USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot 126:sc= 0.762 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.678 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.253 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 158:sc= 0.143 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 1 MET CE :methyl -156:sc= -0.111 (180deg=-0.293) USER MOD Single : A 1 MET N :NH3+ -159:sc= 1.95 (180deg=1.52) USER MOD Single : A 2 GLN : amide:sc= -0.712 K(o=-0.71,f=-1.3!) USER MOD Single : A 11 LYS NZ :NH3+ 154:sc= 0.901 (180deg=-0.407!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0323 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 27 LYS NZ :NH3+ 151:sc= 1.36 (180deg=1.22) USER MOD Single : A 29 LYS NZ :NH3+ -131:sc= 1.23 (180deg=-0.63) USER MOD Single : A 31 GLN : amide:sc=-0.00269 X(o=-0.0027,f=-0.34) USER MOD Single : A 33 LYS NZ :NH3+ -169:sc= -0.0236 (180deg=-0.148) USER MOD Single : A 40 GLN : amide:sc= -0.0215 X(o=-0.022,f=-0.032) USER MOD Single : A 41 GLN : amide:sc= 1.61 K(o=1.6,f=-2.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 120:sc= 0.59 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 106:sc= 1.19 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.516 K(o=0.52,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.573 -6.817 -4.722 1.00 9.67 N ATOM 2 CA MET A 1 11.498 -7.189 -3.268 1.00 10.38 C ATOM 3 C MET A 1 10.088 -7.682 -2.921 1.00 9.62 C ATOM 4 O MET A 1 9.170 -7.443 -3.714 1.00 9.62 O ATOM 5 CB MET A 1 11.899 -6.011 -2.413 1.00 13.77 C ATOM 6 CG MET A 1 10.927 -4.828 -2.227 1.00 16.29 C ATOM 7 SD MET A 1 11.597 -3.431 -1.267 1.00 17.17 S ATOM 8 CE MET A 1 10.123 -2.466 -1.588 1.00 16.11 C ATOM 0 H1 MET A 1 12.565 -6.830 -5.033 1.00 9.67 H new ATOM 0 H2 MET A 1 11.026 -7.500 -5.284 1.00 9.67 H new ATOM 0 H3 MET A 1 11.180 -5.864 -4.857 1.00 9.67 H new ATOM 0 HA MET A 1 12.194 -8.003 -3.066 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.135 -6.396 -1.421 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.824 -5.609 -2.828 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.627 -4.464 -3.210 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.026 -5.191 -1.733 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.357 -1.405 -1.503 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.761 -2.678 -2.594 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.352 -2.727 -0.863 1.00 16.11 H new ATOM 20 N GLN A 2 9.867 -8.182 -1.713 1.00 9.27 N ATOM 21 CA GLN A 2 8.541 -8.623 -1.276 1.00 9.07 C ATOM 22 C GLN A 2 8.127 -7.782 -0.105 1.00 8.72 C ATOM 23 O GLN A 2 8.980 -7.545 0.781 1.00 8.22 O ATOM 24 CB GLN A 2 8.613 -10.161 -0.948 1.00 14.46 C ATOM 25 CG GLN A 2 7.282 -10.859 -0.646 1.00 17.01 C ATOM 26 CD GLN A 2 7.486 -12.341 -0.343 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.012 -13.011 0.557 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.257 -12.975 -1.296 1.00 19.49 N ATOM 0 H GLN A 2 10.595 -8.295 -1.008 1.00 9.27 H new ATOM 0 HA GLN A 2 7.784 -8.494 -2.050 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.080 -10.668 -1.792 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.272 -10.296 -0.090 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.801 -10.375 0.204 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.611 -10.749 -1.498 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.666 -12.438 -2.061 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.418 -13.980 -1.236 1.00 19.49 H new ATOM 37 N ILE A 3 6.820 -7.411 -0.035 1.00 5.87 N ATOM 38 CA ILE A 3 6.361 -6.771 1.155 1.00 5.07 C ATOM 39 C ILE A 3 5.060 -7.491 1.523 1.00 4.01 C ATOM 40 O ILE A 3 4.377 -8.154 0.714 1.00 4.61 O ATOM 41 CB ILE A 3 6.154 -5.265 0.977 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.345 -4.913 -0.319 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.492 -4.494 1.015 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.758 -3.452 -0.315 1.00 10.83 C ATOM 0 H ILE A 3 6.122 -7.549 -0.766 1.00 5.87 H new ATOM 0 HA ILE A 3 7.103 -6.844 1.950 1.00 5.07 H new ATOM 0 HB ILE A 3 5.552 -4.942 1.827 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.994 -5.033 -1.187 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.527 -5.625 -0.432 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.302 -3.429 0.885 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.981 -4.661 1.975 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.139 -4.848 0.212 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.211 -3.277 -1.241 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.083 -3.333 0.533 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.573 -2.733 -0.234 1.00 10.83 H new ATOM 56 N PHE A 4 4.604 -7.250 2.714 1.00 4.55 N ATOM 57 CA PHE A 4 3.313 -7.696 3.236 1.00 4.68 C ATOM 58 C PHE A 4 2.425 -6.465 3.490 1.00 5.30 C ATOM 59 O PHE A 4 2.812 -5.420 4.069 1.00 5.58 O ATOM 60 CB PHE A 4 3.374 -8.505 4.567 1.00 4.83 C ATOM 61 CG PHE A 4 4.515 -9.481 4.409 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.493 -10.485 3.439 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.607 -9.449 5.295 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.598 -11.353 3.257 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.696 -10.353 5.129 1.00 10.61 C ATOM 66 CZ PHE A 4 6.680 -11.292 4.120 1.00 8.90 C ATOM 0 H PHE A 4 5.137 -6.711 3.397 1.00 4.55 H new ATOM 0 HA PHE A 4 2.917 -8.369 2.476 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.541 -7.844 5.418 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.435 -9.028 4.749 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.618 -10.602 2.816 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.620 -8.735 6.106 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.597 -12.064 2.444 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.541 -10.302 5.799 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.507 -11.977 4.003 1.00 8.90 H new ATOM 76 N VAL A 5 1.166 -6.591 3.070 1.00 4.44 N ATOM 77 CA VAL A 5 0.150 -5.560 3.308 1.00 3.87 C ATOM 78 C VAL A 5 -0.905 -6.224 4.148 1.00 4.93 C ATOM 79 O VAL A 5 -1.386 -7.283 3.832 1.00 6.84 O ATOM 80 CB VAL A 5 -0.471 -5.056 1.983 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.616 -4.072 2.245 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.731 -4.404 1.223 1.00 9.13 C ATOM 0 H VAL A 5 0.821 -7.404 2.559 1.00 4.44 H new ATOM 0 HA VAL A 5 0.587 -4.689 3.797 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.929 -5.852 1.396 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.032 -3.736 1.295 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.394 -4.566 2.827 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.238 -3.213 2.800 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.387 -4.015 0.265 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.140 -3.589 1.820 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.504 -5.153 1.054 1.00 9.13 H new ATOM 92 N LYS A 6 -1.252 -5.662 5.294 1.00 6.04 N ATOM 93 CA LYS A 6 -2.081 -6.256 6.290 1.00 6.12 C ATOM 94 C LYS A 6 -3.437 -5.433 6.492 1.00 6.57 C ATOM 95 O LYS A 6 -3.476 -4.222 6.677 1.00 5.76 O ATOM 96 CB LYS A 6 -1.281 -6.266 7.626 1.00 7.45 C ATOM 97 CG LYS A 6 -1.942 -7.126 8.718 1.00 11.12 C ATOM 98 CD LYS A 6 -1.766 -8.651 8.483 1.00 14.54 C ATOM 99 CE LYS A 6 -0.519 -9.215 9.261 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.451 -10.643 9.079 1.00 20.55 N ATOM 0 H LYS A 6 -0.937 -4.727 5.554 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.351 -7.265 5.978 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.274 -6.639 7.437 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.179 -5.243 7.989 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.517 -6.862 9.686 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.006 -6.892 8.762 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.665 -9.176 8.806 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.649 -8.845 7.417 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.395 -8.746 8.896 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.598 -8.975 10.321 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.521 -10.969 9.252 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.097 -11.109 9.747 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.728 -10.882 8.106 1.00 20.55 H new ATOM 114 N THR A 7 -4.556 -6.213 6.447 1.00 7.41 N ATOM 115 CA THR A 7 -5.887 -5.673 6.571 1.00 7.48 C ATOM 116 C THR A 7 -6.416 -5.584 7.984 1.00 8.75 C ATOM 117 O THR A 7 -5.800 -6.095 8.868 1.00 8.58 O ATOM 118 CB THR A 7 -6.944 -6.270 5.628 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.276 -7.589 5.996 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.280 -6.337 4.278 1.00 9.17 C ATOM 0 H THR A 7 -4.530 -7.225 6.323 1.00 7.41 H new ATOM 0 HA THR A 7 -5.721 -4.651 6.229 1.00 7.48 H new ATOM 0 HB THR A 7 -7.852 -5.668 5.650 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.951 -7.941 5.379 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.976 -6.754 3.550 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.987 -5.334 3.966 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.395 -6.971 4.339 1.00 9.17 H new ATOM 128 N LEU A 8 -7.541 -4.877 8.222 1.00 9.84 N ATOM 129 CA LEU A 8 -8.101 -4.675 9.551 1.00 14.15 C ATOM 130 C LEU A 8 -8.320 -6.073 10.235 1.00 17.37 C ATOM 131 O LEU A 8 -7.953 -6.254 11.392 1.00 17.01 O ATOM 132 CB LEU A 8 -9.428 -3.927 9.437 1.00 16.63 C ATOM 133 CG LEU A 8 -10.073 -3.683 10.799 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.206 -2.878 11.776 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.395 -2.982 10.515 1.00 18.59 C ATOM 0 H LEU A 8 -8.082 -4.431 7.481 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.416 -4.083 10.158 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.263 -2.972 8.939 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.112 -4.499 8.810 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.211 -4.636 11.309 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.741 -2.751 12.717 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.272 -3.410 11.958 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.988 -1.899 11.348 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.908 -2.779 11.455 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.205 -2.043 9.995 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.020 -3.622 9.892 1.00 18.59 H new ATOM 147 N THR A 9 -8.864 -7.039 9.480 1.00 18.33 N ATOM 148 CA THR A 9 -9.337 -8.286 9.978 1.00 19.24 C ATOM 149 C THR A 9 -8.295 -9.362 9.845 1.00 19.48 C ATOM 150 O THR A 9 -8.532 -10.512 10.110 1.00 23.14 O ATOM 151 CB THR A 9 -10.627 -8.651 9.230 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.491 -8.701 7.820 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.737 -7.585 9.447 1.00 19.70 C ATOM 0 H THR A 9 -8.979 -6.944 8.471 1.00 18.33 H new ATOM 0 HA THR A 9 -9.550 -8.197 11.043 1.00 19.24 H new ATOM 0 HB THR A 9 -10.872 -9.632 9.636 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.351 -8.941 7.417 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.634 -7.878 8.902 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.966 -7.510 10.510 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.390 -6.619 9.081 1.00 19.70 H new ATOM 161 N GLY A 10 -7.044 -9.014 9.360 1.00 19.43 N ATOM 162 CA GLY A 10 -5.968 -9.983 9.327 1.00 18.74 C ATOM 163 C GLY A 10 -5.863 -10.809 8.076 1.00 17.62 C ATOM 164 O GLY A 10 -5.538 -11.989 8.079 1.00 19.74 O ATOM 0 H GLY A 10 -6.799 -8.089 9.006 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.025 -9.455 9.470 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.087 -10.657 10.175 1.00 18.74 H new ATOM 168 N LYS A 11 -6.296 -10.243 6.964 1.00 13.56 N ATOM 169 CA LYS A 11 -5.891 -10.708 5.667 1.00 11.91 C ATOM 170 C LYS A 11 -4.432 -10.174 5.300 1.00 10.18 C ATOM 171 O LYS A 11 -4.104 -9.028 5.520 1.00 9.10 O ATOM 172 CB LYS A 11 -6.948 -10.391 4.592 1.00 13.43 C ATOM 173 CG LYS A 11 -7.032 -11.346 3.453 1.00 16.69 C ATOM 174 CD LYS A 11 -6.160 -10.853 2.289 1.00 17.92 C ATOM 175 CE LYS A 11 -5.979 -11.912 1.133 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.259 -12.075 0.354 1.00 21.93 N ATOM 0 H LYS A 11 -6.937 -9.450 6.944 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.823 -11.795 5.698 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.925 -10.346 5.074 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.743 -9.398 4.192 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.702 -12.335 3.772 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -8.067 -11.445 3.126 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.604 -9.948 1.873 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -5.178 -10.579 2.674 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.179 -11.595 0.465 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.680 -12.871 1.555 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.040 -12.396 -0.611 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.864 -12.779 0.824 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.758 -11.163 0.311 1.00 21.93 H new ATOM 190 N THR A 12 -3.550 -11.054 4.814 1.00 9.63 N ATOM 191 CA THR A 12 -2.220 -10.738 4.359 1.00 9.85 C ATOM 192 C THR A 12 -2.273 -10.691 2.890 1.00 11.66 C ATOM 193 O THR A 12 -2.508 -11.737 2.316 1.00 12.33 O ATOM 194 CB THR A 12 -1.195 -11.818 4.830 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.183 -11.946 6.245 1.00 10.91 O ATOM 196 CG2 THR A 12 0.223 -11.337 4.393 1.00 9.63 C ATOM 0 H THR A 12 -3.768 -12.047 4.729 1.00 9.63 H new ATOM 0 HA THR A 12 -1.892 -9.785 4.773 1.00 9.85 H new ATOM 0 HB THR A 12 -1.471 -12.778 4.393 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.532 -12.631 6.506 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.968 -12.069 4.706 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.253 -11.230 3.309 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.441 -10.376 4.859 1.00 9.63 H new ATOM 204 N ILE A 13 -2.057 -9.513 2.301 1.00 10.42 N ATOM 205 CA ILE A 13 -1.837 -9.426 0.906 1.00 11.84 C ATOM 206 C ILE A 13 -0.314 -9.573 0.711 1.00 10.55 C ATOM 207 O ILE A 13 0.432 -8.973 1.443 1.00 11.92 O ATOM 208 CB ILE A 13 -2.293 -8.160 0.188 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.483 -7.499 0.886 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.599 -8.514 -1.283 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.108 -6.274 0.217 1.00 16.46 C ATOM 0 H ILE A 13 -2.035 -8.620 2.793 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.453 -10.205 0.456 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.494 -7.420 0.219 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.263 -8.251 1.004 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.166 -7.209 1.888 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.927 -7.619 -1.812 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.700 -8.907 -1.757 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.387 -9.266 -1.320 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.939 -5.913 0.823 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.358 -5.488 0.124 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.473 -6.547 -0.773 1.00 16.46 H new ATOM 223 N THR A 14 0.167 -10.418 -0.265 1.00 9.39 N ATOM 224 CA THR A 14 1.646 -10.554 -0.494 1.00 9.63 C ATOM 225 C THR A 14 2.126 -10.059 -1.879 1.00 11.20 C ATOM 226 O THR A 14 1.663 -10.542 -2.914 1.00 11.63 O ATOM 227 CB THR A 14 2.148 -12.003 -0.256 1.00 10.38 C ATOM 228 OG1 THR A 14 1.838 -12.423 1.079 1.00 16.30 O ATOM 229 CG2 THR A 14 3.581 -12.274 -0.538 1.00 11.66 C ATOM 0 H THR A 14 -0.418 -10.988 -0.876 1.00 9.39 H new ATOM 0 HA THR A 14 2.089 -9.893 0.251 1.00 9.63 H new ATOM 0 HB THR A 14 1.608 -12.585 -1.003 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.158 -13.339 1.216 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.801 -13.321 -0.331 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.793 -12.059 -1.585 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.202 -11.641 0.095 1.00 11.66 H new ATOM 237 N LEU A 15 2.996 -9.023 -1.867 1.00 8.29 N ATOM 238 CA LEU A 15 3.275 -8.252 -3.042 1.00 9.03 C ATOM 239 C LEU A 15 4.724 -8.272 -3.368 1.00 8.59 C ATOM 240 O LEU A 15 5.500 -8.231 -2.380 1.00 7.79 O ATOM 241 CB LEU A 15 2.846 -6.723 -2.811 1.00 11.08 C ATOM 242 CG LEU A 15 1.401 -6.543 -2.289 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.060 -5.082 -2.093 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.340 -7.200 -3.204 1.00 15.27 C ATOM 0 H LEU A 15 3.507 -8.721 -1.037 1.00 8.29 H new ATOM 0 HA LEU A 15 2.709 -8.694 -3.862 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.536 -6.267 -2.102 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.951 -6.182 -3.751 1.00 11.08 H new ATOM 0 HG LEU A 15 1.373 -7.054 -1.327 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.038 -4.993 -1.726 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.745 -4.642 -1.368 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.151 -4.556 -3.044 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.653 -7.039 -2.784 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.390 -6.754 -4.197 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.534 -8.270 -3.276 1.00 15.27 H new ATOM 256 N GLU A 16 5.006 -8.402 -4.679 1.00 11.04 N ATOM 257 CA GLU A 16 6.357 -8.230 -5.214 1.00 11.50 C ATOM 258 C GLU A 16 6.458 -6.917 -6.027 1.00 10.13 C ATOM 259 O GLU A 16 5.662 -6.602 -6.944 1.00 9.83 O ATOM 260 CB GLU A 16 6.737 -9.499 -6.050 1.00 17.22 C ATOM 261 CG GLU A 16 7.900 -9.375 -7.025 1.00 23.33 C ATOM 262 CD GLU A 16 9.336 -9.287 -6.385 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.800 -10.238 -5.724 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.036 -8.288 -6.703 1.00 28.90 O ATOM 0 H GLU A 16 4.306 -8.627 -5.386 1.00 11.04 H new ATOM 0 HA GLU A 16 7.078 -8.137 -4.402 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.967 -10.305 -5.353 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.856 -9.807 -6.614 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.876 -10.232 -7.698 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.742 -8.486 -7.636 1.00 23.33 H new ATOM 271 N VAL A 17 7.535 -6.159 -5.735 1.00 8.99 N ATOM 272 CA VAL A 17 7.546 -4.772 -5.964 1.00 8.85 C ATOM 273 C VAL A 17 9.015 -4.387 -6.131 1.00 8.04 C ATOM 274 O VAL A 17 9.909 -5.047 -5.691 1.00 8.99 O ATOM 275 CB VAL A 17 6.984 -3.898 -4.829 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.468 -3.821 -5.018 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.385 -4.393 -3.423 1.00 10.54 C ATOM 0 H VAL A 17 8.399 -6.527 -5.337 1.00 8.99 H new ATOM 0 HA VAL A 17 6.905 -4.590 -6.826 1.00 8.85 H new ATOM 0 HB VAL A 17 7.420 -2.901 -4.888 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.034 -3.207 -4.229 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.244 -3.377 -5.988 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.044 -4.824 -4.972 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.956 -3.733 -2.669 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.011 -5.406 -3.273 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.471 -4.390 -3.332 1.00 10.54 H new ATOM 287 N GLU A 18 9.363 -3.290 -6.788 1.00 7.29 N ATOM 288 CA GLU A 18 10.726 -2.727 -6.882 1.00 7.08 C ATOM 289 C GLU A 18 10.720 -1.427 -6.099 1.00 6.45 C ATOM 290 O GLU A 18 9.685 -0.773 -6.061 1.00 5.28 O ATOM 291 CB GLU A 18 11.063 -2.417 -8.333 1.00 10.28 C ATOM 292 CG GLU A 18 11.216 -3.628 -9.228 1.00 12.65 C ATOM 293 CD GLU A 18 12.179 -4.741 -8.755 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.175 -4.521 -8.019 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.903 -5.898 -9.149 1.00 18.17 O ATOM 0 H GLU A 18 8.678 -2.732 -7.299 1.00 7.29 H new ATOM 0 HA GLU A 18 11.459 -3.434 -6.493 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.281 -1.778 -8.743 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.990 -1.844 -8.360 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.230 -4.071 -9.367 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.552 -3.284 -10.206 1.00 12.65 H new ATOM 302 N PRO A 19 11.834 -1.061 -5.424 1.00 7.24 N ATOM 303 CA PRO A 19 11.881 0.071 -4.508 1.00 7.07 C ATOM 304 C PRO A 19 11.466 1.413 -5.127 1.00 6.65 C ATOM 305 O PRO A 19 11.046 2.335 -4.463 1.00 6.37 O ATOM 306 CB PRO A 19 13.377 0.142 -4.085 1.00 7.61 C ATOM 307 CG PRO A 19 13.939 -1.262 -4.348 1.00 8.16 C ATOM 308 CD PRO A 19 13.130 -1.732 -5.576 1.00 7.49 C ATOM 0 HA PRO A 19 11.174 -0.082 -3.692 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.914 0.895 -4.662 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.476 0.415 -3.034 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.009 -1.237 -4.554 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.795 -1.922 -3.492 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.619 -1.450 -6.508 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.019 -2.816 -5.590 1.00 7.49 H new ATOM 316 N SER A 20 11.623 1.496 -6.455 1.00 6.80 N ATOM 317 CA SER A 20 11.311 2.594 -7.345 1.00 6.28 C ATOM 318 C SER A 20 9.908 2.503 -7.904 1.00 8.45 C ATOM 319 O SER A 20 9.604 3.318 -8.802 1.00 7.26 O ATOM 320 CB SER A 20 12.326 2.491 -8.523 1.00 8.57 C ATOM 321 OG SER A 20 12.339 1.205 -9.185 1.00 11.13 O ATOM 0 H SER A 20 12.012 0.709 -6.973 1.00 6.80 H new ATOM 0 HA SER A 20 11.375 3.536 -6.801 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.093 3.262 -9.257 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.326 2.703 -8.145 1.00 8.57 H new ATOM 0 HG SER A 20 12.997 1.218 -9.911 1.00 11.13 H new ATOM 327 N ASP A 21 8.973 1.605 -7.486 1.00 7.50 N ATOM 328 CA ASP A 21 7.573 1.613 -7.881 1.00 7.70 C ATOM 329 C ASP A 21 6.855 2.642 -7.076 1.00 7.08 C ATOM 330 O ASP A 21 7.133 2.836 -5.917 1.00 8.11 O ATOM 331 CB ASP A 21 6.909 0.243 -7.741 1.00 11.00 C ATOM 332 CG ASP A 21 7.428 -0.752 -8.671 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.560 -0.450 -9.881 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.533 -1.940 -8.314 1.00 14.36 O ATOM 0 H ASP A 21 9.199 0.842 -6.848 1.00 7.50 H new ATOM 0 HA ASP A 21 7.518 1.861 -8.941 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.048 -0.117 -6.721 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.836 0.350 -7.898 1.00 11.00 H new ATOM 339 N THR A 22 5.866 3.341 -7.664 1.00 5.37 N ATOM 340 CA THR A 22 5.068 4.366 -6.951 1.00 6.01 C ATOM 341 C THR A 22 4.033 3.708 -6.112 1.00 8.01 C ATOM 342 O THR A 22 3.624 2.568 -6.366 1.00 8.11 O ATOM 343 CB THR A 22 4.331 5.467 -7.855 1.00 8.92 C ATOM 344 OG1 THR A 22 3.519 4.928 -8.879 1.00 10.22 O ATOM 345 CG2 THR A 22 5.305 6.368 -8.577 1.00 9.65 C ATOM 0 H THR A 22 5.596 3.215 -8.640 1.00 5.37 H new ATOM 0 HA THR A 22 5.815 4.908 -6.370 1.00 6.01 H new ATOM 0 HB THR A 22 3.726 6.005 -7.126 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.103 5.657 -9.385 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.754 7.095 -9.174 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.925 6.892 -7.849 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.940 5.769 -9.229 1.00 9.65 H new ATOM 353 N ILE A 23 3.529 4.483 -5.056 1.00 8.32 N ATOM 354 CA ILE A 23 2.414 4.018 -4.249 1.00 9.92 C ATOM 355 C ILE A 23 1.092 3.767 -5.001 1.00 10.01 C ATOM 356 O ILE A 23 0.437 2.785 -4.748 1.00 8.71 O ATOM 357 CB ILE A 23 2.213 4.962 -3.070 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.451 5.323 -2.169 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.134 4.361 -2.104 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.384 4.183 -1.765 1.00 12.30 C ATOM 0 H ILE A 23 3.896 5.396 -4.789 1.00 8.32 H new ATOM 0 HA ILE A 23 2.698 3.024 -3.904 1.00 9.92 H new ATOM 0 HB ILE A 23 1.936 5.891 -3.568 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.043 6.072 -2.695 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.079 5.792 -1.258 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.987 5.034 -1.259 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.192 4.241 -2.640 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.471 3.390 -1.741 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.191 4.575 -1.147 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.824 3.437 -1.200 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.803 3.722 -2.659 1.00 12.30 H new ATOM 372 N GLU A 24 0.781 4.569 -6.054 1.00 9.54 N ATOM 373 CA GLU A 24 -0.314 4.263 -6.973 1.00 11.81 C ATOM 374 C GLU A 24 -0.169 2.902 -7.686 1.00 11.14 C ATOM 375 O GLU A 24 -1.115 2.112 -7.784 1.00 10.62 O ATOM 376 CB GLU A 24 -0.316 5.408 -8.028 1.00 19.24 C ATOM 377 CG GLU A 24 -1.487 5.282 -9.053 1.00 27.76 C ATOM 378 CD GLU A 24 -1.692 6.637 -9.803 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.820 7.065 -10.614 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.751 7.311 -9.646 1.00 36.51 O ATOM 0 H GLU A 24 1.282 5.429 -6.275 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.244 4.194 -6.408 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.388 6.368 -7.516 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.633 5.404 -8.564 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.270 4.490 -9.770 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.405 5.001 -8.536 1.00 27.76 H new ATOM 387 N ASN A 25 0.972 2.582 -8.239 1.00 9.43 N ATOM 388 CA ASN A 25 1.345 1.290 -8.819 1.00 10.96 C ATOM 389 C ASN A 25 1.228 0.158 -7.824 1.00 9.68 C ATOM 390 O ASN A 25 0.860 -0.940 -8.225 1.00 9.33 O ATOM 391 CB ASN A 25 2.776 1.287 -9.345 1.00 16.78 C ATOM 392 CG ASN A 25 3.219 0.073 -10.094 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.121 -0.666 -9.637 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.615 -0.134 -11.294 1.00 24.70 N ATOM 0 H ASN A 25 1.731 3.260 -8.308 1.00 9.43 H new ATOM 0 HA ASN A 25 0.644 1.138 -9.639 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.899 2.152 -9.997 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.449 1.428 -8.499 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.891 -0.926 -11.874 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.885 0.503 -11.614 1.00 24.70 H new ATOM 401 N VAL A 26 1.612 0.318 -6.548 1.00 6.52 N ATOM 402 CA VAL A 26 1.492 -0.684 -5.474 1.00 5.53 C ATOM 403 C VAL A 26 -0.040 -0.881 -5.146 1.00 4.42 C ATOM 404 O VAL A 26 -0.431 -2.050 -5.052 1.00 3.40 O ATOM 405 CB VAL A 26 2.070 -0.223 -4.142 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.089 -1.388 -3.170 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.532 0.162 -4.425 1.00 8.12 C ATOM 0 H VAL A 26 2.033 1.187 -6.221 1.00 6.52 H new ATOM 0 HA VAL A 26 2.017 -1.567 -5.838 1.00 5.53 H new ATOM 0 HB VAL A 26 1.486 0.597 -3.724 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.502 -1.060 -2.216 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.073 -1.752 -3.019 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.705 -2.190 -3.576 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.003 0.503 -3.503 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.069 -0.706 -4.808 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.561 0.962 -5.165 1.00 8.12 H new ATOM 417 N LYS A 27 -0.875 0.195 -4.987 1.00 2.64 N ATOM 418 CA LYS A 27 -2.308 0.016 -4.927 1.00 4.14 C ATOM 419 C LYS A 27 -2.907 -0.646 -6.076 1.00 5.58 C ATOM 420 O LYS A 27 -3.843 -1.407 -5.835 1.00 4.11 O ATOM 421 CB LYS A 27 -2.984 1.378 -4.818 1.00 3.97 C ATOM 422 CG LYS A 27 -2.693 2.169 -3.474 1.00 7.45 C ATOM 423 CD LYS A 27 -3.511 3.482 -3.536 1.00 9.02 C ATOM 424 CE LYS A 27 -3.322 4.291 -2.247 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.222 5.442 -2.273 1.00 15.47 N ATOM 0 H LYS A 27 -0.560 1.162 -4.903 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.464 -0.626 -4.060 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.665 1.993 -5.659 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.061 1.240 -4.914 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.982 1.575 -2.607 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.629 2.382 -3.374 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.195 4.075 -4.394 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.567 3.254 -3.678 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.532 3.668 -1.377 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.288 4.623 -2.159 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.480 5.703 -1.300 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.746 6.245 -2.732 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.081 5.199 -2.806 1.00 15.47 H new ATOM 439 N ALA A 28 -2.473 -0.429 -7.326 1.00 6.61 N ATOM 440 CA ALA A 28 -3.074 -1.039 -8.501 1.00 7.74 C ATOM 441 C ALA A 28 -2.842 -2.548 -8.475 1.00 9.17 C ATOM 442 O ALA A 28 -3.697 -3.311 -8.934 1.00 11.45 O ATOM 443 CB ALA A 28 -2.424 -0.429 -9.699 1.00 7.68 C ATOM 0 H ALA A 28 -1.686 0.183 -7.542 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.150 -0.867 -8.526 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.850 -0.862 -10.604 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.595 0.648 -9.697 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.352 -0.626 -9.671 1.00 7.68 H new ATOM 449 N LYS A 29 -1.675 -2.900 -7.983 1.00 8.96 N ATOM 450 CA LYS A 29 -1.262 -4.283 -7.739 1.00 7.90 C ATOM 451 C LYS A 29 -2.025 -4.983 -6.580 1.00 6.92 C ATOM 452 O LYS A 29 -2.276 -6.196 -6.601 1.00 6.87 O ATOM 453 CB LYS A 29 0.282 -4.323 -7.438 1.00 10.28 C ATOM 454 CG LYS A 29 0.912 -5.679 -7.120 1.00 14.94 C ATOM 455 CD LYS A 29 2.402 -5.751 -7.398 1.00 19.69 C ATOM 456 CE LYS A 29 2.854 -5.248 -8.794 1.00 22.63 C ATOM 457 NZ LYS A 29 4.266 -5.509 -8.947 1.00 24.98 N ATOM 0 H LYS A 29 -0.959 -2.219 -7.731 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.507 -4.835 -8.646 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.802 -3.906 -8.300 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.476 -3.658 -6.597 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.738 -5.911 -6.069 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.407 -6.448 -7.704 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.923 -5.170 -6.637 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.724 -6.786 -7.284 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.290 -5.753 -9.578 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.654 -4.181 -8.894 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.744 -4.648 -9.283 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.668 -5.793 -8.031 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.405 -6.274 -9.638 1.00 24.98 H new ATOM 471 N ILE A 30 -2.523 -4.166 -5.605 1.00 4.57 N ATOM 472 CA ILE A 30 -3.513 -4.551 -4.580 1.00 5.58 C ATOM 473 C ILE A 30 -4.887 -4.779 -5.293 1.00 7.26 C ATOM 474 O ILE A 30 -5.635 -5.702 -4.964 1.00 9.46 O ATOM 475 CB ILE A 30 -3.631 -3.641 -3.337 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.358 -3.691 -2.418 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.035 -3.868 -2.516 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.223 -2.655 -1.331 1.00 2.00 C ATOM 0 H ILE A 30 -2.230 -3.193 -5.517 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.142 -5.471 -4.128 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.674 -2.619 -3.714 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.326 -4.674 -1.947 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.481 -3.616 -3.060 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.063 -3.203 -1.653 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.879 -3.649 -3.171 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.096 -4.903 -2.179 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.295 -2.821 -0.784 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.209 -1.660 -1.776 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.067 -2.734 -0.646 1.00 2.00 H new ATOM 490 N GLN A 31 -5.250 -3.919 -6.264 1.00 7.06 N ATOM 491 CA GLN A 31 -6.463 -4.051 -7.105 1.00 8.67 C ATOM 492 C GLN A 31 -6.480 -5.316 -7.953 1.00 10.90 C ATOM 493 O GLN A 31 -7.365 -6.141 -7.994 1.00 9.63 O ATOM 494 CB GLN A 31 -6.709 -2.719 -7.950 1.00 9.12 C ATOM 495 CG GLN A 31 -8.103 -2.543 -8.603 1.00 10.76 C ATOM 496 CD GLN A 31 -8.303 -1.358 -9.567 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.336 -0.870 -10.171 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.521 -0.892 -9.747 1.00 14.76 N ATOM 0 H GLN A 31 -4.697 -3.093 -6.493 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.311 -4.172 -6.431 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.532 -1.866 -7.295 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.958 -2.676 -8.739 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.336 -3.459 -9.146 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.838 -2.451 -7.803 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.305 -1.305 -9.242 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.681 -0.118 -10.391 1.00 14.76 H new ATOM 507 N ASP A 32 -5.357 -5.525 -8.619 1.00 10.93 N ATOM 508 CA ASP A 32 -5.086 -6.645 -9.521 1.00 14.01 C ATOM 509 C ASP A 32 -5.250 -7.953 -8.761 1.00 14.04 C ATOM 510 O ASP A 32 -5.829 -8.933 -9.302 1.00 13.39 O ATOM 511 CB ASP A 32 -3.673 -6.512 -10.111 1.00 18.01 C ATOM 512 CG ASP A 32 -3.348 -7.545 -11.175 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.107 -7.560 -12.160 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.415 -8.368 -11.045 1.00 26.29 O ATOM 0 H ASP A 32 -4.564 -4.887 -8.545 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.795 -6.636 -10.349 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.562 -5.516 -10.540 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.944 -6.595 -9.304 1.00 18.01 H new ATOM 519 N LYS A 33 -4.838 -7.931 -7.508 1.00 14.22 N ATOM 520 CA LYS A 33 -5.066 -9.000 -6.472 1.00 14.00 C ATOM 521 C LYS A 33 -6.447 -9.124 -5.836 1.00 12.37 C ATOM 522 O LYS A 33 -7.176 -10.114 -6.107 1.00 12.17 O ATOM 523 CB LYS A 33 -3.972 -8.936 -5.415 1.00 18.62 C ATOM 524 CG LYS A 33 -2.602 -9.437 -5.925 1.00 24.00 C ATOM 525 CD LYS A 33 -1.931 -10.244 -4.872 1.00 27.61 C ATOM 526 CE LYS A 33 -0.582 -10.865 -5.358 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.785 -11.807 -6.475 1.00 30.06 N ATOM 0 H LYS A 33 -4.307 -7.143 -7.136 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.017 -9.921 -7.053 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.870 -7.907 -5.069 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.272 -9.533 -4.554 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.737 -10.038 -6.824 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.975 -8.589 -6.200 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.744 -9.615 -4.001 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.599 -11.043 -4.551 1.00 27.61 H new ATOM 0 HE2 LYS A 33 0.093 -10.069 -5.672 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.100 -11.383 -4.529 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.094 -12.336 -6.647 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.547 -12.472 -6.234 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.045 -11.278 -7.332 1.00 30.06 H new ATOM 541 N GLU A 34 -6.931 -8.099 -5.142 1.00 10.11 N ATOM 542 CA GLU A 34 -8.067 -8.118 -4.259 1.00 10.07 C ATOM 543 C GLU A 34 -9.335 -7.444 -4.698 1.00 9.32 C ATOM 544 O GLU A 34 -10.395 -7.450 -4.077 1.00 11.61 O ATOM 545 CB GLU A 34 -7.676 -7.532 -2.848 1.00 14.77 C ATOM 546 CG GLU A 34 -6.478 -8.327 -2.129 1.00 18.75 C ATOM 547 CD GLU A 34 -6.988 -9.656 -1.539 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.834 -9.642 -0.632 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.509 -10.705 -2.027 1.00 25.19 O ATOM 0 H GLU A 34 -6.503 -7.175 -5.193 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.313 -9.180 -4.245 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.388 -6.487 -2.965 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.553 -7.551 -2.201 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.682 -8.523 -2.847 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.049 -7.712 -1.338 1.00 18.75 H new ATOM 556 N GLY A 35 -9.237 -6.744 -5.850 1.00 7.22 N ATOM 557 CA GLY A 35 -10.409 -6.055 -6.388 1.00 6.29 C ATOM 558 C GLY A 35 -10.767 -4.742 -5.687 1.00 6.93 C ATOM 559 O GLY A 35 -11.940 -4.408 -5.643 1.00 7.41 O ATOM 0 H GLY A 35 -8.385 -6.648 -6.402 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.238 -5.850 -7.445 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.266 -6.726 -6.328 1.00 6.29 H new ATOM 563 N ILE A 36 -9.738 -4.048 -5.124 1.00 5.86 N ATOM 564 CA ILE A 36 -10.014 -2.866 -4.299 1.00 6.07 C ATOM 565 C ILE A 36 -9.629 -1.662 -5.069 1.00 6.36 C ATOM 566 O ILE A 36 -8.410 -1.512 -5.347 1.00 6.18 O ATOM 567 CB ILE A 36 -9.305 -2.766 -2.975 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.324 -4.106 -2.149 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.791 -1.587 -2.144 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.356 -4.073 -0.945 1.00 9.49 C ATOM 0 H ILE A 36 -8.751 -4.284 -5.227 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.075 -2.952 -4.065 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.260 -2.580 -3.224 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.336 -4.295 -1.792 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.057 -4.936 -2.803 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.248 -1.560 -1.199 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.616 -0.660 -2.690 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.857 -1.696 -1.947 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.408 -5.021 -0.410 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.338 -3.913 -1.301 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.638 -3.262 -0.274 1.00 9.49 H new ATOM 582 N PRO A 37 -10.497 -0.693 -5.477 1.00 8.65 N ATOM 583 CA PRO A 37 -10.092 0.555 -6.104 1.00 9.18 C ATOM 584 C PRO A 37 -8.974 1.384 -5.444 1.00 9.85 C ATOM 585 O PRO A 37 -9.127 1.568 -4.223 1.00 8.51 O ATOM 586 CB PRO A 37 -11.388 1.377 -6.192 1.00 11.42 C ATOM 587 CG PRO A 37 -12.438 0.293 -6.450 1.00 9.27 C ATOM 588 CD PRO A 37 -11.940 -0.822 -5.492 1.00 8.33 C ATOM 0 HA PRO A 37 -9.623 0.301 -7.055 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.586 1.926 -5.271 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.352 2.110 -6.998 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.447 0.627 -6.207 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.452 -0.031 -7.491 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.357 -0.698 -4.493 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.244 -1.808 -5.844 1.00 8.33 H new ATOM 596 N PRO A 38 -7.882 1.902 -6.169 1.00 8.71 N ATOM 597 CA PRO A 38 -6.840 2.713 -5.583 1.00 9.08 C ATOM 598 C PRO A 38 -7.366 3.938 -4.839 1.00 9.28 C ATOM 599 O PRO A 38 -6.854 4.355 -3.809 1.00 6.50 O ATOM 600 CB PRO A 38 -5.853 2.971 -6.725 1.00 10.31 C ATOM 601 CG PRO A 38 -5.926 1.731 -7.607 1.00 10.81 C ATOM 602 CD PRO A 38 -7.373 1.245 -7.414 1.00 12.00 C ATOM 0 HA PRO A 38 -6.322 2.210 -4.767 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.123 3.867 -7.283 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.843 3.124 -6.345 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.716 1.966 -8.650 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.203 0.975 -7.299 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.989 1.512 -8.273 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.408 0.160 -7.321 1.00 12.00 H new ATOM 610 N ASP A 39 -8.414 4.559 -5.282 1.00 11.20 N ATOM 611 CA ASP A 39 -9.075 5.664 -4.620 1.00 14.96 C ATOM 612 C ASP A 39 -9.578 5.364 -3.232 1.00 13.99 C ATOM 613 O ASP A 39 -9.393 6.116 -2.303 1.00 13.75 O ATOM 614 CB ASP A 39 -10.187 6.299 -5.559 1.00 24.16 C ATOM 615 CG ASP A 39 -10.590 7.689 -5.155 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.699 8.574 -5.136 1.00 34.22 O ATOM 617 OD2 ASP A 39 -11.772 7.883 -4.848 1.00 35.55 O ATOM 0 H ASP A 39 -8.863 4.303 -6.161 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.304 6.415 -4.450 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.817 6.320 -6.584 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.068 5.657 -5.551 1.00 24.16 H new ATOM 622 N GLN A 40 -10.159 4.175 -3.139 1.00 11.60 N ATOM 623 CA GLN A 40 -10.750 3.697 -1.901 1.00 10.76 C ATOM 624 C GLN A 40 -9.694 3.365 -0.841 1.00 8.01 C ATOM 625 O GLN A 40 -9.892 3.499 0.383 1.00 8.96 O ATOM 626 CB GLN A 40 -11.728 2.472 -2.123 1.00 11.14 C ATOM 627 CG GLN A 40 -12.393 1.955 -0.900 1.00 14.85 C ATOM 628 CD GLN A 40 -13.354 0.761 -1.130 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.778 0.330 -2.206 1.00 20.52 O ATOM 630 NE2 GLN A 40 -13.862 0.263 0.015 1.00 18.16 N ATOM 0 H GLN A 40 -10.233 3.519 -3.917 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.349 4.526 -1.524 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.497 2.768 -2.836 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.165 1.659 -2.581 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.625 1.652 -0.188 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.953 2.768 -0.438 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.525 0.606 0.914 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.584 -0.457 -0.018 1.00 18.16 H new ATOM 639 N GLN A 41 -8.547 2.817 -1.344 1.00 6.52 N ATOM 640 CA GLN A 41 -7.374 2.389 -0.517 1.00 3.87 C ATOM 641 C GLN A 41 -6.650 3.424 0.244 1.00 4.79 C ATOM 642 O GLN A 41 -6.274 4.496 -0.273 1.00 6.34 O ATOM 643 CB GLN A 41 -6.360 1.673 -1.387 1.00 4.20 C ATOM 644 CG GLN A 41 -6.795 0.323 -2.034 1.00 3.20 C ATOM 645 CD GLN A 41 -5.627 -0.264 -2.824 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.516 -0.355 -2.327 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.918 -0.698 -4.100 1.00 7.13 N ATOM 0 H GLN A 41 -8.409 2.659 -2.342 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.839 1.753 0.236 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.065 2.351 -2.188 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.471 1.487 -0.784 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.113 -0.377 -1.261 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.649 0.482 -2.692 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.864 -0.599 -4.469 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.188 -1.118 -4.675 1.00 7.13 H new ATOM 656 N ARG A 42 -6.262 3.139 1.526 1.00 5.73 N ATOM 657 CA ARG A 42 -5.309 3.908 2.300 1.00 6.97 C ATOM 658 C ARG A 42 -4.219 3.044 2.891 1.00 7.15 C ATOM 659 O ARG A 42 -4.576 2.143 3.648 1.00 7.33 O ATOM 660 CB ARG A 42 -6.083 4.797 3.351 1.00 13.23 C ATOM 661 CG ARG A 42 -6.790 6.053 2.774 1.00 21.27 C ATOM 662 CD ARG A 42 -7.624 6.669 3.877 1.00 26.14 C ATOM 663 NE ARG A 42 -7.964 8.124 3.543 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.913 8.855 4.151 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.651 8.361 5.163 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.995 10.126 3.686 1.00 36.39 N ATOM 0 H ARG A 42 -6.631 2.338 2.039 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.771 4.589 1.641 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.830 4.176 3.845 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.378 5.119 4.118 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.055 6.769 2.407 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.420 5.780 1.927 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.542 6.096 4.010 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.080 6.624 4.821 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.428 8.573 2.801 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.497 7.407 5.488 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.364 8.941 5.605 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.369 10.439 2.944 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.683 10.769 4.078 1.00 36.39 H new ATOM 680 N LEU A 43 -2.955 3.374 2.618 1.00 4.65 N ATOM 681 CA LEU A 43 -1.829 2.595 3.070 1.00 3.51 C ATOM 682 C LEU A 43 -1.099 3.336 4.196 1.00 5.56 C ATOM 683 O LEU A 43 -0.926 4.539 4.149 1.00 4.19 O ATOM 684 CB LEU A 43 -0.859 2.194 1.986 1.00 3.74 C ATOM 685 CG LEU A 43 -1.566 1.365 0.885 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.805 1.373 -0.370 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.963 -0.014 1.357 1.00 6.41 C ATOM 0 H LEU A 43 -2.695 4.196 2.073 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.247 1.658 3.438 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.413 3.085 1.545 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.046 1.611 2.419 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.512 1.859 0.662 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.332 0.781 -1.119 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.700 2.398 -0.725 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.183 0.946 -0.199 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.454 -0.549 0.544 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.074 -0.562 1.668 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.648 0.073 2.200 1.00 6.41 H new ATOM 699 N ILE A 44 -0.663 2.571 5.291 1.00 4.58 N ATOM 700 CA ILE A 44 -0.009 3.131 6.442 1.00 5.55 C ATOM 701 C ILE A 44 1.226 2.383 6.750 1.00 5.46 C ATOM 702 O ILE A 44 1.115 1.131 7.081 1.00 6.04 O ATOM 703 CB ILE A 44 -0.945 3.186 7.713 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.266 4.036 7.485 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.131 3.857 8.885 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.348 3.647 8.549 1.00 13.90 C ATOM 0 H ILE A 44 -0.782 1.559 5.343 1.00 4.58 H new ATOM 0 HA ILE A 44 0.243 4.161 6.188 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.250 2.164 7.939 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.040 5.100 7.557 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.652 3.860 6.481 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.754 3.908 9.778 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.758 3.263 9.097 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.166 4.864 8.592 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.250 4.236 8.383 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.585 2.587 8.456 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.963 3.847 9.549 1.00 13.90 H new ATOM 718 N PHE A 45 2.415 2.963 6.758 1.00 6.75 N ATOM 719 CA PHE A 45 3.638 2.287 7.017 1.00 4.70 C ATOM 720 C PHE A 45 4.421 3.058 8.026 1.00 6.34 C ATOM 721 O PHE A 45 4.512 4.262 7.927 1.00 5.45 O ATOM 722 CB PHE A 45 4.533 2.178 5.838 1.00 5.51 C ATOM 723 CG PHE A 45 5.934 1.730 6.108 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.127 0.447 6.581 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.017 2.522 5.851 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.384 -0.125 6.797 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.328 2.116 6.112 1.00 6.64 C ATOM 728 CZ PHE A 45 8.527 0.764 6.549 1.00 6.84 C ATOM 0 H PHE A 45 2.540 3.959 6.575 1.00 6.75 H new ATOM 0 HA PHE A 45 3.348 1.288 7.343 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.082 1.483 5.130 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.573 3.151 5.348 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.254 -0.151 6.797 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.853 3.502 5.429 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.506 -1.147 7.123 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.160 2.794 5.990 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.531 0.395 6.698 1.00 6.84 H new ATOM 738 N ALA A 46 4.919 2.426 9.131 1.00 6.53 N ATOM 739 CA ALA A 46 5.773 3.015 10.124 1.00 7.15 C ATOM 740 C ALA A 46 5.206 4.330 10.859 1.00 9.00 C ATOM 741 O ALA A 46 5.975 5.251 11.079 1.00 11.15 O ATOM 742 CB ALA A 46 7.178 3.120 9.620 1.00 8.99 C ATOM 0 H ALA A 46 4.706 1.449 9.332 1.00 6.53 H new ATOM 0 HA ALA A 46 5.785 2.317 10.961 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.808 3.569 10.388 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.553 2.125 9.379 1.00 8.99 H new ATOM 0 HB3 ALA A 46 7.198 3.742 8.725 1.00 8.99 H new ATOM 748 N GLY A 47 3.873 4.366 11.110 1.00 9.35 N ATOM 749 CA GLY A 47 3.200 5.542 11.590 1.00 11.68 C ATOM 750 C GLY A 47 2.896 6.633 10.556 1.00 11.14 C ATOM 751 O GLY A 47 2.322 7.657 10.901 1.00 13.93 O ATOM 0 H GLY A 47 3.256 3.565 10.976 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.259 5.233 12.045 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.807 5.983 12.381 1.00 11.68 H new ATOM 755 N LYS A 48 3.185 6.435 9.287 1.00 10.47 N ATOM 756 CA LYS A 48 2.948 7.458 8.268 1.00 8.82 C ATOM 757 C LYS A 48 1.966 6.959 7.223 1.00 7.68 C ATOM 758 O LYS A 48 2.162 5.916 6.603 1.00 6.47 O ATOM 759 CB LYS A 48 4.320 7.788 7.615 1.00 9.74 C ATOM 760 CG LYS A 48 5.471 8.149 8.661 1.00 14.14 C ATOM 761 CD LYS A 48 6.895 8.024 7.986 1.00 16.32 C ATOM 762 CE LYS A 48 8.082 7.902 8.957 1.00 20.04 C ATOM 763 NZ LYS A 48 8.255 9.061 9.900 1.00 23.92 N ATOM 0 H LYS A 48 3.588 5.570 8.926 1.00 10.47 H new ATOM 0 HA LYS A 48 2.513 8.350 8.719 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.641 6.934 7.019 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.192 8.625 6.929 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.327 9.163 9.033 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.410 7.482 9.521 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.892 7.152 7.332 1.00 16.32 H new ATOM 0 HD3 LYS A 48 7.055 8.897 7.353 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.960 6.991 9.543 1.00 20.04 H new ATOM 0 HE3 LYS A 48 8.997 7.787 8.376 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.077 8.890 10.513 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.406 9.933 9.354 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.401 9.163 10.485 1.00 23.92 H new ATOM 777 N GLN A 49 0.870 7.678 6.991 1.00 8.89 N ATOM 778 CA GLN A 49 -0.019 7.465 5.856 1.00 7.18 C ATOM 779 C GLN A 49 0.613 7.856 4.523 1.00 8.23 C ATOM 780 O GLN A 49 1.250 8.870 4.402 1.00 9.70 O ATOM 781 CB GLN A 49 -1.444 8.146 5.975 1.00 11.67 C ATOM 782 CG GLN A 49 -2.457 7.601 5.005 1.00 15.82 C ATOM 783 CD GLN A 49 -3.846 8.283 5.203 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.640 7.847 6.053 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.130 9.374 4.455 1.00 20.67 N ATOM 0 H GLN A 49 0.571 8.440 7.600 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.180 6.387 5.881 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.817 8.012 6.990 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.339 9.219 5.813 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.111 7.762 3.984 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.554 6.524 5.142 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.458 9.708 3.765 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.017 9.862 4.581 1.00 20.67 H new ATOM 794 N LEU A 50 0.352 7.090 3.445 1.00 6.51 N ATOM 795 CA LEU A 50 1.037 7.301 2.210 1.00 7.41 C ATOM 796 C LEU A 50 0.335 8.139 1.179 1.00 8.27 C ATOM 797 O LEU A 50 -0.864 8.087 1.196 1.00 8.34 O ATOM 798 CB LEU A 50 1.592 5.992 1.591 1.00 7.13 C ATOM 799 CG LEU A 50 2.375 5.029 2.467 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.990 4.045 1.487 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.478 5.644 3.305 1.00 9.11 C ATOM 0 H LEU A 50 -0.329 6.331 3.431 1.00 6.51 H new ATOM 0 HA LEU A 50 1.877 7.920 2.524 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.748 5.443 1.174 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.234 6.271 0.756 1.00 7.13 H new ATOM 0 HG LEU A 50 1.696 4.598 3.203 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.578 3.307 2.033 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.198 3.541 0.933 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.636 4.580 0.791 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.968 4.865 3.889 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.208 6.122 2.652 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.052 6.388 3.978 1.00 9.11 H new ATOM 813 N GLU A 51 1.064 8.951 0.423 1.00 9.43 N ATOM 814 CA GLU A 51 0.627 9.634 -0.826 1.00 11.90 C ATOM 815 C GLU A 51 1.131 8.949 -2.083 1.00 11.49 C ATOM 816 O GLU A 51 2.337 8.638 -2.222 1.00 9.88 O ATOM 817 CB GLU A 51 1.256 11.077 -0.764 1.00 16.56 C ATOM 818 CG GLU A 51 0.925 11.928 -2.025 1.00 26.06 C ATOM 819 CD GLU A 51 1.567 13.290 -1.843 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.105 14.084 -0.955 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.578 13.550 -2.562 1.00 32.13 O ATOM 0 H GLU A 51 2.030 9.174 0.663 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.462 9.628 -0.879 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.889 11.592 0.124 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.338 10.994 -0.660 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.305 11.443 -2.924 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.154 12.027 -2.148 1.00 26.06 H new ATOM 828 N ASP A 52 0.181 8.750 -3.002 1.00 12.71 N ATOM 829 CA ASP A 52 0.177 7.935 -4.163 1.00 16.56 C ATOM 830 C ASP A 52 1.317 8.088 -5.207 1.00 15.83 C ATOM 831 O ASP A 52 1.863 7.103 -5.738 1.00 17.21 O ATOM 832 CB ASP A 52 -1.207 8.259 -4.857 1.00 21.05 C ATOM 833 CG ASP A 52 -2.411 8.156 -3.833 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.439 8.817 -2.783 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.284 7.280 -4.040 1.00 28.37 O ATOM 0 H ASP A 52 -0.712 9.235 -2.911 1.00 12.71 H new ATOM 0 HA ASP A 52 0.338 6.912 -3.822 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.175 9.262 -5.282 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.371 7.567 -5.683 1.00 21.05 H new ATOM 840 N GLY A 53 1.702 9.335 -5.523 1.00 15.00 N ATOM 841 CA GLY A 53 2.686 9.625 -6.606 1.00 11.77 C ATOM 842 C GLY A 53 4.134 9.495 -6.248 1.00 11.10 C ATOM 843 O GLY A 53 5.086 9.736 -6.964 1.00 11.25 O ATOM 0 H GLY A 53 1.352 10.168 -5.049 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.480 8.956 -7.442 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.513 10.641 -6.961 1.00 11.77 H new ATOM 847 N ARG A 54 4.420 9.115 -5.045 1.00 8.53 N ATOM 848 CA ARG A 54 5.745 8.882 -4.462 1.00 9.05 C ATOM 849 C ARG A 54 6.142 7.415 -4.492 1.00 8.96 C ATOM 850 O ARG A 54 5.313 6.513 -4.654 1.00 11.60 O ATOM 851 CB ARG A 54 5.726 9.373 -3.012 1.00 7.97 C ATOM 852 CG ARG A 54 5.170 10.795 -2.826 1.00 9.62 C ATOM 853 CD ARG A 54 5.561 11.443 -1.458 1.00 12.20 C ATOM 854 NE ARG A 54 4.718 12.619 -1.260 1.00 18.23 N ATOM 855 CZ ARG A 54 4.823 13.347 -0.114 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.669 13.052 0.879 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.946 14.253 0.034 1.00 23.38 N ATOM 0 H ARG A 54 3.680 8.938 -4.366 1.00 8.53 H new ATOM 0 HA ARG A 54 6.479 9.426 -5.056 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.129 8.683 -2.416 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.741 9.339 -2.617 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.533 11.428 -3.636 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.083 10.765 -2.908 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.420 10.731 -0.645 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.614 11.724 -1.456 1.00 12.20 H new ATOM 0 HE ARG A 54 4.051 12.895 -1.980 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.283 12.241 0.802 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.700 13.638 1.713 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.231 14.392 -0.680 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.957 14.842 0.867 1.00 23.38 H new ATOM 871 N THR A 55 7.444 7.153 -4.305 1.00 9.05 N ATOM 872 CA THR A 55 7.943 5.761 -4.461 1.00 9.03 C ATOM 873 C THR A 55 8.069 5.064 -3.129 1.00 8.15 C ATOM 874 O THR A 55 8.204 5.717 -2.061 1.00 5.91 O ATOM 875 CB THR A 55 9.277 5.638 -5.231 1.00 11.15 C ATOM 876 OG1 THR A 55 10.147 6.606 -4.626 1.00 11.95 O ATOM 877 CG2 THR A 55 9.040 6.030 -6.748 1.00 11.71 C ATOM 0 H THR A 55 8.150 7.846 -4.056 1.00 9.05 H new ATOM 0 HA THR A 55 7.183 5.271 -5.069 1.00 9.03 H new ATOM 0 HB THR A 55 9.687 4.629 -5.193 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.978 6.169 -4.346 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.978 5.945 -7.297 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.301 5.359 -7.186 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.677 7.056 -6.806 1.00 11.71 H new ATOM 885 N LEU A 56 8.197 3.724 -3.108 1.00 6.91 N ATOM 886 CA LEU A 56 8.510 2.970 -1.901 1.00 8.29 C ATOM 887 C LEU A 56 9.831 3.294 -1.239 1.00 8.05 C ATOM 888 O LEU A 56 9.979 3.285 -0.017 1.00 10.17 O ATOM 889 CB LEU A 56 8.507 1.445 -2.199 1.00 6.60 C ATOM 890 CG LEU A 56 7.105 0.950 -2.660 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.245 -0.534 -3.094 1.00 9.85 C ATOM 892 CD2 LEU A 56 5.939 1.083 -1.633 1.00 8.64 C ATOM 0 H LEU A 56 8.084 3.140 -3.937 1.00 6.91 H new ATOM 0 HA LEU A 56 7.726 3.268 -1.205 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.243 1.224 -2.972 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.810 0.899 -1.305 1.00 6.60 H new ATOM 0 HG LEU A 56 6.812 1.615 -3.473 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.276 -0.910 -3.423 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.960 -0.608 -3.913 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.597 -1.128 -2.251 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.018 0.704 -2.077 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.175 0.507 -0.738 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.808 2.131 -1.365 1.00 8.64 H new ATOM 904 N SER A 57 10.785 3.673 -2.090 1.00 8.92 N ATOM 905 CA SER A 57 12.146 4.172 -1.634 1.00 9.00 C ATOM 906 C SER A 57 12.067 5.492 -0.885 1.00 9.44 C ATOM 907 O SER A 57 12.863 5.731 0.045 1.00 10.91 O ATOM 908 CB SER A 57 13.156 4.342 -2.835 1.00 10.32 C ATOM 909 OG SER A 57 12.551 5.183 -3.857 1.00 13.59 O ATOM 0 H SER A 57 10.671 3.656 -3.103 1.00 8.92 H new ATOM 0 HA SER A 57 12.513 3.400 -0.957 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.085 4.789 -2.483 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.409 3.368 -3.253 1.00 10.32 H new ATOM 0 HG SER A 57 13.176 5.292 -4.604 1.00 13.59 H new ATOM 915 N ASP A 58 11.190 6.376 -1.265 1.00 9.11 N ATOM 916 CA ASP A 58 11.075 7.732 -0.647 1.00 7.91 C ATOM 917 C ASP A 58 10.593 7.643 0.751 1.00 9.12 C ATOM 918 O ASP A 58 11.066 8.355 1.648 1.00 8.61 O ATOM 919 CB ASP A 58 9.985 8.589 -1.443 1.00 8.41 C ATOM 920 CG ASP A 58 9.781 10.081 -1.086 1.00 11.50 C ATOM 921 OD1 ASP A 58 9.352 10.304 0.097 1.00 11.70 O ATOM 922 OD2 ASP A 58 10.037 10.976 -1.869 1.00 10.05 O ATOM 0 H ASP A 58 10.517 6.208 -2.013 1.00 9.11 H new ATOM 0 HA ASP A 58 12.063 8.190 -0.681 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.239 8.538 -2.502 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.024 8.089 -1.321 1.00 8.41 H new ATOM 927 N TYR A 59 9.684 6.620 0.989 1.00 7.97 N ATOM 928 CA TYR A 59 9.102 6.294 2.238 1.00 8.45 C ATOM 929 C TYR A 59 9.993 5.260 2.919 1.00 10.98 C ATOM 930 O TYR A 59 9.561 4.811 3.996 1.00 12.95 O ATOM 931 CB TYR A 59 7.629 5.820 2.180 1.00 7.94 C ATOM 932 CG TYR A 59 6.654 7.021 1.930 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.371 7.830 3.073 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.140 7.393 0.725 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.282 8.742 3.011 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.056 8.290 0.685 1.00 6.52 C ATOM 937 CZ TYR A 59 4.586 8.846 1.818 1.00 6.76 C ATOM 938 OH TYR A 59 3.505 9.812 1.772 1.00 7.63 O ATOM 0 H TYR A 59 9.361 6.007 0.241 1.00 7.97 H new ATOM 0 HA TYR A 59 9.048 7.216 2.817 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.513 5.083 1.385 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.367 5.325 3.115 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.972 7.750 3.967 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.560 7.004 -0.191 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.006 9.336 3.869 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.598 8.534 -0.262 1.00 6.52 H new ATOM 0 HH TYR A 59 3.688 10.475 1.074 1.00 7.63 H new ATOM 948 N ASN A 60 11.157 4.983 2.388 1.00 12.38 N ATOM 949 CA ASN A 60 12.167 4.069 3.002 1.00 13.94 C ATOM 950 C ASN A 60 11.585 2.618 3.200 1.00 14.16 C ATOM 951 O ASN A 60 11.890 1.954 4.182 1.00 14.26 O ATOM 952 CB ASN A 60 12.903 4.604 4.223 1.00 19.23 C ATOM 953 CG ASN A 60 13.439 5.988 3.780 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.065 6.249 2.726 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.130 6.980 4.592 1.00 24.09 N ATOM 0 H ASN A 60 11.463 5.379 1.500 1.00 12.38 H new ATOM 0 HA ASN A 60 12.968 4.009 2.265 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.236 4.693 5.081 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.715 3.940 4.519 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.400 7.935 4.356 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.621 6.792 5.456 1.00 24.09 H new ATOM 962 N ILE A 61 10.656 2.162 2.378 1.00 11.08 N ATOM 963 CA ILE A 61 10.048 0.851 2.518 1.00 11.78 C ATOM 964 C ILE A 61 10.944 -0.203 1.927 1.00 13.74 C ATOM 965 O ILE A 61 11.254 -0.397 0.745 1.00 14.60 O ATOM 966 CB ILE A 61 8.611 0.800 1.932 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.719 1.726 2.746 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.031 -0.596 1.752 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.486 2.117 1.902 1.00 11.42 C ATOM 0 H ILE A 61 10.299 2.697 1.587 1.00 11.08 H new ATOM 0 HA ILE A 61 9.939 0.643 3.582 1.00 11.78 H new ATOM 0 HB ILE A 61 8.665 1.157 0.904 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.403 1.231 3.665 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.272 2.619 3.038 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.026 -0.522 1.338 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.663 -1.167 1.072 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.989 -1.100 2.718 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.844 2.781 2.481 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.812 2.628 0.996 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.930 1.219 1.632 1.00 11.42 H new ATOM 981 N GLN A 62 11.501 -1.037 2.851 1.00 13.97 N ATOM 982 CA GLN A 62 12.324 -2.141 2.537 1.00 15.52 C ATOM 983 C GLN A 62 11.567 -3.418 2.329 1.00 13.94 C ATOM 984 O GLN A 62 10.400 -3.565 2.644 1.00 12.15 O ATOM 985 CB GLN A 62 13.455 -2.264 3.540 1.00 19.53 C ATOM 986 CG GLN A 62 14.273 -0.965 3.835 1.00 26.38 C ATOM 987 CD GLN A 62 15.426 -1.233 4.796 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.341 -2.084 5.686 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.552 -0.446 4.669 1.00 32.71 N ATOM 0 H GLN A 62 11.358 -0.918 3.854 1.00 13.97 H new ATOM 0 HA GLN A 62 12.771 -1.943 1.563 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.039 -2.625 4.480 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.146 -3.028 3.183 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.664 -0.561 2.901 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.614 -0.208 4.259 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.605 0.252 3.927 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.331 -0.563 5.317 1.00 32.71 H new ATOM 998 N LYS A 63 12.354 -4.448 1.897 1.00 11.73 N ATOM 999 CA LYS A 63 11.982 -5.813 1.794 1.00 11.97 C ATOM 1000 C LYS A 63 11.437 -6.350 3.133 1.00 10.41 C ATOM 1001 O LYS A 63 11.836 -5.948 4.260 1.00 9.59 O ATOM 1002 CB LYS A 63 13.115 -6.784 1.313 1.00 13.73 C ATOM 1003 CG LYS A 63 14.362 -6.853 2.274 1.00 16.98 C ATOM 1004 CD LYS A 63 15.606 -7.693 1.738 1.00 20.19 C ATOM 1005 CE LYS A 63 16.627 -8.197 2.795 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.868 -8.507 2.088 1.00 25.97 N ATOM 0 H LYS A 63 13.318 -4.292 1.603 1.00 11.73 H new ATOM 0 HA LYS A 63 11.213 -5.807 1.022 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.698 -7.785 1.206 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.450 -6.471 0.324 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.696 -5.836 2.479 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.041 -7.280 3.224 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.222 -8.559 1.198 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.143 -7.079 1.015 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.799 -7.436 3.557 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.246 -9.080 3.307 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.578 -8.849 2.767 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.687 -9.243 1.376 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.223 -7.650 1.618 1.00 25.97 H new ATOM 1020 N GLU A 64 10.459 -7.299 3.063 1.00 10.04 N ATOM 1021 CA GLU A 64 9.883 -8.003 4.228 1.00 10.94 C ATOM 1022 C GLU A 64 9.246 -7.091 5.318 1.00 9.74 C ATOM 1023 O GLU A 64 9.044 -7.451 6.456 1.00 9.42 O ATOM 1024 CB GLU A 64 10.857 -9.056 4.783 1.00 18.31 C ATOM 1025 CG GLU A 64 11.146 -10.199 3.788 1.00 24.16 C ATOM 1026 CD GLU A 64 12.170 -11.053 4.409 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.852 -11.851 5.288 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.394 -10.907 4.032 1.00 31.72 O ATOM 0 H GLU A 64 10.048 -7.595 2.177 1.00 10.04 H new ATOM 0 HA GLU A 64 9.014 -8.537 3.842 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.795 -8.569 5.050 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.444 -9.477 5.700 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.241 -10.769 3.581 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.498 -9.803 2.836 1.00 24.16 H new ATOM 1035 N SER A 65 8.878 -5.868 4.981 1.00 6.85 N ATOM 1036 CA SER A 65 8.073 -4.970 5.710 1.00 6.90 C ATOM 1037 C SER A 65 6.600 -5.360 5.708 1.00 4.72 C ATOM 1038 O SER A 65 6.121 -6.099 4.847 1.00 3.91 O ATOM 1039 CB SER A 65 7.965 -3.578 5.037 1.00 7.28 C ATOM 1040 OG SER A 65 9.220 -2.968 4.982 1.00 10.56 O ATOM 0 H SER A 65 9.179 -5.461 4.096 1.00 6.85 H new ATOM 0 HA SER A 65 8.551 -4.975 6.690 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.560 -3.683 4.031 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.272 -2.949 5.595 1.00 7.28 H new ATOM 0 HG SER A 65 9.557 -2.994 4.062 1.00 10.56 H new ATOM 1046 N THR A 66 5.865 -4.875 6.765 1.00 4.48 N ATOM 1047 CA THR A 66 4.463 -5.095 6.897 1.00 3.80 C ATOM 1048 C THR A 66 3.970 -3.675 6.900 1.00 4.60 C ATOM 1049 O THR A 66 4.298 -2.808 7.672 1.00 5.33 O ATOM 1050 CB THR A 66 4.113 -5.608 8.244 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.655 -6.836 8.533 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.606 -5.731 8.375 1.00 3.40 C ATOM 0 H THR A 66 6.270 -4.327 7.524 1.00 4.48 H new ATOM 0 HA THR A 66 4.078 -5.786 6.147 1.00 3.80 H new ATOM 0 HB THR A 66 4.529 -4.885 8.946 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.384 -7.109 9.434 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.357 -6.108 9.367 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.147 -4.752 8.233 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.230 -6.421 7.619 1.00 3.40 H new ATOM 1060 N LEU A 67 2.952 -3.399 6.025 1.00 4.17 N ATOM 1061 CA LEU A 67 2.157 -2.184 5.827 1.00 3.85 C ATOM 1062 C LEU A 67 0.718 -2.444 6.222 1.00 3.80 C ATOM 1063 O LEU A 67 0.103 -3.492 6.102 1.00 5.54 O ATOM 1064 CB LEU A 67 2.218 -1.686 4.384 1.00 7.18 C ATOM 1065 CG LEU A 67 3.641 -1.264 3.963 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.426 -2.450 3.448 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.560 -0.100 2.971 1.00 11.66 C ATOM 0 H LEU A 67 2.649 -4.123 5.373 1.00 4.17 H new ATOM 0 HA LEU A 67 2.581 -1.405 6.460 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.863 -2.472 3.717 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.542 -0.839 4.267 1.00 7.18 H new ATOM 0 HG LEU A 67 4.194 -0.903 4.830 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.426 -2.126 3.158 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.502 -3.204 4.231 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.917 -2.875 2.583 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.566 0.196 2.675 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.999 -0.411 2.090 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.057 0.745 3.441 1.00 11.66 H new ATOM 1079 N HIS A 68 0.011 -1.384 6.667 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.343 -1.536 7.116 1.00 4.17 C ATOM 1081 C HIS A 68 -2.188 -0.940 6.031 1.00 5.32 C ATOM 1082 O HIS A 68 -1.791 0.068 5.428 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.594 -0.768 8.443 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.542 -1.018 9.520 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.711 -0.402 9.523 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.455 -1.919 10.507 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.474 -1.031 10.444 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.775 -1.902 11.101 1.00 16.30 N ATOM 0 H HIS A 68 0.372 -0.431 6.716 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.572 -2.584 7.308 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.632 0.300 8.230 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.572 -1.050 8.834 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.998 0.381 8.936 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.259 -2.579 10.798 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.523 -0.835 10.610 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.356 -1.561 5.723 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.370 -1.086 4.794 1.00 3.97 C ATOM 1098 C LEU A 69 -5.615 -0.828 5.624 1.00 5.07 C ATOM 1099 O LEU A 69 -6.090 -1.685 6.366 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.691 -2.199 3.805 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.809 -1.892 2.760 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.370 -0.838 1.690 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.256 -3.149 2.032 1.00 9.96 C ATOM 0 H LEU A 69 -3.613 -2.452 6.148 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.036 -0.198 4.258 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.778 -2.452 3.266 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.983 -3.085 4.369 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.635 -1.480 3.340 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.189 -0.666 0.991 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.113 0.098 2.186 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.502 -1.211 1.147 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.035 -2.895 1.313 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.407 -3.587 1.508 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.647 -3.867 2.753 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.194 0.387 5.401 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.518 0.827 5.861 1.00 6.26 C ATOM 1117 C VAL A 70 -8.290 1.215 4.634 1.00 9.22 C ATOM 1118 O VAL A 70 -7.720 1.788 3.673 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.605 1.974 6.883 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.933 1.522 8.196 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -7.024 3.319 6.391 1.00 8.54 C ATOM 0 H VAL A 70 -5.715 1.112 4.868 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.915 -0.019 6.422 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.663 2.179 7.043 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.988 2.327 8.929 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.447 0.642 8.584 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.888 1.277 8.004 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -7.128 4.069 7.175 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.969 3.192 6.147 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.565 3.646 5.503 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.628 0.897 4.636 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.467 1.195 3.551 1.00 16.06 C ATOM 1133 C LEU A 71 -11.541 2.163 3.909 1.00 18.09 C ATOM 1134 O LEU A 71 -12.462 1.846 4.665 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.178 -0.050 2.867 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.334 -1.247 2.390 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.336 -2.160 1.489 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.127 -0.812 1.484 1.00 19.57 C ATOM 0 H LEU A 71 -10.098 0.430 5.412 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.765 1.621 2.834 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.914 -0.433 3.574 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.729 0.324 2.004 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.918 -1.766 3.254 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.798 -3.032 1.117 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.178 -2.487 2.099 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.704 -1.574 0.647 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.566 -1.695 1.176 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.503 -0.295 0.601 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.473 -0.144 2.045 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.449 3.380 3.410 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.552 4.319 3.528 1.00 25.83 C ATOM 1152 C ARG A 72 -13.872 3.812 2.790 1.00 27.74 C ATOM 1153 O ARG A 72 -13.825 3.097 1.808 1.00 30.65 O ATOM 1154 CB ARG A 72 -12.073 5.730 3.185 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.629 5.869 1.740 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.112 7.269 1.395 1.00 34.05 C ATOM 1157 NE ARG A 72 -12.376 8.129 1.350 1.00 35.08 N ATOM 1158 CZ ARG A 72 -12.420 9.482 1.237 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -11.381 10.257 0.925 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -13.590 10.106 1.386 1.00 35.02 N ATOM 0 H ARG A 72 -10.630 3.742 2.922 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.882 4.375 4.565 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -12.877 6.439 3.382 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.245 5.996 3.841 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -10.845 5.140 1.537 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -12.466 5.627 1.085 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.409 7.631 2.145 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.589 7.277 0.439 1.00 34.05 H new ATOM 0 HE ARG A 72 -13.270 7.641 1.411 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.467 9.839 0.751 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -11.500 11.268 0.861 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -14.434 9.568 1.582 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -13.640 11.121 1.304 1.00 35.02 H new ATOM 1174 N LEU A 73 -15.004 4.296 3.255 1.00 28.93 N ATOM 1175 CA LEU A 73 -16.277 3.910 2.800 1.00 30.76 C ATOM 1176 C LEU A 73 -17.147 5.127 2.665 1.00 32.18 C ATOM 1177 O LEU A 73 -16.840 6.205 3.147 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.932 2.969 3.822 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.131 1.676 3.920 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.700 0.797 5.060 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.184 0.779 2.670 1.00 29.11 C ATOM 0 H LEU A 73 -15.038 4.999 3.993 1.00 28.93 H new ATOM 0 HA LEU A 73 -16.170 3.406 1.840 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.980 3.453 4.797 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.958 2.751 3.524 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.105 2.010 4.075 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.126 -0.127 5.128 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.632 1.337 6.004 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.743 0.561 4.851 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.584 -0.115 2.838 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.217 0.491 2.472 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.789 1.325 1.813 1.00 29.11 H new ATOM 1193 N ARG A 74 -18.357 5.061 1.943 1.00 33.82 N ATOM 1194 CA ARG A 74 -19.270 6.164 1.723 1.00 35.33 C ATOM 1195 C ARG A 74 -19.829 6.750 3.010 1.00 36.22 C ATOM 1196 O ARG A 74 -19.948 7.926 3.264 1.00 36.70 O ATOM 1197 CB ARG A 74 -20.421 5.847 0.804 1.00 36.91 C ATOM 1198 CG ARG A 74 -20.129 5.557 -0.717 1.00 38.62 C ATOM 1199 CD ARG A 74 -19.466 6.733 -1.518 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.993 6.154 -2.810 1.00 41.13 N ATOM 1201 CZ ARG A 74 -18.392 6.838 -3.782 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -18.204 8.170 -3.696 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.765 6.195 -4.809 1.00 41.93 N ATOM 0 H ARG A 74 -18.680 4.195 1.511 1.00 33.82 H new ATOM 0 HA ARG A 74 -18.637 6.904 1.233 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -20.937 4.977 1.211 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -21.119 6.683 0.851 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -19.479 4.685 -0.783 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -21.068 5.293 -1.205 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -20.182 7.536 -1.692 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -18.635 7.163 -0.959 1.00 39.75 H new ATOM 0 HE ARG A 74 -19.142 5.156 -2.960 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -18.525 8.678 -2.872 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -17.741 8.670 -4.455 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.752 5.176 -4.840 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -17.309 6.734 -5.546 1.00 41.93 H new ATOM 1217 N GLY A 75 -20.099 5.859 3.893 1.00 36.31 N ATOM 1218 CA GLY A 75 -20.580 6.158 5.204 1.00 36.07 C ATOM 1219 C GLY A 75 -19.472 6.185 6.238 1.00 36.16 C ATOM 1220 O GLY A 75 -19.843 6.402 7.428 1.00 36.26 O ATOM 0 H GLY A 75 -19.989 4.860 3.721 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -21.084 7.125 5.191 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -21.324 5.415 5.493 1.00 36.07 H new ATOM 1224 N GLY A 76 -18.211 5.982 5.814 1.00 36.05 N ATOM 1225 CA GLY A 76 -17.043 5.691 6.707 1.00 36.19 C ATOM 1226 C GLY A 76 -15.706 6.161 6.085 1.00 36.20 C ATOM 1227 O GLY A 76 -14.813 5.319 5.781 1.00 0.00 O ATOM 1228 OXT GLY A 76 -15.485 7.408 6.051 1.00 0.00 O ATOM 0 H GLY A 76 -17.957 6.013 4.827 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -17.189 6.185 7.668 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -16.995 4.620 6.903 1.00 36.19 H new TER 1232 GLY A 76