USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 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 6 LYS NZ :NH3+ 164:sc= 1.2 (180deg=0) USER MOD Set 1.2: A 12 THR OG1 : rot 142:sc= 1.09 USER MOD Single : A 1 MET CE :methyl -175:sc= -0.082 (180deg=-0.123) USER MOD Single : A 1 MET N :NH3+ 172:sc= 2.37 (180deg=2.1) USER MOD Single : A 2 GLN : amide:sc= -0.0753 K(o=-0.075,f=-1.9!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.328 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= 1.11 (180deg=0.461) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00861 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.025 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= 1.26 (180deg=1.2) USER MOD Single : A 29 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.23) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.43) USER MOD Single : A 41 GLN : amide:sc= 1.04 K(o=1,f=-1.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.247 K(o=-0.25,f=-4.5!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -74:sc= 0.192 USER MOD Single : A 60 ASN : amide:sc= -0.02 X(o=-0.02,f=0) USER MOD Single : A 62 GLN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 70:sc= 1.34 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.377 K(o=0.38,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.649 -6.615 -4.109 1.00 9.67 N ATOM 2 CA MET A 1 11.522 -7.119 -2.699 1.00 10.38 C ATOM 3 C MET A 1 10.186 -7.645 -2.369 1.00 9.62 C ATOM 4 O MET A 1 9.167 -7.305 -2.975 1.00 9.62 O ATOM 5 CB MET A 1 12.135 -6.043 -1.675 1.00 13.77 C ATOM 6 CG MET A 1 11.294 -4.776 -1.706 1.00 16.29 C ATOM 7 SD MET A 1 11.870 -3.394 -0.603 1.00 17.17 S ATOM 8 CE MET A 1 10.591 -2.315 -1.308 1.00 16.11 C ATOM 0 H1 MET A 1 12.567 -6.140 -4.226 1.00 9.67 H new ATOM 0 H2 MET A 1 11.586 -7.415 -4.771 1.00 9.67 H new ATOM 0 H3 MET A 1 10.882 -5.941 -4.307 1.00 9.67 H new ATOM 0 HA MET A 1 12.132 -8.016 -2.592 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.154 -6.455 -0.666 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.166 -5.814 -1.945 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.263 -4.408 -2.732 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.272 -5.034 -1.429 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.704 -1.307 -0.908 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.694 -2.289 -2.393 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.605 -2.700 -1.047 1.00 16.11 H new ATOM 20 N GLN A 2 10.133 -8.416 -1.321 1.00 9.27 N ATOM 21 CA GLN A 2 8.881 -8.711 -0.606 1.00 9.07 C ATOM 22 C GLN A 2 8.390 -7.538 0.197 1.00 8.72 C ATOM 23 O GLN A 2 9.110 -6.863 0.933 1.00 8.22 O ATOM 24 CB GLN A 2 9.106 -9.794 0.426 1.00 14.46 C ATOM 25 CG GLN A 2 9.196 -11.166 -0.198 1.00 17.01 C ATOM 26 CD GLN A 2 9.350 -12.267 0.902 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.797 -12.029 2.030 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.985 -13.514 0.543 1.00 19.49 N ATOM 0 H GLN A 2 10.953 -8.871 -0.919 1.00 9.27 H new ATOM 0 HA GLN A 2 8.167 -8.992 -1.381 1.00 9.07 H new ATOM 0 HB2 GLN A 2 10.024 -9.585 0.975 1.00 14.46 H new ATOM 0 HB3 GLN A 2 8.291 -9.779 1.150 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.302 -11.360 -0.791 1.00 17.01 H new ATOM 0 HG3 GLN A 2 10.045 -11.205 -0.880 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.619 -13.689 -0.393 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.075 -14.283 1.207 1.00 19.49 H new ATOM 37 N ILE A 3 7.091 -7.312 0.183 1.00 5.87 N ATOM 38 CA ILE A 3 6.357 -6.613 1.169 1.00 5.07 C ATOM 39 C ILE A 3 5.088 -7.477 1.377 1.00 4.01 C ATOM 40 O ILE A 3 4.750 -8.345 0.570 1.00 4.61 O ATOM 41 CB ILE A 3 6.086 -5.141 0.976 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.288 -4.818 -0.246 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.488 -4.475 1.040 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.868 -3.391 -0.414 1.00 10.83 C ATOM 0 H ILE A 3 6.498 -7.643 -0.578 1.00 5.87 H new ATOM 0 HA ILE A 3 6.976 -6.514 2.061 1.00 5.07 H new ATOM 0 HB ILE A 3 5.430 -4.746 1.752 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.872 -5.107 -1.120 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.392 -5.439 -0.242 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.385 -3.398 0.908 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.944 -4.680 2.008 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.119 -4.879 0.248 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.297 -3.286 -1.336 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.249 -3.092 0.432 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.752 -2.755 -0.460 1.00 10.83 H new ATOM 56 N PHE A 4 4.498 -7.172 2.505 1.00 4.55 N ATOM 57 CA PHE A 4 3.255 -7.600 2.945 1.00 4.68 C ATOM 58 C PHE A 4 2.275 -6.462 3.072 1.00 5.30 C ATOM 59 O PHE A 4 2.548 -5.455 3.724 1.00 5.58 O ATOM 60 CB PHE A 4 3.467 -8.291 4.324 1.00 4.83 C ATOM 61 CG PHE A 4 4.594 -9.349 4.335 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.340 -10.614 3.687 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.840 -9.165 4.920 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.318 -11.565 3.547 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.879 -10.135 4.835 1.00 10.61 C ATOM 66 CZ PHE A 4 6.562 -11.249 4.054 1.00 8.90 C ATOM 0 H PHE A 4 4.946 -6.555 3.183 1.00 4.55 H new ATOM 0 HA PHE A 4 2.829 -8.291 2.218 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.693 -7.528 5.069 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.534 -8.767 4.627 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.352 -10.817 3.302 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.029 -8.250 5.461 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.125 -12.512 3.065 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.831 -10.019 5.332 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.369 -11.929 3.825 1.00 8.90 H new ATOM 76 N VAL A 5 1.062 -6.684 2.505 1.00 4.44 N ATOM 77 CA VAL A 5 -0.113 -5.793 2.613 1.00 3.87 C ATOM 78 C VAL A 5 -1.087 -6.511 3.582 1.00 4.93 C ATOM 79 O VAL A 5 -1.519 -7.590 3.271 1.00 6.84 O ATOM 80 CB VAL A 5 -0.708 -5.503 1.216 1.00 2.99 C ATOM 81 CG1 VAL A 5 -2.102 -4.794 1.414 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.211 -4.598 0.286 1.00 9.13 C ATOM 0 H VAL A 5 0.873 -7.514 1.944 1.00 4.44 H new ATOM 0 HA VAL A 5 0.132 -4.807 3.008 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.799 -6.461 0.704 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.542 -4.579 0.440 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.767 -5.450 1.976 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.962 -3.863 1.963 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.282 -4.444 -0.674 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.378 -3.634 0.767 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.168 -5.094 0.127 1.00 9.13 H new ATOM 92 N LYS A 6 -1.460 -5.762 4.675 1.00 6.04 N ATOM 93 CA LYS A 6 -2.121 -6.307 5.825 1.00 6.12 C ATOM 94 C LYS A 6 -3.420 -5.526 5.940 1.00 6.57 C ATOM 95 O LYS A 6 -3.430 -4.277 5.863 1.00 5.76 O ATOM 96 CB LYS A 6 -1.359 -6.120 7.085 1.00 7.45 C ATOM 97 CG LYS A 6 -1.845 -6.850 8.388 1.00 11.12 C ATOM 98 CD LYS A 6 -1.539 -8.310 8.427 1.00 14.54 C ATOM 99 CE LYS A 6 -0.088 -8.618 8.953 1.00 18.84 C ATOM 100 NZ LYS A 6 0.216 -10.059 8.919 1.00 20.55 N ATOM 0 H LYS A 6 -1.290 -4.758 4.743 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.247 -7.382 5.696 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.332 -6.433 6.897 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.333 -5.051 7.298 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.384 -6.371 9.252 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.922 -6.714 8.486 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.266 -8.811 9.066 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.653 -8.727 7.426 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.640 -8.079 8.346 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.013 -8.250 9.974 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.243 -10.199 9.008 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.268 -10.535 9.707 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.111 -10.462 8.018 1.00 20.55 H new ATOM 114 N THR A 7 -4.551 -6.211 6.030 1.00 7.41 N ATOM 115 CA THR A 7 -5.884 -5.544 5.799 1.00 7.48 C ATOM 116 C THR A 7 -6.539 -5.415 7.193 1.00 8.75 C ATOM 117 O THR A 7 -6.156 -6.002 8.197 1.00 8.58 O ATOM 118 CB THR A 7 -6.864 -6.202 4.846 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.227 -7.472 5.388 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.241 -6.433 3.446 1.00 9.17 C ATOM 0 H THR A 7 -4.604 -7.205 6.254 1.00 7.41 H new ATOM 0 HA THR A 7 -5.663 -4.604 5.293 1.00 7.48 H new ATOM 0 HB THR A 7 -7.726 -5.545 4.733 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.862 -7.914 4.787 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.976 -6.906 2.794 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.940 -5.476 3.019 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.368 -7.080 3.538 1.00 9.17 H new ATOM 128 N LEU A 8 -7.661 -4.659 7.271 1.00 9.84 N ATOM 129 CA LEU A 8 -8.469 -4.435 8.504 1.00 14.15 C ATOM 130 C LEU A 8 -8.968 -5.701 9.256 1.00 17.37 C ATOM 131 O LEU A 8 -8.980 -5.723 10.482 1.00 17.01 O ATOM 132 CB LEU A 8 -9.701 -3.599 8.298 1.00 16.63 C ATOM 133 CG LEU A 8 -9.480 -2.155 8.017 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.849 -1.454 7.753 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.821 -1.377 9.153 1.00 18.59 C ATOM 0 H LEU A 8 -8.043 -4.174 6.459 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.718 -3.923 9.106 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.269 -4.025 7.471 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.324 -3.683 9.189 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.811 -2.142 7.157 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.683 -0.397 7.548 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.336 -1.918 6.895 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.486 -1.557 8.631 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.700 -0.335 8.858 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.448 -1.432 10.043 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.844 -1.808 9.370 1.00 18.59 H new ATOM 147 N THR A 9 -9.364 -6.766 8.521 1.00 18.33 N ATOM 148 CA THR A 9 -9.690 -8.048 9.066 1.00 19.24 C ATOM 149 C THR A 9 -8.498 -9.044 9.089 1.00 19.48 C ATOM 150 O THR A 9 -8.606 -10.143 9.641 1.00 23.14 O ATOM 151 CB THR A 9 -10.946 -8.679 8.379 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.747 -8.758 6.992 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.132 -7.743 8.670 1.00 19.70 C ATOM 0 H THR A 9 -9.459 -6.727 7.506 1.00 18.33 H new ATOM 0 HA THR A 9 -9.939 -7.856 10.110 1.00 19.24 H new ATOM 0 HB THR A 9 -11.129 -9.685 8.758 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.537 -9.156 6.570 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.034 -8.144 8.208 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.279 -7.666 9.747 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.924 -6.754 8.261 1.00 19.70 H new ATOM 161 N GLY A 10 -7.343 -8.551 8.585 1.00 19.43 N ATOM 162 CA GLY A 10 -6.069 -9.135 9.025 1.00 18.74 C ATOM 163 C GLY A 10 -5.502 -9.933 7.925 1.00 17.62 C ATOM 164 O GLY A 10 -4.590 -10.707 8.149 1.00 19.74 O ATOM 0 H GLY A 10 -7.271 -7.790 7.909 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.374 -8.347 9.316 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.225 -9.762 9.903 1.00 18.74 H new ATOM 168 N LYS A 11 -6.039 -9.859 6.664 1.00 13.56 N ATOM 169 CA LYS A 11 -5.456 -10.737 5.661 1.00 11.91 C ATOM 170 C LYS A 11 -4.084 -10.234 5.296 1.00 10.18 C ATOM 171 O LYS A 11 -3.780 -9.054 5.412 1.00 9.10 O ATOM 172 CB LYS A 11 -6.381 -10.721 4.375 1.00 13.43 C ATOM 173 CG LYS A 11 -5.880 -11.487 3.153 1.00 16.69 C ATOM 174 CD LYS A 11 -6.861 -11.550 1.990 1.00 17.92 C ATOM 175 CE LYS A 11 -6.439 -12.617 0.967 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.370 -12.604 -0.110 1.00 21.93 N ATOM 0 H LYS A 11 -6.802 -9.253 6.361 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.377 -11.752 6.052 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.355 -11.125 4.653 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.538 -9.683 4.083 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.956 -11.024 2.806 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.632 -12.504 3.456 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.860 -11.776 2.364 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.916 -10.576 1.503 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.433 -12.413 0.600 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.415 -13.601 1.435 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.960 -13.096 -0.929 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.244 -13.086 0.181 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.587 -11.621 -0.369 1.00 21.93 H new ATOM 190 N THR A 12 -3.235 -11.157 4.858 1.00 9.63 N ATOM 191 CA THR A 12 -1.871 -10.770 4.568 1.00 9.85 C ATOM 192 C THR A 12 -1.580 -11.158 3.143 1.00 11.66 C ATOM 193 O THR A 12 -1.728 -12.350 2.842 1.00 12.33 O ATOM 194 CB THR A 12 -0.883 -11.428 5.457 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.173 -11.180 6.802 1.00 10.91 O ATOM 196 CG2 THR A 12 0.562 -10.810 5.245 1.00 9.63 C ATOM 0 H THR A 12 -3.459 -12.140 4.702 1.00 9.63 H new ATOM 0 HA THR A 12 -1.779 -9.696 4.731 1.00 9.85 H new ATOM 0 HB THR A 12 -0.922 -12.490 5.216 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.989 -11.985 7.330 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.271 -11.307 5.907 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.871 -10.953 4.209 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.539 -9.744 5.473 1.00 9.63 H new ATOM 204 N ILE A 13 -1.172 -10.251 2.238 1.00 10.42 N ATOM 205 CA ILE A 13 -0.942 -10.507 0.840 1.00 11.84 C ATOM 206 C ILE A 13 0.475 -10.290 0.574 1.00 10.55 C ATOM 207 O ILE A 13 1.023 -9.213 0.849 1.00 11.92 O ATOM 208 CB ILE A 13 -1.779 -9.640 -0.102 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.259 -9.917 0.158 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.457 -9.742 -1.633 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.834 -8.917 1.118 1.00 16.46 C ATOM 0 H ILE A 13 -0.991 -9.280 2.492 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.247 -11.535 0.641 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.506 -8.613 0.139 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.810 -9.882 -0.782 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.379 -10.923 0.560 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.120 -9.079 -2.189 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.421 -9.450 -1.807 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -1.606 -10.768 -1.969 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.888 -9.138 1.285 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.297 -8.972 2.065 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.735 -7.914 0.702 1.00 16.46 H new ATOM 223 N THR A 14 1.145 -11.300 0.117 1.00 9.39 N ATOM 224 CA THR A 14 2.578 -11.174 -0.139 1.00 9.63 C ATOM 225 C THR A 14 2.741 -10.599 -1.523 1.00 11.20 C ATOM 226 O THR A 14 2.173 -11.029 -2.505 1.00 11.63 O ATOM 227 CB THR A 14 3.289 -12.532 -0.031 1.00 10.38 C ATOM 228 OG1 THR A 14 3.032 -13.138 1.208 1.00 16.30 O ATOM 229 CG2 THR A 14 4.810 -12.407 -0.185 1.00 11.66 C ATOM 0 H THR A 14 0.747 -12.216 -0.090 1.00 9.39 H new ATOM 0 HA THR A 14 3.032 -10.522 0.607 1.00 9.63 H new ATOM 0 HB THR A 14 2.894 -13.141 -0.844 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.494 -14.001 1.252 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.266 -13.393 -0.101 1.00 11.66 H new ATOM 0 HG22 THR A 14 5.043 -11.981 -1.161 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.203 -11.758 0.597 1.00 11.66 H new ATOM 237 N LEU A 15 3.641 -9.542 -1.693 1.00 8.29 N ATOM 238 CA LEU A 15 3.854 -8.834 -2.935 1.00 9.03 C ATOM 239 C LEU A 15 5.272 -8.878 -3.367 1.00 8.59 C ATOM 240 O LEU A 15 6.153 -9.156 -2.564 1.00 7.79 O ATOM 241 CB LEU A 15 3.364 -7.357 -2.748 1.00 11.08 C ATOM 242 CG LEU A 15 1.881 -7.222 -2.454 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.633 -5.730 -2.456 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.979 -7.773 -3.528 1.00 15.27 C ATOM 0 H LEU A 15 4.222 -9.192 -0.931 1.00 8.29 H new ATOM 0 HA LEU A 15 3.283 -9.321 -3.726 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.927 -6.901 -1.934 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.596 -6.793 -3.651 1.00 11.08 H new ATOM 0 HG LEU A 15 1.663 -7.762 -1.532 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.580 -5.536 -2.251 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.246 -5.258 -1.688 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.894 -5.319 -3.431 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.062 -7.635 -3.235 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.165 -7.248 -4.465 1.00 15.27 H new ATOM 0 HD23 LEU A 15 1.180 -8.836 -3.662 1.00 15.27 H new ATOM 256 N GLU A 16 5.558 -8.660 -4.699 1.00 11.04 N ATOM 257 CA GLU A 16 6.829 -8.347 -5.219 1.00 11.50 C ATOM 258 C GLU A 16 6.732 -6.930 -5.652 1.00 10.13 C ATOM 259 O GLU A 16 5.906 -6.545 -6.525 1.00 9.83 O ATOM 260 CB GLU A 16 7.286 -9.236 -6.418 1.00 17.22 C ATOM 261 CG GLU A 16 8.714 -8.847 -6.904 1.00 23.33 C ATOM 262 CD GLU A 16 9.821 -9.086 -5.826 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.738 -10.135 -5.115 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.811 -8.393 -5.832 1.00 28.90 O ATOM 0 H GLU A 16 4.840 -8.713 -5.422 1.00 11.04 H new ATOM 0 HA GLU A 16 7.580 -8.528 -4.450 1.00 11.50 H new ATOM 0 HB2 GLU A 16 7.275 -10.284 -6.120 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.579 -9.131 -7.241 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.956 -9.423 -7.797 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.718 -7.796 -7.192 1.00 23.33 H new ATOM 271 N VAL A 17 7.621 -6.107 -5.009 1.00 8.99 N ATOM 272 CA VAL A 17 7.669 -4.697 -5.363 1.00 8.85 C ATOM 273 C VAL A 17 9.001 -4.291 -5.701 1.00 8.04 C ATOM 274 O VAL A 17 9.952 -4.798 -5.110 1.00 8.99 O ATOM 275 CB VAL A 17 7.072 -3.759 -4.255 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.592 -4.159 -4.050 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.919 -3.899 -3.000 1.00 10.54 C ATOM 0 H VAL A 17 8.273 -6.400 -4.282 1.00 8.99 H new ATOM 0 HA VAL A 17 7.033 -4.588 -6.242 1.00 8.85 H new ATOM 0 HB VAL A 17 7.094 -2.706 -4.535 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.146 -3.524 -3.284 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.048 -4.034 -4.986 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.537 -5.201 -3.735 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.519 -3.254 -2.218 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.899 -4.935 -2.661 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.946 -3.609 -3.220 1.00 10.54 H new ATOM 287 N GLU A 18 9.184 -3.404 -6.649 1.00 7.29 N ATOM 288 CA GLU A 18 10.459 -2.694 -6.752 1.00 7.08 C ATOM 289 C GLU A 18 10.626 -1.459 -5.762 1.00 6.45 C ATOM 290 O GLU A 18 9.603 -0.981 -5.281 1.00 5.28 O ATOM 291 CB GLU A 18 10.746 -2.188 -8.180 1.00 10.28 C ATOM 292 CG GLU A 18 10.751 -3.289 -9.254 1.00 12.65 C ATOM 293 CD GLU A 18 11.034 -2.783 -10.733 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.261 -1.920 -11.215 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.955 -3.276 -11.409 1.00 18.17 O ATOM 0 H GLU A 18 8.489 -3.152 -7.352 1.00 7.29 H new ATOM 0 HA GLU A 18 11.178 -3.460 -6.463 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.997 -1.442 -8.445 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.713 -1.686 -8.187 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.505 -4.030 -8.989 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.786 -3.796 -9.238 1.00 12.65 H new ATOM 302 N PRO A 19 11.832 -1.026 -5.322 1.00 7.24 N ATOM 303 CA PRO A 19 12.039 0.195 -4.446 1.00 7.07 C ATOM 304 C PRO A 19 11.597 1.456 -5.047 1.00 6.65 C ATOM 305 O PRO A 19 11.180 2.378 -4.333 1.00 6.37 O ATOM 306 CB PRO A 19 13.562 0.235 -4.219 1.00 7.61 C ATOM 307 CG PRO A 19 14.069 -1.145 -4.614 1.00 8.16 C ATOM 308 CD PRO A 19 13.095 -1.634 -5.705 1.00 7.49 C ATOM 0 HA PRO A 19 11.444 0.107 -3.537 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.029 1.012 -4.824 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.798 0.457 -3.178 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.091 -1.097 -4.991 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.076 -1.822 -3.760 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.410 -1.315 -6.698 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.028 -2.722 -5.726 1.00 7.49 H new ATOM 316 N SER A 20 11.560 1.493 -6.386 1.00 6.80 N ATOM 317 CA SER A 20 11.111 2.591 -7.270 1.00 6.28 C ATOM 318 C SER A 20 9.665 2.540 -7.687 1.00 8.45 C ATOM 319 O SER A 20 9.204 3.391 -8.429 1.00 7.26 O ATOM 320 CB SER A 20 12.017 2.625 -8.598 1.00 8.57 C ATOM 321 OG SER A 20 11.935 1.297 -9.184 1.00 11.13 O ATOM 0 H SER A 20 11.869 0.688 -6.931 1.00 6.80 H new ATOM 0 HA SER A 20 11.222 3.492 -6.667 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.656 3.380 -9.296 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.049 2.881 -8.358 1.00 8.57 H new ATOM 0 HG SER A 20 12.473 1.267 -10.003 1.00 11.13 H new ATOM 327 N ASP A 21 8.910 1.580 -7.180 1.00 7.50 N ATOM 328 CA ASP A 21 7.479 1.454 -7.398 1.00 7.70 C ATOM 329 C ASP A 21 6.754 2.480 -6.570 1.00 7.08 C ATOM 330 O ASP A 21 7.172 2.703 -5.458 1.00 8.11 O ATOM 331 CB ASP A 21 6.851 0.058 -6.950 1.00 11.00 C ATOM 332 CG ASP A 21 7.268 -1.107 -7.866 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.844 -0.831 -8.984 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.979 -2.305 -7.620 1.00 14.36 O ATOM 0 H ASP A 21 9.289 0.843 -6.586 1.00 7.50 H new ATOM 0 HA ASP A 21 7.359 1.571 -8.475 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.159 -0.162 -5.928 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.764 0.139 -6.945 1.00 11.00 H new ATOM 339 N THR A 22 5.793 3.214 -7.107 1.00 5.37 N ATOM 340 CA THR A 22 4.979 4.156 -6.414 1.00 6.01 C ATOM 341 C THR A 22 3.928 3.493 -5.504 1.00 8.01 C ATOM 342 O THR A 22 3.621 2.304 -5.717 1.00 8.11 O ATOM 343 CB THR A 22 4.197 5.133 -7.331 1.00 8.92 C ATOM 344 OG1 THR A 22 3.450 4.518 -8.406 1.00 10.22 O ATOM 345 CG2 THR A 22 5.268 6.014 -8.002 1.00 9.65 C ATOM 0 H THR A 22 5.559 3.152 -8.098 1.00 5.37 H new ATOM 0 HA THR A 22 5.716 4.709 -5.831 1.00 6.01 H new ATOM 0 HB THR A 22 3.469 5.648 -6.704 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.992 5.212 -8.925 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.785 6.731 -8.667 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.830 6.550 -7.237 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.948 5.386 -8.578 1.00 9.65 H new ATOM 353 N ILE A 23 3.525 4.207 -4.447 1.00 8.32 N ATOM 354 CA ILE A 23 2.440 3.770 -3.568 1.00 9.92 C ATOM 355 C ILE A 23 1.148 3.430 -4.429 1.00 10.01 C ATOM 356 O ILE A 23 0.375 2.549 -4.114 1.00 8.71 O ATOM 357 CB ILE A 23 2.144 4.827 -2.521 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.371 5.319 -1.673 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.088 4.345 -1.520 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.209 4.148 -1.072 1.00 12.30 C ATOM 0 H ILE A 23 3.941 5.099 -4.180 1.00 8.32 H new ATOM 0 HA ILE A 23 2.749 2.865 -3.044 1.00 9.92 H new ATOM 0 HB ILE A 23 1.799 5.666 -3.125 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.016 5.934 -2.301 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.014 5.955 -0.863 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.900 5.127 -0.784 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.163 4.115 -2.049 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.448 3.450 -1.014 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.042 4.554 -0.498 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.577 3.546 -0.419 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.595 3.525 -1.879 1.00 12.30 H new ATOM 372 N GLU A 24 0.872 4.267 -5.501 1.00 9.54 N ATOM 373 CA GLU A 24 -0.262 4.167 -6.384 1.00 11.81 C ATOM 374 C GLU A 24 -0.204 2.869 -7.193 1.00 11.14 C ATOM 375 O GLU A 24 -1.177 2.119 -7.407 1.00 10.62 O ATOM 376 CB GLU A 24 -0.347 5.389 -7.361 1.00 19.24 C ATOM 377 CG GLU A 24 -1.814 5.749 -7.698 1.00 27.76 C ATOM 378 CD GLU A 24 -1.989 6.804 -8.779 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.862 8.014 -8.440 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.225 6.454 -9.939 1.00 36.51 O ATOM 0 H GLU A 24 1.485 5.045 -5.744 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.155 4.166 -5.759 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.145 6.251 -6.910 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.192 5.159 -8.280 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -2.331 4.842 -8.011 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.304 6.098 -6.789 1.00 27.76 H new ATOM 387 N ASN A 25 1.001 2.514 -7.674 1.00 9.43 N ATOM 388 CA ASN A 25 1.341 1.261 -8.412 1.00 10.96 C ATOM 389 C ASN A 25 1.102 0.070 -7.478 1.00 9.68 C ATOM 390 O ASN A 25 0.503 -0.908 -7.911 1.00 9.33 O ATOM 391 CB ASN A 25 2.817 1.300 -8.888 1.00 16.78 C ATOM 392 CG ASN A 25 3.114 0.107 -9.770 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.818 -0.808 -9.372 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.635 0.130 -11.056 1.00 24.70 N ATOM 0 H ASN A 25 1.814 3.118 -7.558 1.00 9.43 H new ATOM 0 HA ASN A 25 0.711 1.165 -9.296 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.005 2.223 -9.437 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.485 1.299 -8.026 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.866 -0.627 -11.700 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.048 0.904 -11.368 1.00 24.70 H new ATOM 401 N VAL A 26 1.457 0.189 -6.187 1.00 6.52 N ATOM 402 CA VAL A 26 1.078 -0.786 -5.146 1.00 5.53 C ATOM 403 C VAL A 26 -0.443 -1.008 -4.850 1.00 4.42 C ATOM 404 O VAL A 26 -0.914 -2.138 -4.878 1.00 3.40 O ATOM 405 CB VAL A 26 1.792 -0.650 -3.747 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.532 -1.873 -2.824 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.331 -0.664 -4.061 1.00 8.12 C ATOM 0 H VAL A 26 2.016 0.965 -5.834 1.00 6.52 H new ATOM 0 HA VAL A 26 1.455 -1.658 -5.681 1.00 5.53 H new ATOM 0 HB VAL A 26 1.427 0.246 -3.246 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.046 -1.728 -1.874 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.461 -1.973 -2.645 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.906 -2.777 -3.304 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.893 -0.573 -3.131 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.593 -1.600 -4.553 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.576 0.172 -4.717 1.00 8.12 H new ATOM 417 N LYS A 27 -1.243 0.070 -4.697 1.00 2.64 N ATOM 418 CA LYS A 27 -2.678 0.053 -4.625 1.00 4.14 C ATOM 419 C LYS A 27 -3.264 -0.594 -5.855 1.00 5.58 C ATOM 420 O LYS A 27 -4.196 -1.438 -5.725 1.00 4.11 O ATOM 421 CB LYS A 27 -3.315 1.429 -4.378 1.00 3.97 C ATOM 422 CG LYS A 27 -2.895 2.100 -3.024 1.00 7.45 C ATOM 423 CD LYS A 27 -3.369 3.533 -2.790 1.00 9.02 C ATOM 424 CE LYS A 27 -2.931 4.205 -1.507 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.417 5.558 -1.596 1.00 15.47 N ATOM 0 H LYS A 27 -0.862 1.013 -4.619 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.922 -0.544 -3.746 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.046 2.094 -5.199 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.400 1.323 -4.397 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.268 1.481 -2.208 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.807 2.088 -2.962 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.025 4.143 -3.625 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.459 3.537 -2.819 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.344 3.696 -0.636 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.846 4.184 -1.403 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.920 6.152 -0.902 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.245 5.926 -2.553 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.438 5.574 -1.397 1.00 15.47 H new ATOM 439 N ALA A 28 -2.773 -0.231 -7.112 1.00 6.61 N ATOM 440 CA ALA A 28 -3.230 -0.819 -8.354 1.00 7.74 C ATOM 441 C ALA A 28 -2.969 -2.342 -8.471 1.00 9.17 C ATOM 442 O ALA A 28 -3.797 -3.197 -8.920 1.00 11.45 O ATOM 443 CB ALA A 28 -2.492 -0.117 -9.546 1.00 7.68 C ATOM 0 H ALA A 28 -2.053 0.480 -7.241 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.310 -0.673 -8.379 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.827 -0.551 -10.488 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.718 0.949 -9.537 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.416 -0.260 -9.443 1.00 7.68 H new ATOM 449 N LYS A 29 -1.818 -2.786 -7.910 1.00 8.96 N ATOM 450 CA LYS A 29 -1.360 -4.148 -7.748 1.00 7.90 C ATOM 451 C LYS A 29 -2.408 -4.903 -6.876 1.00 6.92 C ATOM 452 O LYS A 29 -2.870 -6.019 -7.138 1.00 6.87 O ATOM 453 CB LYS A 29 0.107 -4.186 -7.329 1.00 10.28 C ATOM 454 CG LYS A 29 0.613 -5.582 -6.962 1.00 14.94 C ATOM 455 CD LYS A 29 2.226 -5.606 -7.018 1.00 19.69 C ATOM 456 CE LYS A 29 2.823 -5.701 -8.421 1.00 22.63 C ATOM 457 NZ LYS A 29 4.211 -5.369 -8.322 1.00 24.98 N ATOM 0 H LYS A 29 -1.140 -2.124 -7.532 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.324 -4.708 -8.683 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.717 -3.792 -8.142 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.248 -3.524 -6.475 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.270 -5.853 -5.964 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.204 -6.321 -7.651 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.604 -4.703 -6.539 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.582 -6.452 -6.430 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.697 -6.706 -8.824 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.313 -5.019 -9.101 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.653 -5.441 -9.261 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.311 -4.397 -7.966 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.680 -6.028 -7.668 1.00 24.98 H new ATOM 471 N ILE A 30 -2.852 -4.267 -5.733 1.00 4.57 N ATOM 472 CA ILE A 30 -3.859 -4.870 -4.856 1.00 5.58 C ATOM 473 C ILE A 30 -5.289 -4.799 -5.524 1.00 7.26 C ATOM 474 O ILE A 30 -6.179 -5.583 -5.163 1.00 9.46 O ATOM 475 CB ILE A 30 -3.870 -4.161 -3.526 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.554 -4.554 -2.788 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.056 -4.452 -2.635 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.456 -6.078 -2.368 1.00 2.00 C ATOM 0 H ILE A 30 -2.519 -3.354 -5.425 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.604 -5.918 -4.699 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.948 -3.094 -3.736 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.708 -4.314 -3.432 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.458 -3.939 -1.893 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.960 -3.890 -1.706 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.974 -4.158 -3.144 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.090 -5.518 -2.412 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.507 -6.256 -1.862 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.278 -6.324 -1.695 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.516 -6.705 -3.258 1.00 2.00 H new ATOM 490 N GLN A 31 -5.571 -3.869 -6.513 1.00 7.06 N ATOM 491 CA GLN A 31 -6.748 -4.055 -7.344 1.00 8.67 C ATOM 492 C GLN A 31 -6.800 -5.209 -8.178 1.00 10.90 C ATOM 493 O GLN A 31 -7.784 -5.953 -8.298 1.00 9.63 O ATOM 494 CB GLN A 31 -7.027 -2.809 -8.206 1.00 9.12 C ATOM 495 CG GLN A 31 -8.514 -2.755 -8.553 1.00 10.76 C ATOM 496 CD GLN A 31 -9.065 -1.484 -9.192 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.360 -0.665 -9.796 1.00 14.48 O ATOM 498 NE2 GLN A 31 -10.404 -1.375 -8.993 1.00 14.76 N ATOM 0 H GLN A 31 -5.013 -3.041 -6.719 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.523 -4.221 -6.595 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.735 -1.908 -7.667 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.430 -2.843 -9.118 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.728 -3.585 -9.227 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.075 -2.936 -7.636 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.904 -2.102 -8.481 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -10.909 -0.566 -9.355 1.00 14.76 H new ATOM 507 N ASP A 32 -5.668 -5.488 -8.849 1.00 10.93 N ATOM 508 CA ASP A 32 -5.439 -6.776 -9.576 1.00 14.01 C ATOM 509 C ASP A 32 -5.698 -8.039 -8.765 1.00 14.04 C ATOM 510 O ASP A 32 -6.525 -8.896 -9.185 1.00 13.39 O ATOM 511 CB ASP A 32 -4.008 -6.848 -10.200 1.00 18.01 C ATOM 512 CG ASP A 32 -3.969 -6.161 -11.499 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.839 -5.289 -11.829 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.022 -6.458 -12.285 1.00 25.17 O ATOM 0 H ASP A 32 -4.883 -4.840 -8.910 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.193 -6.757 -10.363 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.287 -6.393 -9.521 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.713 -7.890 -10.326 1.00 18.01 H new ATOM 519 N LYS A 33 -5.035 -8.217 -7.601 1.00 14.22 N ATOM 520 CA LYS A 33 -5.183 -9.352 -6.693 1.00 14.00 C ATOM 521 C LYS A 33 -6.450 -9.419 -5.786 1.00 12.37 C ATOM 522 O LYS A 33 -7.017 -10.493 -5.694 1.00 12.17 O ATOM 523 CB LYS A 33 -3.956 -9.434 -5.713 1.00 18.62 C ATOM 524 CG LYS A 33 -2.636 -9.578 -6.435 1.00 24.00 C ATOM 525 CD LYS A 33 -1.566 -10.197 -5.572 1.00 27.61 C ATOM 526 CE LYS A 33 -0.138 -10.195 -6.200 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.067 -10.979 -7.445 1.00 30.06 N ATOM 0 H LYS A 33 -4.354 -7.537 -7.263 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.267 -10.178 -7.400 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.930 -8.537 -5.095 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.091 -10.281 -5.040 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.778 -10.190 -7.325 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.302 -8.597 -6.773 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.531 -9.663 -4.622 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.848 -11.226 -5.349 1.00 27.61 H new ATOM 0 HE2 LYS A 33 0.164 -9.168 -6.404 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.573 -10.599 -5.479 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.902 -10.946 -7.822 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.328 -11.966 -7.249 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.724 -10.579 -8.145 1.00 30.06 H new ATOM 541 N GLU A 34 -6.895 -8.288 -5.189 1.00 10.11 N ATOM 542 CA GLU A 34 -7.944 -8.237 -4.238 1.00 10.07 C ATOM 543 C GLU A 34 -9.235 -7.461 -4.654 1.00 9.32 C ATOM 544 O GLU A 34 -10.310 -7.478 -4.028 1.00 11.61 O ATOM 545 CB GLU A 34 -7.471 -7.655 -2.852 1.00 14.77 C ATOM 546 CG GLU A 34 -6.386 -8.428 -2.055 1.00 18.75 C ATOM 547 CD GLU A 34 -6.725 -9.857 -1.929 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.844 -10.218 -1.486 1.00 21.95 O ATOM 549 OE2 GLU A 34 -5.837 -10.729 -2.045 1.00 25.19 O ATOM 0 H GLU A 34 -6.495 -7.371 -5.389 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.216 -9.290 -4.165 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.098 -6.646 -3.026 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.350 -7.564 -2.213 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.423 -8.324 -2.554 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.280 -7.989 -1.063 1.00 18.75 H new ATOM 556 N GLY A 35 -9.127 -6.735 -5.769 1.00 7.22 N ATOM 557 CA GLY A 35 -10.224 -5.885 -6.288 1.00 6.29 C ATOM 558 C GLY A 35 -10.403 -4.539 -5.642 1.00 6.93 C ATOM 559 O GLY A 35 -11.295 -3.796 -6.066 1.00 7.41 O ATOM 0 H GLY A 35 -8.284 -6.713 -6.342 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.059 -5.731 -7.354 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.158 -6.437 -6.187 1.00 6.29 H new ATOM 563 N ILE A 36 -9.565 -4.118 -4.668 1.00 5.86 N ATOM 564 CA ILE A 36 -9.823 -2.895 -3.846 1.00 6.07 C ATOM 565 C ILE A 36 -9.450 -1.708 -4.745 1.00 6.36 C ATOM 566 O ILE A 36 -8.248 -1.673 -5.012 1.00 6.18 O ATOM 567 CB ILE A 36 -9.040 -2.847 -2.588 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.134 -4.210 -1.853 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.605 -1.702 -1.770 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.398 -4.198 -0.503 1.00 9.49 C ATOM 0 H ILE A 36 -8.701 -4.602 -4.425 1.00 5.86 H new ATOM 0 HA ILE A 36 -10.866 -2.882 -3.529 1.00 6.07 H new ATOM 0 HB ILE A 36 -7.979 -2.675 -2.770 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.182 -4.461 -1.690 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -8.714 -4.991 -2.486 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.060 -1.624 -0.829 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.502 -0.771 -2.328 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.659 -1.887 -1.565 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.493 -5.174 -0.028 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.344 -3.975 -0.665 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.835 -3.436 0.143 1.00 9.49 H new ATOM 582 N PRO A 37 -10.341 -0.812 -5.188 1.00 8.65 N ATOM 583 CA PRO A 37 -9.915 0.435 -5.826 1.00 9.18 C ATOM 584 C PRO A 37 -8.873 1.236 -5.254 1.00 9.85 C ATOM 585 O PRO A 37 -8.963 1.336 -4.043 1.00 8.51 O ATOM 586 CB PRO A 37 -11.250 1.249 -5.799 1.00 11.42 C ATOM 587 CG PRO A 37 -12.322 0.198 -5.901 1.00 9.27 C ATOM 588 CD PRO A 37 -11.791 -0.855 -4.931 1.00 8.33 C ATOM 0 HA PRO A 37 -9.448 0.181 -6.778 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.345 1.828 -4.880 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.303 1.955 -6.628 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.300 0.576 -5.604 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.425 -0.189 -6.915 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.028 -0.611 -3.895 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.211 -1.841 -5.131 1.00 8.33 H new ATOM 596 N PRO A 38 -7.858 1.806 -5.887 1.00 8.71 N ATOM 597 CA PRO A 38 -6.867 2.674 -5.213 1.00 9.08 C ATOM 598 C PRO A 38 -7.575 3.826 -4.448 1.00 9.28 C ATOM 599 O PRO A 38 -7.164 4.230 -3.362 1.00 6.50 O ATOM 600 CB PRO A 38 -5.951 3.114 -6.371 1.00 10.31 C ATOM 601 CG PRO A 38 -5.894 1.815 -7.193 1.00 10.81 C ATOM 602 CD PRO A 38 -7.360 1.421 -7.198 1.00 12.00 C ATOM 0 HA PRO A 38 -6.284 2.191 -4.429 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.370 3.945 -6.938 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.967 3.429 -6.024 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.506 1.978 -8.198 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.264 1.058 -6.727 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.903 1.933 -7.992 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.480 0.351 -7.367 1.00 12.00 H new ATOM 610 N ASP A 39 -8.705 4.298 -4.982 1.00 11.20 N ATOM 611 CA ASP A 39 -9.597 5.269 -4.473 1.00 14.96 C ATOM 612 C ASP A 39 -10.226 4.878 -3.151 1.00 13.99 C ATOM 613 O ASP A 39 -10.574 5.722 -2.310 1.00 13.75 O ATOM 614 CB ASP A 39 -10.687 5.799 -5.490 1.00 24.16 C ATOM 615 CG ASP A 39 -9.989 6.570 -6.623 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.338 7.618 -6.279 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.036 6.224 -7.800 1.00 35.55 O ATOM 0 H ASP A 39 -9.027 3.949 -5.885 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.939 6.118 -4.291 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.256 4.964 -5.899 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.396 6.447 -4.976 1.00 24.16 H new ATOM 622 N GLN A 40 -10.222 3.561 -2.820 1.00 11.60 N ATOM 623 CA GLN A 40 -10.741 3.018 -1.622 1.00 10.76 C ATOM 624 C GLN A 40 -9.660 2.468 -0.647 1.00 8.01 C ATOM 625 O GLN A 40 -10.002 1.854 0.327 1.00 8.96 O ATOM 626 CB GLN A 40 -11.844 1.986 -1.847 1.00 11.14 C ATOM 627 CG GLN A 40 -13.107 2.406 -2.656 1.00 14.85 C ATOM 628 CD GLN A 40 -14.142 1.238 -2.739 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.297 0.413 -1.835 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.980 1.283 -3.811 1.00 18.16 N ATOM 0 H GLN A 40 -9.830 2.849 -3.436 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.194 3.879 -1.131 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.397 1.130 -2.352 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.178 1.640 -0.869 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.571 3.273 -2.186 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.814 2.707 -3.662 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.831 1.974 -4.546 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.757 0.625 -3.879 1.00 18.16 H new ATOM 639 N GLN A 41 -8.348 2.727 -0.896 1.00 6.52 N ATOM 640 CA GLN A 41 -7.227 2.258 -0.024 1.00 3.87 C ATOM 641 C GLN A 41 -6.339 3.417 0.512 1.00 4.79 C ATOM 642 O GLN A 41 -5.885 4.129 -0.395 1.00 6.34 O ATOM 643 CB GLN A 41 -6.211 1.366 -0.763 1.00 4.20 C ATOM 644 CG GLN A 41 -6.736 0.156 -1.480 1.00 3.20 C ATOM 645 CD GLN A 41 -5.588 -0.570 -2.293 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.458 -0.864 -1.839 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.962 -0.859 -3.574 1.00 7.13 N ATOM 0 H GLN A 41 -8.034 3.265 -1.704 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.757 1.729 0.768 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.687 1.986 -1.491 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.470 1.031 -0.038 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.169 -0.538 -0.759 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.536 0.451 -2.159 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.892 -0.602 -3.904 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.311 -1.332 -4.201 1.00 7.13 H new ATOM 656 N ARG A 42 -6.263 3.705 1.802 1.00 5.73 N ATOM 657 CA ARG A 42 -5.132 4.385 2.348 1.00 6.97 C ATOM 658 C ARG A 42 -4.206 3.355 2.910 1.00 7.15 C ATOM 659 O ARG A 42 -4.738 2.317 3.327 1.00 7.33 O ATOM 660 CB ARG A 42 -5.460 5.375 3.531 1.00 13.23 C ATOM 661 CG ARG A 42 -6.232 6.552 2.983 1.00 21.27 C ATOM 662 CD ARG A 42 -6.409 7.648 4.050 1.00 26.14 C ATOM 663 NE ARG A 42 -6.850 8.901 3.410 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.102 9.386 3.478 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.139 8.758 4.008 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.304 10.556 2.862 1.00 36.39 N ATOM 0 H ARG A 42 -6.985 3.470 2.483 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.715 4.975 1.532 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.043 4.866 4.298 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.539 5.715 4.004 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.709 6.963 2.119 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.210 6.219 2.635 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.141 7.331 4.792 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.469 7.810 4.578 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.160 9.435 2.881 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.021 7.827 4.409 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.056 9.204 4.016 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.532 11.020 2.382 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.230 10.985 2.872 1.00 36.39 H new ATOM 680 N LEU A 43 -2.855 3.618 2.959 1.00 4.65 N ATOM 681 CA LEU A 43 -1.815 2.732 3.448 1.00 3.51 C ATOM 682 C LEU A 43 -1.046 3.436 4.508 1.00 5.56 C ATOM 683 O LEU A 43 -0.724 4.606 4.343 1.00 4.19 O ATOM 684 CB LEU A 43 -0.825 2.104 2.435 1.00 3.74 C ATOM 685 CG LEU A 43 -1.443 1.549 1.126 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.399 1.015 0.138 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.403 0.363 1.411 1.00 6.41 C ATOM 0 H LEU A 43 -2.476 4.508 2.634 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.375 1.867 3.802 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.082 2.857 2.171 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.294 1.293 2.933 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.964 2.402 0.692 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.900 0.642 -0.755 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.285 1.818 -0.138 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.162 0.205 0.604 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.819 -0.002 0.472 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.853 -0.440 1.901 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.212 0.698 2.060 1.00 6.41 H new ATOM 699 N ILE A 44 -0.759 2.727 5.591 1.00 4.58 N ATOM 700 CA ILE A 44 0.017 3.277 6.707 1.00 5.55 C ATOM 701 C ILE A 44 1.336 2.443 6.920 1.00 5.46 C ATOM 702 O ILE A 44 1.305 1.193 7.120 1.00 6.04 O ATOM 703 CB ILE A 44 -0.790 3.159 7.947 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.217 3.745 7.727 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.059 3.954 9.078 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.176 3.750 8.932 1.00 13.90 C ATOM 0 H ILE A 44 -1.053 1.760 5.726 1.00 4.58 H new ATOM 0 HA ILE A 44 0.265 4.315 6.486 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.894 2.110 8.223 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.109 4.772 7.379 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.691 3.183 6.922 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.633 3.883 10.002 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.934 3.534 9.235 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.032 5.000 8.787 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.131 4.185 8.636 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.334 2.728 9.275 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.743 4.341 9.739 1.00 13.90 H new ATOM 718 N PHE A 45 2.523 3.094 6.946 1.00 6.75 N ATOM 719 CA PHE A 45 3.763 2.512 7.300 1.00 4.70 C ATOM 720 C PHE A 45 4.390 3.093 8.537 1.00 6.34 C ATOM 721 O PHE A 45 4.785 4.250 8.591 1.00 5.45 O ATOM 722 CB PHE A 45 4.771 2.683 6.118 1.00 5.51 C ATOM 723 CG PHE A 45 6.056 1.942 6.326 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.112 0.563 6.685 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.284 2.638 6.322 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.325 -0.036 7.074 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.520 2.004 6.547 1.00 6.64 C ATOM 728 CZ PHE A 45 8.565 0.680 6.979 1.00 6.84 C ATOM 0 H PHE A 45 2.606 4.081 6.704 1.00 6.75 H new ATOM 0 HA PHE A 45 3.549 1.465 7.512 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.303 2.335 5.197 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.988 3.743 5.984 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.210 -0.031 6.658 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.275 3.702 6.138 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.322 -1.049 7.449 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.439 2.547 6.384 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.502 0.208 7.234 1.00 6.84 H new ATOM 738 N ALA A 46 4.502 2.285 9.578 1.00 6.53 N ATOM 739 CA ALA A 46 5.231 2.716 10.798 1.00 7.15 C ATOM 740 C ALA A 46 4.620 3.987 11.465 1.00 9.00 C ATOM 741 O ALA A 46 5.299 4.858 11.965 1.00 11.15 O ATOM 742 CB ALA A 46 6.741 2.800 10.545 1.00 8.99 C ATOM 0 H ALA A 46 4.113 1.343 9.621 1.00 6.53 H new ATOM 0 HA ALA A 46 5.094 1.938 11.549 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.246 3.118 11.457 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.115 1.821 10.246 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.937 3.521 9.751 1.00 8.99 H new ATOM 748 N GLY A 47 3.332 4.088 11.399 1.00 9.35 N ATOM 749 CA GLY A 47 2.523 5.175 11.902 1.00 11.68 C ATOM 750 C GLY A 47 2.372 6.263 10.824 1.00 11.14 C ATOM 751 O GLY A 47 1.740 7.232 11.073 1.00 13.93 O ATOM 0 H GLY A 47 2.765 3.362 10.960 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.541 4.803 12.195 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.983 5.598 12.795 1.00 11.68 H new ATOM 755 N LYS A 48 2.859 6.198 9.557 1.00 10.47 N ATOM 756 CA LYS A 48 2.741 7.267 8.558 1.00 8.82 C ATOM 757 C LYS A 48 1.888 6.904 7.332 1.00 7.68 C ATOM 758 O LYS A 48 2.159 5.921 6.657 1.00 6.47 O ATOM 759 CB LYS A 48 4.141 7.763 8.025 1.00 9.74 C ATOM 760 CG LYS A 48 4.986 8.357 9.163 1.00 14.14 C ATOM 761 CD LYS A 48 4.402 9.712 9.720 1.00 16.32 C ATOM 762 CE LYS A 48 5.474 10.466 10.579 1.00 20.04 C ATOM 763 NZ LYS A 48 5.294 9.889 11.895 1.00 23.92 N ATOM 0 H LYS A 48 3.354 5.378 9.205 1.00 10.47 H new ATOM 0 HA LYS A 48 2.238 8.059 9.112 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.675 6.930 7.567 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.993 8.513 7.248 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.051 7.634 9.976 1.00 14.14 H new ATOM 0 HG3 LYS A 48 6.002 8.525 8.805 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.083 10.344 8.891 1.00 16.32 H new ATOM 0 HD3 LYS A 48 3.519 9.511 10.326 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.483 10.303 10.201 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.305 11.543 10.583 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 5.966 10.323 12.559 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 4.322 10.065 12.221 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.464 8.864 11.851 1.00 23.92 H new ATOM 777 N GLN A 49 0.928 7.749 6.874 1.00 8.89 N ATOM 778 CA GLN A 49 0.161 7.726 5.667 1.00 7.18 C ATOM 779 C GLN A 49 1.021 7.852 4.367 1.00 8.23 C ATOM 780 O GLN A 49 1.865 8.801 4.356 1.00 9.70 O ATOM 781 CB GLN A 49 -0.860 8.869 5.580 1.00 11.67 C ATOM 782 CG GLN A 49 -2.068 8.815 6.586 1.00 15.82 C ATOM 783 CD GLN A 49 -3.079 7.658 6.233 1.00 20.21 C ATOM 784 OE1 GLN A 49 -2.922 7.017 5.216 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.038 7.421 7.165 1.00 20.67 N ATOM 0 H GLN A 49 0.664 8.556 7.440 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.326 6.752 5.718 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.331 9.810 5.733 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.262 8.890 4.567 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.691 8.670 7.598 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.592 9.771 6.575 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.100 8.011 7.995 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.697 6.653 7.035 1.00 20.67 H new ATOM 794 N LEU A 50 0.679 7.054 3.347 1.00 6.51 N ATOM 795 CA LEU A 50 1.449 7.078 2.169 1.00 7.41 C ATOM 796 C LEU A 50 0.716 7.827 0.996 1.00 8.27 C ATOM 797 O LEU A 50 -0.369 7.453 0.554 1.00 8.34 O ATOM 798 CB LEU A 50 1.807 5.607 1.725 1.00 7.13 C ATOM 799 CG LEU A 50 2.492 4.785 2.843 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.982 3.389 2.346 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.738 5.473 3.482 1.00 9.11 C ATOM 0 H LEU A 50 -0.112 6.410 3.343 1.00 6.51 H new ATOM 0 HA LEU A 50 2.363 7.628 2.390 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.896 5.096 1.413 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.464 5.646 0.856 1.00 7.13 H new ATOM 0 HG LEU A 50 1.702 4.693 3.588 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.455 2.855 3.170 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.131 2.814 1.981 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.703 3.522 1.539 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.154 4.827 4.255 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.490 5.650 2.713 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.441 6.424 3.925 1.00 9.11 H new ATOM 813 N GLU A 51 1.276 8.965 0.506 1.00 9.43 N ATOM 814 CA GLU A 51 0.920 9.677 -0.737 1.00 11.90 C ATOM 815 C GLU A 51 1.183 8.841 -1.988 1.00 11.49 C ATOM 816 O GLU A 51 2.188 8.205 -2.140 1.00 9.88 O ATOM 817 CB GLU A 51 1.615 11.118 -0.758 1.00 16.56 C ATOM 818 CG GLU A 51 1.511 11.936 0.603 1.00 26.06 C ATOM 819 CD GLU A 51 1.600 13.458 0.471 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.723 14.034 0.239 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.602 14.205 0.636 1.00 33.44 O ATOM 0 H GLU A 51 2.034 9.433 1.004 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.158 9.841 -0.750 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.668 10.993 -1.009 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.165 11.710 -1.555 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.565 11.686 1.084 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.306 11.600 1.269 1.00 26.06 H new ATOM 828 N ASP A 52 0.259 8.874 -2.920 1.00 12.71 N ATOM 829 CA ASP A 52 0.266 7.982 -4.067 1.00 16.56 C ATOM 830 C ASP A 52 1.558 8.015 -4.969 1.00 15.83 C ATOM 831 O ASP A 52 2.082 6.930 -5.371 1.00 17.21 O ATOM 832 CB ASP A 52 -0.940 8.343 -4.909 1.00 21.05 C ATOM 833 CG ASP A 52 -2.208 7.853 -4.242 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.227 6.727 -3.714 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.230 8.595 -4.323 1.00 28.37 O ATOM 0 H ASP A 52 -0.527 9.524 -2.908 1.00 12.71 H new ATOM 0 HA ASP A 52 0.244 6.966 -3.673 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.987 9.423 -5.046 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.847 7.899 -5.900 1.00 21.05 H new ATOM 840 N GLY A 53 2.009 9.243 -5.322 1.00 15.00 N ATOM 841 CA GLY A 53 3.183 9.508 -6.182 1.00 11.77 C ATOM 842 C GLY A 53 4.475 9.377 -5.578 1.00 11.10 C ATOM 843 O GLY A 53 5.439 9.570 -6.310 1.00 11.25 O ATOM 0 H GLY A 53 1.552 10.099 -5.007 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.138 8.831 -7.035 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.094 10.521 -6.574 1.00 11.77 H new ATOM 847 N ARG A 54 4.582 9.122 -4.284 1.00 8.53 N ATOM 848 CA ARG A 54 5.797 8.696 -3.677 1.00 9.05 C ATOM 849 C ARG A 54 6.173 7.263 -3.974 1.00 8.96 C ATOM 850 O ARG A 54 5.310 6.373 -4.075 1.00 11.60 O ATOM 851 CB ARG A 54 5.769 8.733 -2.125 1.00 7.97 C ATOM 852 CG ARG A 54 5.264 10.065 -1.532 1.00 9.62 C ATOM 853 CD ARG A 54 6.408 10.983 -1.085 1.00 12.20 C ATOM 854 NE ARG A 54 5.752 12.174 -0.435 1.00 18.23 N ATOM 855 CZ ARG A 54 6.039 12.594 0.772 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.116 12.271 1.468 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.112 13.348 1.435 1.00 23.38 N ATOM 0 H ARG A 54 3.805 9.212 -3.630 1.00 8.53 H new ATOM 0 HA ARG A 54 6.504 9.406 -4.105 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.133 7.924 -1.765 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.774 8.539 -1.750 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.657 10.582 -2.275 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.616 9.857 -0.680 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.069 10.471 -0.386 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.018 11.289 -1.935 1.00 12.20 H new ATOM 0 HE ARG A 54 5.044 12.682 -0.965 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.812 11.641 1.068 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.251 12.651 2.405 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.222 13.571 0.989 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.310 13.688 2.376 1.00 23.38 H new ATOM 871 N THR A 55 7.449 6.921 -4.024 1.00 9.05 N ATOM 872 CA THR A 55 7.989 5.574 -4.146 1.00 9.03 C ATOM 873 C THR A 55 8.342 5.017 -2.823 1.00 8.15 C ATOM 874 O THR A 55 8.576 5.658 -1.790 1.00 5.91 O ATOM 875 CB THR A 55 9.247 5.493 -5.024 1.00 11.15 C ATOM 876 OG1 THR A 55 10.295 6.341 -4.539 1.00 11.95 O ATOM 877 CG2 THR A 55 8.988 5.849 -6.483 1.00 11.71 C ATOM 0 H THR A 55 8.187 7.624 -3.977 1.00 9.05 H new ATOM 0 HA THR A 55 7.192 4.999 -4.618 1.00 9.03 H new ATOM 0 HB THR A 55 9.553 4.448 -4.968 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.078 6.260 -5.123 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.918 5.772 -7.047 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.252 5.162 -6.900 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.609 6.869 -6.547 1.00 11.71 H new ATOM 885 N LEU A 56 8.531 3.643 -2.839 1.00 6.91 N ATOM 886 CA LEU A 56 8.792 2.894 -1.653 1.00 8.29 C ATOM 887 C LEU A 56 10.114 3.254 -0.880 1.00 8.05 C ATOM 888 O LEU A 56 10.112 3.501 0.300 1.00 10.17 O ATOM 889 CB LEU A 56 8.792 1.409 -1.924 1.00 6.60 C ATOM 890 CG LEU A 56 7.322 0.949 -2.312 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.287 -0.538 -2.746 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.271 1.097 -1.219 1.00 8.64 C ATOM 0 H LEU A 56 8.497 3.079 -3.688 1.00 6.91 H new ATOM 0 HA LEU A 56 7.967 3.182 -1.001 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.485 1.175 -2.732 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.135 0.866 -1.043 1.00 6.60 H new ATOM 0 HG LEU A 56 7.068 1.631 -3.123 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.266 -0.818 -3.004 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.932 -0.679 -3.613 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.639 -1.165 -1.926 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.306 0.754 -1.593 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.559 0.499 -0.354 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.195 2.144 -0.927 1.00 8.64 H new ATOM 904 N SER A 57 11.198 3.355 -1.612 1.00 8.92 N ATOM 905 CA SER A 57 12.532 3.808 -1.080 1.00 9.00 C ATOM 906 C SER A 57 12.570 5.308 -0.568 1.00 9.44 C ATOM 907 O SER A 57 13.393 5.749 0.196 1.00 10.91 O ATOM 908 CB SER A 57 13.737 3.647 -1.966 1.00 10.32 C ATOM 909 OG SER A 57 13.713 4.299 -3.228 1.00 13.59 O ATOM 0 H SER A 57 11.215 3.131 -2.607 1.00 8.92 H new ATOM 0 HA SER A 57 12.613 3.095 -0.260 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.608 4.006 -1.418 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.887 2.582 -2.140 1.00 10.32 H new ATOM 0 HG SER A 57 14.550 4.119 -3.705 1.00 13.59 H new ATOM 915 N ASP A 58 11.582 6.135 -0.990 1.00 9.11 N ATOM 916 CA ASP A 58 11.529 7.513 -0.594 1.00 7.91 C ATOM 917 C ASP A 58 10.908 7.584 0.808 1.00 9.12 C ATOM 918 O ASP A 58 11.163 8.469 1.640 1.00 8.61 O ATOM 919 CB ASP A 58 10.641 8.231 -1.607 1.00 8.41 C ATOM 920 CG ASP A 58 10.636 9.762 -1.398 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.675 10.402 -1.314 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.502 10.241 -1.322 1.00 10.05 O ATOM 0 H ASP A 58 10.822 5.845 -1.605 1.00 9.11 H new ATOM 0 HA ASP A 58 12.516 7.974 -0.567 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.987 8.005 -2.616 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.622 7.852 -1.527 1.00 8.41 H new ATOM 927 N TYR A 59 10.142 6.562 1.178 1.00 7.97 N ATOM 928 CA TYR A 59 9.399 6.406 2.440 1.00 8.45 C ATOM 929 C TYR A 59 10.172 5.513 3.378 1.00 10.98 C ATOM 930 O TYR A 59 9.688 5.249 4.470 1.00 12.95 O ATOM 931 CB TYR A 59 8.032 5.752 2.169 1.00 7.94 C ATOM 932 CG TYR A 59 6.990 6.810 2.169 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.835 7.659 3.334 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.110 6.906 1.152 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.715 8.494 3.463 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.055 7.844 1.190 1.00 6.52 C ATOM 937 CZ TYR A 59 4.879 8.608 2.297 1.00 6.76 C ATOM 938 OH TYR A 59 3.968 9.773 2.259 1.00 7.63 O ATOM 0 H TYR A 59 10.010 5.758 0.564 1.00 7.97 H new ATOM 0 HA TYR A 59 9.259 7.391 2.885 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.044 5.234 1.210 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.812 5.005 2.932 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.588 7.649 4.109 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.213 6.256 0.296 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.494 9.019 4.381 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.393 7.952 0.344 1.00 6.52 H new ATOM 0 HH TYR A 59 3.225 9.627 2.881 1.00 7.63 H new ATOM 948 N ASN A 60 11.385 5.091 2.941 1.00 12.38 N ATOM 949 CA ASN A 60 12.286 4.177 3.673 1.00 13.94 C ATOM 950 C ASN A 60 11.742 2.795 4.018 1.00 14.16 C ATOM 951 O ASN A 60 12.152 2.137 4.939 1.00 14.26 O ATOM 952 CB ASN A 60 12.968 4.822 4.900 1.00 19.23 C ATOM 953 CG ASN A 60 13.774 6.075 4.465 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.474 7.226 4.906 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.700 5.921 3.497 1.00 24.09 N ATOM 0 H ASN A 60 11.770 5.388 2.044 1.00 12.38 H new ATOM 0 HA ASN A 60 13.045 3.989 2.914 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.216 5.102 5.638 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.631 4.101 5.378 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.171 6.737 3.108 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.929 4.988 3.154 1.00 24.09 H new ATOM 962 N ILE A 61 10.862 2.310 3.148 1.00 11.08 N ATOM 963 CA ILE A 61 10.313 0.943 3.169 1.00 11.78 C ATOM 964 C ILE A 61 11.321 -0.016 2.763 1.00 13.74 C ATOM 965 O ILE A 61 12.217 0.235 1.988 1.00 14.60 O ATOM 966 CB ILE A 61 9.075 0.926 2.232 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.001 1.846 2.976 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.512 -0.531 1.928 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.647 2.049 2.247 1.00 11.42 C ATOM 0 H ILE A 61 10.494 2.871 2.380 1.00 11.08 H new ATOM 0 HA ILE A 61 10.009 0.657 4.176 1.00 11.78 H new ATOM 0 HB ILE A 61 9.333 1.297 1.240 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.800 1.413 3.956 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.448 2.825 3.146 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.648 -0.457 1.267 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.287 -1.127 1.447 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.214 -1.008 2.862 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.002 2.690 2.848 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.822 2.517 1.278 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.164 1.083 2.101 1.00 11.42 H new ATOM 981 N GLN A 62 11.288 -1.196 3.418 1.00 13.97 N ATOM 982 CA GLN A 62 12.300 -2.160 3.419 1.00 15.52 C ATOM 983 C GLN A 62 11.807 -3.478 3.037 1.00 13.94 C ATOM 984 O GLN A 62 10.575 -3.701 3.091 1.00 12.15 O ATOM 985 CB GLN A 62 12.884 -2.395 4.855 1.00 19.53 C ATOM 986 CG GLN A 62 13.534 -1.179 5.588 1.00 26.38 C ATOM 987 CD GLN A 62 14.636 -0.582 4.755 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.652 -1.251 4.571 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.444 0.636 4.222 1.00 32.71 N ATOM 0 H GLN A 62 10.485 -1.475 3.982 1.00 13.97 H new ATOM 0 HA GLN A 62 13.039 -1.770 2.719 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.079 -2.774 5.485 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.633 -3.183 4.786 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.775 -0.423 5.792 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.932 -1.499 6.551 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.580 1.144 4.410 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.162 1.052 3.629 1.00 32.71 H new ATOM 998 N LYS A 63 12.671 -4.399 2.639 1.00 11.73 N ATOM 999 CA LYS A 63 12.337 -5.777 2.410 1.00 11.97 C ATOM 1000 C LYS A 63 11.712 -6.513 3.676 1.00 10.41 C ATOM 1001 O LYS A 63 12.268 -6.498 4.767 1.00 9.59 O ATOM 1002 CB LYS A 63 13.708 -6.465 2.110 1.00 13.73 C ATOM 1003 CG LYS A 63 13.699 -7.939 1.688 1.00 16.98 C ATOM 1004 CD LYS A 63 14.940 -8.368 0.874 1.00 20.19 C ATOM 1005 CE LYS A 63 16.240 -8.308 1.660 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.323 -8.777 0.785 1.00 25.97 N ATOM 0 H LYS A 63 13.654 -4.190 2.464 1.00 11.73 H new ATOM 0 HA LYS A 63 11.591 -5.836 1.617 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.202 -5.896 1.322 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.327 -6.377 3.003 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.630 -8.561 2.580 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.805 -8.131 1.095 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.792 -9.385 0.512 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.027 -7.727 -0.003 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.436 -7.290 1.996 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.175 -8.931 2.552 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.225 -8.745 1.302 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.129 -9.754 0.486 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.382 -8.164 -0.053 1.00 25.97 H new ATOM 1020 N GLU A 64 10.536 -7.134 3.509 1.00 10.04 N ATOM 1021 CA GLU A 64 9.755 -7.874 4.556 1.00 10.94 C ATOM 1022 C GLU A 64 8.943 -6.999 5.490 1.00 9.74 C ATOM 1023 O GLU A 64 8.375 -7.406 6.496 1.00 9.42 O ATOM 1024 CB GLU A 64 10.630 -8.967 5.328 1.00 18.31 C ATOM 1025 CG GLU A 64 11.291 -9.964 4.387 1.00 24.16 C ATOM 1026 CD GLU A 64 12.259 -10.906 5.135 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.836 -11.880 5.810 1.00 31.72 O ATOM 1028 OE2 GLU A 64 13.457 -10.549 5.252 1.00 32.61 O ATOM 0 H GLU A 64 10.066 -7.145 2.604 1.00 10.04 H new ATOM 0 HA GLU A 64 9.003 -8.421 3.988 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.398 -8.463 5.914 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.994 -9.505 6.031 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.524 -10.555 3.886 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.835 -9.425 3.611 1.00 24.16 H new ATOM 1035 N SER A 65 8.772 -5.690 5.107 1.00 6.85 N ATOM 1036 CA SER A 65 7.889 -4.747 5.715 1.00 6.90 C ATOM 1037 C SER A 65 6.408 -5.116 5.637 1.00 4.72 C ATOM 1038 O SER A 65 5.895 -5.641 4.642 1.00 3.91 O ATOM 1039 CB SER A 65 7.914 -3.322 5.167 1.00 7.28 C ATOM 1040 OG SER A 65 9.213 -2.882 5.100 1.00 10.56 O ATOM 0 H SER A 65 9.290 -5.288 4.326 1.00 6.85 H new ATOM 0 HA SER A 65 8.294 -4.785 6.726 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.457 -3.293 4.178 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.328 -2.664 5.808 1.00 7.28 H new ATOM 0 HG SER A 65 9.689 -3.372 4.397 1.00 10.56 H new ATOM 1046 N THR A 66 5.602 -4.667 6.584 1.00 4.48 N ATOM 1047 CA THR A 66 4.162 -4.772 6.624 1.00 3.80 C ATOM 1048 C THR A 66 3.621 -3.420 6.471 1.00 4.60 C ATOM 1049 O THR A 66 4.114 -2.505 7.132 1.00 5.33 O ATOM 1050 CB THR A 66 3.676 -5.365 7.963 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.232 -6.659 8.222 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.151 -5.516 7.888 1.00 3.40 C ATOM 0 H THR A 66 5.970 -4.184 7.404 1.00 4.48 H new ATOM 0 HA THR A 66 3.824 -5.434 5.827 1.00 3.80 H new ATOM 0 HB THR A 66 3.992 -4.694 8.762 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.897 -6.993 9.080 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.780 -5.934 8.824 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.696 -4.539 7.722 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.891 -6.182 7.065 1.00 3.40 H new ATOM 1060 N LEU A 67 2.636 -3.208 5.530 1.00 4.17 N ATOM 1061 CA LEU A 67 1.958 -1.926 5.262 1.00 3.85 C ATOM 1062 C LEU A 67 0.500 -2.339 5.626 1.00 3.80 C ATOM 1063 O LEU A 67 0.018 -3.463 5.411 1.00 5.54 O ATOM 1064 CB LEU A 67 1.941 -1.359 3.791 1.00 7.18 C ATOM 1065 CG LEU A 67 3.165 -0.560 3.278 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.488 -1.397 3.272 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.849 -0.099 1.858 1.00 11.66 C ATOM 0 H LEU A 67 2.296 -3.960 4.930 1.00 4.17 H new ATOM 0 HA LEU A 67 2.463 -1.123 5.799 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.792 -2.202 3.116 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.066 -0.716 3.697 1.00 7.18 H new ATOM 0 HG LEU A 67 3.335 0.278 3.954 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.307 -0.780 2.902 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.713 -1.729 4.285 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.366 -2.265 2.624 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.692 0.469 1.464 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.669 -0.968 1.225 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.960 0.532 1.870 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.228 -1.403 6.235 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.600 -1.602 6.679 1.00 4.17 C ATOM 1081 C HIS A 68 -2.626 -0.766 5.976 1.00 5.32 C ATOM 1082 O HIS A 68 -2.440 0.439 5.671 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.631 -1.175 8.169 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.404 -1.690 8.767 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.815 -1.050 8.937 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.186 -2.924 9.305 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.633 -1.858 9.597 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.118 -3.050 9.787 1.00 16.30 N ATOM 0 H HIS A 68 0.130 -0.469 6.435 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.855 -2.643 6.478 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.683 -0.090 8.262 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.509 -1.581 8.672 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.044 -0.112 8.608 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.929 -3.706 9.352 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.615 -1.567 9.940 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.789 -1.367 5.670 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.718 -0.898 4.714 1.00 3.97 C ATOM 1098 C LEU A 69 -5.986 -0.401 5.329 1.00 5.07 C ATOM 1099 O LEU A 69 -6.643 -1.102 6.127 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.917 -1.986 3.636 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.502 -1.510 2.268 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.113 -2.311 1.077 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -7.078 -1.526 2.311 1.00 9.96 C ATOM 0 H LEU A 69 -4.090 -2.231 6.122 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.315 -0.012 4.223 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.954 -2.462 3.449 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.577 -2.752 4.042 1.00 6.08 H new ATOM 0 HG LEU A 69 -5.077 -0.513 2.149 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.578 -1.888 0.186 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.029 -2.293 0.964 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.447 -3.341 1.206 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.472 -1.192 1.351 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -7.426 -2.539 2.513 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.427 -0.858 3.099 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.377 0.836 5.008 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.603 1.453 5.653 1.00 6.26 C ATOM 1117 C VAL A 70 -8.514 1.789 4.521 1.00 9.22 C ATOM 1118 O VAL A 70 -8.054 2.402 3.576 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.323 2.575 6.559 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.606 3.008 7.316 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.125 2.235 7.558 1.00 8.54 C ATOM 0 H VAL A 70 -5.901 1.434 4.333 1.00 4.29 H new ATOM 0 HA VAL A 70 -8.073 0.749 6.340 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.998 3.422 5.955 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.373 3.840 7.980 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.365 3.319 6.598 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.983 2.170 7.902 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.945 3.087 8.214 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.388 1.364 8.159 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.223 2.021 6.985 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.796 1.356 4.684 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.883 1.776 3.736 1.00 16.06 C ATOM 1133 C LEU A 71 -11.031 3.287 3.573 1.00 18.09 C ATOM 1134 O LEU A 71 -11.412 4.049 4.448 1.00 19.26 O ATOM 1135 CB LEU A 71 -12.139 0.970 4.138 1.00 17.10 C ATOM 1136 CG LEU A 71 -13.316 0.937 3.092 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.900 2.245 2.659 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -12.884 0.127 1.864 1.00 19.57 C ATOM 0 H LEU A 71 -10.102 0.737 5.435 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.638 1.528 2.703 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.835 -0.057 4.342 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.524 1.380 5.072 1.00 17.10 H new ATOM 0 HG LEU A 71 -14.134 0.467 3.638 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -14.699 2.066 1.939 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -14.303 2.768 3.526 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.124 2.855 2.196 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -13.698 0.103 1.139 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -12.008 0.592 1.411 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -12.639 -0.891 2.167 1.00 19.57 H new