USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 853 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 63 GLN : amide:sc= -2.48! C(o=-0.98!,f=-6.6!) USER MOD Set 1.2: A 67 SER OG : rot 121:sc= 1.5 USER MOD Single : A 3 LYS NZ :NH3+ 162:sc= -0.0117 (180deg=-0.326) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -151:sc= 1.24 (180deg=0.0365) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.214 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 153:sc= -0.899 (180deg=-1.67) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -123:sc= -1.05 (180deg=-2.93!) USER MOD Single : A 43 HIS : no HD1:sc= -0.71 K(o=-0.71,f=-0.12) USER MOD Single : A 44 SER OG : rot 146:sc= 0.708 USER MOD Single : A 46 SER OG : rot 113:sc= -1.19! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.42 X(o=-2.4,f=-2.2) USER MOD Single : A 72 LYS NZ :NH3+ 165:sc= -0.0034 (180deg=-0.379) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.459 USER MOD Single : A 76 THR OG1 : rot -47:sc= -1.74! USER MOD Single : A 78 GLN : amide:sc= -4.57! C(o=-4.6!,f=-5.2!) USER MOD Single : A 81 LYS NZ :NH3+ 146:sc= -1.04 (180deg=-1.79) USER MOD Single : A 82 LYS NZ :NH3+ -177:sc= 0.966 (180deg=0.931) USER MOD Single : A 84 GLN : amide:sc= -0.606 K(o=-0.61,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -133:sc= -0.958 (180deg=-2.87!) USER MOD Single : A 90 SER OG : rot 122:sc= 1.29 USER MOD Single : A 93 ASN : amide:sc= -1.66 K(o=-1.7,f=-6.6!) USER MOD Single : A 94 LYS NZ :NH3+ 155:sc= -0.245 (180deg=-1.42!) USER MOD Single : A 96 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.362) USER MOD Single : A 100 THR OG1 : rot 73:sc= -0.106 USER MOD Single : A 102 ASN : amide:sc= -0.673 K(o=-0.67,f=-1.9!) USER MOD Single : B 5 TYR OH : rot 8:sc= -3.06 USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -3.984 -1.542 9.019 1.00 0.24 N ATOM 21 CA VAL A 2 -2.783 -1.554 8.133 1.00 0.19 C ATOM 22 C VAL A 2 -1.977 -2.831 8.378 1.00 0.22 C ATOM 23 O VAL A 2 -2.241 -3.578 9.300 1.00 0.28 O ATOM 24 CB VAL A 2 -1.913 -0.330 8.446 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.756 -0.234 7.438 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.773 0.933 8.359 1.00 0.30 C ATOM 0 HA VAL A 2 -3.098 -1.523 7.090 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.500 -0.428 9.450 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.144 0.638 7.668 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.144 -1.134 7.500 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -1.159 -0.138 6.430 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.160 1.807 8.581 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -3.185 1.024 7.354 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.588 0.869 9.080 1.00 0.30 H new ATOM 36 N LYS A 3 -0.985 -3.080 7.567 1.00 0.18 N ATOM 37 CA LYS A 3 -0.142 -4.295 7.752 1.00 0.22 C ATOM 38 C LYS A 3 1.239 -4.036 7.152 1.00 0.16 C ATOM 39 O LYS A 3 1.375 -3.772 5.974 1.00 0.13 O ATOM 40 CB LYS A 3 -0.782 -5.500 7.050 1.00 0.26 C ATOM 41 CG LYS A 3 -0.173 -6.792 7.605 1.00 0.34 C ATOM 42 CD LYS A 3 -0.705 -7.989 6.818 1.00 0.81 C ATOM 43 CE LYS A 3 -0.145 -9.282 7.413 1.00 1.37 C ATOM 44 NZ LYS A 3 -0.754 -9.517 8.754 1.00 1.97 N ATOM 0 H LYS A 3 -0.721 -2.489 6.779 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.056 -4.513 8.817 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.861 -5.496 7.207 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.616 -5.439 5.974 1.00 0.26 H new ATOM 0 HG2 LYS A 3 0.914 -6.753 7.536 1.00 0.34 H new ATOM 0 HG3 LYS A 3 -0.421 -6.899 8.661 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.794 -8.004 6.850 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -0.418 -7.905 5.770 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.360 -10.122 6.752 1.00 1.37 H new ATOM 0 HE3 LYS A 3 0.939 -9.215 7.501 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 -0.624 -10.513 9.025 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 -0.294 -8.904 9.457 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 -1.770 -9.299 8.717 1.00 1.97 H new ATOM 58 N GLN A 4 2.265 -4.105 7.953 1.00 0.18 N ATOM 59 CA GLN A 4 3.639 -3.859 7.432 1.00 0.15 C ATOM 60 C GLN A 4 4.231 -5.176 6.926 1.00 0.13 C ATOM 61 O GLN A 4 4.142 -6.198 7.576 1.00 0.14 O ATOM 62 CB GLN A 4 4.509 -3.288 8.561 1.00 0.20 C ATOM 63 CG GLN A 4 6.002 -3.458 8.234 1.00 0.21 C ATOM 64 CD GLN A 4 6.829 -2.479 9.072 1.00 0.27 C ATOM 65 OE1 GLN A 4 7.022 -2.686 10.253 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.327 -1.415 8.505 1.00 0.98 N ATOM 0 H GLN A 4 2.212 -4.322 8.948 1.00 0.18 H new ATOM 0 HA GLN A 4 3.605 -3.145 6.609 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.281 -2.232 8.704 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.277 -3.794 9.498 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.315 -4.482 8.439 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.174 -3.279 7.173 1.00 0.21 H new ATOM 0 HE21 GLN A 4 7.164 -1.242 7.513 1.00 0.98 H new ATOM 0 HE22 GLN A 4 7.879 -0.756 9.054 1.00 0.98 H new ATOM 75 N ILE A 5 4.839 -5.148 5.771 1.00 0.10 N ATOM 76 CA ILE A 5 5.456 -6.380 5.198 1.00 0.10 C ATOM 77 C ILE A 5 6.974 -6.268 5.353 1.00 0.10 C ATOM 78 O ILE A 5 7.582 -5.330 4.875 1.00 0.11 O ATOM 79 CB ILE A 5 5.112 -6.477 3.709 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.631 -6.121 3.482 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.413 -7.888 3.190 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.706 -7.031 4.304 1.00 0.19 C ATOM 0 H ILE A 5 4.936 -4.314 5.193 1.00 0.10 H new ATOM 0 HA ILE A 5 5.081 -7.264 5.714 1.00 0.10 H new ATOM 0 HB ILE A 5 5.726 -5.766 3.156 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.459 -5.080 3.757 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.390 -6.215 2.423 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.165 -7.946 2.130 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.472 -8.108 3.328 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.817 -8.614 3.743 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.668 -6.754 4.122 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.862 -8.069 4.010 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.931 -6.916 5.364 1.00 0.19 H new ATOM 94 N GLU A 6 7.590 -7.199 6.032 1.00 0.11 N ATOM 95 CA GLU A 6 9.067 -7.124 6.232 1.00 0.14 C ATOM 96 C GLU A 6 9.772 -8.100 5.286 1.00 0.14 C ATOM 97 O GLU A 6 10.963 -8.011 5.067 1.00 0.17 O ATOM 98 CB GLU A 6 9.391 -7.495 7.686 1.00 0.18 C ATOM 99 CG GLU A 6 8.336 -6.895 8.626 1.00 0.31 C ATOM 100 CD GLU A 6 7.118 -7.820 8.695 1.00 1.20 C ATOM 101 OE1 GLU A 6 7.255 -8.906 9.230 1.00 1.96 O ATOM 102 OE2 GLU A 6 6.072 -7.426 8.209 1.00 1.97 O ATOM 0 H GLU A 6 7.135 -8.007 6.456 1.00 0.11 H new ATOM 0 HA GLU A 6 9.413 -6.113 6.019 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.415 -8.579 7.797 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.381 -7.125 7.953 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.758 -6.759 9.622 1.00 0.31 H new ATOM 0 HG3 GLU A 6 8.036 -5.910 8.270 1.00 0.31 H new ATOM 109 N SER A 7 9.049 -9.030 4.723 1.00 0.13 N ATOM 110 CA SER A 7 9.684 -10.006 3.789 1.00 0.15 C ATOM 111 C SER A 7 8.646 -10.506 2.784 1.00 0.14 C ATOM 112 O SER A 7 7.457 -10.455 3.025 1.00 0.12 O ATOM 113 CB SER A 7 10.239 -11.189 4.587 1.00 0.20 C ATOM 114 OG SER A 7 9.250 -11.645 5.500 1.00 0.23 O ATOM 0 H SER A 7 8.047 -9.157 4.869 1.00 0.13 H new ATOM 0 HA SER A 7 10.497 -9.517 3.252 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.526 -11.995 3.912 1.00 0.20 H new ATOM 0 HB3 SER A 7 11.138 -10.889 5.126 1.00 0.20 H new ATOM 0 HG SER A 7 9.602 -12.404 6.011 1.00 0.23 H new ATOM 120 N LYS A 8 9.091 -10.996 1.659 1.00 0.15 N ATOM 121 CA LYS A 8 8.138 -11.509 0.633 1.00 0.14 C ATOM 122 C LYS A 8 7.173 -12.505 1.278 1.00 0.14 C ATOM 123 O LYS A 8 6.054 -12.677 0.838 1.00 0.13 O ATOM 124 CB LYS A 8 8.925 -12.208 -0.480 1.00 0.17 C ATOM 125 CG LYS A 8 8.034 -12.392 -1.712 1.00 0.21 C ATOM 126 CD LYS A 8 8.692 -13.381 -2.679 1.00 0.22 C ATOM 127 CE LYS A 8 7.832 -13.513 -3.936 1.00 1.06 C ATOM 128 NZ LYS A 8 8.567 -14.309 -4.958 1.00 1.90 N ATOM 0 H LYS A 8 10.077 -11.063 1.405 1.00 0.15 H new ATOM 0 HA LYS A 8 7.570 -10.678 0.216 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.804 -11.619 -0.741 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.283 -13.177 -0.131 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.053 -12.760 -1.412 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.878 -11.433 -2.207 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.692 -13.037 -2.944 1.00 0.22 H new ATOM 0 HD3 LYS A 8 8.806 -14.353 -2.200 1.00 0.22 H new ATOM 0 HE2 LYS A 8 6.886 -13.997 -3.693 1.00 1.06 H new ATOM 0 HE3 LYS A 8 7.593 -12.526 -4.331 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 8.269 -14.012 -5.909 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 9.589 -14.152 -4.851 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 8.356 -15.319 -4.829 1.00 1.90 H new ATOM 142 N THR A 9 7.597 -13.168 2.315 1.00 0.16 N ATOM 143 CA THR A 9 6.706 -14.155 2.982 1.00 0.18 C ATOM 144 C THR A 9 5.432 -13.453 3.457 1.00 0.16 C ATOM 145 O THR A 9 4.332 -13.923 3.240 1.00 0.17 O ATOM 146 CB THR A 9 7.436 -14.767 4.176 1.00 0.21 C ATOM 147 OG1 THR A 9 8.672 -15.318 3.742 1.00 0.24 O ATOM 148 CG2 THR A 9 6.577 -15.867 4.800 1.00 0.25 C ATOM 0 H THR A 9 8.523 -13.069 2.730 1.00 0.16 H new ATOM 0 HA THR A 9 6.439 -14.944 2.278 1.00 0.18 H new ATOM 0 HB THR A 9 7.622 -13.993 4.920 1.00 0.21 H new ATOM 0 HG1 THR A 9 9.142 -15.710 4.507 1.00 0.24 H new ATOM 0 HG21 THR A 9 7.102 -16.300 5.651 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.630 -15.443 5.135 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.385 -16.643 4.059 1.00 0.25 H new ATOM 156 N ALA A 10 5.572 -12.330 4.104 1.00 0.16 N ATOM 157 CA ALA A 10 4.374 -11.589 4.594 1.00 0.17 C ATOM 158 C ALA A 10 3.615 -10.988 3.407 1.00 0.15 C ATOM 159 O ALA A 10 2.429 -10.738 3.482 1.00 0.17 O ATOM 160 CB ALA A 10 4.824 -10.470 5.538 1.00 0.20 C ATOM 0 H ALA A 10 6.468 -11.891 4.316 1.00 0.16 H new ATOM 0 HA ALA A 10 3.715 -12.275 5.127 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.951 -9.925 5.899 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.358 -10.901 6.385 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.483 -9.786 5.003 1.00 0.20 H new ATOM 166 N PHE A 11 4.289 -10.738 2.317 1.00 0.12 N ATOM 167 CA PHE A 11 3.600 -10.136 1.140 1.00 0.11 C ATOM 168 C PHE A 11 2.456 -11.041 0.679 1.00 0.13 C ATOM 169 O PHE A 11 1.301 -10.678 0.756 1.00 0.16 O ATOM 170 CB PHE A 11 4.593 -9.953 -0.011 1.00 0.10 C ATOM 171 CG PHE A 11 3.874 -9.359 -1.203 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.429 -8.027 -1.158 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.643 -10.136 -2.352 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.756 -7.473 -2.258 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.970 -9.582 -3.453 1.00 0.18 C ATOM 176 CZ PHE A 11 2.526 -8.250 -3.406 1.00 0.21 C ATOM 0 H PHE A 11 5.284 -10.924 2.191 1.00 0.12 H new ATOM 0 HA PHE A 11 3.198 -9.166 1.432 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.409 -9.300 0.298 1.00 0.10 H new ATOM 0 HB3 PHE A 11 5.036 -10.912 -0.280 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.605 -7.429 -0.276 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.984 -11.160 -2.388 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.415 -6.449 -2.222 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.794 -10.180 -4.335 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.008 -7.823 -4.252 1.00 0.21 H new ATOM 186 N GLN A 12 2.766 -12.210 0.186 1.00 0.15 N ATOM 187 CA GLN A 12 1.689 -13.121 -0.297 1.00 0.19 C ATOM 188 C GLN A 12 0.681 -13.363 0.828 1.00 0.17 C ATOM 189 O GLN A 12 -0.515 -13.343 0.615 1.00 0.16 O ATOM 190 CB GLN A 12 2.303 -14.456 -0.731 1.00 0.24 C ATOM 191 CG GLN A 12 3.279 -14.225 -1.892 1.00 1.21 C ATOM 192 CD GLN A 12 3.627 -15.565 -2.547 1.00 1.77 C ATOM 193 OE1 GLN A 12 3.289 -15.801 -3.690 1.00 2.35 O ATOM 194 NE2 GLN A 12 4.294 -16.457 -1.868 1.00 2.47 N ATOM 0 H GLN A 12 3.715 -12.572 0.097 1.00 0.15 H new ATOM 0 HA GLN A 12 1.181 -12.663 -1.146 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.824 -14.917 0.108 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.517 -15.146 -1.036 1.00 0.24 H new ATOM 0 HG2 GLN A 12 2.833 -13.555 -2.627 1.00 1.21 H new ATOM 0 HG3 GLN A 12 4.185 -13.741 -1.527 1.00 1.21 H new ATOM 0 HE21 GLN A 12 4.578 -16.260 -0.908 1.00 2.47 H new ATOM 0 HE22 GLN A 12 4.531 -17.352 -2.297 1.00 2.47 H new ATOM 203 N GLU A 13 1.153 -13.589 2.021 1.00 0.19 N ATOM 204 CA GLU A 13 0.223 -13.831 3.157 1.00 0.20 C ATOM 205 C GLU A 13 -0.699 -12.621 3.341 1.00 0.18 C ATOM 206 O GLU A 13 -1.866 -12.761 3.653 1.00 0.19 O ATOM 207 CB GLU A 13 1.037 -14.059 4.436 1.00 0.25 C ATOM 208 CG GLU A 13 1.560 -15.499 4.478 1.00 0.30 C ATOM 209 CD GLU A 13 2.235 -15.755 5.827 1.00 1.29 C ATOM 210 OE1 GLU A 13 1.533 -16.100 6.763 1.00 2.03 O ATOM 211 OE2 GLU A 13 3.442 -15.601 5.902 1.00 2.10 O ATOM 0 H GLU A 13 2.145 -13.617 2.259 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.384 -14.712 2.948 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.872 -13.359 4.474 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.417 -13.863 5.311 1.00 0.25 H new ATOM 0 HG2 GLU A 13 0.739 -16.200 4.331 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.269 -15.664 3.667 1.00 0.30 H new ATOM 218 N ALA A 14 -0.190 -11.433 3.160 1.00 0.18 N ATOM 219 CA ALA A 14 -1.046 -10.226 3.334 1.00 0.18 C ATOM 220 C ALA A 14 -2.225 -10.290 2.356 1.00 0.18 C ATOM 221 O ALA A 14 -3.360 -10.066 2.721 1.00 0.19 O ATOM 222 CB ALA A 14 -0.215 -8.971 3.057 1.00 0.20 C ATOM 0 H ALA A 14 0.779 -11.246 2.900 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.426 -10.191 4.355 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.839 -8.086 3.184 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.622 -8.928 3.754 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.165 -9.004 2.036 1.00 0.20 H new ATOM 228 N LEU A 15 -1.955 -10.594 1.115 1.00 0.17 N ATOM 229 CA LEU A 15 -3.046 -10.673 0.099 1.00 0.18 C ATOM 230 C LEU A 15 -4.018 -11.798 0.460 1.00 0.18 C ATOM 231 O LEU A 15 -5.219 -11.645 0.366 1.00 0.18 O ATOM 232 CB LEU A 15 -2.431 -10.941 -1.282 1.00 0.19 C ATOM 233 CG LEU A 15 -1.154 -10.106 -1.456 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.654 -10.235 -2.899 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.444 -8.630 -1.147 1.00 0.62 C ATOM 0 H LEU A 15 -1.020 -10.792 0.759 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.592 -9.730 0.080 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.200 -12.001 -1.387 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.148 -10.692 -2.064 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.392 -10.472 -0.768 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.252 -9.643 -3.024 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.437 -11.281 -3.117 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.421 -9.873 -3.584 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.532 -8.046 -1.273 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.210 -8.259 -1.828 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.796 -8.536 -0.120 1.00 0.62 H new ATOM 247 N ASP A 16 -3.512 -12.929 0.865 1.00 0.19 N ATOM 248 CA ASP A 16 -4.415 -14.058 1.222 1.00 0.21 C ATOM 249 C ASP A 16 -5.281 -13.662 2.420 1.00 0.20 C ATOM 250 O ASP A 16 -6.463 -13.941 2.462 1.00 0.20 O ATOM 251 CB ASP A 16 -3.579 -15.288 1.579 1.00 0.24 C ATOM 252 CG ASP A 16 -4.509 -16.449 1.942 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.373 -16.762 1.140 1.00 1.09 O ATOM 254 OD2 ASP A 16 -4.340 -17.003 3.015 1.00 1.07 O ATOM 0 H ASP A 16 -2.515 -13.120 0.964 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.057 -14.291 0.373 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.944 -15.566 0.738 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.918 -15.062 2.416 1.00 0.24 H new ATOM 259 N ALA A 17 -4.705 -13.013 3.395 1.00 0.22 N ATOM 260 CA ALA A 17 -5.501 -12.600 4.587 1.00 0.24 C ATOM 261 C ALA A 17 -6.314 -11.348 4.248 1.00 0.21 C ATOM 262 O ALA A 17 -7.202 -10.956 4.978 1.00 0.22 O ATOM 263 CB ALA A 17 -4.556 -12.296 5.750 1.00 0.30 C ATOM 0 H ALA A 17 -3.719 -12.751 3.418 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.177 -13.406 4.870 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -5.137 -11.994 6.621 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.977 -13.188 5.991 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.879 -11.489 5.468 1.00 0.30 H new ATOM 269 N ALA A 18 -6.017 -10.717 3.144 1.00 0.21 N ATOM 270 CA ALA A 18 -6.775 -9.492 2.761 1.00 0.22 C ATOM 271 C ALA A 18 -8.214 -9.869 2.403 1.00 0.21 C ATOM 272 O ALA A 18 -9.038 -9.019 2.131 1.00 0.24 O ATOM 273 CB ALA A 18 -6.102 -8.833 1.552 1.00 0.23 C ATOM 0 H ALA A 18 -5.284 -10.996 2.492 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.783 -8.794 3.598 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.656 -7.937 1.271 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.078 -8.561 1.809 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.093 -9.531 0.715 1.00 0.23 H new ATOM 279 N GLY A 19 -8.523 -11.137 2.397 1.00 0.22 N ATOM 280 CA GLY A 19 -9.909 -11.563 2.050 1.00 0.24 C ATOM 281 C GLY A 19 -10.196 -11.212 0.588 1.00 0.20 C ATOM 282 O GLY A 19 -9.595 -11.754 -0.319 1.00 0.28 O ATOM 0 H GLY A 19 -7.877 -11.895 2.617 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -10.022 -12.636 2.207 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.628 -11.068 2.703 1.00 0.24 H new ATOM 286 N ASP A 20 -11.109 -10.304 0.351 1.00 0.13 N ATOM 287 CA ASP A 20 -11.439 -9.909 -1.053 1.00 0.18 C ATOM 288 C ASP A 20 -11.581 -8.386 -1.132 1.00 0.15 C ATOM 289 O ASP A 20 -11.926 -7.836 -2.159 1.00 0.22 O ATOM 290 CB ASP A 20 -12.756 -10.570 -1.469 1.00 0.26 C ATOM 291 CG ASP A 20 -13.104 -10.169 -2.904 1.00 1.43 C ATOM 292 OD1 ASP A 20 -12.213 -9.723 -3.608 1.00 2.19 O ATOM 293 OD2 ASP A 20 -14.256 -10.317 -3.276 1.00 2.21 O ATOM 0 H ASP A 20 -11.642 -9.817 1.072 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.643 -10.234 -1.723 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -12.669 -11.654 -1.395 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -13.555 -10.267 -0.793 1.00 0.26 H new ATOM 298 N LYS A 21 -11.304 -7.700 -0.057 1.00 0.12 N ATOM 299 CA LYS A 21 -11.409 -6.216 -0.074 1.00 0.19 C ATOM 300 C LYS A 21 -10.264 -5.644 -0.902 1.00 0.15 C ATOM 301 O LYS A 21 -9.318 -6.330 -1.230 1.00 0.15 O ATOM 302 CB LYS A 21 -11.319 -5.690 1.363 1.00 0.27 C ATOM 303 CG LYS A 21 -12.679 -5.845 2.054 1.00 0.29 C ATOM 304 CD LYS A 21 -12.501 -5.742 3.573 1.00 0.30 C ATOM 305 CE LYS A 21 -13.857 -5.488 4.234 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.753 -5.741 5.697 1.00 1.90 N ATOM 0 H LYS A 21 -11.010 -8.104 0.832 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.360 -5.914 -0.512 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.555 -6.238 1.914 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.019 -4.642 1.359 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.365 -5.073 1.705 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.122 -6.806 1.794 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -12.063 -6.662 3.961 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.811 -4.934 3.814 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.174 -4.461 4.054 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.614 -6.137 3.795 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.675 -5.568 6.146 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.469 -6.728 5.859 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.042 -5.104 6.110 1.00 1.90 H new ATOM 320 N LEU A 22 -10.340 -4.389 -1.242 1.00 0.13 N ATOM 321 CA LEU A 22 -9.257 -3.778 -2.045 1.00 0.11 C ATOM 322 C LEU A 22 -7.959 -3.847 -1.236 1.00 0.10 C ATOM 323 O LEU A 22 -7.979 -3.996 -0.029 1.00 0.11 O ATOM 324 CB LEU A 22 -9.623 -2.314 -2.339 1.00 0.12 C ATOM 325 CG LEU A 22 -9.636 -2.028 -3.850 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.874 -0.526 -4.066 1.00 0.17 C ATOM 327 CD2 LEU A 22 -8.293 -2.433 -4.489 1.00 0.11 C ATOM 0 H LEU A 22 -11.107 -3.763 -0.997 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.126 -4.308 -2.988 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.603 -2.091 -1.917 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -8.908 -1.654 -1.849 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.431 -2.608 -4.319 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.885 -0.309 -5.134 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.831 -0.243 -3.628 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.075 0.041 -3.589 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -8.321 -2.223 -5.558 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.485 -1.864 -4.029 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -8.122 -3.498 -4.332 1.00 0.11 H new ATOM 339 N VAL A 23 -6.832 -3.737 -1.886 1.00 0.08 N ATOM 340 CA VAL A 23 -5.534 -3.794 -1.155 1.00 0.09 C ATOM 341 C VAL A 23 -4.547 -2.821 -1.799 1.00 0.08 C ATOM 342 O VAL A 23 -3.986 -3.092 -2.841 1.00 0.09 O ATOM 343 CB VAL A 23 -4.969 -5.217 -1.228 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.841 -5.380 -0.206 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.083 -6.229 -0.933 1.00 0.10 C ATOM 0 H VAL A 23 -6.754 -3.610 -2.895 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.690 -3.518 -0.112 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.574 -5.396 -2.228 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.443 -6.393 -0.262 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.047 -4.666 -0.423 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.229 -5.197 0.796 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.679 -7.240 -0.985 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.483 -6.049 0.065 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.880 -6.118 -1.669 1.00 0.10 H new ATOM 355 N VAL A 24 -4.323 -1.690 -1.180 1.00 0.08 N ATOM 356 CA VAL A 24 -3.365 -0.697 -1.743 1.00 0.08 C ATOM 357 C VAL A 24 -2.047 -0.807 -0.980 1.00 0.08 C ATOM 358 O VAL A 24 -2.027 -0.888 0.232 1.00 0.08 O ATOM 359 CB VAL A 24 -3.941 0.715 -1.596 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.166 1.682 -2.496 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.421 0.706 -1.999 1.00 0.09 C ATOM 0 H VAL A 24 -4.766 -1.412 -0.304 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.196 -0.896 -2.801 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.850 1.039 -0.559 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.577 2.686 -2.390 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.116 1.687 -2.205 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.253 1.362 -3.534 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.833 1.710 -1.895 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.514 0.381 -3.035 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -5.970 0.020 -1.353 1.00 0.09 H new ATOM 371 N VAL A 25 -0.949 -0.836 -1.686 1.00 0.09 N ATOM 372 CA VAL A 25 0.378 -0.972 -1.019 1.00 0.09 C ATOM 373 C VAL A 25 1.156 0.333 -1.140 1.00 0.10 C ATOM 374 O VAL A 25 1.224 0.931 -2.194 1.00 0.17 O ATOM 375 CB VAL A 25 1.174 -2.084 -1.705 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.373 -2.473 -0.835 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.279 -3.307 -1.915 1.00 0.09 C ATOM 0 H VAL A 25 -0.914 -0.771 -2.703 1.00 0.09 H new ATOM 0 HA VAL A 25 0.226 -1.210 0.034 1.00 0.09 H new ATOM 0 HB VAL A 25 1.528 -1.725 -2.671 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.938 -3.265 -1.327 1.00 0.12 H new ATOM 0 HG12 VAL A 25 3.016 -1.604 -0.692 1.00 0.12 H new ATOM 0 HG13 VAL A 25 2.020 -2.827 0.134 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.850 -4.096 -2.404 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.081 -3.664 -0.950 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.570 -3.033 -2.541 1.00 0.09 H new ATOM 387 N ASP A 26 1.763 0.762 -0.069 1.00 0.08 N ATOM 388 CA ASP A 26 2.567 2.015 -0.102 1.00 0.08 C ATOM 389 C ASP A 26 4.051 1.646 -0.090 1.00 0.08 C ATOM 390 O ASP A 26 4.608 1.311 0.938 1.00 0.09 O ATOM 391 CB ASP A 26 2.234 2.865 1.130 1.00 0.09 C ATOM 392 CG ASP A 26 3.255 3.999 1.273 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.219 4.908 0.462 1.00 0.96 O ATOM 394 OD2 ASP A 26 4.058 3.933 2.189 1.00 0.93 O ATOM 0 H ASP A 26 1.736 0.293 0.837 1.00 0.08 H new ATOM 0 HA ASP A 26 2.337 2.585 -1.002 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.230 3.278 1.037 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.241 2.243 2.025 1.00 0.09 H new ATOM 399 N PHE A 27 4.701 1.712 -1.220 1.00 0.08 N ATOM 400 CA PHE A 27 6.152 1.375 -1.266 1.00 0.09 C ATOM 401 C PHE A 27 6.941 2.641 -0.938 1.00 0.11 C ATOM 402 O PHE A 27 7.402 3.337 -1.819 1.00 0.13 O ATOM 403 CB PHE A 27 6.518 0.910 -2.679 1.00 0.10 C ATOM 404 CG PHE A 27 6.109 -0.533 -2.891 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.787 -0.849 -3.248 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.059 -1.558 -2.752 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.418 -2.189 -3.463 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.691 -2.896 -2.970 1.00 0.21 C ATOM 409 CZ PHE A 27 5.370 -3.211 -3.325 1.00 0.23 C ATOM 0 H PHE A 27 4.290 1.985 -2.113 1.00 0.08 H new ATOM 0 HA PHE A 27 6.382 0.583 -0.553 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.025 1.545 -3.415 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.592 1.016 -2.835 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.054 -0.063 -3.357 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.075 -1.317 -2.477 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.401 -2.432 -3.735 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.424 -3.682 -2.865 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.086 -4.240 -3.492 1.00 0.23 H new ATOM 419 N SER A 28 7.075 2.952 0.324 1.00 0.11 N ATOM 420 CA SER A 28 7.813 4.184 0.734 1.00 0.12 C ATOM 421 C SER A 28 9.099 3.798 1.463 1.00 0.10 C ATOM 422 O SER A 28 9.321 2.649 1.789 1.00 0.11 O ATOM 423 CB SER A 28 6.927 5.003 1.675 1.00 0.17 C ATOM 424 OG SER A 28 5.884 5.611 0.924 1.00 1.03 O ATOM 0 H SER A 28 6.701 2.400 1.096 1.00 0.11 H new ATOM 0 HA SER A 28 8.063 4.770 -0.150 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.507 4.361 2.449 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.520 5.766 2.180 1.00 0.17 H new ATOM 0 HG SER A 28 5.313 6.136 1.523 1.00 1.03 H new ATOM 430 N ALA A 29 9.940 4.763 1.732 1.00 0.10 N ATOM 431 CA ALA A 29 11.217 4.488 2.458 1.00 0.15 C ATOM 432 C ALA A 29 11.156 5.150 3.838 1.00 0.18 C ATOM 433 O ALA A 29 10.863 6.323 3.962 1.00 0.26 O ATOM 434 CB ALA A 29 12.386 5.065 1.654 1.00 0.19 C ATOM 0 H ALA A 29 9.795 5.740 1.477 1.00 0.10 H new ATOM 0 HA ALA A 29 11.359 3.414 2.577 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.321 4.868 2.179 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.416 4.598 0.670 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.254 6.141 1.541 1.00 0.19 H new ATOM 440 N THR A 30 11.416 4.404 4.876 1.00 0.18 N ATOM 441 CA THR A 30 11.360 4.983 6.249 1.00 0.23 C ATOM 442 C THR A 30 12.469 6.024 6.433 1.00 0.26 C ATOM 443 O THR A 30 12.370 6.906 7.262 1.00 0.31 O ATOM 444 CB THR A 30 11.536 3.862 7.281 1.00 0.26 C ATOM 445 OG1 THR A 30 11.379 4.398 8.587 1.00 0.32 O ATOM 446 CG2 THR A 30 12.931 3.243 7.147 1.00 0.28 C ATOM 0 H THR A 30 11.665 3.416 4.833 1.00 0.18 H new ATOM 0 HA THR A 30 10.394 5.468 6.390 1.00 0.23 H new ATOM 0 HB THR A 30 10.786 3.091 7.107 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.489 3.684 9.249 1.00 0.32 H new ATOM 0 HG21 THR A 30 13.048 2.448 7.883 1.00 0.28 H new ATOM 0 HG22 THR A 30 13.051 2.831 6.145 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.687 4.009 7.317 1.00 0.28 H new ATOM 454 N TRP A 31 13.534 5.918 5.683 1.00 0.26 N ATOM 455 CA TRP A 31 14.658 6.893 5.834 1.00 0.32 C ATOM 456 C TRP A 31 14.432 8.102 4.923 1.00 0.32 C ATOM 457 O TRP A 31 15.091 9.114 5.051 1.00 0.36 O ATOM 458 CB TRP A 31 15.974 6.206 5.451 1.00 0.34 C ATOM 459 CG TRP A 31 15.990 5.932 3.983 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.594 4.777 3.402 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.410 6.814 2.903 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.741 4.893 2.030 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.242 6.128 1.672 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.918 8.129 2.871 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.564 6.731 0.449 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.244 8.738 1.644 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.067 8.041 0.435 1.00 0.40 C ATOM 0 H TRP A 31 13.676 5.200 4.973 1.00 0.26 H new ATOM 0 HA TRP A 31 14.703 7.232 6.869 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.818 6.840 5.722 1.00 0.34 H new ATOM 0 HB3 TRP A 31 16.084 5.274 6.006 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.224 3.906 3.923 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.507 4.156 1.365 1.00 0.25 H new ATOM 0 HE3 TRP A 31 17.058 8.673 3.794 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.426 6.191 -0.476 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.632 9.746 1.631 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.318 8.514 -0.503 1.00 0.40 H new ATOM 478 N CYS A 32 13.517 8.001 3.994 1.00 0.28 N ATOM 479 CA CYS A 32 13.262 9.139 3.063 1.00 0.30 C ATOM 480 C CYS A 32 12.042 9.931 3.552 1.00 0.31 C ATOM 481 O CYS A 32 10.998 9.377 3.831 1.00 0.29 O ATOM 482 CB CYS A 32 13.019 8.580 1.656 1.00 0.28 C ATOM 483 SG CYS A 32 13.582 9.770 0.413 1.00 0.32 S ATOM 0 H CYS A 32 12.935 7.178 3.840 1.00 0.28 H new ATOM 0 HA CYS A 32 14.121 9.810 3.036 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.549 7.636 1.534 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.958 8.370 1.517 1.00 0.28 H new ATOM 488 N GLY A 33 12.184 11.222 3.677 1.00 0.34 N ATOM 489 CA GLY A 33 11.058 12.068 4.168 1.00 0.36 C ATOM 490 C GLY A 33 9.946 12.184 3.111 1.00 0.35 C ATOM 491 O GLY A 33 8.795 11.958 3.419 1.00 0.33 O ATOM 0 H GLY A 33 13.040 11.732 3.458 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.650 11.639 5.083 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.429 13.062 4.419 1.00 0.36 H new ATOM 495 N PRO A 34 10.312 12.557 1.906 1.00 0.37 N ATOM 496 CA PRO A 34 9.337 12.742 0.809 1.00 0.38 C ATOM 497 C PRO A 34 8.381 11.548 0.709 1.00 0.35 C ATOM 498 O PRO A 34 7.224 11.700 0.370 1.00 0.36 O ATOM 499 CB PRO A 34 10.208 12.888 -0.456 1.00 0.42 C ATOM 500 CG PRO A 34 11.659 13.152 0.025 1.00 0.44 C ATOM 501 CD PRO A 34 11.718 12.815 1.526 1.00 0.40 C ATOM 0 HA PRO A 34 8.694 13.609 0.963 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.161 11.984 -1.064 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.852 13.709 -1.078 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.366 12.538 -0.534 1.00 0.44 H new ATOM 0 HG3 PRO A 34 11.936 14.192 -0.145 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.345 11.943 1.712 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.139 13.640 2.101 1.00 0.40 H new ATOM 509 N ALA A 35 8.842 10.368 1.013 1.00 0.33 N ATOM 510 CA ALA A 35 7.939 9.185 0.945 1.00 0.32 C ATOM 511 C ALA A 35 7.060 9.161 2.200 1.00 0.39 C ATOM 512 O ALA A 35 5.852 9.265 2.131 1.00 0.81 O ATOM 513 CB ALA A 35 8.781 7.905 0.867 1.00 0.36 C ATOM 0 H ALA A 35 9.800 10.171 1.304 1.00 0.33 H new ATOM 0 HA ALA A 35 7.306 9.246 0.059 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.122 7.038 0.817 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.408 7.936 -0.024 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.412 7.830 1.752 1.00 0.36 H new ATOM 519 N LYS A 36 7.669 9.033 3.345 1.00 0.30 N ATOM 520 CA LYS A 36 6.895 9.009 4.619 1.00 0.28 C ATOM 521 C LYS A 36 6.099 10.308 4.780 1.00 0.24 C ATOM 522 O LYS A 36 5.196 10.396 5.587 1.00 0.25 O ATOM 523 CB LYS A 36 7.877 8.869 5.788 1.00 0.35 C ATOM 524 CG LYS A 36 7.128 9.008 7.122 1.00 0.38 C ATOM 525 CD LYS A 36 7.986 8.457 8.266 1.00 0.49 C ATOM 526 CE LYS A 36 9.355 9.147 8.270 1.00 1.22 C ATOM 527 NZ LYS A 36 9.177 10.612 8.060 1.00 1.92 N ATOM 0 H LYS A 36 8.679 8.943 3.455 1.00 0.30 H new ATOM 0 HA LYS A 36 6.200 8.170 4.605 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.376 7.901 5.741 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.653 9.631 5.716 1.00 0.35 H new ATOM 0 HG2 LYS A 36 6.890 10.055 7.307 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.181 8.470 7.075 1.00 0.38 H new ATOM 0 HD2 LYS A 36 7.484 8.620 9.220 1.00 0.49 H new ATOM 0 HD3 LYS A 36 8.112 7.380 8.152 1.00 0.49 H new ATOM 0 HE2 LYS A 36 9.863 8.964 9.217 1.00 1.22 H new ATOM 0 HE3 LYS A 36 9.986 8.731 7.484 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 9.969 11.124 8.497 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 9.153 10.816 7.041 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 8.284 10.919 8.495 1.00 1.92 H new ATOM 541 N MET A 37 6.444 11.323 4.041 1.00 0.23 N ATOM 542 CA MET A 37 5.725 12.624 4.178 1.00 0.24 C ATOM 543 C MET A 37 4.228 12.434 3.918 1.00 0.20 C ATOM 544 O MET A 37 3.413 13.228 4.347 1.00 0.20 O ATOM 545 CB MET A 37 6.301 13.622 3.162 1.00 0.29 C ATOM 546 CG MET A 37 5.480 14.919 3.157 1.00 1.31 C ATOM 547 SD MET A 37 5.409 15.605 4.831 1.00 2.12 S ATOM 548 CE MET A 37 4.286 16.975 4.470 1.00 3.13 C ATOM 0 H MET A 37 7.192 11.311 3.348 1.00 0.23 H new ATOM 0 HA MET A 37 5.858 13.004 5.191 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.339 13.843 3.409 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.298 13.179 2.166 1.00 0.29 H new ATOM 0 HG2 MET A 37 5.929 15.642 2.476 1.00 1.31 H new ATOM 0 HG3 MET A 37 4.472 14.721 2.792 1.00 1.31 H new ATOM 0 HE1 MET A 37 4.101 17.544 5.381 1.00 3.13 H new ATOM 0 HE2 MET A 37 4.736 17.626 3.721 1.00 3.13 H new ATOM 0 HE3 MET A 37 3.343 16.582 4.090 1.00 3.13 H new ATOM 558 N ILE A 38 3.863 11.414 3.192 1.00 0.18 N ATOM 559 CA ILE A 38 2.423 11.192 2.867 1.00 0.15 C ATOM 560 C ILE A 38 1.802 10.154 3.805 1.00 0.16 C ATOM 561 O ILE A 38 0.700 9.692 3.587 1.00 0.16 O ATOM 562 CB ILE A 38 2.322 10.692 1.421 1.00 0.16 C ATOM 563 CG1 ILE A 38 2.885 11.768 0.480 1.00 0.17 C ATOM 564 CG2 ILE A 38 0.852 10.396 1.066 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.021 11.210 -0.949 1.00 0.28 C ATOM 0 H ILE A 38 4.503 10.720 2.807 1.00 0.18 H new ATOM 0 HA ILE A 38 1.882 12.130 2.990 1.00 0.15 H new ATOM 0 HB ILE A 38 2.897 9.772 1.311 1.00 0.16 H new ATOM 0 HG12 ILE A 38 2.228 12.638 0.477 1.00 0.17 H new ATOM 0 HG13 ILE A 38 3.857 12.104 0.841 1.00 0.17 H new ATOM 0 HG21 ILE A 38 0.790 10.041 0.037 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.463 9.631 1.737 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.262 11.306 1.172 1.00 0.17 H new ATOM 0 HD11 ILE A 38 3.421 11.983 -1.605 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.696 10.354 -0.943 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.042 10.897 -1.312 1.00 0.28 H new ATOM 577 N LYS A 39 2.492 9.768 4.840 1.00 0.19 N ATOM 578 CA LYS A 39 1.914 8.744 5.750 1.00 0.22 C ATOM 579 C LYS A 39 0.626 9.234 6.446 1.00 0.20 C ATOM 580 O LYS A 39 -0.250 8.436 6.687 1.00 0.21 O ATOM 581 CB LYS A 39 2.964 8.270 6.779 1.00 0.31 C ATOM 582 CG LYS A 39 3.099 9.242 7.968 1.00 0.34 C ATOM 583 CD LYS A 39 3.744 8.530 9.160 1.00 0.45 C ATOM 584 CE LYS A 39 2.778 7.496 9.756 1.00 1.16 C ATOM 585 NZ LYS A 39 3.089 6.155 9.190 1.00 1.62 N ATOM 0 H LYS A 39 3.418 10.112 5.093 1.00 0.19 H new ATOM 0 HA LYS A 39 1.628 7.891 5.134 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.687 7.283 7.149 1.00 0.31 H new ATOM 0 HB3 LYS A 39 3.931 8.166 6.286 1.00 0.31 H new ATOM 0 HG2 LYS A 39 3.703 10.102 7.678 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.117 9.623 8.250 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.663 8.037 8.843 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.020 9.260 9.921 1.00 0.45 H new ATOM 0 HE2 LYS A 39 2.871 7.477 10.842 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.748 7.770 9.529 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.240 5.766 8.732 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.852 6.243 8.488 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.393 5.518 9.954 1.00 1.62 H new ATOM 599 N PRO A 40 0.525 10.505 6.785 1.00 0.20 N ATOM 600 CA PRO A 40 -0.674 10.993 7.493 1.00 0.21 C ATOM 601 C PRO A 40 -1.923 10.794 6.631 1.00 0.17 C ATOM 602 O PRO A 40 -3.028 11.040 7.068 1.00 0.20 O ATOM 603 CB PRO A 40 -0.410 12.483 7.750 1.00 0.24 C ATOM 604 CG PRO A 40 1.003 12.811 7.210 1.00 0.25 C ATOM 605 CD PRO A 40 1.533 11.557 6.498 1.00 0.21 C ATOM 0 HA PRO A 40 -0.853 10.452 8.422 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -1.161 13.096 7.252 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.473 12.704 8.815 1.00 0.24 H new ATOM 0 HG2 PRO A 40 0.963 13.654 6.520 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.667 13.097 8.025 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.636 11.724 5.426 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.517 11.275 6.873 1.00 0.21 H new ATOM 613 N PHE A 41 -1.753 10.362 5.410 1.00 0.14 N ATOM 614 CA PHE A 41 -2.923 10.145 4.507 1.00 0.14 C ATOM 615 C PHE A 41 -3.091 8.651 4.240 1.00 0.11 C ATOM 616 O PHE A 41 -3.985 8.018 4.757 1.00 0.13 O ATOM 617 CB PHE A 41 -2.684 10.872 3.185 1.00 0.15 C ATOM 618 CG PHE A 41 -3.014 12.335 3.355 1.00 0.19 C ATOM 619 CD1 PHE A 41 -2.073 13.202 3.931 1.00 0.19 C ATOM 620 CD2 PHE A 41 -4.265 12.823 2.942 1.00 0.26 C ATOM 621 CE1 PHE A 41 -2.383 14.564 4.092 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.576 14.183 3.102 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.634 15.055 3.677 1.00 0.27 C ATOM 0 H PHE A 41 -0.846 10.148 4.995 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.825 10.533 4.981 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.646 10.755 2.875 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.302 10.437 2.400 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -1.113 12.824 4.250 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.988 12.152 2.501 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.660 15.233 4.535 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.537 14.559 2.784 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.871 16.101 3.800 1.00 0.27 H new ATOM 633 N PHE A 42 -2.238 8.092 3.428 1.00 0.10 N ATOM 634 CA PHE A 42 -2.343 6.641 3.100 1.00 0.11 C ATOM 635 C PHE A 42 -2.565 5.826 4.379 1.00 0.11 C ATOM 636 O PHE A 42 -3.526 5.090 4.494 1.00 0.12 O ATOM 637 CB PHE A 42 -1.046 6.199 2.416 1.00 0.13 C ATOM 638 CG PHE A 42 -1.024 4.696 2.263 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.686 4.094 1.183 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.335 3.903 3.196 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.657 2.698 1.033 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.308 2.506 3.048 1.00 0.10 C ATOM 643 CZ PHE A 42 -0.969 1.904 1.965 1.00 0.10 C ATOM 0 H PHE A 42 -1.467 8.581 2.974 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.189 6.474 2.434 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.962 6.673 1.438 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.187 6.525 3.003 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.218 4.704 0.467 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.174 4.368 4.027 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.164 2.234 0.200 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.220 1.896 3.766 1.00 0.10 H new ATOM 0 HZ PHE A 42 -0.948 0.830 1.849 1.00 0.10 H new ATOM 653 N HIS A 43 -1.696 5.957 5.339 1.00 0.14 N ATOM 654 CA HIS A 43 -1.871 5.195 6.607 1.00 0.16 C ATOM 655 C HIS A 43 -3.120 5.699 7.345 1.00 0.16 C ATOM 656 O HIS A 43 -3.795 4.946 8.016 1.00 0.18 O ATOM 657 CB HIS A 43 -0.604 5.366 7.466 1.00 0.21 C ATOM 658 CG HIS A 43 -0.924 5.218 8.928 1.00 0.27 C ATOM 659 ND1 HIS A 43 -0.746 4.026 9.611 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.438 6.105 9.842 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.150 4.223 10.878 1.00 0.41 C ATOM 662 NE2 HIS A 43 -1.584 5.472 11.073 1.00 0.39 N ATOM 0 H HIS A 43 -0.872 6.558 5.302 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.012 4.135 6.398 1.00 0.16 H new ATOM 0 HB2 HIS A 43 0.140 4.624 7.175 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.165 6.347 7.283 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.690 7.135 9.637 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.127 3.464 11.646 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -1.945 5.875 11.938 1.00 0.39 H new ATOM 670 N SER A 44 -3.433 6.960 7.227 1.00 0.20 N ATOM 671 CA SER A 44 -4.641 7.496 7.923 1.00 0.25 C ATOM 672 C SER A 44 -5.914 6.860 7.354 1.00 0.20 C ATOM 673 O SER A 44 -6.855 6.594 8.076 1.00 0.21 O ATOM 674 CB SER A 44 -4.706 9.010 7.740 1.00 0.34 C ATOM 675 OG SER A 44 -3.853 9.631 8.693 1.00 0.97 O ATOM 0 H SER A 44 -2.907 7.642 6.681 1.00 0.20 H new ATOM 0 HA SER A 44 -4.570 7.254 8.983 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.400 9.280 6.729 1.00 0.34 H new ATOM 0 HB3 SER A 44 -5.730 9.361 7.867 1.00 0.34 H new ATOM 0 HG SER A 44 -3.462 10.441 8.303 1.00 0.97 H new ATOM 681 N LEU A 45 -5.968 6.635 6.065 1.00 0.18 N ATOM 682 CA LEU A 45 -7.200 6.038 5.462 1.00 0.18 C ATOM 683 C LEU A 45 -7.618 4.804 6.265 1.00 0.16 C ATOM 684 O LEU A 45 -8.729 4.327 6.155 1.00 0.23 O ATOM 685 CB LEU A 45 -6.924 5.623 4.011 1.00 0.19 C ATOM 686 CG LEU A 45 -6.514 6.839 3.165 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.295 6.390 1.714 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.609 7.920 3.218 1.00 0.50 C ATOM 0 H LEU A 45 -5.216 6.838 5.406 1.00 0.18 H new ATOM 0 HA LEU A 45 -7.999 6.779 5.482 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.133 4.874 3.986 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.814 5.161 3.584 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.591 7.261 3.563 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -6.004 7.248 1.108 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.507 5.638 1.681 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.219 5.965 1.321 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.305 8.775 2.615 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.541 7.513 2.827 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.757 8.238 4.250 1.00 0.50 H new ATOM 700 N SER A 46 -6.739 4.289 7.075 1.00 0.20 N ATOM 701 CA SER A 46 -7.086 3.090 7.887 1.00 0.25 C ATOM 702 C SER A 46 -8.317 3.379 8.752 1.00 0.17 C ATOM 703 O SER A 46 -9.066 2.484 9.092 1.00 0.15 O ATOM 704 CB SER A 46 -5.904 2.741 8.792 1.00 0.36 C ATOM 705 OG SER A 46 -4.715 2.718 8.016 1.00 0.51 O ATOM 0 H SER A 46 -5.793 4.646 7.211 1.00 0.20 H new ATOM 0 HA SER A 46 -7.307 2.256 7.221 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.815 3.474 9.594 1.00 0.36 H new ATOM 0 HB3 SER A 46 -6.064 1.771 9.263 1.00 0.36 H new ATOM 0 HG SER A 46 -4.130 3.455 8.291 1.00 0.51 H new ATOM 711 N GLU A 47 -8.521 4.615 9.129 1.00 0.21 N ATOM 712 CA GLU A 47 -9.693 4.955 9.995 1.00 0.21 C ATOM 713 C GLU A 47 -10.856 5.461 9.140 1.00 0.18 C ATOM 714 O GLU A 47 -12.003 5.387 9.538 1.00 0.18 O ATOM 715 CB GLU A 47 -9.288 6.048 10.988 1.00 0.32 C ATOM 716 CG GLU A 47 -8.038 5.611 11.757 1.00 0.39 C ATOM 717 CD GLU A 47 -8.379 4.426 12.663 1.00 1.24 C ATOM 718 OE1 GLU A 47 -9.489 4.392 13.167 1.00 2.00 O ATOM 719 OE2 GLU A 47 -7.525 3.573 12.836 1.00 1.98 O ATOM 0 H GLU A 47 -7.927 5.405 8.875 1.00 0.21 H new ATOM 0 HA GLU A 47 -10.008 4.060 10.531 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.093 6.980 10.458 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -10.105 6.242 11.683 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.249 5.332 11.059 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.658 6.440 12.354 1.00 0.39 H new ATOM 726 N LYS A 48 -10.581 5.979 7.972 1.00 0.18 N ATOM 727 CA LYS A 48 -11.685 6.490 7.107 1.00 0.17 C ATOM 728 C LYS A 48 -12.181 5.361 6.200 1.00 0.15 C ATOM 729 O LYS A 48 -13.285 5.402 5.690 1.00 0.18 O ATOM 730 CB LYS A 48 -11.167 7.652 6.250 1.00 0.21 C ATOM 731 CG LYS A 48 -12.350 8.450 5.692 1.00 0.26 C ATOM 732 CD LYS A 48 -11.840 9.499 4.701 1.00 1.09 C ATOM 733 CE LYS A 48 -13.003 10.389 4.253 1.00 1.51 C ATOM 734 NZ LYS A 48 -12.509 11.386 3.262 1.00 2.16 N ATOM 0 H LYS A 48 -9.644 6.070 7.581 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.507 6.842 7.731 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.528 8.301 6.849 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.556 7.269 5.432 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -13.053 7.780 5.198 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.890 8.935 6.505 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -11.062 10.105 5.166 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -11.389 9.010 3.837 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -13.792 9.780 3.811 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -13.438 10.899 5.113 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -13.297 11.992 2.956 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -11.770 11.973 3.699 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -12.114 10.890 2.438 1.00 2.16 H new ATOM 748 N TYR A 49 -11.375 4.350 6.003 1.00 0.13 N ATOM 749 CA TYR A 49 -11.790 3.205 5.137 1.00 0.13 C ATOM 750 C TYR A 49 -11.434 1.887 5.827 1.00 0.11 C ATOM 751 O TYR A 49 -10.595 1.138 5.365 1.00 0.11 O ATOM 752 CB TYR A 49 -11.064 3.293 3.791 1.00 0.15 C ATOM 753 CG TYR A 49 -11.749 4.323 2.921 1.00 0.16 C ATOM 754 CD1 TYR A 49 -13.010 4.041 2.372 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.135 5.561 2.669 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.657 4.994 1.570 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.781 6.515 1.868 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.043 6.233 1.318 1.00 0.21 C ATOM 759 OH TYR A 49 -13.680 7.171 0.531 1.00 0.24 O ATOM 0 H TYR A 49 -10.442 4.268 6.407 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.866 3.247 4.971 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.020 3.566 3.945 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.070 2.321 3.297 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.483 3.090 2.567 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.165 5.779 3.092 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.626 4.775 1.147 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.308 7.466 1.674 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.120 7.972 0.458 1.00 0.24 H new ATOM 769 N SER A 50 -12.078 1.589 6.920 1.00 0.12 N ATOM 770 CA SER A 50 -11.790 0.311 7.625 1.00 0.13 C ATOM 771 C SER A 50 -12.250 -0.852 6.747 1.00 0.13 C ATOM 772 O SER A 50 -12.079 -2.007 7.083 1.00 0.14 O ATOM 773 CB SER A 50 -12.545 0.278 8.954 1.00 0.16 C ATOM 774 OG SER A 50 -13.942 0.337 8.701 1.00 0.17 O ATOM 0 H SER A 50 -12.791 2.175 7.355 1.00 0.12 H new ATOM 0 HA SER A 50 -10.721 0.228 7.819 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.301 -0.632 9.502 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.241 1.118 9.579 1.00 0.16 H new ATOM 0 HG SER A 50 -14.430 0.314 9.551 1.00 0.17 H new ATOM 780 N ASN A 51 -12.846 -0.549 5.622 1.00 0.13 N ATOM 781 CA ASN A 51 -13.338 -1.620 4.708 1.00 0.15 C ATOM 782 C ASN A 51 -12.286 -1.899 3.632 1.00 0.13 C ATOM 783 O ASN A 51 -12.443 -2.786 2.817 1.00 0.14 O ATOM 784 CB ASN A 51 -14.636 -1.153 4.046 1.00 0.17 C ATOM 785 CG ASN A 51 -15.196 -2.265 3.157 1.00 0.20 C ATOM 786 OD1 ASN A 51 -15.986 -3.075 3.600 1.00 0.34 O ATOM 787 ND2 ASN A 51 -14.823 -2.336 1.908 1.00 0.32 N ATOM 0 H ASN A 51 -13.013 0.403 5.296 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.521 -2.532 5.275 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.366 -0.882 4.808 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.450 -0.259 3.451 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -15.195 -3.071 1.306 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -14.160 -1.657 1.534 1.00 0.32 H new ATOM 794 N VAL A 52 -11.209 -1.154 3.634 1.00 0.11 N ATOM 795 CA VAL A 52 -10.128 -1.370 2.624 1.00 0.10 C ATOM 796 C VAL A 52 -8.856 -1.808 3.347 1.00 0.10 C ATOM 797 O VAL A 52 -8.644 -1.482 4.499 1.00 0.11 O ATOM 798 CB VAL A 52 -9.864 -0.065 1.868 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.698 -0.259 0.890 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.126 0.330 1.096 1.00 0.12 C ATOM 0 H VAL A 52 -11.031 -0.400 4.297 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.434 -2.139 1.914 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.606 0.723 2.576 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.514 0.672 0.354 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.803 -0.543 1.443 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.948 -1.044 0.177 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.946 1.259 0.555 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.381 -0.459 0.388 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.951 0.471 1.795 1.00 0.12 H new ATOM 810 N ILE A 53 -8.011 -2.559 2.688 1.00 0.09 N ATOM 811 CA ILE A 53 -6.756 -3.038 3.341 1.00 0.09 C ATOM 812 C ILE A 53 -5.568 -2.203 2.853 1.00 0.09 C ATOM 813 O ILE A 53 -5.382 -2.004 1.668 1.00 0.14 O ATOM 814 CB ILE A 53 -6.524 -4.510 2.975 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.852 -5.284 3.050 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.494 -5.131 3.927 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.545 -5.077 4.407 1.00 0.17 C ATOM 0 H ILE A 53 -8.137 -2.862 1.722 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.850 -2.936 4.422 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.140 -4.568 1.957 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.513 -4.955 2.248 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.665 -6.346 2.893 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.335 -6.176 3.660 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.552 -4.589 3.847 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.862 -5.070 4.951 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.480 -5.637 4.427 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -7.893 -5.430 5.206 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.754 -4.017 4.551 1.00 0.17 H new ATOM 829 N PHE A 54 -4.760 -1.721 3.761 1.00 0.08 N ATOM 830 CA PHE A 54 -3.570 -0.902 3.376 1.00 0.08 C ATOM 831 C PHE A 54 -2.303 -1.618 3.834 1.00 0.08 C ATOM 832 O PHE A 54 -2.207 -2.071 4.959 1.00 0.11 O ATOM 833 CB PHE A 54 -3.650 0.462 4.059 1.00 0.08 C ATOM 834 CG PHE A 54 -4.932 1.147 3.655 1.00 0.08 C ATOM 835 CD1 PHE A 54 -5.091 1.599 2.336 1.00 0.09 C ATOM 836 CD2 PHE A 54 -5.969 1.328 4.589 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.281 2.235 1.949 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.160 1.965 4.201 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.316 2.418 2.880 1.00 0.09 C ATOM 0 H PHE A 54 -4.875 -1.861 4.765 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.551 -0.768 2.294 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.614 0.342 5.142 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.793 1.074 3.777 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.297 1.457 1.618 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.850 0.977 5.604 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.401 2.584 0.934 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.955 2.106 4.918 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.232 2.907 2.581 1.00 0.09 H new ATOM 849 N LEU A 55 -1.329 -1.733 2.970 1.00 0.08 N ATOM 850 CA LEU A 55 -0.057 -2.430 3.337 1.00 0.09 C ATOM 851 C LEU A 55 1.092 -1.421 3.325 1.00 0.09 C ATOM 852 O LEU A 55 0.937 -0.288 2.913 1.00 0.10 O ATOM 853 CB LEU A 55 0.237 -3.537 2.309 1.00 0.10 C ATOM 854 CG LEU A 55 -0.582 -4.803 2.616 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.069 -4.457 2.785 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.417 -5.798 1.461 1.00 0.12 C ATOM 0 H LEU A 55 -1.359 -1.371 2.017 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.156 -2.868 4.330 1.00 0.09 H new ATOM 0 HB2 LEU A 55 0.000 -3.180 1.307 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.301 -3.776 2.320 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.220 -5.243 3.545 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.632 -5.365 3.002 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.187 -3.752 3.608 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.445 -4.008 1.866 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -0.995 -6.698 1.671 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.775 -5.345 0.536 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.636 -6.059 1.353 1.00 0.12 H new ATOM 868 N GLU A 56 2.248 -1.834 3.768 1.00 0.09 N ATOM 869 CA GLU A 56 3.429 -0.924 3.784 1.00 0.09 C ATOM 870 C GLU A 56 4.668 -1.754 3.450 1.00 0.09 C ATOM 871 O GLU A 56 4.791 -2.888 3.870 1.00 0.10 O ATOM 872 CB GLU A 56 3.570 -0.291 5.176 1.00 0.09 C ATOM 873 CG GLU A 56 4.489 0.932 5.106 1.00 0.11 C ATOM 874 CD GLU A 56 4.435 1.689 6.436 1.00 0.53 C ATOM 875 OE1 GLU A 56 3.337 1.973 6.889 1.00 1.31 O ATOM 876 OE2 GLU A 56 5.491 1.972 6.977 1.00 1.24 O ATOM 0 H GLU A 56 2.427 -2.773 4.123 1.00 0.09 H new ATOM 0 HA GLU A 56 3.310 -0.124 3.053 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.590 0.002 5.552 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.975 -1.021 5.877 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.512 0.620 4.894 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.180 1.586 4.290 1.00 0.11 H new ATOM 883 N VAL A 57 5.568 -1.221 2.665 1.00 0.08 N ATOM 884 CA VAL A 57 6.776 -2.008 2.271 1.00 0.08 C ATOM 885 C VAL A 57 8.028 -1.125 2.318 1.00 0.09 C ATOM 886 O VAL A 57 8.016 0.017 1.902 1.00 0.14 O ATOM 887 CB VAL A 57 6.582 -2.526 0.836 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.896 -3.123 0.311 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.492 -3.605 0.812 1.00 0.09 C ATOM 0 H VAL A 57 5.520 -0.278 2.280 1.00 0.08 H new ATOM 0 HA VAL A 57 6.904 -2.839 2.964 1.00 0.08 H new ATOM 0 HB VAL A 57 6.283 -1.692 0.201 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.749 -3.487 -0.706 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.671 -2.356 0.314 1.00 0.10 H new ATOM 0 HG13 VAL A 57 8.202 -3.950 0.952 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.361 -3.967 -0.208 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.786 -4.434 1.456 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.554 -3.182 1.171 1.00 0.09 H new ATOM 899 N ASP A 58 9.118 -1.676 2.792 1.00 0.09 N ATOM 900 CA ASP A 58 10.401 -0.915 2.843 1.00 0.09 C ATOM 901 C ASP A 58 11.244 -1.322 1.630 1.00 0.10 C ATOM 902 O ASP A 58 11.749 -2.424 1.553 1.00 0.11 O ATOM 903 CB ASP A 58 11.147 -1.263 4.138 1.00 0.11 C ATOM 904 CG ASP A 58 12.176 -0.173 4.453 1.00 0.13 C ATOM 905 OD1 ASP A 58 13.288 -0.274 3.962 1.00 1.06 O ATOM 906 OD2 ASP A 58 11.832 0.744 5.181 1.00 1.08 O ATOM 0 H ASP A 58 9.172 -2.630 3.149 1.00 0.09 H new ATOM 0 HA ASP A 58 10.212 0.158 2.824 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.440 -1.357 4.962 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.645 -2.227 4.034 1.00 0.11 H new ATOM 911 N VAL A 59 11.368 -0.454 0.667 1.00 0.12 N ATOM 912 CA VAL A 59 12.141 -0.799 -0.563 1.00 0.15 C ATOM 913 C VAL A 59 13.617 -1.041 -0.239 1.00 0.18 C ATOM 914 O VAL A 59 14.367 -1.502 -1.077 1.00 0.27 O ATOM 915 CB VAL A 59 12.029 0.350 -1.565 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.565 0.527 -1.967 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.541 1.645 -0.928 1.00 0.22 C ATOM 0 H VAL A 59 10.967 0.484 0.676 1.00 0.12 H new ATOM 0 HA VAL A 59 11.726 -1.715 -0.985 1.00 0.15 H new ATOM 0 HB VAL A 59 12.629 0.121 -2.446 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.480 1.346 -2.682 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.199 -0.393 -2.424 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.970 0.754 -1.083 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.459 2.461 -1.646 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.945 1.877 -0.046 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.584 1.520 -0.638 1.00 0.22 H new ATOM 927 N ASP A 60 14.052 -0.719 0.950 1.00 0.16 N ATOM 928 CA ASP A 60 15.494 -0.912 1.297 1.00 0.18 C ATOM 929 C ASP A 60 15.675 -2.141 2.191 1.00 0.17 C ATOM 930 O ASP A 60 16.627 -2.883 2.046 1.00 0.18 O ATOM 931 CB ASP A 60 16.000 0.326 2.036 1.00 0.21 C ATOM 932 CG ASP A 60 16.084 1.501 1.061 1.00 0.24 C ATOM 933 OD1 ASP A 60 16.967 1.484 0.220 1.00 1.11 O ATOM 934 OD2 ASP A 60 15.263 2.396 1.169 1.00 1.08 O ATOM 0 H ASP A 60 13.474 -0.331 1.696 1.00 0.16 H new ATOM 0 HA ASP A 60 16.060 -1.062 0.378 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.330 0.570 2.860 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.980 0.129 2.470 1.00 0.21 H new ATOM 939 N ASP A 61 14.786 -2.357 3.123 1.00 0.17 N ATOM 940 CA ASP A 61 14.926 -3.532 4.034 1.00 0.17 C ATOM 941 C ASP A 61 14.126 -4.713 3.469 1.00 0.16 C ATOM 942 O ASP A 61 14.285 -5.839 3.897 1.00 0.18 O ATOM 943 CB ASP A 61 14.412 -3.152 5.429 1.00 0.19 C ATOM 944 CG ASP A 61 14.083 -4.411 6.237 1.00 0.22 C ATOM 945 OD1 ASP A 61 14.852 -5.354 6.165 1.00 1.07 O ATOM 946 OD2 ASP A 61 13.066 -4.410 6.911 1.00 1.12 O ATOM 0 H ASP A 61 13.969 -1.771 3.294 1.00 0.17 H new ATOM 0 HA ASP A 61 15.973 -3.824 4.110 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.164 -2.562 5.953 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.523 -2.527 5.339 1.00 0.19 H new ATOM 951 N ALA A 62 13.284 -4.466 2.499 1.00 0.16 N ATOM 952 CA ALA A 62 12.483 -5.570 1.884 1.00 0.16 C ATOM 953 C ALA A 62 12.722 -5.568 0.373 1.00 0.16 C ATOM 954 O ALA A 62 11.799 -5.603 -0.417 1.00 0.15 O ATOM 955 CB ALA A 62 10.996 -5.347 2.177 1.00 0.17 C ATOM 0 H ALA A 62 13.115 -3.541 2.103 1.00 0.16 H new ATOM 0 HA ALA A 62 12.786 -6.530 2.302 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.412 -6.151 1.729 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.835 -5.339 3.255 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.681 -4.392 1.756 1.00 0.17 H new ATOM 961 N GLN A 63 13.962 -5.512 -0.031 1.00 0.20 N ATOM 962 CA GLN A 63 14.283 -5.489 -1.487 1.00 0.22 C ATOM 963 C GLN A 63 13.668 -6.702 -2.187 1.00 0.20 C ATOM 964 O GLN A 63 13.562 -6.737 -3.397 1.00 0.20 O ATOM 965 CB GLN A 63 15.805 -5.507 -1.673 1.00 0.29 C ATOM 966 CG GLN A 63 16.397 -6.788 -1.062 1.00 0.90 C ATOM 967 CD GLN A 63 16.218 -7.966 -2.026 1.00 1.53 C ATOM 968 OE1 GLN A 63 16.077 -7.775 -3.218 1.00 2.17 O ATOM 969 NE2 GLN A 63 16.216 -9.184 -1.557 1.00 2.22 N ATOM 0 H GLN A 63 14.771 -5.481 0.589 1.00 0.20 H new ATOM 0 HA GLN A 63 13.868 -4.582 -1.927 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.050 -5.454 -2.734 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.247 -4.631 -1.199 1.00 0.29 H new ATOM 0 HG2 GLN A 63 17.456 -6.642 -0.848 1.00 0.90 H new ATOM 0 HG3 GLN A 63 15.907 -7.007 -0.113 1.00 0.90 H new ATOM 0 HE21 GLN A 63 16.334 -9.346 -0.557 1.00 2.22 H new ATOM 0 HE22 GLN A 63 16.096 -9.974 -2.191 1.00 2.22 H new ATOM 978 N ASP A 64 13.268 -7.702 -1.450 1.00 0.19 N ATOM 979 CA ASP A 64 12.675 -8.902 -2.101 1.00 0.20 C ATOM 980 C ASP A 64 11.312 -8.530 -2.689 1.00 0.17 C ATOM 981 O ASP A 64 10.950 -8.969 -3.764 1.00 0.19 O ATOM 982 CB ASP A 64 12.515 -10.023 -1.068 1.00 0.22 C ATOM 983 CG ASP A 64 12.031 -9.435 0.259 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.869 -9.000 1.032 1.00 1.09 O ATOM 985 OD2 ASP A 64 10.831 -9.433 0.481 1.00 1.11 O ATOM 0 H ASP A 64 13.326 -7.740 -0.432 1.00 0.19 H new ATOM 0 HA ASP A 64 13.330 -9.251 -2.899 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.803 -10.765 -1.429 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.466 -10.537 -0.924 1.00 0.22 H new ATOM 990 N VAL A 65 10.562 -7.710 -2.006 1.00 0.15 N ATOM 991 CA VAL A 65 9.235 -7.295 -2.544 1.00 0.16 C ATOM 992 C VAL A 65 9.460 -6.289 -3.674 1.00 0.16 C ATOM 993 O VAL A 65 8.897 -6.402 -4.745 1.00 0.19 O ATOM 994 CB VAL A 65 8.408 -6.647 -1.430 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.948 -6.524 -1.877 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.485 -7.512 -0.171 1.00 0.18 C ATOM 0 H VAL A 65 10.809 -7.310 -1.101 1.00 0.15 H new ATOM 0 HA VAL A 65 8.697 -8.164 -2.923 1.00 0.16 H new ATOM 0 HB VAL A 65 8.804 -5.654 -1.216 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.362 -6.063 -1.082 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.893 -5.907 -2.774 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.549 -7.515 -2.093 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.897 -7.052 0.623 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.090 -8.505 -0.387 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.523 -7.597 0.149 1.00 0.18 H new ATOM 1006 N ALA A 66 10.291 -5.308 -3.443 1.00 0.16 N ATOM 1007 CA ALA A 66 10.569 -4.296 -4.500 1.00 0.18 C ATOM 1008 C ALA A 66 11.213 -4.991 -5.700 1.00 0.19 C ATOM 1009 O ALA A 66 11.013 -4.608 -6.836 1.00 0.20 O ATOM 1010 CB ALA A 66 11.523 -3.233 -3.951 1.00 0.22 C ATOM 0 H ALA A 66 10.790 -5.165 -2.565 1.00 0.16 H new ATOM 0 HA ALA A 66 9.638 -3.819 -4.808 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.726 -2.492 -4.724 1.00 0.22 H new ATOM 0 HB2 ALA A 66 11.066 -2.743 -3.091 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.457 -3.705 -3.646 1.00 0.22 H new ATOM 1016 N SER A 67 11.986 -6.015 -5.457 1.00 0.21 N ATOM 1017 CA SER A 67 12.640 -6.739 -6.583 1.00 0.26 C ATOM 1018 C SER A 67 11.562 -7.389 -7.454 1.00 0.26 C ATOM 1019 O SER A 67 11.515 -7.192 -8.652 1.00 0.29 O ATOM 1020 CB SER A 67 13.570 -7.819 -6.025 1.00 0.31 C ATOM 1021 OG SER A 67 14.714 -7.202 -5.448 1.00 1.29 O ATOM 0 H SER A 67 12.192 -6.381 -4.527 1.00 0.21 H new ATOM 0 HA SER A 67 13.222 -6.039 -7.182 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.047 -8.414 -5.276 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.872 -8.501 -6.820 1.00 0.31 H new ATOM 0 HG SER A 67 14.775 -7.447 -4.501 1.00 1.29 H new ATOM 1027 N GLU A 68 10.697 -8.163 -6.859 1.00 0.26 N ATOM 1028 CA GLU A 68 9.622 -8.829 -7.649 1.00 0.30 C ATOM 1029 C GLU A 68 8.696 -7.770 -8.253 1.00 0.31 C ATOM 1030 O GLU A 68 8.185 -7.931 -9.345 1.00 0.36 O ATOM 1031 CB GLU A 68 8.814 -9.754 -6.733 1.00 0.31 C ATOM 1032 CG GLU A 68 7.702 -10.436 -7.540 1.00 0.39 C ATOM 1033 CD GLU A 68 7.144 -11.621 -6.750 1.00 1.43 C ATOM 1034 OE1 GLU A 68 6.244 -11.407 -5.955 1.00 2.20 O ATOM 1035 OE2 GLU A 68 7.628 -12.723 -6.953 1.00 2.19 O ATOM 0 H GLU A 68 10.688 -8.364 -5.859 1.00 0.26 H new ATOM 0 HA GLU A 68 10.072 -9.414 -8.451 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.468 -10.505 -6.290 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.382 -9.182 -5.912 1.00 0.31 H new ATOM 0 HG2 GLU A 68 6.906 -9.723 -7.755 1.00 0.39 H new ATOM 0 HG3 GLU A 68 8.092 -10.777 -8.499 1.00 0.39 H new ATOM 1042 N ALA A 69 8.473 -6.687 -7.555 1.00 0.29 N ATOM 1043 CA ALA A 69 7.578 -5.621 -8.093 1.00 0.31 C ATOM 1044 C ALA A 69 8.402 -4.653 -8.947 1.00 0.29 C ATOM 1045 O ALA A 69 7.869 -3.763 -9.579 1.00 0.33 O ATOM 1046 CB ALA A 69 6.933 -4.862 -6.929 1.00 0.31 C ATOM 0 H ALA A 69 8.872 -6.495 -6.636 1.00 0.29 H new ATOM 0 HA ALA A 69 6.797 -6.071 -8.706 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.279 -4.083 -7.321 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.350 -5.554 -6.322 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.711 -4.408 -6.315 1.00 0.31 H new ATOM 1052 N GLU A 70 9.697 -4.832 -8.977 1.00 0.27 N ATOM 1053 CA GLU A 70 10.571 -3.938 -9.795 1.00 0.29 C ATOM 1054 C GLU A 70 10.129 -2.478 -9.650 1.00 0.25 C ATOM 1055 O GLU A 70 9.720 -1.847 -10.605 1.00 0.26 O ATOM 1056 CB GLU A 70 10.485 -4.355 -11.265 1.00 0.38 C ATOM 1057 CG GLU A 70 11.094 -5.749 -11.435 1.00 1.18 C ATOM 1058 CD GLU A 70 11.066 -6.147 -12.912 1.00 1.61 C ATOM 1059 OE1 GLU A 70 10.844 -5.276 -13.738 1.00 2.34 O ATOM 1060 OE2 GLU A 70 11.268 -7.317 -13.193 1.00 2.06 O ATOM 0 H GLU A 70 10.190 -5.564 -8.466 1.00 0.27 H new ATOM 0 HA GLU A 70 11.599 -4.029 -9.443 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.446 -4.358 -11.593 1.00 0.38 H new ATOM 0 HB3 GLU A 70 11.015 -3.636 -11.890 1.00 0.38 H new ATOM 0 HG2 GLU A 70 12.120 -5.756 -11.066 1.00 1.18 H new ATOM 0 HG3 GLU A 70 10.537 -6.475 -10.842 1.00 1.18 H new ATOM 1067 N VAL A 71 10.219 -1.936 -8.467 1.00 0.22 N ATOM 1068 CA VAL A 71 9.819 -0.514 -8.266 1.00 0.19 C ATOM 1069 C VAL A 71 10.948 0.383 -8.772 1.00 0.23 C ATOM 1070 O VAL A 71 12.113 0.080 -8.602 1.00 0.28 O ATOM 1071 CB VAL A 71 9.581 -0.253 -6.778 1.00 0.18 C ATOM 1072 CG1 VAL A 71 9.019 1.159 -6.592 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.576 -1.273 -6.238 1.00 0.19 C ATOM 0 H VAL A 71 10.552 -2.416 -7.631 1.00 0.22 H new ATOM 0 HA VAL A 71 8.900 -0.302 -8.813 1.00 0.19 H new ATOM 0 HB VAL A 71 10.523 -0.345 -6.237 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.849 1.346 -5.532 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.731 1.888 -6.980 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.077 1.250 -7.132 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.405 -1.089 -5.177 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.635 -1.178 -6.779 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.972 -2.280 -6.372 1.00 0.19 H new ATOM 1083 N LYS A 72 10.616 1.474 -9.411 1.00 0.24 N ATOM 1084 CA LYS A 72 11.671 2.383 -9.953 1.00 0.29 C ATOM 1085 C LYS A 72 11.490 3.783 -9.372 1.00 0.26 C ATOM 1086 O LYS A 72 12.336 4.640 -9.527 1.00 0.27 O ATOM 1087 CB LYS A 72 11.549 2.443 -11.480 1.00 0.35 C ATOM 1088 CG LYS A 72 11.747 1.040 -12.081 1.00 0.43 C ATOM 1089 CD LYS A 72 13.239 0.776 -12.320 1.00 1.16 C ATOM 1090 CE LYS A 72 13.452 -0.703 -12.651 1.00 1.66 C ATOM 1091 NZ LYS A 72 12.662 -1.058 -13.865 1.00 2.40 N ATOM 0 H LYS A 72 9.657 1.776 -9.582 1.00 0.24 H new ATOM 0 HA LYS A 72 12.655 2.004 -9.678 1.00 0.29 H new ATOM 0 HB2 LYS A 72 10.570 2.832 -11.760 1.00 0.35 H new ATOM 0 HB3 LYS A 72 12.292 3.129 -11.885 1.00 0.35 H new ATOM 0 HG2 LYS A 72 11.339 0.286 -11.407 1.00 0.43 H new ATOM 0 HG3 LYS A 72 11.200 0.957 -13.020 1.00 0.43 H new ATOM 0 HD2 LYS A 72 13.602 1.398 -13.138 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.813 1.047 -11.434 1.00 1.16 H new ATOM 0 HE2 LYS A 72 14.510 -0.900 -12.822 1.00 1.66 H new ATOM 0 HE3 LYS A 72 13.144 -1.323 -11.809 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 12.992 -1.970 -14.240 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 11.655 -1.131 -13.615 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 12.787 -0.321 -14.588 1.00 2.40 H new ATOM 1105 N ALA A 73 10.399 4.028 -8.698 1.00 0.22 N ATOM 1106 CA ALA A 73 10.186 5.384 -8.109 1.00 0.20 C ATOM 1107 C ALA A 73 9.275 5.280 -6.884 1.00 0.18 C ATOM 1108 O ALA A 73 8.271 4.604 -6.909 1.00 0.16 O ATOM 1109 CB ALA A 73 9.544 6.302 -9.157 1.00 0.21 C ATOM 0 H ALA A 73 9.651 3.355 -8.530 1.00 0.22 H new ATOM 0 HA ALA A 73 11.146 5.800 -7.804 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.388 7.292 -8.727 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.201 6.381 -10.023 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.585 5.886 -9.467 1.00 0.21 H new ATOM 1115 N THR A 74 9.620 5.959 -5.817 1.00 0.18 N ATOM 1116 CA THR A 74 8.774 5.915 -4.584 1.00 0.17 C ATOM 1117 C THR A 74 8.203 7.318 -4.325 1.00 0.17 C ATOM 1118 O THR A 74 8.833 8.295 -4.671 1.00 0.19 O ATOM 1119 CB THR A 74 9.641 5.511 -3.378 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.858 6.240 -3.420 1.00 0.22 O ATOM 1121 CG2 THR A 74 9.953 4.005 -3.395 1.00 0.19 C ATOM 0 H THR A 74 10.453 6.543 -5.747 1.00 0.18 H new ATOM 0 HA THR A 74 7.969 5.192 -4.720 1.00 0.17 H new ATOM 0 HB THR A 74 9.090 5.736 -2.465 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.416 5.990 -2.654 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.567 3.751 -2.531 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.022 3.440 -3.357 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.492 3.755 -4.309 1.00 0.19 H new ATOM 1129 N PRO A 75 7.051 7.394 -3.695 1.00 0.17 N ATOM 1130 CA PRO A 75 6.254 6.223 -3.259 1.00 0.16 C ATOM 1131 C PRO A 75 5.560 5.583 -4.462 1.00 0.14 C ATOM 1132 O PRO A 75 5.149 6.263 -5.383 1.00 0.14 O ATOM 1133 CB PRO A 75 5.201 6.809 -2.298 1.00 0.17 C ATOM 1134 CG PRO A 75 5.273 8.354 -2.418 1.00 0.20 C ATOM 1135 CD PRO A 75 6.459 8.695 -3.339 1.00 0.19 C ATOM 0 HA PRO A 75 6.868 5.453 -2.791 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.204 6.450 -2.555 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.399 6.494 -1.273 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.344 8.750 -2.828 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.408 8.808 -1.436 1.00 0.20 H new ATOM 0 HD2 PRO A 75 6.127 9.234 -4.227 1.00 0.19 H new ATOM 0 HD3 PRO A 75 7.183 9.332 -2.831 1.00 0.19 H new ATOM 1143 N THR A 76 5.403 4.284 -4.449 1.00 0.13 N ATOM 1144 CA THR A 76 4.705 3.601 -5.575 1.00 0.12 C ATOM 1145 C THR A 76 3.438 2.960 -5.029 1.00 0.12 C ATOM 1146 O THR A 76 3.490 2.096 -4.176 1.00 0.18 O ATOM 1147 CB THR A 76 5.597 2.505 -6.177 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.938 2.961 -6.210 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.134 2.180 -7.602 1.00 0.13 C ATOM 0 H THR A 76 5.729 3.667 -3.705 1.00 0.13 H new ATOM 0 HA THR A 76 4.472 4.329 -6.352 1.00 0.12 H new ATOM 0 HB THR A 76 5.527 1.606 -5.565 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.966 3.867 -6.583 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.771 1.402 -8.023 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.102 1.831 -7.578 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.200 3.076 -8.219 1.00 0.13 H new ATOM 1157 N PHE A 77 2.299 3.363 -5.514 1.00 0.09 N ATOM 1158 CA PHE A 77 1.037 2.755 -5.019 1.00 0.09 C ATOM 1159 C PHE A 77 0.682 1.582 -5.915 1.00 0.09 C ATOM 1160 O PHE A 77 0.536 1.718 -7.115 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.096 3.780 -5.053 1.00 0.10 C ATOM 1162 CG PHE A 77 0.136 4.801 -3.969 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.136 4.465 -2.634 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.623 6.080 -4.289 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.078 5.409 -1.617 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.837 7.024 -3.271 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.564 6.688 -1.935 1.00 0.12 C ATOM 0 H PHE A 77 2.188 4.083 -6.228 1.00 0.09 H new ATOM 0 HA PHE A 77 1.174 2.421 -3.991 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.134 4.267 -6.027 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.056 3.285 -4.906 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.509 3.482 -2.389 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.833 6.337 -5.317 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.131 5.152 -0.589 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.211 8.007 -3.515 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.728 7.413 -1.152 1.00 0.12 H new ATOM 1177 N GLN A 78 0.541 0.426 -5.335 1.00 0.07 N ATOM 1178 CA GLN A 78 0.193 -0.781 -6.123 1.00 0.07 C ATOM 1179 C GLN A 78 -1.114 -1.333 -5.569 1.00 0.06 C ATOM 1180 O GLN A 78 -1.299 -1.433 -4.372 1.00 0.07 O ATOM 1181 CB GLN A 78 1.315 -1.812 -5.976 1.00 0.08 C ATOM 1182 CG GLN A 78 2.667 -1.129 -6.207 1.00 0.12 C ATOM 1183 CD GLN A 78 3.758 -2.190 -6.374 1.00 0.14 C ATOM 1184 OE1 GLN A 78 3.468 -3.345 -6.618 1.00 0.81 O ATOM 1185 NE2 GLN A 78 5.010 -1.845 -6.249 1.00 1.03 N ATOM 0 H GLN A 78 0.654 0.266 -4.334 1.00 0.07 H new ATOM 0 HA GLN A 78 0.076 -0.544 -7.181 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.286 -2.258 -4.982 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.177 -2.621 -6.693 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.620 -0.499 -7.095 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.905 -0.478 -5.366 1.00 0.12 H new ATOM 0 HE21 GLN A 78 5.254 -0.876 -6.044 1.00 1.03 H new ATOM 0 HE22 GLN A 78 5.745 -2.544 -6.356 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.039 -1.653 -6.430 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.359 -2.157 -5.961 1.00 0.07 C ATOM 1196 C PHE A 79 -3.466 -3.653 -6.237 1.00 0.07 C ATOM 1197 O PHE A 79 -3.272 -4.109 -7.348 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.473 -1.418 -6.707 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.470 0.040 -6.300 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.433 0.885 -6.727 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.498 0.552 -5.490 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.422 2.238 -6.348 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.488 1.903 -5.107 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.451 2.746 -5.536 1.00 0.11 C ATOM 0 H PHE A 79 -1.937 -1.587 -7.443 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.456 -1.983 -4.889 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.326 -1.507 -7.783 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.439 -1.868 -6.479 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.641 0.494 -7.349 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.298 -0.095 -5.161 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.625 2.886 -6.680 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.278 2.293 -4.483 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.444 3.785 -5.242 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.785 -4.416 -5.226 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.923 -5.888 -5.392 1.00 0.08 C ATOM 1216 C PHE A 80 -5.312 -6.300 -4.911 1.00 0.11 C ATOM 1217 O PHE A 80 -5.937 -5.620 -4.122 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.861 -6.606 -4.547 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.506 -6.486 -5.210 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.100 -7.439 -6.161 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.647 -5.427 -4.870 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.163 -7.333 -6.767 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.614 -5.321 -5.476 1.00 0.11 C ATOM 1224 CZ PHE A 80 1.020 -6.273 -6.424 1.00 0.14 C ATOM 0 H PHE A 80 -3.958 -4.075 -4.280 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.789 -6.158 -6.439 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.826 -6.173 -3.547 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.126 -7.657 -4.430 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.759 -8.253 -6.426 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.958 -4.693 -4.141 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.475 -8.066 -7.496 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.273 -4.506 -5.213 1.00 0.11 H new ATOM 0 HZ PHE A 80 1.991 -6.191 -6.890 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.804 -7.405 -5.385 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.154 -7.862 -4.961 1.00 0.14 C ATOM 1236 C LYS A 81 -7.212 -9.377 -5.137 1.00 0.14 C ATOM 1237 O LYS A 81 -7.011 -9.889 -6.220 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.215 -7.177 -5.835 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.577 -7.197 -5.131 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.571 -6.329 -5.912 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.839 -6.128 -5.082 1.00 0.72 C ATOM 1242 NZ LYS A 81 -11.513 -5.326 -3.869 1.00 1.48 N ATOM 0 H LYS A 81 -5.329 -8.015 -6.050 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.346 -7.605 -3.919 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.919 -6.148 -6.040 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.287 -7.685 -6.797 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.947 -8.220 -5.062 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.476 -6.825 -4.111 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.121 -5.364 -6.146 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.817 -6.805 -6.861 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -12.599 -5.619 -5.675 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.255 -7.093 -4.793 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -12.321 -4.718 -3.627 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -11.310 -5.965 -3.074 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -10.679 -4.734 -4.058 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.455 -10.095 -4.077 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.498 -11.580 -4.171 1.00 0.20 C ATOM 1258 C LYS A 82 -6.155 -12.101 -4.684 1.00 0.20 C ATOM 1259 O LYS A 82 -6.069 -13.167 -5.263 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.613 -12.014 -5.132 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.982 -11.835 -4.460 1.00 0.24 C ATOM 1262 CD LYS A 82 -11.080 -12.508 -5.304 1.00 0.36 C ATOM 1263 CE LYS A 82 -11.528 -11.579 -6.441 1.00 1.19 C ATOM 1264 NZ LYS A 82 -12.625 -10.699 -5.952 1.00 1.67 N ATOM 0 H LYS A 82 -7.626 -9.716 -3.146 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.697 -11.992 -3.182 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.567 -11.423 -6.047 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.473 -13.056 -5.419 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.964 -12.269 -3.460 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.202 -10.774 -4.343 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.706 -13.445 -5.717 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -11.932 -12.756 -4.672 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -10.688 -10.976 -6.786 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -11.870 -12.166 -7.293 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -12.966 -10.103 -6.733 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -13.407 -11.285 -5.596 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -12.269 -10.094 -5.185 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.100 -11.364 -4.465 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.759 -11.824 -4.925 1.00 0.21 C ATOM 1280 C GLY A 83 -3.536 -11.434 -6.387 1.00 0.19 C ATOM 1281 O GLY A 83 -2.550 -11.812 -6.989 1.00 0.22 O ATOM 0 H GLY A 83 -5.109 -10.463 -3.987 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.982 -11.382 -4.301 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.680 -12.905 -4.814 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.439 -10.683 -6.969 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.267 -10.272 -8.401 1.00 0.17 C ATOM 1287 C GLN A 84 -4.053 -8.758 -8.485 1.00 0.16 C ATOM 1288 O GLN A 84 -4.599 -7.999 -7.709 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.521 -10.641 -9.194 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.810 -12.134 -9.033 1.00 0.23 C ATOM 1291 CD GLN A 84 -7.125 -12.474 -9.737 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -7.224 -13.480 -10.412 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -8.145 -11.672 -9.607 1.00 2.08 N ATOM 0 H GLN A 84 -5.286 -10.337 -6.518 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.401 -10.787 -8.816 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.371 -10.056 -8.842 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.381 -10.399 -10.248 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -4.995 -12.721 -9.456 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -5.873 -12.392 -7.976 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -8.061 -10.828 -9.040 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -9.027 -11.889 -10.072 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.266 -8.313 -9.432 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.017 -6.849 -9.582 1.00 0.17 C ATOM 1304 C LYS A 85 -4.109 -6.237 -10.461 1.00 0.16 C ATOM 1305 O LYS A 85 -4.581 -6.856 -11.394 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.652 -6.624 -10.238 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.444 -5.121 -10.482 1.00 0.25 C ATOM 1308 CD LYS A 85 0.045 -4.824 -10.696 1.00 0.30 C ATOM 1309 CE LYS A 85 0.564 -5.587 -11.923 1.00 0.89 C ATOM 1310 NZ LYS A 85 0.987 -6.956 -11.515 1.00 1.70 N ATOM 0 H LYS A 85 -2.784 -8.904 -10.110 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.029 -6.377 -8.600 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.860 -7.013 -9.598 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.595 -7.168 -11.181 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.015 -4.804 -11.354 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.818 -4.551 -9.631 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.194 -3.753 -10.834 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.612 -5.113 -9.811 1.00 0.30 H new ATOM 0 HE2 LYS A 85 -0.215 -5.647 -12.683 1.00 0.89 H new ATOM 0 HE3 LYS A 85 1.404 -5.053 -12.368 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 1.920 -7.167 -11.923 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 1.043 -7.008 -10.478 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 0.294 -7.651 -11.859 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.522 -5.028 -10.164 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.597 -4.379 -10.976 1.00 0.16 C ATOM 1326 C VAL A 86 -5.175 -2.965 -11.400 1.00 0.18 C ATOM 1327 O VAL A 86 -5.685 -2.430 -12.366 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.877 -4.304 -10.138 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.453 -5.711 -9.960 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.554 -3.710 -8.765 1.00 0.17 C ATOM 0 H VAL A 86 -4.161 -4.464 -9.395 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.772 -4.971 -11.875 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.607 -3.673 -10.645 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.364 -5.658 -9.364 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.683 -6.136 -10.937 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.723 -6.341 -9.452 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.465 -3.656 -8.168 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.825 -4.341 -8.258 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.142 -2.708 -8.890 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.260 -2.345 -10.699 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.843 -0.967 -11.096 1.00 0.18 C ATOM 1342 C GLY A 87 -2.652 -0.503 -10.255 1.00 0.10 C ATOM 1343 O GLY A 87 -2.221 -1.178 -9.340 1.00 0.08 O ATOM 0 H GLY A 87 -3.789 -2.728 -9.879 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.577 -0.952 -12.153 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.677 -0.277 -10.967 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.115 0.650 -10.564 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.950 1.168 -9.791 1.00 0.10 C ATOM 1349 C GLU A 88 -0.605 2.585 -10.258 1.00 0.10 C ATOM 1350 O GLU A 88 -0.881 2.963 -11.380 1.00 0.11 O ATOM 1351 CB GLU A 88 0.259 0.259 -10.024 1.00 0.17 C ATOM 1352 CG GLU A 88 0.413 -0.009 -11.523 1.00 0.25 C ATOM 1353 CD GLU A 88 1.718 -0.764 -11.777 1.00 1.25 C ATOM 1354 OE1 GLU A 88 2.051 -1.618 -10.972 1.00 2.04 O ATOM 1355 OE2 GLU A 88 2.364 -0.474 -12.771 1.00 1.94 O ATOM 0 H GLU A 88 -2.435 1.255 -11.320 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.204 1.185 -8.731 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.162 0.729 -9.633 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.130 -0.681 -9.487 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.433 -0.592 -11.887 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.412 0.932 -12.073 1.00 0.25 H new ATOM 1362 N PHE A 89 0.025 3.356 -9.414 1.00 0.09 N ATOM 1363 CA PHE A 89 0.421 4.738 -9.817 1.00 0.09 C ATOM 1364 C PHE A 89 1.367 5.330 -8.766 1.00 0.09 C ATOM 1365 O PHE A 89 1.108 5.275 -7.581 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.823 5.627 -10.001 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.405 6.051 -8.667 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.748 7.021 -7.887 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.619 5.500 -8.220 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.300 7.433 -6.666 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.171 5.914 -6.996 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.512 6.881 -6.221 1.00 0.11 C ATOM 0 H PHE A 89 0.283 3.090 -8.464 1.00 0.09 H new ATOM 0 HA PHE A 89 0.942 4.695 -10.773 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.557 6.511 -10.581 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.577 5.086 -10.573 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.183 7.449 -8.230 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.127 4.758 -8.818 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.793 8.175 -6.067 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.102 5.488 -6.652 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.938 7.201 -5.281 1.00 0.11 H new ATOM 1382 N SER A 90 2.470 5.892 -9.190 1.00 0.13 N ATOM 1383 CA SER A 90 3.443 6.490 -8.222 1.00 0.14 C ATOM 1384 C SER A 90 3.294 8.013 -8.226 1.00 0.14 C ATOM 1385 O SER A 90 2.342 8.554 -8.752 1.00 0.17 O ATOM 1386 CB SER A 90 4.864 6.114 -8.642 1.00 0.15 C ATOM 1387 OG SER A 90 5.287 6.976 -9.689 1.00 0.16 O ATOM 0 H SER A 90 2.741 5.963 -10.171 1.00 0.13 H new ATOM 0 HA SER A 90 3.245 6.110 -7.220 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.541 6.196 -7.792 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.895 5.076 -8.975 1.00 0.15 H new ATOM 0 HG SER A 90 6.104 7.444 -9.417 1.00 0.16 H new ATOM 1393 N GLY A 91 4.227 8.708 -7.633 1.00 0.12 N ATOM 1394 CA GLY A 91 4.145 10.199 -7.587 1.00 0.13 C ATOM 1395 C GLY A 91 3.303 10.612 -6.381 1.00 0.13 C ATOM 1396 O GLY A 91 2.241 10.073 -6.140 1.00 0.13 O ATOM 0 H GLY A 91 5.046 8.307 -7.176 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.144 10.629 -7.514 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.700 10.580 -8.506 1.00 0.13 H new ATOM 1400 N ALA A 92 3.774 11.550 -5.607 1.00 0.15 N ATOM 1401 CA ALA A 92 3.003 11.972 -4.404 1.00 0.17 C ATOM 1402 C ALA A 92 1.612 12.473 -4.801 1.00 0.15 C ATOM 1403 O ALA A 92 1.426 13.638 -5.098 1.00 0.16 O ATOM 1404 CB ALA A 92 3.752 13.096 -3.679 1.00 0.20 C ATOM 0 H ALA A 92 4.656 12.041 -5.754 1.00 0.15 H new ATOM 0 HA ALA A 92 2.895 11.110 -3.746 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.186 13.402 -2.800 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.735 12.739 -3.371 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.869 13.947 -4.350 1.00 0.20 H new ATOM 1410 N ASN A 93 0.629 11.612 -4.770 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.762 12.040 -5.103 1.00 0.13 C ATOM 1412 C ASN A 93 -1.718 11.403 -4.090 1.00 0.12 C ATOM 1413 O ASN A 93 -2.386 10.426 -4.368 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.119 11.598 -6.526 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.276 12.456 -7.039 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.254 12.655 -6.345 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -2.200 12.988 -8.226 1.00 1.15 N ATOM 0 H ASN A 93 0.730 10.626 -4.527 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.844 13.126 -5.054 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.254 11.702 -7.181 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.399 10.545 -6.534 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -2.961 13.572 -8.573 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -1.379 12.821 -8.808 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.757 11.940 -2.905 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.627 11.373 -1.833 1.00 0.20 C ATOM 1426 C LYS A 94 -4.105 11.457 -2.224 1.00 0.18 C ATOM 1427 O LYS A 94 -4.879 10.567 -1.936 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.407 12.162 -0.538 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.272 13.656 -0.872 1.00 0.38 C ATOM 1430 CD LYS A 94 -2.232 14.491 0.415 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.819 14.480 1.006 1.00 0.78 C ATOM 1432 NZ LYS A 94 0.142 15.005 -0.004 1.00 1.19 N ATOM 0 H LYS A 94 -1.216 12.759 -2.627 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.363 10.325 -1.691 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.242 12.004 0.144 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.509 11.808 -0.031 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -1.364 13.825 -1.451 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -3.110 13.973 -1.493 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -2.538 15.515 0.203 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -2.941 14.090 1.140 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.785 15.090 1.908 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.542 13.467 1.296 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 0.976 15.395 0.480 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 0.437 14.234 -0.636 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 -0.316 15.754 -0.562 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.513 12.526 -2.847 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.948 12.659 -3.214 1.00 0.20 C ATOM 1448 C GLU A 95 -6.315 11.581 -4.238 1.00 0.17 C ATOM 1449 O GLU A 95 -7.452 11.164 -4.334 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.185 14.051 -3.811 1.00 0.24 C ATOM 1451 CG GLU A 95 -6.306 15.082 -2.685 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.370 16.490 -3.283 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -7.467 16.942 -3.565 1.00 1.86 O ATOM 1454 OE2 GLU A 95 -5.321 17.090 -3.446 1.00 1.95 O ATOM 0 H GLU A 95 -3.918 13.309 -3.117 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.571 12.534 -2.328 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.362 14.318 -4.474 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.093 14.049 -4.414 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -7.200 14.886 -2.093 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.454 15.001 -2.011 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.360 11.122 -4.998 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.657 10.070 -6.008 1.00 0.14 C ATOM 1463 C LYS A 96 -6.017 8.765 -5.302 1.00 0.12 C ATOM 1464 O LYS A 96 -6.876 8.031 -5.743 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.435 9.852 -6.903 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.789 8.868 -8.023 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.675 8.842 -9.083 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.237 8.322 -10.410 1.00 1.18 C ATOM 1469 NZ LYS A 96 -3.112 7.977 -11.323 1.00 2.05 N ATOM 0 H LYS A 96 -4.388 11.430 -4.963 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.499 10.391 -6.622 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.109 10.801 -7.328 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.604 9.465 -6.314 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.929 7.870 -7.608 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.733 9.157 -8.485 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.265 9.843 -9.218 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -2.857 8.204 -8.749 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -4.860 7.445 -10.235 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -4.874 9.078 -10.869 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -3.410 8.117 -12.309 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -2.297 8.590 -11.117 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -2.842 6.983 -11.181 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.371 8.463 -4.207 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.693 7.195 -3.487 1.00 0.11 C ATOM 1485 C LEU A 97 -7.199 7.131 -3.241 1.00 0.11 C ATOM 1486 O LEU A 97 -7.812 6.089 -3.332 1.00 0.11 O ATOM 1487 CB LEU A 97 -4.963 7.152 -2.136 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.455 7.384 -2.330 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.814 7.770 -0.989 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -2.786 6.105 -2.864 1.00 0.13 C ATOM 0 H LEU A 97 -4.640 9.034 -3.782 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.372 6.348 -4.094 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.371 7.913 -1.471 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.130 6.187 -1.657 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.313 8.190 -3.050 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.746 7.934 -1.130 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.275 8.684 -0.615 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -2.966 6.966 -0.268 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -1.719 6.281 -2.997 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -2.934 5.293 -2.152 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.231 5.834 -3.821 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.797 8.244 -2.931 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.262 8.250 -2.677 1.00 0.14 C ATOM 1504 C GLU A 98 -10.005 7.889 -3.965 1.00 0.13 C ATOM 1505 O GLU A 98 -10.794 6.965 -4.002 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.685 9.647 -2.210 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.177 9.649 -1.851 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.511 10.895 -1.026 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -10.651 11.339 -0.281 1.00 2.05 O ATOM 1510 OE2 GLU A 98 -12.622 11.383 -1.149 1.00 2.15 O ATOM 0 H GLU A 98 -7.336 9.149 -2.842 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.506 7.519 -1.906 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.093 9.945 -1.344 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.490 10.377 -2.996 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.779 9.631 -2.760 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.426 8.750 -1.286 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.765 8.618 -5.019 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.458 8.331 -6.306 1.00 0.14 C ATOM 1519 C ALA A 99 -10.134 6.913 -6.789 1.00 0.12 C ATOM 1520 O ALA A 99 -10.997 6.203 -7.260 1.00 0.13 O ATOM 1521 CB ALA A 99 -10.000 9.341 -7.361 1.00 0.15 C ATOM 0 H ALA A 99 -9.115 9.404 -5.044 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.534 8.411 -6.151 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.504 9.135 -8.305 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.247 10.350 -7.030 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.922 9.258 -7.500 1.00 0.15 H new ATOM 1527 N THR A 100 -8.896 6.505 -6.702 1.00 0.11 N ATOM 1528 CA THR A 100 -8.522 5.142 -7.189 1.00 0.11 C ATOM 1529 C THR A 100 -9.161 4.073 -6.301 1.00 0.10 C ATOM 1530 O THR A 100 -9.659 3.075 -6.782 1.00 0.11 O ATOM 1531 CB THR A 100 -7.000 4.987 -7.164 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.405 6.142 -7.730 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.591 3.755 -7.976 1.00 0.12 C ATOM 0 H THR A 100 -8.128 7.054 -6.316 1.00 0.11 H new ATOM 0 HA THR A 100 -8.884 5.019 -8.210 1.00 0.11 H new ATOM 0 HB THR A 100 -6.665 4.865 -6.134 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.493 6.894 -7.107 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.506 3.649 -7.955 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.051 2.866 -7.545 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.924 3.872 -9.007 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.155 4.268 -5.012 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.770 3.253 -4.115 1.00 0.11 C ATOM 1543 C ILE A 101 -11.257 3.141 -4.454 1.00 0.13 C ATOM 1544 O ILE A 101 -11.768 2.066 -4.686 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.594 3.688 -2.650 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.136 3.451 -2.215 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.542 2.882 -1.748 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.820 4.255 -0.947 1.00 0.18 C ATOM 0 H ILE A 101 -8.754 5.081 -4.544 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.288 2.285 -4.254 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.832 4.748 -2.559 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -7.973 2.389 -2.030 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.458 3.743 -3.017 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.412 3.195 -0.712 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.573 3.059 -2.054 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.314 1.820 -1.837 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.786 4.077 -0.652 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -7.963 5.317 -1.145 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.486 3.942 -0.143 1.00 0.18 H new ATOM 1560 N ASN A 102 -11.947 4.246 -4.491 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.398 4.209 -4.819 1.00 0.17 C ATOM 1562 C ASN A 102 -13.585 3.662 -6.235 1.00 0.18 C ATOM 1563 O ASN A 102 -14.666 3.264 -6.622 1.00 0.21 O ATOM 1564 CB ASN A 102 -13.968 5.629 -4.739 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.497 5.574 -4.735 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.080 4.523 -4.913 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.176 6.671 -4.538 1.00 1.03 N ATOM 0 H ASN A 102 -11.567 5.175 -4.308 1.00 0.14 H new ATOM 0 HA ASN A 102 -13.919 3.565 -4.111 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.610 6.124 -3.836 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.618 6.219 -5.586 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.196 6.646 -4.533 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.687 7.554 -4.388 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.541 3.658 -7.017 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.652 3.155 -8.416 1.00 0.18 C ATOM 1576 C GLU A 103 -12.700 1.624 -8.427 1.00 0.19 C ATOM 1577 O GLU A 103 -13.650 1.025 -8.889 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.435 3.631 -9.222 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.731 3.533 -10.724 1.00 0.22 C ATOM 1580 CD GLU A 103 -12.737 4.615 -11.125 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -12.811 5.617 -10.433 1.00 2.01 O ATOM 1582 OE2 GLU A 103 -13.417 4.423 -12.120 1.00 2.02 O ATOM 0 H GLU A 103 -11.613 3.982 -6.747 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.569 3.541 -8.862 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.193 4.660 -8.957 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.564 3.024 -8.974 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -10.810 3.651 -11.294 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.129 2.547 -10.962 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.663 0.986 -7.950 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.621 -0.506 -7.960 1.00 0.19 C ATOM 1591 C LEU A 104 -12.177 -1.065 -6.648 1.00 0.19 C ATOM 1592 O LEU A 104 -11.936 -2.203 -6.298 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.168 -0.966 -8.131 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.538 -0.268 -9.346 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.033 -0.559 -9.384 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.191 -0.774 -10.641 1.00 0.35 C ATOM 0 H LEU A 104 -10.839 1.437 -7.552 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.231 -0.873 -8.785 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.596 -0.736 -7.232 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.133 -2.047 -8.263 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.700 0.807 -9.261 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.588 -0.063 -10.247 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.567 -0.187 -8.471 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -7.872 -1.634 -9.461 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.738 -0.273 -11.497 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.040 -1.850 -10.728 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.259 -0.558 -10.618 1.00 0.35 H new ATOM 1672 N PHE B 3 19.499 2.747 1.451 1.00 0.00 N ATOM 1673 CA PHE B 3 19.209 3.662 0.304 1.00 0.00 C ATOM 1674 C PHE B 3 18.923 2.829 -0.943 1.00 0.00 C ATOM 1675 O PHE B 3 19.519 1.792 -1.158 1.00 0.00 O ATOM 1676 CB PHE B 3 20.426 4.553 0.043 1.00 0.00 C ATOM 1677 CG PHE B 3 20.514 5.617 1.112 1.00 0.00 C ATOM 1678 CD1 PHE B 3 20.928 5.276 2.410 1.00 0.00 C ATOM 1679 CD2 PHE B 3 20.182 6.950 0.809 1.00 0.00 C ATOM 1680 CE1 PHE B 3 21.013 6.265 3.404 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.266 7.938 1.803 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.682 7.596 3.100 1.00 0.00 C ATOM 0 HA PHE B 3 18.345 4.282 0.542 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.335 3.952 0.038 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.346 5.017 -0.940 1.00 0.00 H new ATOM 0 HD1 PHE B 3 21.181 4.253 2.644 1.00 0.00 H new ATOM 0 HD2 PHE B 3 19.862 7.213 -0.188 1.00 0.00 H new ATOM 0 HE1 PHE B 3 21.333 6.002 4.402 1.00 0.00 H new ATOM 0 HE2 PHE B 3 20.011 8.961 1.570 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.747 8.357 3.864 1.00 0.00 H new ATOM 1692 N ARG B 4 18.015 3.278 -1.771 1.00 0.00 N ATOM 1693 CA ARG B 4 17.684 2.519 -3.013 1.00 0.00 C ATOM 1694 C ARG B 4 17.642 3.493 -4.199 1.00 0.00 C ATOM 1695 O ARG B 4 18.651 3.746 -4.828 1.00 0.00 O ATOM 1696 CB ARG B 4 16.325 1.814 -2.830 1.00 0.00 C ATOM 1697 CG ARG B 4 16.511 0.290 -2.841 1.00 0.00 C ATOM 1698 CD ARG B 4 17.180 -0.162 -4.155 1.00 0.00 C ATOM 1699 NE ARG B 4 16.411 -1.287 -4.772 1.00 0.00 N ATOM 1700 CZ ARG B 4 16.021 -2.310 -4.057 1.00 0.00 C ATOM 1701 NH1 ARG B 4 16.359 -2.402 -2.800 1.00 0.00 N ATOM 1702 NH2 ARG B 4 15.309 -3.252 -4.608 1.00 0.00 N ATOM 0 H ARG B 4 17.487 4.141 -1.639 1.00 0.00 H new ATOM 0 HA ARG B 4 18.443 1.762 -3.210 1.00 0.00 H new ATOM 0 HB2 ARG B 4 15.870 2.125 -1.890 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.643 2.110 -3.627 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.122 -0.014 -1.991 1.00 0.00 H new ATOM 0 HG3 ARG B 4 15.544 -0.201 -2.730 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.232 0.676 -4.851 1.00 0.00 H new ATOM 0 HD3 ARG B 4 18.205 -0.478 -3.959 1.00 0.00 H new ATOM 0 HE ARG B 4 16.187 -1.256 -5.767 1.00 0.00 H new ATOM 0 HH11 ARG B 4 16.930 -1.674 -2.371 1.00 0.00 H new ATOM 0 HH12 ARG B 4 16.052 -3.202 -2.247 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.057 -3.190 -5.595 1.00 0.00 H new ATOM 0 HH22 ARG B 4 15.003 -4.051 -4.053 1.00 0.00 H new ATOM 1716 N TYR B 5 16.495 4.051 -4.505 1.00 0.00 N ATOM 1717 CA TYR B 5 16.408 5.014 -5.646 1.00 0.00 C ATOM 1718 C TYR B 5 15.805 6.339 -5.166 1.00 0.00 C ATOM 1719 O TYR B 5 15.686 6.590 -3.983 1.00 0.00 O ATOM 1720 CB TYR B 5 15.581 4.416 -6.798 1.00 0.00 C ATOM 1721 CG TYR B 5 14.402 3.639 -6.271 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.565 2.307 -5.860 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.136 4.235 -6.226 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.463 1.576 -5.389 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.036 3.506 -5.765 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.196 2.177 -5.342 1.00 0.00 C ATOM 1727 OH TYR B 5 11.109 1.463 -4.883 1.00 0.00 O ATOM 0 H TYR B 5 15.617 3.881 -4.014 1.00 0.00 H new ATOM 0 HA TYR B 5 17.412 5.207 -6.023 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.231 5.215 -7.452 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.211 3.763 -7.402 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.540 1.844 -5.906 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.009 5.258 -6.548 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.590 0.554 -5.064 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.060 3.967 -5.734 1.00 0.00 H new ATOM 0 HH TYR B 5 11.412 0.607 -4.514 1.00 0.00 H new ATOM 1737 N VAL B 6 15.487 7.210 -6.081 1.00 0.00 N ATOM 1738 CA VAL B 6 14.963 8.554 -5.704 1.00 0.00 C ATOM 1739 C VAL B 6 13.555 8.477 -5.111 1.00 0.00 C ATOM 1740 O VAL B 6 12.742 7.651 -5.488 1.00 0.00 O ATOM 1741 CB VAL B 6 14.910 9.437 -6.953 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.700 10.895 -6.543 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.223 9.316 -7.726 1.00 0.00 C ATOM 0 H VAL B 6 15.568 7.048 -7.085 1.00 0.00 H new ATOM 0 HA VAL B 6 15.631 8.969 -4.950 1.00 0.00 H new ATOM 0 HB VAL B 6 14.084 9.112 -7.585 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.663 11.522 -7.434 1.00 0.00 H new ATOM 0 HG12 VAL B 6 13.762 10.987 -5.995 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.525 11.217 -5.907 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.182 9.946 -8.615 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.049 9.637 -7.092 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.376 8.279 -8.024 1.00 0.00 H new ATOM 1753 N CYS B 7 13.253 9.390 -4.223 1.00 0.00 N ATOM 1754 CA CYS B 7 11.889 9.461 -3.626 1.00 0.00 C ATOM 1755 C CYS B 7 11.125 10.573 -4.344 1.00 0.00 C ATOM 1756 O CYS B 7 11.240 11.734 -4.002 1.00 0.00 O ATOM 1757 CB CYS B 7 11.984 9.800 -2.135 1.00 0.00 C ATOM 1758 SG CYS B 7 13.291 8.828 -1.351 1.00 0.00 S ATOM 0 H CYS B 7 13.904 10.098 -3.883 1.00 0.00 H new ATOM 0 HA CYS B 7 11.382 8.503 -3.735 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.188 10.863 -2.009 1.00 0.00 H new ATOM 0 HB3 CYS B 7 11.030 9.598 -1.648 1.00 0.00 H new ATOM 1763 N GLU B 8 10.366 10.243 -5.355 1.00 0.00 N ATOM 1764 CA GLU B 8 9.630 11.306 -6.095 1.00 0.00 C ATOM 1765 C GLU B 8 8.321 11.631 -5.380 1.00 0.00 C ATOM 1766 O GLU B 8 7.292 11.836 -5.997 1.00 0.00 O ATOM 1767 CB GLU B 8 9.338 10.843 -7.527 1.00 0.00 C ATOM 1768 CG GLU B 8 8.869 9.386 -7.512 1.00 0.00 C ATOM 1769 CD GLU B 8 8.166 9.060 -8.832 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.800 9.190 -9.866 1.00 0.00 O ATOM 1771 OE2 GLU B 8 7.006 8.688 -8.785 1.00 0.00 O ATOM 0 H GLU B 8 10.225 9.292 -5.697 1.00 0.00 H new ATOM 0 HA GLU B 8 10.249 12.203 -6.130 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.573 11.477 -7.976 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.233 10.941 -8.141 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.720 8.721 -7.368 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.190 9.221 -6.676 1.00 0.00 H new ATOM 1778 N GLY B 9 8.362 11.721 -4.083 1.00 0.00 N ATOM 1779 CA GLY B 9 7.132 12.088 -3.339 1.00 0.00 C ATOM 1780 C GLY B 9 6.787 13.535 -3.722 1.00 0.00 C ATOM 1781 O GLY B 9 6.808 13.864 -4.892 1.00 0.00 O ATOM 0 H GLY B 9 9.189 11.557 -3.509 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.313 11.416 -3.594 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.292 12.002 -2.264 1.00 0.00 H new ATOM 1785 N PRO B 10 6.510 14.380 -2.756 1.00 0.00 N ATOM 1786 CA PRO B 10 6.207 15.794 -3.049 1.00 0.00 C ATOM 1787 C PRO B 10 7.465 16.473 -3.611 1.00 0.00 C ATOM 1788 O PRO B 10 7.603 17.682 -3.577 1.00 0.00 O ATOM 1789 CB PRO B 10 5.813 16.403 -1.689 1.00 0.00 C ATOM 1790 CG PRO B 10 5.988 15.299 -0.613 1.00 0.00 C ATOM 1791 CD PRO B 10 6.456 14.018 -1.325 1.00 0.00 C ATOM 0 HA PRO B 10 5.414 15.919 -3.786 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.440 17.265 -1.459 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.782 16.756 -1.712 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.717 15.608 0.136 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.048 15.123 -0.090 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.432 13.697 -0.961 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.764 13.194 -1.151 1.00 0.00 H new ATOM 1799 N SER B 11 8.382 15.695 -4.120 1.00 0.00 N ATOM 1800 CA SER B 11 9.641 16.264 -4.679 1.00 0.00 C ATOM 1801 C SER B 11 9.450 16.566 -6.167 1.00 0.00 C ATOM 1802 O SER B 11 9.936 17.555 -6.678 1.00 0.00 O ATOM 1803 CB SER B 11 10.771 15.245 -4.507 1.00 0.00 C ATOM 1804 OG SER B 11 12.009 15.853 -4.848 1.00 0.00 O ATOM 0 H SER B 11 8.311 14.679 -4.173 1.00 0.00 H new ATOM 0 HA SER B 11 9.892 17.185 -4.153 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.800 14.887 -3.478 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.593 14.377 -5.141 1.00 0.00 H new ATOM 0 HG SER B 11 12.734 15.203 -4.737 1.00 0.00 H new