USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 582 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 51 MET CE :methyl 176:sc= 0 (180deg=0) USER MOD Set 1.2: A 71 MET CE :methyl 158:sc= -1.09 (180deg=-1.66) USER MOD Set 1.3: A 75 LYS NZ :NH3+ -146:sc=-0.000425 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -172:sc= -0.194 (180deg=-0.336) USER MOD Single : A 3 GLN : amide:sc= -0.298 K(o=-0.3,f=-2.4!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.276 K(o=-0.28,f=-0.87) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -164:sc=-0.00377 (180deg=-0.653) USER MOD Single : A 26 THR OG1 : rot 39:sc= -1.81! USER MOD Single : A 28 THR OG1 : rot 105:sc= 0.046 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.181 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 72:sc= 0.71 USER MOD Single : A 36 MET CE :methyl 162:sc= -0.0706 (180deg=-0.0943) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc=-0.000119 K(o=-0.00012,f=-1.3!) USER MOD Single : A 42 ASN : amide:sc= -0.193 X(o=-0.19,f=-0.039) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0393 USER MOD Single : A 49 GLN : amide:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 53 ASN : amide:sc=-0.00802 X(o=-0.008,f=0.00043) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -19.270 6.589 -1.027 1.00 5.02 N ATOM 2 CA ALA A 1 -19.769 5.278 -0.650 1.00 4.66 C ATOM 3 C ALA A 1 -20.340 5.344 0.769 1.00 3.59 C ATOM 4 O ALA A 1 -20.984 4.401 1.226 1.00 4.06 O ATOM 5 CB ALA A 1 -18.647 4.247 -0.779 1.00 5.10 C ATOM 0 H1 ALA A 1 -19.006 6.584 -2.033 1.00 5.02 H new ATOM 0 H2 ALA A 1 -20.010 7.302 -0.867 1.00 5.02 H new ATOM 0 H3 ALA A 1 -18.435 6.821 -0.452 1.00 5.02 H new ATOM 0 HA ALA A 1 -20.574 4.968 -1.316 1.00 4.66 H new ATOM 0 HB1 ALA A 1 -19.022 3.264 -0.496 1.00 5.10 H new ATOM 0 HB2 ALA A 1 -18.296 4.218 -1.811 1.00 5.10 H new ATOM 0 HB3 ALA A 1 -17.822 4.523 -0.123 1.00 5.10 H new ATOM 11 N ASP A 2 -20.082 6.466 1.425 1.00 3.22 N ATOM 12 CA ASP A 2 -20.562 6.666 2.781 1.00 3.23 C ATOM 13 C ASP A 2 -20.339 5.387 3.591 1.00 2.38 C ATOM 14 O ASP A 2 -21.224 4.951 4.326 1.00 3.15 O ATOM 15 CB ASP A 2 -22.060 6.980 2.795 1.00 4.22 C ATOM 16 CG ASP A 2 -22.469 8.215 1.990 1.00 5.26 C ATOM 17 OD1 ASP A 2 -21.798 9.255 2.166 1.00 6.24 O ATOM 18 OD2 ASP A 2 -23.444 8.091 1.218 1.00 5.65 O ATOM 0 H ASP A 2 -19.547 7.245 1.042 1.00 3.22 H new ATOM 0 HA ASP A 2 -20.014 7.504 3.212 1.00 3.23 H new ATOM 0 HB2 ASP A 2 -22.601 6.117 2.407 1.00 4.22 H new ATOM 0 HB3 ASP A 2 -22.378 7.117 3.829 1.00 4.22 H new ATOM 23 N GLN A 3 -19.152 4.821 3.429 1.00 1.47 N ATOM 24 CA GLN A 3 -18.802 3.601 4.135 1.00 1.81 C ATOM 25 C GLN A 3 -17.540 3.816 4.973 1.00 1.52 C ATOM 26 O GLN A 3 -17.532 3.539 6.172 1.00 2.43 O ATOM 27 CB GLN A 3 -18.620 2.436 3.160 1.00 2.69 C ATOM 28 CG GLN A 3 -19.728 1.396 3.336 1.00 3.68 C ATOM 29 CD GLN A 3 -19.239 0.209 4.170 1.00 5.07 C ATOM 30 OE1 GLN A 3 -18.054 -0.056 4.283 1.00 5.72 O ATOM 31 NE2 GLN A 3 -20.215 -0.487 4.745 1.00 5.98 N ATOM 0 H GLN A 3 -18.420 5.185 2.819 1.00 1.47 H new ATOM 0 HA GLN A 3 -19.622 3.345 4.806 1.00 1.81 H new ATOM 0 HB2 GLN A 3 -18.626 2.810 2.136 1.00 2.69 H new ATOM 0 HB3 GLN A 3 -17.649 1.969 3.323 1.00 2.69 H new ATOM 0 HG2 GLN A 3 -20.589 1.856 3.821 1.00 3.68 H new ATOM 0 HG3 GLN A 3 -20.061 1.046 2.359 1.00 3.68 H new ATOM 0 HE21 GLN A 3 -21.187 -0.210 4.609 1.00 5.98 H new ATOM 0 HE22 GLN A 3 -19.992 -1.298 5.322 1.00 5.98 H new ATOM 40 N LEU A 4 -16.505 4.309 4.310 1.00 0.75 N ATOM 41 CA LEU A 4 -15.241 4.565 4.979 1.00 0.56 C ATOM 42 C LEU A 4 -14.277 5.237 3.999 1.00 0.51 C ATOM 43 O LEU A 4 -13.535 6.144 4.375 1.00 0.80 O ATOM 44 CB LEU A 4 -14.691 3.278 5.597 1.00 0.90 C ATOM 45 CG LEU A 4 -13.787 2.434 4.696 1.00 0.90 C ATOM 46 CD1 LEU A 4 -12.798 1.614 5.527 1.00 1.89 C ATOM 47 CD2 LEU A 4 -14.615 1.555 3.758 1.00 2.87 C ATOM 0 H LEU A 4 -16.516 4.538 3.316 1.00 0.75 H new ATOM 0 HA LEU A 4 -15.384 5.255 5.811 1.00 0.56 H new ATOM 0 HB2 LEU A 4 -14.132 3.540 6.496 1.00 0.90 H new ATOM 0 HB3 LEU A 4 -15.533 2.662 5.913 1.00 0.90 H new ATOM 0 HG LEU A 4 -13.201 3.108 4.071 1.00 0.90 H new ATOM 0 HD11 LEU A 4 -12.167 1.023 4.863 1.00 1.89 H new ATOM 0 HD12 LEU A 4 -12.175 2.285 6.117 1.00 1.89 H new ATOM 0 HD13 LEU A 4 -13.347 0.949 6.193 1.00 1.89 H new ATOM 0 HD21 LEU A 4 -13.948 0.966 3.129 1.00 2.87 H new ATOM 0 HD22 LEU A 4 -15.244 0.887 4.346 1.00 2.87 H new ATOM 0 HD23 LEU A 4 -15.244 2.185 3.129 1.00 2.87 H new ATOM 59 N THR A 5 -14.318 4.766 2.761 1.00 0.53 N ATOM 60 CA THR A 5 -13.458 5.310 1.725 1.00 0.55 C ATOM 61 C THR A 5 -13.300 6.822 1.901 1.00 0.45 C ATOM 62 O THR A 5 -12.235 7.374 1.632 1.00 0.43 O ATOM 63 CB THR A 5 -14.044 4.914 0.368 1.00 0.73 C ATOM 64 OG1 THR A 5 -13.655 3.552 0.206 1.00 1.73 O ATOM 65 CG2 THR A 5 -13.364 5.636 -0.797 1.00 1.49 C ATOM 0 H THR A 5 -14.934 4.014 2.453 1.00 0.53 H new ATOM 0 HA THR A 5 -12.450 4.900 1.792 1.00 0.55 H new ATOM 0 HB THR A 5 -15.112 5.132 0.357 1.00 0.73 H new ATOM 0 HG1 THR A 5 -13.995 3.214 -0.649 1.00 1.73 H new ATOM 0 HG21 THR A 5 -13.817 5.319 -1.736 1.00 1.49 H new ATOM 0 HG22 THR A 5 -13.488 6.713 -0.680 1.00 1.49 H new ATOM 0 HG23 THR A 5 -12.302 5.392 -0.806 1.00 1.49 H new ATOM 73 N GLU A 6 -14.378 7.448 2.351 1.00 0.50 N ATOM 74 CA GLU A 6 -14.373 8.885 2.566 1.00 0.51 C ATOM 75 C GLU A 6 -13.340 9.259 3.632 1.00 0.42 C ATOM 76 O GLU A 6 -12.458 10.080 3.386 1.00 0.43 O ATOM 77 CB GLU A 6 -15.766 9.386 2.953 1.00 0.66 C ATOM 78 CG GLU A 6 -16.224 8.767 4.274 1.00 2.60 C ATOM 79 CD GLU A 6 -17.730 8.954 4.474 1.00 3.32 C ATOM 80 OE1 GLU A 6 -18.431 9.049 3.444 1.00 3.71 O ATOM 81 OE2 GLU A 6 -18.144 8.997 5.652 1.00 4.16 O ATOM 0 H GLU A 6 -15.260 6.986 2.572 1.00 0.50 H new ATOM 0 HA GLU A 6 -14.094 9.372 1.631 1.00 0.51 H new ATOM 0 HB2 GLU A 6 -15.754 10.472 3.041 1.00 0.66 H new ATOM 0 HB3 GLU A 6 -16.477 9.138 2.165 1.00 0.66 H new ATOM 0 HG2 GLU A 6 -15.981 7.704 4.285 1.00 2.60 H new ATOM 0 HG3 GLU A 6 -15.684 9.226 5.102 1.00 2.60 H new ATOM 88 N GLU A 7 -13.485 8.638 4.793 1.00 0.43 N ATOM 89 CA GLU A 7 -12.576 8.895 5.897 1.00 0.46 C ATOM 90 C GLU A 7 -11.200 8.291 5.604 1.00 0.41 C ATOM 91 O GLU A 7 -10.175 8.880 5.944 1.00 0.46 O ATOM 92 CB GLU A 7 -13.143 8.354 7.212 1.00 0.59 C ATOM 93 CG GLU A 7 -13.577 6.895 7.062 1.00 0.79 C ATOM 94 CD GLU A 7 -13.710 6.220 8.429 1.00 1.21 C ATOM 95 OE1 GLU A 7 -12.654 5.829 8.973 1.00 1.91 O ATOM 96 OE2 GLU A 7 -14.863 6.110 8.898 1.00 2.59 O ATOM 0 H GLU A 7 -14.218 7.958 4.993 1.00 0.43 H new ATOM 0 HA GLU A 7 -12.463 9.974 6.005 1.00 0.46 H new ATOM 0 HB2 GLU A 7 -12.391 8.435 7.997 1.00 0.59 H new ATOM 0 HB3 GLU A 7 -13.994 8.960 7.522 1.00 0.59 H new ATOM 0 HG2 GLU A 7 -14.530 6.847 6.535 1.00 0.79 H new ATOM 0 HG3 GLU A 7 -12.850 6.356 6.455 1.00 0.79 H new ATOM 103 N GLN A 8 -11.223 7.125 4.976 1.00 0.39 N ATOM 104 CA GLN A 8 -9.991 6.436 4.634 1.00 0.39 C ATOM 105 C GLN A 8 -9.181 7.262 3.632 1.00 0.37 C ATOM 106 O GLN A 8 -8.009 7.553 3.866 1.00 0.47 O ATOM 107 CB GLN A 8 -10.279 5.037 4.084 1.00 0.44 C ATOM 108 CG GLN A 8 -8.986 4.335 3.664 1.00 1.60 C ATOM 109 CD GLN A 8 -8.567 3.290 4.700 1.00 2.08 C ATOM 110 OE1 GLN A 8 -8.676 2.093 4.491 1.00 3.47 O ATOM 111 NE2 GLN A 8 -8.085 3.808 5.826 1.00 2.64 N ATOM 0 H GLN A 8 -12.075 6.640 4.695 1.00 0.39 H new ATOM 0 HA GLN A 8 -9.399 6.319 5.542 1.00 0.39 H new ATOM 0 HB2 GLN A 8 -10.790 4.443 4.842 1.00 0.44 H new ATOM 0 HB3 GLN A 8 -10.951 5.110 3.229 1.00 0.44 H new ATOM 0 HG2 GLN A 8 -9.127 3.856 2.695 1.00 1.60 H new ATOM 0 HG3 GLN A 8 -8.191 5.071 3.543 1.00 1.60 H new ATOM 0 HE21 GLN A 8 -8.021 4.820 5.935 1.00 2.64 H new ATOM 0 HE22 GLN A 8 -7.779 3.193 6.580 1.00 2.64 H new ATOM 120 N ILE A 9 -9.839 7.615 2.537 1.00 0.32 N ATOM 121 CA ILE A 9 -9.195 8.402 1.499 1.00 0.34 C ATOM 122 C ILE A 9 -8.621 9.680 2.115 1.00 0.33 C ATOM 123 O ILE A 9 -7.561 10.149 1.705 1.00 0.42 O ATOM 124 CB ILE A 9 -10.163 8.658 0.342 1.00 0.45 C ATOM 125 CG1 ILE A 9 -10.462 7.364 -0.418 1.00 1.71 C ATOM 126 CG2 ILE A 9 -9.635 9.757 -0.581 1.00 1.84 C ATOM 127 CD1 ILE A 9 -9.273 6.953 -1.289 1.00 3.10 C ATOM 0 H ILE A 9 -10.811 7.371 2.346 1.00 0.32 H new ATOM 0 HA ILE A 9 -8.358 7.852 1.068 1.00 0.34 H new ATOM 0 HB ILE A 9 -11.106 9.013 0.757 1.00 0.45 H new ATOM 0 HG12 ILE A 9 -10.692 6.567 0.289 1.00 1.71 H new ATOM 0 HG13 ILE A 9 -11.345 7.500 -1.042 1.00 1.71 H new ATOM 0 HG21 ILE A 9 -10.342 9.919 -1.395 1.00 1.84 H new ATOM 0 HG22 ILE A 9 -9.515 10.681 -0.015 1.00 1.84 H new ATOM 0 HG23 ILE A 9 -8.672 9.455 -0.992 1.00 1.84 H new ATOM 0 HD11 ILE A 9 -9.511 6.030 -1.818 1.00 3.10 H new ATOM 0 HD12 ILE A 9 -9.061 7.741 -2.011 1.00 3.10 H new ATOM 0 HD13 ILE A 9 -8.398 6.794 -0.659 1.00 3.10 H new ATOM 139 N ALA A 10 -9.348 10.206 3.090 1.00 0.37 N ATOM 140 CA ALA A 10 -8.924 11.420 3.767 1.00 0.44 C ATOM 141 C ALA A 10 -7.498 11.237 4.289 1.00 0.44 C ATOM 142 O ALA A 10 -6.611 12.028 3.972 1.00 0.50 O ATOM 143 CB ALA A 10 -9.916 11.754 4.884 1.00 0.49 C ATOM 0 H ALA A 10 -10.227 9.814 3.427 1.00 0.37 H new ATOM 0 HA ALA A 10 -8.915 12.262 3.075 1.00 0.44 H new ATOM 0 HB1 ALA A 10 -9.599 12.664 5.392 1.00 0.49 H new ATOM 0 HB2 ALA A 10 -10.908 11.904 4.457 1.00 0.49 H new ATOM 0 HB3 ALA A 10 -9.949 10.932 5.599 1.00 0.49 H new ATOM 149 N GLU A 11 -7.321 10.189 5.080 1.00 0.45 N ATOM 150 CA GLU A 11 -6.018 9.893 5.649 1.00 0.53 C ATOM 151 C GLU A 11 -5.065 9.393 4.561 1.00 0.45 C ATOM 152 O GLU A 11 -3.923 9.842 4.476 1.00 0.49 O ATOM 153 CB GLU A 11 -6.134 8.875 6.786 1.00 0.66 C ATOM 154 CG GLU A 11 -6.195 9.575 8.145 1.00 1.00 C ATOM 155 CD GLU A 11 -7.033 8.769 9.140 1.00 1.49 C ATOM 156 OE1 GLU A 11 -8.275 8.817 9.006 1.00 2.52 O ATOM 157 OE2 GLU A 11 -6.412 8.124 10.011 1.00 2.04 O ATOM 0 H GLU A 11 -8.059 9.534 5.340 1.00 0.45 H new ATOM 0 HA GLU A 11 -5.609 10.812 6.069 1.00 0.53 H new ATOM 0 HB2 GLU A 11 -7.028 8.268 6.645 1.00 0.66 H new ATOM 0 HB3 GLU A 11 -5.281 8.197 6.760 1.00 0.66 H new ATOM 0 HG2 GLU A 11 -5.186 9.706 8.536 1.00 1.00 H new ATOM 0 HG3 GLU A 11 -6.623 10.571 8.026 1.00 1.00 H new ATOM 164 N PHE A 12 -5.570 8.469 3.756 1.00 0.40 N ATOM 165 CA PHE A 12 -4.778 7.904 2.677 1.00 0.39 C ATOM 166 C PHE A 12 -4.140 9.006 1.829 1.00 0.34 C ATOM 167 O PHE A 12 -2.998 8.875 1.390 1.00 0.40 O ATOM 168 CB PHE A 12 -5.732 7.090 1.801 1.00 0.43 C ATOM 169 CG PHE A 12 -5.479 5.582 1.839 1.00 0.71 C ATOM 170 CD1 PHE A 12 -5.632 4.895 3.003 1.00 0.85 C ATOM 171 CD2 PHE A 12 -5.099 4.927 0.708 1.00 1.35 C ATOM 172 CE1 PHE A 12 -5.396 3.495 3.038 1.00 1.17 C ATOM 173 CE2 PHE A 12 -4.864 3.527 0.743 1.00 1.82 C ATOM 174 CZ PHE A 12 -5.017 2.841 1.908 1.00 1.61 C ATOM 0 H PHE A 12 -6.517 8.098 3.830 1.00 0.40 H new ATOM 0 HA PHE A 12 -3.977 7.289 3.087 1.00 0.39 H new ATOM 0 HB2 PHE A 12 -6.756 7.284 2.120 1.00 0.43 H new ATOM 0 HB3 PHE A 12 -5.648 7.436 0.771 1.00 0.43 H new ATOM 0 HD1 PHE A 12 -5.933 5.414 3.901 1.00 0.85 H new ATOM 0 HD2 PHE A 12 -4.976 5.472 -0.216 1.00 1.35 H new ATOM 0 HE1 PHE A 12 -5.518 2.950 3.962 1.00 1.17 H new ATOM 0 HE2 PHE A 12 -4.564 3.007 -0.155 1.00 1.82 H new ATOM 0 HZ PHE A 12 -4.837 1.776 1.935 1.00 1.61 H new ATOM 184 N LYS A 13 -4.906 10.067 1.622 1.00 0.35 N ATOM 185 CA LYS A 13 -4.430 11.191 0.834 1.00 0.38 C ATOM 186 C LYS A 13 -3.048 11.612 1.337 1.00 0.41 C ATOM 187 O LYS A 13 -2.073 11.574 0.587 1.00 0.45 O ATOM 188 CB LYS A 13 -5.458 12.324 0.842 1.00 0.40 C ATOM 189 CG LYS A 13 -5.434 13.096 -0.479 1.00 0.62 C ATOM 190 CD LYS A 13 -6.513 14.180 -0.501 1.00 1.31 C ATOM 191 CE LYS A 13 -7.746 13.711 -1.277 1.00 1.37 C ATOM 192 NZ LYS A 13 -8.939 14.487 -0.873 1.00 2.71 N ATOM 0 H LYS A 13 -5.853 10.172 1.986 1.00 0.35 H new ATOM 0 HA LYS A 13 -4.315 10.902 -0.211 1.00 0.38 H new ATOM 0 HB2 LYS A 13 -6.454 11.915 1.010 1.00 0.40 H new ATOM 0 HB3 LYS A 13 -5.249 13.004 1.668 1.00 0.40 H new ATOM 0 HG2 LYS A 13 -4.454 13.551 -0.620 1.00 0.62 H new ATOM 0 HG3 LYS A 13 -5.589 12.407 -1.310 1.00 0.62 H new ATOM 0 HD2 LYS A 13 -6.797 14.436 0.520 1.00 1.31 H new ATOM 0 HD3 LYS A 13 -6.114 15.086 -0.958 1.00 1.31 H new ATOM 0 HE2 LYS A 13 -7.575 13.827 -2.347 1.00 1.37 H new ATOM 0 HE3 LYS A 13 -7.916 12.650 -1.094 1.00 1.37 H new ATOM 0 HZ1 LYS A 13 -9.766 14.156 -1.409 1.00 2.71 H new ATOM 0 HZ2 LYS A 13 -9.110 14.356 0.144 1.00 2.71 H new ATOM 0 HZ3 LYS A 13 -8.780 15.496 -1.070 1.00 2.71 H new ATOM 206 N GLU A 14 -3.007 12.004 2.601 1.00 0.44 N ATOM 207 CA GLU A 14 -1.760 12.432 3.213 1.00 0.49 C ATOM 208 C GLU A 14 -0.832 11.233 3.420 1.00 0.47 C ATOM 209 O GLU A 14 0.383 11.352 3.275 1.00 0.51 O ATOM 210 CB GLU A 14 -2.018 13.160 4.533 1.00 0.60 C ATOM 211 CG GLU A 14 -2.223 14.659 4.302 1.00 1.47 C ATOM 212 CD GLU A 14 -3.537 15.136 4.924 1.00 2.71 C ATOM 213 OE1 GLU A 14 -3.586 15.193 6.172 1.00 2.81 O ATOM 214 OE2 GLU A 14 -4.462 15.432 4.138 1.00 4.10 O ATOM 0 H GLU A 14 -3.818 12.034 3.219 1.00 0.44 H new ATOM 0 HA GLU A 14 -1.270 13.135 2.539 1.00 0.49 H new ATOM 0 HB2 GLU A 14 -2.899 12.739 5.018 1.00 0.60 H new ATOM 0 HB3 GLU A 14 -1.177 13.004 5.209 1.00 0.60 H new ATOM 0 HG2 GLU A 14 -1.390 15.214 4.733 1.00 1.47 H new ATOM 0 HG3 GLU A 14 -2.226 14.869 3.232 1.00 1.47 H new ATOM 221 N ALA A 15 -1.441 10.105 3.757 1.00 0.48 N ATOM 222 CA ALA A 15 -0.685 8.886 3.986 1.00 0.55 C ATOM 223 C ALA A 15 0.182 8.591 2.760 1.00 0.50 C ATOM 224 O ALA A 15 1.383 8.357 2.887 1.00 0.52 O ATOM 225 CB ALA A 15 -1.647 7.741 4.308 1.00 0.63 C ATOM 0 H ALA A 15 -2.449 10.010 3.877 1.00 0.48 H new ATOM 0 HA ALA A 15 -0.019 9.003 4.841 1.00 0.55 H new ATOM 0 HB1 ALA A 15 -1.079 6.826 4.480 1.00 0.63 H new ATOM 0 HB2 ALA A 15 -2.219 7.987 5.203 1.00 0.63 H new ATOM 0 HB3 ALA A 15 -2.329 7.593 3.471 1.00 0.63 H new ATOM 231 N PHE A 16 -0.460 8.612 1.602 1.00 0.51 N ATOM 232 CA PHE A 16 0.238 8.350 0.354 1.00 0.56 C ATOM 233 C PHE A 16 1.643 8.955 0.375 1.00 0.51 C ATOM 234 O PHE A 16 2.626 8.258 0.127 1.00 0.69 O ATOM 235 CB PHE A 16 -0.574 9.013 -0.760 1.00 0.65 C ATOM 236 CG PHE A 16 0.206 9.219 -2.060 1.00 0.96 C ATOM 237 CD1 PHE A 16 0.386 8.179 -2.917 1.00 0.83 C ATOM 238 CD2 PHE A 16 0.720 10.442 -2.358 1.00 1.65 C ATOM 239 CE1 PHE A 16 1.110 8.370 -4.124 1.00 1.29 C ATOM 240 CE2 PHE A 16 1.444 10.633 -3.565 1.00 2.11 C ATOM 241 CZ PHE A 16 1.624 9.593 -4.422 1.00 1.89 C ATOM 0 H PHE A 16 -1.456 8.806 1.501 1.00 0.51 H new ATOM 0 HA PHE A 16 0.337 7.275 0.201 1.00 0.56 H new ATOM 0 HB2 PHE A 16 -1.452 8.402 -0.968 1.00 0.65 H new ATOM 0 HB3 PHE A 16 -0.934 9.979 -0.407 1.00 0.65 H new ATOM 0 HD1 PHE A 16 -0.022 7.207 -2.680 1.00 0.83 H new ATOM 0 HD2 PHE A 16 0.578 11.268 -1.677 1.00 1.65 H new ATOM 0 HE1 PHE A 16 1.252 7.544 -4.805 1.00 1.29 H new ATOM 0 HE2 PHE A 16 1.852 11.605 -3.802 1.00 2.11 H new ATOM 0 HZ PHE A 16 2.175 9.738 -5.339 1.00 1.89 H new ATOM 251 N SER A 17 1.693 10.245 0.672 1.00 0.44 N ATOM 252 CA SER A 17 2.962 10.951 0.728 1.00 0.42 C ATOM 253 C SER A 17 4.031 10.057 1.358 1.00 0.38 C ATOM 254 O SER A 17 5.127 9.918 0.816 1.00 0.42 O ATOM 255 CB SER A 17 2.831 12.257 1.515 1.00 0.47 C ATOM 256 OG SER A 17 4.078 12.937 1.633 1.00 1.35 O ATOM 0 H SER A 17 0.876 10.820 0.876 1.00 0.44 H new ATOM 0 HA SER A 17 3.260 11.200 -0.290 1.00 0.42 H new ATOM 0 HB2 SER A 17 2.109 12.907 1.021 1.00 0.47 H new ATOM 0 HB3 SER A 17 2.439 12.043 2.509 1.00 0.47 H new ATOM 0 HG SER A 17 3.952 13.766 2.140 1.00 1.35 H new ATOM 262 N LEU A 18 3.676 9.474 2.493 1.00 0.37 N ATOM 263 CA LEU A 18 4.592 8.597 3.203 1.00 0.39 C ATOM 264 C LEU A 18 4.766 7.300 2.410 1.00 0.38 C ATOM 265 O LEU A 18 5.875 6.966 1.995 1.00 0.45 O ATOM 266 CB LEU A 18 4.120 8.380 4.642 1.00 0.43 C ATOM 267 CG LEU A 18 4.413 9.517 5.623 1.00 0.44 C ATOM 268 CD1 LEU A 18 3.794 9.232 6.993 1.00 0.60 C ATOM 269 CD2 LEU A 18 5.917 9.785 5.718 1.00 0.44 C ATOM 0 H LEU A 18 2.766 9.592 2.939 1.00 0.37 H new ATOM 0 HA LEU A 18 5.577 9.058 3.282 1.00 0.39 H new ATOM 0 HB2 LEU A 18 3.044 8.207 4.628 1.00 0.43 H new ATOM 0 HB3 LEU A 18 4.584 7.470 5.022 1.00 0.43 H new ATOM 0 HG LEU A 18 3.947 10.426 5.242 1.00 0.44 H new ATOM 0 HD11 LEU A 18 4.017 10.055 7.671 1.00 0.60 H new ATOM 0 HD12 LEU A 18 2.714 9.129 6.890 1.00 0.60 H new ATOM 0 HD13 LEU A 18 4.210 8.308 7.395 1.00 0.60 H new ATOM 0 HD21 LEU A 18 6.098 10.598 6.422 1.00 0.44 H new ATOM 0 HD22 LEU A 18 6.426 8.885 6.064 1.00 0.44 H new ATOM 0 HD23 LEU A 18 6.300 10.063 4.736 1.00 0.44 H new ATOM 281 N PHE A 19 3.654 6.604 2.224 1.00 0.37 N ATOM 282 CA PHE A 19 3.670 5.351 1.489 1.00 0.43 C ATOM 283 C PHE A 19 4.535 5.464 0.232 1.00 0.45 C ATOM 284 O PHE A 19 5.467 4.684 0.043 1.00 0.72 O ATOM 285 CB PHE A 19 2.227 5.057 1.076 1.00 0.48 C ATOM 286 CG PHE A 19 1.290 4.768 2.251 1.00 1.01 C ATOM 287 CD1 PHE A 19 1.748 4.083 3.333 1.00 1.58 C ATOM 288 CD2 PHE A 19 -0.001 5.195 2.213 1.00 2.12 C ATOM 289 CE1 PHE A 19 0.878 3.815 4.424 1.00 2.11 C ATOM 290 CE2 PHE A 19 -0.870 4.927 3.303 1.00 2.82 C ATOM 291 CZ PHE A 19 -0.412 4.243 4.385 1.00 2.51 C ATOM 0 H PHE A 19 2.736 6.884 2.570 1.00 0.37 H new ATOM 0 HA PHE A 19 4.084 4.559 2.113 1.00 0.43 H new ATOM 0 HB2 PHE A 19 1.839 5.908 0.516 1.00 0.48 H new ATOM 0 HB3 PHE A 19 2.220 4.202 0.400 1.00 0.48 H new ATOM 0 HD1 PHE A 19 2.773 3.743 3.363 1.00 1.58 H new ATOM 0 HD2 PHE A 19 -0.365 5.738 1.353 1.00 2.12 H new ATOM 0 HE1 PHE A 19 1.241 3.272 5.284 1.00 2.11 H new ATOM 0 HE2 PHE A 19 -1.895 5.266 3.273 1.00 2.82 H new ATOM 0 HZ PHE A 19 -1.073 4.039 5.214 1.00 2.51 H new ATOM 301 N ASP A 20 4.195 6.441 -0.596 1.00 0.39 N ATOM 302 CA ASP A 20 4.928 6.666 -1.830 1.00 0.42 C ATOM 303 C ASP A 20 6.302 7.254 -1.501 1.00 0.49 C ATOM 304 O ASP A 20 6.429 8.457 -1.278 1.00 0.84 O ATOM 305 CB ASP A 20 4.194 7.657 -2.734 1.00 0.56 C ATOM 306 CG ASP A 20 4.543 7.558 -4.220 1.00 0.61 C ATOM 307 OD1 ASP A 20 5.426 6.734 -4.542 1.00 0.66 O ATOM 308 OD2 ASP A 20 3.920 8.310 -5.001 1.00 0.89 O ATOM 0 H ASP A 20 3.421 7.086 -0.436 1.00 0.39 H new ATOM 0 HA ASP A 20 5.022 5.710 -2.345 1.00 0.42 H new ATOM 0 HB2 ASP A 20 3.121 7.506 -2.617 1.00 0.56 H new ATOM 0 HB3 ASP A 20 4.412 8.669 -2.392 1.00 0.56 H new ATOM 313 N LYS A 21 7.296 6.378 -1.481 1.00 0.58 N ATOM 314 CA LYS A 21 8.655 6.795 -1.184 1.00 0.74 C ATOM 315 C LYS A 21 9.246 7.502 -2.405 1.00 0.62 C ATOM 316 O LYS A 21 9.725 8.630 -2.303 1.00 0.82 O ATOM 317 CB LYS A 21 9.487 5.606 -0.700 1.00 0.98 C ATOM 318 CG LYS A 21 8.724 4.793 0.347 1.00 0.75 C ATOM 319 CD LYS A 21 8.493 5.614 1.618 1.00 0.86 C ATOM 320 CE LYS A 21 7.477 4.930 2.535 1.00 1.13 C ATOM 321 NZ LYS A 21 7.337 5.680 3.803 1.00 1.69 N ATOM 0 H LYS A 21 7.187 5.381 -1.666 1.00 0.58 H new ATOM 0 HA LYS A 21 8.662 7.514 -0.365 1.00 0.74 H new ATOM 0 HB2 LYS A 21 9.742 4.968 -1.546 1.00 0.98 H new ATOM 0 HB3 LYS A 21 10.425 5.963 -0.275 1.00 0.98 H new ATOM 0 HG2 LYS A 21 7.766 4.474 -0.063 1.00 0.75 H new ATOM 0 HG3 LYS A 21 9.284 3.890 0.590 1.00 0.75 H new ATOM 0 HD2 LYS A 21 9.437 5.744 2.148 1.00 0.86 H new ATOM 0 HD3 LYS A 21 8.137 6.609 1.353 1.00 0.86 H new ATOM 0 HE2 LYS A 21 6.511 4.867 2.034 1.00 1.13 H new ATOM 0 HE3 LYS A 21 7.796 3.909 2.743 1.00 1.13 H new ATOM 0 HZ1 LYS A 21 6.868 5.080 4.511 1.00 1.69 H new ATOM 0 HZ2 LYS A 21 8.278 5.954 4.150 1.00 1.69 H new ATOM 0 HZ3 LYS A 21 6.766 6.534 3.640 1.00 1.69 H new ATOM 335 N ASP A 22 9.193 6.810 -3.534 1.00 0.56 N ATOM 336 CA ASP A 22 9.716 7.357 -4.773 1.00 0.49 C ATOM 337 C ASP A 22 9.060 8.712 -5.045 1.00 0.44 C ATOM 338 O ASP A 22 9.747 9.727 -5.160 1.00 0.54 O ATOM 339 CB ASP A 22 9.407 6.437 -5.956 1.00 0.57 C ATOM 340 CG ASP A 22 9.505 7.098 -7.332 1.00 2.11 C ATOM 341 OD1 ASP A 22 10.122 8.182 -7.399 1.00 3.14 O ATOM 342 OD2 ASP A 22 8.960 6.503 -8.287 1.00 2.74 O ATOM 0 H ASP A 22 8.795 5.874 -3.616 1.00 0.56 H new ATOM 0 HA ASP A 22 10.796 7.458 -4.667 1.00 0.49 H new ATOM 0 HB2 ASP A 22 10.092 5.590 -5.927 1.00 0.57 H new ATOM 0 HB3 ASP A 22 8.401 6.037 -5.833 1.00 0.57 H new ATOM 347 N GLY A 23 7.739 8.686 -5.139 1.00 0.47 N ATOM 348 CA GLY A 23 6.982 9.900 -5.395 1.00 0.50 C ATOM 349 C GLY A 23 6.606 10.010 -6.874 1.00 0.53 C ATOM 350 O GLY A 23 6.585 11.105 -7.433 1.00 0.65 O ATOM 0 H GLY A 23 7.173 7.843 -5.042 1.00 0.47 H new ATOM 0 HA2 GLY A 23 6.079 9.905 -4.785 1.00 0.50 H new ATOM 0 HA3 GLY A 23 7.570 10.769 -5.100 1.00 0.50 H new ATOM 354 N ASP A 24 6.317 8.860 -7.465 1.00 0.50 N ATOM 355 CA ASP A 24 5.942 8.813 -8.868 1.00 0.60 C ATOM 356 C ASP A 24 4.434 8.583 -8.981 1.00 0.62 C ATOM 357 O ASP A 24 3.857 8.742 -10.056 1.00 1.03 O ATOM 358 CB ASP A 24 6.651 7.665 -9.590 1.00 0.66 C ATOM 359 CG ASP A 24 6.386 6.275 -9.009 1.00 0.91 C ATOM 360 OD1 ASP A 24 5.707 6.217 -7.961 1.00 0.75 O ATOM 361 OD2 ASP A 24 6.868 5.301 -9.626 1.00 1.58 O ATOM 0 H ASP A 24 6.335 7.953 -6.998 1.00 0.50 H new ATOM 0 HA ASP A 24 6.230 9.759 -9.326 1.00 0.60 H new ATOM 0 HB2 ASP A 24 6.345 7.670 -10.636 1.00 0.66 H new ATOM 0 HB3 ASP A 24 7.725 7.852 -9.571 1.00 0.66 H new ATOM 366 N GLY A 25 3.838 8.213 -7.857 1.00 0.42 N ATOM 367 CA GLY A 25 2.408 7.960 -7.817 1.00 0.48 C ATOM 368 C GLY A 25 2.120 6.467 -7.638 1.00 0.58 C ATOM 369 O GLY A 25 0.973 6.037 -7.738 1.00 0.97 O ATOM 0 H GLY A 25 4.319 8.082 -6.967 1.00 0.42 H new ATOM 0 HA2 GLY A 25 1.958 8.522 -6.998 1.00 0.48 H new ATOM 0 HA3 GLY A 25 1.946 8.315 -8.738 1.00 0.48 H new ATOM 373 N THR A 26 3.183 5.720 -7.378 1.00 0.41 N ATOM 374 CA THR A 26 3.059 4.285 -7.185 1.00 0.49 C ATOM 375 C THR A 26 3.891 3.835 -5.982 1.00 0.43 C ATOM 376 O THR A 26 4.947 4.403 -5.706 1.00 0.55 O ATOM 377 CB THR A 26 3.457 3.596 -8.491 1.00 0.62 C ATOM 378 OG1 THR A 26 4.517 4.401 -9.000 1.00 0.95 O ATOM 379 CG2 THR A 26 2.368 3.695 -9.561 1.00 1.11 C ATOM 0 H THR A 26 4.133 6.081 -7.297 1.00 0.41 H new ATOM 0 HA THR A 26 2.032 4.004 -6.953 1.00 0.49 H new ATOM 0 HB THR A 26 3.679 2.547 -8.294 1.00 0.62 H new ATOM 0 HG1 THR A 26 5.087 4.697 -8.260 1.00 0.95 H new ATOM 0 HG21 THR A 26 2.702 3.190 -10.467 1.00 1.11 H new ATOM 0 HG22 THR A 26 1.456 3.222 -9.197 1.00 1.11 H new ATOM 0 HG23 THR A 26 2.169 4.744 -9.782 1.00 1.11 H new ATOM 387 N ILE A 27 3.385 2.818 -5.300 1.00 0.37 N ATOM 388 CA ILE A 27 4.068 2.286 -4.134 1.00 0.35 C ATOM 389 C ILE A 27 4.696 0.937 -4.488 1.00 0.34 C ATOM 390 O ILE A 27 4.076 -0.109 -4.302 1.00 0.49 O ATOM 391 CB ILE A 27 3.117 2.225 -2.936 1.00 0.42 C ATOM 392 CG1 ILE A 27 2.798 3.629 -2.418 1.00 0.39 C ATOM 393 CG2 ILE A 27 3.677 1.322 -1.836 1.00 0.58 C ATOM 394 CD1 ILE A 27 1.964 4.412 -3.434 1.00 0.60 C ATOM 0 H ILE A 27 2.510 2.349 -5.533 1.00 0.37 H new ATOM 0 HA ILE A 27 4.880 2.948 -3.834 1.00 0.35 H new ATOM 0 HB ILE A 27 2.178 1.782 -3.268 1.00 0.42 H new ATOM 0 HG12 ILE A 27 2.256 3.558 -1.475 1.00 0.39 H new ATOM 0 HG13 ILE A 27 3.725 4.164 -2.213 1.00 0.39 H new ATOM 0 HG21 ILE A 27 2.982 1.297 -0.997 1.00 0.58 H new ATOM 0 HG22 ILE A 27 3.811 0.313 -2.227 1.00 0.58 H new ATOM 0 HG23 ILE A 27 4.638 1.712 -1.499 1.00 0.58 H new ATOM 0 HD11 ILE A 27 1.751 5.406 -3.041 1.00 0.60 H new ATOM 0 HD12 ILE A 27 2.519 4.502 -4.368 1.00 0.60 H new ATOM 0 HD13 ILE A 27 1.027 3.886 -3.618 1.00 0.60 H new ATOM 406 N THR A 28 5.920 1.004 -4.993 1.00 0.28 N ATOM 407 CA THR A 28 6.639 -0.199 -5.375 1.00 0.33 C ATOM 408 C THR A 28 6.669 -1.194 -4.213 1.00 0.32 C ATOM 409 O THR A 28 6.654 -0.796 -3.050 1.00 0.34 O ATOM 410 CB THR A 28 8.031 0.215 -5.857 1.00 0.40 C ATOM 411 OG1 THR A 28 7.784 0.901 -7.082 1.00 0.45 O ATOM 412 CG2 THR A 28 8.889 -0.983 -6.268 1.00 0.51 C ATOM 0 H THR A 28 6.431 1.873 -5.146 1.00 0.28 H new ATOM 0 HA THR A 28 6.137 -0.717 -6.192 1.00 0.33 H new ATOM 0 HB THR A 28 8.538 0.771 -5.068 1.00 0.40 H new ATOM 0 HG1 THR A 28 7.880 1.866 -6.941 1.00 0.45 H new ATOM 0 HG21 THR A 28 9.866 -0.633 -6.602 1.00 0.51 H new ATOM 0 HG22 THR A 28 9.014 -1.650 -5.415 1.00 0.51 H new ATOM 0 HG23 THR A 28 8.399 -1.520 -7.080 1.00 0.51 H new ATOM 420 N THR A 29 6.712 -2.470 -4.570 1.00 0.35 N ATOM 421 CA THR A 29 6.745 -3.525 -3.571 1.00 0.38 C ATOM 422 C THR A 29 7.655 -3.129 -2.406 1.00 0.38 C ATOM 423 O THR A 29 7.283 -3.282 -1.244 1.00 0.41 O ATOM 424 CB THR A 29 7.175 -4.819 -4.265 1.00 0.41 C ATOM 425 OG1 THR A 29 8.498 -4.546 -4.721 1.00 0.43 O ATOM 426 CG2 THR A 29 6.386 -5.085 -5.548 1.00 0.43 C ATOM 0 H THR A 29 6.725 -2.797 -5.536 1.00 0.35 H new ATOM 0 HA THR A 29 5.760 -3.685 -3.132 1.00 0.38 H new ATOM 0 HB THR A 29 7.048 -5.657 -3.580 1.00 0.41 H new ATOM 0 HG1 THR A 29 8.854 -5.334 -5.182 1.00 0.43 H new ATOM 0 HG21 THR A 29 6.730 -6.015 -6.001 1.00 0.43 H new ATOM 0 HG22 THR A 29 5.325 -5.167 -5.312 1.00 0.43 H new ATOM 0 HG23 THR A 29 6.540 -4.263 -6.247 1.00 0.43 H new ATOM 434 N LYS A 30 8.829 -2.626 -2.759 1.00 0.44 N ATOM 435 CA LYS A 30 9.795 -2.207 -1.757 1.00 0.51 C ATOM 436 C LYS A 30 9.242 -1.001 -0.996 1.00 0.48 C ATOM 437 O LYS A 30 9.367 -0.922 0.226 1.00 0.54 O ATOM 438 CB LYS A 30 11.159 -1.955 -2.401 1.00 0.65 C ATOM 439 CG LYS A 30 11.109 -0.745 -3.337 1.00 1.00 C ATOM 440 CD LYS A 30 12.150 -0.870 -4.451 1.00 1.04 C ATOM 441 CE LYS A 30 13.031 0.379 -4.521 1.00 1.90 C ATOM 442 NZ LYS A 30 14.228 0.123 -5.353 1.00 2.17 N ATOM 0 H LYS A 30 9.133 -2.499 -3.724 1.00 0.44 H new ATOM 0 HA LYS A 30 9.955 -3.000 -1.026 1.00 0.51 H new ATOM 0 HB2 LYS A 30 11.906 -1.788 -1.625 1.00 0.65 H new ATOM 0 HB3 LYS A 30 11.470 -2.838 -2.959 1.00 0.65 H new ATOM 0 HG2 LYS A 30 10.114 -0.659 -3.773 1.00 1.00 H new ATOM 0 HG3 LYS A 30 11.288 0.167 -2.768 1.00 1.00 H new ATOM 0 HD2 LYS A 30 12.771 -1.748 -4.276 1.00 1.04 H new ATOM 0 HD3 LYS A 30 11.648 -1.020 -5.407 1.00 1.04 H new ATOM 0 HE2 LYS A 30 12.462 1.210 -4.938 1.00 1.90 H new ATOM 0 HE3 LYS A 30 13.335 0.673 -3.517 1.00 1.90 H new ATOM 0 HZ1 LYS A 30 14.815 0.981 -5.390 1.00 2.17 H new ATOM 0 HZ2 LYS A 30 14.779 -0.656 -4.939 1.00 2.17 H new ATOM 0 HZ3 LYS A 30 13.933 -0.136 -6.316 1.00 2.17 H new ATOM 456 N GLU A 31 8.641 -0.091 -1.748 1.00 0.46 N ATOM 457 CA GLU A 31 8.068 1.108 -1.159 1.00 0.50 C ATOM 458 C GLU A 31 7.063 0.735 -0.068 1.00 0.40 C ATOM 459 O GLU A 31 6.901 1.466 0.908 1.00 0.45 O ATOM 460 CB GLU A 31 7.417 1.987 -2.229 1.00 0.60 C ATOM 461 CG GLU A 31 8.475 2.673 -3.094 1.00 0.82 C ATOM 462 CD GLU A 31 7.823 3.516 -4.192 1.00 0.80 C ATOM 463 OE1 GLU A 31 6.850 4.227 -3.859 1.00 1.67 O ATOM 464 OE2 GLU A 31 8.312 3.430 -5.339 1.00 2.13 O ATOM 0 H GLU A 31 8.538 -0.160 -2.760 1.00 0.46 H new ATOM 0 HA GLU A 31 8.872 1.685 -0.702 1.00 0.50 H new ATOM 0 HB2 GLU A 31 6.767 1.379 -2.858 1.00 0.60 H new ATOM 0 HB3 GLU A 31 6.788 2.739 -1.753 1.00 0.60 H new ATOM 0 HG2 GLU A 31 9.105 3.307 -2.470 1.00 0.82 H new ATOM 0 HG3 GLU A 31 9.124 1.922 -3.544 1.00 0.82 H new ATOM 471 N LEU A 32 6.413 -0.402 -0.271 1.00 0.32 N ATOM 472 CA LEU A 32 5.428 -0.881 0.684 1.00 0.29 C ATOM 473 C LEU A 32 6.127 -1.237 1.997 1.00 0.31 C ATOM 474 O LEU A 32 5.680 -0.837 3.071 1.00 0.40 O ATOM 475 CB LEU A 32 4.619 -2.034 0.085 1.00 0.32 C ATOM 476 CG LEU A 32 3.487 -2.582 0.957 1.00 0.48 C ATOM 477 CD1 LEU A 32 2.755 -3.725 0.250 1.00 1.51 C ATOM 478 CD2 LEU A 32 4.010 -3.001 2.333 1.00 1.60 C ATOM 0 H LEU A 32 6.549 -1.005 -1.082 1.00 0.32 H new ATOM 0 HA LEU A 32 4.705 -0.098 0.911 1.00 0.29 H new ATOM 0 HB2 LEU A 32 4.193 -1.700 -0.861 1.00 0.32 H new ATOM 0 HB3 LEU A 32 5.303 -2.851 -0.144 1.00 0.32 H new ATOM 0 HG LEU A 32 2.761 -1.785 1.117 1.00 0.48 H new ATOM 0 HD11 LEU A 32 1.955 -4.097 0.891 1.00 1.51 H new ATOM 0 HD12 LEU A 32 2.331 -3.361 -0.686 1.00 1.51 H new ATOM 0 HD13 LEU A 32 3.457 -4.532 0.041 1.00 1.51 H new ATOM 0 HD21 LEU A 32 3.186 -3.387 2.933 1.00 1.60 H new ATOM 0 HD22 LEU A 32 4.767 -3.777 2.214 1.00 1.60 H new ATOM 0 HD23 LEU A 32 4.450 -2.138 2.833 1.00 1.60 H new ATOM 490 N GLY A 33 7.213 -1.985 1.868 1.00 0.33 N ATOM 491 CA GLY A 33 7.978 -2.399 3.032 1.00 0.42 C ATOM 492 C GLY A 33 8.685 -1.205 3.677 1.00 0.46 C ATOM 493 O GLY A 33 9.082 -1.269 4.840 1.00 0.59 O ATOM 0 H GLY A 33 7.581 -2.315 0.976 1.00 0.33 H new ATOM 0 HA2 GLY A 33 7.315 -2.870 3.758 1.00 0.42 H new ATOM 0 HA3 GLY A 33 8.714 -3.148 2.740 1.00 0.42 H new ATOM 497 N THR A 34 8.820 -0.145 2.894 1.00 0.44 N ATOM 498 CA THR A 34 9.471 1.062 3.375 1.00 0.53 C ATOM 499 C THR A 34 8.688 1.661 4.545 1.00 0.50 C ATOM 500 O THR A 34 9.262 1.968 5.588 1.00 0.70 O ATOM 501 CB THR A 34 9.624 2.020 2.192 1.00 0.62 C ATOM 502 OG1 THR A 34 10.353 1.266 1.227 1.00 0.84 O ATOM 503 CG2 THR A 34 10.542 3.202 2.511 1.00 0.67 C ATOM 0 H THR A 34 8.490 -0.097 1.930 1.00 0.44 H new ATOM 0 HA THR A 34 10.465 0.846 3.767 1.00 0.53 H new ATOM 0 HB THR A 34 8.643 2.391 1.896 1.00 0.62 H new ATOM 0 HG1 THR A 34 9.774 0.572 0.848 1.00 0.84 H new ATOM 0 HG21 THR A 34 10.616 3.851 1.638 1.00 0.67 H new ATOM 0 HG22 THR A 34 10.131 3.766 3.349 1.00 0.67 H new ATOM 0 HG23 THR A 34 11.533 2.832 2.774 1.00 0.67 H new ATOM 511 N VAL A 35 7.389 1.809 4.332 1.00 0.37 N ATOM 512 CA VAL A 35 6.521 2.366 5.355 1.00 0.44 C ATOM 513 C VAL A 35 6.339 1.341 6.476 1.00 0.37 C ATOM 514 O VAL A 35 6.512 1.663 7.651 1.00 0.43 O ATOM 515 CB VAL A 35 5.197 2.812 4.733 1.00 0.61 C ATOM 516 CG1 VAL A 35 4.227 1.635 4.605 1.00 1.37 C ATOM 517 CG2 VAL A 35 4.571 3.954 5.535 1.00 2.08 C ATOM 0 H VAL A 35 6.916 1.553 3.465 1.00 0.37 H new ATOM 0 HA VAL A 35 6.973 3.255 5.796 1.00 0.44 H new ATOM 0 HB VAL A 35 5.407 3.184 3.730 1.00 0.61 H new ATOM 0 HG11 VAL A 35 3.294 1.980 4.160 1.00 1.37 H new ATOM 0 HG12 VAL A 35 4.669 0.866 3.971 1.00 1.37 H new ATOM 0 HG13 VAL A 35 4.026 1.220 5.593 1.00 1.37 H new ATOM 0 HG21 VAL A 35 3.631 4.252 5.071 1.00 2.08 H new ATOM 0 HG22 VAL A 35 4.382 3.621 6.556 1.00 2.08 H new ATOM 0 HG23 VAL A 35 5.253 4.804 5.551 1.00 2.08 H new ATOM 527 N MET A 36 5.993 0.127 6.074 1.00 0.36 N ATOM 528 CA MET A 36 5.786 -0.948 7.031 1.00 0.38 C ATOM 529 C MET A 36 6.871 -0.938 8.109 1.00 0.43 C ATOM 530 O MET A 36 6.570 -0.819 9.296 1.00 0.47 O ATOM 531 CB MET A 36 5.803 -2.292 6.300 1.00 0.55 C ATOM 532 CG MET A 36 4.568 -2.449 5.411 1.00 0.65 C ATOM 533 SD MET A 36 3.144 -2.848 6.409 1.00 0.71 S ATOM 534 CE MET A 36 2.210 -1.337 6.235 1.00 2.31 C ATOM 0 H MET A 36 5.851 -0.137 5.099 1.00 0.36 H new ATOM 0 HA MET A 36 4.820 -0.800 7.514 1.00 0.38 H new ATOM 0 HB2 MET A 36 6.705 -2.368 5.692 1.00 0.55 H new ATOM 0 HB3 MET A 36 5.838 -3.104 7.026 1.00 0.55 H new ATOM 0 HG2 MET A 36 4.388 -1.527 4.858 1.00 0.65 H new ATOM 0 HG3 MET A 36 4.738 -3.234 4.674 1.00 0.65 H new ATOM 0 HE1 MET A 36 1.172 -1.516 6.516 1.00 2.31 H new ATOM 0 HE2 MET A 36 2.634 -0.570 6.883 1.00 2.31 H new ATOM 0 HE3 MET A 36 2.253 -1.000 5.199 1.00 2.31 H new ATOM 544 N ARG A 37 8.110 -1.065 7.658 1.00 0.58 N ATOM 545 CA ARG A 37 9.242 -1.073 8.570 1.00 0.79 C ATOM 546 C ARG A 37 9.348 0.270 9.295 1.00 0.86 C ATOM 547 O ARG A 37 9.754 0.323 10.455 1.00 1.04 O ATOM 548 CB ARG A 37 10.549 -1.347 7.823 1.00 1.16 C ATOM 549 CG ARG A 37 10.771 -0.319 6.712 1.00 1.46 C ATOM 550 CD ARG A 37 11.673 0.820 7.190 1.00 2.17 C ATOM 551 NE ARG A 37 12.352 1.447 6.034 1.00 2.77 N ATOM 552 CZ ARG A 37 13.012 2.612 6.091 1.00 3.77 C ATOM 553 NH1 ARG A 37 13.085 3.284 7.248 1.00 4.55 N ATOM 554 NH2 ARG A 37 13.598 3.105 4.992 1.00 4.39 N ATOM 0 H ARG A 37 8.355 -1.163 6.673 1.00 0.58 H new ATOM 0 HA ARG A 37 9.078 -1.870 9.296 1.00 0.79 H new ATOM 0 HB2 ARG A 37 11.385 -1.318 8.522 1.00 1.16 H new ATOM 0 HB3 ARG A 37 10.525 -2.350 7.396 1.00 1.16 H new ATOM 0 HG2 ARG A 37 11.221 -0.805 5.847 1.00 1.46 H new ATOM 0 HG3 ARG A 37 9.812 0.084 6.388 1.00 1.46 H new ATOM 0 HD2 ARG A 37 11.081 1.565 7.722 1.00 2.17 H new ATOM 0 HD3 ARG A 37 12.413 0.438 7.894 1.00 2.17 H new ATOM 0 HE ARG A 37 12.315 0.962 5.137 1.00 2.77 H new ATOM 0 HH11 ARG A 37 12.638 2.909 8.085 1.00 4.55 H new ATOM 0 HH12 ARG A 37 13.587 4.171 7.292 1.00 4.55 H new ATOM 0 HH21 ARG A 37 13.542 2.594 4.111 1.00 4.39 H new ATOM 0 HH22 ARG A 37 14.100 3.992 5.036 1.00 4.39 H new ATOM 568 N SER A 38 8.977 1.323 8.581 1.00 0.87 N ATOM 569 CA SER A 38 9.025 2.662 9.143 1.00 1.12 C ATOM 570 C SER A 38 8.243 2.708 10.457 1.00 1.12 C ATOM 571 O SER A 38 8.509 3.551 11.312 1.00 1.41 O ATOM 572 CB SER A 38 8.468 3.692 8.158 1.00 1.19 C ATOM 573 OG SER A 38 9.238 4.892 8.147 1.00 1.72 O ATOM 0 H SER A 38 8.642 1.276 7.619 1.00 0.87 H new ATOM 0 HA SER A 38 10.067 2.913 9.340 1.00 1.12 H new ATOM 0 HB2 SER A 38 8.451 3.263 7.156 1.00 1.19 H new ATOM 0 HB3 SER A 38 7.437 3.926 8.422 1.00 1.19 H new ATOM 0 HG SER A 38 8.851 5.523 7.505 1.00 1.72 H new ATOM 579 N LEU A 39 7.295 1.790 10.576 1.00 0.90 N ATOM 580 CA LEU A 39 6.473 1.715 11.772 1.00 1.06 C ATOM 581 C LEU A 39 7.257 1.011 12.882 1.00 1.16 C ATOM 582 O LEU A 39 7.501 1.592 13.938 1.00 2.10 O ATOM 583 CB LEU A 39 5.128 1.057 11.457 1.00 1.02 C ATOM 584 CG LEU A 39 4.188 1.853 10.551 1.00 1.01 C ATOM 585 CD1 LEU A 39 3.070 0.963 10.004 1.00 1.10 C ATOM 586 CD2 LEU A 39 3.638 3.083 11.275 1.00 1.23 C ATOM 0 H LEU A 39 7.078 1.092 9.864 1.00 0.90 H new ATOM 0 HA LEU A 39 6.236 2.715 12.134 1.00 1.06 H new ATOM 0 HB2 LEU A 39 5.319 0.091 10.990 1.00 1.02 H new ATOM 0 HB3 LEU A 39 4.613 0.860 12.397 1.00 1.02 H new ATOM 0 HG LEU A 39 4.761 2.213 9.697 1.00 1.01 H new ATOM 0 HD11 LEU A 39 2.416 1.554 9.363 1.00 1.10 H new ATOM 0 HD12 LEU A 39 3.504 0.147 9.426 1.00 1.10 H new ATOM 0 HD13 LEU A 39 2.493 0.553 10.833 1.00 1.10 H new ATOM 0 HD21 LEU A 39 2.973 3.631 10.608 1.00 1.23 H new ATOM 0 HD22 LEU A 39 3.085 2.767 12.160 1.00 1.23 H new ATOM 0 HD23 LEU A 39 4.464 3.729 11.574 1.00 1.23 H new ATOM 598 N GLY A 40 7.631 -0.229 12.603 1.00 0.78 N ATOM 599 CA GLY A 40 8.383 -1.018 13.564 1.00 0.78 C ATOM 600 C GLY A 40 8.052 -2.506 13.431 1.00 0.89 C ATOM 601 O GLY A 40 7.609 -3.135 14.390 1.00 1.97 O ATOM 0 H GLY A 40 7.427 -0.707 11.725 1.00 0.78 H new ATOM 0 HA2 GLY A 40 9.451 -0.864 13.410 1.00 0.78 H new ATOM 0 HA3 GLY A 40 8.155 -0.680 14.575 1.00 0.78 H new ATOM 605 N GLN A 41 8.279 -3.025 12.233 1.00 0.85 N ATOM 606 CA GLN A 41 8.011 -4.426 11.962 1.00 0.84 C ATOM 607 C GLN A 41 9.228 -5.082 11.305 1.00 1.40 C ATOM 608 O GLN A 41 9.586 -6.210 11.640 1.00 3.40 O ATOM 609 CB GLN A 41 6.764 -4.587 11.090 1.00 0.62 C ATOM 610 CG GLN A 41 5.505 -4.706 11.952 1.00 1.44 C ATOM 611 CD GLN A 41 5.247 -6.161 12.348 1.00 2.32 C ATOM 612 OE1 GLN A 41 6.038 -6.796 13.026 1.00 3.41 O ATOM 613 NE2 GLN A 41 4.099 -6.652 11.889 1.00 2.87 N ATOM 0 H GLN A 41 8.646 -2.500 11.439 1.00 0.85 H new ATOM 0 HA GLN A 41 7.819 -4.929 12.910 1.00 0.84 H new ATOM 0 HB2 GLN A 41 6.671 -3.732 10.420 1.00 0.62 H new ATOM 0 HB3 GLN A 41 6.866 -5.473 10.464 1.00 0.62 H new ATOM 0 HG2 GLN A 41 5.615 -4.095 12.848 1.00 1.44 H new ATOM 0 HG3 GLN A 41 4.647 -4.317 11.404 1.00 1.44 H new ATOM 0 HE21 GLN A 41 3.482 -6.066 11.327 1.00 2.87 H new ATOM 0 HE22 GLN A 41 3.836 -7.615 12.100 1.00 2.87 H new ATOM 622 N ASN A 42 9.829 -4.347 10.380 1.00 0.77 N ATOM 623 CA ASN A 42 10.997 -4.843 9.673 1.00 0.70 C ATOM 624 C ASN A 42 10.621 -6.110 8.901 1.00 0.62 C ATOM 625 O ASN A 42 11.251 -7.153 9.070 1.00 0.66 O ATOM 626 CB ASN A 42 12.121 -5.200 10.648 1.00 0.84 C ATOM 627 CG ASN A 42 13.448 -4.580 10.206 1.00 1.28 C ATOM 628 OD1 ASN A 42 14.440 -5.258 9.998 1.00 1.89 O ATOM 629 ND2 ASN A 42 13.410 -3.257 10.076 1.00 1.41 N ATOM 0 H ASN A 42 9.529 -3.412 10.104 1.00 0.77 H new ATOM 0 HA ASN A 42 11.340 -4.059 8.998 1.00 0.70 H new ATOM 0 HB2 ASN A 42 11.866 -4.848 11.647 1.00 0.84 H new ATOM 0 HB3 ASN A 42 12.224 -6.283 10.709 1.00 0.84 H new ATOM 0 HD21 ASN A 42 14.246 -2.749 9.786 1.00 1.41 H new ATOM 0 HD22 ASN A 42 12.545 -2.750 10.266 1.00 1.41 H new ATOM 636 N PRO A 43 9.570 -5.973 8.050 1.00 0.61 N ATOM 637 CA PRO A 43 9.103 -7.094 7.252 1.00 0.61 C ATOM 638 C PRO A 43 10.055 -7.372 6.087 1.00 0.55 C ATOM 639 O PRO A 43 11.090 -6.720 5.957 1.00 0.65 O ATOM 640 CB PRO A 43 7.707 -6.699 6.797 1.00 0.70 C ATOM 641 CG PRO A 43 7.626 -5.190 6.965 1.00 0.76 C ATOM 642 CD PRO A 43 8.801 -4.753 7.825 1.00 0.71 C ATOM 0 HA PRO A 43 9.075 -8.027 7.814 1.00 0.61 H new ATOM 0 HB2 PRO A 43 7.539 -6.986 5.759 1.00 0.70 H new ATOM 0 HB3 PRO A 43 6.945 -7.200 7.394 1.00 0.70 H new ATOM 0 HG2 PRO A 43 7.659 -4.696 5.994 1.00 0.76 H new ATOM 0 HG3 PRO A 43 6.684 -4.908 7.435 1.00 0.76 H new ATOM 0 HD2 PRO A 43 9.400 -3.995 7.321 1.00 0.71 H new ATOM 0 HD3 PRO A 43 8.463 -4.319 8.766 1.00 0.71 H new ATOM 650 N THR A 44 9.671 -8.341 5.269 1.00 0.57 N ATOM 651 CA THR A 44 10.478 -8.714 4.119 1.00 0.57 C ATOM 652 C THR A 44 9.756 -8.348 2.821 1.00 0.50 C ATOM 653 O THR A 44 8.541 -8.506 2.716 1.00 0.51 O ATOM 654 CB THR A 44 10.805 -10.204 4.234 1.00 0.74 C ATOM 655 OG1 THR A 44 9.648 -10.767 4.846 1.00 0.83 O ATOM 656 CG2 THR A 44 11.928 -10.481 5.235 1.00 0.81 C ATOM 0 H THR A 44 8.812 -8.879 5.380 1.00 0.57 H new ATOM 0 HA THR A 44 11.418 -8.162 4.098 1.00 0.57 H new ATOM 0 HB THR A 44 11.088 -10.590 3.255 1.00 0.74 H new ATOM 0 HG1 THR A 44 9.774 -11.733 4.957 1.00 0.83 H new ATOM 0 HG21 THR A 44 12.121 -11.553 5.278 1.00 0.81 H new ATOM 0 HG22 THR A 44 12.833 -9.962 4.919 1.00 0.81 H new ATOM 0 HG23 THR A 44 11.632 -10.125 6.222 1.00 0.81 H new ATOM 664 N GLU A 45 10.535 -7.867 1.863 1.00 0.51 N ATOM 665 CA GLU A 45 9.986 -7.477 0.576 1.00 0.47 C ATOM 666 C GLU A 45 9.459 -8.705 -0.169 1.00 0.42 C ATOM 667 O GLU A 45 8.648 -8.579 -1.085 1.00 0.40 O ATOM 668 CB GLU A 45 11.027 -6.733 -0.262 1.00 0.56 C ATOM 669 CG GLU A 45 12.216 -7.638 -0.591 1.00 0.64 C ATOM 670 CD GLU A 45 13.534 -6.988 -0.167 1.00 1.89 C ATOM 671 OE1 GLU A 45 13.585 -6.508 0.986 1.00 3.38 O ATOM 672 OE2 GLU A 45 14.462 -6.986 -1.005 1.00 2.32 O ATOM 0 H GLU A 45 11.543 -7.739 1.953 1.00 0.51 H new ATOM 0 HA GLU A 45 9.153 -6.795 0.749 1.00 0.47 H new ATOM 0 HB2 GLU A 45 10.569 -6.378 -1.185 1.00 0.56 H new ATOM 0 HB3 GLU A 45 11.374 -5.853 0.280 1.00 0.56 H new ATOM 0 HG2 GLU A 45 12.099 -8.596 -0.084 1.00 0.64 H new ATOM 0 HG3 GLU A 45 12.236 -7.844 -1.661 1.00 0.64 H new ATOM 679 N ALA A 46 9.940 -9.865 0.252 1.00 0.43 N ATOM 680 CA ALA A 46 9.528 -11.115 -0.364 1.00 0.41 C ATOM 681 C ALA A 46 8.064 -11.392 -0.016 1.00 0.36 C ATOM 682 O ALA A 46 7.223 -11.515 -0.905 1.00 0.37 O ATOM 683 CB ALA A 46 10.458 -12.241 0.091 1.00 0.46 C ATOM 0 H ALA A 46 10.612 -9.966 1.013 1.00 0.43 H new ATOM 0 HA ALA A 46 9.603 -11.050 -1.449 1.00 0.41 H new ATOM 0 HB1 ALA A 46 10.148 -13.178 -0.372 1.00 0.46 H new ATOM 0 HB2 ALA A 46 11.481 -12.010 -0.206 1.00 0.46 H new ATOM 0 HB3 ALA A 46 10.408 -12.338 1.176 1.00 0.46 H new ATOM 689 N GLU A 47 7.804 -11.481 1.281 1.00 0.36 N ATOM 690 CA GLU A 47 6.457 -11.741 1.758 1.00 0.35 C ATOM 691 C GLU A 47 5.495 -10.668 1.242 1.00 0.35 C ATOM 692 O GLU A 47 4.349 -10.965 0.910 1.00 0.39 O ATOM 693 CB GLU A 47 6.422 -11.820 3.285 1.00 0.40 C ATOM 694 CG GLU A 47 7.043 -13.127 3.781 1.00 0.40 C ATOM 695 CD GLU A 47 5.960 -14.120 4.210 1.00 0.69 C ATOM 696 OE1 GLU A 47 5.372 -13.887 5.289 1.00 1.43 O ATOM 697 OE2 GLU A 47 5.745 -15.089 3.451 1.00 1.54 O ATOM 0 H GLU A 47 8.504 -11.378 2.016 1.00 0.36 H new ATOM 0 HA GLU A 47 6.135 -12.707 1.370 1.00 0.35 H new ATOM 0 HB2 GLU A 47 6.962 -10.973 3.709 1.00 0.40 H new ATOM 0 HB3 GLU A 47 5.392 -11.748 3.633 1.00 0.40 H new ATOM 0 HG2 GLU A 47 7.653 -13.567 2.992 1.00 0.40 H new ATOM 0 HG3 GLU A 47 7.707 -12.923 4.621 1.00 0.40 H new ATOM 704 N LEU A 48 5.998 -9.443 1.191 1.00 0.33 N ATOM 705 CA LEU A 48 5.197 -8.325 0.722 1.00 0.36 C ATOM 706 C LEU A 48 4.975 -8.461 -0.786 1.00 0.36 C ATOM 707 O LEU A 48 3.973 -7.981 -1.315 1.00 0.40 O ATOM 708 CB LEU A 48 5.839 -6.998 1.132 1.00 0.39 C ATOM 709 CG LEU A 48 5.557 -6.530 2.561 1.00 0.42 C ATOM 710 CD1 LEU A 48 4.053 -6.492 2.839 1.00 0.46 C ATOM 711 CD2 LEU A 48 6.306 -7.393 3.578 1.00 0.49 C ATOM 0 H LEU A 48 6.950 -9.200 1.467 1.00 0.33 H new ATOM 0 HA LEU A 48 4.214 -8.336 1.192 1.00 0.36 H new ATOM 0 HB2 LEU A 48 6.918 -7.085 1.006 1.00 0.39 H new ATOM 0 HB3 LEU A 48 5.499 -6.224 0.444 1.00 0.39 H new ATOM 0 HG LEU A 48 5.930 -5.511 2.667 1.00 0.42 H new ATOM 0 HD11 LEU A 48 3.880 -6.156 3.861 1.00 0.46 H new ATOM 0 HD12 LEU A 48 3.572 -5.803 2.145 1.00 0.46 H new ATOM 0 HD13 LEU A 48 3.634 -7.490 2.709 1.00 0.46 H new ATOM 0 HD21 LEU A 48 6.088 -7.039 4.586 1.00 0.49 H new ATOM 0 HD22 LEU A 48 5.986 -8.430 3.481 1.00 0.49 H new ATOM 0 HD23 LEU A 48 7.378 -7.325 3.393 1.00 0.49 H new ATOM 723 N GLN A 49 5.925 -9.117 -1.436 1.00 0.34 N ATOM 724 CA GLN A 49 5.845 -9.322 -2.872 1.00 0.35 C ATOM 725 C GLN A 49 4.596 -10.133 -3.224 1.00 0.30 C ATOM 726 O GLN A 49 3.984 -9.914 -4.268 1.00 0.26 O ATOM 727 CB GLN A 49 7.108 -10.004 -3.400 1.00 0.47 C ATOM 728 CG GLN A 49 7.192 -9.900 -4.924 1.00 0.51 C ATOM 729 CD GLN A 49 8.524 -10.450 -5.438 1.00 0.73 C ATOM 730 OE1 GLN A 49 9.588 -9.911 -5.182 1.00 1.84 O ATOM 731 NE2 GLN A 49 8.406 -11.550 -6.177 1.00 1.39 N ATOM 0 H GLN A 49 6.754 -9.514 -0.994 1.00 0.34 H new ATOM 0 HA GLN A 49 5.770 -8.347 -3.354 1.00 0.35 H new ATOM 0 HB2 GLN A 49 7.988 -9.544 -2.952 1.00 0.47 H new ATOM 0 HB3 GLN A 49 7.110 -11.053 -3.103 1.00 0.47 H new ATOM 0 HG2 GLN A 49 6.368 -10.452 -5.376 1.00 0.51 H new ATOM 0 HG3 GLN A 49 7.083 -8.859 -5.228 1.00 0.51 H new ATOM 0 HE21 GLN A 49 7.484 -11.950 -6.353 1.00 1.39 H new ATOM 0 HE22 GLN A 49 9.237 -11.994 -6.568 1.00 1.39 H new ATOM 740 N ASP A 50 4.255 -11.052 -2.332 1.00 0.34 N ATOM 741 CA ASP A 50 3.091 -11.896 -2.535 1.00 0.39 C ATOM 742 C ASP A 50 1.822 -11.066 -2.328 1.00 0.37 C ATOM 743 O ASP A 50 0.812 -11.293 -2.993 1.00 0.42 O ATOM 744 CB ASP A 50 3.068 -13.053 -1.534 1.00 0.50 C ATOM 745 CG ASP A 50 2.118 -14.198 -1.891 1.00 0.78 C ATOM 746 OD1 ASP A 50 2.407 -14.884 -2.895 1.00 2.13 O ATOM 747 OD2 ASP A 50 1.123 -14.361 -1.151 1.00 1.52 O ATOM 0 H ASP A 50 4.765 -11.230 -1.467 1.00 0.34 H new ATOM 0 HA ASP A 50 3.137 -12.296 -3.548 1.00 0.39 H new ATOM 0 HB2 ASP A 50 4.077 -13.454 -1.442 1.00 0.50 H new ATOM 0 HB3 ASP A 50 2.790 -12.662 -0.556 1.00 0.50 H new ATOM 752 N MET A 51 1.915 -10.122 -1.403 1.00 0.37 N ATOM 753 CA MET A 51 0.788 -9.257 -1.100 1.00 0.43 C ATOM 754 C MET A 51 0.522 -8.281 -2.248 1.00 0.44 C ATOM 755 O MET A 51 -0.593 -8.212 -2.764 1.00 0.51 O ATOM 756 CB MET A 51 1.075 -8.473 0.182 1.00 0.47 C ATOM 757 CG MET A 51 1.115 -9.404 1.396 1.00 0.72 C ATOM 758 SD MET A 51 -0.138 -8.923 2.574 1.00 1.41 S ATOM 759 CE MET A 51 -0.732 -10.532 3.067 1.00 2.63 C ATOM 0 H MET A 51 2.754 -9.937 -0.853 1.00 0.37 H new ATOM 0 HA MET A 51 -0.097 -9.879 -0.965 1.00 0.43 H new ATOM 0 HB2 MET A 51 2.027 -7.951 0.088 1.00 0.47 H new ATOM 0 HB3 MET A 51 0.308 -7.713 0.327 1.00 0.47 H new ATOM 0 HG2 MET A 51 0.953 -10.435 1.080 1.00 0.72 H new ATOM 0 HG3 MET A 51 2.099 -9.365 1.863 1.00 0.72 H new ATOM 0 HE1 MET A 51 -1.475 -10.419 3.857 1.00 2.63 H new ATOM 0 HE2 MET A 51 -1.186 -11.030 2.210 1.00 2.63 H new ATOM 0 HE3 MET A 51 0.101 -11.130 3.435 1.00 2.63 H new ATOM 769 N ILE A 52 1.565 -7.550 -2.613 1.00 0.40 N ATOM 770 CA ILE A 52 1.458 -6.580 -3.690 1.00 0.44 C ATOM 771 C ILE A 52 0.853 -7.256 -4.922 1.00 0.42 C ATOM 772 O ILE A 52 0.145 -6.618 -5.700 1.00 0.32 O ATOM 773 CB ILE A 52 2.813 -5.921 -3.954 1.00 0.43 C ATOM 774 CG1 ILE A 52 3.878 -6.970 -4.284 1.00 0.34 C ATOM 775 CG2 ILE A 52 3.229 -5.032 -2.780 1.00 0.49 C ATOM 776 CD1 ILE A 52 3.883 -7.293 -5.780 1.00 0.38 C ATOM 0 H ILE A 52 2.488 -7.610 -2.182 1.00 0.40 H new ATOM 0 HA ILE A 52 0.785 -5.770 -3.407 1.00 0.44 H new ATOM 0 HB ILE A 52 2.714 -5.276 -4.827 1.00 0.43 H new ATOM 0 HG12 ILE A 52 4.860 -6.604 -3.984 1.00 0.34 H new ATOM 0 HG13 ILE A 52 3.688 -7.879 -3.713 1.00 0.34 H new ATOM 0 HG21 ILE A 52 4.196 -4.576 -2.994 1.00 0.49 H new ATOM 0 HG22 ILE A 52 2.483 -4.251 -2.633 1.00 0.49 H new ATOM 0 HG23 ILE A 52 3.305 -5.636 -1.876 1.00 0.49 H new ATOM 0 HD11 ILE A 52 4.648 -8.041 -5.988 1.00 0.38 H new ATOM 0 HD12 ILE A 52 2.907 -7.682 -6.072 1.00 0.38 H new ATOM 0 HD13 ILE A 52 4.097 -6.387 -6.347 1.00 0.38 H new ATOM 788 N ASN A 53 1.153 -8.539 -5.061 1.00 0.58 N ATOM 789 CA ASN A 53 0.647 -9.309 -6.184 1.00 0.59 C ATOM 790 C ASN A 53 -0.878 -9.385 -6.100 1.00 0.49 C ATOM 791 O ASN A 53 -1.560 -9.402 -7.123 1.00 0.43 O ATOM 792 CB ASN A 53 1.194 -10.738 -6.164 1.00 0.80 C ATOM 793 CG ASN A 53 1.617 -11.183 -7.565 1.00 0.94 C ATOM 794 OD1 ASN A 53 0.890 -11.044 -8.535 1.00 1.44 O ATOM 795 ND2 ASN A 53 2.831 -11.725 -7.616 1.00 1.43 N ATOM 0 H ASN A 53 1.741 -9.065 -4.414 1.00 0.58 H new ATOM 0 HA ASN A 53 0.965 -8.814 -7.102 1.00 0.59 H new ATOM 0 HB2 ASN A 53 2.047 -10.795 -5.487 1.00 0.80 H new ATOM 0 HB3 ASN A 53 0.434 -11.417 -5.777 1.00 0.80 H new ATOM 0 HD21 ASN A 53 3.206 -12.054 -8.506 1.00 1.43 H new ATOM 0 HD22 ASN A 53 3.387 -11.811 -6.765 1.00 1.43 H new ATOM 802 N GLU A 54 -1.369 -9.429 -4.870 1.00 0.55 N ATOM 803 CA GLU A 54 -2.802 -9.503 -4.638 1.00 0.60 C ATOM 804 C GLU A 54 -3.462 -8.161 -4.963 1.00 0.49 C ATOM 805 O GLU A 54 -4.323 -8.084 -5.838 1.00 0.52 O ATOM 806 CB GLU A 54 -3.104 -9.928 -3.200 1.00 0.76 C ATOM 807 CG GLU A 54 -4.604 -10.150 -2.997 1.00 0.77 C ATOM 808 CD GLU A 54 -4.935 -11.643 -2.944 1.00 0.87 C ATOM 809 OE1 GLU A 54 -4.812 -12.213 -1.838 1.00 1.96 O ATOM 810 OE2 GLU A 54 -5.304 -12.181 -4.011 1.00 2.09 O ATOM 0 H GLU A 54 -0.800 -9.415 -4.024 1.00 0.55 H new ATOM 0 HA GLU A 54 -3.219 -10.261 -5.301 1.00 0.60 H new ATOM 0 HB2 GLU A 54 -2.562 -10.845 -2.967 1.00 0.76 H new ATOM 0 HB3 GLU A 54 -2.749 -9.163 -2.509 1.00 0.76 H new ATOM 0 HG2 GLU A 54 -4.924 -9.670 -2.072 1.00 0.77 H new ATOM 0 HG3 GLU A 54 -5.158 -9.680 -3.809 1.00 0.77 H new ATOM 817 N VAL A 55 -3.033 -7.136 -4.241 1.00 0.44 N ATOM 818 CA VAL A 55 -3.571 -5.802 -4.441 1.00 0.42 C ATOM 819 C VAL A 55 -3.490 -5.441 -5.926 1.00 0.34 C ATOM 820 O VAL A 55 -4.426 -4.867 -6.480 1.00 0.48 O ATOM 821 CB VAL A 55 -2.840 -4.802 -3.542 1.00 0.40 C ATOM 822 CG1 VAL A 55 -2.668 -5.360 -2.128 1.00 0.45 C ATOM 823 CG2 VAL A 55 -1.490 -4.409 -4.145 1.00 0.39 C ATOM 0 H VAL A 55 -2.318 -7.203 -3.516 1.00 0.44 H new ATOM 0 HA VAL A 55 -4.622 -5.768 -4.155 1.00 0.42 H new ATOM 0 HB VAL A 55 -3.451 -3.902 -3.474 1.00 0.40 H new ATOM 0 HG11 VAL A 55 -2.146 -4.630 -1.510 1.00 0.45 H new ATOM 0 HG12 VAL A 55 -3.648 -5.566 -1.697 1.00 0.45 H new ATOM 0 HG13 VAL A 55 -2.088 -6.282 -2.169 1.00 0.45 H new ATOM 0 HG21 VAL A 55 -0.991 -3.698 -3.487 1.00 0.39 H new ATOM 0 HG22 VAL A 55 -0.869 -5.298 -4.257 1.00 0.39 H new ATOM 0 HG23 VAL A 55 -1.647 -3.951 -5.122 1.00 0.39 H new ATOM 833 N ASP A 56 -2.363 -5.794 -6.527 1.00 0.24 N ATOM 834 CA ASP A 56 -2.148 -5.515 -7.936 1.00 0.27 C ATOM 835 C ASP A 56 -3.394 -5.919 -8.728 1.00 0.36 C ATOM 836 O ASP A 56 -3.647 -7.105 -8.931 1.00 0.60 O ATOM 837 CB ASP A 56 -0.962 -6.313 -8.481 1.00 0.59 C ATOM 838 CG ASP A 56 -0.638 -6.065 -9.956 1.00 0.69 C ATOM 839 OD1 ASP A 56 -0.572 -4.874 -10.329 1.00 0.77 O ATOM 840 OD2 ASP A 56 -0.464 -7.071 -10.676 1.00 0.96 O ATOM 0 H ASP A 56 -1.589 -6.271 -6.064 1.00 0.24 H new ATOM 0 HA ASP A 56 -1.944 -4.449 -8.041 1.00 0.27 H new ATOM 0 HB2 ASP A 56 -0.080 -6.076 -7.886 1.00 0.59 H new ATOM 0 HB3 ASP A 56 -1.164 -7.375 -8.343 1.00 0.59 H new ATOM 845 N ALA A 57 -4.139 -4.909 -9.153 1.00 0.46 N ATOM 846 CA ALA A 57 -5.352 -5.144 -9.918 1.00 0.73 C ATOM 847 C ALA A 57 -5.075 -4.879 -11.399 1.00 0.74 C ATOM 848 O ALA A 57 -5.274 -5.756 -12.238 1.00 0.84 O ATOM 849 CB ALA A 57 -6.479 -4.267 -9.369 1.00 0.98 C ATOM 0 H ALA A 57 -3.926 -3.926 -8.982 1.00 0.46 H new ATOM 0 HA ALA A 57 -5.671 -6.182 -9.823 1.00 0.73 H new ATOM 0 HB1 ALA A 57 -7.389 -4.443 -9.942 1.00 0.98 H new ATOM 0 HB2 ALA A 57 -6.656 -4.515 -8.322 1.00 0.98 H new ATOM 0 HB3 ALA A 57 -6.196 -3.218 -9.450 1.00 0.98 H new ATOM 855 N ASP A 58 -4.621 -3.665 -11.676 1.00 0.70 N ATOM 856 CA ASP A 58 -4.315 -3.274 -13.041 1.00 0.73 C ATOM 857 C ASP A 58 -3.428 -4.341 -13.686 1.00 0.72 C ATOM 858 O ASP A 58 -3.510 -4.576 -14.891 1.00 0.77 O ATOM 859 CB ASP A 58 -3.557 -1.945 -13.077 1.00 0.76 C ATOM 860 CG ASP A 58 -2.042 -2.060 -12.904 1.00 1.32 C ATOM 861 OD1 ASP A 58 -1.409 -2.639 -13.814 1.00 3.13 O ATOM 862 OD2 ASP A 58 -1.549 -1.566 -11.867 1.00 1.31 O ATOM 0 H ASP A 58 -4.458 -2.940 -10.978 1.00 0.70 H new ATOM 0 HA ASP A 58 -5.256 -3.167 -13.580 1.00 0.73 H new ATOM 0 HB2 ASP A 58 -3.763 -1.452 -14.027 1.00 0.76 H new ATOM 0 HB3 ASP A 58 -3.949 -1.299 -12.292 1.00 0.76 H new ATOM 867 N GLY A 59 -2.601 -4.959 -12.856 1.00 0.68 N ATOM 868 CA GLY A 59 -1.700 -5.995 -13.330 1.00 0.69 C ATOM 869 C GLY A 59 -0.280 -5.452 -13.500 1.00 0.69 C ATOM 870 O GLY A 59 -0.050 -4.542 -14.295 1.00 1.09 O ATOM 0 H GLY A 59 -2.536 -4.762 -11.857 1.00 0.68 H new ATOM 0 HA2 GLY A 59 -1.693 -6.826 -12.625 1.00 0.69 H new ATOM 0 HA3 GLY A 59 -2.059 -6.387 -14.281 1.00 0.69 H new ATOM 874 N ASP A 60 0.636 -6.032 -12.739 1.00 0.40 N ATOM 875 CA ASP A 60 2.028 -5.617 -12.794 1.00 0.46 C ATOM 876 C ASP A 60 2.761 -6.139 -11.557 1.00 0.51 C ATOM 877 O ASP A 60 3.739 -6.876 -11.675 1.00 0.65 O ATOM 878 CB ASP A 60 2.148 -4.092 -12.807 1.00 0.50 C ATOM 879 CG ASP A 60 1.260 -3.365 -11.795 1.00 1.02 C ATOM 880 OD1 ASP A 60 0.033 -3.338 -12.032 1.00 1.07 O ATOM 881 OD2 ASP A 60 1.829 -2.853 -10.806 1.00 2.74 O ATOM 0 H ASP A 60 0.442 -6.786 -12.081 1.00 0.40 H new ATOM 0 HA ASP A 60 2.464 -6.021 -13.708 1.00 0.46 H new ATOM 0 HB2 ASP A 60 3.187 -3.823 -12.616 1.00 0.50 H new ATOM 0 HB3 ASP A 60 1.904 -3.732 -13.806 1.00 0.50 H new ATOM 886 N GLY A 61 2.260 -5.736 -10.398 1.00 0.48 N ATOM 887 CA GLY A 61 2.856 -6.154 -9.140 1.00 0.61 C ATOM 888 C GLY A 61 2.988 -4.973 -8.177 1.00 0.85 C ATOM 889 O GLY A 61 3.038 -5.160 -6.962 1.00 2.02 O ATOM 0 H GLY A 61 1.449 -5.125 -10.304 1.00 0.48 H new ATOM 0 HA2 GLY A 61 2.244 -6.933 -8.685 1.00 0.61 H new ATOM 0 HA3 GLY A 61 3.838 -6.588 -9.325 1.00 0.61 H new ATOM 893 N THR A 62 3.040 -3.782 -8.756 1.00 0.46 N ATOM 894 CA THR A 62 3.166 -2.570 -7.964 1.00 0.40 C ATOM 895 C THR A 62 1.814 -2.188 -7.357 1.00 0.35 C ATOM 896 O THR A 62 0.786 -2.765 -7.708 1.00 0.37 O ATOM 897 CB THR A 62 3.761 -1.480 -8.858 1.00 0.49 C ATOM 898 OG1 THR A 62 5.053 -1.976 -9.195 1.00 0.73 O ATOM 899 CG2 THR A 62 4.045 -0.186 -8.093 1.00 0.49 C ATOM 0 H THR A 62 2.997 -3.631 -9.764 1.00 0.46 H new ATOM 0 HA THR A 62 3.837 -2.718 -7.118 1.00 0.40 H new ATOM 0 HB THR A 62 3.078 -1.272 -9.681 1.00 0.49 H new ATOM 0 HG1 THR A 62 5.510 -1.332 -9.775 1.00 0.73 H new ATOM 0 HG21 THR A 62 4.466 0.554 -8.774 1.00 0.49 H new ATOM 0 HG22 THR A 62 3.117 0.197 -7.669 1.00 0.49 H new ATOM 0 HG23 THR A 62 4.755 -0.386 -7.290 1.00 0.49 H new ATOM 907 N ILE A 63 1.860 -1.217 -6.456 1.00 0.39 N ATOM 908 CA ILE A 63 0.652 -0.750 -5.797 1.00 0.39 C ATOM 909 C ILE A 63 0.226 0.586 -6.409 1.00 0.45 C ATOM 910 O ILE A 63 0.963 1.174 -7.199 1.00 0.67 O ATOM 911 CB ILE A 63 0.855 -0.696 -4.282 1.00 0.41 C ATOM 912 CG1 ILE A 63 1.553 -1.960 -3.776 1.00 0.43 C ATOM 913 CG2 ILE A 63 -0.470 -0.446 -3.559 1.00 0.52 C ATOM 914 CD1 ILE A 63 1.627 -1.972 -2.248 1.00 0.60 C ATOM 0 H ILE A 63 2.715 -0.741 -6.167 1.00 0.39 H new ATOM 0 HA ILE A 63 -0.167 -1.451 -5.961 1.00 0.39 H new ATOM 0 HB ILE A 63 1.509 0.146 -4.056 1.00 0.41 H new ATOM 0 HG12 ILE A 63 1.014 -2.841 -4.124 1.00 0.43 H new ATOM 0 HG13 ILE A 63 2.559 -2.016 -4.193 1.00 0.43 H new ATOM 0 HG21 ILE A 63 -0.297 -0.412 -2.483 1.00 0.52 H new ATOM 0 HG22 ILE A 63 -0.891 0.504 -3.889 1.00 0.52 H new ATOM 0 HG23 ILE A 63 -1.168 -1.251 -3.789 1.00 0.52 H new ATOM 0 HD11 ILE A 63 2.128 -2.881 -1.915 1.00 0.60 H new ATOM 0 HD12 ILE A 63 2.187 -1.103 -1.904 1.00 0.60 H new ATOM 0 HD13 ILE A 63 0.619 -1.941 -1.835 1.00 0.60 H new ATOM 926 N ASP A 64 -0.962 1.026 -6.020 1.00 0.45 N ATOM 927 CA ASP A 64 -1.495 2.282 -6.520 1.00 0.52 C ATOM 928 C ASP A 64 -2.457 2.870 -5.487 1.00 0.50 C ATOM 929 O ASP A 64 -2.986 2.148 -4.643 1.00 0.68 O ATOM 930 CB ASP A 64 -2.271 2.072 -7.822 1.00 0.56 C ATOM 931 CG ASP A 64 -2.166 3.218 -8.830 1.00 1.28 C ATOM 932 OD1 ASP A 64 -1.016 3.595 -9.142 1.00 2.09 O ATOM 933 OD2 ASP A 64 -3.238 3.691 -9.265 1.00 2.43 O ATOM 0 H ASP A 64 -1.570 0.535 -5.365 1.00 0.45 H new ATOM 0 HA ASP A 64 -0.657 2.954 -6.704 1.00 0.52 H new ATOM 0 HB2 ASP A 64 -1.915 1.157 -8.296 1.00 0.56 H new ATOM 0 HB3 ASP A 64 -3.322 1.917 -7.580 1.00 0.56 H new ATOM 938 N PHE A 65 -2.655 4.177 -5.586 1.00 0.46 N ATOM 939 CA PHE A 65 -3.544 4.871 -4.670 1.00 0.51 C ATOM 940 C PHE A 65 -4.890 4.150 -4.560 1.00 0.51 C ATOM 941 O PHE A 65 -5.355 3.861 -3.459 1.00 0.52 O ATOM 942 CB PHE A 65 -3.774 6.270 -5.244 1.00 0.61 C ATOM 943 CG PHE A 65 -3.460 7.403 -4.265 1.00 0.87 C ATOM 944 CD1 PHE A 65 -3.920 7.345 -2.986 1.00 0.36 C ATOM 945 CD2 PHE A 65 -2.720 8.469 -4.673 1.00 2.05 C ATOM 946 CE1 PHE A 65 -3.629 8.397 -2.078 1.00 0.42 C ATOM 947 CE2 PHE A 65 -2.428 9.521 -3.764 1.00 2.34 C ATOM 948 CZ PHE A 65 -2.889 9.462 -2.486 1.00 1.42 C ATOM 0 H PHE A 65 -2.215 4.773 -6.287 1.00 0.46 H new ATOM 0 HA PHE A 65 -3.099 4.907 -3.676 1.00 0.51 H new ATOM 0 HB2 PHE A 65 -3.158 6.392 -6.135 1.00 0.61 H new ATOM 0 HB3 PHE A 65 -4.813 6.355 -5.561 1.00 0.61 H new ATOM 0 HD1 PHE A 65 -4.507 6.498 -2.661 1.00 0.36 H new ATOM 0 HD2 PHE A 65 -2.354 8.516 -5.688 1.00 2.05 H new ATOM 0 HE1 PHE A 65 -3.996 8.351 -1.063 1.00 0.42 H new ATOM 0 HE2 PHE A 65 -1.840 10.367 -4.088 1.00 2.34 H new ATOM 0 HZ PHE A 65 -2.667 10.262 -1.795 1.00 1.42 H new ATOM 958 N PRO A 66 -5.492 3.874 -5.748 1.00 0.56 N ATOM 959 CA PRO A 66 -6.775 3.193 -5.796 1.00 0.65 C ATOM 960 C PRO A 66 -6.616 1.702 -5.491 1.00 0.64 C ATOM 961 O PRO A 66 -7.530 1.072 -4.962 1.00 0.78 O ATOM 962 CB PRO A 66 -7.310 3.460 -7.193 1.00 0.75 C ATOM 963 CG PRO A 66 -6.110 3.883 -8.025 1.00 0.69 C ATOM 964 CD PRO A 66 -4.970 4.202 -7.071 1.00 0.57 C ATOM 0 HA PRO A 66 -7.472 3.556 -5.041 1.00 0.65 H new ATOM 0 HB2 PRO A 66 -7.779 2.568 -7.609 1.00 0.75 H new ATOM 0 HB3 PRO A 66 -8.070 4.242 -7.178 1.00 0.75 H new ATOM 0 HG2 PRO A 66 -5.822 3.087 -8.711 1.00 0.69 H new ATOM 0 HG3 PRO A 66 -6.355 4.754 -8.632 1.00 0.69 H new ATOM 0 HD2 PRO A 66 -4.082 3.614 -7.304 1.00 0.57 H new ATOM 0 HD3 PRO A 66 -4.682 5.251 -7.134 1.00 0.57 H new ATOM 972 N GLU A 67 -5.448 1.181 -5.838 1.00 0.54 N ATOM 973 CA GLU A 67 -5.157 -0.224 -5.608 1.00 0.57 C ATOM 974 C GLU A 67 -5.002 -0.495 -4.110 1.00 0.52 C ATOM 975 O GLU A 67 -5.685 -1.357 -3.558 1.00 0.61 O ATOM 976 CB GLU A 67 -3.907 -0.658 -6.376 1.00 0.56 C ATOM 977 CG GLU A 67 -4.247 -0.999 -7.829 1.00 0.58 C ATOM 978 CD GLU A 67 -3.043 -1.614 -8.544 1.00 0.58 C ATOM 979 OE1 GLU A 67 -2.234 -2.258 -7.841 1.00 1.50 O ATOM 980 OE2 GLU A 67 -2.958 -1.427 -9.777 1.00 2.06 O ATOM 0 H GLU A 67 -4.692 1.707 -6.277 1.00 0.54 H new ATOM 0 HA GLU A 67 -5.995 -0.814 -5.980 1.00 0.57 H new ATOM 0 HB2 GLU A 67 -3.165 0.140 -6.350 1.00 0.56 H new ATOM 0 HB3 GLU A 67 -3.460 -1.525 -5.890 1.00 0.56 H new ATOM 0 HG2 GLU A 67 -5.085 -1.695 -7.856 1.00 0.58 H new ATOM 0 HG3 GLU A 67 -4.564 -0.097 -8.353 1.00 0.58 H new ATOM 987 N PHE A 68 -4.100 0.256 -3.495 1.00 0.44 N ATOM 988 CA PHE A 68 -3.847 0.107 -2.072 1.00 0.42 C ATOM 989 C PHE A 68 -5.131 0.296 -1.264 1.00 0.41 C ATOM 990 O PHE A 68 -5.394 -0.453 -0.324 1.00 0.43 O ATOM 991 CB PHE A 68 -2.846 1.195 -1.680 1.00 0.39 C ATOM 992 CG PHE A 68 -1.997 0.848 -0.455 1.00 0.58 C ATOM 993 CD1 PHE A 68 -1.487 -0.405 -0.314 1.00 1.31 C ATOM 994 CD2 PHE A 68 -1.753 1.792 0.493 1.00 0.35 C ATOM 995 CE1 PHE A 68 -0.699 -0.727 0.822 1.00 1.59 C ATOM 996 CE2 PHE A 68 -0.965 1.470 1.630 1.00 0.46 C ATOM 997 CZ PHE A 68 -0.455 0.217 1.770 1.00 1.11 C ATOM 0 H PHE A 68 -3.535 0.969 -3.956 1.00 0.44 H new ATOM 0 HA PHE A 68 -3.464 -0.892 -1.865 1.00 0.42 H new ATOM 0 HB2 PHE A 68 -2.185 1.387 -2.525 1.00 0.39 H new ATOM 0 HB3 PHE A 68 -3.389 2.120 -1.483 1.00 0.39 H new ATOM 0 HD1 PHE A 68 -1.682 -1.155 -1.066 1.00 1.31 H new ATOM 0 HD2 PHE A 68 -2.158 2.787 0.381 1.00 0.35 H new ATOM 0 HE1 PHE A 68 -0.293 -1.722 0.933 1.00 1.59 H new ATOM 0 HE2 PHE A 68 -0.771 2.220 2.383 1.00 0.46 H new ATOM 0 HZ PHE A 68 0.144 -0.028 2.634 1.00 1.11 H new ATOM 1007 N LEU A 69 -5.898 1.303 -1.659 1.00 0.43 N ATOM 1008 CA LEU A 69 -7.149 1.600 -0.982 1.00 0.46 C ATOM 1009 C LEU A 69 -7.868 0.291 -0.649 1.00 0.38 C ATOM 1010 O LEU A 69 -8.435 0.149 0.433 1.00 0.46 O ATOM 1011 CB LEU A 69 -7.991 2.569 -1.815 1.00 0.59 C ATOM 1012 CG LEU A 69 -9.222 1.971 -2.499 1.00 1.38 C ATOM 1013 CD1 LEU A 69 -10.335 1.699 -1.486 1.00 1.97 C ATOM 1014 CD2 LEU A 69 -9.698 2.862 -3.648 1.00 2.14 C ATOM 0 H LEU A 69 -5.677 1.923 -2.439 1.00 0.43 H new ATOM 0 HA LEU A 69 -6.959 2.109 -0.037 1.00 0.46 H new ATOM 0 HB2 LEU A 69 -8.319 3.383 -1.168 1.00 0.59 H new ATOM 0 HB3 LEU A 69 -7.352 3.008 -2.581 1.00 0.59 H new ATOM 0 HG LEU A 69 -8.939 1.011 -2.931 1.00 1.38 H new ATOM 0 HD11 LEU A 69 -11.198 1.274 -1.999 1.00 1.97 H new ATOM 0 HD12 LEU A 69 -9.978 0.996 -0.733 1.00 1.97 H new ATOM 0 HD13 LEU A 69 -10.623 2.633 -1.003 1.00 1.97 H new ATOM 0 HD21 LEU A 69 -10.574 2.414 -4.117 1.00 2.14 H new ATOM 0 HD22 LEU A 69 -9.958 3.847 -3.261 1.00 2.14 H new ATOM 0 HD23 LEU A 69 -8.902 2.960 -4.386 1.00 2.14 H new ATOM 1026 N THR A 70 -7.820 -0.631 -1.599 1.00 0.36 N ATOM 1027 CA THR A 70 -8.460 -1.923 -1.420 1.00 0.42 C ATOM 1028 C THR A 70 -7.700 -2.756 -0.385 1.00 0.42 C ATOM 1029 O THR A 70 -8.308 -3.386 0.478 1.00 0.50 O ATOM 1030 CB THR A 70 -8.557 -2.597 -2.790 1.00 0.53 C ATOM 1031 OG1 THR A 70 -9.573 -1.863 -3.467 1.00 0.62 O ATOM 1032 CG2 THR A 70 -9.117 -4.018 -2.705 1.00 0.63 C ATOM 0 H THR A 70 -7.348 -0.509 -2.495 1.00 0.36 H new ATOM 0 HA THR A 70 -9.470 -1.813 -1.024 1.00 0.42 H new ATOM 0 HB THR A 70 -7.570 -2.623 -3.252 1.00 0.53 H new ATOM 0 HG1 THR A 70 -9.700 -2.233 -4.366 1.00 0.62 H new ATOM 0 HG21 THR A 70 -9.165 -4.451 -3.704 1.00 0.63 H new ATOM 0 HG22 THR A 70 -8.468 -4.628 -2.076 1.00 0.63 H new ATOM 0 HG23 THR A 70 -10.118 -3.990 -2.274 1.00 0.63 H new ATOM 1040 N MET A 71 -6.380 -2.731 -0.507 1.00 0.42 N ATOM 1041 CA MET A 71 -5.530 -3.475 0.407 1.00 0.50 C ATOM 1042 C MET A 71 -5.965 -3.260 1.858 1.00 0.48 C ATOM 1043 O MET A 71 -6.327 -4.211 2.549 1.00 0.54 O ATOM 1044 CB MET A 71 -4.078 -3.024 0.236 1.00 0.60 C ATOM 1045 CG MET A 71 -3.144 -3.828 1.142 1.00 0.63 C ATOM 1046 SD MET A 71 -3.320 -5.572 0.806 1.00 2.37 S ATOM 1047 CE MET A 71 -1.963 -6.213 1.773 1.00 2.37 C ATOM 0 H MET A 71 -5.879 -2.207 -1.225 1.00 0.42 H new ATOM 0 HA MET A 71 -5.619 -4.536 0.174 1.00 0.50 H new ATOM 0 HB2 MET A 71 -3.776 -3.146 -0.804 1.00 0.60 H new ATOM 0 HB3 MET A 71 -3.993 -1.963 0.470 1.00 0.60 H new ATOM 0 HG2 MET A 71 -2.111 -3.520 0.978 1.00 0.63 H new ATOM 0 HG3 MET A 71 -3.375 -3.626 2.188 1.00 0.63 H new ATOM 0 HE1 MET A 71 -2.143 -7.264 2.001 1.00 2.37 H new ATOM 0 HE2 MET A 71 -1.036 -6.118 1.207 1.00 2.37 H new ATOM 0 HE3 MET A 71 -1.880 -5.649 2.702 1.00 2.37 H new ATOM 1057 N MET A 72 -5.914 -2.004 2.277 1.00 0.45 N ATOM 1058 CA MET A 72 -6.298 -1.652 3.634 1.00 0.51 C ATOM 1059 C MET A 72 -7.744 -2.061 3.918 1.00 0.47 C ATOM 1060 O MET A 72 -8.002 -2.853 4.824 1.00 0.55 O ATOM 1061 CB MET A 72 -6.146 -0.143 3.832 1.00 0.56 C ATOM 1062 CG MET A 72 -5.160 0.166 4.961 1.00 1.08 C ATOM 1063 SD MET A 72 -6.026 0.261 6.519 1.00 2.21 S ATOM 1064 CE MET A 72 -4.733 -0.277 7.626 1.00 2.68 C ATOM 0 H MET A 72 -5.613 -1.218 1.701 1.00 0.45 H new ATOM 0 HA MET A 72 -5.647 -2.186 4.326 1.00 0.51 H new ATOM 0 HB2 MET A 72 -5.799 0.316 2.906 1.00 0.56 H new ATOM 0 HB3 MET A 72 -7.117 0.297 4.062 1.00 0.56 H new ATOM 0 HG2 MET A 72 -4.394 -0.608 5.008 1.00 1.08 H new ATOM 0 HG3 MET A 72 -4.649 1.108 4.761 1.00 1.08 H new ATOM 0 HE1 MET A 72 -5.107 -0.276 8.650 1.00 2.68 H new ATOM 0 HE2 MET A 72 -4.418 -1.285 7.355 1.00 2.68 H new ATOM 0 HE3 MET A 72 -3.883 0.401 7.550 1.00 2.68 H new ATOM 1074 N ALA A 73 -8.650 -1.504 3.128 1.00 0.41 N ATOM 1075 CA ALA A 73 -10.063 -1.801 3.284 1.00 0.46 C ATOM 1076 C ALA A 73 -10.243 -3.305 3.499 1.00 0.54 C ATOM 1077 O ALA A 73 -10.815 -3.728 4.503 1.00 0.64 O ATOM 1078 CB ALA A 73 -10.830 -1.291 2.062 1.00 0.45 C ATOM 0 H ALA A 73 -8.432 -0.848 2.378 1.00 0.41 H new ATOM 0 HA ALA A 73 -10.468 -1.292 4.159 1.00 0.46 H new ATOM 0 HB1 ALA A 73 -11.891 -1.514 2.179 1.00 0.45 H new ATOM 0 HB2 ALA A 73 -10.694 -0.213 1.970 1.00 0.45 H new ATOM 0 HB3 ALA A 73 -10.453 -1.782 1.165 1.00 0.45 H new ATOM 1084 N ARG A 74 -9.744 -4.071 2.541 1.00 0.52 N ATOM 1085 CA ARG A 74 -9.842 -5.519 2.613 1.00 0.64 C ATOM 1086 C ARG A 74 -9.114 -6.040 3.854 1.00 0.69 C ATOM 1087 O ARG A 74 -9.575 -6.979 4.500 1.00 0.82 O ATOM 1088 CB ARG A 74 -9.244 -6.175 1.367 1.00 0.66 C ATOM 1089 CG ARG A 74 -10.162 -5.992 0.157 1.00 0.68 C ATOM 1090 CD ARG A 74 -11.176 -7.134 0.059 1.00 0.92 C ATOM 1091 NE ARG A 74 -12.534 -6.588 -0.157 1.00 2.02 N ATOM 1092 CZ ARG A 74 -13.014 -6.219 -1.352 1.00 2.76 C ATOM 1093 NH1 ARG A 74 -12.249 -6.335 -2.446 1.00 3.35 N ATOM 1094 NH2 ARG A 74 -14.259 -5.734 -1.454 1.00 4.04 N ATOM 0 H ARG A 74 -9.270 -3.716 1.710 1.00 0.52 H new ATOM 0 HA ARG A 74 -10.900 -5.776 2.673 1.00 0.64 H new ATOM 0 HB2 ARG A 74 -8.267 -5.740 1.156 1.00 0.66 H new ATOM 0 HB3 ARG A 74 -9.087 -7.238 1.551 1.00 0.66 H new ATOM 0 HG2 ARG A 74 -10.688 -5.040 0.236 1.00 0.68 H new ATOM 0 HG3 ARG A 74 -9.565 -5.952 -0.754 1.00 0.68 H new ATOM 0 HD2 ARG A 74 -10.908 -7.800 -0.761 1.00 0.92 H new ATOM 0 HD3 ARG A 74 -11.155 -7.729 0.972 1.00 0.92 H new ATOM 0 HE ARG A 74 -13.143 -6.486 0.655 1.00 2.02 H new ATOM 0 HH11 ARG A 74 -11.301 -6.704 -2.369 1.00 3.35 H new ATOM 0 HH12 ARG A 74 -12.614 -6.054 -3.356 1.00 3.35 H new ATOM 0 HH21 ARG A 74 -14.842 -5.646 -0.621 1.00 4.04 H new ATOM 0 HH22 ARG A 74 -14.624 -5.453 -2.364 1.00 4.04 H new ATOM 1108 N LYS A 75 -7.988 -5.406 4.149 1.00 0.63 N ATOM 1109 CA LYS A 75 -7.192 -5.794 5.301 1.00 0.72 C ATOM 1110 C LYS A 75 -8.119 -6.081 6.484 1.00 0.77 C ATOM 1111 O LYS A 75 -8.080 -7.168 7.058 1.00 0.92 O ATOM 1112 CB LYS A 75 -6.128 -4.735 5.597 1.00 0.77 C ATOM 1113 CG LYS A 75 -4.812 -5.385 6.030 1.00 0.88 C ATOM 1114 CD LYS A 75 -4.066 -5.966 4.827 1.00 1.74 C ATOM 1115 CE LYS A 75 -4.309 -7.472 4.706 1.00 2.00 C ATOM 1116 NZ LYS A 75 -3.023 -8.198 4.614 1.00 2.74 N ATOM 0 H LYS A 75 -7.609 -4.627 3.611 1.00 0.63 H new ATOM 0 HA LYS A 75 -6.646 -6.714 5.094 1.00 0.72 H new ATOM 0 HB2 LYS A 75 -5.961 -4.124 4.710 1.00 0.77 H new ATOM 0 HB3 LYS A 75 -6.483 -4.067 6.382 1.00 0.77 H new ATOM 0 HG2 LYS A 75 -4.185 -4.647 6.530 1.00 0.88 H new ATOM 0 HG3 LYS A 75 -5.013 -6.175 6.754 1.00 0.88 H new ATOM 0 HD2 LYS A 75 -4.394 -5.467 3.915 1.00 1.74 H new ATOM 0 HD3 LYS A 75 -2.998 -5.773 4.929 1.00 1.74 H new ATOM 0 HE2 LYS A 75 -4.872 -7.826 5.569 1.00 2.00 H new ATOM 0 HE3 LYS A 75 -4.914 -7.679 3.824 1.00 2.00 H new ATOM 0 HZ1 LYS A 75 -3.136 -9.027 3.996 1.00 2.74 H new ATOM 0 HZ2 LYS A 75 -2.296 -7.568 4.218 1.00 2.74 H new ATOM 0 HZ3 LYS A 75 -2.732 -8.510 5.562 1.00 2.74 H new ATOM 1130 N MET A 76 -8.931 -5.087 6.813 1.00 0.77 N ATOM 1131 CA MET A 76 -9.867 -5.220 7.916 1.00 0.94 C ATOM 1132 C MET A 76 -10.813 -6.402 7.694 1.00 1.10 C ATOM 1133 O MET A 76 -11.102 -7.153 8.624 1.00 1.35 O ATOM 1134 CB MET A 76 -10.682 -3.932 8.052 1.00 1.08 C ATOM 1135 CG MET A 76 -10.132 -3.052 9.176 1.00 1.82 C ATOM 1136 SD MET A 76 -11.477 -2.366 10.128 1.00 2.25 S ATOM 1137 CE MET A 76 -11.402 -3.413 11.572 1.00 3.80 C ATOM 0 H MET A 76 -8.960 -4.186 6.335 1.00 0.77 H new ATOM 0 HA MET A 76 -9.300 -5.400 8.829 1.00 0.94 H new ATOM 0 HB2 MET A 76 -10.660 -3.382 7.111 1.00 1.08 H new ATOM 0 HB3 MET A 76 -11.725 -4.177 8.254 1.00 1.08 H new ATOM 0 HG2 MET A 76 -9.480 -3.639 9.823 1.00 1.82 H new ATOM 0 HG3 MET A 76 -9.526 -2.249 8.757 1.00 1.82 H new ATOM 0 HE1 MET A 76 -12.181 -3.119 12.276 1.00 3.80 H new ATOM 0 HE2 MET A 76 -11.553 -4.451 11.277 1.00 3.80 H new ATOM 0 HE3 MET A 76 -10.426 -3.309 12.046 1.00 3.80 H new ATOM 1147 N LYS A 77 -11.269 -6.529 6.457 1.00 1.03 N ATOM 1148 CA LYS A 77 -12.176 -7.607 6.101 1.00 1.25 C ATOM 1149 C LYS A 77 -11.498 -8.951 6.375 1.00 1.42 C ATOM 1150 O LYS A 77 -11.992 -9.749 7.169 1.00 1.72 O ATOM 1151 CB LYS A 77 -12.660 -7.445 4.659 1.00 1.17 C ATOM 1152 CG LYS A 77 -14.170 -7.677 4.558 1.00 1.27 C ATOM 1153 CD LYS A 77 -14.607 -7.810 3.098 1.00 1.99 C ATOM 1154 CE LYS A 77 -15.286 -6.528 2.610 1.00 1.89 C ATOM 1155 NZ LYS A 77 -16.732 -6.758 2.392 1.00 2.44 N ATOM 0 H LYS A 77 -11.027 -5.903 5.688 1.00 1.03 H new ATOM 0 HA LYS A 77 -13.072 -7.570 6.720 1.00 1.25 H new ATOM 0 HB2 LYS A 77 -12.417 -6.445 4.300 1.00 1.17 H new ATOM 0 HB3 LYS A 77 -12.136 -8.151 4.014 1.00 1.17 H new ATOM 0 HG2 LYS A 77 -14.440 -8.580 5.106 1.00 1.27 H new ATOM 0 HG3 LYS A 77 -14.701 -6.848 5.026 1.00 1.27 H new ATOM 0 HD2 LYS A 77 -13.740 -8.027 2.474 1.00 1.99 H new ATOM 0 HD3 LYS A 77 -15.293 -8.651 2.995 1.00 1.99 H new ATOM 0 HE2 LYS A 77 -15.145 -5.733 3.342 1.00 1.89 H new ATOM 0 HE3 LYS A 77 -14.821 -6.194 1.683 1.00 1.89 H new ATOM 0 HZ1 LYS A 77 -17.177 -5.878 2.061 1.00 2.44 H new ATOM 0 HZ2 LYS A 77 -16.861 -7.502 1.677 1.00 2.44 H new ATOM 0 HZ3 LYS A 77 -17.175 -7.056 3.285 1.00 2.44 H new ATOM 1169 N ASP A 78 -10.375 -9.159 5.703 1.00 1.36 N ATOM 1170 CA ASP A 78 -9.624 -10.392 5.864 1.00 1.66 C ATOM 1171 C ASP A 78 -9.342 -10.622 7.350 1.00 1.84 C ATOM 1172 O ASP A 78 -9.757 -11.632 7.915 1.00 2.13 O ATOM 1173 CB ASP A 78 -8.281 -10.318 5.134 1.00 1.71 C ATOM 1174 CG ASP A 78 -7.992 -11.488 4.192 1.00 2.12 C ATOM 1175 OD1 ASP A 78 -7.691 -12.581 4.719 1.00 2.41 O ATOM 1176 OD2 ASP A 78 -8.079 -11.264 2.965 1.00 3.34 O ATOM 0 H ASP A 78 -9.967 -8.494 5.046 1.00 1.36 H new ATOM 0 HA ASP A 78 -10.217 -11.205 5.446 1.00 1.66 H new ATOM 0 HB2 ASP A 78 -8.247 -9.392 4.560 1.00 1.71 H new ATOM 0 HB3 ASP A 78 -7.484 -10.263 5.876 1.00 1.71 H new ATOM 1181 N THR A 79 -8.639 -9.667 7.941 1.00 1.70 N ATOM 1182 CA THR A 79 -8.297 -9.753 9.350 1.00 1.88 C ATOM 1183 C THR A 79 -9.565 -9.818 10.204 1.00 1.99 C ATOM 1184 O THR A 79 -9.651 -10.618 11.134 1.00 2.37 O ATOM 1185 CB THR A 79 -7.395 -8.564 9.691 1.00 1.70 C ATOM 1186 OG1 THR A 79 -6.709 -8.976 10.871 1.00 2.36 O ATOM 1187 CG2 THR A 79 -8.190 -7.334 10.133 1.00 1.51 C ATOM 0 H THR A 79 -8.297 -8.830 7.469 1.00 1.70 H new ATOM 0 HA THR A 79 -7.749 -10.669 9.569 1.00 1.88 H new ATOM 0 HB THR A 79 -6.786 -8.310 8.824 1.00 1.70 H new ATOM 0 HG1 THR A 79 -6.101 -8.264 11.161 1.00 2.36 H new ATOM 0 HG21 THR A 79 -7.503 -6.520 10.363 1.00 1.51 H new ATOM 0 HG22 THR A 79 -8.861 -7.027 9.331 1.00 1.51 H new ATOM 0 HG23 THR A 79 -8.774 -7.578 11.021 1.00 1.51 H new TER 1195 THR A 79 HETATM 1196 CA CA A 80 7.159 5.848 -6.324 1.00 0.82 CA HETATM 1197 CA CA A 81 -0.144 -2.461 -9.985 1.00 0.55 CA