USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 416 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 22 GLN : amide:sc= 0.961 K(o=2.7,f=0.41) USER MOD Set 1.2: A 62 SER OG : rot 83:sc= 1.7 USER MOD Single : A 2 SER OG : rot -7:sc= 0.626 USER MOD Single : A 7 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0197) USER MOD Single : A 12 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0922) USER MOD Single : A 13 TYR OH : rot -170:sc= 1.25 USER MOD Single : A 24 SER OG : rot 82:sc= 1.09 USER MOD Single : A 25 LYS NZ :NH3+ -159:sc= 0.433 (180deg=0.271) USER MOD Single : A 29 LYS NZ :NH3+ 169:sc= -0.0122 (180deg=-0.139) USER MOD Single : A 33 GLN : amide:sc= 0.693 K(o=0.69,f=-0.019) USER MOD Single : A 34 THR OG1 : rot 119:sc= 1.21 USER MOD Single : A 55 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0164) USER MOD Single : A 67 GLN : amide:sc= -0.969 X(o=-0.97,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 25 N SER A 2 2.816 -0.229 -1.697 1.00 0.00 N ATOM 26 CA SER A 2 2.643 -1.496 -2.383 1.00 0.00 C ATOM 27 C SER A 2 2.147 -1.331 -3.825 1.00 0.00 C ATOM 28 O SER A 2 2.815 -1.836 -4.724 1.00 0.00 O ATOM 29 CB SER A 2 1.781 -2.439 -1.537 1.00 0.00 C ATOM 30 OG SER A 2 1.121 -1.726 -0.504 1.00 0.00 O ATOM 0 HA SER A 2 3.622 -1.962 -2.491 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.045 -2.934 -2.171 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.406 -3.220 -1.104 1.00 0.00 H new ATOM 0 HG SER A 2 1.450 -0.803 -0.481 1.00 0.00 H new ATOM 36 N PRO A 3 1.023 -0.640 -4.090 1.00 0.00 N ATOM 37 CA PRO A 3 0.556 -0.393 -5.448 1.00 0.00 C ATOM 38 C PRO A 3 1.669 0.121 -6.362 1.00 0.00 C ATOM 39 O PRO A 3 1.868 -0.400 -7.455 1.00 0.00 O ATOM 40 CB PRO A 3 -0.583 0.623 -5.318 1.00 0.00 C ATOM 41 CG PRO A 3 -1.143 0.323 -3.930 1.00 0.00 C ATOM 42 CD PRO A 3 0.107 -0.043 -3.130 1.00 0.00 C ATOM 0 HA PRO A 3 0.216 -1.318 -5.915 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -0.222 1.648 -5.396 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.335 0.490 -6.096 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -1.656 1.186 -3.506 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -1.862 -0.496 -3.953 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.547 0.839 -2.664 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -0.131 -0.742 -2.328 1.00 0.00 H new ATOM 50 N GLU A 4 2.405 1.134 -5.898 1.00 0.00 N ATOM 51 CA GLU A 4 3.475 1.768 -6.651 1.00 0.00 C ATOM 52 C GLU A 4 4.600 0.766 -6.915 1.00 0.00 C ATOM 53 O GLU A 4 5.092 0.655 -8.037 1.00 0.00 O ATOM 54 CB GLU A 4 3.990 2.984 -5.872 1.00 0.00 C ATOM 55 CG GLU A 4 2.893 4.036 -5.647 1.00 0.00 C ATOM 56 CD GLU A 4 3.299 5.018 -4.556 1.00 0.00 C ATOM 57 OE1 GLU A 4 3.057 4.674 -3.378 1.00 0.00 O ATOM 58 OE2 GLU A 4 3.851 6.080 -4.915 1.00 0.00 O ATOM 0 H GLU A 4 2.267 1.539 -4.972 1.00 0.00 H new ATOM 0 HA GLU A 4 3.096 2.105 -7.616 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.381 2.657 -4.908 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.819 3.437 -6.415 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.704 4.575 -6.575 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.961 3.543 -5.370 1.00 0.00 H new ATOM 65 N GLU A 5 5.003 0.027 -5.880 1.00 0.00 N ATOM 66 CA GLU A 5 6.028 -0.997 -6.000 1.00 0.00 C ATOM 67 C GLU A 5 5.610 -2.026 -7.053 1.00 0.00 C ATOM 68 O GLU A 5 6.387 -2.366 -7.944 1.00 0.00 O ATOM 69 CB GLU A 5 6.266 -1.626 -4.622 1.00 0.00 C ATOM 70 CG GLU A 5 7.440 -2.610 -4.628 1.00 0.00 C ATOM 71 CD GLU A 5 7.742 -3.102 -3.216 1.00 0.00 C ATOM 72 OE1 GLU A 5 6.842 -3.748 -2.637 1.00 0.00 O ATOM 73 OE2 GLU A 5 8.852 -2.798 -2.730 1.00 0.00 O ATOM 0 H GLU A 5 4.625 0.126 -4.938 1.00 0.00 H new ATOM 0 HA GLU A 5 6.970 -0.564 -6.336 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.459 -0.838 -3.894 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.362 -2.144 -4.300 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.206 -3.458 -5.271 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.323 -2.127 -5.046 1.00 0.00 H new ATOM 80 N LEU A 6 4.369 -2.506 -6.962 1.00 0.00 N ATOM 81 CA LEU A 6 3.815 -3.493 -7.877 1.00 0.00 C ATOM 82 C LEU A 6 3.750 -2.927 -9.300 1.00 0.00 C ATOM 83 O LEU A 6 4.062 -3.636 -10.254 1.00 0.00 O ATOM 84 CB LEU A 6 2.450 -3.976 -7.364 1.00 0.00 C ATOM 85 CG LEU A 6 2.553 -4.720 -6.017 1.00 0.00 C ATOM 86 CD1 LEU A 6 1.200 -4.714 -5.302 1.00 0.00 C ATOM 87 CD2 LEU A 6 2.989 -6.173 -6.221 1.00 0.00 C ATOM 0 H LEU A 6 3.714 -2.212 -6.237 1.00 0.00 H new ATOM 0 HA LEU A 6 4.469 -4.364 -7.918 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.784 -3.120 -7.252 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.000 -4.636 -8.106 1.00 0.00 H new ATOM 0 HG LEU A 6 3.298 -4.202 -5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.288 -5.243 -4.353 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.891 -3.685 -5.117 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.456 -5.210 -5.926 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.053 -6.673 -5.254 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.260 -6.687 -6.848 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.965 -6.195 -6.706 1.00 0.00 H new ATOM 99 N LYS A 7 3.384 -1.650 -9.452 1.00 0.00 N ATOM 100 CA LYS A 7 3.470 -0.933 -10.719 1.00 0.00 C ATOM 101 C LYS A 7 4.900 -1.012 -11.265 1.00 0.00 C ATOM 102 O LYS A 7 5.113 -1.421 -12.406 1.00 0.00 O ATOM 103 CB LYS A 7 3.020 0.532 -10.534 1.00 0.00 C ATOM 104 CG LYS A 7 2.354 1.191 -11.751 1.00 0.00 C ATOM 105 CD LYS A 7 3.041 0.888 -13.084 1.00 0.00 C ATOM 106 CE LYS A 7 2.373 1.638 -14.243 1.00 0.00 C ATOM 107 NZ LYS A 7 2.670 3.081 -14.210 1.00 0.00 N ATOM 0 H LYS A 7 3.016 -1.083 -8.688 1.00 0.00 H new ATOM 0 HA LYS A 7 2.802 -1.398 -11.444 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.324 0.574 -9.697 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.890 1.126 -10.255 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.317 0.860 -11.807 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.337 2.271 -11.601 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.092 1.169 -13.025 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.008 -0.184 -13.276 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.713 1.219 -15.190 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.294 1.489 -14.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.301 3.531 -15.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.220 3.509 -13.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.699 3.223 -14.159 1.00 0.00 H new ATOM 121 N GLY A 8 5.880 -0.629 -10.443 1.00 0.00 N ATOM 122 CA GLY A 8 7.286 -0.645 -10.808 1.00 0.00 C ATOM 123 C GLY A 8 7.714 -2.030 -11.284 1.00 0.00 C ATOM 124 O GLY A 8 8.218 -2.171 -12.395 1.00 0.00 O ATOM 0 H GLY A 8 5.710 -0.296 -9.494 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.469 0.086 -11.595 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.891 -0.349 -9.951 1.00 0.00 H new ATOM 128 N ILE A 9 7.497 -3.052 -10.449 1.00 0.00 N ATOM 129 CA ILE A 9 7.726 -4.453 -10.787 1.00 0.00 C ATOM 130 C ILE A 9 7.114 -4.744 -12.160 1.00 0.00 C ATOM 131 O ILE A 9 7.825 -5.115 -13.092 1.00 0.00 O ATOM 132 CB ILE A 9 7.131 -5.343 -9.673 1.00 0.00 C ATOM 133 CG1 ILE A 9 8.006 -5.267 -8.410 1.00 0.00 C ATOM 134 CG2 ILE A 9 6.941 -6.811 -10.069 1.00 0.00 C ATOM 135 CD1 ILE A 9 7.369 -5.999 -7.226 1.00 0.00 C ATOM 0 H ILE A 9 7.149 -2.921 -9.499 1.00 0.00 H new ATOM 0 HA ILE A 9 8.792 -4.673 -10.850 1.00 0.00 H new ATOM 0 HB ILE A 9 6.135 -4.944 -9.483 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.984 -5.700 -8.620 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.170 -4.223 -8.145 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.519 -7.363 -9.229 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.264 -6.873 -10.921 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.905 -7.243 -10.339 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.021 -5.920 -6.356 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.403 -5.550 -6.998 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.229 -7.050 -7.480 1.00 0.00 H new ATOM 147 N PHE A 10 5.796 -4.570 -12.274 1.00 0.00 N ATOM 148 CA PHE A 10 5.052 -4.828 -13.497 1.00 0.00 C ATOM 149 C PHE A 10 5.760 -4.211 -14.711 1.00 0.00 C ATOM 150 O PHE A 10 6.105 -4.923 -15.654 1.00 0.00 O ATOM 151 CB PHE A 10 3.610 -4.330 -13.323 1.00 0.00 C ATOM 152 CG PHE A 10 2.799 -4.345 -14.597 1.00 0.00 C ATOM 153 CD1 PHE A 10 2.894 -3.264 -15.490 1.00 0.00 C ATOM 154 CD2 PHE A 10 1.993 -5.449 -14.922 1.00 0.00 C ATOM 155 CE1 PHE A 10 2.301 -3.348 -16.755 1.00 0.00 C ATOM 156 CE2 PHE A 10 1.365 -5.515 -16.175 1.00 0.00 C ATOM 157 CZ PHE A 10 1.548 -4.483 -17.103 1.00 0.00 C ATOM 0 H PHE A 10 5.212 -4.241 -11.505 1.00 0.00 H new ATOM 0 HA PHE A 10 5.012 -5.900 -13.691 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.110 -4.949 -12.578 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.632 -3.314 -12.930 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.424 -2.369 -15.200 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.857 -6.247 -14.207 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.422 -2.542 -17.463 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.741 -6.361 -16.423 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.110 -4.559 -18.087 1.00 0.00 H new ATOM 167 N GLU A 11 6.004 -2.896 -14.673 1.00 0.00 N ATOM 168 CA GLU A 11 6.706 -2.195 -15.738 1.00 0.00 C ATOM 169 C GLU A 11 8.070 -2.828 -16.026 1.00 0.00 C ATOM 170 O GLU A 11 8.420 -3.030 -17.184 1.00 0.00 O ATOM 171 CB GLU A 11 6.892 -0.715 -15.387 1.00 0.00 C ATOM 172 CG GLU A 11 5.574 0.059 -15.475 1.00 0.00 C ATOM 173 CD GLU A 11 5.765 1.535 -15.138 1.00 0.00 C ATOM 174 OE1 GLU A 11 6.451 1.808 -14.130 1.00 0.00 O ATOM 175 OE2 GLU A 11 5.198 2.366 -15.880 1.00 0.00 O ATOM 0 H GLU A 11 5.718 -2.294 -13.901 1.00 0.00 H new ATOM 0 HA GLU A 11 6.091 -2.277 -16.634 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.298 -0.628 -14.379 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.621 -0.270 -16.064 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.163 -0.035 -16.480 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.847 -0.380 -14.791 1.00 0.00 H new ATOM 182 N LYS A 12 8.861 -3.113 -14.989 1.00 0.00 N ATOM 183 CA LYS A 12 10.194 -3.677 -15.162 1.00 0.00 C ATOM 184 C LYS A 12 10.131 -5.021 -15.890 1.00 0.00 C ATOM 185 O LYS A 12 10.893 -5.237 -16.830 1.00 0.00 O ATOM 186 CB LYS A 12 10.911 -3.797 -13.811 1.00 0.00 C ATOM 187 CG LYS A 12 11.301 -2.415 -13.272 1.00 0.00 C ATOM 188 CD LYS A 12 11.767 -2.530 -11.816 1.00 0.00 C ATOM 189 CE LYS A 12 12.164 -1.168 -11.237 1.00 0.00 C ATOM 190 NZ LYS A 12 11.013 -0.250 -11.152 1.00 0.00 N ATOM 0 H LYS A 12 8.596 -2.960 -14.016 1.00 0.00 H new ATOM 0 HA LYS A 12 10.776 -2.998 -15.786 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.263 -4.301 -13.094 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.803 -4.413 -13.922 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.096 -1.988 -13.884 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.450 -1.737 -13.337 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.970 -2.963 -11.212 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.616 -3.211 -11.759 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.592 -1.306 -10.244 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.940 -0.721 -11.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.281 0.593 -10.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.726 0.036 -12.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.220 -0.731 -10.682 1.00 0.00 H new ATOM 204 N TYR A 13 9.237 -5.925 -15.482 1.00 0.00 N ATOM 205 CA TYR A 13 9.057 -7.176 -16.205 1.00 0.00 C ATOM 206 C TYR A 13 8.594 -6.917 -17.636 1.00 0.00 C ATOM 207 O TYR A 13 9.224 -7.386 -18.579 1.00 0.00 O ATOM 208 CB TYR A 13 8.108 -8.091 -15.441 1.00 0.00 C ATOM 209 CG TYR A 13 8.802 -8.798 -14.299 1.00 0.00 C ATOM 210 CD1 TYR A 13 9.472 -10.011 -14.535 1.00 0.00 C ATOM 211 CD2 TYR A 13 8.779 -8.260 -13.003 1.00 0.00 C ATOM 212 CE1 TYR A 13 10.125 -10.662 -13.479 1.00 0.00 C ATOM 213 CE2 TYR A 13 9.492 -8.879 -11.965 1.00 0.00 C ATOM 214 CZ TYR A 13 10.182 -10.076 -12.205 1.00 0.00 C ATOM 215 OH TYR A 13 10.770 -10.750 -11.176 1.00 0.00 O ATOM 0 H TYR A 13 8.636 -5.813 -14.665 1.00 0.00 H new ATOM 0 HA TYR A 13 10.017 -7.688 -16.277 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.274 -7.506 -15.053 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.688 -8.830 -16.124 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.484 -10.440 -15.526 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.209 -7.364 -12.803 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.588 -11.623 -13.647 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.509 -8.434 -10.981 1.00 0.00 H new ATOM 0 HH TYR A 13 10.591 -10.282 -10.334 1.00 0.00 H new ATOM 225 N ALA A 14 7.508 -6.163 -17.809 1.00 0.00 N ATOM 226 CA ALA A 14 7.000 -5.780 -19.121 1.00 0.00 C ATOM 227 C ALA A 14 8.120 -5.309 -20.056 1.00 0.00 C ATOM 228 O ALA A 14 8.290 -5.831 -21.151 1.00 0.00 O ATOM 229 CB ALA A 14 5.943 -4.694 -18.947 1.00 0.00 C ATOM 0 H ALA A 14 6.953 -5.799 -17.034 1.00 0.00 H new ATOM 0 HA ALA A 14 6.553 -6.657 -19.589 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.558 -4.402 -19.924 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.126 -5.076 -18.334 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.389 -3.827 -18.459 1.00 0.00 H new ATOM 235 N ALA A 15 8.922 -4.349 -19.600 1.00 0.00 N ATOM 236 CA ALA A 15 10.082 -3.815 -20.311 1.00 0.00 C ATOM 237 C ALA A 15 11.063 -4.873 -20.842 1.00 0.00 C ATOM 238 O ALA A 15 11.840 -4.563 -21.741 1.00 0.00 O ATOM 239 CB ALA A 15 10.805 -2.804 -19.419 1.00 0.00 C ATOM 0 H ALA A 15 8.777 -3.906 -18.693 1.00 0.00 H new ATOM 0 HA ALA A 15 9.691 -3.330 -21.205 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.670 -2.405 -19.948 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.126 -1.989 -19.168 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.135 -3.296 -18.504 1.00 0.00 H new ATOM 329 N GLN A 22 3.102 -4.318 -20.673 1.00 0.00 N ATOM 330 CA GLN A 22 2.250 -5.492 -20.792 1.00 0.00 C ATOM 331 C GLN A 22 3.042 -6.764 -20.508 1.00 0.00 C ATOM 332 O GLN A 22 4.229 -6.821 -20.816 1.00 0.00 O ATOM 333 CB GLN A 22 1.591 -5.527 -22.175 1.00 0.00 C ATOM 334 CG GLN A 22 0.071 -5.561 -22.013 1.00 0.00 C ATOM 335 CD GLN A 22 -0.651 -5.453 -23.352 1.00 0.00 C ATOM 336 OE1 GLN A 22 -0.052 -5.620 -24.410 1.00 0.00 O ATOM 337 NE2 GLN A 22 -1.948 -5.174 -23.327 1.00 0.00 N ATOM 0 HA GLN A 22 1.457 -5.433 -20.046 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.887 -4.651 -22.753 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.928 -6.403 -22.729 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.220 -6.488 -21.519 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.243 -4.742 -21.365 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.424 -5.040 -22.435 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.469 -5.094 -24.200 1.00 0.00 H new ATOM 346 N LEU A 23 2.384 -7.760 -19.904 1.00 0.00 N ATOM 347 CA LEU A 23 3.002 -9.030 -19.551 1.00 0.00 C ATOM 348 C LEU A 23 2.371 -10.173 -20.358 1.00 0.00 C ATOM 349 O LEU A 23 1.235 -10.563 -20.091 1.00 0.00 O ATOM 350 CB LEU A 23 2.837 -9.320 -18.051 1.00 0.00 C ATOM 351 CG LEU A 23 3.305 -8.219 -17.094 1.00 0.00 C ATOM 352 CD1 LEU A 23 2.831 -8.572 -15.686 1.00 0.00 C ATOM 353 CD2 LEU A 23 4.817 -8.084 -17.006 1.00 0.00 C ATOM 0 H LEU A 23 1.399 -7.700 -19.647 1.00 0.00 H new ATOM 0 HA LEU A 23 4.064 -8.961 -19.785 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.784 -9.520 -17.854 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.384 -10.233 -17.816 1.00 0.00 H new ATOM 0 HG LEU A 23 2.895 -7.286 -17.479 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.155 -7.799 -14.989 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.743 -8.639 -15.674 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.256 -9.530 -15.388 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.071 -7.285 -16.310 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.246 -9.022 -16.654 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.219 -7.848 -17.991 1.00 0.00 H new ATOM 365 N SER A 24 3.095 -10.739 -21.325 1.00 0.00 N ATOM 366 CA SER A 24 2.686 -11.979 -21.978 1.00 0.00 C ATOM 367 C SER A 24 2.729 -13.107 -20.947 1.00 0.00 C ATOM 368 O SER A 24 3.408 -12.953 -19.940 1.00 0.00 O ATOM 369 CB SER A 24 3.618 -12.292 -23.155 1.00 0.00 C ATOM 370 OG SER A 24 2.970 -13.185 -24.037 1.00 0.00 O ATOM 0 H SER A 24 3.973 -10.354 -21.673 1.00 0.00 H new ATOM 0 HA SER A 24 1.674 -11.877 -22.369 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.883 -11.373 -23.679 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.547 -12.731 -22.792 1.00 0.00 H new ATOM 0 HG SER A 24 2.373 -12.683 -24.630 1.00 0.00 H new ATOM 376 N LYS A 25 2.060 -14.238 -21.186 1.00 0.00 N ATOM 377 CA LYS A 25 2.015 -15.387 -20.277 1.00 0.00 C ATOM 378 C LYS A 25 3.349 -15.657 -19.590 1.00 0.00 C ATOM 379 O LYS A 25 3.398 -15.785 -18.372 1.00 0.00 O ATOM 380 CB LYS A 25 1.586 -16.651 -21.023 1.00 0.00 C ATOM 381 CG LYS A 25 0.136 -16.615 -21.518 1.00 0.00 C ATOM 382 CD LYS A 25 -0.174 -17.883 -22.326 1.00 0.00 C ATOM 383 CE LYS A 25 -1.630 -17.905 -22.810 1.00 0.00 C ATOM 384 NZ LYS A 25 -2.582 -18.109 -21.702 1.00 0.00 N ATOM 0 H LYS A 25 1.521 -14.384 -22.039 1.00 0.00 H new ATOM 0 HA LYS A 25 1.285 -15.130 -19.509 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.248 -16.800 -21.876 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.714 -17.511 -20.366 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.545 -16.539 -20.670 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.024 -15.732 -22.136 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.496 -17.941 -23.184 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.019 -18.762 -21.712 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.858 -16.966 -23.314 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.755 -18.700 -23.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.482 -18.467 -22.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.190 -18.799 -21.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.746 -17.205 -21.215 1.00 0.00 H new ATOM 398 N GLU A 26 4.428 -15.745 -20.361 1.00 0.00 N ATOM 399 CA GLU A 26 5.743 -16.024 -19.810 1.00 0.00 C ATOM 400 C GLU A 26 6.219 -14.862 -18.940 1.00 0.00 C ATOM 401 O GLU A 26 6.777 -15.080 -17.866 1.00 0.00 O ATOM 402 CB GLU A 26 6.736 -16.337 -20.935 1.00 0.00 C ATOM 403 CG GLU A 26 6.377 -17.647 -21.657 1.00 0.00 C ATOM 404 CD GLU A 26 5.171 -17.552 -22.592 1.00 0.00 C ATOM 405 OE1 GLU A 26 4.846 -16.417 -23.007 1.00 0.00 O ATOM 406 OE2 GLU A 26 4.580 -18.620 -22.860 1.00 0.00 O ATOM 0 H GLU A 26 4.414 -15.626 -21.374 1.00 0.00 H new ATOM 0 HA GLU A 26 5.679 -16.904 -19.171 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.745 -15.516 -21.652 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.742 -16.412 -20.523 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.241 -17.977 -22.234 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.180 -18.416 -20.910 1.00 0.00 H new ATOM 413 N GLU A 27 5.991 -13.624 -19.385 1.00 0.00 N ATOM 414 CA GLU A 27 6.414 -12.453 -18.635 1.00 0.00 C ATOM 415 C GLU A 27 5.646 -12.407 -17.312 1.00 0.00 C ATOM 416 O GLU A 27 6.232 -12.174 -16.257 1.00 0.00 O ATOM 417 CB GLU A 27 6.211 -11.196 -19.491 1.00 0.00 C ATOM 418 CG GLU A 27 7.050 -10.009 -19.000 1.00 0.00 C ATOM 419 CD GLU A 27 8.542 -10.261 -19.193 1.00 0.00 C ATOM 420 OE1 GLU A 27 8.962 -10.297 -20.370 1.00 0.00 O ATOM 421 OE2 GLU A 27 9.223 -10.451 -18.163 1.00 0.00 O ATOM 0 H GLU A 27 5.515 -13.413 -20.262 1.00 0.00 H new ATOM 0 HA GLU A 27 7.476 -12.503 -18.395 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.473 -11.419 -20.525 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.157 -10.920 -19.481 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.759 -9.108 -19.541 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.844 -9.828 -17.945 1.00 0.00 H new ATOM 428 N LEU A 28 4.339 -12.686 -17.368 1.00 0.00 N ATOM 429 CA LEU A 28 3.518 -12.841 -16.188 1.00 0.00 C ATOM 430 C LEU A 28 4.136 -13.924 -15.311 1.00 0.00 C ATOM 431 O LEU A 28 4.553 -13.610 -14.206 1.00 0.00 O ATOM 432 CB LEU A 28 2.053 -13.134 -16.550 1.00 0.00 C ATOM 433 CG LEU A 28 1.162 -13.026 -15.299 1.00 0.00 C ATOM 434 CD1 LEU A 28 0.801 -11.570 -14.987 1.00 0.00 C ATOM 435 CD2 LEU A 28 -0.119 -13.849 -15.422 1.00 0.00 C ATOM 0 H LEU A 28 3.830 -12.809 -18.243 1.00 0.00 H new ATOM 0 HA LEU A 28 3.494 -11.907 -15.627 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.711 -12.431 -17.310 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.970 -14.133 -16.979 1.00 0.00 H new ATOM 0 HG LEU A 28 1.752 -13.433 -14.478 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.172 -11.534 -14.098 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.712 -10.999 -14.810 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.262 -11.140 -15.831 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.711 -13.738 -14.514 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.697 -13.498 -16.277 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.136 -14.899 -15.563 1.00 0.00 H new ATOM 447 N LYS A 29 4.247 -15.172 -15.783 1.00 0.00 N ATOM 448 CA LYS A 29 4.803 -16.269 -14.994 1.00 0.00 C ATOM 449 C LYS A 29 6.107 -15.863 -14.297 1.00 0.00 C ATOM 450 O LYS A 29 6.316 -16.155 -13.118 1.00 0.00 O ATOM 451 CB LYS A 29 5.077 -17.467 -15.921 1.00 0.00 C ATOM 452 CG LYS A 29 5.560 -18.698 -15.144 1.00 0.00 C ATOM 453 CD LYS A 29 5.981 -19.835 -16.084 1.00 0.00 C ATOM 454 CE LYS A 29 6.464 -21.063 -15.301 1.00 0.00 C ATOM 455 NZ LYS A 29 5.397 -21.648 -14.467 1.00 0.00 N ATOM 0 H LYS A 29 3.954 -15.445 -16.721 1.00 0.00 H new ATOM 0 HA LYS A 29 4.078 -16.535 -14.225 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.168 -17.717 -16.468 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.827 -17.188 -16.661 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.402 -18.420 -14.509 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.765 -19.047 -14.485 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.140 -20.114 -16.718 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.776 -19.487 -16.744 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.831 -21.816 -15.999 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.304 -20.780 -14.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.707 -22.572 -14.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.193 -21.014 -13.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.537 -21.771 -15.039 1.00 0.00 H new ATOM 469 N LEU A 30 6.990 -15.218 -15.054 1.00 0.00 N ATOM 470 CA LEU A 30 8.356 -14.926 -14.662 1.00 0.00 C ATOM 471 C LEU A 30 8.360 -13.903 -13.538 1.00 0.00 C ATOM 472 O LEU A 30 9.249 -13.908 -12.691 1.00 0.00 O ATOM 473 CB LEU A 30 9.135 -14.430 -15.891 1.00 0.00 C ATOM 474 CG LEU A 30 10.628 -14.160 -15.647 1.00 0.00 C ATOM 475 CD1 LEU A 30 11.394 -15.450 -15.327 1.00 0.00 C ATOM 476 CD2 LEU A 30 11.233 -13.503 -16.893 1.00 0.00 C ATOM 0 H LEU A 30 6.762 -14.875 -15.987 1.00 0.00 H new ATOM 0 HA LEU A 30 8.845 -15.825 -14.288 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.040 -15.170 -16.686 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.669 -13.513 -16.252 1.00 0.00 H new ATOM 0 HG LEU A 30 10.715 -13.497 -14.786 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.446 -15.217 -15.161 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.978 -15.907 -14.429 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.304 -16.144 -16.163 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.292 -13.310 -16.724 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.117 -14.169 -17.748 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.720 -12.562 -17.094 1.00 0.00 H new ATOM 488 N LEU A 31 7.347 -13.041 -13.510 1.00 0.00 N ATOM 489 CA LEU A 31 7.163 -12.093 -12.448 1.00 0.00 C ATOM 490 C LEU A 31 6.537 -12.883 -11.308 1.00 0.00 C ATOM 491 O LEU A 31 7.088 -12.970 -10.220 1.00 0.00 O ATOM 492 CB LEU A 31 6.309 -10.965 -13.041 1.00 0.00 C ATOM 493 CG LEU A 31 5.921 -9.828 -12.095 1.00 0.00 C ATOM 494 CD1 LEU A 31 5.156 -8.775 -12.903 1.00 0.00 C ATOM 495 CD2 LEU A 31 4.995 -10.355 -11.013 1.00 0.00 C ATOM 0 H LEU A 31 6.632 -12.991 -14.236 1.00 0.00 H new ATOM 0 HA LEU A 31 8.058 -11.619 -12.046 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.850 -10.536 -13.885 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.394 -11.404 -13.439 1.00 0.00 H new ATOM 0 HG LEU A 31 6.817 -9.406 -11.641 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.868 -7.952 -12.248 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.793 -8.397 -13.703 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.262 -9.226 -13.334 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.721 -9.542 -10.341 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.096 -10.765 -11.472 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.503 -11.137 -10.448 1.00 0.00 H new ATOM 507 N LEU A 32 5.382 -13.476 -11.584 1.00 0.00 N ATOM 508 CA LEU A 32 4.492 -14.121 -10.647 1.00 0.00 C ATOM 509 C LEU A 32 5.242 -15.035 -9.688 1.00 0.00 C ATOM 510 O LEU A 32 5.217 -14.816 -8.479 1.00 0.00 O ATOM 511 CB LEU A 32 3.427 -14.882 -11.463 1.00 0.00 C ATOM 512 CG LEU A 32 2.122 -14.126 -11.737 1.00 0.00 C ATOM 513 CD1 LEU A 32 1.224 -14.356 -10.542 1.00 0.00 C ATOM 514 CD2 LEU A 32 2.234 -12.616 -11.958 1.00 0.00 C ATOM 0 H LEU A 32 5.024 -13.518 -12.538 1.00 0.00 H new ATOM 0 HA LEU A 32 4.010 -13.375 -10.015 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.866 -15.167 -12.419 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.185 -15.805 -10.936 1.00 0.00 H new ATOM 0 HG LEU A 32 1.743 -14.517 -12.681 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.279 -13.835 -10.692 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.036 -15.424 -10.428 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.710 -13.976 -9.643 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.243 -12.201 -12.141 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.665 -12.150 -11.072 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.874 -12.421 -12.818 1.00 0.00 H new ATOM 526 N GLN A 33 5.912 -16.047 -10.233 1.00 0.00 N ATOM 527 CA GLN A 33 6.632 -17.032 -9.439 1.00 0.00 C ATOM 528 C GLN A 33 7.646 -16.327 -8.537 1.00 0.00 C ATOM 529 O GLN A 33 7.744 -16.624 -7.351 1.00 0.00 O ATOM 530 CB GLN A 33 7.321 -18.036 -10.374 1.00 0.00 C ATOM 531 CG GLN A 33 6.486 -19.300 -10.622 1.00 0.00 C ATOM 532 CD GLN A 33 5.039 -19.074 -11.064 1.00 0.00 C ATOM 533 OE1 GLN A 33 4.128 -19.738 -10.587 1.00 0.00 O ATOM 534 NE2 GLN A 33 4.791 -18.158 -11.992 1.00 0.00 N ATOM 0 H GLN A 33 5.970 -16.205 -11.239 1.00 0.00 H new ATOM 0 HA GLN A 33 5.936 -17.578 -8.802 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.528 -17.552 -11.328 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.282 -18.321 -9.946 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.987 -19.899 -11.382 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.477 -19.890 -9.706 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.556 -17.609 -12.384 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.835 -18.003 -12.313 1.00 0.00 H new ATOM 543 N THR A 34 8.397 -15.397 -9.120 1.00 0.00 N ATOM 544 CA THR A 34 9.474 -14.695 -8.442 1.00 0.00 C ATOM 545 C THR A 34 8.948 -13.811 -7.308 1.00 0.00 C ATOM 546 O THR A 34 9.479 -13.851 -6.200 1.00 0.00 O ATOM 547 CB THR A 34 10.280 -13.894 -9.477 1.00 0.00 C ATOM 548 OG1 THR A 34 10.658 -14.771 -10.519 1.00 0.00 O ATOM 549 CG2 THR A 34 11.549 -13.286 -8.875 1.00 0.00 C ATOM 0 H THR A 34 8.270 -15.108 -10.090 1.00 0.00 H new ATOM 0 HA THR A 34 10.136 -15.422 -7.971 1.00 0.00 H new ATOM 0 HB THR A 34 9.653 -13.079 -9.838 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.275 -14.458 -11.365 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.086 -12.729 -9.643 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.279 -12.613 -8.061 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.187 -14.082 -8.491 1.00 0.00 H new ATOM 557 N GLU A 35 7.933 -12.986 -7.579 1.00 0.00 N ATOM 558 CA GLU A 35 7.471 -11.976 -6.642 1.00 0.00 C ATOM 559 C GLU A 35 6.509 -12.577 -5.615 1.00 0.00 C ATOM 560 O GLU A 35 6.521 -12.162 -4.457 1.00 0.00 O ATOM 561 CB GLU A 35 6.822 -10.813 -7.404 1.00 0.00 C ATOM 562 CG GLU A 35 7.730 -10.198 -8.484 1.00 0.00 C ATOM 563 CD GLU A 35 9.069 -9.689 -7.960 1.00 0.00 C ATOM 564 OE1 GLU A 35 9.070 -9.085 -6.865 1.00 0.00 O ATOM 565 OE2 GLU A 35 10.068 -9.894 -8.684 1.00 0.00 O ATOM 0 H GLU A 35 7.413 -13.005 -8.456 1.00 0.00 H new ATOM 0 HA GLU A 35 8.329 -11.590 -6.092 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.903 -11.165 -7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.541 -10.036 -6.693 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.915 -10.945 -9.256 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.201 -9.372 -8.960 1.00 0.00 H new ATOM 572 N PHE A 36 5.671 -13.536 -6.024 1.00 0.00 N ATOM 573 CA PHE A 36 4.608 -14.088 -5.191 1.00 0.00 C ATOM 574 C PHE A 36 4.740 -15.617 -5.084 1.00 0.00 C ATOM 575 O PHE A 36 3.816 -16.331 -5.476 1.00 0.00 O ATOM 576 CB PHE A 36 3.255 -13.651 -5.787 1.00 0.00 C ATOM 577 CG PHE A 36 3.186 -12.193 -6.229 1.00 0.00 C ATOM 578 CD1 PHE A 36 3.593 -11.158 -5.365 1.00 0.00 C ATOM 579 CD2 PHE A 36 2.829 -11.882 -7.556 1.00 0.00 C ATOM 580 CE1 PHE A 36 3.724 -9.844 -5.849 1.00 0.00 C ATOM 581 CE2 PHE A 36 2.919 -10.562 -8.028 1.00 0.00 C ATOM 582 CZ PHE A 36 3.409 -9.551 -7.187 1.00 0.00 C ATOM 0 H PHE A 36 5.716 -13.952 -6.954 1.00 0.00 H new ATOM 0 HA PHE A 36 4.681 -13.707 -4.172 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.031 -14.286 -6.644 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.475 -13.828 -5.047 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.805 -11.374 -4.328 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.483 -12.664 -8.215 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.067 -9.059 -5.192 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.612 -10.326 -9.036 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.544 -8.549 -7.567 1.00 0.00 H new ATOM 726 N LEU A 46 -0.952 -21.699 -14.691 1.00 0.00 N ATOM 727 CA LEU A 46 -0.663 -20.396 -15.273 1.00 0.00 C ATOM 728 C LEU A 46 -1.700 -20.061 -16.335 1.00 0.00 C ATOM 729 O LEU A 46 -2.176 -18.936 -16.386 1.00 0.00 O ATOM 730 CB LEU A 46 0.728 -20.374 -15.918 1.00 0.00 C ATOM 731 CG LEU A 46 1.049 -19.008 -16.568 1.00 0.00 C ATOM 732 CD1 LEU A 46 1.484 -17.988 -15.510 1.00 0.00 C ATOM 733 CD2 LEU A 46 2.145 -19.209 -17.617 1.00 0.00 C ATOM 0 HA LEU A 46 -0.693 -19.659 -14.471 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.480 -20.601 -15.163 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.789 -21.157 -16.674 1.00 0.00 H new ATOM 0 HG LEU A 46 0.154 -18.614 -17.048 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.704 -17.035 -15.992 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.682 -17.851 -14.785 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.376 -18.351 -15.000 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.382 -18.253 -18.084 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.038 -19.610 -17.138 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.797 -19.908 -18.378 1.00 0.00 H new ATOM 745 N ASP A 47 -2.027 -21.013 -17.207 1.00 0.00 N ATOM 746 CA ASP A 47 -2.944 -20.764 -18.302 1.00 0.00 C ATOM 747 C ASP A 47 -4.307 -20.335 -17.760 1.00 0.00 C ATOM 748 O ASP A 47 -4.884 -19.351 -18.222 1.00 0.00 O ATOM 749 CB ASP A 47 -3.053 -22.025 -19.158 1.00 0.00 C ATOM 750 CG ASP A 47 -3.944 -21.768 -20.367 1.00 0.00 C ATOM 751 OD1 ASP A 47 -3.496 -20.994 -21.242 1.00 0.00 O ATOM 752 OD2 ASP A 47 -5.056 -22.338 -20.387 1.00 0.00 O ATOM 0 H ASP A 47 -1.665 -21.966 -17.170 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.569 -19.952 -18.925 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.062 -22.336 -19.488 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.462 -22.842 -18.564 1.00 0.00 H new ATOM 757 N GLU A 48 -4.796 -21.064 -16.754 1.00 0.00 N ATOM 758 CA GLU A 48 -6.062 -20.769 -16.103 1.00 0.00 C ATOM 759 C GLU A 48 -5.998 -19.372 -15.488 1.00 0.00 C ATOM 760 O GLU A 48 -6.825 -18.518 -15.799 1.00 0.00 O ATOM 761 CB GLU A 48 -6.375 -21.835 -15.044 1.00 0.00 C ATOM 762 CG GLU A 48 -6.450 -23.242 -15.650 1.00 0.00 C ATOM 763 CD GLU A 48 -6.825 -24.274 -14.593 1.00 0.00 C ATOM 764 OE1 GLU A 48 -5.907 -24.677 -13.846 1.00 0.00 O ATOM 765 OE2 GLU A 48 -8.021 -24.632 -14.544 1.00 0.00 O ATOM 0 H GLU A 48 -4.317 -21.879 -16.370 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.868 -20.788 -16.836 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.607 -21.814 -14.270 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.322 -21.598 -14.560 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.186 -23.256 -16.454 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.489 -23.503 -16.093 1.00 0.00 H new ATOM 772 N LEU A 49 -4.988 -19.135 -14.643 1.00 0.00 N ATOM 773 CA LEU A 49 -4.773 -17.844 -14.009 1.00 0.00 C ATOM 774 C LEU A 49 -4.796 -16.740 -15.065 1.00 0.00 C ATOM 775 O LEU A 49 -5.596 -15.816 -14.973 1.00 0.00 O ATOM 776 CB LEU A 49 -3.455 -17.865 -13.219 1.00 0.00 C ATOM 777 CG LEU A 49 -3.096 -16.512 -12.576 1.00 0.00 C ATOM 778 CD1 LEU A 49 -4.174 -16.037 -11.593 1.00 0.00 C ATOM 779 CD2 LEU A 49 -1.759 -16.642 -11.839 1.00 0.00 C ATOM 0 H LEU A 49 -4.298 -19.840 -14.384 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.575 -17.637 -13.301 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.522 -18.622 -12.438 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.647 -18.166 -13.886 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.025 -15.772 -13.373 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.879 -15.080 -11.164 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.121 -15.922 -12.120 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.289 -16.772 -10.796 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.501 -15.687 -11.382 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.843 -17.404 -11.064 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.980 -16.928 -12.546 1.00 0.00 H new ATOM 791 N PHE A 50 -3.945 -16.853 -16.087 1.00 0.00 N ATOM 792 CA PHE A 50 -3.870 -15.914 -17.191 1.00 0.00 C ATOM 793 C PHE A 50 -5.248 -15.673 -17.801 1.00 0.00 C ATOM 794 O PHE A 50 -5.633 -14.526 -17.990 1.00 0.00 O ATOM 795 CB PHE A 50 -2.880 -16.409 -18.252 1.00 0.00 C ATOM 796 CG PHE A 50 -2.326 -15.298 -19.118 1.00 0.00 C ATOM 797 CD1 PHE A 50 -1.164 -14.626 -18.704 1.00 0.00 C ATOM 798 CD2 PHE A 50 -2.917 -14.966 -20.351 1.00 0.00 C ATOM 799 CE1 PHE A 50 -0.617 -13.600 -19.488 1.00 0.00 C ATOM 800 CE2 PHE A 50 -2.299 -14.018 -21.186 1.00 0.00 C ATOM 801 CZ PHE A 50 -1.160 -13.322 -20.747 1.00 0.00 C ATOM 0 H PHE A 50 -3.277 -17.620 -16.165 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.508 -14.962 -16.803 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.054 -16.921 -17.758 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.376 -17.143 -18.887 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.688 -14.902 -17.775 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.840 -15.437 -20.655 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.221 -13.026 -19.121 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.702 -13.824 -22.169 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.705 -12.574 -21.380 1.00 0.00 H new ATOM 811 N GLU A 51 -6.004 -16.732 -18.098 1.00 0.00 N ATOM 812 CA GLU A 51 -7.338 -16.593 -18.668 1.00 0.00 C ATOM 813 C GLU A 51 -8.263 -15.804 -17.732 1.00 0.00 C ATOM 814 O GLU A 51 -9.003 -14.926 -18.171 1.00 0.00 O ATOM 815 CB GLU A 51 -7.899 -17.985 -19.001 1.00 0.00 C ATOM 816 CG GLU A 51 -9.198 -17.925 -19.819 1.00 0.00 C ATOM 817 CD GLU A 51 -8.995 -17.280 -21.189 1.00 0.00 C ATOM 818 OE1 GLU A 51 -8.185 -17.838 -21.960 1.00 0.00 O ATOM 819 OE2 GLU A 51 -9.654 -16.248 -21.437 1.00 0.00 O ATOM 0 H GLU A 51 -5.710 -17.698 -17.951 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.276 -16.019 -19.593 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.151 -18.549 -19.557 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.084 -18.528 -18.074 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.588 -18.934 -19.950 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.948 -17.363 -19.263 1.00 0.00 H new ATOM 826 N GLU A 52 -8.225 -16.121 -16.438 1.00 0.00 N ATOM 827 CA GLU A 52 -9.074 -15.488 -15.432 1.00 0.00 C ATOM 828 C GLU A 52 -8.687 -14.017 -15.240 1.00 0.00 C ATOM 829 O GLU A 52 -9.533 -13.166 -14.979 1.00 0.00 O ATOM 830 CB GLU A 52 -8.941 -16.251 -14.107 1.00 0.00 C ATOM 831 CG GLU A 52 -9.538 -17.663 -14.189 1.00 0.00 C ATOM 832 CD GLU A 52 -9.132 -18.497 -12.978 1.00 0.00 C ATOM 833 OE1 GLU A 52 -9.672 -18.208 -11.888 1.00 0.00 O ATOM 834 OE2 GLU A 52 -8.281 -19.394 -13.157 1.00 0.00 O ATOM 0 H GLU A 52 -7.599 -16.830 -16.057 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.110 -15.521 -15.769 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.888 -16.319 -13.833 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.441 -15.692 -13.316 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.625 -17.600 -14.244 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.200 -18.152 -15.102 1.00 0.00 H new ATOM 841 N LEU A 53 -7.390 -13.740 -15.316 1.00 0.00 N ATOM 842 CA LEU A 53 -6.775 -12.455 -15.040 1.00 0.00 C ATOM 843 C LEU A 53 -6.953 -11.525 -16.246 1.00 0.00 C ATOM 844 O LEU A 53 -7.495 -10.425 -16.138 1.00 0.00 O ATOM 845 CB LEU A 53 -5.299 -12.764 -14.744 1.00 0.00 C ATOM 846 CG LEU A 53 -4.429 -11.677 -14.109 1.00 0.00 C ATOM 847 CD1 LEU A 53 -3.001 -12.241 -14.064 1.00 0.00 C ATOM 848 CD2 LEU A 53 -4.449 -10.344 -14.860 1.00 0.00 C ATOM 0 H LEU A 53 -6.706 -14.447 -15.587 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.228 -11.937 -14.195 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.270 -13.634 -14.089 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.829 -13.056 -15.683 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.822 -11.444 -13.119 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.333 -11.504 -13.618 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.988 -13.152 -13.465 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.667 -12.468 -15.077 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.808 -9.627 -14.346 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.085 -10.493 -15.876 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.469 -9.960 -14.893 1.00 0.00 H new ATOM 860 N ASP A 54 -6.481 -11.970 -17.410 1.00 0.00 N ATOM 861 CA ASP A 54 -6.320 -11.183 -18.623 1.00 0.00 C ATOM 862 C ASP A 54 -7.634 -11.012 -19.393 1.00 0.00 C ATOM 863 O ASP A 54 -7.685 -11.230 -20.602 1.00 0.00 O ATOM 864 CB ASP A 54 -5.269 -11.879 -19.500 1.00 0.00 C ATOM 865 CG ASP A 54 -4.706 -10.972 -20.585 1.00 0.00 C ATOM 866 OD1 ASP A 54 -5.085 -9.784 -20.610 1.00 0.00 O ATOM 867 OD2 ASP A 54 -3.900 -11.485 -21.387 1.00 0.00 O ATOM 0 H ASP A 54 -6.187 -12.939 -17.534 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.997 -10.178 -18.350 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.453 -12.232 -18.869 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.716 -12.758 -19.964 1.00 0.00 H new ATOM 872 N LYS A 55 -8.699 -10.622 -18.694 1.00 0.00 N ATOM 873 CA LYS A 55 -10.052 -10.614 -19.238 1.00 0.00 C ATOM 874 C LYS A 55 -10.179 -9.788 -20.521 1.00 0.00 C ATOM 875 O LYS A 55 -10.918 -10.172 -21.424 1.00 0.00 O ATOM 876 CB LYS A 55 -11.041 -10.111 -18.178 1.00 0.00 C ATOM 877 CG LYS A 55 -11.150 -11.023 -16.945 1.00 0.00 C ATOM 878 CD LYS A 55 -11.544 -12.477 -17.256 1.00 0.00 C ATOM 879 CE LYS A 55 -12.801 -12.622 -18.122 1.00 0.00 C ATOM 880 NZ LYS A 55 -13.968 -11.960 -17.511 1.00 0.00 N ATOM 0 H LYS A 55 -8.644 -10.301 -17.727 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.291 -11.643 -19.508 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.737 -9.115 -17.855 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.027 -10.012 -18.633 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.192 -11.023 -16.424 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.885 -10.600 -16.260 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.711 -12.966 -17.761 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.702 -13.007 -16.316 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.615 -12.194 -19.107 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.020 -13.679 -18.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.812 -12.138 -18.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.120 -12.338 -16.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.796 -10.936 -17.455 1.00 0.00 H new ATOM 923 N GLY A 59 -4.182 -12.429 -23.969 1.00 0.00 N ATOM 924 CA GLY A 59 -2.954 -12.579 -24.732 1.00 0.00 C ATOM 925 C GLY A 59 -1.808 -11.873 -24.015 1.00 0.00 C ATOM 926 O GLY A 59 -0.735 -12.450 -23.848 1.00 0.00 O ATOM 0 HA2 GLY A 59 -2.720 -13.636 -24.857 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.083 -12.161 -25.730 1.00 0.00 H new ATOM 930 N GLU A 60 -2.048 -10.636 -23.568 1.00 0.00 N ATOM 931 CA GLU A 60 -1.087 -9.817 -22.846 1.00 0.00 C ATOM 932 C GLU A 60 -1.788 -9.139 -21.665 1.00 0.00 C ATOM 933 O GLU A 60 -2.810 -8.489 -21.860 1.00 0.00 O ATOM 934 CB GLU A 60 -0.541 -8.740 -23.794 1.00 0.00 C ATOM 935 CG GLU A 60 0.155 -9.282 -25.050 1.00 0.00 C ATOM 936 CD GLU A 60 1.434 -10.036 -24.715 1.00 0.00 C ATOM 937 OE1 GLU A 60 2.224 -9.477 -23.924 1.00 0.00 O ATOM 938 OE2 GLU A 60 1.607 -11.152 -25.253 1.00 0.00 O ATOM 0 H GLU A 60 -2.944 -10.169 -23.706 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.271 -10.439 -22.479 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.364 -8.095 -24.101 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.165 -8.116 -23.245 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.526 -9.944 -25.584 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.387 -8.455 -25.721 1.00 0.00 H new ATOM 945 N VAL A 61 -1.225 -9.245 -20.458 1.00 0.00 N ATOM 946 CA VAL A 61 -1.816 -8.703 -19.242 1.00 0.00 C ATOM 947 C VAL A 61 -1.369 -7.253 -19.084 1.00 0.00 C ATOM 948 O VAL A 61 -0.182 -6.979 -18.903 1.00 0.00 O ATOM 949 CB VAL A 61 -1.391 -9.558 -18.033 1.00 0.00 C ATOM 950 CG1 VAL A 61 -1.747 -8.893 -16.696 1.00 0.00 C ATOM 951 CG2 VAL A 61 -2.105 -10.906 -18.091 1.00 0.00 C ATOM 0 H VAL A 61 -0.334 -9.717 -20.301 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.904 -8.729 -19.302 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.309 -9.675 -18.086 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.427 -9.534 -15.874 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.242 -7.930 -16.623 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.825 -8.742 -16.640 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.806 -11.513 -17.237 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.183 -10.748 -18.064 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.836 -11.421 -19.014 1.00 0.00 H new ATOM 961 N SER A 62 -2.331 -6.332 -19.161 1.00 0.00 N ATOM 962 CA SER A 62 -2.130 -4.899 -18.999 1.00 0.00 C ATOM 963 C SER A 62 -2.150 -4.533 -17.515 1.00 0.00 C ATOM 964 O SER A 62 -2.753 -5.254 -16.723 1.00 0.00 O ATOM 965 CB SER A 62 -3.223 -4.158 -19.779 1.00 0.00 C ATOM 966 OG SER A 62 -3.502 -4.831 -20.996 1.00 0.00 O ATOM 0 H SER A 62 -3.304 -6.576 -19.344 1.00 0.00 H new ATOM 0 HA SER A 62 -1.158 -4.605 -19.394 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.129 -4.093 -19.176 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.903 -3.137 -19.985 1.00 0.00 H new ATOM 0 HG SER A 62 -4.124 -5.569 -20.827 1.00 0.00 H new ATOM 972 N PHE A 63 -1.531 -3.413 -17.122 1.00 0.00 N ATOM 973 CA PHE A 63 -1.479 -3.015 -15.712 1.00 0.00 C ATOM 974 C PHE A 63 -2.880 -2.924 -15.088 1.00 0.00 C ATOM 975 O PHE A 63 -3.074 -3.192 -13.904 1.00 0.00 O ATOM 976 CB PHE A 63 -0.714 -1.698 -15.528 1.00 0.00 C ATOM 977 CG PHE A 63 -0.501 -1.344 -14.066 1.00 0.00 C ATOM 978 CD1 PHE A 63 0.236 -2.213 -13.239 1.00 0.00 C ATOM 979 CD2 PHE A 63 -1.175 -0.249 -13.493 1.00 0.00 C ATOM 980 CE1 PHE A 63 0.241 -2.035 -11.844 1.00 0.00 C ATOM 981 CE2 PHE A 63 -1.144 -0.052 -12.100 1.00 0.00 C ATOM 982 CZ PHE A 63 -0.456 -0.958 -11.273 1.00 0.00 C ATOM 0 H PHE A 63 -1.061 -2.769 -17.759 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.935 -3.798 -15.184 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.254 -1.772 -16.025 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.262 -0.893 -16.017 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.801 -3.021 -13.679 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.717 0.441 -14.123 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.780 -2.726 -11.213 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.650 0.797 -11.665 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.464 -0.826 -10.201 1.00 0.00 H new ATOM 992 N GLU A 64 -3.876 -2.555 -15.893 1.00 0.00 N ATOM 993 CA GLU A 64 -5.276 -2.533 -15.494 1.00 0.00 C ATOM 994 C GLU A 64 -5.716 -3.911 -15.006 1.00 0.00 C ATOM 995 O GLU A 64 -6.390 -4.040 -13.988 1.00 0.00 O ATOM 996 CB GLU A 64 -6.153 -2.056 -16.664 1.00 0.00 C ATOM 997 CG GLU A 64 -5.881 -0.603 -17.095 1.00 0.00 C ATOM 998 CD GLU A 64 -4.527 -0.377 -17.766 1.00 0.00 C ATOM 999 OE1 GLU A 64 -4.009 -1.350 -18.363 1.00 0.00 O ATOM 1000 OE2 GLU A 64 -4.012 0.754 -17.642 1.00 0.00 O ATOM 0 H GLU A 64 -3.726 -2.258 -16.857 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.395 -1.831 -14.668 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.992 -2.714 -17.518 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.202 -2.151 -16.382 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.668 -0.289 -17.781 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.948 0.040 -16.217 1.00 0.00 H new ATOM 1007 N GLU A 65 -5.319 -4.947 -15.739 1.00 0.00 N ATOM 1008 CA GLU A 65 -5.671 -6.319 -15.434 1.00 0.00 C ATOM 1009 C GLU A 65 -4.787 -6.803 -14.284 1.00 0.00 C ATOM 1010 O GLU A 65 -5.245 -7.481 -13.365 1.00 0.00 O ATOM 1011 CB GLU A 65 -5.517 -7.148 -16.712 1.00 0.00 C ATOM 1012 CG GLU A 65 -6.420 -6.575 -17.818 1.00 0.00 C ATOM 1013 CD GLU A 65 -6.122 -7.200 -19.169 1.00 0.00 C ATOM 1014 OE1 GLU A 65 -5.059 -6.852 -19.733 1.00 0.00 O ATOM 1015 OE2 GLU A 65 -6.980 -7.992 -19.615 1.00 0.00 O ATOM 0 H GLU A 65 -4.737 -4.850 -16.571 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.705 -6.419 -15.105 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.477 -7.140 -17.038 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.781 -8.187 -16.516 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.465 -6.748 -17.560 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.281 -5.496 -17.878 1.00 0.00 H new ATOM 1022 N PHE A 66 -3.515 -6.404 -14.293 1.00 0.00 N ATOM 1023 CA PHE A 66 -2.601 -6.742 -13.220 1.00 0.00 C ATOM 1024 C PHE A 66 -3.106 -6.193 -11.887 1.00 0.00 C ATOM 1025 O PHE A 66 -2.998 -6.863 -10.874 1.00 0.00 O ATOM 1026 CB PHE A 66 -1.187 -6.263 -13.526 1.00 0.00 C ATOM 1027 CG PHE A 66 -0.150 -6.850 -12.592 1.00 0.00 C ATOM 1028 CD1 PHE A 66 0.457 -8.089 -12.877 1.00 0.00 C ATOM 1029 CD2 PHE A 66 0.222 -6.145 -11.436 1.00 0.00 C ATOM 1030 CE1 PHE A 66 1.541 -8.533 -12.103 1.00 0.00 C ATOM 1031 CE2 PHE A 66 1.304 -6.587 -10.663 1.00 0.00 C ATOM 1032 CZ PHE A 66 1.986 -7.762 -11.016 1.00 0.00 C ATOM 0 H PHE A 66 -3.100 -5.844 -15.038 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.561 -7.828 -13.138 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.934 -6.527 -14.553 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.155 -5.176 -13.459 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.089 -8.697 -13.690 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.326 -5.262 -11.143 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.032 -9.465 -12.343 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.613 -6.023 -9.795 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.853 -8.073 -10.452 1.00 0.00 H new ATOM 1042 N GLN A 67 -3.706 -5.005 -11.846 1.00 0.00 N ATOM 1043 CA GLN A 67 -4.350 -4.539 -10.621 1.00 0.00 C ATOM 1044 C GLN A 67 -5.418 -5.521 -10.120 1.00 0.00 C ATOM 1045 O GLN A 67 -5.563 -5.689 -8.912 1.00 0.00 O ATOM 1046 CB GLN A 67 -4.910 -3.131 -10.819 1.00 0.00 C ATOM 1047 CG GLN A 67 -3.765 -2.113 -10.784 1.00 0.00 C ATOM 1048 CD GLN A 67 -4.194 -0.798 -11.413 1.00 0.00 C ATOM 1049 OE1 GLN A 67 -4.525 0.161 -10.726 1.00 0.00 O ATOM 1050 NE2 GLN A 67 -4.183 -0.754 -12.739 1.00 0.00 N ATOM 0 H GLN A 67 -3.760 -4.358 -12.632 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.593 -4.493 -9.838 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.437 -3.069 -11.771 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.636 -2.904 -10.038 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.454 -1.944 -9.753 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.901 -2.512 -11.316 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.901 -1.575 -13.274 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.457 0.101 -13.223 1.00 0.00 H new ATOM 1059 N VAL A 68 -6.139 -6.213 -11.009 1.00 0.00 N ATOM 1060 CA VAL A 68 -7.024 -7.295 -10.577 1.00 0.00 C ATOM 1061 C VAL A 68 -6.178 -8.416 -9.957 1.00 0.00 C ATOM 1062 O VAL A 68 -6.497 -8.923 -8.879 1.00 0.00 O ATOM 1063 CB VAL A 68 -7.926 -7.799 -11.720 1.00 0.00 C ATOM 1064 CG1 VAL A 68 -9.032 -8.705 -11.160 1.00 0.00 C ATOM 1065 CG2 VAL A 68 -8.597 -6.638 -12.467 1.00 0.00 C ATOM 0 H VAL A 68 -6.127 -6.046 -12.015 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.708 -6.914 -9.818 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.288 -8.349 -12.411 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.663 -9.055 -11.976 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.582 -9.561 -10.657 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.637 -8.143 -10.449 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.225 -7.034 -13.266 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.211 -6.065 -11.772 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.832 -5.990 -12.894 1.00 0.00 H new ATOM 1075 N LEU A 69 -5.065 -8.779 -10.605 1.00 0.00 N ATOM 1076 CA LEU A 69 -4.080 -9.686 -10.017 1.00 0.00 C ATOM 1077 C LEU A 69 -3.667 -9.201 -8.619 1.00 0.00 C ATOM 1078 O LEU A 69 -3.598 -10.009 -7.699 1.00 0.00 O ATOM 1079 CB LEU A 69 -2.903 -9.934 -10.989 1.00 0.00 C ATOM 1080 CG LEU A 69 -1.880 -11.024 -10.624 1.00 0.00 C ATOM 1081 CD1 LEU A 69 -0.769 -10.473 -9.724 1.00 0.00 C ATOM 1082 CD2 LEU A 69 -2.521 -12.296 -10.057 1.00 0.00 C ATOM 0 H LEU A 69 -4.826 -8.455 -11.542 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.531 -10.667 -9.864 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.322 -10.183 -11.964 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.362 -8.995 -11.105 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.415 -11.334 -11.560 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.065 -11.270 -9.486 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.246 -9.669 -10.242 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.205 -10.087 -8.803 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.743 -13.022 -9.821 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.075 -12.051 -9.151 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.202 -12.721 -10.795 1.00 0.00 H new ATOM 1094 N VAL A 70 -3.454 -7.895 -8.414 1.00 0.00 N ATOM 1095 CA VAL A 70 -3.097 -7.354 -7.106 1.00 0.00 C ATOM 1096 C VAL A 70 -4.152 -7.700 -6.043 1.00 0.00 C ATOM 1097 O VAL A 70 -3.808 -7.973 -4.890 1.00 0.00 O ATOM 1098 CB VAL A 70 -2.741 -5.858 -7.132 1.00 0.00 C ATOM 1099 CG1 VAL A 70 -2.366 -5.414 -5.710 1.00 0.00 C ATOM 1100 CG2 VAL A 70 -1.527 -5.596 -8.037 1.00 0.00 C ATOM 0 H VAL A 70 -3.525 -7.191 -9.149 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.173 -7.852 -6.813 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.602 -5.308 -7.511 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.111 -4.354 -5.715 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.211 -5.581 -5.042 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.509 -5.991 -5.363 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.297 -4.531 -8.037 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.668 -6.153 -7.663 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.754 -5.918 -9.053 1.00 0.00 H new