USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 749 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 3 HIS : no HD1:sc= -5.4! C(o=-5.6!,f=-2.5!) USER MOD Set 1.2: A 103 THR OG1 : rot 130:sc= -0.194 USER MOD Set 2.1: A 101 LYS NZ :NH3+ 159:sc= 0.0133 (180deg=0) USER MOD Set 2.2: A 105 GLN : amide:sc= -1.05 X(o=-1,f=-1.3) USER MOD Set 3.1: A 59 MET CE :methyl -124:sc= -8.42! (180deg=-6.61!) USER MOD Set 3.2: A 88 MET CE :methyl 140:sc= -14.9! (180deg=-17.3!) USER MOD Set 3.3: B 72 THR OG1 : rot 87:sc= -1.01! USER MOD Set 4.1: A 55 SER OG : rot 140:sc= -0.675 USER MOD Set 4.2: A 57 LYS NZ :NH3+ 172:sc= 0.059 (180deg=-0.104) USER MOD Set 5.1: A 51 THR OG1 : rot 128:sc= -0.476 USER MOD Set 5.2: A 97 MET CE :methyl -178:sc= -9.18! (180deg=-9.31!) USER MOD Set 6.1: A 28 THR OG1 : rot -79:sc= -6.93! USER MOD Set 6.2: A 39 THR OG1 : rot -96:sc= 1.04! USER MOD Set 7.1: A 13 SER OG : rot 82:sc= 0.163 USER MOD Set 7.2: A 32 THR OG1 : rot 180:sc= 0.172 USER MOD Single : A 4 SER OG : rot 16:sc= 0.0677 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -2.11 K(o=-2.1,f=-0.42) USER MOD Single : A 23 SER OG : rot 150:sc= -0.922 USER MOD Single : A 31 SER OG : rot 7:sc= -3.23! USER MOD Single : A 36 LYS NZ :NH3+ -119:sc= -0.32 (180deg=-1.87!) USER MOD Single : A 38 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.01) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 33:sc= -0.0809 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -3.99! C(o=-4!,f=-3.7!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.758 USER MOD Single : A 58 MET CE :methyl -170:sc= -3.02! (180deg=-3.26!) USER MOD Single : A 87 HIS : no HD1:sc= -3.36 K(o=-3.4,f=-2.6) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.39) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.619 X(o=-0.62,f=-0.31) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 30:sc= 0.0192 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 1.783 -13.880 2.110 1.00 0.00 N ATOM 29 CA HIS A 3 2.258 -12.885 1.156 1.00 0.00 C ATOM 30 C HIS A 3 1.311 -12.769 -0.023 1.00 0.00 C ATOM 31 O HIS A 3 0.998 -11.670 -0.478 1.00 0.00 O ATOM 32 CB HIS A 3 3.662 -13.244 0.666 1.00 0.00 C ATOM 33 CG HIS A 3 4.608 -13.607 1.769 1.00 0.00 C ATOM 34 ND1 HIS A 3 5.757 -14.341 1.564 1.00 0.00 N ATOM 35 CD2 HIS A 3 4.571 -13.333 3.095 1.00 0.00 C ATOM 36 CE1 HIS A 3 6.384 -14.504 2.715 1.00 0.00 C ATOM 37 NE2 HIS A 3 5.686 -13.901 3.659 1.00 0.00 N ATOM 0 HA HIS A 3 2.295 -11.921 1.664 1.00 0.00 H new ATOM 0 HB2 HIS A 3 3.592 -14.079 -0.031 1.00 0.00 H new ATOM 0 HB3 HIS A 3 4.071 -12.400 0.111 1.00 0.00 H new ATOM 0 HD2 HIS A 3 3.807 -12.772 3.612 1.00 0.00 H new ATOM 0 HE1 HIS A 3 7.311 -15.040 2.859 1.00 0.00 H new ATOM 0 HE2 HIS A 3 5.935 -13.863 4.647 1.00 0.00 H new ATOM 46 N SER A 4 0.852 -13.908 -0.509 1.00 0.00 N ATOM 47 CA SER A 4 -0.069 -13.929 -1.634 1.00 0.00 C ATOM 48 C SER A 4 -1.508 -13.824 -1.157 1.00 0.00 C ATOM 49 O SER A 4 -1.933 -14.531 -0.243 1.00 0.00 O ATOM 50 CB SER A 4 0.107 -15.188 -2.480 1.00 0.00 C ATOM 51 OG SER A 4 -0.261 -16.349 -1.755 1.00 0.00 O ATOM 0 H SER A 4 1.100 -14.828 -0.145 1.00 0.00 H new ATOM 0 HA SER A 4 0.162 -13.065 -2.256 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.501 -15.111 -3.382 1.00 0.00 H new ATOM 0 HB3 SER A 4 1.145 -15.271 -2.802 1.00 0.00 H new ATOM 0 HG SER A 4 -0.788 -16.091 -0.970 1.00 0.00 H new ATOM 57 N GLY A 5 -2.243 -12.932 -1.792 1.00 0.00 N ATOM 58 CA GLY A 5 -3.629 -12.713 -1.457 1.00 0.00 C ATOM 59 C GLY A 5 -4.352 -12.047 -2.600 1.00 0.00 C ATOM 60 O GLY A 5 -3.750 -11.780 -3.639 1.00 0.00 O ATOM 0 H GLY A 5 -1.895 -12.344 -2.549 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.107 -13.664 -1.222 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.699 -12.092 -0.564 1.00 0.00 H new ATOM 64 N ALA A 6 -5.632 -11.773 -2.429 1.00 0.00 N ATOM 65 CA ALA A 6 -6.396 -11.130 -3.484 1.00 0.00 C ATOM 66 C ALA A 6 -6.640 -9.666 -3.166 1.00 0.00 C ATOM 67 O ALA A 6 -6.890 -9.298 -2.018 1.00 0.00 O ATOM 68 CB ALA A 6 -7.707 -11.857 -3.722 1.00 0.00 C ATOM 0 H ALA A 6 -6.160 -11.982 -1.582 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.809 -11.181 -4.401 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.261 -11.357 -4.516 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.504 -12.887 -4.014 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.299 -11.850 -2.807 1.00 0.00 H new ATOM 74 N ALA A 7 -6.556 -8.833 -4.193 1.00 0.00 N ATOM 75 CA ALA A 7 -6.757 -7.404 -4.029 1.00 0.00 C ATOM 76 C ALA A 7 -7.327 -6.778 -5.292 1.00 0.00 C ATOM 77 O ALA A 7 -7.290 -7.379 -6.366 1.00 0.00 O ATOM 78 CB ALA A 7 -5.448 -6.735 -3.645 1.00 0.00 C ATOM 0 H ALA A 7 -6.350 -9.124 -5.149 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.481 -7.251 -3.229 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.609 -5.664 -3.524 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.086 -7.156 -2.707 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.709 -6.905 -4.428 1.00 0.00 H new ATOM 84 N ILE A 8 -7.861 -5.569 -5.159 1.00 0.00 N ATOM 85 CA ILE A 8 -8.444 -4.868 -6.291 1.00 0.00 C ATOM 86 C ILE A 8 -8.063 -3.394 -6.297 1.00 0.00 C ATOM 87 O ILE A 8 -7.954 -2.761 -5.248 1.00 0.00 O ATOM 88 CB ILE A 8 -9.977 -4.980 -6.284 1.00 0.00 C ATOM 89 CG1 ILE A 8 -10.401 -6.439 -6.364 1.00 0.00 C ATOM 90 CG2 ILE A 8 -10.569 -4.195 -7.444 1.00 0.00 C ATOM 91 CD1 ILE A 8 -11.622 -6.749 -5.531 1.00 0.00 C ATOM 0 H ILE A 8 -7.901 -5.056 -4.278 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.046 -5.343 -7.188 1.00 0.00 H new ATOM 0 HB ILE A 8 -10.352 -4.559 -5.351 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -10.604 -6.696 -7.404 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -9.575 -7.070 -6.035 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.655 -4.283 -7.426 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.289 -3.146 -7.354 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -10.188 -4.593 -8.385 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -11.872 -7.805 -5.631 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -11.416 -6.523 -4.485 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.460 -6.143 -5.875 1.00 0.00 H new ATOM 103 N PHE A 9 -7.881 -2.853 -7.492 1.00 0.00 N ATOM 104 CA PHE A 9 -7.530 -1.449 -7.650 1.00 0.00 C ATOM 105 C PHE A 9 -8.167 -0.876 -8.914 1.00 0.00 C ATOM 106 O PHE A 9 -8.255 -1.554 -9.937 1.00 0.00 O ATOM 107 CB PHE A 9 -6.013 -1.280 -7.695 1.00 0.00 C ATOM 108 CG PHE A 9 -5.584 0.151 -7.813 1.00 0.00 C ATOM 109 CD1 PHE A 9 -5.617 0.790 -9.038 1.00 0.00 C ATOM 110 CD2 PHE A 9 -5.153 0.856 -6.701 1.00 0.00 C ATOM 111 CE1 PHE A 9 -5.226 2.110 -9.157 1.00 0.00 C ATOM 112 CE2 PHE A 9 -4.761 2.177 -6.810 1.00 0.00 C ATOM 113 CZ PHE A 9 -4.798 2.805 -8.041 1.00 0.00 C ATOM 0 H PHE A 9 -7.971 -3.366 -8.369 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.915 -0.900 -6.791 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.579 -1.710 -6.792 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -5.616 -1.843 -8.540 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.952 0.252 -9.912 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.123 0.368 -5.738 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.255 2.598 -10.120 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.427 2.717 -5.936 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.493 3.837 -8.131 1.00 0.00 H new ATOM 123 N GLU A 10 -8.620 0.373 -8.833 1.00 0.00 N ATOM 124 CA GLU A 10 -9.263 1.036 -9.964 1.00 0.00 C ATOM 125 C GLU A 10 -10.339 0.149 -10.577 1.00 0.00 C ATOM 126 O GLU A 10 -10.518 0.117 -11.795 1.00 0.00 O ATOM 127 CB GLU A 10 -8.233 1.425 -11.024 1.00 0.00 C ATOM 128 CG GLU A 10 -7.811 2.879 -10.934 1.00 0.00 C ATOM 129 CD GLU A 10 -6.775 3.253 -11.977 1.00 0.00 C ATOM 130 OE1 GLU A 10 -6.070 2.346 -12.466 1.00 0.00 O ATOM 131 OE2 GLU A 10 -6.669 4.454 -12.304 1.00 0.00 O ATOM 0 H GLU A 10 -8.553 0.948 -7.993 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.737 1.944 -9.591 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.353 0.790 -10.919 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.648 1.233 -12.014 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.688 3.516 -11.054 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.408 3.075 -9.941 1.00 0.00 H new ATOM 138 N LYS A 11 -11.058 -0.566 -9.721 1.00 0.00 N ATOM 139 CA LYS A 11 -12.127 -1.452 -10.167 1.00 0.00 C ATOM 140 C LYS A 11 -11.573 -2.641 -10.949 1.00 0.00 C ATOM 141 O LYS A 11 -12.315 -3.327 -11.652 1.00 0.00 O ATOM 142 CB LYS A 11 -13.136 -0.685 -11.031 1.00 0.00 C ATOM 143 CG LYS A 11 -13.247 0.794 -10.685 1.00 0.00 C ATOM 144 CD LYS A 11 -14.566 1.380 -11.163 1.00 0.00 C ATOM 145 CE LYS A 11 -15.126 2.380 -10.165 1.00 0.00 C ATOM 146 NZ LYS A 11 -16.138 1.759 -9.266 1.00 0.00 N ATOM 0 H LYS A 11 -10.920 -0.550 -8.711 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.632 -1.832 -9.279 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.851 -0.782 -12.078 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.117 -1.148 -10.924 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.159 0.924 -9.606 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.420 1.338 -11.140 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.420 1.869 -12.126 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.287 0.577 -11.319 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -14.312 2.791 -9.567 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.580 3.213 -10.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -16.496 2.473 -8.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.927 1.389 -9.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.699 0.980 -8.735 1.00 0.00 H new ATOM 160 N VAL A 12 -10.273 -2.894 -10.816 1.00 0.00 N ATOM 161 CA VAL A 12 -9.645 -4.013 -11.504 1.00 0.00 C ATOM 162 C VAL A 12 -9.124 -5.017 -10.488 1.00 0.00 C ATOM 163 O VAL A 12 -8.276 -4.684 -9.663 1.00 0.00 O ATOM 164 CB VAL A 12 -8.482 -3.552 -12.405 1.00 0.00 C ATOM 165 CG1 VAL A 12 -8.108 -4.647 -13.393 1.00 0.00 C ATOM 166 CG2 VAL A 12 -8.844 -2.267 -13.136 1.00 0.00 C ATOM 0 H VAL A 12 -9.639 -2.340 -10.240 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.402 -4.476 -12.137 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.617 -3.350 -11.773 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.286 -4.305 -14.021 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.801 -5.540 -12.848 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.969 -4.882 -14.019 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.009 -1.959 -13.766 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.724 -2.437 -13.757 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.058 -1.483 -12.410 1.00 0.00 H new ATOM 176 N SER A 13 -9.651 -6.236 -10.530 1.00 0.00 N ATOM 177 CA SER A 13 -9.242 -7.265 -9.583 1.00 0.00 C ATOM 178 C SER A 13 -7.997 -8.007 -10.045 1.00 0.00 C ATOM 179 O SER A 13 -7.700 -8.084 -11.236 1.00 0.00 O ATOM 180 CB SER A 13 -10.376 -8.257 -9.337 1.00 0.00 C ATOM 181 OG SER A 13 -10.747 -8.918 -10.535 1.00 0.00 O ATOM 0 H SER A 13 -10.356 -6.533 -11.204 1.00 0.00 H new ATOM 0 HA SER A 13 -9.000 -6.757 -8.649 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.065 -8.992 -8.594 1.00 0.00 H new ATOM 0 HB3 SER A 13 -11.239 -7.733 -8.926 1.00 0.00 H new ATOM 0 HG SER A 13 -10.132 -9.663 -10.702 1.00 0.00 H new ATOM 187 N GLY A 14 -7.272 -8.536 -9.068 1.00 0.00 N ATOM 188 CA GLY A 14 -6.047 -9.261 -9.331 1.00 0.00 C ATOM 189 C GLY A 14 -5.523 -9.936 -8.082 1.00 0.00 C ATOM 190 O GLY A 14 -6.146 -9.854 -7.023 1.00 0.00 O ATOM 0 H GLY A 14 -7.518 -8.473 -8.080 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.225 -10.010 -10.103 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.293 -8.576 -9.719 1.00 0.00 H new ATOM 194 N ILE A 15 -4.379 -10.598 -8.191 1.00 0.00 N ATOM 195 CA ILE A 15 -3.792 -11.272 -7.041 1.00 0.00 C ATOM 196 C ILE A 15 -2.571 -10.502 -6.568 1.00 0.00 C ATOM 197 O ILE A 15 -1.723 -10.101 -7.364 1.00 0.00 O ATOM 198 CB ILE A 15 -3.381 -12.726 -7.356 1.00 0.00 C ATOM 199 CG1 ILE A 15 -4.419 -13.394 -8.260 1.00 0.00 C ATOM 200 CG2 ILE A 15 -3.208 -13.520 -6.064 1.00 0.00 C ATOM 201 CD1 ILE A 15 -4.031 -14.789 -8.700 1.00 0.00 C ATOM 0 H ILE A 15 -3.843 -10.683 -9.055 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.554 -11.304 -6.262 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.427 -12.709 -7.883 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.372 -13.440 -7.733 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.573 -12.773 -9.143 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.918 -14.543 -6.302 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.434 -13.056 -5.453 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.149 -13.528 -5.513 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.813 -15.200 -9.338 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.094 -14.748 -9.256 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.905 -15.425 -7.824 1.00 0.00 H new ATOM 213 N ILE A 16 -2.513 -10.275 -5.266 1.00 0.00 N ATOM 214 CA ILE A 16 -1.429 -9.521 -4.661 1.00 0.00 C ATOM 215 C ILE A 16 -0.468 -10.452 -3.923 1.00 0.00 C ATOM 216 O ILE A 16 -0.895 -11.289 -3.132 1.00 0.00 O ATOM 217 CB ILE A 16 -2.001 -8.479 -3.680 1.00 0.00 C ATOM 218 CG1 ILE A 16 -0.883 -7.656 -3.043 1.00 0.00 C ATOM 219 CG2 ILE A 16 -2.851 -9.161 -2.616 1.00 0.00 C ATOM 220 CD1 ILE A 16 -1.343 -6.294 -2.574 1.00 0.00 C ATOM 0 H ILE A 16 -3.213 -10.607 -4.602 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.879 -9.012 -5.452 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.638 -7.795 -4.240 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.472 -8.206 -2.196 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.075 -7.532 -3.764 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.247 -8.411 -1.931 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.676 -9.689 -3.093 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.238 -9.871 -2.061 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.503 -5.759 -2.131 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.727 -5.728 -3.422 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.131 -6.412 -1.830 1.00 0.00 H new ATOM 232 N ALA A 17 0.829 -10.326 -4.200 1.00 0.00 N ATOM 233 CA ALA A 17 1.821 -11.191 -3.564 1.00 0.00 C ATOM 234 C ALA A 17 3.126 -10.461 -3.260 1.00 0.00 C ATOM 235 O ALA A 17 3.563 -9.606 -4.029 1.00 0.00 O ATOM 236 CB ALA A 17 2.106 -12.383 -4.460 1.00 0.00 C ATOM 0 H ALA A 17 1.214 -9.643 -4.852 1.00 0.00 H new ATOM 0 HA ALA A 17 1.402 -11.519 -2.613 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.846 -13.027 -3.984 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.186 -12.945 -4.622 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.491 -12.034 -5.418 1.00 0.00 H new ATOM 242 N ILE A 18 3.759 -10.832 -2.145 1.00 0.00 N ATOM 243 CA ILE A 18 5.033 -10.234 -1.751 1.00 0.00 C ATOM 244 C ILE A 18 6.195 -11.063 -2.292 1.00 0.00 C ATOM 245 O ILE A 18 6.116 -12.290 -2.359 1.00 0.00 O ATOM 246 CB ILE A 18 5.179 -10.133 -0.217 1.00 0.00 C ATOM 247 CG1 ILE A 18 3.840 -9.794 0.447 1.00 0.00 C ATOM 248 CG2 ILE A 18 6.228 -9.093 0.143 1.00 0.00 C ATOM 249 CD1 ILE A 18 3.123 -8.621 -0.185 1.00 0.00 C ATOM 0 H ILE A 18 3.410 -11.542 -1.501 1.00 0.00 H new ATOM 0 HA ILE A 18 5.051 -9.228 -2.170 1.00 0.00 H new ATOM 0 HB ILE A 18 5.501 -11.105 0.157 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.192 -10.670 0.404 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.013 -9.577 1.501 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.322 -9.031 1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.187 -9.379 -0.288 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.928 -8.122 -0.251 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.184 -8.443 0.340 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.750 -7.732 -0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.917 -8.842 -1.232 1.00 0.00 H new ATOM 261 N ASN A 19 7.268 -10.386 -2.680 1.00 0.00 N ATOM 262 CA ASN A 19 8.446 -11.055 -3.221 1.00 0.00 C ATOM 263 C ASN A 19 9.681 -10.733 -2.398 1.00 0.00 C ATOM 264 O ASN A 19 10.169 -9.604 -2.408 1.00 0.00 O ATOM 265 CB ASN A 19 8.667 -10.637 -4.676 1.00 0.00 C ATOM 266 CG ASN A 19 9.135 -11.790 -5.543 1.00 0.00 C ATOM 267 OD1 ASN A 19 8.327 -12.488 -6.156 1.00 0.00 O ATOM 268 ND2 ASN A 19 10.445 -11.994 -5.600 1.00 0.00 N ATOM 0 H ASN A 19 7.348 -9.370 -2.630 1.00 0.00 H new ATOM 0 HA ASN A 19 8.275 -12.131 -3.177 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.738 -10.235 -5.081 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.404 -9.835 -4.713 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.819 -12.754 -6.169 1.00 0.00 H new ATOM 0 HD22 ASN A 19 11.078 -11.391 -5.075 1.00 0.00 H new ATOM 275 N GLU A 20 10.190 -11.743 -1.703 1.00 0.00 N ATOM 276 CA GLU A 20 11.384 -11.585 -0.887 1.00 0.00 C ATOM 277 C GLU A 20 12.530 -12.384 -1.486 1.00 0.00 C ATOM 278 O GLU A 20 13.429 -12.841 -0.781 1.00 0.00 O ATOM 279 CB GLU A 20 11.120 -12.030 0.552 1.00 0.00 C ATOM 280 CG GLU A 20 10.042 -11.218 1.252 1.00 0.00 C ATOM 281 CD GLU A 20 10.178 -11.246 2.761 1.00 0.00 C ATOM 282 OE1 GLU A 20 10.886 -10.375 3.310 1.00 0.00 O ATOM 283 OE2 GLU A 20 9.578 -12.139 3.395 1.00 0.00 O ATOM 0 H GLU A 20 9.792 -12.682 -1.689 1.00 0.00 H new ATOM 0 HA GLU A 20 11.657 -10.530 -0.871 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.829 -13.080 0.551 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.046 -11.956 1.122 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.088 -10.185 0.906 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.062 -11.605 0.972 1.00 0.00 H new ATOM 290 N ASP A 21 12.481 -12.539 -2.801 1.00 0.00 N ATOM 291 CA ASP A 21 13.505 -13.276 -3.530 1.00 0.00 C ATOM 292 C ASP A 21 14.475 -12.318 -4.212 1.00 0.00 C ATOM 293 O ASP A 21 15.628 -12.664 -4.468 1.00 0.00 O ATOM 294 CB ASP A 21 12.860 -14.195 -4.569 1.00 0.00 C ATOM 295 CG ASP A 21 12.598 -15.587 -4.027 1.00 0.00 C ATOM 296 OD1 ASP A 21 12.475 -15.729 -2.793 1.00 0.00 O ATOM 297 OD2 ASP A 21 12.515 -16.534 -4.838 1.00 0.00 O ATOM 0 H ASP A 21 11.738 -12.162 -3.389 1.00 0.00 H new ATOM 0 HA ASP A 21 14.061 -13.884 -2.816 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.920 -13.756 -4.905 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.509 -14.264 -5.442 1.00 0.00 H new ATOM 302 N VAL A 22 14.002 -11.108 -4.498 1.00 0.00 N ATOM 303 CA VAL A 22 14.836 -10.098 -5.145 1.00 0.00 C ATOM 304 C VAL A 22 15.369 -9.103 -4.118 1.00 0.00 C ATOM 305 O VAL A 22 14.905 -9.070 -2.979 1.00 0.00 O ATOM 306 CB VAL A 22 14.073 -9.325 -6.250 1.00 0.00 C ATOM 307 CG1 VAL A 22 14.567 -9.739 -7.628 1.00 0.00 C ATOM 308 CG2 VAL A 22 12.568 -9.531 -6.138 1.00 0.00 C ATOM 0 H VAL A 22 13.050 -10.803 -4.293 1.00 0.00 H new ATOM 0 HA VAL A 22 15.664 -10.631 -5.612 1.00 0.00 H new ATOM 0 HB VAL A 22 14.273 -8.263 -6.110 1.00 0.00 H new ATOM 0 HG11 VAL A 22 14.020 -9.186 -8.392 1.00 0.00 H new ATOM 0 HG12 VAL A 22 15.631 -9.520 -7.714 1.00 0.00 H new ATOM 0 HG13 VAL A 22 14.404 -10.808 -7.767 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.065 -8.974 -6.929 1.00 0.00 H new ATOM 0 HG22 VAL A 22 12.338 -10.592 -6.238 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.223 -9.174 -5.167 1.00 0.00 H new ATOM 318 N SER A 23 16.346 -8.292 -4.523 1.00 0.00 N ATOM 319 CA SER A 23 16.931 -7.302 -3.622 1.00 0.00 C ATOM 320 C SER A 23 15.837 -6.489 -2.934 1.00 0.00 C ATOM 321 O SER A 23 15.639 -6.608 -1.725 1.00 0.00 O ATOM 322 CB SER A 23 17.888 -6.376 -4.377 1.00 0.00 C ATOM 323 OG SER A 23 17.771 -6.551 -5.779 1.00 0.00 O ATOM 0 H SER A 23 16.746 -8.301 -5.461 1.00 0.00 H new ATOM 0 HA SER A 23 17.500 -7.834 -2.859 1.00 0.00 H new ATOM 0 HB2 SER A 23 17.675 -5.339 -4.118 1.00 0.00 H new ATOM 0 HB3 SER A 23 18.913 -6.577 -4.067 1.00 0.00 H new ATOM 0 HG SER A 23 17.978 -5.707 -6.232 1.00 0.00 H new ATOM 329 N PRO A 24 15.088 -5.665 -3.692 1.00 0.00 N ATOM 330 CA PRO A 24 14.004 -4.869 -3.131 1.00 0.00 C ATOM 331 C PRO A 24 12.759 -5.711 -2.926 1.00 0.00 C ATOM 332 O PRO A 24 11.888 -5.761 -3.793 1.00 0.00 O ATOM 333 CB PRO A 24 13.749 -3.814 -4.199 1.00 0.00 C ATOM 334 CG PRO A 24 14.105 -4.493 -5.478 1.00 0.00 C ATOM 335 CD PRO A 24 15.216 -5.462 -5.150 1.00 0.00 C ATOM 0 HA PRO A 24 14.254 -4.450 -2.156 1.00 0.00 H new ATOM 0 HB2 PRO A 24 12.709 -3.489 -4.197 1.00 0.00 H new ATOM 0 HB3 PRO A 24 14.360 -2.927 -4.036 1.00 0.00 H new ATOM 0 HG2 PRO A 24 13.243 -5.016 -5.893 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.429 -3.769 -6.225 1.00 0.00 H new ATOM 0 HD2 PRO A 24 15.104 -6.399 -5.696 1.00 0.00 H new ATOM 0 HD3 PRO A 24 16.192 -5.055 -5.413 1.00 0.00 H new ATOM 343 N ALA A 25 12.682 -6.375 -1.779 1.00 0.00 N ATOM 344 CA ALA A 25 11.534 -7.221 -1.468 1.00 0.00 C ATOM 345 C ALA A 25 10.254 -6.471 -1.768 1.00 0.00 C ATOM 346 O ALA A 25 9.792 -5.673 -0.964 1.00 0.00 O ATOM 347 CB ALA A 25 11.557 -7.671 -0.023 1.00 0.00 C ATOM 0 H ALA A 25 13.396 -6.345 -1.052 1.00 0.00 H new ATOM 0 HA ALA A 25 11.584 -8.114 -2.092 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.689 -8.299 0.176 1.00 0.00 H new ATOM 0 HB2 ALA A 25 12.467 -8.239 0.167 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.531 -6.799 0.630 1.00 0.00 H new ATOM 353 N GLU A 26 9.724 -6.711 -2.953 1.00 0.00 N ATOM 354 CA GLU A 26 8.524 -6.028 -3.417 1.00 0.00 C ATOM 355 C GLU A 26 7.372 -6.988 -3.670 1.00 0.00 C ATOM 356 O GLU A 26 7.548 -8.201 -3.654 1.00 0.00 O ATOM 357 CB GLU A 26 8.846 -5.240 -4.681 1.00 0.00 C ATOM 358 CG GLU A 26 9.558 -6.055 -5.749 1.00 0.00 C ATOM 359 CD GLU A 26 8.673 -7.129 -6.351 1.00 0.00 C ATOM 360 OE1 GLU A 26 7.502 -6.828 -6.662 1.00 0.00 O ATOM 361 OE2 GLU A 26 9.151 -8.272 -6.510 1.00 0.00 O ATOM 0 H GLU A 26 10.108 -7.380 -3.620 1.00 0.00 H new ATOM 0 HA GLU A 26 8.201 -5.349 -2.628 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.919 -4.844 -5.097 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.467 -4.384 -4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.903 -5.388 -6.540 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.443 -6.520 -5.316 1.00 0.00 H new ATOM 368 N LEU A 27 6.187 -6.427 -3.906 1.00 0.00 N ATOM 369 CA LEU A 27 5.002 -7.214 -4.157 1.00 0.00 C ATOM 370 C LEU A 27 4.399 -6.824 -5.491 1.00 0.00 C ATOM 371 O LEU A 27 4.423 -5.652 -5.869 1.00 0.00 O ATOM 372 CB LEU A 27 3.978 -7.007 -3.035 1.00 0.00 C ATOM 373 CG LEU A 27 3.328 -5.620 -2.989 1.00 0.00 C ATOM 374 CD1 LEU A 27 2.193 -5.524 -3.999 1.00 0.00 C ATOM 375 CD2 LEU A 27 2.821 -5.315 -1.586 1.00 0.00 C ATOM 0 H LEU A 27 6.032 -5.419 -3.927 1.00 0.00 H new ATOM 0 HA LEU A 27 5.278 -8.268 -4.185 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.192 -7.755 -3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.468 -7.192 -2.079 1.00 0.00 H new ATOM 0 HG LEU A 27 4.083 -4.879 -3.252 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.745 -4.531 -3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.583 -5.697 -5.002 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.437 -6.275 -3.769 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.363 -4.326 -1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.082 -6.062 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.655 -5.338 -0.885 1.00 0.00 H new ATOM 387 N THR A 28 3.854 -7.795 -6.205 1.00 0.00 N ATOM 388 CA THR A 28 3.251 -7.510 -7.491 1.00 0.00 C ATOM 389 C THR A 28 1.789 -7.908 -7.502 1.00 0.00 C ATOM 390 O THR A 28 1.373 -8.846 -6.822 1.00 0.00 O ATOM 391 CB THR A 28 4.033 -8.187 -8.619 1.00 0.00 C ATOM 392 OG1 THR A 28 4.696 -7.230 -9.409 1.00 0.00 O ATOM 393 CG2 THR A 28 3.190 -9.023 -9.555 1.00 0.00 C ATOM 0 H THR A 28 3.818 -8.773 -5.919 1.00 0.00 H new ATOM 0 HA THR A 28 3.296 -6.434 -7.662 1.00 0.00 H new ATOM 0 HB THR A 28 4.728 -8.850 -8.103 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.057 -6.817 -10.027 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.827 -9.464 -10.322 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.698 -9.816 -8.992 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.437 -8.393 -10.027 1.00 0.00 H new ATOM 401 N TRP A 29 1.017 -7.161 -8.266 1.00 0.00 N ATOM 402 CA TRP A 29 -0.413 -7.390 -8.367 1.00 0.00 C ATOM 403 C TRP A 29 -0.826 -7.722 -9.798 1.00 0.00 C ATOM 404 O TRP A 29 -0.813 -6.860 -10.670 1.00 0.00 O ATOM 405 CB TRP A 29 -1.148 -6.145 -7.880 1.00 0.00 C ATOM 406 CG TRP A 29 -2.629 -6.293 -7.880 1.00 0.00 C ATOM 407 CD1 TRP A 29 -3.395 -6.840 -6.895 1.00 0.00 C ATOM 408 CD2 TRP A 29 -3.525 -5.887 -8.913 1.00 0.00 C ATOM 409 NE1 TRP A 29 -4.717 -6.798 -7.251 1.00 0.00 N ATOM 410 CE2 TRP A 29 -4.823 -6.218 -8.486 1.00 0.00 C ATOM 411 CE3 TRP A 29 -3.356 -5.274 -10.159 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -5.948 -5.958 -9.256 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -4.480 -5.017 -10.925 1.00 0.00 C ATOM 414 CH2 TRP A 29 -5.760 -5.358 -10.471 1.00 0.00 C ATOM 0 H TRP A 29 1.359 -6.383 -8.831 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.676 -8.246 -7.746 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -0.814 -5.907 -6.870 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.875 -5.301 -8.513 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.016 -7.247 -5.969 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.495 -7.142 -6.688 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -2.372 -5.008 -10.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.936 -6.220 -8.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.368 -4.545 -11.890 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.616 -5.143 -11.093 1.00 0.00 H new ATOM 425 N ARG A 30 -1.199 -8.976 -10.031 1.00 0.00 N ATOM 426 CA ARG A 30 -1.618 -9.411 -11.360 1.00 0.00 C ATOM 427 C ARG A 30 -3.137 -9.511 -11.451 1.00 0.00 C ATOM 428 O ARG A 30 -3.769 -10.227 -10.674 1.00 0.00 O ATOM 429 CB ARG A 30 -0.985 -10.762 -11.699 1.00 0.00 C ATOM 430 CG ARG A 30 -1.091 -11.132 -13.169 1.00 0.00 C ATOM 431 CD ARG A 30 -1.286 -12.629 -13.354 1.00 0.00 C ATOM 432 NE ARG A 30 -2.060 -12.936 -14.554 1.00 0.00 N ATOM 433 CZ ARG A 30 -1.555 -12.925 -15.785 1.00 0.00 C ATOM 434 NH1 ARG A 30 -0.277 -12.624 -15.983 1.00 0.00 N ATOM 435 NH2 ARG A 30 -2.328 -13.217 -16.822 1.00 0.00 N ATOM 0 H ARG A 30 -1.220 -9.707 -9.320 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.280 -8.666 -12.080 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.067 -10.743 -11.413 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.464 -11.538 -11.102 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.926 -10.597 -13.621 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.189 -10.814 -13.691 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.313 -13.116 -13.416 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.793 -13.039 -12.481 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.046 -13.173 -14.442 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.323 -12.400 -15.189 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.105 -12.617 -16.929 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.310 -13.450 -16.676 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.940 -13.208 -17.765 1.00 0.00 H new ATOM 449 N SER A 31 -3.719 -8.788 -12.404 1.00 0.00 N ATOM 450 CA SER A 31 -5.164 -8.796 -12.593 1.00 0.00 C ATOM 451 C SER A 31 -5.642 -10.141 -13.129 1.00 0.00 C ATOM 452 O SER A 31 -4.868 -10.899 -13.714 1.00 0.00 O ATOM 453 CB SER A 31 -5.575 -7.675 -13.547 1.00 0.00 C ATOM 454 OG SER A 31 -6.429 -6.745 -12.904 1.00 0.00 O ATOM 0 H SER A 31 -3.211 -8.190 -13.056 1.00 0.00 H new ATOM 0 HA SER A 31 -5.633 -8.632 -11.623 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.686 -7.163 -13.915 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.081 -8.099 -14.414 1.00 0.00 H new ATOM 0 HG SER A 31 -6.491 -6.963 -11.951 1.00 0.00 H new ATOM 460 N THR A 32 -6.923 -10.429 -12.925 1.00 0.00 N ATOM 461 CA THR A 32 -7.510 -11.681 -13.388 1.00 0.00 C ATOM 462 C THR A 32 -8.375 -11.449 -14.618 1.00 0.00 C ATOM 463 O THR A 32 -8.420 -12.275 -15.530 1.00 0.00 O ATOM 464 CB THR A 32 -8.343 -12.321 -12.277 1.00 0.00 C ATOM 465 OG1 THR A 32 -8.948 -11.327 -11.469 1.00 0.00 O ATOM 466 CG2 THR A 32 -7.538 -13.224 -11.368 1.00 0.00 C ATOM 0 H THR A 32 -7.575 -9.812 -12.442 1.00 0.00 H new ATOM 0 HA THR A 32 -6.699 -12.357 -13.657 1.00 0.00 H new ATOM 0 HB THR A 32 -9.092 -12.925 -12.789 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.478 -11.756 -10.765 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.190 -13.645 -10.603 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.098 -14.031 -11.954 1.00 0.00 H new ATOM 0 HG23 THR A 32 -6.745 -12.647 -10.892 1.00 0.00 H new ATOM 505 N LYS A 36 -3.929 -7.041 -16.418 1.00 0.00 N ATOM 506 CA LYS A 36 -2.883 -6.091 -16.062 1.00 0.00 C ATOM 507 C LYS A 36 -2.034 -6.624 -14.914 1.00 0.00 C ATOM 508 O LYS A 36 -2.398 -7.601 -14.262 1.00 0.00 O ATOM 509 CB LYS A 36 -3.489 -4.741 -15.677 1.00 0.00 C ATOM 510 CG LYS A 36 -4.472 -4.817 -14.522 1.00 0.00 C ATOM 511 CD LYS A 36 -4.929 -3.432 -14.091 1.00 0.00 C ATOM 512 CE LYS A 36 -5.829 -2.792 -15.135 1.00 0.00 C ATOM 513 NZ LYS A 36 -5.049 -2.034 -16.152 1.00 0.00 N ATOM 0 HA LYS A 36 -2.244 -5.955 -16.935 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.685 -4.054 -15.413 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.995 -4.320 -16.546 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.337 -5.412 -14.816 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.006 -5.327 -13.679 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.463 -3.502 -13.143 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.059 -2.797 -13.921 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.417 -3.565 -15.630 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.534 -2.121 -14.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.328 -1.032 -16.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.034 -2.116 -15.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.240 -2.424 -17.097 1.00 0.00 H new ATOM 527 N VAL A 37 -0.902 -5.975 -14.673 1.00 0.00 N ATOM 528 CA VAL A 37 0.000 -6.382 -13.603 1.00 0.00 C ATOM 529 C VAL A 37 0.683 -5.175 -12.972 1.00 0.00 C ATOM 530 O VAL A 37 1.411 -4.444 -13.643 1.00 0.00 O ATOM 531 CB VAL A 37 1.077 -7.356 -14.116 1.00 0.00 C ATOM 532 CG1 VAL A 37 1.876 -7.929 -12.956 1.00 0.00 C ATOM 533 CG2 VAL A 37 0.444 -8.468 -14.939 1.00 0.00 C ATOM 0 H VAL A 37 -0.586 -5.164 -15.205 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.608 -6.887 -12.852 1.00 0.00 H new ATOM 0 HB VAL A 37 1.762 -6.804 -14.760 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.632 -8.615 -13.338 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.363 -7.118 -12.414 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.207 -8.465 -12.283 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.221 -9.146 -15.293 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.265 -9.019 -14.321 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.078 -8.037 -15.793 1.00 0.00 H new ATOM 543 N HIS A 38 0.455 -4.970 -11.678 1.00 0.00 N ATOM 544 CA HIS A 38 1.063 -3.851 -10.973 1.00 0.00 C ATOM 545 C HIS A 38 2.072 -4.339 -9.937 1.00 0.00 C ATOM 546 O HIS A 38 1.707 -4.893 -8.904 1.00 0.00 O ATOM 547 CB HIS A 38 -0.014 -3.005 -10.292 1.00 0.00 C ATOM 548 CG HIS A 38 0.371 -1.569 -10.123 1.00 0.00 C ATOM 549 ND1 HIS A 38 0.143 -0.859 -8.963 1.00 0.00 N ATOM 550 CD2 HIS A 38 0.974 -0.707 -10.977 1.00 0.00 C ATOM 551 CE1 HIS A 38 0.588 0.377 -9.111 1.00 0.00 C ATOM 552 NE2 HIS A 38 1.097 0.494 -10.323 1.00 0.00 N ATOM 0 H HIS A 38 -0.143 -5.561 -11.101 1.00 0.00 H new ATOM 0 HA HIS A 38 1.590 -3.239 -11.705 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.932 -3.060 -10.877 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.234 -3.431 -9.313 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.298 -0.924 -11.984 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.543 1.158 -8.367 1.00 0.00 H new ATOM 0 HE2 HIS A 38 1.514 1.340 -10.711 1.00 0.00 H new ATOM 561 N THR A 39 3.341 -4.099 -10.225 1.00 0.00 N ATOM 562 CA THR A 39 4.439 -4.483 -9.336 1.00 0.00 C ATOM 563 C THR A 39 4.828 -3.298 -8.457 1.00 0.00 C ATOM 564 O THR A 39 5.433 -2.339 -8.936 1.00 0.00 O ATOM 565 CB THR A 39 5.654 -4.901 -10.171 1.00 0.00 C ATOM 566 OG1 THR A 39 5.282 -5.804 -11.200 1.00 0.00 O ATOM 567 CG2 THR A 39 6.752 -5.550 -9.355 1.00 0.00 C ATOM 0 H THR A 39 3.645 -3.633 -11.080 1.00 0.00 H new ATOM 0 HA THR A 39 4.116 -5.315 -8.710 1.00 0.00 H new ATOM 0 HB THR A 39 6.041 -3.972 -10.591 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.434 -6.724 -10.898 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.580 -5.820 -10.010 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.103 -4.851 -8.596 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.364 -6.447 -8.871 1.00 0.00 H new ATOM 575 N VAL A 40 4.487 -3.361 -7.178 1.00 0.00 N ATOM 576 CA VAL A 40 4.817 -2.280 -6.259 1.00 0.00 C ATOM 577 C VAL A 40 6.117 -2.579 -5.527 1.00 0.00 C ATOM 578 O VAL A 40 6.172 -3.487 -4.697 1.00 0.00 O ATOM 579 CB VAL A 40 3.698 -2.051 -5.225 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.998 -0.823 -4.377 1.00 0.00 C ATOM 581 CG2 VAL A 40 2.350 -1.915 -5.917 1.00 0.00 C ATOM 0 H VAL A 40 3.986 -4.142 -6.755 1.00 0.00 H new ATOM 0 HA VAL A 40 4.930 -1.375 -6.856 1.00 0.00 H new ATOM 0 HB VAL A 40 3.655 -2.918 -4.565 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.197 -0.677 -3.652 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.942 -0.966 -3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.070 0.054 -5.020 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.572 -1.754 -5.170 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.377 -1.068 -6.602 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.134 -2.826 -6.475 1.00 0.00 H new ATOM 591 N VAL A 41 7.167 -1.824 -5.837 1.00 0.00 N ATOM 592 CA VAL A 41 8.452 -2.045 -5.193 1.00 0.00 C ATOM 593 C VAL A 41 8.441 -1.558 -3.755 1.00 0.00 C ATOM 594 O VAL A 41 8.616 -0.371 -3.484 1.00 0.00 O ATOM 595 CB VAL A 41 9.624 -1.383 -5.939 1.00 0.00 C ATOM 596 CG1 VAL A 41 10.953 -1.833 -5.332 1.00 0.00 C ATOM 597 CG2 VAL A 41 9.568 -1.714 -7.422 1.00 0.00 C ATOM 0 H VAL A 41 7.153 -1.066 -6.519 1.00 0.00 H new ATOM 0 HA VAL A 41 8.606 -3.124 -5.216 1.00 0.00 H new ATOM 0 HB VAL A 41 9.543 -0.301 -5.832 1.00 0.00 H new ATOM 0 HG11 VAL A 41 11.776 -1.359 -5.867 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.989 -1.545 -4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 41 11.042 -2.916 -5.415 1.00 0.00 H new ATOM 0 HG21 VAL A 41 10.404 -1.237 -7.933 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.629 -2.794 -7.556 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.631 -1.348 -7.841 1.00 0.00 H new ATOM 607 N LEU A 42 8.255 -2.498 -2.836 1.00 0.00 N ATOM 608 CA LEU A 42 8.238 -2.198 -1.409 1.00 0.00 C ATOM 609 C LEU A 42 9.425 -1.318 -1.030 1.00 0.00 C ATOM 610 O LEU A 42 9.374 -0.574 -0.051 1.00 0.00 O ATOM 611 CB LEU A 42 8.300 -3.499 -0.617 1.00 0.00 C ATOM 612 CG LEU A 42 6.949 -4.123 -0.248 1.00 0.00 C ATOM 613 CD1 LEU A 42 6.174 -4.520 -1.497 1.00 0.00 C ATOM 614 CD2 LEU A 42 7.155 -5.333 0.654 1.00 0.00 C ATOM 0 H LEU A 42 8.113 -3.484 -3.057 1.00 0.00 H new ATOM 0 HA LEU A 42 7.317 -1.663 -1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.869 -4.227 -1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.857 -3.316 0.302 1.00 0.00 H new ATOM 0 HG LEU A 42 6.365 -3.377 0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.220 -4.960 -1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.996 -3.637 -2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.751 -5.248 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.188 -5.766 0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.760 -6.076 0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.665 -5.024 1.566 1.00 0.00 H new ATOM 626 N SER A 43 10.491 -1.409 -1.820 1.00 0.00 N ATOM 627 CA SER A 43 11.692 -0.619 -1.578 1.00 0.00 C ATOM 628 C SER A 43 11.352 0.855 -1.641 1.00 0.00 C ATOM 629 O SER A 43 11.653 1.622 -0.727 1.00 0.00 O ATOM 630 CB SER A 43 12.776 -0.957 -2.602 1.00 0.00 C ATOM 631 OG SER A 43 14.070 -0.824 -2.038 1.00 0.00 O ATOM 0 H SER A 43 10.547 -2.022 -2.633 1.00 0.00 H new ATOM 0 HA SER A 43 12.076 -0.857 -0.586 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.636 -1.976 -2.962 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.683 -0.299 -3.466 1.00 0.00 H new ATOM 0 HG SER A 43 14.745 -1.047 -2.712 1.00 0.00 H new ATOM 637 N THR A 44 10.691 1.229 -2.720 1.00 0.00 N ATOM 638 CA THR A 44 10.261 2.596 -2.913 1.00 0.00 C ATOM 639 C THR A 44 9.128 2.916 -1.945 1.00 0.00 C ATOM 640 O THR A 44 8.845 4.080 -1.666 1.00 0.00 O ATOM 641 CB THR A 44 9.797 2.800 -4.352 1.00 0.00 C ATOM 642 OG1 THR A 44 9.209 1.618 -4.862 1.00 0.00 O ATOM 643 CG2 THR A 44 10.913 3.200 -5.292 1.00 0.00 C ATOM 0 H THR A 44 10.440 0.598 -3.481 1.00 0.00 H new ATOM 0 HA THR A 44 11.098 3.267 -2.718 1.00 0.00 H new ATOM 0 HB THR A 44 9.073 3.614 -4.308 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.757 1.138 -4.137 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.513 3.328 -6.298 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.354 4.138 -4.955 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.677 2.422 -5.302 1.00 0.00 H new ATOM 651 N ILE A 45 8.487 1.865 -1.426 1.00 0.00 N ATOM 652 CA ILE A 45 7.392 2.038 -0.478 1.00 0.00 C ATOM 653 C ILE A 45 7.930 2.325 0.919 1.00 0.00 C ATOM 654 O ILE A 45 8.649 1.511 1.498 1.00 0.00 O ATOM 655 CB ILE A 45 6.479 0.796 -0.428 1.00 0.00 C ATOM 656 CG1 ILE A 45 5.973 0.450 -1.830 1.00 0.00 C ATOM 657 CG2 ILE A 45 5.308 1.035 0.516 1.00 0.00 C ATOM 658 CD1 ILE A 45 5.057 1.501 -2.419 1.00 0.00 C ATOM 0 H ILE A 45 8.708 0.894 -1.646 1.00 0.00 H new ATOM 0 HA ILE A 45 6.802 2.887 -0.823 1.00 0.00 H new ATOM 0 HB ILE A 45 7.060 -0.046 -0.052 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.828 0.312 -2.492 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.443 -0.502 -1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.673 0.149 0.540 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.684 1.239 1.518 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.727 1.888 0.166 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.737 1.189 -3.413 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.183 1.623 -1.778 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.590 2.449 -2.490 1.00 0.00 H new ATOM 670 N ASP A 46 7.583 3.491 1.452 1.00 0.00 N ATOM 671 CA ASP A 46 8.040 3.892 2.778 1.00 0.00 C ATOM 672 C ASP A 46 6.944 3.709 3.825 1.00 0.00 C ATOM 673 O ASP A 46 7.227 3.612 5.019 1.00 0.00 O ATOM 674 CB ASP A 46 8.501 5.350 2.757 1.00 0.00 C ATOM 675 CG ASP A 46 9.588 5.628 3.777 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.452 4.748 3.978 1.00 0.00 O ATOM 677 OD2 ASP A 46 9.575 6.724 4.375 1.00 0.00 O ATOM 0 H ASP A 46 6.987 4.175 0.987 1.00 0.00 H new ATOM 0 HA ASP A 46 8.878 3.250 3.050 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.869 5.597 1.761 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.648 6.001 2.952 1.00 0.00 H new ATOM 682 N LYS A 47 5.692 3.668 3.377 1.00 0.00 N ATOM 683 CA LYS A 47 4.566 3.502 4.288 1.00 0.00 C ATOM 684 C LYS A 47 3.710 2.300 3.897 1.00 0.00 C ATOM 685 O LYS A 47 3.545 1.995 2.716 1.00 0.00 O ATOM 686 CB LYS A 47 3.711 4.770 4.308 1.00 0.00 C ATOM 687 CG LYS A 47 3.854 5.579 5.587 1.00 0.00 C ATOM 688 CD LYS A 47 5.023 6.547 5.506 1.00 0.00 C ATOM 689 CE LYS A 47 4.560 7.952 5.159 1.00 0.00 C ATOM 690 NZ LYS A 47 5.588 8.701 4.385 1.00 0.00 N ATOM 0 H LYS A 47 5.434 3.747 2.393 1.00 0.00 H new ATOM 0 HA LYS A 47 4.966 3.323 5.286 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.985 5.396 3.459 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.664 4.495 4.177 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.934 6.133 5.773 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.997 4.905 6.431 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.551 6.562 6.459 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.732 6.200 4.754 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.638 7.898 4.580 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.329 8.495 6.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.233 9.654 4.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.460 8.776 4.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.790 8.197 3.498 1.00 0.00 H new ATOM 704 N LEU A 48 3.165 1.628 4.905 1.00 0.00 N ATOM 705 CA LEU A 48 2.317 0.460 4.691 1.00 0.00 C ATOM 706 C LEU A 48 1.309 0.336 5.828 1.00 0.00 C ATOM 707 O LEU A 48 1.690 0.134 6.979 1.00 0.00 O ATOM 708 CB LEU A 48 3.177 -0.807 4.603 1.00 0.00 C ATOM 709 CG LEU A 48 2.411 -2.136 4.602 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.000 -2.521 6.015 1.00 0.00 C ATOM 711 CD2 LEU A 48 1.193 -2.057 3.693 1.00 0.00 C ATOM 0 H LEU A 48 3.297 1.874 5.886 1.00 0.00 H new ATOM 0 HA LEU A 48 1.777 0.580 3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.776 -0.754 3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.872 -0.811 5.443 1.00 0.00 H new ATOM 0 HG LEU A 48 3.075 -2.909 4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.458 -3.466 5.991 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.889 -2.628 6.636 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.358 -1.745 6.431 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.665 -3.011 3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.527 -1.268 4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.513 -1.835 2.675 1.00 0.00 H new ATOM 723 N GLN A 49 0.026 0.469 5.506 1.00 0.00 N ATOM 724 CA GLN A 49 -1.020 0.385 6.522 1.00 0.00 C ATOM 725 C GLN A 49 -2.150 -0.547 6.100 1.00 0.00 C ATOM 726 O GLN A 49 -2.509 -0.620 4.925 1.00 0.00 O ATOM 727 CB GLN A 49 -1.590 1.776 6.814 1.00 0.00 C ATOM 728 CG GLN A 49 -0.552 2.886 6.782 1.00 0.00 C ATOM 729 CD GLN A 49 -0.530 3.624 5.458 1.00 0.00 C ATOM 730 OE1 GLN A 49 -1.522 4.231 5.055 1.00 0.00 O ATOM 731 NE2 GLN A 49 0.607 3.573 4.773 1.00 0.00 N ATOM 0 H GLN A 49 -0.313 0.634 4.558 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.562 -0.023 7.423 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.369 1.999 6.085 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.065 1.765 7.795 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.757 3.594 7.585 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.434 2.463 6.974 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.404 3.058 5.146 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.683 4.049 3.874 1.00 0.00 H new ATOM 740 N ALA A 50 -2.718 -1.242 7.082 1.00 0.00 N ATOM 741 CA ALA A 50 -3.825 -2.160 6.845 1.00 0.00 C ATOM 742 C ALA A 50 -4.945 -1.894 7.842 1.00 0.00 C ATOM 743 O ALA A 50 -4.721 -1.282 8.883 1.00 0.00 O ATOM 744 CB ALA A 50 -3.353 -3.601 6.942 1.00 0.00 C ATOM 0 H ALA A 50 -2.425 -1.185 8.057 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.208 -1.996 5.838 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.193 -4.272 6.762 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.579 -3.781 6.196 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.948 -3.785 7.937 1.00 0.00 H new ATOM 750 N THR A 51 -6.153 -2.334 7.520 1.00 0.00 N ATOM 751 CA THR A 51 -7.290 -2.106 8.403 1.00 0.00 C ATOM 752 C THR A 51 -7.285 -3.051 9.603 1.00 0.00 C ATOM 753 O THR A 51 -7.185 -4.269 9.454 1.00 0.00 O ATOM 754 CB THR A 51 -8.594 -2.243 7.632 1.00 0.00 C ATOM 755 OG1 THR A 51 -8.866 -3.601 7.342 1.00 0.00 O ATOM 756 CG2 THR A 51 -8.585 -1.477 6.329 1.00 0.00 C ATOM 0 H THR A 51 -6.371 -2.845 6.665 1.00 0.00 H new ATOM 0 HA THR A 51 -7.203 -1.090 8.787 1.00 0.00 H new ATOM 0 HB THR A 51 -9.367 -1.825 8.277 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.774 -3.823 7.637 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.540 -1.611 5.822 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.427 -0.418 6.531 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.781 -1.849 5.694 1.00 0.00 H new ATOM 764 N PRO A 52 -7.401 -2.484 10.818 1.00 0.00 N ATOM 765 CA PRO A 52 -7.420 -3.225 12.066 1.00 0.00 C ATOM 766 C PRO A 52 -8.841 -3.458 12.554 1.00 0.00 C ATOM 767 O PRO A 52 -9.782 -2.838 12.056 1.00 0.00 O ATOM 768 CB PRO A 52 -6.700 -2.264 12.997 1.00 0.00 C ATOM 769 CG PRO A 52 -7.185 -0.920 12.560 1.00 0.00 C ATOM 770 CD PRO A 52 -7.528 -1.040 11.089 1.00 0.00 C ATOM 0 HA PRO A 52 -6.972 -4.216 11.992 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.945 -2.458 14.041 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.618 -2.350 12.902 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.058 -0.617 13.138 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.419 -0.161 12.718 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.536 -0.681 10.882 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.848 -0.455 10.470 1.00 0.00 H new ATOM 778 N ALA A 53 -8.999 -4.338 13.534 1.00 0.00 N ATOM 779 CA ALA A 53 -10.316 -4.628 14.094 1.00 0.00 C ATOM 780 C ALA A 53 -11.037 -3.353 14.563 1.00 0.00 C ATOM 781 O ALA A 53 -12.168 -3.422 15.045 1.00 0.00 O ATOM 782 CB ALA A 53 -10.189 -5.613 15.246 1.00 0.00 C ATOM 0 H ALA A 53 -8.234 -4.863 13.958 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.919 -5.072 13.302 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.177 -5.822 15.656 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.742 -6.539 14.885 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.557 -5.184 16.023 1.00 0.00 H new ATOM 788 N SER A 54 -10.387 -2.193 14.420 1.00 0.00 N ATOM 789 CA SER A 54 -10.982 -0.925 14.830 1.00 0.00 C ATOM 790 C SER A 54 -12.253 -0.650 14.058 1.00 0.00 C ATOM 791 O SER A 54 -13.186 -0.024 14.561 1.00 0.00 O ATOM 792 CB SER A 54 -9.997 0.200 14.551 1.00 0.00 C ATOM 793 OG SER A 54 -8.753 -0.034 15.188 1.00 0.00 O ATOM 0 H SER A 54 -9.451 -2.110 14.024 1.00 0.00 H new ATOM 0 HA SER A 54 -11.216 -0.982 15.893 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.845 0.295 13.476 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.414 1.145 14.899 1.00 0.00 H new ATOM 0 HG SER A 54 -8.140 0.704 14.989 1.00 0.00 H new ATOM 799 N SER A 55 -12.272 -1.121 12.833 1.00 0.00 N ATOM 800 CA SER A 55 -13.411 -0.937 11.962 1.00 0.00 C ATOM 801 C SER A 55 -13.696 -2.196 11.152 1.00 0.00 C ATOM 802 O SER A 55 -12.930 -3.159 11.190 1.00 0.00 O ATOM 803 CB SER A 55 -13.131 0.229 11.037 1.00 0.00 C ATOM 804 OG SER A 55 -14.299 0.996 10.804 1.00 0.00 O ATOM 0 H SER A 55 -11.502 -1.641 12.412 1.00 0.00 H new ATOM 0 HA SER A 55 -14.293 -0.731 12.568 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.358 0.863 11.472 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.742 -0.142 10.089 1.00 0.00 H new ATOM 0 HG SER A 55 -14.070 1.949 10.802 1.00 0.00 H new ATOM 810 N GLU A 56 -14.796 -2.176 10.409 1.00 0.00 N ATOM 811 CA GLU A 56 -15.175 -3.309 9.575 1.00 0.00 C ATOM 812 C GLU A 56 -14.507 -3.222 8.203 1.00 0.00 C ATOM 813 O GLU A 56 -14.527 -4.182 7.433 1.00 0.00 O ATOM 814 CB GLU A 56 -16.695 -3.364 9.413 1.00 0.00 C ATOM 815 CG GLU A 56 -17.445 -3.442 10.733 1.00 0.00 C ATOM 816 CD GLU A 56 -18.946 -3.537 10.545 1.00 0.00 C ATOM 817 OE1 GLU A 56 -19.510 -2.686 9.825 1.00 0.00 O ATOM 818 OE2 GLU A 56 -19.559 -4.463 11.118 1.00 0.00 O ATOM 0 H GLU A 56 -15.441 -1.387 10.367 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.836 -4.221 10.067 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.026 -2.480 8.868 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.956 -4.230 8.805 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.097 -4.310 11.294 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.212 -2.561 11.332 1.00 0.00 H new ATOM 825 N LYS A 57 -13.918 -2.065 7.902 1.00 0.00 N ATOM 826 CA LYS A 57 -13.249 -1.856 6.623 1.00 0.00 C ATOM 827 C LYS A 57 -12.062 -2.800 6.461 1.00 0.00 C ATOM 828 O LYS A 57 -11.234 -2.934 7.361 1.00 0.00 O ATOM 829 CB LYS A 57 -12.776 -0.405 6.503 1.00 0.00 C ATOM 830 CG LYS A 57 -13.827 0.613 6.918 1.00 0.00 C ATOM 831 CD LYS A 57 -13.290 1.592 7.943 1.00 0.00 C ATOM 832 CE LYS A 57 -14.180 2.819 8.057 1.00 0.00 C ATOM 833 NZ LYS A 57 -15.595 2.457 8.351 1.00 0.00 N ATOM 0 H LYS A 57 -13.892 -1.260 8.528 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.968 -2.068 5.831 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.887 -0.269 7.119 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.482 -0.211 5.471 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.171 1.159 6.039 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.693 0.094 7.330 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.218 1.102 8.914 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.281 1.897 7.664 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.801 3.470 8.845 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.137 3.386 7.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.139 3.320 8.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.008 1.973 7.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.627 1.825 9.176 1.00 0.00 H new ATOM 847 N MET A 58 -11.982 -3.442 5.300 1.00 0.00 N ATOM 848 CA MET A 58 -10.893 -4.366 5.004 1.00 0.00 C ATOM 849 C MET A 58 -10.132 -3.898 3.769 1.00 0.00 C ATOM 850 O MET A 58 -10.645 -3.966 2.652 1.00 0.00 O ATOM 851 CB MET A 58 -11.434 -5.778 4.782 1.00 0.00 C ATOM 852 CG MET A 58 -12.619 -5.830 3.832 1.00 0.00 C ATOM 853 SD MET A 58 -14.155 -6.289 4.657 1.00 0.00 S ATOM 854 CE MET A 58 -14.937 -7.271 3.381 1.00 0.00 C ATOM 0 H MET A 58 -12.661 -3.339 4.546 1.00 0.00 H new ATOM 0 HA MET A 58 -10.213 -4.385 5.855 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.635 -6.407 4.389 1.00 0.00 H new ATOM 0 HB3 MET A 58 -11.729 -6.201 5.742 1.00 0.00 H new ATOM 0 HG2 MET A 58 -12.743 -4.856 3.359 1.00 0.00 H new ATOM 0 HG3 MET A 58 -12.411 -6.546 3.037 1.00 0.00 H new ATOM 0 HE1 MET A 58 -15.968 -7.481 3.664 1.00 0.00 H new ATOM 0 HE2 MET A 58 -14.924 -6.721 2.440 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.395 -8.209 3.261 1.00 0.00 H new ATOM 864 N MET A 59 -8.913 -3.409 3.973 1.00 0.00 N ATOM 865 CA MET A 59 -8.104 -2.919 2.866 1.00 0.00 C ATOM 866 C MET A 59 -6.644 -2.723 3.270 1.00 0.00 C ATOM 867 O MET A 59 -6.292 -2.818 4.445 1.00 0.00 O ATOM 868 CB MET A 59 -8.683 -1.600 2.350 1.00 0.00 C ATOM 869 CG MET A 59 -8.571 -0.453 3.337 1.00 0.00 C ATOM 870 SD MET A 59 -10.156 0.008 4.070 1.00 0.00 S ATOM 871 CE MET A 59 -9.634 1.251 5.256 1.00 0.00 C ATOM 0 H MET A 59 -8.467 -3.342 4.888 1.00 0.00 H new ATOM 0 HA MET A 59 -8.129 -3.670 2.076 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.170 -1.325 1.428 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.733 -1.749 2.098 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.878 -0.731 4.131 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.146 0.414 2.831 1.00 0.00 H new ATOM 0 HE1 MET A 59 -9.976 0.970 6.252 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.546 1.323 5.253 1.00 0.00 H new ATOM 0 HE3 MET A 59 -10.062 2.216 4.984 1.00 0.00 H new ATOM 881 N LEU A 60 -5.805 -2.439 2.277 1.00 0.00 N ATOM 882 CA LEU A 60 -4.380 -2.213 2.504 1.00 0.00 C ATOM 883 C LEU A 60 -3.920 -0.972 1.740 1.00 0.00 C ATOM 884 O LEU A 60 -4.321 -0.757 0.597 1.00 0.00 O ATOM 885 CB LEU A 60 -3.568 -3.439 2.064 1.00 0.00 C ATOM 886 CG LEU A 60 -2.866 -4.202 3.192 1.00 0.00 C ATOM 887 CD1 LEU A 60 -2.103 -5.403 2.643 1.00 0.00 C ATOM 888 CD2 LEU A 60 -1.929 -3.277 3.953 1.00 0.00 C ATOM 0 H LEU A 60 -6.090 -2.360 1.301 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.215 -2.053 3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.234 -4.127 1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.816 -3.116 1.344 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.627 -4.570 3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.613 -5.929 3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.798 -6.078 2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.352 -5.062 1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.438 -3.833 4.751 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.177 -2.880 3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.500 -2.454 4.383 1.00 0.00 H new ATOM 900 N ARG A 61 -3.087 -0.153 2.377 1.00 0.00 N ATOM 901 CA ARG A 61 -2.592 1.068 1.746 1.00 0.00 C ATOM 902 C ARG A 61 -1.074 1.045 1.611 1.00 0.00 C ATOM 903 O ARG A 61 -0.365 0.587 2.507 1.00 0.00 O ATOM 904 CB ARG A 61 -3.025 2.295 2.553 1.00 0.00 C ATOM 905 CG ARG A 61 -2.543 3.617 1.971 1.00 0.00 C ATOM 906 CD ARG A 61 -3.628 4.294 1.149 1.00 0.00 C ATOM 907 NE ARG A 61 -3.307 5.688 0.850 1.00 0.00 N ATOM 908 CZ ARG A 61 -3.297 6.659 1.760 1.00 0.00 C ATOM 909 NH1 ARG A 61 -3.568 6.390 3.031 1.00 0.00 N ATOM 910 NH2 ARG A 61 -3.011 7.903 1.400 1.00 0.00 N ATOM 0 H ARG A 61 -2.742 -0.311 3.324 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.022 1.125 0.746 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.113 2.312 2.615 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.649 2.199 3.572 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.231 4.279 2.779 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.667 3.443 1.346 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.769 3.748 0.216 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.573 4.249 1.691 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.077 5.931 -0.113 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.785 5.435 3.315 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.559 7.138 3.724 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.799 8.116 0.425 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.003 8.647 2.098 1.00 0.00 H new ATOM 924 N LEU A 62 -0.583 1.551 0.484 1.00 0.00 N ATOM 925 CA LEU A 62 0.850 1.601 0.221 1.00 0.00 C ATOM 926 C LEU A 62 1.264 3.001 -0.220 1.00 0.00 C ATOM 927 O LEU A 62 0.988 3.412 -1.347 1.00 0.00 O ATOM 928 CB LEU A 62 1.236 0.582 -0.857 1.00 0.00 C ATOM 929 CG LEU A 62 0.463 -0.741 -0.826 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.415 -1.307 0.586 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.944 -0.554 -1.382 1.00 0.00 C ATOM 0 H LEU A 62 -1.160 1.934 -0.265 1.00 0.00 H new ATOM 0 HA LEU A 62 1.373 1.352 1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.093 1.043 -1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.299 0.363 -0.760 1.00 0.00 H new ATOM 0 HG LEU A 62 0.988 -1.457 -1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.139 -2.246 0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.430 -1.485 0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.081 -0.596 1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.477 -1.505 -1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.478 0.181 -0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.884 -0.204 -2.413 1.00 0.00 H new ATOM 943 N ILE A 63 1.923 3.732 0.673 1.00 0.00 N ATOM 944 CA ILE A 63 2.367 5.086 0.367 1.00 0.00 C ATOM 945 C ILE A 63 3.848 5.105 -0.006 1.00 0.00 C ATOM 946 O ILE A 63 4.717 4.923 0.846 1.00 0.00 O ATOM 947 CB ILE A 63 2.106 6.041 1.556 1.00 0.00 C ATOM 948 CG1 ILE A 63 0.659 6.532 1.524 1.00 0.00 C ATOM 949 CG2 ILE A 63 3.064 7.225 1.546 1.00 0.00 C ATOM 950 CD1 ILE A 63 -0.151 6.064 2.706 1.00 0.00 C ATOM 0 H ILE A 63 2.161 3.410 1.611 1.00 0.00 H new ATOM 0 HA ILE A 63 1.789 5.435 -0.489 1.00 0.00 H new ATOM 0 HB ILE A 63 2.278 5.484 2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.652 7.622 1.495 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.184 6.186 0.606 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.850 7.873 2.396 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.090 6.863 1.615 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.938 7.787 0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.169 6.446 2.624 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.173 4.974 2.724 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.302 6.433 3.626 1.00 0.00 H new ATOM 962 N GLY A 64 4.123 5.331 -1.286 1.00 0.00 N ATOM 963 CA GLY A 64 5.495 5.374 -1.754 1.00 0.00 C ATOM 964 C GLY A 64 6.315 6.437 -1.050 1.00 0.00 C ATOM 965 O GLY A 64 5.764 7.367 -0.461 1.00 0.00 O ATOM 0 H GLY A 64 3.419 5.485 -2.008 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.959 4.400 -1.599 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.504 5.564 -2.827 1.00 0.00 H new ATOM 1311 N ARG A 86 0.844 7.748 -2.985 1.00 0.00 N ATOM 1312 CA ARG A 86 -0.089 7.075 -2.089 1.00 0.00 C ATOM 1313 C ARG A 86 -1.241 6.436 -2.858 1.00 0.00 C ATOM 1314 O ARG A 86 -1.858 7.068 -3.716 1.00 0.00 O ATOM 1315 CB ARG A 86 -0.640 8.063 -1.057 1.00 0.00 C ATOM 1316 CG ARG A 86 0.403 9.027 -0.516 1.00 0.00 C ATOM 1317 CD ARG A 86 -0.140 9.839 0.649 1.00 0.00 C ATOM 1318 NE ARG A 86 -0.842 11.039 0.200 1.00 0.00 N ATOM 1319 CZ ARG A 86 -1.372 11.940 1.024 1.00 0.00 C ATOM 1320 NH1 ARG A 86 -1.282 11.781 2.339 1.00 0.00 N ATOM 1321 NH2 ARG A 86 -1.994 13.003 0.532 1.00 0.00 N ATOM 0 HA ARG A 86 0.458 6.283 -1.577 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.450 8.635 -1.511 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.071 7.504 -0.226 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.283 8.470 -0.194 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.725 9.700 -1.311 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.819 9.221 1.237 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.682 10.124 1.306 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.931 11.196 -0.804 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.805 10.965 2.723 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.690 12.475 2.966 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.066 13.130 -0.478 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.400 13.694 1.163 1.00 0.00 H new ATOM 1335 N HIS A 87 -1.527 5.178 -2.536 1.00 0.00 N ATOM 1336 CA HIS A 87 -2.609 4.442 -3.182 1.00 0.00 C ATOM 1337 C HIS A 87 -3.265 3.484 -2.191 1.00 0.00 C ATOM 1338 O HIS A 87 -2.580 2.800 -1.431 1.00 0.00 O ATOM 1339 CB HIS A 87 -2.092 3.668 -4.401 1.00 0.00 C ATOM 1340 CG HIS A 87 -0.635 3.323 -4.333 1.00 0.00 C ATOM 1341 ND1 HIS A 87 0.338 4.030 -5.007 1.00 0.00 N ATOM 1342 CD2 HIS A 87 0.012 2.339 -3.665 1.00 0.00 C ATOM 1343 CE1 HIS A 87 1.520 3.495 -4.758 1.00 0.00 C ATOM 1344 NE2 HIS A 87 1.350 2.469 -3.946 1.00 0.00 N ATOM 0 H HIS A 87 -1.022 4.645 -1.828 1.00 0.00 H new ATOM 0 HA HIS A 87 -3.353 5.162 -3.523 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -2.668 2.748 -4.505 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.273 4.261 -5.298 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.440 1.591 -3.030 1.00 0.00 H new ATOM 0 HE1 HIS A 87 2.465 3.839 -5.152 1.00 0.00 H new ATOM 0 HE2 HIS A 87 2.092 1.869 -3.585 1.00 0.00 H new ATOM 1353 N MET A 88 -4.593 3.444 -2.201 1.00 0.00 N ATOM 1354 CA MET A 88 -5.338 2.574 -1.295 1.00 0.00 C ATOM 1355 C MET A 88 -5.892 1.360 -2.034 1.00 0.00 C ATOM 1356 O MET A 88 -6.584 1.495 -3.043 1.00 0.00 O ATOM 1357 CB MET A 88 -6.484 3.346 -0.632 1.00 0.00 C ATOM 1358 CG MET A 88 -7.146 2.595 0.518 1.00 0.00 C ATOM 1359 SD MET A 88 -8.392 3.588 1.369 1.00 0.00 S ATOM 1360 CE MET A 88 -8.493 2.761 2.960 1.00 0.00 C ATOM 0 H MET A 88 -5.176 4.002 -2.825 1.00 0.00 H new ATOM 0 HA MET A 88 -4.650 2.226 -0.525 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.102 4.297 -0.261 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.238 3.577 -1.385 1.00 0.00 H new ATOM 0 HG2 MET A 88 -7.610 1.687 0.134 1.00 0.00 H new ATOM 0 HG3 MET A 88 -6.383 2.286 1.232 1.00 0.00 H new ATOM 0 HE1 MET A 88 -8.584 3.505 3.752 1.00 0.00 H new ATOM 0 HE2 MET A 88 -9.364 2.106 2.975 1.00 0.00 H new ATOM 0 HE3 MET A 88 -7.592 2.169 3.120 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.592 0.178 -1.512 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.066 -1.067 -2.101 1.00 0.00 C ATOM 1372 C PHE A 89 -7.367 -1.480 -1.421 1.00 0.00 C ATOM 1373 O PHE A 89 -7.597 -1.115 -0.274 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.002 -2.155 -1.934 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.554 -2.766 -3.231 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -5.470 -3.361 -4.080 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.219 -2.743 -3.600 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -5.065 -3.923 -5.275 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -2.807 -3.304 -4.794 1.00 0.00 C ATOM 1380 CZ PHE A 89 -3.731 -3.895 -5.633 1.00 0.00 C ATOM 0 H PHE A 89 -5.019 0.055 -0.677 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.252 -0.926 -3.166 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.137 -1.730 -1.425 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.396 -2.941 -1.290 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.514 -3.386 -3.805 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.492 -2.282 -2.948 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.791 -4.384 -5.929 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.763 -3.280 -5.071 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.412 -4.334 -6.567 1.00 0.00 H new ATOM 1390 N SER A 90 -8.231 -2.215 -2.121 1.00 0.00 N ATOM 1391 CA SER A 90 -9.504 -2.620 -1.531 1.00 0.00 C ATOM 1392 C SER A 90 -9.913 -4.028 -1.945 1.00 0.00 C ATOM 1393 O SER A 90 -9.946 -4.358 -3.130 1.00 0.00 O ATOM 1394 CB SER A 90 -10.600 -1.631 -1.930 1.00 0.00 C ATOM 1395 OG SER A 90 -11.656 -1.631 -0.985 1.00 0.00 O ATOM 0 H SER A 90 -8.077 -2.536 -3.077 1.00 0.00 H new ATOM 0 HA SER A 90 -9.373 -2.620 -0.449 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.179 -0.629 -2.009 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.989 -1.892 -2.914 1.00 0.00 H new ATOM 0 HG SER A 90 -12.343 -0.989 -1.262 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.249 -4.847 -0.951 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.689 -6.217 -1.197 1.00 0.00 C ATOM 1403 C PHE A 91 -11.800 -6.599 -0.224 1.00 0.00 C ATOM 1404 O PHE A 91 -12.089 -5.864 0.720 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.531 -7.220 -1.093 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.205 -6.627 -0.703 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.551 -5.755 -1.551 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -7.603 -6.965 0.498 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.323 -5.228 -1.215 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -6.373 -6.436 0.843 1.00 0.00 C ATOM 1411 CZ PHE A 91 -5.733 -5.568 -0.017 1.00 0.00 C ATOM 0 H PHE A 91 -10.225 -4.584 0.034 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.071 -6.258 -2.217 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.798 -7.985 -0.364 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.418 -7.722 -2.054 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.008 -5.482 -2.491 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.099 -7.648 1.171 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.823 -4.549 -1.890 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -5.914 -6.702 1.784 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.771 -5.155 0.248 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.429 -7.744 -0.467 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.519 -8.208 0.385 1.00 0.00 C ATOM 1423 C ASN A 92 -13.044 -9.241 1.404 1.00 0.00 C ATOM 1424 O ASN A 92 -13.851 -9.995 1.948 1.00 0.00 O ATOM 1425 CB ASN A 92 -14.638 -8.802 -0.471 1.00 0.00 C ATOM 1426 CG ASN A 92 -14.163 -9.967 -1.317 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -13.933 -11.065 -0.810 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -14.012 -9.732 -2.616 1.00 0.00 N ATOM 0 H ASN A 92 -12.204 -8.366 -1.244 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.896 -7.346 0.935 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.450 -9.134 0.176 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.045 -8.027 -1.121 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -13.694 -10.477 -3.235 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.214 -8.806 -2.994 1.00 0.00 H new ATOM 1435 N ASN A 93 -11.739 -9.278 1.667 1.00 0.00 N ATOM 1436 CA ASN A 93 -11.192 -10.228 2.626 1.00 0.00 C ATOM 1437 C ASN A 93 -10.498 -9.512 3.780 1.00 0.00 C ATOM 1438 O ASN A 93 -9.450 -8.893 3.602 1.00 0.00 O ATOM 1439 CB ASN A 93 -10.214 -11.178 1.935 1.00 0.00 C ATOM 1440 CG ASN A 93 -10.883 -12.454 1.464 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -11.530 -12.479 0.416 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -10.732 -13.522 2.237 1.00 0.00 N ATOM 0 H ASN A 93 -11.048 -8.666 1.232 1.00 0.00 H new ATOM 0 HA ASN A 93 -12.022 -10.805 3.034 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -9.762 -10.672 1.082 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -9.406 -11.427 2.623 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -11.160 -14.409 1.971 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -10.187 -13.456 3.097 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.090 -9.612 4.966 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.529 -8.986 6.156 1.00 0.00 C ATOM 1451 C ARG A 94 -9.326 -9.777 6.659 1.00 0.00 C ATOM 1452 O ARG A 94 -8.425 -9.225 7.290 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.587 -8.888 7.256 1.00 0.00 C ATOM 1454 CG ARG A 94 -12.913 -8.319 6.777 1.00 0.00 C ATOM 1455 CD ARG A 94 -14.090 -9.008 7.447 1.00 0.00 C ATOM 1456 NE ARG A 94 -14.462 -8.360 8.703 1.00 0.00 N ATOM 1457 CZ ARG A 94 -15.441 -8.788 9.497 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -16.149 -9.862 9.169 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -15.713 -8.140 10.621 1.00 0.00 N ATOM 0 H ARG A 94 -11.959 -10.121 5.128 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.201 -7.980 5.892 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -11.757 -9.880 7.674 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.203 -8.263 8.063 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -12.948 -7.250 6.987 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -12.990 -8.434 5.696 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -14.945 -9.005 6.771 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -13.838 -10.051 7.638 1.00 0.00 H new ATOM 0 HE ARG A 94 -13.941 -7.531 8.988 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -15.944 -10.364 8.305 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -16.898 -10.186 9.781 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -15.172 -7.314 10.877 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -16.463 -8.467 11.230 1.00 0.00 H new ATOM 1473 N THR A 95 -9.317 -11.075 6.369 1.00 0.00 N ATOM 1474 CA THR A 95 -8.225 -11.945 6.783 1.00 0.00 C ATOM 1475 C THR A 95 -7.052 -11.829 5.812 1.00 0.00 C ATOM 1476 O THR A 95 -5.895 -11.752 6.225 1.00 0.00 O ATOM 1477 CB THR A 95 -8.718 -13.398 6.880 1.00 0.00 C ATOM 1478 OG1 THR A 95 -8.480 -13.920 8.174 1.00 0.00 O ATOM 1479 CG2 THR A 95 -8.076 -14.345 5.883 1.00 0.00 C ATOM 0 H THR A 95 -10.056 -11.547 5.848 1.00 0.00 H new ATOM 0 HA THR A 95 -7.877 -11.633 7.768 1.00 0.00 H new ATOM 0 HB THR A 95 -9.783 -13.342 6.653 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.802 -14.845 8.218 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.481 -15.348 6.021 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.288 -14.005 4.869 1.00 0.00 H new ATOM 0 HG23 THR A 95 -6.998 -14.364 6.042 1.00 0.00 H new ATOM 1487 N VAL A 96 -7.363 -11.817 4.520 1.00 0.00 N ATOM 1488 CA VAL A 96 -6.339 -11.709 3.490 1.00 0.00 C ATOM 1489 C VAL A 96 -5.551 -10.411 3.643 1.00 0.00 C ATOM 1490 O VAL A 96 -4.324 -10.398 3.539 1.00 0.00 O ATOM 1491 CB VAL A 96 -6.957 -11.790 2.069 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -7.357 -10.416 1.546 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -5.991 -12.470 1.111 1.00 0.00 C ATOM 0 H VAL A 96 -8.316 -11.881 4.162 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.659 -12.551 3.616 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.866 -12.388 2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -7.785 -10.517 0.549 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.095 -9.973 2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.477 -9.774 1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.438 -12.520 0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.064 -11.899 1.063 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.778 -13.479 1.464 1.00 0.00 H new ATOM 1503 N MET A 97 -6.271 -9.320 3.879 1.00 0.00 N ATOM 1504 CA MET A 97 -5.652 -8.007 4.036 1.00 0.00 C ATOM 1505 C MET A 97 -4.730 -7.948 5.252 1.00 0.00 C ATOM 1506 O MET A 97 -3.570 -7.551 5.146 1.00 0.00 O ATOM 1507 CB MET A 97 -6.727 -6.925 4.163 1.00 0.00 C ATOM 1508 CG MET A 97 -7.820 -7.245 5.180 1.00 0.00 C ATOM 1509 SD MET A 97 -7.598 -6.461 6.803 1.00 0.00 S ATOM 1510 CE MET A 97 -6.276 -5.285 6.513 1.00 0.00 C ATOM 0 H MET A 97 -7.287 -9.318 3.966 1.00 0.00 H new ATOM 0 HA MET A 97 -5.049 -7.830 3.146 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.250 -5.986 4.443 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.188 -6.770 3.187 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.781 -6.935 4.770 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.866 -8.325 5.317 1.00 0.00 H new ATOM 0 HE1 MET A 97 -6.032 -4.774 7.445 1.00 0.00 H new ATOM 0 HE2 MET A 97 -5.395 -5.811 6.147 1.00 0.00 H new ATOM 0 HE3 MET A 97 -6.596 -4.553 5.771 1.00 0.00 H new ATOM 1520 N ASP A 98 -5.265 -8.313 6.407 1.00 0.00 N ATOM 1521 CA ASP A 98 -4.508 -8.270 7.655 1.00 0.00 C ATOM 1522 C ASP A 98 -3.368 -9.284 7.676 1.00 0.00 C ATOM 1523 O ASP A 98 -2.376 -9.096 8.381 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.439 -8.514 8.844 1.00 0.00 C ATOM 1525 CG ASP A 98 -5.004 -7.757 10.083 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -5.342 -6.559 10.196 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -4.326 -8.361 10.941 1.00 0.00 O ATOM 0 H ASP A 98 -6.224 -8.644 6.509 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.066 -7.276 7.729 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.452 -8.215 8.576 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.469 -9.581 9.065 1.00 0.00 H new ATOM 1532 N ASN A 99 -3.511 -10.362 6.917 1.00 0.00 N ATOM 1533 CA ASN A 99 -2.484 -11.397 6.874 1.00 0.00 C ATOM 1534 C ASN A 99 -1.341 -11.009 5.944 1.00 0.00 C ATOM 1535 O ASN A 99 -0.183 -11.335 6.202 1.00 0.00 O ATOM 1536 CB ASN A 99 -3.091 -12.728 6.427 1.00 0.00 C ATOM 1537 CG ASN A 99 -3.713 -13.495 7.578 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -3.340 -14.635 7.853 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -4.668 -12.871 8.257 1.00 0.00 N ATOM 0 H ASN A 99 -4.322 -10.543 6.326 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.080 -11.505 7.880 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -3.849 -12.541 5.666 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -2.317 -13.339 5.962 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -5.124 -13.337 9.041 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -4.946 -11.925 7.994 1.00 0.00 H new ATOM 1546 N ILE A 100 -1.670 -10.321 4.858 1.00 0.00 N ATOM 1547 CA ILE A 100 -0.662 -9.905 3.893 1.00 0.00 C ATOM 1548 C ILE A 100 -0.035 -8.560 4.262 1.00 0.00 C ATOM 1549 O ILE A 100 1.068 -8.245 3.816 1.00 0.00 O ATOM 1550 CB ILE A 100 -1.245 -9.830 2.467 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -0.133 -9.563 1.448 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -2.323 -8.761 2.385 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -0.642 -9.115 0.095 1.00 0.00 C ATOM 0 H ILE A 100 -2.623 -10.041 4.625 1.00 0.00 H new ATOM 0 HA ILE A 100 0.119 -10.665 3.917 1.00 0.00 H new ATOM 0 HB ILE A 100 -1.703 -10.790 2.229 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.536 -8.800 1.845 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.458 -10.470 1.322 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.722 -8.724 1.371 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.126 -9.000 3.082 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.895 -7.792 2.643 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.202 -8.945 -0.573 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.288 -9.887 -0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.208 -8.190 0.207 1.00 0.00 H new ATOM 1565 N LYS A 101 -0.726 -7.764 5.079 1.00 0.00 N ATOM 1566 CA LYS A 101 -0.200 -6.469 5.481 1.00 0.00 C ATOM 1567 C LYS A 101 0.897 -6.637 6.522 1.00 0.00 C ATOM 1568 O LYS A 101 1.889 -5.910 6.521 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.321 -5.605 6.044 1.00 0.00 C ATOM 1570 CG LYS A 101 -1.948 -6.183 7.291 1.00 0.00 C ATOM 1571 CD LYS A 101 -1.401 -5.531 8.550 1.00 0.00 C ATOM 1572 CE LYS A 101 -2.530 -5.039 9.431 1.00 0.00 C ATOM 1573 NZ LYS A 101 -2.294 -5.347 10.869 1.00 0.00 N ATOM 0 H LYS A 101 -1.640 -7.994 5.469 1.00 0.00 H new ATOM 0 HA LYS A 101 0.225 -5.980 4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.929 -4.613 6.268 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.091 -5.479 5.283 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.029 -6.047 7.251 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.763 -7.257 7.327 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.789 -6.246 9.100 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -0.753 -4.697 8.281 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.644 -3.962 9.305 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.465 -5.498 9.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.870 -4.713 11.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.559 -6.334 11.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.288 -5.209 11.093 1.00 0.00 H new ATOM 1587 N MET A 102 0.706 -7.606 7.407 1.00 0.00 N ATOM 1588 CA MET A 102 1.675 -7.886 8.461 1.00 0.00 C ATOM 1589 C MET A 102 3.048 -8.170 7.864 1.00 0.00 C ATOM 1590 O MET A 102 4.065 -7.676 8.352 1.00 0.00 O ATOM 1591 CB MET A 102 1.214 -9.075 9.306 1.00 0.00 C ATOM 1592 CG MET A 102 1.487 -8.908 10.792 1.00 0.00 C ATOM 1593 SD MET A 102 2.002 -10.445 11.581 1.00 0.00 S ATOM 1594 CE MET A 102 0.776 -10.587 12.879 1.00 0.00 C ATOM 0 H MET A 102 -0.113 -8.214 7.417 1.00 0.00 H new ATOM 0 HA MET A 102 1.749 -7.007 9.101 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.145 -9.224 9.156 1.00 0.00 H new ATOM 0 HB3 MET A 102 1.714 -9.977 8.952 1.00 0.00 H new ATOM 0 HG2 MET A 102 2.262 -8.155 10.933 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.588 -8.536 11.283 1.00 0.00 H new ATOM 0 HE1 MET A 102 0.961 -11.492 13.457 1.00 0.00 H new ATOM 0 HE2 MET A 102 0.838 -9.719 13.535 1.00 0.00 H new ATOM 0 HE3 MET A 102 -0.219 -10.637 12.436 1.00 0.00 H new ATOM 1604 N THR A 103 3.068 -8.967 6.801 1.00 0.00 N ATOM 1605 CA THR A 103 4.316 -9.315 6.129 1.00 0.00 C ATOM 1606 C THR A 103 5.071 -8.060 5.701 1.00 0.00 C ATOM 1607 O THR A 103 6.295 -7.990 5.817 1.00 0.00 O ATOM 1608 CB THR A 103 4.035 -10.194 4.909 1.00 0.00 C ATOM 1609 OG1 THR A 103 3.313 -11.354 5.282 1.00 0.00 O ATOM 1610 CG2 THR A 103 5.292 -10.645 4.196 1.00 0.00 C ATOM 0 H THR A 103 2.235 -9.384 6.386 1.00 0.00 H new ATOM 0 HA THR A 103 4.936 -9.869 6.833 1.00 0.00 H new ATOM 0 HB THR A 103 3.454 -9.570 4.230 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.535 -11.457 4.696 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.023 -11.265 3.341 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.848 -9.773 3.852 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.912 -11.223 4.882 1.00 0.00 H new ATOM 1618 N LEU A 104 4.333 -7.072 5.205 1.00 0.00 N ATOM 1619 CA LEU A 104 4.932 -5.819 4.759 1.00 0.00 C ATOM 1620 C LEU A 104 5.181 -4.882 5.936 1.00 0.00 C ATOM 1621 O LEU A 104 6.210 -4.210 5.999 1.00 0.00 O ATOM 1622 CB LEU A 104 4.031 -5.133 3.729 1.00 0.00 C ATOM 1623 CG LEU A 104 3.841 -5.882 2.400 1.00 0.00 C ATOM 1624 CD1 LEU A 104 3.913 -4.913 1.228 1.00 0.00 C ATOM 1625 CD2 LEU A 104 4.875 -6.990 2.237 1.00 0.00 C ATOM 0 H LEU A 104 3.319 -7.115 5.102 1.00 0.00 H new ATOM 0 HA LEU A 104 5.890 -6.052 4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.051 -4.976 4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.444 -4.148 3.513 1.00 0.00 H new ATOM 0 HG LEU A 104 2.854 -6.343 2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.777 -5.460 0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.128 -4.163 1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.886 -4.421 1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.714 -7.501 1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 104 5.876 -6.559 2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.775 -7.704 3.055 1.00 0.00 H new ATOM 1637 N GLN A 105 4.231 -4.840 6.867 1.00 0.00 N ATOM 1638 CA GLN A 105 4.345 -3.984 8.045 1.00 0.00 C ATOM 1639 C GLN A 105 5.723 -4.116 8.683 1.00 0.00 C ATOM 1640 O GLN A 105 6.372 -3.119 9.000 1.00 0.00 O ATOM 1641 CB GLN A 105 3.265 -4.341 9.066 1.00 0.00 C ATOM 1642 CG GLN A 105 1.914 -3.710 8.771 1.00 0.00 C ATOM 1643 CD GLN A 105 0.962 -3.792 9.948 1.00 0.00 C ATOM 1644 OE1 GLN A 105 0.977 -4.761 10.707 1.00 0.00 O ATOM 1645 NE2 GLN A 105 0.128 -2.771 10.107 1.00 0.00 N ATOM 0 H GLN A 105 3.373 -5.390 6.828 1.00 0.00 H new ATOM 0 HA GLN A 105 4.209 -2.951 7.726 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.151 -5.425 9.098 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.595 -4.026 10.056 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.058 -2.665 8.497 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.465 -4.207 7.911 1.00 0.00 H new ATOM 0 HE21 GLN A 105 0.150 -1.988 9.454 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -0.535 -2.770 10.882 1.00 0.00 H new ATOM 1654 N GLN A 106 6.165 -5.355 8.862 1.00 0.00 N ATOM 1655 CA GLN A 106 7.468 -5.622 9.456 1.00 0.00 C ATOM 1656 C GLN A 106 8.588 -5.153 8.533 1.00 0.00 C ATOM 1657 O GLN A 106 9.592 -4.606 8.989 1.00 0.00 O ATOM 1658 CB GLN A 106 7.623 -7.115 9.748 1.00 0.00 C ATOM 1659 CG GLN A 106 6.613 -7.647 10.752 1.00 0.00 C ATOM 1660 CD GLN A 106 6.920 -9.065 11.192 1.00 0.00 C ATOM 1661 OE1 GLN A 106 7.948 -9.325 11.817 1.00 0.00 O ATOM 1662 NE2 GLN A 106 6.027 -9.992 10.866 1.00 0.00 N ATOM 0 H GLN A 106 5.640 -6.190 8.604 1.00 0.00 H new ATOM 0 HA GLN A 106 7.535 -5.069 10.393 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.524 -7.671 8.816 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.629 -7.301 10.124 1.00 0.00 H new ATOM 0 HG2 GLN A 106 6.596 -6.995 11.625 1.00 0.00 H new ATOM 0 HG3 GLN A 106 5.617 -7.615 10.311 1.00 0.00 H new ATOM 0 HE21 GLN A 106 5.188 -9.732 10.347 1.00 0.00 H new ATOM 0 HE22 GLN A 106 6.180 -10.964 11.135 1.00 0.00 H new ATOM 1671 N ILE A 107 8.410 -5.372 7.233 1.00 0.00 N ATOM 1672 CA ILE A 107 9.402 -4.977 6.250 1.00 0.00 C ATOM 1673 C ILE A 107 9.677 -3.479 6.310 1.00 0.00 C ATOM 1674 O ILE A 107 10.807 -3.063 6.549 1.00 0.00 O ATOM 1675 CB ILE A 107 8.959 -5.399 4.827 1.00 0.00 C ATOM 1676 CG1 ILE A 107 9.769 -6.610 4.387 1.00 0.00 C ATOM 1677 CG2 ILE A 107 9.105 -4.266 3.819 1.00 0.00 C ATOM 1678 CD1 ILE A 107 9.243 -7.269 3.129 1.00 0.00 C ATOM 0 H ILE A 107 7.584 -5.823 6.840 1.00 0.00 H new ATOM 0 HA ILE A 107 10.332 -5.493 6.488 1.00 0.00 H new ATOM 0 HB ILE A 107 7.900 -5.654 4.864 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.802 -6.305 4.222 1.00 0.00 H new ATOM 0 HG13 ILE A 107 9.778 -7.343 5.194 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.782 -4.610 2.836 1.00 0.00 H new ATOM 0 HG22 ILE A 107 8.489 -3.422 4.129 1.00 0.00 H new ATOM 0 HG23 ILE A 107 10.148 -3.955 3.770 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.870 -8.124 2.877 1.00 0.00 H new ATOM 0 HD12 ILE A 107 8.220 -7.606 3.295 1.00 0.00 H new ATOM 0 HD13 ILE A 107 9.260 -6.552 2.308 1.00 0.00 H new ATOM 1690 N ILE A 108 8.648 -2.667 6.097 1.00 0.00 N ATOM 1691 CA ILE A 108 8.820 -1.219 6.138 1.00 0.00 C ATOM 1692 C ILE A 108 9.496 -0.799 7.433 1.00 0.00 C ATOM 1693 O ILE A 108 10.207 0.202 7.482 1.00 0.00 O ATOM 1694 CB ILE A 108 7.486 -0.459 6.013 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.571 -1.115 4.977 1.00 0.00 C ATOM 1696 CG2 ILE A 108 7.750 0.994 5.648 1.00 0.00 C ATOM 1697 CD1 ILE A 108 7.226 -1.333 3.629 1.00 0.00 C ATOM 0 H ILE A 108 7.698 -2.980 5.897 1.00 0.00 H new ATOM 0 HA ILE A 108 9.442 -0.962 5.281 1.00 0.00 H new ATOM 0 HB ILE A 108 6.977 -0.497 6.976 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.231 -2.075 5.364 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.686 -0.493 4.843 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.802 1.525 5.561 1.00 0.00 H new ATOM 0 HG22 ILE A 108 8.357 1.460 6.424 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.280 1.040 4.697 1.00 0.00 H new ATOM 0 HD11 ILE A 108 6.514 -1.802 2.950 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.542 -0.374 3.218 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.095 -1.981 3.747 1.00 0.00 H new ATOM 1709 N SER A 109 9.269 -1.580 8.476 1.00 0.00 N ATOM 1710 CA SER A 109 9.851 -1.307 9.780 1.00 0.00 C ATOM 1711 C SER A 109 11.336 -1.663 9.798 1.00 0.00 C ATOM 1712 O SER A 109 12.104 -1.129 10.596 1.00 0.00 O ATOM 1713 CB SER A 109 9.106 -2.093 10.858 1.00 0.00 C ATOM 1714 OG SER A 109 9.476 -1.661 12.156 1.00 0.00 O ATOM 0 H SER A 109 8.682 -2.413 8.444 1.00 0.00 H new ATOM 0 HA SER A 109 9.755 -0.241 9.985 1.00 0.00 H new ATOM 0 HB2 SER A 109 8.031 -1.970 10.724 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.321 -3.156 10.751 1.00 0.00 H new ATOM 0 HG SER A 109 8.983 -2.179 12.826 1.00 0.00 H new ATOM 1720 N ARG A 110 11.738 -2.564 8.908 1.00 0.00 N ATOM 1721 CA ARG A 110 13.133 -2.972 8.825 1.00 0.00 C ATOM 1722 C ARG A 110 13.835 -2.228 7.693 1.00 0.00 C ATOM 1723 O ARG A 110 14.991 -1.826 7.825 1.00 0.00 O ATOM 1724 CB ARG A 110 13.241 -4.493 8.632 1.00 0.00 C ATOM 1725 CG ARG A 110 13.256 -4.945 7.178 1.00 0.00 C ATOM 1726 CD ARG A 110 12.839 -6.401 7.043 1.00 0.00 C ATOM 1727 NE ARG A 110 13.990 -7.301 7.031 1.00 0.00 N ATOM 1728 CZ ARG A 110 13.944 -8.556 6.590 1.00 0.00 C ATOM 1729 NH1 ARG A 110 12.809 -9.063 6.125 1.00 0.00 N ATOM 1730 NH2 ARG A 110 15.037 -9.306 6.613 1.00 0.00 N ATOM 0 H ARG A 110 11.121 -3.023 8.238 1.00 0.00 H new ATOM 0 HA ARG A 110 13.628 -2.716 9.762 1.00 0.00 H new ATOM 0 HB2 ARG A 110 14.151 -4.845 9.118 1.00 0.00 H new ATOM 0 HB3 ARG A 110 12.403 -4.971 9.140 1.00 0.00 H new ATOM 0 HG2 ARG A 110 12.583 -4.317 6.594 1.00 0.00 H new ATOM 0 HG3 ARG A 110 14.256 -4.812 6.765 1.00 0.00 H new ATOM 0 HD2 ARG A 110 12.179 -6.667 7.869 1.00 0.00 H new ATOM 0 HD3 ARG A 110 12.268 -6.531 6.124 1.00 0.00 H new ATOM 0 HE ARG A 110 14.880 -6.947 7.381 1.00 0.00 H new ATOM 0 HH11 ARG A 110 11.965 -8.490 6.104 1.00 0.00 H new ATOM 0 HH12 ARG A 110 12.780 -10.025 5.788 1.00 0.00 H new ATOM 0 HH21 ARG A 110 15.912 -8.921 6.968 1.00 0.00 H new ATOM 0 HH22 ARG A 110 15.003 -10.268 6.275 1.00 0.00 H new ATOM 1744 N TYR A 111 13.128 -2.045 6.581 1.00 0.00 N ATOM 1745 CA TYR A 111 13.687 -1.346 5.432 1.00 0.00 C ATOM 1746 C TYR A 111 13.838 0.145 5.714 1.00 0.00 C ATOM 1747 O TYR A 111 14.752 0.792 5.204 1.00 0.00 O ATOM 1748 CB TYR A 111 12.807 -1.560 4.198 1.00 0.00 C ATOM 1749 CG TYR A 111 13.173 -2.784 3.382 1.00 0.00 C ATOM 1750 CD1 TYR A 111 13.962 -3.797 3.916 1.00 0.00 C ATOM 1751 CD2 TYR A 111 12.726 -2.923 2.074 1.00 0.00 C ATOM 1752 CE1 TYR A 111 14.294 -4.912 3.169 1.00 0.00 C ATOM 1753 CE2 TYR A 111 13.053 -4.035 1.322 1.00 0.00 C ATOM 1754 CZ TYR A 111 13.837 -5.026 1.873 1.00 0.00 C ATOM 1755 OH TYR A 111 14.166 -6.134 1.127 1.00 0.00 O ATOM 0 H TYR A 111 12.170 -2.371 6.453 1.00 0.00 H new ATOM 0 HA TYR A 111 14.677 -1.758 5.239 1.00 0.00 H new ATOM 0 HB2 TYR A 111 11.768 -1.646 4.516 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.873 -0.678 3.560 1.00 0.00 H new ATOM 0 HD1 TYR A 111 14.321 -3.711 4.931 1.00 0.00 H new ATOM 0 HD2 TYR A 111 12.112 -2.149 1.638 1.00 0.00 H new ATOM 0 HE1 TYR A 111 14.908 -5.690 3.598 1.00 0.00 H new ATOM 0 HE2 TYR A 111 12.696 -4.127 0.307 1.00 0.00 H new ATOM 0 HH TYR A 111 14.281 -6.905 1.720 1.00 0.00 H new ATOM 1765 N LYS A 112 12.942 0.683 6.531 1.00 0.00 N ATOM 1766 CA LYS A 112 12.980 2.097 6.885 1.00 0.00 C ATOM 1767 C LYS A 112 14.310 2.455 7.539 1.00 0.00 C ATOM 1768 O LYS A 112 14.988 3.396 7.127 1.00 0.00 O ATOM 1769 CB LYS A 112 11.838 2.420 7.842 1.00 0.00 C ATOM 1770 CG LYS A 112 10.555 2.845 7.151 1.00 0.00 C ATOM 1771 CD LYS A 112 10.381 4.354 7.182 1.00 0.00 C ATOM 1772 CE LYS A 112 10.316 4.877 8.608 1.00 0.00 C ATOM 1773 NZ LYS A 112 8.966 5.408 8.945 1.00 0.00 N ATOM 0 H LYS A 112 12.179 0.161 6.962 1.00 0.00 H new ATOM 0 HA LYS A 112 12.871 2.683 5.973 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.634 1.544 8.457 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.156 3.215 8.516 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.565 2.500 6.117 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.703 2.369 7.637 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.210 4.828 6.657 1.00 0.00 H new ATOM 0 HD3 LYS A 112 9.469 4.627 6.651 1.00 0.00 H new ATOM 0 HE2 LYS A 112 10.574 4.076 9.300 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.059 5.664 8.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.964 5.755 9.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 8.730 6.190 8.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.260 4.651 8.844 1.00 0.00 H new ATOM 1969 N ASP B 70 -11.964 3.816 5.816 1.00 0.00 N ATOM 1970 CA ASP B 70 -11.768 4.806 6.871 1.00 0.00 C ATOM 1971 C ASP B 70 -11.322 4.157 8.185 1.00 0.00 C ATOM 1972 O ASP B 70 -11.864 4.455 9.250 1.00 0.00 O ATOM 1973 CB ASP B 70 -13.060 5.597 7.088 1.00 0.00 C ATOM 1974 CG ASP B 70 -12.800 7.065 7.363 1.00 0.00 C ATOM 1975 OD1 ASP B 70 -11.757 7.379 7.974 1.00 0.00 O ATOM 1976 OD2 ASP B 70 -13.639 7.901 6.968 1.00 0.00 O ATOM 0 HA ASP B 70 -10.974 5.481 6.551 1.00 0.00 H new ATOM 0 HB2 ASP B 70 -13.693 5.502 6.206 1.00 0.00 H new ATOM 0 HB3 ASP B 70 -13.611 5.166 7.924 1.00 0.00 H new ATOM 1981 N ALA B 71 -10.322 3.282 8.106 1.00 0.00 N ATOM 1982 CA ALA B 71 -9.792 2.606 9.290 1.00 0.00 C ATOM 1983 C ALA B 71 -8.429 1.986 8.992 1.00 0.00 C ATOM 1984 O ALA B 71 -8.197 0.813 9.274 1.00 0.00 O ATOM 1985 CB ALA B 71 -10.769 1.542 9.795 1.00 0.00 C ATOM 0 H ALA B 71 -9.861 3.024 7.234 1.00 0.00 H new ATOM 0 HA ALA B 71 -9.666 3.351 10.076 1.00 0.00 H new ATOM 0 HB1 ALA B 71 -10.352 1.054 10.676 1.00 0.00 H new ATOM 0 HB2 ALA B 71 -11.717 2.013 10.056 1.00 0.00 H new ATOM 0 HB3 ALA B 71 -10.935 0.800 9.014 1.00 0.00 H new ATOM 1991 N THR B 72 -7.529 2.781 8.412 1.00 0.00 N ATOM 1992 CA THR B 72 -6.189 2.298 8.073 1.00 0.00 C ATOM 1993 C THR B 72 -5.104 3.333 8.367 1.00 0.00 C ATOM 1994 O THR B 72 -3.929 2.984 8.483 1.00 0.00 O ATOM 1995 CB THR B 72 -6.120 1.903 6.603 1.00 0.00 C ATOM 1996 OG1 THR B 72 -7.099 2.593 5.853 1.00 0.00 O ATOM 1997 CG2 THR B 72 -6.312 0.422 6.372 1.00 0.00 C ATOM 0 H THR B 72 -7.701 3.756 8.168 1.00 0.00 H new ATOM 0 HA THR B 72 -6.003 1.428 8.702 1.00 0.00 H new ATOM 0 HB THR B 72 -5.116 2.173 6.277 1.00 0.00 H new ATOM 0 HG1 THR B 72 -6.740 3.458 5.564 1.00 0.00 H new ATOM 0 HG21 THR B 72 -6.251 0.209 5.305 1.00 0.00 H new ATOM 0 HG22 THR B 72 -5.534 -0.132 6.897 1.00 0.00 H new ATOM 0 HG23 THR B 72 -7.289 0.119 6.747 1.00 0.00 H new ATOM 2005 N TRP B 73 -5.484 4.601 8.478 1.00 0.00 N ATOM 2006 CA TRP B 73 -4.510 5.656 8.747 1.00 0.00 C ATOM 2007 C TRP B 73 -4.366 5.935 10.244 1.00 0.00 C ATOM 2008 O TRP B 73 -3.745 6.923 10.633 1.00 0.00 O ATOM 2009 CB TRP B 73 -4.886 6.959 8.029 1.00 0.00 C ATOM 2010 CG TRP B 73 -5.737 6.783 6.805 1.00 0.00 C ATOM 2011 CD1 TRP B 73 -6.739 7.608 6.394 1.00 0.00 C ATOM 2012 CD2 TRP B 73 -5.660 5.735 5.833 1.00 0.00 C ATOM 2013 NE1 TRP B 73 -7.292 7.141 5.229 1.00 0.00 N ATOM 2014 CE2 TRP B 73 -6.646 5.991 4.865 1.00 0.00 C ATOM 2015 CE3 TRP B 73 -4.857 4.608 5.688 1.00 0.00 C ATOM 2016 CZ2 TRP B 73 -6.845 5.159 3.769 1.00 0.00 C ATOM 2017 CZ3 TRP B 73 -5.055 3.780 4.601 1.00 0.00 C ATOM 2018 CH2 TRP B 73 -6.039 4.058 3.655 1.00 0.00 C ATOM 0 H TRP B 73 -6.448 4.923 8.387 1.00 0.00 H new ATOM 0 HA TRP B 73 -3.555 5.295 8.365 1.00 0.00 H new ATOM 0 HB2 TRP B 73 -5.414 7.604 8.731 1.00 0.00 H new ATOM 0 HB3 TRP B 73 -3.970 7.478 7.746 1.00 0.00 H new ATOM 0 HD1 TRP B 73 -7.053 8.502 6.911 1.00 0.00 H new ATOM 0 HE1 TRP B 73 -8.059 7.579 4.718 1.00 0.00 H new ATOM 0 HE3 TRP B 73 -4.090 4.384 6.415 1.00 0.00 H new ATOM 0 HZ2 TRP B 73 -7.607 5.373 3.035 1.00 0.00 H new ATOM 0 HZ3 TRP B 73 -4.437 2.902 4.482 1.00 0.00 H new ATOM 0 HH2 TRP B 73 -6.169 3.392 2.815 1.00 0.00 H new ATOM 2029 N ASP B 74 -4.938 5.075 11.084 1.00 0.00 N ATOM 2030 CA ASP B 74 -4.852 5.270 12.530 1.00 0.00 C ATOM 2031 C ASP B 74 -4.336 4.023 13.246 1.00 0.00 C ATOM 2032 O ASP B 74 -4.443 3.910 14.467 1.00 0.00 O ATOM 2033 CB ASP B 74 -6.217 5.669 13.095 1.00 0.00 C ATOM 2034 CG ASP B 74 -6.102 6.648 14.247 1.00 0.00 C ATOM 2035 OD1 ASP B 74 -5.953 6.192 15.400 1.00 0.00 O ATOM 2036 OD2 ASP B 74 -6.162 7.870 13.996 1.00 0.00 O ATOM 0 H ASP B 74 -5.459 4.247 10.794 1.00 0.00 H new ATOM 0 HA ASP B 74 -4.137 6.073 12.707 1.00 0.00 H new ATOM 0 HB2 ASP B 74 -6.819 6.114 12.303 1.00 0.00 H new ATOM 0 HB3 ASP B 74 -6.743 4.776 13.432 1.00 0.00 H new ATOM 2041 N LEU B 75 -3.754 3.103 12.487 1.00 0.00 N ATOM 2042 CA LEU B 75 -3.196 1.881 13.056 1.00 0.00 C ATOM 2043 C LEU B 75 -1.771 1.675 12.571 1.00 0.00 C ATOM 2044 O LEU B 75 -1.119 0.691 12.920 1.00 0.00 O ATOM 2045 CB LEU B 75 -4.051 0.654 12.717 1.00 0.00 C ATOM 2046 CG LEU B 75 -4.566 0.568 11.277 1.00 0.00 C ATOM 2047 CD1 LEU B 75 -5.490 1.729 10.971 1.00 0.00 C ATOM 2048 CD2 LEU B 75 -3.413 0.542 10.288 1.00 0.00 C ATOM 0 H LEU B 75 -3.656 3.179 11.475 1.00 0.00 H new ATOM 0 HA LEU B 75 -3.194 1.995 14.140 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -3.465 -0.241 12.926 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -4.909 0.637 13.390 1.00 0.00 H new ATOM 0 HG LEU B 75 -5.126 -0.362 11.176 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -5.845 1.650 9.944 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -6.341 1.706 11.652 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -4.950 2.667 11.097 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -3.806 0.481 9.273 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -2.822 1.452 10.394 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -2.783 -0.325 10.486 1.00 0.00 H new