USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=21 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 93 ASN : amide:sc= -3.34 K(o=-3.3,f=-1.7) USER MOD Set 1.2: A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 150:sc= -0.0587 (180deg=-0.637) 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+ -113:sc= 0.558 (180deg=0) 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 51:sc= 1.04 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -137:sc= -1.51 (180deg=-3.97!) USER MOD Single : A 43 HIS : no HD1:sc= -0.976 K(o=-0.98,f=-0.2) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 99:sc= 0.754 USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.119) 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= -0.457 X(o=-0.46,f=-0.79) USER MOD Single : A 63 GLN : amide:sc= -7.07! K(o=-7.1!,f=-0.084) USER MOD Single : A 67 SER OG : rot 70:sc= 0.812 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 76 THR OG1 : rot -61:sc= -0.865 USER MOD Single : A 78 GLN : amide:sc= -2.79 K(o=-2.8,f=-3.3!) USER MOD Single : A 81 LYS NZ :NH3+ 163:sc= 0.0492 (180deg=0.0136) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -1.41! K(o=-1.4!,f=-5e-05) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 126:sc= 1.23 USER MOD Single : A 94 LYS NZ :NH3+ -152:sc= -0.847 (180deg=-2.09!) USER MOD Single : A 100 THR OG1 : rot 71:sc= -0.204 USER MOD Single : A 102 ASN : amide:sc= -0.0319 K(o=-0.032,f=-0.82) USER MOD Single : B 5 TYR OH : rot -8:sc= -5.23! USER MOD Single : B 11 SER OG : rot -45:sc= 0.0732 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -3.837 -1.768 9.313 1.00 0.24 N ATOM 21 CA VAL A 2 -2.650 -1.746 8.403 1.00 0.19 C ATOM 22 C VAL A 2 -1.833 -3.028 8.606 1.00 0.22 C ATOM 23 O VAL A 2 -2.111 -3.819 9.485 1.00 0.28 O ATOM 24 CB VAL A 2 -1.786 -0.520 8.741 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.719 -0.304 7.657 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.682 0.721 8.831 1.00 0.30 C ATOM 0 HA VAL A 2 -2.976 -1.688 7.364 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.288 -0.688 9.696 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.115 0.567 7.910 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.079 -1.184 7.596 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -1.205 -0.142 6.695 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.073 1.593 9.071 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -3.182 0.879 7.875 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.429 0.575 9.611 1.00 0.30 H new ATOM 36 N LYS A 3 -0.823 -3.235 7.803 1.00 0.18 N ATOM 37 CA LYS A 3 0.021 -4.461 7.946 1.00 0.22 C ATOM 38 C LYS A 3 1.424 -4.167 7.414 1.00 0.16 C ATOM 39 O LYS A 3 1.590 -3.670 6.317 1.00 0.13 O ATOM 40 CB LYS A 3 -0.592 -5.619 7.146 1.00 0.26 C ATOM 41 CG LYS A 3 0.072 -6.933 7.563 1.00 0.34 C ATOM 42 CD LYS A 3 -0.496 -8.078 6.725 1.00 0.81 C ATOM 43 CE LYS A 3 0.251 -9.371 7.057 1.00 1.37 C ATOM 44 NZ LYS A 3 0.228 -9.593 8.531 1.00 1.97 N ATOM 0 H LYS A 3 -0.544 -2.606 7.050 1.00 0.18 H new ATOM 0 HA LYS A 3 0.071 -4.742 8.998 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.666 -5.669 7.323 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.453 -5.451 6.078 1.00 0.26 H new ATOM 0 HG2 LYS A 3 1.151 -6.868 7.425 1.00 0.34 H new ATOM 0 HG3 LYS A 3 -0.103 -7.121 8.622 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.560 -8.198 6.927 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -0.397 -7.850 5.664 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.213 -10.214 6.544 1.00 1.37 H new ATOM 0 HE3 LYS A 3 1.280 -9.310 6.704 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 0.249 -10.614 8.729 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 1.058 -9.139 8.963 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 -0.639 -9.181 8.931 1.00 1.97 H new ATOM 58 N GLN A 4 2.438 -4.463 8.184 1.00 0.18 N ATOM 59 CA GLN A 4 3.833 -4.194 7.724 1.00 0.15 C ATOM 60 C GLN A 4 4.363 -5.402 6.948 1.00 0.13 C ATOM 61 O GLN A 4 4.181 -6.539 7.337 1.00 0.14 O ATOM 62 CB GLN A 4 4.729 -3.923 8.942 1.00 0.20 C ATOM 63 CG GLN A 4 6.215 -4.010 8.543 1.00 0.21 C ATOM 64 CD GLN A 4 7.077 -3.275 9.573 1.00 0.27 C ATOM 65 OE1 GLN A 4 7.074 -3.615 10.740 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.822 -2.276 9.186 1.00 0.98 N ATOM 0 H GLN A 4 2.361 -4.880 9.112 1.00 0.18 H new ATOM 0 HA GLN A 4 3.838 -3.322 7.071 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.512 -2.935 9.349 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.514 -4.646 9.728 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.522 -5.054 8.478 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.361 -3.572 7.555 1.00 0.21 H new ATOM 0 HE21 GLN A 4 7.824 -1.991 8.207 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.402 -1.780 9.863 1.00 0.98 H new ATOM 75 N ILE A 5 5.031 -5.147 5.855 1.00 0.10 N ATOM 76 CA ILE A 5 5.609 -6.244 5.021 1.00 0.10 C ATOM 77 C ILE A 5 7.134 -6.161 5.104 1.00 0.10 C ATOM 78 O ILE A 5 7.756 -5.393 4.397 1.00 0.11 O ATOM 79 CB ILE A 5 5.199 -6.033 3.569 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.667 -5.887 3.445 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.713 -7.191 2.704 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.920 -7.034 4.146 1.00 0.19 C ATOM 0 H ILE A 5 5.204 -4.208 5.497 1.00 0.10 H new ATOM 0 HA ILE A 5 5.253 -7.211 5.376 1.00 0.10 H new ATOM 0 HB ILE A 5 5.649 -5.107 3.211 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.357 -4.935 3.877 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.389 -5.864 2.391 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.415 -7.031 1.668 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.800 -7.237 2.766 1.00 0.13 H new ATOM 0 HG23 ILE A 5 5.289 -8.129 3.063 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.845 -6.891 4.033 1.00 0.19 H new ATOM 0 HD12 ILE A 5 3.208 -7.984 3.697 1.00 0.19 H new ATOM 0 HD13 ILE A 5 3.176 -7.041 5.205 1.00 0.19 H new ATOM 94 N GLU A 6 7.743 -6.933 5.960 1.00 0.11 N ATOM 95 CA GLU A 6 9.232 -6.887 6.088 1.00 0.14 C ATOM 96 C GLU A 6 9.852 -8.032 5.286 1.00 0.14 C ATOM 97 O GLU A 6 11.056 -8.119 5.144 1.00 0.17 O ATOM 98 CB GLU A 6 9.607 -7.044 7.566 1.00 0.18 C ATOM 99 CG GLU A 6 9.217 -5.773 8.369 1.00 0.31 C ATOM 100 CD GLU A 6 10.465 -5.120 8.982 1.00 1.20 C ATOM 101 OE1 GLU A 6 11.110 -4.354 8.286 1.00 1.97 O ATOM 102 OE2 GLU A 6 10.752 -5.402 10.133 1.00 1.96 O ATOM 0 H GLU A 6 7.276 -7.596 6.579 1.00 0.11 H new ATOM 0 HA GLU A 6 9.605 -5.936 5.706 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.101 -7.914 7.984 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.678 -7.224 7.658 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.712 -5.063 7.714 1.00 0.31 H new ATOM 0 HG3 GLU A 6 8.512 -6.036 9.158 1.00 0.31 H new ATOM 109 N SER A 7 9.045 -8.912 4.757 1.00 0.13 N ATOM 110 CA SER A 7 9.599 -10.048 3.962 1.00 0.15 C ATOM 111 C SER A 7 8.568 -10.518 2.937 1.00 0.14 C ATOM 112 O SER A 7 7.376 -10.377 3.127 1.00 0.12 O ATOM 113 CB SER A 7 9.950 -11.200 4.900 1.00 0.20 C ATOM 114 OG SER A 7 8.808 -11.543 5.675 1.00 0.23 O ATOM 0 H SER A 7 8.029 -8.894 4.840 1.00 0.13 H new ATOM 0 HA SER A 7 10.496 -9.717 3.439 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.285 -12.063 4.324 1.00 0.20 H new ATOM 0 HB3 SER A 7 10.774 -10.913 5.554 1.00 0.20 H new ATOM 0 HG SER A 7 9.031 -12.284 6.277 1.00 0.23 H new ATOM 120 N LYS A 8 9.023 -11.073 1.850 1.00 0.15 N ATOM 121 CA LYS A 8 8.085 -11.555 0.801 1.00 0.14 C ATOM 122 C LYS A 8 7.041 -12.492 1.424 1.00 0.14 C ATOM 123 O LYS A 8 5.934 -12.612 0.939 1.00 0.13 O ATOM 124 CB LYS A 8 8.881 -12.308 -0.274 1.00 0.17 C ATOM 125 CG LYS A 8 8.049 -12.424 -1.552 1.00 0.21 C ATOM 126 CD LYS A 8 8.863 -13.150 -2.626 1.00 0.22 C ATOM 127 CE LYS A 8 8.064 -13.195 -3.931 1.00 1.06 C ATOM 128 NZ LYS A 8 8.763 -14.075 -4.909 1.00 1.90 N ATOM 0 H LYS A 8 10.012 -11.214 1.642 1.00 0.15 H new ATOM 0 HA LYS A 8 7.572 -10.705 0.352 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.813 -11.783 -0.483 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.148 -13.301 0.088 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.126 -12.968 -1.350 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.764 -11.433 -1.904 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.812 -12.638 -2.786 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.098 -14.162 -2.297 1.00 0.22 H new ATOM 0 HE2 LYS A 8 7.058 -13.570 -3.742 1.00 1.06 H new ATOM 0 HE3 LYS A 8 7.958 -12.190 -4.340 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 9.114 -13.502 -5.703 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 9.564 -14.546 -4.442 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 8.100 -14.792 -5.266 1.00 1.90 H new ATOM 142 N THR A 9 7.390 -13.162 2.490 1.00 0.16 N ATOM 143 CA THR A 9 6.423 -14.096 3.137 1.00 0.18 C ATOM 144 C THR A 9 5.169 -13.336 3.579 1.00 0.16 C ATOM 145 O THR A 9 4.057 -13.758 3.329 1.00 0.17 O ATOM 146 CB THR A 9 7.082 -14.742 4.353 1.00 0.21 C ATOM 147 OG1 THR A 9 8.259 -15.425 3.945 1.00 0.24 O ATOM 148 CG2 THR A 9 6.113 -15.733 5.001 1.00 0.25 C ATOM 0 H THR A 9 8.303 -13.103 2.941 1.00 0.16 H new ATOM 0 HA THR A 9 6.136 -14.865 2.420 1.00 0.18 H new ATOM 0 HB THR A 9 7.341 -13.969 5.077 1.00 0.21 H new ATOM 0 HG1 THR A 9 8.684 -15.839 4.725 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.588 -16.192 5.868 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.212 -15.207 5.316 1.00 0.25 H new ATOM 0 HG23 THR A 9 5.848 -16.507 4.281 1.00 0.25 H new ATOM 156 N ALA A 10 5.339 -12.226 4.238 1.00 0.16 N ATOM 157 CA ALA A 10 4.157 -11.442 4.704 1.00 0.17 C ATOM 158 C ALA A 10 3.426 -10.835 3.504 1.00 0.15 C ATOM 159 O ALA A 10 2.233 -10.610 3.544 1.00 0.17 O ATOM 160 CB ALA A 10 4.628 -10.320 5.630 1.00 0.20 C ATOM 0 H ALA A 10 6.246 -11.825 4.476 1.00 0.16 H new ATOM 0 HA ALA A 10 3.477 -12.104 5.240 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.767 -9.745 5.972 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.143 -10.750 6.490 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.310 -9.664 5.089 1.00 0.20 H new ATOM 166 N PHE A 11 4.130 -10.560 2.442 1.00 0.12 N ATOM 167 CA PHE A 11 3.468 -9.958 1.249 1.00 0.11 C ATOM 168 C PHE A 11 2.366 -10.886 0.739 1.00 0.13 C ATOM 169 O PHE A 11 1.199 -10.558 0.790 1.00 0.16 O ATOM 170 CB PHE A 11 4.503 -9.735 0.144 1.00 0.10 C ATOM 171 CG PHE A 11 3.823 -9.160 -1.079 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.315 -7.848 -1.046 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.703 -9.930 -2.254 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.687 -7.305 -2.183 1.00 0.20 C ATOM 175 CE2 PHE A 11 3.075 -9.386 -3.391 1.00 0.18 C ATOM 176 CZ PHE A 11 2.566 -8.075 -3.355 1.00 0.21 C ATOM 0 H PHE A 11 5.132 -10.725 2.347 1.00 0.12 H new ATOM 0 HA PHE A 11 3.027 -9.002 1.532 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.282 -9.056 0.493 1.00 0.10 H new ATOM 0 HB3 PHE A 11 4.990 -10.677 -0.107 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.407 -7.257 -0.147 1.00 0.16 H new ATOM 0 HD2 PHE A 11 4.093 -10.937 -2.282 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.298 -6.298 -2.156 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.984 -9.976 -4.291 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.082 -7.659 -4.227 1.00 0.21 H new ATOM 186 N GLN A 12 2.723 -12.036 0.239 1.00 0.15 N ATOM 187 CA GLN A 12 1.687 -12.971 -0.285 1.00 0.19 C ATOM 188 C GLN A 12 0.652 -13.258 0.805 1.00 0.17 C ATOM 189 O GLN A 12 -0.537 -13.273 0.556 1.00 0.16 O ATOM 190 CB GLN A 12 2.352 -14.281 -0.714 1.00 0.24 C ATOM 191 CG GLN A 12 3.252 -14.024 -1.923 1.00 1.21 C ATOM 192 CD GLN A 12 4.038 -15.294 -2.253 1.00 1.77 C ATOM 193 OE1 GLN A 12 5.152 -15.468 -1.802 1.00 2.35 O ATOM 194 NE2 GLN A 12 3.500 -16.197 -3.028 1.00 2.47 N ATOM 0 H GLN A 12 3.685 -12.369 0.170 1.00 0.15 H new ATOM 0 HA GLN A 12 1.191 -12.516 -1.142 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.938 -14.690 0.109 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.593 -15.022 -0.964 1.00 0.24 H new ATOM 0 HG2 GLN A 12 2.650 -13.723 -2.780 1.00 1.21 H new ATOM 0 HG3 GLN A 12 3.938 -13.204 -1.711 1.00 1.21 H new ATOM 0 HE21 GLN A 12 2.564 -16.052 -3.407 1.00 2.47 H new ATOM 0 HE22 GLN A 12 4.015 -17.048 -3.254 1.00 2.47 H new ATOM 203 N GLU A 13 1.093 -13.490 2.010 1.00 0.19 N ATOM 204 CA GLU A 13 0.133 -13.780 3.109 1.00 0.20 C ATOM 205 C GLU A 13 -0.841 -12.610 3.272 1.00 0.18 C ATOM 206 O GLU A 13 -2.007 -12.799 3.556 1.00 0.19 O ATOM 207 CB GLU A 13 0.910 -13.988 4.413 1.00 0.25 C ATOM 208 CG GLU A 13 1.546 -15.381 4.429 1.00 0.30 C ATOM 209 CD GLU A 13 0.456 -16.441 4.596 1.00 1.29 C ATOM 210 OE1 GLU A 13 -0.552 -16.133 5.210 1.00 2.03 O ATOM 211 OE2 GLU A 13 0.648 -17.543 4.108 1.00 2.10 O ATOM 0 H GLU A 13 2.077 -13.491 2.280 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.432 -14.681 2.869 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.683 -13.226 4.511 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.241 -13.875 5.266 1.00 0.25 H new ATOM 0 HG2 GLU A 13 2.095 -15.552 3.503 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.266 -15.454 5.244 1.00 0.30 H new ATOM 218 N ALA A 14 -0.378 -11.402 3.101 1.00 0.18 N ATOM 219 CA ALA A 14 -1.285 -10.231 3.257 1.00 0.18 C ATOM 220 C ALA A 14 -2.427 -10.324 2.234 1.00 0.18 C ATOM 221 O ALA A 14 -3.584 -10.138 2.557 1.00 0.19 O ATOM 222 CB ALA A 14 -0.490 -8.945 3.024 1.00 0.20 C ATOM 0 H ALA A 14 0.587 -11.176 2.861 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.705 -10.224 4.263 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -1.149 -8.084 3.137 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.319 -8.880 3.752 1.00 0.20 H new ATOM 0 HB3 ALA A 14 -0.073 -8.953 2.017 1.00 0.20 H new ATOM 228 N LEU A 15 -2.103 -10.607 1.001 1.00 0.17 N ATOM 229 CA LEU A 15 -3.153 -10.708 -0.060 1.00 0.18 C ATOM 230 C LEU A 15 -4.100 -11.876 0.238 1.00 0.18 C ATOM 231 O LEU A 15 -5.297 -11.778 0.052 1.00 0.18 O ATOM 232 CB LEU A 15 -2.479 -10.937 -1.422 1.00 0.19 C ATOM 233 CG LEU A 15 -1.216 -10.076 -1.535 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.649 -10.196 -2.952 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.562 -8.610 -1.248 1.00 0.62 C ATOM 0 H LEU A 15 -1.150 -10.774 0.679 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.727 -9.782 -0.079 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.222 -11.990 -1.537 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.172 -10.688 -2.226 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.477 -10.420 -0.812 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.250 -9.585 -3.037 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.401 -11.237 -3.158 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.392 -9.851 -3.671 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.662 -8.001 -1.329 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.301 -8.263 -1.970 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.969 -8.523 -0.241 1.00 0.62 H new ATOM 247 N ASP A 16 -3.574 -12.985 0.676 1.00 0.19 N ATOM 248 CA ASP A 16 -4.441 -14.165 0.960 1.00 0.21 C ATOM 249 C ASP A 16 -5.418 -13.854 2.102 1.00 0.20 C ATOM 250 O ASP A 16 -6.586 -14.180 2.032 1.00 0.20 O ATOM 251 CB ASP A 16 -3.561 -15.356 1.350 1.00 0.24 C ATOM 252 CG ASP A 16 -4.385 -16.643 1.294 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.042 -16.860 0.289 1.00 1.07 O ATOM 254 OD2 ASP A 16 -4.342 -17.394 2.255 1.00 1.09 O ATOM 0 H ASP A 16 -2.579 -13.127 0.850 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.016 -14.404 0.065 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.709 -15.428 0.674 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -3.161 -15.212 2.354 1.00 0.24 H new ATOM 259 N ALA A 17 -4.950 -13.247 3.158 1.00 0.22 N ATOM 260 CA ALA A 17 -5.858 -12.943 4.305 1.00 0.24 C ATOM 261 C ALA A 17 -6.709 -11.704 4.002 1.00 0.21 C ATOM 262 O ALA A 17 -7.688 -11.440 4.672 1.00 0.22 O ATOM 263 CB ALA A 17 -5.018 -12.685 5.558 1.00 0.30 C ATOM 0 H ALA A 17 -3.982 -12.949 3.278 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.520 -13.794 4.466 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -5.676 -12.463 6.398 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -4.424 -13.570 5.787 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -4.354 -11.838 5.383 1.00 0.30 H new ATOM 269 N ALA A 18 -6.349 -10.942 3.007 1.00 0.21 N ATOM 270 CA ALA A 18 -7.148 -9.725 2.679 1.00 0.22 C ATOM 271 C ALA A 18 -8.516 -10.137 2.131 1.00 0.21 C ATOM 272 O ALA A 18 -9.383 -9.311 1.920 1.00 0.24 O ATOM 273 CB ALA A 18 -6.405 -8.900 1.627 1.00 0.23 C ATOM 0 H ALA A 18 -5.540 -11.107 2.408 1.00 0.21 H new ATOM 0 HA ALA A 18 -7.287 -9.129 3.581 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.986 -8.010 1.385 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.432 -8.603 2.018 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.266 -9.498 0.727 1.00 0.23 H new ATOM 279 N GLY A 19 -8.721 -11.403 1.898 1.00 0.22 N ATOM 280 CA GLY A 19 -10.035 -11.854 1.361 1.00 0.24 C ATOM 281 C GLY A 19 -10.222 -11.291 -0.049 1.00 0.20 C ATOM 282 O GLY A 19 -9.379 -11.457 -0.908 1.00 0.28 O ATOM 0 H GLY A 19 -8.037 -12.143 2.056 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -10.078 -12.943 1.339 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.842 -11.516 2.011 1.00 0.24 H new ATOM 286 N ASP A 20 -11.324 -10.620 -0.289 1.00 0.13 N ATOM 287 CA ASP A 20 -11.585 -10.030 -1.642 1.00 0.18 C ATOM 288 C ASP A 20 -11.655 -8.506 -1.524 1.00 0.15 C ATOM 289 O ASP A 20 -11.956 -7.814 -2.478 1.00 0.22 O ATOM 290 CB ASP A 20 -12.918 -10.563 -2.177 1.00 0.26 C ATOM 291 CG ASP A 20 -13.080 -10.162 -3.644 1.00 1.43 C ATOM 292 OD1 ASP A 20 -12.194 -9.499 -4.158 1.00 2.21 O ATOM 293 OD2 ASP A 20 -14.088 -10.524 -4.229 1.00 2.19 O ATOM 0 H ASP A 20 -12.059 -10.455 0.399 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.782 -10.306 -2.325 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -12.952 -11.648 -2.080 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -13.743 -10.164 -1.587 1.00 0.26 H new ATOM 298 N LYS A 21 -11.381 -7.973 -0.361 1.00 0.12 N ATOM 299 CA LYS A 21 -11.428 -6.497 -0.184 1.00 0.19 C ATOM 300 C LYS A 21 -10.283 -5.854 -0.965 1.00 0.15 C ATOM 301 O LYS A 21 -9.330 -6.507 -1.341 1.00 0.15 O ATOM 302 CB LYS A 21 -11.298 -6.183 1.302 1.00 0.27 C ATOM 303 CG LYS A 21 -12.162 -7.181 2.086 1.00 0.29 C ATOM 304 CD LYS A 21 -12.301 -6.742 3.549 1.00 0.30 C ATOM 305 CE LYS A 21 -11.100 -7.216 4.373 1.00 1.12 C ATOM 306 NZ LYS A 21 -11.351 -8.601 4.859 1.00 1.90 N ATOM 0 H LYS A 21 -11.126 -8.501 0.474 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.371 -6.099 -0.559 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.256 -6.255 1.615 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.621 -5.162 1.503 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.148 -7.255 1.628 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -11.714 -8.173 2.040 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -12.379 -5.656 3.602 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -13.220 -7.149 3.970 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -10.195 -7.190 3.766 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -10.937 -6.546 5.217 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -10.537 -8.925 5.419 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -12.205 -8.611 5.452 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -11.486 -9.235 4.046 1.00 1.90 H new ATOM 320 N LEU A 22 -10.372 -4.580 -1.221 1.00 0.13 N ATOM 321 CA LEU A 22 -9.294 -3.908 -1.986 1.00 0.11 C ATOM 322 C LEU A 22 -7.994 -3.976 -1.171 1.00 0.10 C ATOM 323 O LEU A 22 -8.018 -4.157 0.031 1.00 0.11 O ATOM 324 CB LEU A 22 -9.701 -2.436 -2.239 1.00 0.12 C ATOM 325 CG LEU A 22 -9.479 -2.018 -3.703 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.739 -0.511 -3.824 1.00 0.17 C ATOM 327 CD2 LEU A 22 -8.037 -2.316 -4.147 1.00 0.11 C ATOM 0 H LEU A 22 -11.144 -3.978 -0.933 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.138 -4.401 -2.946 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.751 -2.301 -1.979 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.124 -1.783 -1.584 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.160 -2.582 -4.340 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.586 -0.197 -4.857 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.765 -0.294 -3.527 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.051 0.030 -3.175 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.906 -2.011 -5.185 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.341 -1.764 -3.516 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.841 -3.384 -4.055 1.00 0.11 H new ATOM 339 N VAL A 23 -6.865 -3.822 -1.812 1.00 0.08 N ATOM 340 CA VAL A 23 -5.568 -3.870 -1.071 1.00 0.09 C ATOM 341 C VAL A 23 -4.586 -2.887 -1.708 1.00 0.08 C ATOM 342 O VAL A 23 -4.057 -3.129 -2.775 1.00 0.09 O ATOM 343 CB VAL A 23 -4.986 -5.284 -1.146 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.772 -5.388 -0.219 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.046 -6.296 -0.706 1.00 0.10 C ATOM 0 H VAL A 23 -6.784 -3.665 -2.817 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.736 -3.601 -0.028 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.681 -5.495 -2.171 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.358 -6.395 -0.273 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.015 -4.668 -0.529 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.077 -5.176 0.806 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.632 -7.303 -0.759 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.350 -6.082 0.319 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.912 -6.225 -1.364 1.00 0.10 H new ATOM 355 N VAL A 24 -4.329 -1.780 -1.053 1.00 0.08 N ATOM 356 CA VAL A 24 -3.370 -0.773 -1.604 1.00 0.08 C ATOM 357 C VAL A 24 -2.046 -0.899 -0.852 1.00 0.08 C ATOM 358 O VAL A 24 -2.016 -1.003 0.359 1.00 0.08 O ATOM 359 CB VAL A 24 -3.941 0.639 -1.430 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.181 1.617 -2.329 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.424 0.641 -1.810 1.00 0.09 C ATOM 0 H VAL A 24 -4.745 -1.530 -0.156 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.210 -0.953 -2.667 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.832 0.947 -0.390 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.589 2.620 -2.203 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.126 1.618 -2.055 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.286 1.311 -3.370 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.830 1.645 -1.686 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.534 0.331 -2.849 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -5.966 -0.051 -1.166 1.00 0.09 H new ATOM 371 N VAL A 25 -0.952 -0.909 -1.567 1.00 0.09 N ATOM 372 CA VAL A 25 0.391 -1.047 -0.923 1.00 0.09 C ATOM 373 C VAL A 25 1.149 0.270 -1.045 1.00 0.10 C ATOM 374 O VAL A 25 1.179 0.885 -2.093 1.00 0.17 O ATOM 375 CB VAL A 25 1.178 -2.145 -1.642 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.348 -2.605 -0.771 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.255 -3.331 -1.922 1.00 0.09 C ATOM 0 H VAL A 25 -0.930 -0.826 -2.583 1.00 0.09 H new ATOM 0 HA VAL A 25 0.269 -1.303 0.129 1.00 0.09 H new ATOM 0 HB VAL A 25 1.565 -1.751 -2.582 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.903 -3.387 -1.290 1.00 0.12 H new ATOM 0 HG12 VAL A 25 3.009 -1.761 -0.574 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.967 -2.996 0.173 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.814 -4.114 -2.434 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.134 -3.719 -0.981 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.574 -3.006 -2.551 1.00 0.09 H new ATOM 387 N ASP A 26 1.772 0.699 0.019 1.00 0.08 N ATOM 388 CA ASP A 26 2.547 1.972 -0.014 1.00 0.08 C ATOM 389 C ASP A 26 4.039 1.654 -0.019 1.00 0.08 C ATOM 390 O ASP A 26 4.616 1.313 0.995 1.00 0.09 O ATOM 391 CB ASP A 26 2.206 2.802 1.226 1.00 0.09 C ATOM 392 CG ASP A 26 3.101 4.043 1.276 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.657 4.391 0.248 1.00 0.93 O ATOM 394 OD2 ASP A 26 3.215 4.623 2.344 1.00 0.96 O ATOM 0 H ASP A 26 1.777 0.217 0.918 1.00 0.08 H new ATOM 0 HA ASP A 26 2.292 2.535 -0.912 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.157 3.098 1.200 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.346 2.204 2.126 1.00 0.09 H new ATOM 399 N PHE A 27 4.675 1.777 -1.150 1.00 0.08 N ATOM 400 CA PHE A 27 6.134 1.499 -1.222 1.00 0.09 C ATOM 401 C PHE A 27 6.871 2.791 -0.878 1.00 0.11 C ATOM 402 O PHE A 27 7.326 3.503 -1.750 1.00 0.13 O ATOM 403 CB PHE A 27 6.496 1.076 -2.648 1.00 0.10 C ATOM 404 CG PHE A 27 6.146 -0.381 -2.878 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.822 -0.759 -3.180 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.154 -1.358 -2.811 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.513 -2.116 -3.410 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.845 -2.712 -3.043 1.00 0.21 C ATOM 409 CZ PHE A 27 5.525 -3.090 -3.342 1.00 0.23 C ATOM 0 H PHE A 27 4.244 2.059 -2.031 1.00 0.08 H new ATOM 0 HA PHE A 27 6.409 0.703 -0.530 1.00 0.09 H new ATOM 0 HB2 PHE A 27 5.963 1.701 -3.365 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.561 1.231 -2.820 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.045 -0.011 -3.235 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.169 -1.069 -2.581 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.498 -2.407 -3.638 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.622 -3.460 -2.991 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.288 -4.129 -3.520 1.00 0.23 H new ATOM 419 N SER A 28 6.975 3.100 0.390 1.00 0.11 N ATOM 420 CA SER A 28 7.674 4.351 0.824 1.00 0.12 C ATOM 421 C SER A 28 8.928 3.987 1.615 1.00 0.10 C ATOM 422 O SER A 28 8.968 2.991 2.309 1.00 0.11 O ATOM 423 CB SER A 28 6.740 5.169 1.715 1.00 0.17 C ATOM 424 OG SER A 28 5.651 5.650 0.937 1.00 1.03 O ATOM 0 H SER A 28 6.602 2.534 1.152 1.00 0.11 H new ATOM 0 HA SER A 28 7.952 4.934 -0.054 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.372 4.555 2.537 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.281 6.004 2.159 1.00 0.17 H new ATOM 0 HG SER A 28 5.247 4.905 0.444 1.00 1.03 H new ATOM 430 N ALA A 29 9.949 4.795 1.533 1.00 0.10 N ATOM 431 CA ALA A 29 11.197 4.508 2.297 1.00 0.15 C ATOM 432 C ALA A 29 11.109 5.216 3.656 1.00 0.18 C ATOM 433 O ALA A 29 10.878 6.406 3.733 1.00 0.26 O ATOM 434 CB ALA A 29 12.400 5.026 1.498 1.00 0.19 C ATOM 0 H ALA A 29 9.973 5.644 0.968 1.00 0.10 H new ATOM 0 HA ALA A 29 11.316 3.436 2.457 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.318 4.821 2.049 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.437 4.525 0.531 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.300 6.101 1.346 1.00 0.19 H new ATOM 440 N THR A 30 11.276 4.489 4.727 1.00 0.18 N ATOM 441 CA THR A 30 11.184 5.113 6.079 1.00 0.23 C ATOM 442 C THR A 30 12.331 6.107 6.286 1.00 0.26 C ATOM 443 O THR A 30 12.232 7.021 7.081 1.00 0.31 O ATOM 444 CB THR A 30 11.259 4.022 7.148 1.00 0.26 C ATOM 445 OG1 THR A 30 11.194 4.618 8.436 1.00 0.32 O ATOM 446 CG2 THR A 30 12.574 3.255 7.005 1.00 0.28 C ATOM 0 H THR A 30 11.473 3.488 4.725 1.00 0.18 H new ATOM 0 HA THR A 30 10.236 5.645 6.158 1.00 0.23 H new ATOM 0 HB THR A 30 10.424 3.333 7.024 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.240 3.920 9.122 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.627 2.478 7.767 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.623 2.798 6.017 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.411 3.942 7.129 1.00 0.28 H new ATOM 454 N TRP A 31 13.423 5.935 5.591 1.00 0.26 N ATOM 455 CA TRP A 31 14.577 6.868 5.766 1.00 0.32 C ATOM 456 C TRP A 31 14.432 8.061 4.822 1.00 0.32 C ATOM 457 O TRP A 31 15.142 9.041 4.930 1.00 0.36 O ATOM 458 CB TRP A 31 15.879 6.127 5.443 1.00 0.34 C ATOM 459 CG TRP A 31 15.915 5.763 3.994 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.520 4.575 3.481 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.364 6.566 2.867 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.703 4.596 2.110 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.216 5.801 1.681 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.883 7.876 2.758 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.570 6.318 0.426 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.239 8.401 1.499 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.082 7.623 0.335 1.00 0.40 C ATOM 0 H TRP A 31 13.567 5.190 4.910 1.00 0.26 H new ATOM 0 HA TRP A 31 14.596 7.224 6.796 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.735 6.755 5.690 1.00 0.34 H new ATOM 0 HB3 TRP A 31 15.956 5.228 6.054 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.126 3.745 4.049 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.485 3.815 1.492 1.00 0.25 H new ATOM 0 HE3 TRP A 31 17.008 8.479 3.645 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.450 5.717 -0.463 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.634 9.404 1.427 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.355 8.030 -0.627 1.00 0.40 H new ATOM 478 N CYS A 32 13.528 7.981 3.887 1.00 0.28 N ATOM 479 CA CYS A 32 13.346 9.098 2.917 1.00 0.30 C ATOM 480 C CYS A 32 12.237 10.035 3.403 1.00 0.31 C ATOM 481 O CYS A 32 11.163 9.612 3.783 1.00 0.29 O ATOM 482 CB CYS A 32 12.986 8.496 1.557 1.00 0.28 C ATOM 483 SG CYS A 32 13.422 9.653 0.235 1.00 0.32 S ATOM 0 H CYS A 32 12.904 7.186 3.751 1.00 0.28 H new ATOM 0 HA CYS A 32 14.264 9.680 2.830 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.514 7.553 1.416 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.920 8.273 1.519 1.00 0.28 H new ATOM 488 N GLY A 33 12.507 11.311 3.400 1.00 0.34 N ATOM 489 CA GLY A 33 11.501 12.304 3.864 1.00 0.36 C ATOM 490 C GLY A 33 10.312 12.382 2.896 1.00 0.35 C ATOM 491 O GLY A 33 9.198 12.143 3.298 1.00 0.33 O ATOM 0 H GLY A 33 13.393 11.711 3.092 1.00 0.34 H new ATOM 0 HA2 GLY A 33 11.147 12.030 4.858 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.968 13.285 3.951 1.00 0.36 H new ATOM 495 N PRO A 34 10.571 12.739 1.653 1.00 0.37 N ATOM 496 CA PRO A 34 9.499 12.887 0.643 1.00 0.38 C ATOM 497 C PRO A 34 8.535 11.692 0.664 1.00 0.35 C ATOM 498 O PRO A 34 7.337 11.856 0.539 1.00 0.36 O ATOM 499 CB PRO A 34 10.251 13.000 -0.704 1.00 0.42 C ATOM 500 CG PRO A 34 11.742 13.287 -0.365 1.00 0.44 C ATOM 501 CD PRO A 34 11.933 13.012 1.144 1.00 0.40 C ATOM 0 HA PRO A 34 8.870 13.757 0.832 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.156 12.078 -1.278 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.833 13.800 -1.314 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.400 12.651 -0.957 1.00 0.44 H new ATOM 0 HG3 PRO A 34 11.998 14.320 -0.603 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.595 12.163 1.311 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.380 13.868 1.649 1.00 0.40 H new ATOM 509 N ALA A 35 9.029 10.501 0.821 1.00 0.33 N ATOM 510 CA ALA A 35 8.111 9.329 0.847 1.00 0.32 C ATOM 511 C ALA A 35 7.384 9.297 2.193 1.00 0.39 C ATOM 512 O ALA A 35 6.171 9.302 2.262 1.00 0.81 O ATOM 513 CB ALA A 35 8.923 8.045 0.661 1.00 0.36 C ATOM 0 H ALA A 35 10.020 10.286 0.932 1.00 0.33 H new ATOM 0 HA ALA A 35 7.381 9.408 0.042 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.253 7.185 0.680 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.443 8.079 -0.296 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.651 7.955 1.467 1.00 0.36 H new ATOM 519 N LYS A 36 8.125 9.275 3.262 1.00 0.30 N ATOM 520 CA LYS A 36 7.506 9.255 4.618 1.00 0.28 C ATOM 521 C LYS A 36 6.628 10.496 4.805 1.00 0.24 C ATOM 522 O LYS A 36 5.743 10.525 5.637 1.00 0.25 O ATOM 523 CB LYS A 36 8.635 9.262 5.655 1.00 0.35 C ATOM 524 CG LYS A 36 8.073 9.025 7.056 1.00 0.38 C ATOM 525 CD LYS A 36 9.186 9.241 8.087 1.00 0.49 C ATOM 526 CE LYS A 36 8.728 8.740 9.459 1.00 1.22 C ATOM 527 NZ LYS A 36 9.881 8.762 10.404 1.00 1.92 N ATOM 0 H LYS A 36 9.145 9.270 3.256 1.00 0.30 H new ATOM 0 HA LYS A 36 6.886 8.367 4.737 1.00 0.28 H new ATOM 0 HB2 LYS A 36 9.364 8.489 5.413 1.00 0.35 H new ATOM 0 HB3 LYS A 36 9.160 10.217 5.624 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.245 9.707 7.249 1.00 0.38 H new ATOM 0 HG3 LYS A 36 7.678 8.012 7.136 1.00 0.38 H new ATOM 0 HD2 LYS A 36 10.087 8.711 7.779 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.442 10.299 8.143 1.00 0.49 H new ATOM 0 HE2 LYS A 36 7.921 9.368 9.837 1.00 1.22 H new ATOM 0 HE3 LYS A 36 8.331 7.728 9.375 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 9.572 8.422 11.337 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 10.637 8.145 10.044 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 10.240 9.734 10.491 1.00 1.92 H new ATOM 541 N MET A 37 6.875 11.524 4.044 1.00 0.23 N ATOM 542 CA MET A 37 6.072 12.772 4.181 1.00 0.24 C ATOM 543 C MET A 37 4.594 12.493 3.893 1.00 0.20 C ATOM 544 O MET A 37 3.727 13.236 4.312 1.00 0.20 O ATOM 545 CB MET A 37 6.591 13.825 3.190 1.00 0.29 C ATOM 546 CG MET A 37 6.054 15.208 3.568 1.00 1.31 C ATOM 547 SD MET A 37 6.948 15.822 5.017 1.00 2.12 S ATOM 548 CE MET A 37 6.430 17.551 4.887 1.00 3.13 C ATOM 0 H MET A 37 7.602 11.555 3.329 1.00 0.23 H new ATOM 0 HA MET A 37 6.170 13.141 5.202 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.681 13.835 3.195 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.279 13.569 2.178 1.00 0.29 H new ATOM 0 HG2 MET A 37 6.174 15.898 2.733 1.00 1.31 H new ATOM 0 HG3 MET A 37 4.987 15.150 3.782 1.00 1.31 H new ATOM 0 HE1 MET A 37 6.875 18.126 5.699 1.00 3.13 H new ATOM 0 HE2 MET A 37 6.759 17.959 3.931 1.00 3.13 H new ATOM 0 HE3 MET A 37 5.344 17.611 4.952 1.00 3.13 H new ATOM 558 N ILE A 38 4.293 11.451 3.156 1.00 0.18 N ATOM 559 CA ILE A 38 2.863 11.160 2.813 1.00 0.15 C ATOM 560 C ILE A 38 2.261 10.120 3.754 1.00 0.16 C ATOM 561 O ILE A 38 1.197 9.597 3.499 1.00 0.16 O ATOM 562 CB ILE A 38 2.774 10.642 1.376 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.501 11.631 0.447 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.289 10.498 0.955 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.545 11.084 -0.997 1.00 0.28 C ATOM 0 H ILE A 38 4.972 10.791 2.778 1.00 0.18 H new ATOM 0 HA ILE A 38 2.300 12.087 2.918 1.00 0.15 H new ATOM 0 HB ILE A 38 3.246 9.662 1.305 1.00 0.16 H new ATOM 0 HG12 ILE A 38 2.992 12.595 0.462 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.515 11.801 0.809 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.235 10.129 -0.069 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.789 9.795 1.621 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.797 11.469 1.017 1.00 0.17 H new ATOM 0 HD11 ILE A 38 4.062 11.796 -1.640 1.00 0.28 H new ATOM 0 HD12 ILE A 38 4.075 10.132 -1.009 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.528 10.938 -1.362 1.00 0.28 H new ATOM 577 N LYS A 39 2.898 9.822 4.851 1.00 0.19 N ATOM 578 CA LYS A 39 2.292 8.820 5.764 1.00 0.22 C ATOM 579 C LYS A 39 0.980 9.320 6.395 1.00 0.20 C ATOM 580 O LYS A 39 0.134 8.511 6.690 1.00 0.21 O ATOM 581 CB LYS A 39 3.280 8.359 6.874 1.00 0.31 C ATOM 582 CG LYS A 39 3.383 9.372 8.045 1.00 0.34 C ATOM 583 CD LYS A 39 3.885 8.674 9.320 1.00 0.45 C ATOM 584 CE LYS A 39 5.131 7.840 9.020 1.00 1.16 C ATOM 585 NZ LYS A 39 4.720 6.478 8.579 1.00 1.62 N ATOM 0 H LYS A 39 3.790 10.218 5.149 1.00 0.19 H new ATOM 0 HA LYS A 39 2.058 7.957 5.140 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.958 7.393 7.263 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.268 8.214 6.437 1.00 0.31 H new ATOM 0 HG2 LYS A 39 4.062 10.181 7.775 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.408 9.823 8.230 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.114 9.418 10.083 1.00 0.45 H new ATOM 0 HD3 LYS A 39 3.101 8.034 9.724 1.00 0.45 H new ATOM 0 HE2 LYS A 39 5.726 8.321 8.244 1.00 1.16 H new ATOM 0 HE3 LYS A 39 5.760 7.773 9.908 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 5.326 5.767 9.037 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.729 6.311 8.846 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 4.818 6.403 7.546 1.00 1.62 H new ATOM 599 N PRO A 40 0.829 10.606 6.659 1.00 0.20 N ATOM 600 CA PRO A 40 -0.388 11.065 7.339 1.00 0.21 C ATOM 601 C PRO A 40 -1.626 10.844 6.463 1.00 0.17 C ATOM 602 O PRO A 40 -2.743 11.006 6.911 1.00 0.20 O ATOM 603 CB PRO A 40 -0.151 12.563 7.623 1.00 0.24 C ATOM 604 CG PRO A 40 1.264 12.921 7.087 1.00 0.25 C ATOM 605 CD PRO A 40 1.782 11.693 6.314 1.00 0.21 C ATOM 0 HA PRO A 40 -0.577 10.510 8.258 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.912 13.171 7.134 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.219 12.766 8.692 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.219 13.794 6.436 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.935 13.170 7.909 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.800 11.879 5.240 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.799 11.438 6.610 1.00 0.21 H new ATOM 613 N PHE A 41 -1.439 10.486 5.221 1.00 0.14 N ATOM 614 CA PHE A 41 -2.607 10.262 4.313 1.00 0.14 C ATOM 615 C PHE A 41 -2.840 8.765 4.131 1.00 0.11 C ATOM 616 O PHE A 41 -3.796 8.211 4.631 1.00 0.13 O ATOM 617 CB PHE A 41 -2.306 10.899 2.952 1.00 0.15 C ATOM 618 CG PHE A 41 -2.529 12.388 3.041 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.495 13.227 3.495 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.773 12.932 2.673 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.707 14.617 3.582 1.00 0.23 C ATOM 622 CE2 PHE A 41 -3.985 14.322 2.759 1.00 0.30 C ATOM 623 CZ PHE A 41 -2.952 15.164 3.213 1.00 0.27 C ATOM 0 H PHE A 41 -0.525 10.338 4.792 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.500 10.712 4.747 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.277 10.690 2.659 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -2.950 10.468 2.185 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.541 12.806 3.776 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.564 12.285 2.325 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -0.915 15.263 3.931 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -4.939 14.742 2.477 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.114 16.230 3.278 1.00 0.27 H new ATOM 633 N PHE A 42 -1.977 8.113 3.411 1.00 0.10 N ATOM 634 CA PHE A 42 -2.143 6.652 3.168 1.00 0.11 C ATOM 635 C PHE A 42 -2.512 5.927 4.469 1.00 0.11 C ATOM 636 O PHE A 42 -3.482 5.198 4.526 1.00 0.12 O ATOM 637 CB PHE A 42 -0.829 6.102 2.612 1.00 0.13 C ATOM 638 CG PHE A 42 -0.929 4.609 2.451 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.625 4.071 1.357 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.315 3.754 3.386 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.711 2.679 1.195 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.403 2.359 3.227 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.101 1.820 2.130 1.00 0.10 C ATOM 0 H PHE A 42 -1.155 8.531 2.975 1.00 0.10 H new ATOM 0 HA PHE A 42 -2.949 6.488 2.453 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.607 6.567 1.651 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.007 6.350 3.283 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.094 4.728 0.640 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.223 4.169 4.225 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.246 2.266 0.352 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.064 1.702 3.946 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.169 0.749 2.005 1.00 0.10 H new ATOM 653 N HIS A 43 -1.754 6.115 5.513 1.00 0.14 N ATOM 654 CA HIS A 43 -2.077 5.428 6.800 1.00 0.16 C ATOM 655 C HIS A 43 -3.379 6.000 7.385 1.00 0.16 C ATOM 656 O HIS A 43 -4.142 5.291 8.010 1.00 0.18 O ATOM 657 CB HIS A 43 -0.904 5.615 7.787 1.00 0.21 C ATOM 658 CG HIS A 43 -1.388 5.539 9.213 1.00 0.27 C ATOM 659 ND1 HIS A 43 -1.300 4.382 9.967 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.994 6.471 10.018 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.844 4.643 11.171 1.00 0.41 C ATOM 662 NE2 HIS A 43 -2.283 5.903 11.255 1.00 0.39 N ATOM 0 H HIS A 43 -0.927 6.712 5.534 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.221 4.362 6.623 1.00 0.16 H new ATOM 0 HB2 HIS A 43 -0.150 4.847 7.613 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.425 6.578 7.611 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -2.213 7.490 9.735 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.917 3.922 11.972 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -2.733 6.351 12.053 1.00 0.39 H new ATOM 670 N SER A 44 -3.631 7.264 7.207 1.00 0.20 N ATOM 671 CA SER A 44 -4.878 7.852 7.777 1.00 0.25 C ATOM 672 C SER A 44 -6.103 7.147 7.188 1.00 0.20 C ATOM 673 O SER A 44 -7.068 6.888 7.879 1.00 0.21 O ATOM 674 CB SER A 44 -4.943 9.345 7.454 1.00 0.34 C ATOM 675 OG SER A 44 -6.295 9.776 7.507 1.00 0.97 O ATOM 0 H SER A 44 -3.034 7.914 6.696 1.00 0.20 H new ATOM 0 HA SER A 44 -4.871 7.717 8.859 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.341 9.910 8.166 1.00 0.34 H new ATOM 0 HB3 SER A 44 -4.527 9.534 6.464 1.00 0.34 H new ATOM 0 HG SER A 44 -6.341 10.733 7.302 1.00 0.97 H new ATOM 681 N LEU A 45 -6.076 6.834 5.922 1.00 0.18 N ATOM 682 CA LEU A 45 -7.248 6.147 5.306 1.00 0.18 C ATOM 683 C LEU A 45 -7.602 4.907 6.131 1.00 0.16 C ATOM 684 O LEU A 45 -8.667 4.339 5.991 1.00 0.23 O ATOM 685 CB LEU A 45 -6.905 5.719 3.874 1.00 0.19 C ATOM 686 CG LEU A 45 -6.480 6.934 3.038 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.099 6.464 1.631 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.636 7.946 2.948 1.00 0.50 C ATOM 0 H LEU A 45 -5.298 7.022 5.290 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.096 6.832 5.286 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.102 4.982 3.891 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.769 5.238 3.415 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.626 7.417 3.512 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -5.796 7.322 1.031 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.273 5.756 1.695 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -6.957 5.980 1.164 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.323 8.804 2.353 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.498 7.473 2.478 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.907 8.279 3.950 1.00 0.50 H new ATOM 700 N SER A 46 -6.716 4.480 6.987 1.00 0.20 N ATOM 701 CA SER A 46 -7.000 3.275 7.816 1.00 0.25 C ATOM 702 C SER A 46 -8.287 3.484 8.620 1.00 0.17 C ATOM 703 O SER A 46 -9.056 2.566 8.822 1.00 0.15 O ATOM 704 CB SER A 46 -5.837 3.035 8.780 1.00 0.36 C ATOM 705 OG SER A 46 -4.659 2.761 8.034 1.00 0.51 O ATOM 0 H SER A 46 -5.807 4.913 7.149 1.00 0.20 H new ATOM 0 HA SER A 46 -7.121 2.412 7.161 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.686 3.911 9.412 1.00 0.36 H new ATOM 0 HB3 SER A 46 -6.065 2.200 9.442 1.00 0.36 H new ATOM 0 HG SER A 46 -4.118 3.575 7.967 1.00 0.51 H new ATOM 711 N GLU A 47 -8.522 4.682 9.093 1.00 0.21 N ATOM 712 CA GLU A 47 -9.754 4.943 9.900 1.00 0.21 C ATOM 713 C GLU A 47 -10.879 5.454 8.999 1.00 0.18 C ATOM 714 O GLU A 47 -12.034 5.459 9.380 1.00 0.18 O ATOM 715 CB GLU A 47 -9.444 5.994 10.971 1.00 0.32 C ATOM 716 CG GLU A 47 -8.097 5.673 11.623 1.00 0.39 C ATOM 717 CD GLU A 47 -7.924 6.523 12.884 1.00 1.24 C ATOM 718 OE1 GLU A 47 -7.802 7.730 12.750 1.00 1.98 O ATOM 719 OE2 GLU A 47 -7.916 5.952 13.963 1.00 2.00 O ATOM 0 H GLU A 47 -7.915 5.490 8.956 1.00 0.21 H new ATOM 0 HA GLU A 47 -10.073 4.014 10.372 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.417 6.988 10.524 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -10.232 6.005 11.724 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -8.047 4.614 11.876 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.286 5.872 10.923 1.00 0.39 H new ATOM 726 N LYS A 48 -10.564 5.886 7.808 1.00 0.18 N ATOM 727 CA LYS A 48 -11.628 6.396 6.893 1.00 0.17 C ATOM 728 C LYS A 48 -12.160 5.237 6.047 1.00 0.15 C ATOM 729 O LYS A 48 -13.256 5.290 5.524 1.00 0.18 O ATOM 730 CB LYS A 48 -11.035 7.479 5.982 1.00 0.21 C ATOM 731 CG LYS A 48 -12.161 8.294 5.334 1.00 0.26 C ATOM 732 CD LYS A 48 -11.565 9.523 4.640 1.00 1.09 C ATOM 733 CE LYS A 48 -12.670 10.288 3.908 1.00 1.51 C ATOM 734 NZ LYS A 48 -13.048 9.551 2.669 1.00 2.16 N ATOM 0 H LYS A 48 -9.618 5.908 7.428 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.445 6.824 7.474 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.385 8.136 6.560 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.418 7.019 5.210 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.700 7.680 4.612 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.882 8.604 6.090 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -11.086 10.171 5.374 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -10.793 9.216 3.934 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -13.539 10.401 4.556 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -12.327 11.292 3.657 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -13.643 10.159 2.071 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -12.189 9.287 2.146 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -13.576 8.692 2.924 1.00 2.16 H new ATOM 748 N TYR A 49 -11.390 4.185 5.917 1.00 0.13 N ATOM 749 CA TYR A 49 -11.837 3.003 5.115 1.00 0.13 C ATOM 750 C TYR A 49 -11.501 1.722 5.880 1.00 0.11 C ATOM 751 O TYR A 49 -10.588 0.999 5.534 1.00 0.11 O ATOM 752 CB TYR A 49 -11.116 2.999 3.762 1.00 0.15 C ATOM 753 CG TYR A 49 -11.787 3.978 2.830 1.00 0.16 C ATOM 754 CD1 TYR A 49 -13.027 3.647 2.255 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.182 5.216 2.541 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.664 4.550 1.388 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.820 6.123 1.673 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.062 5.790 1.096 1.00 0.21 C ATOM 759 OH TYR A 49 -13.688 6.678 0.245 1.00 0.24 O ATOM 0 H TYR A 49 -10.464 4.093 6.335 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.913 3.058 4.948 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.068 3.268 3.896 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.136 1.998 3.331 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.490 2.698 2.480 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.230 5.470 2.984 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.615 4.294 0.945 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.358 7.073 1.450 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.139 7.484 0.152 1.00 0.24 H new ATOM 769 N SER A 50 -12.238 1.432 6.913 1.00 0.12 N ATOM 770 CA SER A 50 -11.968 0.197 7.697 1.00 0.13 C ATOM 771 C SER A 50 -12.298 -1.028 6.839 1.00 0.13 C ATOM 772 O SER A 50 -12.076 -2.154 7.235 1.00 0.14 O ATOM 773 CB SER A 50 -12.843 0.193 8.951 1.00 0.16 C ATOM 774 OG SER A 50 -14.209 0.094 8.571 1.00 0.17 O ATOM 0 H SER A 50 -13.017 1.998 7.249 1.00 0.12 H new ATOM 0 HA SER A 50 -10.918 0.167 7.987 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.571 -0.643 9.595 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.679 1.104 9.526 1.00 0.16 H new ATOM 0 HG SER A 50 -14.772 0.089 9.373 1.00 0.17 H new ATOM 780 N ASN A 51 -12.839 -0.812 5.666 1.00 0.13 N ATOM 781 CA ASN A 51 -13.202 -1.954 4.774 1.00 0.15 C ATOM 782 C ASN A 51 -12.091 -2.193 3.749 1.00 0.13 C ATOM 783 O ASN A 51 -12.154 -3.120 2.966 1.00 0.14 O ATOM 784 CB ASN A 51 -14.496 -1.619 4.037 1.00 0.17 C ATOM 785 CG ASN A 51 -14.923 -2.813 3.182 1.00 0.20 C ATOM 786 OD1 ASN A 51 -14.672 -2.845 1.994 1.00 0.34 O ATOM 787 ND2 ASN A 51 -15.561 -3.806 3.740 1.00 0.32 N ATOM 0 H ASN A 51 -13.046 0.112 5.287 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.334 -2.852 5.377 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.280 -1.372 4.752 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.351 -0.741 3.407 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -15.848 -4.608 3.178 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -15.772 -3.780 4.738 1.00 0.32 H new ATOM 794 N VAL A 52 -11.076 -1.365 3.747 1.00 0.11 N ATOM 795 CA VAL A 52 -9.950 -1.534 2.773 1.00 0.10 C ATOM 796 C VAL A 52 -8.698 -1.974 3.527 1.00 0.10 C ATOM 797 O VAL A 52 -8.525 -1.670 4.692 1.00 0.11 O ATOM 798 CB VAL A 52 -9.677 -0.200 2.077 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.468 -0.339 1.146 1.00 0.12 C ATOM 800 CG2 VAL A 52 -10.910 0.206 1.267 1.00 0.12 C ATOM 0 H VAL A 52 -10.977 -0.573 4.382 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.217 -2.286 2.030 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.463 0.564 2.824 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.277 0.614 0.652 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.592 -0.628 1.727 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.673 -1.102 0.395 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.721 1.157 0.768 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.123 -0.559 0.520 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.766 0.310 1.934 1.00 0.12 H new ATOM 810 N ILE A 53 -7.827 -2.698 2.874 1.00 0.09 N ATOM 811 CA ILE A 53 -6.580 -3.181 3.541 1.00 0.09 C ATOM 812 C ILE A 53 -5.387 -2.356 3.048 1.00 0.09 C ATOM 813 O ILE A 53 -5.099 -2.300 1.868 1.00 0.14 O ATOM 814 CB ILE A 53 -6.369 -4.667 3.187 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.721 -5.416 3.151 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.439 -5.333 4.206 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.480 -5.338 4.504 1.00 0.17 C ATOM 0 H ILE A 53 -7.927 -2.978 1.898 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.668 -3.071 4.622 1.00 0.09 H new ATOM 0 HB ILE A 53 -5.911 -4.717 2.199 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.345 -4.995 2.363 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.547 -6.461 2.895 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.301 -6.381 3.942 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.473 -4.827 4.202 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.880 -5.265 5.200 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.422 -5.880 4.424 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -7.870 -5.784 5.290 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.681 -4.295 4.749 1.00 0.17 H new ATOM 829 N PHE A 54 -4.693 -1.720 3.957 1.00 0.08 N ATOM 830 CA PHE A 54 -3.505 -0.889 3.585 1.00 0.08 C ATOM 831 C PHE A 54 -2.243 -1.605 4.056 1.00 0.08 C ATOM 832 O PHE A 54 -2.151 -2.041 5.187 1.00 0.11 O ATOM 833 CB PHE A 54 -3.602 0.470 4.277 1.00 0.08 C ATOM 834 CG PHE A 54 -4.838 1.188 3.789 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.896 1.648 2.463 1.00 0.09 C ATOM 836 CD2 PHE A 54 -5.932 1.391 4.654 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.045 2.313 1.996 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.082 2.057 4.187 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.138 2.518 2.858 1.00 0.09 C ATOM 0 H PHE A 54 -4.901 -1.741 4.955 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.473 -0.744 2.505 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.646 0.339 5.358 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.713 1.064 4.064 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.057 1.491 1.801 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.889 1.037 5.673 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.088 2.666 0.976 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.921 2.214 4.849 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.020 3.029 2.500 1.00 0.09 H new ATOM 849 N LEU A 55 -1.274 -1.749 3.188 1.00 0.08 N ATOM 850 CA LEU A 55 -0.007 -2.457 3.556 1.00 0.09 C ATOM 851 C LEU A 55 1.145 -1.449 3.558 1.00 0.09 C ATOM 852 O LEU A 55 0.985 -0.307 3.182 1.00 0.10 O ATOM 853 CB LEU A 55 0.282 -3.546 2.508 1.00 0.10 C ATOM 854 CG LEU A 55 -0.553 -4.810 2.779 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.045 -4.457 2.903 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.340 -5.797 1.619 1.00 0.12 C ATOM 0 H LEU A 55 -1.306 -1.403 2.229 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.107 -2.909 4.543 1.00 0.09 H new ATOM 0 HB2 LEU A 55 0.058 -3.165 1.512 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.343 -3.797 2.522 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.234 -5.262 3.718 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.619 -5.364 3.094 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.186 -3.758 3.727 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.389 -3.999 1.976 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -0.926 -6.699 1.796 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.659 -5.335 0.685 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.716 -6.058 1.552 1.00 0.12 H new ATOM 868 N GLU A 56 2.310 -1.875 3.966 1.00 0.09 N ATOM 869 CA GLU A 56 3.494 -0.965 3.989 1.00 0.09 C ATOM 870 C GLU A 56 4.716 -1.768 3.548 1.00 0.09 C ATOM 871 O GLU A 56 4.867 -2.921 3.904 1.00 0.10 O ATOM 872 CB GLU A 56 3.699 -0.429 5.411 1.00 0.09 C ATOM 873 CG GLU A 56 4.743 0.699 5.405 1.00 0.11 C ATOM 874 CD GLU A 56 4.636 1.509 6.701 1.00 0.53 C ATOM 875 OE1 GLU A 56 5.044 1.001 7.731 1.00 1.24 O ATOM 876 OE2 GLU A 56 4.148 2.627 6.638 1.00 1.31 O ATOM 0 H GLU A 56 2.495 -2.825 4.288 1.00 0.09 H new ATOM 0 HA GLU A 56 3.342 -0.119 3.318 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.754 -0.058 5.808 1.00 0.09 H new ATOM 0 HB3 GLU A 56 4.027 -1.235 6.068 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.745 0.280 5.308 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.585 1.349 4.544 1.00 0.11 H new ATOM 883 N VAL A 57 5.577 -1.185 2.749 1.00 0.08 N ATOM 884 CA VAL A 57 6.777 -1.933 2.257 1.00 0.08 C ATOM 885 C VAL A 57 8.022 -1.043 2.315 1.00 0.09 C ATOM 886 O VAL A 57 8.005 0.103 1.902 1.00 0.14 O ATOM 887 CB VAL A 57 6.545 -2.352 0.800 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.742 -3.166 0.310 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.280 -3.205 0.686 1.00 0.09 C ATOM 0 H VAL A 57 5.501 -0.224 2.416 1.00 0.08 H new ATOM 0 HA VAL A 57 6.929 -2.808 2.889 1.00 0.08 H new ATOM 0 HB VAL A 57 6.427 -1.456 0.191 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.579 -3.465 -0.725 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.645 -2.560 0.375 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.856 -4.055 0.931 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.129 -3.495 -0.354 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.388 -4.099 1.300 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.421 -2.630 1.031 1.00 0.09 H new ATOM 899 N ASP A 58 9.110 -1.581 2.808 1.00 0.09 N ATOM 900 CA ASP A 58 10.386 -0.805 2.883 1.00 0.09 C ATOM 901 C ASP A 58 11.253 -1.194 1.678 1.00 0.10 C ATOM 902 O ASP A 58 11.858 -2.246 1.648 1.00 0.11 O ATOM 903 CB ASP A 58 11.113 -1.160 4.186 1.00 0.11 C ATOM 904 CG ASP A 58 12.147 -0.079 4.517 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.740 1.002 4.910 1.00 1.06 O ATOM 906 OD2 ASP A 58 13.328 -0.352 4.376 1.00 1.08 O ATOM 0 H ASP A 58 9.169 -2.535 3.165 1.00 0.09 H new ATOM 0 HA ASP A 58 10.188 0.267 2.868 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.394 -1.250 5.001 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.605 -2.128 4.086 1.00 0.11 H new ATOM 911 N VAL A 59 11.292 -0.363 0.674 1.00 0.12 N ATOM 912 CA VAL A 59 12.087 -0.691 -0.546 1.00 0.15 C ATOM 913 C VAL A 59 13.564 -0.905 -0.203 1.00 0.18 C ATOM 914 O VAL A 59 14.359 -1.218 -1.067 1.00 0.27 O ATOM 915 CB VAL A 59 11.968 0.460 -1.547 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.506 0.605 -1.989 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.442 1.761 -0.889 1.00 0.22 C ATOM 0 H VAL A 59 10.806 0.533 0.644 1.00 0.12 H new ATOM 0 HA VAL A 59 11.695 -1.613 -0.975 1.00 0.15 H new ATOM 0 HB VAL A 59 12.588 0.251 -2.419 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.421 1.425 -2.702 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.175 -0.321 -2.459 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.882 0.814 -1.120 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.357 2.581 -1.602 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.824 1.973 -0.016 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.482 1.655 -0.580 1.00 0.22 H new ATOM 927 N ASP A 60 13.946 -0.727 1.037 1.00 0.16 N ATOM 928 CA ASP A 60 15.386 -0.904 1.421 1.00 0.18 C ATOM 929 C ASP A 60 15.565 -2.130 2.321 1.00 0.17 C ATOM 930 O ASP A 60 16.512 -2.877 2.174 1.00 0.18 O ATOM 931 CB ASP A 60 15.853 0.338 2.169 1.00 0.21 C ATOM 932 CG ASP A 60 15.812 1.541 1.225 1.00 0.24 C ATOM 933 OD1 ASP A 60 16.779 1.740 0.509 1.00 1.08 O ATOM 934 OD2 ASP A 60 14.811 2.237 1.232 1.00 1.11 O ATOM 0 H ASP A 60 13.324 -0.467 1.803 1.00 0.16 H new ATOM 0 HA ASP A 60 15.976 -1.050 0.516 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.214 0.518 3.034 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.865 0.191 2.546 1.00 0.21 H new ATOM 939 N ASP A 61 14.676 -2.344 3.256 1.00 0.17 N ATOM 940 CA ASP A 61 14.814 -3.523 4.168 1.00 0.17 C ATOM 941 C ASP A 61 14.008 -4.695 3.594 1.00 0.16 C ATOM 942 O ASP A 61 14.217 -5.836 3.955 1.00 0.18 O ATOM 943 CB ASP A 61 14.302 -3.140 5.569 1.00 0.19 C ATOM 944 CG ASP A 61 13.962 -4.397 6.380 1.00 0.22 C ATOM 945 OD1 ASP A 61 14.864 -4.943 6.994 1.00 1.07 O ATOM 946 OD2 ASP A 61 12.808 -4.791 6.367 1.00 1.12 O ATOM 0 H ASP A 61 13.861 -1.755 3.429 1.00 0.17 H new ATOM 0 HA ASP A 61 15.859 -3.822 4.249 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.059 -2.556 6.092 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.418 -2.508 5.479 1.00 0.19 H new ATOM 951 N ALA A 62 13.105 -4.418 2.688 1.00 0.16 N ATOM 952 CA ALA A 62 12.286 -5.500 2.054 1.00 0.16 C ATOM 953 C ALA A 62 12.534 -5.462 0.545 1.00 0.16 C ATOM 954 O ALA A 62 11.619 -5.513 -0.253 1.00 0.15 O ATOM 955 CB ALA A 62 10.802 -5.257 2.342 1.00 0.17 C ATOM 0 H ALA A 62 12.897 -3.477 2.355 1.00 0.16 H new ATOM 0 HA ALA A 62 12.566 -6.473 2.457 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.208 -6.045 1.880 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.635 -5.261 3.419 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.505 -4.292 1.932 1.00 0.17 H new ATOM 961 N GLN A 63 13.776 -5.357 0.156 1.00 0.20 N ATOM 962 CA GLN A 63 14.113 -5.294 -1.294 1.00 0.22 C ATOM 963 C GLN A 63 13.529 -6.501 -2.028 1.00 0.20 C ATOM 964 O GLN A 63 13.428 -6.506 -3.236 1.00 0.20 O ATOM 965 CB GLN A 63 15.636 -5.288 -1.459 1.00 0.29 C ATOM 966 CG GLN A 63 16.246 -6.399 -0.601 1.00 0.90 C ATOM 967 CD GLN A 63 17.740 -6.531 -0.912 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.454 -7.236 -0.226 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.248 -5.877 -1.921 1.00 2.22 N ATOM 0 H GLN A 63 14.577 -5.312 0.786 1.00 0.20 H new ATOM 0 HA GLN A 63 13.689 -4.384 -1.718 1.00 0.22 H new ATOM 0 HB2 GLN A 63 15.900 -5.436 -2.506 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.041 -4.321 -1.162 1.00 0.29 H new ATOM 0 HG2 GLN A 63 16.103 -6.175 0.456 1.00 0.90 H new ATOM 0 HG3 GLN A 63 15.739 -7.344 -0.798 1.00 0.90 H new ATOM 0 HE21 GLN A 63 17.650 -5.285 -2.498 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.243 -5.958 -2.133 1.00 2.22 H new ATOM 978 N ASP A 64 13.148 -7.527 -1.323 1.00 0.19 N ATOM 979 CA ASP A 64 12.582 -8.718 -2.013 1.00 0.20 C ATOM 980 C ASP A 64 11.219 -8.364 -2.610 1.00 0.17 C ATOM 981 O ASP A 64 10.881 -8.788 -3.697 1.00 0.19 O ATOM 982 CB ASP A 64 12.434 -9.873 -1.011 1.00 0.22 C ATOM 983 CG ASP A 64 11.940 -9.339 0.337 1.00 0.23 C ATOM 984 OD1 ASP A 64 11.641 -8.160 0.418 1.00 1.09 O ATOM 985 OD2 ASP A 64 11.868 -10.124 1.269 1.00 1.11 O ATOM 0 H ASP A 64 13.203 -7.593 -0.307 1.00 0.19 H new ATOM 0 HA ASP A 64 13.253 -9.027 -2.815 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.733 -10.613 -1.397 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.391 -10.378 -0.882 1.00 0.22 H new ATOM 990 N VAL A 65 10.438 -7.584 -1.921 1.00 0.15 N ATOM 991 CA VAL A 65 9.109 -7.203 -2.468 1.00 0.16 C ATOM 992 C VAL A 65 9.309 -6.169 -3.580 1.00 0.16 C ATOM 993 O VAL A 65 8.779 -6.295 -4.666 1.00 0.19 O ATOM 994 CB VAL A 65 8.256 -6.605 -1.346 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.784 -6.587 -1.767 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.412 -7.453 -0.082 1.00 0.18 C ATOM 0 H VAL A 65 10.661 -7.194 -1.005 1.00 0.15 H new ATOM 0 HA VAL A 65 8.603 -8.079 -2.874 1.00 0.16 H new ATOM 0 HB VAL A 65 8.586 -5.585 -1.147 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.181 -6.161 -0.965 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.670 -5.983 -2.667 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.451 -7.605 -1.969 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.805 -7.029 0.718 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.083 -8.472 -0.285 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.459 -7.463 0.223 1.00 0.18 H new ATOM 1006 N ALA A 66 10.084 -5.151 -3.315 1.00 0.16 N ATOM 1007 CA ALA A 66 10.339 -4.105 -4.347 1.00 0.18 C ATOM 1008 C ALA A 66 11.082 -4.722 -5.533 1.00 0.19 C ATOM 1009 O ALA A 66 10.850 -4.370 -6.673 1.00 0.20 O ATOM 1010 CB ALA A 66 11.198 -2.998 -3.735 1.00 0.22 C ATOM 0 H ALA A 66 10.554 -4.999 -2.423 1.00 0.16 H new ATOM 0 HA ALA A 66 9.390 -3.693 -4.690 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.389 -2.229 -4.484 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.673 -2.557 -2.888 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.145 -3.418 -3.397 1.00 0.22 H new ATOM 1016 N SER A 67 11.978 -5.636 -5.276 1.00 0.21 N ATOM 1017 CA SER A 67 12.735 -6.266 -6.394 1.00 0.26 C ATOM 1018 C SER A 67 11.760 -7.024 -7.297 1.00 0.26 C ATOM 1019 O SER A 67 11.770 -6.872 -8.503 1.00 0.29 O ATOM 1020 CB SER A 67 13.776 -7.239 -5.833 1.00 0.31 C ATOM 1021 OG SER A 67 14.785 -6.511 -5.140 1.00 1.29 O ATOM 0 H SER A 67 12.218 -5.972 -4.343 1.00 0.21 H new ATOM 0 HA SER A 67 13.244 -5.492 -6.969 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.298 -7.950 -5.159 1.00 0.31 H new ATOM 0 HB3 SER A 67 14.222 -7.817 -6.642 1.00 0.31 H new ATOM 0 HG SER A 67 14.412 -6.142 -4.312 1.00 1.29 H new ATOM 1027 N GLU A 68 10.918 -7.838 -6.722 1.00 0.26 N ATOM 1028 CA GLU A 68 9.940 -8.605 -7.544 1.00 0.30 C ATOM 1029 C GLU A 68 8.966 -7.636 -8.225 1.00 0.31 C ATOM 1030 O GLU A 68 8.477 -7.892 -9.308 1.00 0.36 O ATOM 1031 CB GLU A 68 9.161 -9.566 -6.636 1.00 0.31 C ATOM 1032 CG GLU A 68 8.476 -10.640 -7.485 1.00 0.39 C ATOM 1033 CD GLU A 68 9.524 -11.623 -8.010 1.00 1.43 C ATOM 1034 OE1 GLU A 68 9.837 -12.562 -7.296 1.00 2.20 O ATOM 1035 OE2 GLU A 68 9.996 -11.421 -9.117 1.00 2.19 O ATOM 0 H GLU A 68 10.865 -8.005 -5.717 1.00 0.26 H new ATOM 0 HA GLU A 68 10.471 -9.173 -8.308 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.837 -10.032 -5.919 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.417 -9.015 -6.061 1.00 0.31 H new ATOM 0 HG2 GLU A 68 7.732 -11.169 -6.890 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.947 -10.177 -8.318 1.00 0.39 H new ATOM 1042 N ALA A 69 8.675 -6.528 -7.595 1.00 0.29 N ATOM 1043 CA ALA A 69 7.726 -5.543 -8.200 1.00 0.31 C ATOM 1044 C ALA A 69 8.490 -4.572 -9.105 1.00 0.29 C ATOM 1045 O ALA A 69 7.911 -3.704 -9.728 1.00 0.33 O ATOM 1046 CB ALA A 69 7.029 -4.764 -7.082 1.00 0.31 C ATOM 0 H ALA A 69 9.053 -6.261 -6.686 1.00 0.29 H new ATOM 0 HA ALA A 69 6.983 -6.074 -8.796 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.336 -4.044 -7.518 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.480 -5.456 -6.444 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.774 -4.236 -6.487 1.00 0.31 H new ATOM 1052 N GLU A 70 9.784 -4.714 -9.190 1.00 0.27 N ATOM 1053 CA GLU A 70 10.585 -3.805 -10.062 1.00 0.29 C ATOM 1054 C GLU A 70 10.210 -2.342 -9.789 1.00 0.25 C ATOM 1055 O GLU A 70 9.888 -1.597 -10.693 1.00 0.26 O ATOM 1056 CB GLU A 70 10.307 -4.139 -11.534 1.00 0.38 C ATOM 1057 CG GLU A 70 11.063 -5.412 -11.930 1.00 1.18 C ATOM 1058 CD GLU A 70 12.552 -5.097 -12.091 1.00 1.61 C ATOM 1059 OE1 GLU A 70 12.863 -4.134 -12.772 1.00 2.06 O ATOM 1060 OE2 GLU A 70 13.356 -5.826 -11.532 1.00 2.34 O ATOM 0 H GLU A 70 10.324 -5.422 -8.692 1.00 0.27 H new ATOM 0 HA GLU A 70 11.644 -3.944 -9.845 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.237 -4.278 -11.689 1.00 0.38 H new ATOM 0 HB3 GLU A 70 10.616 -3.309 -12.169 1.00 0.38 H new ATOM 0 HG2 GLU A 70 10.924 -6.181 -11.170 1.00 1.18 H new ATOM 0 HG3 GLU A 70 10.662 -5.810 -12.862 1.00 1.18 H new ATOM 1067 N VAL A 71 10.263 -1.921 -8.553 1.00 0.22 N ATOM 1068 CA VAL A 71 9.926 -0.502 -8.233 1.00 0.19 C ATOM 1069 C VAL A 71 11.125 0.384 -8.581 1.00 0.23 C ATOM 1070 O VAL A 71 12.251 0.068 -8.248 1.00 0.28 O ATOM 1071 CB VAL A 71 9.609 -0.368 -6.745 1.00 0.18 C ATOM 1072 CG1 VAL A 71 9.056 1.031 -6.476 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.559 -1.408 -6.349 1.00 0.19 C ATOM 0 H VAL A 71 10.524 -2.497 -7.753 1.00 0.22 H new ATOM 0 HA VAL A 71 9.055 -0.194 -8.812 1.00 0.19 H new ATOM 0 HB VAL A 71 10.516 -0.528 -6.163 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.827 1.134 -5.415 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.798 1.777 -6.761 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.148 1.182 -7.059 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.334 -1.311 -5.287 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.650 -1.247 -6.929 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.944 -2.408 -6.549 1.00 0.19 H new ATOM 1083 N LYS A 72 10.896 1.485 -9.259 1.00 0.24 N ATOM 1084 CA LYS A 72 12.022 2.397 -9.647 1.00 0.29 C ATOM 1085 C LYS A 72 11.722 3.829 -9.187 1.00 0.26 C ATOM 1086 O LYS A 72 12.511 4.730 -9.390 1.00 0.27 O ATOM 1087 CB LYS A 72 12.181 2.375 -11.171 1.00 0.35 C ATOM 1088 CG LYS A 72 12.458 0.942 -11.635 1.00 0.43 C ATOM 1089 CD LYS A 72 12.584 0.908 -13.159 1.00 1.16 C ATOM 1090 CE LYS A 72 12.776 -0.538 -13.628 1.00 1.66 C ATOM 1091 NZ LYS A 72 13.244 -0.544 -15.044 1.00 2.40 N ATOM 0 H LYS A 72 9.972 1.793 -9.562 1.00 0.24 H new ATOM 0 HA LYS A 72 12.942 2.057 -9.171 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.277 2.754 -11.647 1.00 0.35 H new ATOM 0 HB3 LYS A 72 12.999 3.030 -11.472 1.00 0.35 H new ATOM 0 HG2 LYS A 72 13.375 0.572 -11.176 1.00 0.43 H new ATOM 0 HG3 LYS A 72 11.652 0.283 -11.312 1.00 0.43 H new ATOM 0 HD2 LYS A 72 11.691 1.334 -13.617 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.428 1.519 -13.478 1.00 1.16 H new ATOM 0 HE2 LYS A 72 13.502 -1.044 -12.992 1.00 1.66 H new ATOM 0 HE3 LYS A 72 11.838 -1.087 -13.541 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 13.374 -1.525 -15.362 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 12.536 -0.076 -15.645 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 14.148 -0.035 -15.113 1.00 2.40 H new ATOM 1105 N ALA A 73 10.592 4.049 -8.567 1.00 0.22 N ATOM 1106 CA ALA A 73 10.252 5.429 -8.092 1.00 0.20 C ATOM 1107 C ALA A 73 9.314 5.329 -6.887 1.00 0.18 C ATOM 1108 O ALA A 73 8.344 4.608 -6.918 1.00 0.16 O ATOM 1109 CB ALA A 73 9.559 6.207 -9.223 1.00 0.21 C ATOM 0 H ALA A 73 9.890 3.337 -8.368 1.00 0.22 H new ATOM 0 HA ALA A 73 11.164 5.952 -7.803 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.312 7.210 -8.876 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.228 6.274 -10.081 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.645 5.689 -9.514 1.00 0.21 H new ATOM 1115 N THR A 74 9.597 6.052 -5.827 1.00 0.18 N ATOM 1116 CA THR A 74 8.717 6.006 -4.610 1.00 0.17 C ATOM 1117 C THR A 74 8.089 7.400 -4.403 1.00 0.17 C ATOM 1118 O THR A 74 8.696 8.388 -4.761 1.00 0.19 O ATOM 1119 CB THR A 74 9.572 5.652 -3.369 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.812 6.330 -3.450 1.00 0.22 O ATOM 1121 CG2 THR A 74 9.856 4.138 -3.275 1.00 0.19 C ATOM 0 H THR A 74 10.402 6.674 -5.751 1.00 0.18 H new ATOM 0 HA THR A 74 7.939 5.255 -4.744 1.00 0.17 H new ATOM 0 HB THR A 74 9.010 5.955 -2.486 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.357 6.110 -2.666 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.459 3.935 -2.390 1.00 0.19 H new ATOM 0 HG22 THR A 74 8.914 3.595 -3.205 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.397 3.813 -4.164 1.00 0.19 H new ATOM 1129 N PRO A 75 6.909 7.463 -3.809 1.00 0.17 N ATOM 1130 CA PRO A 75 6.130 6.286 -3.356 1.00 0.16 C ATOM 1131 C PRO A 75 5.452 5.604 -4.552 1.00 0.14 C ATOM 1132 O PRO A 75 5.006 6.255 -5.476 1.00 0.14 O ATOM 1133 CB PRO A 75 5.063 6.877 -2.406 1.00 0.17 C ATOM 1134 CG PRO A 75 5.078 8.420 -2.599 1.00 0.20 C ATOM 1135 CD PRO A 75 6.271 8.761 -3.519 1.00 0.19 C ATOM 0 HA PRO A 75 6.753 5.534 -2.872 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.078 6.471 -2.634 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.283 6.617 -1.371 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.142 8.760 -3.043 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.178 8.926 -1.639 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.937 9.250 -4.434 1.00 0.19 H new ATOM 0 HD3 PRO A 75 6.966 9.442 -3.028 1.00 0.19 H new ATOM 1143 N THR A 76 5.353 4.296 -4.523 1.00 0.13 N ATOM 1144 CA THR A 76 4.678 3.557 -5.639 1.00 0.12 C ATOM 1145 C THR A 76 3.427 2.903 -5.075 1.00 0.12 C ATOM 1146 O THR A 76 3.505 1.997 -4.273 1.00 0.18 O ATOM 1147 CB THR A 76 5.603 2.459 -6.197 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.934 2.937 -6.226 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.166 2.085 -7.617 1.00 0.13 C ATOM 0 H THR A 76 5.712 3.706 -3.772 1.00 0.13 H new ATOM 0 HA THR A 76 4.435 4.251 -6.443 1.00 0.12 H new ATOM 0 HB THR A 76 5.543 1.578 -5.558 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.987 3.721 -6.812 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.823 1.308 -8.007 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.140 1.716 -7.597 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.223 2.964 -8.259 1.00 0.13 H new ATOM 1157 N PHE A 77 2.272 3.341 -5.482 1.00 0.09 N ATOM 1158 CA PHE A 77 1.029 2.716 -4.955 1.00 0.09 C ATOM 1159 C PHE A 77 0.646 1.560 -5.862 1.00 0.09 C ATOM 1160 O PHE A 77 0.429 1.725 -7.047 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.101 3.739 -4.912 1.00 0.10 C ATOM 1162 CG PHE A 77 0.194 4.735 -3.823 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.067 4.398 -2.482 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.738 5.994 -4.144 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.216 5.321 -1.459 1.00 0.09 C ATOM 1166 CE2 PHE A 77 1.020 6.918 -3.120 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.760 6.584 -1.779 1.00 0.12 C ATOM 0 H PHE A 77 2.134 4.098 -6.151 1.00 0.09 H new ATOM 0 HA PHE A 77 1.202 2.354 -3.942 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.190 4.245 -5.873 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.053 3.243 -4.723 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.484 3.432 -2.239 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.938 6.250 -5.174 1.00 0.14 H new ATOM 0 HE1 PHE A 77 0.017 5.064 -0.429 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.436 7.884 -3.365 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.976 7.293 -0.994 1.00 0.12 H new ATOM 1177 N GLN A 78 0.570 0.387 -5.303 1.00 0.07 N ATOM 1178 CA GLN A 78 0.212 -0.821 -6.092 1.00 0.07 C ATOM 1179 C GLN A 78 -1.087 -1.380 -5.528 1.00 0.06 C ATOM 1180 O GLN A 78 -1.262 -1.478 -4.329 1.00 0.07 O ATOM 1181 CB GLN A 78 1.338 -1.850 -5.952 1.00 0.08 C ATOM 1182 CG GLN A 78 2.690 -1.158 -6.153 1.00 0.12 C ATOM 1183 CD GLN A 78 3.767 -2.205 -6.453 1.00 0.14 C ATOM 1184 OE1 GLN A 78 4.706 -1.937 -7.176 1.00 0.81 O ATOM 1185 NE2 GLN A 78 3.669 -3.394 -5.924 1.00 1.03 N ATOM 0 H GLN A 78 0.744 0.212 -4.313 1.00 0.07 H new ATOM 0 HA GLN A 78 0.082 -0.580 -7.147 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.299 -2.316 -4.967 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.212 -2.645 -6.687 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.625 -0.444 -6.974 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.957 -0.594 -5.259 1.00 0.12 H new ATOM 0 HE21 GLN A 78 2.881 -3.619 -5.317 1.00 1.03 H new ATOM 0 HE22 GLN A 78 4.381 -4.099 -6.117 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.012 -1.718 -6.383 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.330 -2.244 -5.914 1.00 0.07 C ATOM 1196 C PHE A 79 -3.437 -3.726 -6.241 1.00 0.07 C ATOM 1197 O PHE A 79 -3.257 -4.144 -7.368 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.450 -1.478 -6.624 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.403 -0.031 -6.191 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.355 0.788 -6.631 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.392 0.490 -5.341 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.287 2.134 -6.226 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.328 1.834 -4.927 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.276 2.656 -5.370 1.00 0.11 C ATOM 0 H PHE A 79 -1.913 -1.653 -7.396 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.417 -2.111 -4.836 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.331 -1.552 -7.705 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.419 -1.914 -6.379 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.596 0.384 -7.284 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.202 -0.141 -5.005 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.480 2.764 -6.570 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.086 2.234 -4.270 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.227 3.687 -5.054 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.740 -4.520 -5.249 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.880 -5.989 -5.454 1.00 0.08 C ATOM 1216 C PHE A 80 -5.270 -6.404 -4.982 1.00 0.11 C ATOM 1217 O PHE A 80 -5.894 -5.730 -4.184 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.818 -6.723 -4.630 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.456 -6.523 -5.260 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.069 -7.306 -6.364 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.571 -5.556 -4.739 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.201 -7.124 -6.947 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.697 -5.375 -5.323 1.00 0.11 C ATOM 1224 CZ PHE A 80 1.083 -6.159 -6.424 1.00 0.14 C ATOM 0 H PHE A 80 -3.899 -4.207 -4.291 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.748 -6.240 -6.506 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.815 -6.348 -3.606 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.054 -7.786 -4.579 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.746 -8.046 -6.764 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.866 -4.954 -3.892 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.498 -7.724 -7.794 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.374 -4.633 -4.925 1.00 0.11 H new ATOM 0 HZ PHE A 80 2.057 -6.021 -6.869 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.765 -7.497 -5.477 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.120 -7.956 -5.071 1.00 0.14 C ATOM 1236 C LYS A 81 -7.180 -9.467 -5.268 1.00 0.14 C ATOM 1237 O LYS A 81 -6.951 -9.964 -6.351 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.165 -7.254 -5.954 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.539 -7.265 -5.273 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.507 -6.389 -6.076 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.792 -6.178 -5.278 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.717 -5.302 -6.051 1.00 1.48 N ATOM 0 H LYS A 81 -5.288 -8.098 -6.150 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.325 -7.715 -4.028 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.856 -6.226 -6.146 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.228 -7.754 -6.921 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.919 -8.285 -5.211 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.455 -6.893 -4.252 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.044 -5.428 -6.299 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.734 -6.862 -7.031 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -12.268 -7.137 -5.074 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -11.564 -5.724 -4.314 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.679 -5.386 -5.665 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.400 -4.314 -5.980 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.718 -5.594 -7.049 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.463 -10.197 -4.226 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.521 -11.681 -4.339 1.00 0.20 C ATOM 1258 C LYS A 82 -6.186 -12.218 -4.865 1.00 0.20 C ATOM 1259 O LYS A 82 -6.115 -13.300 -5.410 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.650 -12.090 -5.295 1.00 0.21 C ATOM 1261 CG LYS A 82 -10.009 -11.877 -4.620 1.00 0.24 C ATOM 1262 CD LYS A 82 -11.106 -12.566 -5.436 1.00 0.36 C ATOM 1263 CE LYS A 82 -11.086 -12.060 -6.882 1.00 1.19 C ATOM 1264 NZ LYS A 82 -12.414 -12.313 -7.511 1.00 1.67 N ATOM 0 H LYS A 82 -7.658 -9.827 -3.295 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.715 -12.102 -3.352 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.593 -11.502 -6.211 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.536 -13.136 -5.580 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.989 -12.279 -3.607 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.221 -10.811 -4.536 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.958 -13.646 -5.419 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -12.080 -12.370 -4.988 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -10.858 -10.994 -6.903 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -10.302 -12.565 -7.445 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -12.404 -11.971 -8.493 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -12.613 -13.334 -7.502 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -13.152 -11.811 -6.977 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.124 -11.476 -4.696 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.791 -11.953 -5.174 1.00 0.21 C ATOM 1280 C GLY A 83 -3.559 -11.506 -6.620 1.00 0.19 C ATOM 1281 O GLY A 83 -2.560 -11.844 -7.224 1.00 0.22 O ATOM 0 H GLY A 83 -5.121 -10.560 -4.248 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -3.003 -11.558 -4.532 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.740 -13.040 -5.109 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.475 -10.754 -7.182 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.312 -10.283 -8.600 1.00 0.17 C ATOM 1287 C GLN A 84 -4.088 -8.766 -8.633 1.00 0.16 C ATOM 1288 O GLN A 84 -4.599 -8.035 -7.810 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.582 -10.610 -9.383 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.892 -12.101 -9.250 1.00 0.23 C ATOM 1291 CD GLN A 84 -7.195 -12.418 -9.985 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -7.443 -13.551 -10.346 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -8.044 -11.456 -10.223 1.00 2.08 N ATOM 0 H GLN A 84 -5.331 -10.444 -6.722 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.451 -10.783 -9.044 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.417 -10.019 -9.006 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.453 -10.347 -10.433 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -5.075 -12.692 -9.665 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -5.980 -12.373 -8.198 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -7.835 -10.505 -9.920 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -8.916 -11.655 -10.712 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.336 -8.289 -9.596 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.085 -6.819 -9.703 1.00 0.17 C ATOM 1304 C LYS A 85 -4.225 -6.176 -10.494 1.00 0.16 C ATOM 1305 O LYS A 85 -4.686 -6.721 -11.477 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.756 -6.573 -10.428 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.535 -5.061 -10.603 1.00 0.25 C ATOM 1308 CD LYS A 85 -0.052 -4.771 -10.861 1.00 0.30 C ATOM 1309 CE LYS A 85 0.371 -5.390 -12.196 1.00 0.89 C ATOM 1310 NZ LYS A 85 1.731 -4.899 -12.561 1.00 1.70 N ATOM 0 H LYS A 85 -2.885 -8.857 -10.313 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.034 -6.382 -8.706 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.934 -7.007 -9.859 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.765 -7.064 -11.401 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.136 -4.692 -11.434 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.867 -4.531 -9.710 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.120 -3.695 -10.877 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.554 -5.179 -10.052 1.00 0.30 H new ATOM 0 HE2 LYS A 85 0.373 -6.477 -12.121 1.00 0.89 H new ATOM 0 HE3 LYS A 85 -0.344 -5.126 -12.975 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 2.020 -5.319 -13.468 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 1.714 -3.863 -12.649 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.409 -5.173 -11.821 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.694 -5.026 -10.066 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.822 -4.346 -10.783 1.00 0.16 C ATOM 1326 C VAL A 86 -5.434 -2.909 -11.149 1.00 0.18 C ATOM 1327 O VAL A 86 -6.081 -2.276 -11.960 1.00 0.26 O ATOM 1328 CB VAL A 86 -7.054 -4.327 -9.870 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.674 -5.724 -9.823 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.636 -3.914 -8.458 1.00 0.17 C ATOM 0 H VAL A 86 -4.343 -4.528 -9.248 1.00 0.15 H new ATOM 0 HA VAL A 86 -6.044 -4.892 -11.700 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.782 -3.615 -10.259 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.550 -5.712 -9.174 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.971 -6.024 -10.828 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.944 -6.433 -9.433 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.511 -3.900 -7.809 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.908 -4.627 -8.071 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.190 -2.920 -8.487 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.389 -2.378 -10.569 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.995 -0.978 -10.915 1.00 0.18 C ATOM 1342 C GLY A 87 -2.756 -0.552 -10.122 1.00 0.10 C ATOM 1343 O GLY A 87 -2.318 -1.230 -9.214 1.00 0.08 O ATOM 0 H GLY A 87 -3.798 -2.844 -9.880 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.791 -0.906 -11.983 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.821 -0.299 -10.701 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.190 0.578 -10.466 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.980 1.068 -9.743 1.00 0.10 C ATOM 1349 C GLU A 88 -0.618 2.469 -10.229 1.00 0.10 C ATOM 1350 O GLU A 88 -0.887 2.840 -11.354 1.00 0.11 O ATOM 1351 CB GLU A 88 0.195 0.128 -10.009 1.00 0.17 C ATOM 1352 CG GLU A 88 0.340 -0.098 -11.514 1.00 0.25 C ATOM 1353 CD GLU A 88 1.583 -0.947 -11.784 1.00 1.25 C ATOM 1354 OE1 GLU A 88 2.111 -1.504 -10.837 1.00 1.94 O ATOM 1355 OE2 GLU A 88 1.985 -1.022 -12.932 1.00 2.04 O ATOM 0 H GLU A 88 -2.516 1.183 -11.219 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.194 1.096 -8.674 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.113 0.554 -9.605 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.035 -0.823 -9.502 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.547 -0.597 -11.905 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.421 0.859 -12.030 1.00 0.25 H new ATOM 1362 N PHE A 89 0.010 3.246 -9.389 1.00 0.09 N ATOM 1363 CA PHE A 89 0.411 4.618 -9.804 1.00 0.09 C ATOM 1364 C PHE A 89 1.357 5.223 -8.764 1.00 0.09 C ATOM 1365 O PHE A 89 1.114 5.168 -7.578 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.831 5.510 -9.996 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.422 5.933 -8.664 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.790 6.927 -7.889 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.621 5.345 -8.206 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.352 7.327 -6.662 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.180 5.748 -6.979 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.546 6.738 -6.207 1.00 0.11 C ATOM 0 H PHE A 89 0.262 2.989 -8.435 1.00 0.09 H new ATOM 0 HA PHE A 89 0.934 4.558 -10.758 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.560 6.394 -10.572 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.582 4.971 -10.574 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.126 7.382 -8.237 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.110 4.585 -8.798 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.866 8.087 -6.069 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.097 5.297 -6.630 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.976 7.046 -5.265 1.00 0.11 H new ATOM 1382 N SER A 90 2.445 5.802 -9.211 1.00 0.13 N ATOM 1383 CA SER A 90 3.428 6.425 -8.267 1.00 0.14 C ATOM 1384 C SER A 90 3.258 7.947 -8.304 1.00 0.14 C ATOM 1385 O SER A 90 2.303 8.459 -8.855 1.00 0.17 O ATOM 1386 CB SER A 90 4.847 6.052 -8.701 1.00 0.15 C ATOM 1387 OG SER A 90 5.258 6.906 -9.763 1.00 0.16 O ATOM 0 H SER A 90 2.697 5.871 -10.197 1.00 0.13 H new ATOM 0 HA SER A 90 3.255 6.064 -7.253 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.533 6.145 -7.859 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.878 5.011 -9.024 1.00 0.15 H new ATOM 0 HG SER A 90 6.112 7.328 -9.532 1.00 0.16 H new ATOM 1393 N GLY A 91 4.172 8.675 -7.721 1.00 0.12 N ATOM 1394 CA GLY A 91 4.060 10.167 -7.722 1.00 0.13 C ATOM 1395 C GLY A 91 3.210 10.610 -6.530 1.00 0.13 C ATOM 1396 O GLY A 91 2.097 10.158 -6.347 1.00 0.13 O ATOM 0 H GLY A 91 4.993 8.303 -7.243 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.051 10.618 -7.665 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.608 10.509 -8.653 1.00 0.13 H new ATOM 1400 N ALA A 92 3.728 11.483 -5.709 1.00 0.15 N ATOM 1401 CA ALA A 92 2.945 11.938 -4.522 1.00 0.17 C ATOM 1402 C ALA A 92 1.548 12.403 -4.950 1.00 0.15 C ATOM 1403 O ALA A 92 1.357 13.529 -5.365 1.00 0.16 O ATOM 1404 CB ALA A 92 3.679 13.097 -3.831 1.00 0.20 C ATOM 0 H ALA A 92 4.654 11.899 -5.807 1.00 0.15 H new ATOM 0 HA ALA A 92 2.844 11.103 -3.829 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.105 13.427 -2.965 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.664 12.762 -3.507 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.790 13.926 -4.530 1.00 0.20 H new ATOM 1410 N ASN A 93 0.567 11.547 -4.826 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.832 11.929 -5.195 1.00 0.13 C ATOM 1412 C ASN A 93 -1.783 11.319 -4.158 1.00 0.12 C ATOM 1413 O ASN A 93 -2.500 10.377 -4.429 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.159 11.394 -6.596 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.335 12.176 -7.185 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -2.594 12.105 -8.370 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -3.065 12.923 -6.403 1.00 1.15 N ATOM 0 H ASN A 93 0.674 10.593 -4.483 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.942 13.013 -5.206 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.287 11.487 -7.244 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.405 10.334 -6.543 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.852 13.446 -6.787 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -2.849 12.984 -5.408 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.768 11.841 -2.961 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.638 11.288 -1.884 1.00 0.20 C ATOM 1426 C LYS A 94 -4.117 11.459 -2.239 1.00 0.18 C ATOM 1427 O LYS A 94 -4.941 10.636 -1.896 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.337 12.013 -0.562 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.240 13.543 -0.792 1.00 0.38 C ATOM 1430 CD LYS A 94 -0.767 13.985 -0.907 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.168 14.182 0.490 1.00 0.78 C ATOM 1432 NZ LYS A 94 1.308 14.353 0.375 1.00 1.19 N ATOM 0 H LYS A 94 -1.187 12.631 -2.682 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.429 10.223 -1.779 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.121 11.797 0.164 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.402 11.642 -0.142 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -2.778 13.814 -1.700 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.720 14.071 0.032 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.196 13.235 -1.454 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -0.701 14.913 -1.474 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.611 15.056 0.968 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.398 13.323 1.121 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.765 14.021 1.248 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 1.660 13.800 -0.432 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 1.531 15.358 0.229 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.469 12.515 -2.915 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.899 12.713 -3.272 1.00 0.20 C ATOM 1448 C GLU A 95 -6.330 11.614 -4.244 1.00 0.17 C ATOM 1449 O GLU A 95 -7.474 11.207 -4.274 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.069 14.079 -3.938 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.607 15.179 -2.980 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.548 15.237 -1.775 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -7.717 14.935 -1.946 1.00 1.86 O ATOM 1454 OE2 GLU A 95 -6.081 15.581 -0.701 1.00 1.95 O ATOM 0 H GLU A 95 -3.833 13.245 -3.234 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.514 12.668 -2.373 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.490 14.120 -4.860 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.113 14.235 -4.210 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -4.587 14.983 -2.649 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.596 16.141 -3.493 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.415 11.133 -5.037 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.751 10.060 -6.010 1.00 0.14 C ATOM 1463 C LYS A 96 -6.046 8.760 -5.261 1.00 0.12 C ATOM 1464 O LYS A 96 -6.894 7.994 -5.658 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.576 9.858 -6.970 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.857 8.670 -7.897 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.816 8.625 -9.035 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.266 9.507 -10.212 1.00 1.18 C ATOM 1469 NZ LYS A 96 -3.073 9.897 -11.018 1.00 2.05 N ATOM 0 H LYS A 96 -4.442 11.440 -5.052 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.634 10.347 -6.580 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.418 10.761 -7.560 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.660 9.681 -6.406 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.826 7.740 -7.329 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.860 8.755 -8.315 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.849 8.967 -8.665 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.682 7.597 -9.373 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -4.979 8.967 -10.835 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -4.776 10.396 -9.841 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -3.373 10.494 -11.815 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -2.408 10.427 -10.420 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -2.605 9.042 -11.382 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.362 8.503 -4.174 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.635 7.246 -3.414 1.00 0.11 C ATOM 1485 C LEU A 97 -7.141 7.137 -3.177 1.00 0.11 C ATOM 1486 O LEU A 97 -7.720 6.071 -3.245 1.00 0.11 O ATOM 1487 CB LEU A 97 -4.927 7.292 -2.050 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.443 6.940 -2.194 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.748 7.240 -0.860 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.269 5.440 -2.567 1.00 0.13 C ATOM 0 H LEU A 97 -4.634 9.102 -3.784 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.270 6.392 -3.984 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.029 8.287 -1.616 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.406 6.594 -1.363 1.00 0.12 H new ATOM 0 HG LEU A 97 -2.998 7.534 -2.992 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.688 6.997 -0.939 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -2.861 8.297 -0.621 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.200 6.639 -0.071 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.208 5.210 -2.665 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.705 4.818 -1.785 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.772 5.240 -3.513 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.772 8.240 -2.892 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.239 8.217 -2.640 1.00 0.14 C ATOM 1504 C GLU A 98 -9.973 7.850 -3.931 1.00 0.13 C ATOM 1505 O GLU A 98 -10.760 6.924 -3.971 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.693 9.602 -2.160 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.078 9.500 -1.514 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.472 10.861 -0.937 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -10.787 11.323 -0.040 1.00 2.05 O ATOM 1510 OE2 GLU A 98 -12.452 11.419 -1.402 1.00 2.15 O ATOM 0 H GLU A 98 -7.335 9.159 -2.822 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.468 7.476 -1.874 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -8.976 10.001 -1.443 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.724 10.296 -3.000 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.813 9.179 -2.252 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.069 8.747 -0.726 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.725 8.575 -4.985 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.409 8.282 -6.276 1.00 0.14 C ATOM 1519 C ALA A 99 -10.085 6.859 -6.743 1.00 0.12 C ATOM 1520 O ALA A 99 -10.940 6.158 -7.234 1.00 0.13 O ATOM 1521 CB ALA A 99 -9.936 9.281 -7.335 1.00 0.15 C ATOM 0 H ALA A 99 -9.076 9.361 -5.009 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.486 8.369 -6.133 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.434 9.071 -8.282 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.179 10.294 -7.014 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.857 9.191 -7.464 1.00 0.15 H new ATOM 1527 N THR A 100 -8.857 6.434 -6.605 1.00 0.11 N ATOM 1528 CA THR A 100 -8.480 5.062 -7.061 1.00 0.11 C ATOM 1529 C THR A 100 -9.181 4.012 -6.199 1.00 0.10 C ATOM 1530 O THR A 100 -9.729 3.051 -6.701 1.00 0.11 O ATOM 1531 CB THR A 100 -6.964 4.884 -6.950 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.318 5.978 -7.585 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.550 3.580 -7.634 1.00 0.12 C ATOM 0 H THR A 100 -8.097 6.978 -6.196 1.00 0.11 H new ATOM 0 HA THR A 100 -8.788 4.935 -8.099 1.00 0.11 H new ATOM 0 HB THR A 100 -6.676 4.847 -5.899 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.437 6.787 -7.045 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.470 3.454 -7.554 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.050 2.741 -7.150 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.835 3.614 -8.686 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.175 4.186 -4.908 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.852 3.193 -4.026 1.00 0.11 C ATOM 1543 C ILE A 101 -11.340 3.152 -4.387 1.00 0.13 C ATOM 1544 O ILE A 101 -11.892 2.104 -4.644 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.670 3.610 -2.555 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.198 3.383 -2.141 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.600 2.772 -1.661 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.848 4.223 -0.902 1.00 0.18 C ATOM 0 H ILE A 101 -8.733 4.969 -4.426 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.418 2.203 -4.165 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.921 4.664 -2.438 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.033 2.327 -1.929 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.537 3.650 -2.966 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.469 3.069 -0.620 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.636 2.937 -1.958 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.355 1.716 -1.770 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.808 4.049 -0.627 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -7.992 5.280 -1.126 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.496 3.936 -0.073 1.00 0.18 H new ATOM 1560 N ASN A 102 -11.990 4.284 -4.419 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.440 4.301 -4.768 1.00 0.17 C ATOM 1562 C ASN A 102 -13.631 3.741 -6.180 1.00 0.18 C ATOM 1563 O ASN A 102 -14.717 3.356 -6.564 1.00 0.21 O ATOM 1564 CB ASN A 102 -13.963 5.738 -4.713 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.487 5.734 -4.850 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.158 4.909 -4.264 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.064 6.627 -5.606 1.00 1.03 N ATOM 0 H ASN A 102 -11.581 5.197 -4.219 1.00 0.14 H new ATOM 0 HA ASN A 102 -13.992 3.688 -4.056 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.673 6.206 -3.772 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.517 6.329 -5.513 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.079 6.632 -5.705 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.500 7.320 -6.098 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.582 3.696 -6.954 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.699 3.164 -8.342 1.00 0.18 C ATOM 1576 C GLU A 103 -12.772 1.635 -8.305 1.00 0.19 C ATOM 1577 O GLU A 103 -13.735 1.036 -8.741 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.468 3.594 -9.154 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.769 3.502 -10.653 1.00 0.22 C ATOM 1580 CD GLU A 103 -10.567 4.018 -11.445 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -9.470 3.546 -11.194 1.00 2.01 O ATOM 1582 OE2 GLU A 103 -10.763 4.877 -12.289 1.00 2.02 O ATOM 0 H GLU A 103 -11.648 4.005 -6.685 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.604 3.557 -8.806 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.189 4.615 -8.893 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.618 2.958 -8.906 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -11.984 2.470 -10.929 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.656 4.088 -10.894 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.743 1.003 -7.805 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.720 -0.488 -7.749 1.00 0.19 C ATOM 1591 C LEU A 104 -12.264 -0.980 -6.403 1.00 0.19 C ATOM 1592 O LEU A 104 -11.971 -2.076 -5.971 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.275 -0.971 -7.928 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.706 -0.454 -9.260 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.184 -0.625 -9.258 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.312 -1.237 -10.437 1.00 0.35 C ATOM 0 H LEU A 104 -10.911 1.460 -7.430 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.349 -0.888 -8.545 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.660 -0.618 -7.100 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.242 -2.060 -7.908 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.959 0.600 -9.373 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.776 -0.260 -10.200 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.755 -0.057 -8.432 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -7.937 -1.680 -9.140 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.901 -0.861 -11.374 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.070 -2.295 -10.333 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.395 -1.111 -10.439 1.00 0.35 H new ATOM 1672 N PHE B 3 19.329 2.490 1.496 1.00 0.00 N ATOM 1673 CA PHE B 3 19.129 3.407 0.329 1.00 0.00 C ATOM 1674 C PHE B 3 18.884 2.564 -0.925 1.00 0.00 C ATOM 1675 O PHE B 3 19.442 1.496 -1.082 1.00 0.00 O ATOM 1676 CB PHE B 3 20.397 4.253 0.131 1.00 0.00 C ATOM 1677 CG PHE B 3 20.412 5.402 1.115 1.00 0.00 C ATOM 1678 CD1 PHE B 3 20.743 5.173 2.464 1.00 0.00 C ATOM 1679 CD2 PHE B 3 20.104 6.705 0.679 1.00 0.00 C ATOM 1680 CE1 PHE B 3 20.764 6.245 3.376 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.124 7.777 1.593 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.455 7.547 2.941 1.00 0.00 C ATOM 0 HA PHE B 3 18.276 4.061 0.509 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.283 3.633 0.270 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.433 4.636 -0.889 1.00 0.00 H new ATOM 0 HD1 PHE B 3 20.981 4.174 2.799 1.00 0.00 H new ATOM 0 HD2 PHE B 3 19.852 6.883 -0.356 1.00 0.00 H new ATOM 0 HE1 PHE B 3 21.018 6.068 4.411 1.00 0.00 H new ATOM 0 HE2 PHE B 3 19.885 8.776 1.259 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.472 8.369 3.641 1.00 0.00 H new ATOM 1692 N ARG B 4 18.058 3.037 -1.828 1.00 0.00 N ATOM 1693 CA ARG B 4 17.785 2.264 -3.079 1.00 0.00 C ATOM 1694 C ARG B 4 17.661 3.240 -4.263 1.00 0.00 C ATOM 1695 O ARG B 4 18.628 3.475 -4.962 1.00 0.00 O ATOM 1696 CB ARG B 4 16.498 1.436 -2.903 1.00 0.00 C ATOM 1697 CG ARG B 4 16.547 0.183 -3.808 1.00 0.00 C ATOM 1698 CD ARG B 4 17.251 -0.983 -3.108 1.00 0.00 C ATOM 1699 NE ARG B 4 16.941 -2.235 -3.853 1.00 0.00 N ATOM 1700 CZ ARG B 4 17.645 -3.311 -3.651 1.00 0.00 C ATOM 1701 NH1 ARG B 4 18.637 -3.291 -2.807 1.00 0.00 N ATOM 1702 NH2 ARG B 4 17.359 -4.407 -4.300 1.00 0.00 N ATOM 0 H ARG B 4 17.562 3.925 -1.752 1.00 0.00 H new ATOM 0 HA ARG B 4 18.607 1.577 -3.282 1.00 0.00 H new ATOM 0 HB2 ARG B 4 16.388 1.138 -1.860 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.628 2.043 -3.155 1.00 0.00 H new ATOM 0 HG2 ARG B 4 15.533 -0.112 -4.079 1.00 0.00 H new ATOM 0 HG3 ARG B 4 17.069 0.422 -4.735 1.00 0.00 H new ATOM 0 HD2 ARG B 4 18.328 -0.815 -3.081 1.00 0.00 H new ATOM 0 HD3 ARG B 4 16.915 -1.064 -2.074 1.00 0.00 H new ATOM 0 HE ARG B 4 16.173 -2.249 -4.525 1.00 0.00 H new ATOM 0 HH11 ARG B 4 18.862 -2.432 -2.305 1.00 0.00 H new ATOM 0 HH12 ARG B 4 19.189 -4.134 -2.649 1.00 0.00 H new ATOM 0 HH21 ARG B 4 16.585 -4.419 -4.964 1.00 0.00 H new ATOM 0 HH22 ARG B 4 17.910 -5.251 -4.143 1.00 0.00 H new ATOM 1716 N TYR B 5 16.499 3.821 -4.494 1.00 0.00 N ATOM 1717 CA TYR B 5 16.349 4.791 -5.636 1.00 0.00 C ATOM 1718 C TYR B 5 15.796 6.133 -5.130 1.00 0.00 C ATOM 1719 O TYR B 5 15.770 6.399 -3.944 1.00 0.00 O ATOM 1720 CB TYR B 5 15.443 4.209 -6.736 1.00 0.00 C ATOM 1721 CG TYR B 5 14.270 3.453 -6.153 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.448 2.159 -5.630 1.00 0.00 C ATOM 1723 CD2 TYR B 5 12.990 4.027 -6.178 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.342 1.447 -5.123 1.00 0.00 C ATOM 1725 CE2 TYR B 5 11.889 3.312 -5.679 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.065 2.024 -5.150 1.00 0.00 C ATOM 1727 OH TYR B 5 10.981 1.324 -4.663 1.00 0.00 O ATOM 0 H TYR B 5 15.654 3.666 -3.945 1.00 0.00 H new ATOM 0 HA TYR B 5 17.334 4.964 -6.069 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.077 5.016 -7.370 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.025 3.543 -7.372 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.431 1.712 -5.617 1.00 0.00 H new ATOM 0 HD2 TYR B 5 12.851 5.019 -6.581 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.479 0.457 -4.714 1.00 0.00 H new ATOM 0 HE2 TYR B 5 10.904 3.755 -5.702 1.00 0.00 H new ATOM 0 HH TYR B 5 11.251 0.404 -4.458 1.00 0.00 H new ATOM 1737 N VAL B 6 15.412 7.001 -6.032 1.00 0.00 N ATOM 1738 CA VAL B 6 14.921 8.357 -5.630 1.00 0.00 C ATOM 1739 C VAL B 6 13.468 8.336 -5.154 1.00 0.00 C ATOM 1740 O VAL B 6 12.662 7.540 -5.592 1.00 0.00 O ATOM 1741 CB VAL B 6 15.015 9.296 -6.838 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.999 10.751 -6.367 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.307 9.021 -7.595 1.00 0.00 C ATOM 0 H VAL B 6 15.417 6.828 -7.037 1.00 0.00 H new ATOM 0 HA VAL B 6 15.544 8.698 -4.803 1.00 0.00 H new ATOM 0 HB VAL B 6 14.163 9.122 -7.495 1.00 0.00 H new ATOM 0 HG11 VAL B 6 15.066 11.414 -7.230 1.00 0.00 H new ATOM 0 HG12 VAL B 6 14.072 10.949 -5.829 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.847 10.929 -5.706 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.374 9.688 -8.454 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.158 9.191 -6.936 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.315 7.986 -7.938 1.00 0.00 H new ATOM 1753 N CYS B 7 13.131 9.258 -4.282 1.00 0.00 N ATOM 1754 CA CYS B 7 11.730 9.371 -3.781 1.00 0.00 C ATOM 1755 C CYS B 7 11.039 10.530 -4.498 1.00 0.00 C ATOM 1756 O CYS B 7 11.166 11.674 -4.109 1.00 0.00 O ATOM 1757 CB CYS B 7 11.733 9.633 -2.269 1.00 0.00 C ATOM 1758 SG CYS B 7 13.017 8.640 -1.469 1.00 0.00 S ATOM 0 H CYS B 7 13.778 9.944 -3.894 1.00 0.00 H new ATOM 0 HA CYS B 7 11.197 8.441 -3.978 1.00 0.00 H new ATOM 0 HB2 CYS B 7 11.908 10.691 -2.076 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.758 9.389 -1.848 1.00 0.00 H new ATOM 1763 N GLU B 8 10.308 10.253 -5.545 1.00 0.00 N ATOM 1764 CA GLU B 8 9.616 11.356 -6.273 1.00 0.00 C ATOM 1765 C GLU B 8 8.296 11.681 -5.571 1.00 0.00 C ATOM 1766 O GLU B 8 7.267 11.875 -6.196 1.00 0.00 O ATOM 1767 CB GLU B 8 9.335 10.942 -7.723 1.00 0.00 C ATOM 1768 CG GLU B 8 8.831 9.491 -7.770 1.00 0.00 C ATOM 1769 CD GLU B 8 7.952 9.287 -9.010 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.379 9.678 -10.085 1.00 0.00 O ATOM 1771 OE2 GLU B 8 6.870 8.744 -8.862 1.00 0.00 O ATOM 0 H GLU B 8 10.161 9.318 -5.925 1.00 0.00 H new ATOM 0 HA GLU B 8 10.259 12.236 -6.275 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.592 11.608 -8.162 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.242 11.040 -8.319 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.676 8.803 -7.795 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.262 9.264 -6.868 1.00 0.00 H new ATOM 1778 N GLY B 9 8.321 11.767 -4.272 1.00 0.00 N ATOM 1779 CA GLY B 9 7.078 12.111 -3.533 1.00 0.00 C ATOM 1780 C GLY B 9 6.800 13.611 -3.767 1.00 0.00 C ATOM 1781 O GLY B 9 6.812 14.040 -4.906 1.00 0.00 O ATOM 0 H GLY B 9 9.146 11.614 -3.692 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.242 11.507 -3.886 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.195 11.904 -2.469 1.00 0.00 H new ATOM 1785 N PRO B 10 6.586 14.397 -2.722 1.00 0.00 N ATOM 1786 CA PRO B 10 6.354 15.844 -2.903 1.00 0.00 C ATOM 1787 C PRO B 10 7.647 16.510 -3.402 1.00 0.00 C ATOM 1788 O PRO B 10 7.876 17.684 -3.187 1.00 0.00 O ATOM 1789 CB PRO B 10 5.966 16.366 -1.499 1.00 0.00 C ATOM 1790 CG PRO B 10 6.116 15.180 -0.503 1.00 0.00 C ATOM 1791 CD PRO B 10 6.540 13.939 -1.317 1.00 0.00 C ATOM 0 HA PRO B 10 5.577 16.062 -3.636 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.609 17.196 -1.207 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.942 16.741 -1.498 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.861 15.411 0.259 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.176 14.995 0.016 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.512 13.567 -0.992 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.828 13.123 -1.191 1.00 0.00 H new ATOM 1799 N SER B 11 8.495 15.759 -4.058 1.00 0.00 N ATOM 1800 CA SER B 11 9.783 16.317 -4.570 1.00 0.00 C ATOM 1801 C SER B 11 9.666 16.589 -6.074 1.00 0.00 C ATOM 1802 O SER B 11 10.618 16.979 -6.719 1.00 0.00 O ATOM 1803 CB SER B 11 10.902 15.296 -4.318 1.00 0.00 C ATOM 1804 OG SER B 11 12.160 15.958 -4.372 1.00 0.00 O ATOM 0 H SER B 11 8.347 14.771 -4.263 1.00 0.00 H new ATOM 0 HA SER B 11 10.010 17.251 -4.056 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.767 14.824 -3.345 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.862 14.503 -5.065 1.00 0.00 H new ATOM 0 HG SER B 11 12.182 16.556 -5.148 1.00 0.00 H new