 HB2 GLN A 94 -16.567 5.742 -3.293 1.00 0.31 H new ATOM 0 HB3 GLN A 94 -16.653 3.996 -3.417 1.00 0.31 H new ATOM 0 HG2 GLN A 94 -18.502 4.028 -1.707 1.00 0.36 H new ATOM 0 HG3 GLN A 94 -18.465 5.779 -1.764 1.00 0.36 H new ATOM 0 HE21 GLN A 94 -17.833 3.793 -4.614 1.00 0.48 H new ATOM 0 HE22 GLN A 94 -19.328 4.195 -5.465 1.00 0.48 H new ATOM 1523 N ALA A 95 -13.484 5.087 -1.367 1.00 0.20 N ATOM 1524 CA ALA A 95 -12.091 4.918 -1.732 1.00 0.19 C ATOM 1525 C ALA A 95 -11.222 4.712 -0.498 1.00 0.17 C ATOM 1526 O ALA A 95 -11.418 5.370 0.528 1.00 0.19 O ATOM 1527 CB ALA A 95 -11.609 6.121 -2.529 1.00 0.21 C ATOM 0 H ALA A 95 -13.643 5.700 -0.567 1.00 0.20 H new ATOM 0 HA ALA A 95 -12.006 4.026 -2.353 1.00 0.19 H new ATOM 0 HB1 ALA A 95 -10.562 5.983 -2.798 1.00 0.21 H new ATOM 0 HB2 ALA A 95 -12.206 6.220 -3.435 1.00 0.21 H new ATOM 0 HB3 ALA A 95 -11.713 7.023 -1.926 1.00 0.21 H new ATOM 1533 N PRO A 96 -10.287 3.755 -0.566 1.00 0.16 N ATOM 1534 CA PRO A 96 -9.273 3.570 0.470 1.00 0.17 C ATOM 1535 C PRO A 96 -8.415 4.819 0.633 1.00 0.19 C ATOM 1536 O PRO A 96 -7.593 5.135 -0.225 1.00 0.25 O ATOM 1537 CB PRO A 96 -8.420 2.403 -0.039 1.00 0.19 C ATOM 1538 CG PRO A 96 -9.250 1.720 -1.075 1.00 0.17 C ATOM 1539 CD PRO A 96 -10.172 2.760 -1.645 1.00 0.17 C ATOM 0 HA PRO A 96 -9.718 3.377 1.446 1.00 0.17 H new ATOM 0 HB2 PRO A 96 -7.481 2.759 -0.462 1.00 0.19 H new ATOM 0 HB3 PRO A 96 -8.166 1.720 0.772 1.00 0.19 H new ATOM 0 HG2 PRO A 96 -8.620 1.292 -1.855 1.00 0.17 H new ATOM 0 HG3 PRO A 96 -9.817 0.899 -0.637 1.00 0.17 H new ATOM 0 HD2 PRO A 96 -9.764 3.201 -2.554 1.00 0.17 H new ATOM 0 HD3 PRO A 96 -11.142 2.336 -1.904 1.00 0.17 H new ATOM 1547 N VAL A 97 -8.634 5.544 1.717 1.00 0.20 N ATOM 1548 CA VAL A 97 -7.901 6.778 1.958 1.00 0.24 C ATOM 1549 C VAL A 97 -6.861 6.602 3.060 1.00 0.27 C ATOM 1550 O VAL A 97 -5.733 7.080 2.944 1.00 0.35 O ATOM 1551 CB VAL A 97 -8.849 7.943 2.310 1.00 0.29 C ATOM 1552 CG1 VAL A 97 -9.663 8.350 1.091 1.00 0.33 C ATOM 1553 CG2 VAL A 97 -9.770 7.558 3.454 1.00 0.35 C ATOM 0 H VAL A 97 -9.310 5.302 2.442 1.00 0.20 H new ATOM 0 HA VAL A 97 -7.385 7.024 1.030 1.00 0.24 H new ATOM 0 HB VAL A 97 -8.244 8.793 2.627 1.00 0.29 H new ATOM 0 HG11 VAL A 97 -10.327 9.173 1.355 1.00 0.33 H new ATOM 0 HG12 VAL A 97 -8.991 8.668 0.294 1.00 0.33 H new ATOM 0 HG13 VAL A 97 -10.255 7.501 0.749 1.00 0.33 H new ATOM 0 HG21 VAL A 97 -10.430 8.394 3.686 1.00 0.35 H new ATOM 0 HG22 VAL A 97 -10.367 6.693 3.165 1.00 0.35 H new ATOM 0 HG23 VAL A 97 -9.175 7.311 4.333 1.00 0.35 H new ATOM 1563 N HIS A 98 -7.235 5.908 4.124 1.00 0.30 N ATOM 1564 CA HIS A 98 -6.315 5.645 5.220 1.00 0.35 C ATOM 1565 C HIS A 98 -5.940 4.170 5.220 1.00 0.31 C ATOM 1566 O HIS A 98 -6.772 3.315 4.921 1.00 0.31 O ATOM 1567 CB HIS A 98 -6.933 6.021 6.577 1.00 0.42 C ATOM 1568 CG HIS A 98 -7.198 7.484 6.780 1.00 0.57 C ATOM 1569 ND1 HIS A 98 -8.255 8.253 6.427 1.00 1.03 N flip ATOM 1570 CD2 HIS A 98 -6.337 8.319 7.460 1.00 0.75 C flip ATOM 1571 CE1 HIS A 98 -8.016 9.519 6.895 1.00 1.08 C flip ATOM 1572 NE2 HIS A 98 -6.853 9.533 7.514 1.00 0.82 N flip ATOM 0 H HIS A 98 -8.168 5.517 4.252 1.00 0.30 H new ATOM 0 HA HIS A 98 -5.426 6.259 5.074 1.00 0.35 H new ATOM 0 HB2 HIS A 98 -7.872 5.480 6.692 1.00 0.42 H new ATOM 0 HB3 HIS A 98 -6.267 5.676 7.368 1.00 0.42 H new ATOM 0 HD2 HIS A 98 -5.388 8.025 7.883 1.00 0.75 H new ATOM 0 HE1 HIS A 98 -8.674 10.367 6.776 1.00 1.08 H new ATOM 0 HE2 HIS A 98 -6.424 10.344 7.959 1.00 0.82 H new ATOM 1581 N PHE A 99 -4.694 3.872 5.543 1.00 0.31 N ATOM 1582 CA PHE A 99 -4.241 2.491 5.586 1.00 0.29 C ATOM 1583 C PHE A 99 -4.059 2.050 7.032 1.00 0.29 C ATOM 1584 O PHE A 99 -3.267 2.634 7.772 1.00 0.36 O ATOM 1585 CB PHE A 99 -2.932 2.329 4.806 1.00 0.31 C ATOM 1586 CG PHE A 99 -2.477 0.900 4.681 1.00 0.30 C ATOM 1587 CD1 PHE A 99 -3.113 0.027 3.812 1.00 0.29 C ATOM 1588 CD2 PHE A 99 -1.413 0.431 5.437 1.00 0.32 C ATOM 1589 CE1 PHE A 99 -2.694 -1.286 3.699 1.00 0.29 C ATOM 1590 CE2 PHE A 99 -0.990 -0.880 5.327 1.00 0.33 C ATOM 1591 CZ PHE A 99 -1.642 -1.742 4.444 1.00 0.31 C ATOM 0 H PHE A 99 -3.981 4.562 5.778 1.00 0.31 H new ATOM 0 HA PHE A 99 -4.996 1.859 5.118 1.00 0.29 H new ATOM 0 HB2 PHE A 99 -3.059 2.749 3.808 1.00 0.31 H new ATOM 0 HB3 PHE A 99 -2.151 2.908 5.299 1.00 0.31 H new ATOM 0 HD1 PHE A 99 -3.944 0.376 3.217 1.00 0.29 H new ATOM 0 HD2 PHE A 99 -0.909 1.099 6.120 1.00 0.32 H new ATOM 0 HE1 PHE A 99 -3.200 -1.955 3.019 1.00 0.29 H new ATOM 0 HE2 PHE A 99 -0.160 -1.235 5.920 1.00 0.33 H new ATOM 0 HZ PHE A 99 -1.316 -2.767 4.349 1.00 0.31 H new ATOM 1601 N VAL A 100 -4.797 1.026 7.430 1.00 0.28 N ATOM 1602 CA VAL A 100 -4.754 0.549 8.803 1.00 0.28 C ATOM 1603 C VAL A 100 -3.527 -0.331 9.028 1.00 0.28 C ATOM 1604 O VAL A 100 -2.566 0.081 9.676 1.00 0.32 O ATOM 1605 CB VAL A 100 -6.034 -0.238 9.160 1.00 0.27 C ATOM 1606 CG1 VAL A 100 -5.986 -0.722 10.600 1.00 0.29 C ATOM 1607 CG2 VAL A 100 -7.277 0.610 8.910 1.00 0.29 C ATOM 0 H VAL A 100 -5.433 0.509 6.822 1.00 0.28 H new ATOM 0 HA VAL A 100 -4.691 1.421 9.454 1.00 0.28 H new ATOM 0 HB VAL A 100 -6.087 -1.113 8.513 1.00 0.27 H new ATOM 0 HG11 VAL A 100 -6.898 -1.274 10.829 1.00 0.29 H new ATOM 0 HG12 VAL A 100 -5.123 -1.374 10.736 1.00 0.29 H new ATOM 0 HG13 VAL A 100 -5.902 0.134 11.269 1.00 0.29 H new ATOM 0 HG21 VAL A 100 -8.167 0.036 9.168 1.00 0.29 H new ATOM 0 HG22 VAL A 100 -7.234 1.509 9.525 1.00 0.29 H new ATOM 0 HG23 VAL A 100 -7.320 0.892 7.858 1.00 0.29 H new ATOM 1617 N GLY A 101 -3.565 -1.537 8.483 1.00 0.28 N ATOM 1618 CA GLY A 101 -2.436 -2.435 8.585 1.00 0.29 C ATOM 1619 C GLY A 101 -2.716 -3.744 7.903 1.00 0.25 C ATOM 1620 O GLY A 101 -3.839 -3.980 7.452 1.00 0.28 O ATOM 0 H GLY A 101 -4.363 -1.911 7.969 1.00 0.28 H new ATOM 0 HA2 GLY A 101 -1.557 -1.970 8.138 1.00 0.29 H new ATOM 0 HA3 GLY A 101 -2.203 -2.612 9.635 1.00 0.29 H new ATOM 1624 N VAL A 102 -1.714 -4.602 7.823 1.00 0.25 N ATOM 1625 CA VAL A 102 -1.883 -5.874 7.153 1.00 0.22 C ATOM 1626 C VAL A 102 -2.319 -6.939 8.147 1.00 0.24 C ATOM 1627 O VAL A 102 -2.095 -6.817 9.356 1.00 0.28 O ATOM 1628 CB VAL A 102 -0.610 -6.330 6.396 1.00 0.24 C ATOM 1629 CG1 VAL A 102 0.097 -5.144 5.759 1.00 0.27 C ATOM 1630 CG2 VAL A 102 0.333 -7.126 7.288 1.00 0.25 C ATOM 0 H VAL A 102 -0.784 -4.441 8.210 1.00 0.25 H new ATOM 0 HA VAL A 102 -2.661 -5.736 6.403 1.00 0.22 H new ATOM 0 HB VAL A 102 -0.930 -7.001 5.599 1.00 0.24 H new ATOM 0 HG11 VAL A 102 0.987 -5.490 5.234 1.00 0.27 H new ATOM 0 HG12 VAL A 102 -0.575 -4.657 5.052 1.00 0.27 H new ATOM 0 HG13 VAL A 102 0.386 -4.434 6.534 1.00 0.27 H new ATOM 0 HG21 VAL A 102 1.211 -7.424 6.715 1.00 0.25 H new ATOM 0 HG22 VAL A 102 0.643 -6.509 8.132 1.00 0.25 H new ATOM 0 HG23 VAL A 102 -0.179 -8.015 7.657 1.00 0.25 H new ATOM 1640 N GLY A 103 -2.968 -7.960 7.630 1.00 0.24 N ATOM 1641 CA GLY A 103 -3.468 -9.026 8.462 1.00 0.29 C ATOM 1642 C GLY A 103 -4.922 -8.827 8.816 1.00 0.28 C ATOM 1643 O GLY A 103 -5.792 -9.561 8.344 1.00 0.34 O ATOM 0 H GLY A 103 -3.161 -8.072 6.635 1.00 0.24 H new ATOM 0 HA2 GLY A 103 -3.347 -9.978 7.945 1.00 0.29 H new ATOM 0 HA3 GLY A 103 -2.876 -9.082 9.376 1.00 0.29 H new ATOM 1647 N SER A 104 -5.178 -7.827 9.643 1.00 0.33 N ATOM 1648 CA SER A 104 -6.516 -7.506 10.093 1.00 0.32 C ATOM 1649 C SER A 104 -6.534 -6.128 10.745 1.00 0.39 C ATOM 1650 O SER A 104 -5.488 -5.490 10.880 1.00 0.59 O ATOM 1651 CB SER A 104 -6.979 -8.578 11.076 1.00 0.45 C ATOM 1652 OG SER A 104 -5.954 -8.895 12.007 1.00 1.38 O ATOM 0 H SER A 104 -4.457 -7.213 10.022 1.00 0.33 H new ATOM 0 HA SER A 104 -7.197 -7.483 9.242 1.00 0.32 H new ATOM 0 HB2 SER A 104 -7.864 -8.229 11.609 1.00 0.45 H new ATOM 0 HB3 SER A 104 -7.269 -9.476 10.530 1.00 0.45 H new ATOM 0 HG SER A 104 -6.276 -9.583 12.627 1.00 1.38 H new ATOM 1658 N CYS A 105 -7.715 -5.664 11.120 1.00 0.39 N ATOM 1659 CA CYS A 105 -7.841 -4.430 11.876 1.00 0.53 C ATOM 1660 C CYS A 105 -7.781 -4.741 13.362 1.00 0.48 C ATOM 1661 O CYS A 105 -6.690 -4.610 13.959 1.00 1.10 O ATOM 1662 CB CYS A 105 -9.147 -3.707 11.553 1.00 0.82 C ATOM 1663 SG CYS A 105 -8.962 -2.279 10.435 1.00 1.01 S ATOM 1664 OXT CYS A 105 -8.817 -5.152 13.922 1.00 1.20 O ATOM 0 H CYS A 105 -8.601 -6.125 10.912 1.00 0.39 H new ATOM 0 HA CYS A 105 -7.017 -3.773 11.598 1.00 0.53 H new ATOM 0 HB2 CYS A 105 -9.840 -4.418 11.103 1.00 0.82 H new ATOM 0 HB3 CYS A 105 -9.600 -3.367 12.484 1.00 0.82 H new