USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 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 133:sc= 1.3 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.07 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.0503 K(o=0.05,f=-4.2!) USER MOD Set 3.1: A 7 THR OG1 : rot 112:sc= -0.546 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.0464 USER MOD Single : A 1 MET CE :methyl 179:sc= -0.109 (180deg=-0.113) USER MOD Single : A 1 MET N :NH3+ -170:sc= 2.35 (180deg=2.3) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 178:sc= 1.22 (180deg=1.11) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00339 USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= 1.24 (180deg=1.23) USER MOD Single : A 29 LYS NZ :NH3+ 145:sc= 1.22 (180deg=0.425) USER MOD Single : A 31 GLN : amide:sc= -0.384 X(o=-0.38,f=-0.39) USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= -0.0374 (180deg=-0.525) USER MOD Single : A 40 GLN : amide:sc= -0.0012 X(o=-0.0012,f=-0.32) USER MOD Single : A 41 GLN : amide:sc= 0.829 K(o=0.83,f=-4.6!) 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 15:sc= 0.108 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.18) USER MOD Single : A 63 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00876) USER MOD Single : A 65 SER OG : rot 64:sc= 1.25 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0941 K(o=-0.094,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.523 -6.878 -4.611 1.00 9.67 N ATOM 2 CA MET A 1 11.510 -6.751 -3.188 1.00 10.38 C ATOM 3 C MET A 1 10.171 -7.106 -2.667 1.00 9.62 C ATOM 4 O MET A 1 9.142 -6.555 -3.061 1.00 9.62 O ATOM 5 CB MET A 1 11.737 -5.240 -2.746 1.00 13.77 C ATOM 6 CG MET A 1 11.692 -4.948 -1.263 1.00 16.29 C ATOM 7 SD MET A 1 11.930 -3.199 -0.840 1.00 17.17 S ATOM 8 CE MET A 1 10.435 -2.363 -1.438 1.00 16.11 C ATOM 0 H1 MET A 1 12.500 -6.795 -4.958 1.00 9.67 H new ATOM 0 H2 MET A 1 11.138 -7.806 -4.880 1.00 9.67 H new ATOM 0 H3 MET A 1 10.941 -6.126 -5.032 1.00 9.67 H new ATOM 0 HA MET A 1 12.297 -7.401 -2.805 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.706 -4.917 -3.126 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.981 -4.626 -3.236 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.731 -5.278 -0.868 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.461 -5.538 -0.765 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.494 -1.300 -1.203 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.353 -2.492 -2.517 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.559 -2.794 -0.953 1.00 16.11 H new ATOM 20 N GLN A 2 10.084 -8.095 -1.760 1.00 9.27 N ATOM 21 CA GLN A 2 8.749 -8.513 -1.215 1.00 9.07 C ATOM 22 C GLN A 2 8.313 -7.514 -0.201 1.00 8.72 C ATOM 23 O GLN A 2 9.113 -6.907 0.523 1.00 8.22 O ATOM 24 CB GLN A 2 8.966 -9.885 -0.503 1.00 14.46 C ATOM 25 CG GLN A 2 7.610 -10.697 -0.396 1.00 17.01 C ATOM 26 CD GLN A 2 7.978 -12.132 -0.058 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.569 -12.498 0.952 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.688 -13.008 -1.027 1.00 19.49 N ATOM 0 H GLN A 2 10.881 -8.613 -1.390 1.00 9.27 H new ATOM 0 HA GLN A 2 8.000 -8.585 -2.004 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.701 -10.471 -1.054 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.373 -9.719 0.494 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.966 -10.272 0.374 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.058 -10.651 -1.335 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.196 -12.697 -1.865 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.959 -13.986 -0.928 1.00 19.49 H new ATOM 37 N ILE A 3 7.016 -7.239 -0.100 1.00 5.87 N ATOM 38 CA ILE A 3 6.424 -6.509 1.012 1.00 5.07 C ATOM 39 C ILE A 3 5.223 -7.302 1.450 1.00 4.01 C ATOM 40 O ILE A 3 4.814 -8.199 0.730 1.00 4.61 O ATOM 41 CB ILE A 3 6.021 -5.027 0.705 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.134 -4.856 -0.547 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.248 -4.186 0.487 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.382 -3.483 -0.618 1.00 10.83 C ATOM 0 H ILE A 3 6.335 -7.524 -0.804 1.00 5.87 H new ATOM 0 HA ILE A 3 7.180 -6.413 1.791 1.00 5.07 H new ATOM 0 HB ILE A 3 5.449 -4.710 1.577 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.755 -4.964 -1.436 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.400 -5.661 -0.571 1.00 4.72 H new ATOM 0 HG21 ILE A 3 6.952 -3.159 0.275 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.868 -4.207 1.384 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.815 -4.582 -0.355 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.782 -3.444 -1.527 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.732 -3.379 0.251 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.108 -2.670 -0.627 1.00 10.83 H new ATOM 56 N PHE A 4 4.560 -7.024 2.644 1.00 4.55 N ATOM 57 CA PHE A 4 3.424 -7.638 3.163 1.00 4.68 C ATOM 58 C PHE A 4 2.357 -6.632 3.425 1.00 5.30 C ATOM 59 O PHE A 4 2.628 -5.657 4.093 1.00 5.58 O ATOM 60 CB PHE A 4 3.835 -8.271 4.526 1.00 4.83 C ATOM 61 CG PHE A 4 4.613 -9.604 4.423 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.560 -10.500 3.337 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.526 -9.983 5.448 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.316 -11.710 3.295 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.294 -11.150 5.452 1.00 10.61 C ATOM 66 CZ PHE A 4 6.144 -12.061 4.385 1.00 8.90 C ATOM 0 H PHE A 4 4.898 -6.288 3.264 1.00 4.55 H new ATOM 0 HA PHE A 4 3.045 -8.377 2.457 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.446 -7.553 5.073 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.935 -8.439 5.117 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.920 -10.261 2.501 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.633 -9.315 6.290 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.255 -12.356 2.432 1.00 9.10 H new ATOM 0 HE2 PHE A 4 6.988 -11.351 6.255 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.655 -13.013 4.401 1.00 8.90 H new ATOM 76 N VAL A 5 1.113 -6.846 2.966 1.00 4.44 N ATOM 77 CA VAL A 5 0.098 -5.864 3.172 1.00 3.87 C ATOM 78 C VAL A 5 -0.980 -6.499 3.986 1.00 4.93 C ATOM 79 O VAL A 5 -1.542 -7.539 3.664 1.00 6.84 O ATOM 80 CB VAL A 5 -0.461 -5.245 1.897 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.780 -4.457 1.962 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.682 -4.366 1.285 1.00 9.13 C ATOM 0 H VAL A 5 0.814 -7.681 2.462 1.00 4.44 H new ATOM 0 HA VAL A 5 0.549 -5.019 3.693 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.764 -6.090 1.279 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.032 -4.086 0.968 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.577 -5.110 2.318 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.668 -3.615 2.645 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.329 -3.899 0.366 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.968 -3.593 1.998 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.545 -4.994 1.065 1.00 9.13 H new ATOM 92 N LYS A 6 -1.229 -5.858 5.167 1.00 6.04 N ATOM 93 CA LYS A 6 -2.061 -6.452 6.277 1.00 6.12 C ATOM 94 C LYS A 6 -3.416 -5.726 6.391 1.00 6.57 C ATOM 95 O LYS A 6 -3.499 -4.537 6.532 1.00 5.76 O ATOM 96 CB LYS A 6 -1.339 -6.447 7.619 1.00 7.45 C ATOM 97 CG LYS A 6 -1.761 -7.624 8.512 1.00 11.12 C ATOM 98 CD LYS A 6 -0.868 -7.823 9.717 1.00 14.54 C ATOM 99 CE LYS A 6 -0.963 -6.795 10.802 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.106 -7.089 11.908 1.00 20.55 N ATOM 0 H LYS A 6 -0.868 -4.928 5.381 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.237 -7.495 6.014 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.263 -6.489 7.450 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.544 -5.510 8.136 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.784 -7.462 8.852 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -1.763 -8.537 7.917 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.094 -8.797 10.151 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.165 -7.859 9.372 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.705 -5.817 10.396 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.994 -6.733 11.151 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.208 -6.349 12.632 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.368 -8.010 12.315 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.881 -7.122 11.583 1.00 20.55 H new ATOM 114 N THR A 7 -4.534 -6.448 6.194 1.00 7.41 N ATOM 115 CA THR A 7 -5.855 -5.839 6.106 1.00 7.48 C ATOM 116 C THR A 7 -6.507 -5.784 7.435 1.00 8.75 C ATOM 117 O THR A 7 -6.078 -6.434 8.412 1.00 8.58 O ATOM 118 CB THR A 7 -6.756 -6.464 5.112 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.048 -7.849 5.430 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.896 -6.529 3.795 1.00 9.17 C ATOM 0 H THR A 7 -4.538 -7.463 6.093 1.00 7.41 H new ATOM 0 HA THR A 7 -5.675 -4.826 5.745 1.00 7.48 H new ATOM 0 HB THR A 7 -7.689 -5.903 5.059 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.993 -7.937 5.673 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.486 -6.981 2.997 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.602 -5.521 3.502 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.004 -7.130 3.972 1.00 9.17 H new ATOM 128 N LEU A 8 -7.618 -4.990 7.534 1.00 9.84 N ATOM 129 CA LEU A 8 -8.439 -4.795 8.716 1.00 14.15 C ATOM 130 C LEU A 8 -8.900 -6.146 9.316 1.00 17.37 C ATOM 131 O LEU A 8 -8.926 -6.409 10.529 1.00 17.01 O ATOM 132 CB LEU A 8 -9.792 -4.032 8.430 1.00 16.63 C ATOM 133 CG LEU A 8 -10.548 -3.603 9.737 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.777 -2.681 10.680 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.869 -2.870 9.394 1.00 18.59 C ATOM 0 H LEU A 8 -7.960 -4.453 6.737 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.794 -4.221 9.381 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.582 -3.145 7.832 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.443 -4.672 7.834 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.706 -4.551 10.252 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.394 -2.450 11.548 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.863 -3.177 11.007 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.523 -1.758 10.159 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.375 -2.582 10.315 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.649 -1.978 8.808 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.514 -3.533 8.817 1.00 18.59 H new ATOM 147 N THR A 9 -9.194 -7.083 8.394 1.00 18.33 N ATOM 148 CA THR A 9 -9.719 -8.402 8.666 1.00 19.24 C ATOM 149 C THR A 9 -8.592 -9.381 8.857 1.00 19.48 C ATOM 150 O THR A 9 -8.762 -10.566 9.004 1.00 23.14 O ATOM 151 CB THR A 9 -10.663 -8.941 7.544 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.184 -8.529 6.246 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.995 -8.189 7.820 1.00 19.70 C ATOM 0 H THR A 9 -9.059 -6.916 7.397 1.00 18.33 H new ATOM 0 HA THR A 9 -10.312 -8.305 9.576 1.00 19.24 H new ATOM 0 HB THR A 9 -10.740 -10.028 7.547 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.783 -8.874 5.552 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.742 -8.491 7.086 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.350 -8.434 8.821 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.828 -7.114 7.747 1.00 19.70 H new ATOM 161 N GLY A 10 -7.364 -8.839 9.069 1.00 19.43 N ATOM 162 CA GLY A 10 -6.233 -9.608 9.472 1.00 18.74 C ATOM 163 C GLY A 10 -5.592 -10.469 8.385 1.00 17.62 C ATOM 164 O GLY A 10 -4.627 -11.120 8.681 1.00 19.74 O ATOM 0 H GLY A 10 -7.165 -7.845 8.955 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.476 -8.928 9.864 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.534 -10.258 10.294 1.00 18.74 H new ATOM 168 N LYS A 11 -6.028 -10.416 7.175 1.00 13.56 N ATOM 169 CA LYS A 11 -5.456 -11.098 6.073 1.00 11.91 C ATOM 170 C LYS A 11 -4.152 -10.421 5.592 1.00 10.18 C ATOM 171 O LYS A 11 -4.187 -9.222 5.391 1.00 9.10 O ATOM 172 CB LYS A 11 -6.475 -11.046 4.937 1.00 13.43 C ATOM 173 CG LYS A 11 -5.936 -11.838 3.654 1.00 16.69 C ATOM 174 CD LYS A 11 -6.712 -11.646 2.372 1.00 17.92 C ATOM 175 CE LYS A 11 -8.185 -11.961 2.467 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.751 -11.565 1.194 1.00 21.93 N ATOM 0 H LYS A 11 -6.843 -9.861 6.915 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.212 -12.118 6.370 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.418 -11.480 5.268 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.678 -10.009 4.671 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.903 -11.538 3.476 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.923 -12.902 3.890 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.597 -10.612 2.046 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.270 -12.275 1.599 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.348 -13.022 2.655 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.650 -11.417 3.289 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.767 -11.789 1.181 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.620 -10.542 1.059 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.273 -12.080 0.427 1.00 21.93 H new ATOM 190 N THR A 12 -3.098 -11.168 5.416 1.00 9.63 N ATOM 191 CA THR A 12 -1.869 -10.635 4.924 1.00 9.85 C ATOM 192 C THR A 12 -1.821 -11.070 3.455 1.00 11.66 C ATOM 193 O THR A 12 -2.052 -12.240 3.086 1.00 12.33 O ATOM 194 CB THR A 12 -0.555 -11.078 5.495 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.595 -10.816 6.895 1.00 10.91 O ATOM 196 CG2 THR A 12 0.616 -10.285 4.823 1.00 9.63 C ATOM 0 H THR A 12 -3.072 -12.169 5.612 1.00 9.63 H new ATOM 0 HA THR A 12 -1.920 -9.577 5.183 1.00 9.85 H new ATOM 0 HB THR A 12 -0.387 -12.139 5.309 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.250 -11.096 7.304 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.566 -10.613 5.244 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.612 -10.470 3.749 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.486 -9.219 5.008 1.00 9.63 H new ATOM 204 N ILE A 13 -1.570 -10.090 2.579 1.00 10.42 N ATOM 205 CA ILE A 13 -1.312 -10.318 1.151 1.00 11.84 C ATOM 206 C ILE A 13 0.079 -9.901 0.699 1.00 10.55 C ATOM 207 O ILE A 13 0.639 -8.951 1.236 1.00 11.92 O ATOM 208 CB ILE A 13 -2.274 -9.607 0.231 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.537 -8.089 0.541 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.618 -10.420 0.300 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.512 -7.293 -0.311 1.00 16.46 C ATOM 0 H ILE A 13 -1.540 -9.105 2.844 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.434 -11.398 1.073 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.825 -9.581 -0.762 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.882 -8.025 1.573 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.575 -7.578 0.494 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.359 -9.953 -0.348 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.441 -11.444 -0.030 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.986 -10.428 1.326 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.561 -6.267 0.054 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.174 -7.293 -1.347 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.501 -7.747 -0.252 1.00 16.46 H new ATOM 223 N THR A 14 0.699 -10.623 -0.216 1.00 9.39 N ATOM 224 CA THR A 14 2.092 -10.540 -0.435 1.00 9.63 C ATOM 225 C THR A 14 2.160 -9.937 -1.771 1.00 11.20 C ATOM 226 O THR A 14 1.508 -10.353 -2.690 1.00 11.63 O ATOM 227 CB THR A 14 2.711 -11.895 -0.451 1.00 10.38 C ATOM 228 OG1 THR A 14 2.561 -12.424 0.818 1.00 16.30 O ATOM 229 CG2 THR A 14 4.249 -11.681 -0.641 1.00 11.66 C ATOM 0 H THR A 14 0.223 -11.287 -0.826 1.00 9.39 H new ATOM 0 HA THR A 14 2.620 -9.979 0.336 1.00 9.63 H new ATOM 0 HB THR A 14 2.272 -12.529 -1.222 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.956 -13.320 0.848 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.751 -12.648 -0.660 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.430 -11.160 -1.581 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.638 -11.086 0.185 1.00 11.66 H new ATOM 237 N LEU A 15 2.976 -8.865 -1.875 1.00 8.29 N ATOM 238 CA LEU A 15 3.197 -8.235 -3.077 1.00 9.03 C ATOM 239 C LEU A 15 4.685 -8.199 -3.360 1.00 8.59 C ATOM 240 O LEU A 15 5.589 -8.040 -2.525 1.00 7.79 O ATOM 241 CB LEU A 15 2.674 -6.815 -3.228 1.00 11.08 C ATOM 242 CG LEU A 15 1.205 -6.614 -2.751 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.982 -5.126 -2.417 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.171 -7.123 -3.716 1.00 15.27 C ATOM 0 H LEU A 15 3.477 -8.454 -1.087 1.00 8.29 H new ATOM 0 HA LEU A 15 2.623 -8.835 -3.784 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.321 -6.141 -2.666 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.745 -6.524 -4.276 1.00 11.08 H new ATOM 0 HG LEU A 15 1.070 -7.222 -1.857 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.045 -4.978 -2.082 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.669 -4.824 -1.626 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.164 -4.522 -3.306 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.825 -6.945 -3.310 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.273 -6.601 -4.667 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.314 -8.192 -3.872 1.00 15.27 H new ATOM 256 N GLU A 16 4.994 -8.242 -4.651 1.00 11.04 N ATOM 257 CA GLU A 16 6.344 -8.199 -5.172 1.00 11.50 C ATOM 258 C GLU A 16 6.413 -6.900 -5.948 1.00 10.13 C ATOM 259 O GLU A 16 5.615 -6.666 -6.897 1.00 9.83 O ATOM 260 CB GLU A 16 6.703 -9.393 -6.085 1.00 17.22 C ATOM 261 CG GLU A 16 8.203 -9.359 -6.499 1.00 23.33 C ATOM 262 CD GLU A 16 9.176 -9.842 -5.436 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.802 -10.960 -4.921 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.201 -9.156 -5.090 1.00 28.90 O ATOM 0 H GLU A 16 4.286 -8.310 -5.382 1.00 11.04 H new ATOM 0 HA GLU A 16 7.063 -8.260 -4.355 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.488 -10.327 -5.566 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.077 -9.372 -6.977 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.331 -9.971 -7.392 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.465 -8.337 -6.772 1.00 23.33 H new ATOM 271 N VAL A 17 7.281 -5.983 -5.475 1.00 8.99 N ATOM 272 CA VAL A 17 7.340 -4.608 -5.902 1.00 8.85 C ATOM 273 C VAL A 17 8.817 -4.278 -6.112 1.00 8.04 C ATOM 274 O VAL A 17 9.656 -4.940 -5.514 1.00 8.99 O ATOM 275 CB VAL A 17 6.802 -3.690 -4.805 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.322 -3.979 -4.455 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.557 -3.830 -3.477 1.00 10.54 C ATOM 0 H VAL A 17 7.975 -6.207 -4.762 1.00 8.99 H new ATOM 0 HA VAL A 17 6.748 -4.466 -6.806 1.00 8.85 H new ATOM 0 HB VAL A 17 6.929 -2.694 -5.229 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.994 -3.297 -3.670 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.704 -3.836 -5.341 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.225 -5.007 -4.106 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.126 -3.152 -2.740 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.474 -4.856 -3.118 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.608 -3.582 -3.628 1.00 10.54 H new ATOM 287 N GLU A 18 9.149 -3.245 -6.860 1.00 7.29 N ATOM 288 CA GLU A 18 10.477 -2.640 -6.780 1.00 7.08 C ATOM 289 C GLU A 18 10.461 -1.536 -5.708 1.00 6.45 C ATOM 290 O GLU A 18 9.368 -0.998 -5.382 1.00 5.28 O ATOM 291 CB GLU A 18 10.929 -2.056 -8.148 1.00 10.28 C ATOM 292 CG GLU A 18 11.217 -3.047 -9.292 1.00 12.65 C ATOM 293 CD GLU A 18 12.339 -4.037 -9.033 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.454 -3.561 -8.728 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.143 -5.271 -9.177 1.00 14.33 O ATOM 0 H GLU A 18 8.522 -2.802 -7.532 1.00 7.29 H new ATOM 0 HA GLU A 18 11.194 -3.415 -6.508 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.157 -1.366 -8.489 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.831 -1.468 -7.979 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.305 -3.605 -9.504 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.458 -2.478 -10.190 1.00 12.65 H new ATOM 302 N PRO A 19 11.584 -1.080 -5.154 1.00 7.24 N ATOM 303 CA PRO A 19 11.737 0.176 -4.417 1.00 7.07 C ATOM 304 C PRO A 19 11.463 1.455 -5.280 1.00 6.65 C ATOM 305 O PRO A 19 11.048 2.499 -4.788 1.00 6.37 O ATOM 306 CB PRO A 19 13.184 0.263 -3.923 1.00 7.61 C ATOM 307 CG PRO A 19 13.680 -1.165 -4.006 1.00 8.16 C ATOM 308 CD PRO A 19 12.866 -1.810 -5.177 1.00 7.49 C ATOM 0 HA PRO A 19 11.004 0.159 -3.611 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.780 0.930 -4.546 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.237 0.646 -2.904 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.751 -1.200 -4.204 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.512 -1.696 -3.069 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.377 -1.692 -6.133 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.721 -2.879 -5.023 1.00 7.49 H new ATOM 316 N SER A 20 11.711 1.409 -6.580 1.00 6.80 N ATOM 317 CA SER A 20 11.440 2.448 -7.559 1.00 6.28 C ATOM 318 C SER A 20 10.057 2.490 -8.123 1.00 8.45 C ATOM 319 O SER A 20 9.732 3.336 -8.974 1.00 7.26 O ATOM 320 CB SER A 20 12.409 2.216 -8.783 1.00 8.57 C ATOM 321 OG SER A 20 12.293 0.860 -9.345 1.00 11.13 O ATOM 0 H SER A 20 12.137 0.587 -7.007 1.00 6.80 H new ATOM 0 HA SER A 20 11.581 3.385 -7.020 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.189 2.948 -9.560 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.438 2.387 -8.466 1.00 8.57 H new ATOM 0 HG SER A 20 12.910 0.765 -10.100 1.00 11.13 H new ATOM 327 N ASP A 21 9.124 1.669 -7.497 1.00 7.50 N ATOM 328 CA ASP A 21 7.729 1.789 -7.788 1.00 7.70 C ATOM 329 C ASP A 21 7.087 2.768 -6.865 1.00 7.08 C ATOM 330 O ASP A 21 7.669 2.918 -5.793 1.00 8.11 O ATOM 331 CB ASP A 21 7.067 0.405 -7.592 1.00 11.00 C ATOM 332 CG ASP A 21 7.483 -0.543 -8.703 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.946 -0.190 -9.843 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.273 -1.762 -8.451 1.00 18.03 O ATOM 0 H ASP A 21 9.358 0.950 -6.812 1.00 7.50 H new ATOM 0 HA ASP A 21 7.603 2.137 -8.813 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.354 -0.009 -6.625 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.982 0.512 -7.583 1.00 11.00 H new ATOM 339 N THR A 22 5.985 3.444 -7.223 1.00 5.37 N ATOM 340 CA THR A 22 5.349 4.424 -6.375 1.00 6.01 C ATOM 341 C THR A 22 4.237 3.848 -5.493 1.00 8.01 C ATOM 342 O THR A 22 3.720 2.783 -5.790 1.00 8.11 O ATOM 343 CB THR A 22 4.747 5.645 -7.029 1.00 8.92 C ATOM 344 OG1 THR A 22 3.774 5.267 -8.017 1.00 10.22 O ATOM 345 CG2 THR A 22 5.914 6.455 -7.551 1.00 9.65 C ATOM 0 H THR A 22 5.518 3.314 -8.120 1.00 5.37 H new ATOM 0 HA THR A 22 6.224 4.739 -5.806 1.00 6.01 H new ATOM 0 HB THR A 22 4.178 6.265 -6.336 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.395 6.072 -8.428 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.542 7.357 -8.038 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.564 6.733 -6.721 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.477 5.860 -8.270 1.00 9.65 H new ATOM 353 N ILE A 23 3.795 4.648 -4.435 1.00 8.32 N ATOM 354 CA ILE A 23 2.657 4.166 -3.666 1.00 9.92 C ATOM 355 C ILE A 23 1.400 3.880 -4.517 1.00 10.01 C ATOM 356 O ILE A 23 0.736 2.867 -4.486 1.00 8.71 O ATOM 357 CB ILE A 23 2.218 5.088 -2.495 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.429 5.626 -1.694 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.113 4.379 -1.659 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.408 4.622 -1.100 1.00 12.30 C ATOM 0 H ILE A 23 4.194 5.542 -4.147 1.00 8.32 H new ATOM 0 HA ILE A 23 3.052 3.236 -3.257 1.00 9.92 H new ATOM 0 HB ILE A 23 1.759 5.996 -2.884 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.992 6.291 -2.349 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.042 6.236 -0.877 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.806 5.027 -0.838 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.254 4.168 -2.296 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.504 3.444 -1.257 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.198 5.154 -0.571 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.882 3.968 -0.404 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.846 4.024 -1.899 1.00 12.30 H new ATOM 372 N GLU A 24 1.030 4.750 -5.459 1.00 9.54 N ATOM 373 CA GLU A 24 0.016 4.551 -6.474 1.00 11.81 C ATOM 374 C GLU A 24 0.085 3.250 -7.253 1.00 11.14 C ATOM 375 O GLU A 24 -0.877 2.494 -7.421 1.00 10.62 O ATOM 376 CB GLU A 24 0.090 5.756 -7.410 1.00 19.24 C ATOM 377 CG GLU A 24 -0.999 5.797 -8.485 1.00 27.76 C ATOM 378 CD GLU A 24 -1.013 7.077 -9.287 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.437 8.070 -8.615 1.00 36.51 O ATOM 380 OE2 GLU A 24 -0.782 7.048 -10.511 1.00 34.80 O ATOM 0 H GLU A 24 1.465 5.670 -5.530 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.942 4.468 -5.961 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.028 6.667 -6.814 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.064 5.761 -7.898 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.859 4.955 -9.163 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.971 5.666 -8.010 1.00 27.76 H new ATOM 387 N ASN A 25 1.296 2.864 -7.645 1.00 9.43 N ATOM 388 CA ASN A 25 1.619 1.629 -8.244 1.00 10.96 C ATOM 389 C ASN A 25 1.315 0.367 -7.374 1.00 9.68 C ATOM 390 O ASN A 25 0.738 -0.602 -7.902 1.00 9.33 O ATOM 391 CB ASN A 25 3.075 1.510 -8.732 1.00 16.78 C ATOM 392 CG ASN A 25 3.442 2.563 -9.734 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.612 3.007 -9.751 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.479 3.020 -10.601 1.00 24.70 N ATOM 0 H ASN A 25 2.112 3.465 -7.533 1.00 9.43 H new ATOM 0 HA ASN A 25 0.946 1.641 -9.101 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.747 1.580 -7.876 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.225 0.526 -9.175 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.709 3.742 -11.284 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.534 2.637 -10.562 1.00 24.70 H new ATOM 401 N VAL A 26 1.631 0.355 -6.091 1.00 6.52 N ATOM 402 CA VAL A 26 1.298 -0.757 -5.200 1.00 5.53 C ATOM 403 C VAL A 26 -0.200 -0.912 -5.134 1.00 4.42 C ATOM 404 O VAL A 26 -0.684 -2.029 -5.268 1.00 3.40 O ATOM 405 CB VAL A 26 1.860 -0.631 -3.809 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.718 -1.912 -2.930 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.382 -0.158 -3.877 1.00 8.12 C ATOM 0 H VAL A 26 2.128 1.117 -5.630 1.00 6.52 H new ATOM 0 HA VAL A 26 1.768 -1.642 -5.629 1.00 5.53 H new ATOM 0 HB VAL A 26 1.253 0.123 -3.309 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.150 -1.728 -1.946 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.663 -2.164 -2.822 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.242 -2.740 -3.407 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.781 -0.069 -2.867 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.966 -0.890 -4.435 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.440 0.809 -4.376 1.00 8.12 H new ATOM 417 N LYS A 27 -1.023 0.186 -5.084 1.00 2.64 N ATOM 418 CA LYS A 27 -2.469 0.210 -4.958 1.00 4.14 C ATOM 419 C LYS A 27 -3.215 -0.294 -6.165 1.00 5.58 C ATOM 420 O LYS A 27 -4.303 -0.893 -6.109 1.00 4.11 O ATOM 421 CB LYS A 27 -3.110 1.596 -4.431 1.00 3.97 C ATOM 422 CG LYS A 27 -2.454 2.066 -3.129 1.00 7.45 C ATOM 423 CD LYS A 27 -2.949 3.386 -2.605 1.00 9.02 C ATOM 424 CE LYS A 27 -2.645 4.613 -3.448 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.137 5.917 -2.885 1.00 15.47 N ATOM 0 H LYS A 27 -0.638 1.129 -5.137 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.617 -0.513 -4.156 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.993 2.364 -5.195 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.180 1.465 -4.272 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.615 1.306 -2.364 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.378 2.136 -3.287 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.030 3.319 -2.480 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.522 3.540 -1.614 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.566 4.680 -3.587 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.085 4.473 -4.435 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.625 6.704 -3.333 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.155 6.014 -3.073 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -2.971 5.937 -1.858 1.00 15.47 H new ATOM 439 N ALA A 28 -2.608 -0.063 -7.321 1.00 6.61 N ATOM 440 CA ALA A 28 -2.973 -0.733 -8.572 1.00 7.74 C ATOM 441 C ALA A 28 -2.800 -2.256 -8.586 1.00 9.17 C ATOM 442 O ALA A 28 -3.699 -3.028 -8.971 1.00 11.45 O ATOM 443 CB ALA A 28 -2.233 -0.105 -9.799 1.00 7.68 C ATOM 0 H ALA A 28 -1.840 0.601 -7.423 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.046 -0.560 -8.650 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.529 -0.628 -10.709 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.498 0.949 -9.883 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.156 -0.198 -9.661 1.00 7.68 H new ATOM 449 N LYS A 29 -1.620 -2.783 -8.052 1.00 8.96 N ATOM 450 CA LYS A 29 -1.319 -4.195 -7.891 1.00 7.90 C ATOM 451 C LYS A 29 -2.229 -4.942 -6.888 1.00 6.92 C ATOM 452 O LYS A 29 -2.582 -6.119 -7.060 1.00 6.87 O ATOM 453 CB LYS A 29 0.158 -4.372 -7.523 1.00 10.28 C ATOM 454 CG LYS A 29 0.823 -5.767 -7.736 1.00 14.94 C ATOM 455 CD LYS A 29 2.366 -5.672 -7.781 1.00 19.69 C ATOM 456 CE LYS A 29 2.870 -5.557 -9.260 1.00 22.63 C ATOM 457 NZ LYS A 29 4.339 -5.574 -9.071 1.00 24.98 N ATOM 0 H LYS A 29 -0.862 -2.183 -7.727 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.528 -4.658 -8.855 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.731 -3.642 -8.096 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.270 -4.110 -6.471 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.524 -6.438 -6.930 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.459 -6.204 -8.666 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.699 -4.806 -7.210 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.804 -6.552 -7.310 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.526 -6.387 -9.877 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.528 -4.640 -9.740 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.785 -6.077 -9.865 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.696 -4.598 -9.035 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.569 -6.060 -8.181 1.00 24.98 H new ATOM 471 N ILE A 30 -2.687 -4.234 -5.830 1.00 4.57 N ATOM 472 CA ILE A 30 -3.718 -4.709 -4.881 1.00 5.58 C ATOM 473 C ILE A 30 -5.098 -4.923 -5.555 1.00 7.26 C ATOM 474 O ILE A 30 -5.861 -5.857 -5.222 1.00 9.46 O ATOM 475 CB ILE A 30 -3.821 -3.600 -3.769 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.482 -3.629 -3.002 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.968 -4.039 -2.844 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.513 -2.799 -1.700 1.00 2.00 C ATOM 0 H ILE A 30 -2.343 -3.299 -5.609 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.435 -5.681 -4.476 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.007 -2.599 -4.158 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.230 -4.662 -2.762 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.691 -3.250 -3.649 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.092 -3.307 -2.046 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.892 -4.110 -3.418 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.734 -5.012 -2.411 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.543 -2.859 -1.207 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.736 -1.759 -1.937 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.283 -3.192 -1.036 1.00 2.00 H new ATOM 490 N GLN A 31 -5.533 -4.057 -6.495 1.00 7.06 N ATOM 491 CA GLN A 31 -6.876 -4.207 -7.133 1.00 8.67 C ATOM 492 C GLN A 31 -7.012 -5.489 -7.884 1.00 10.90 C ATOM 493 O GLN A 31 -8.095 -6.053 -7.747 1.00 9.63 O ATOM 494 CB GLN A 31 -7.126 -3.045 -8.162 1.00 9.12 C ATOM 495 CG GLN A 31 -8.498 -3.232 -8.943 1.00 10.76 C ATOM 496 CD GLN A 31 -8.918 -2.165 -9.903 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.100 -1.607 -10.661 1.00 14.48 O ATOM 498 NE2 GLN A 31 -10.254 -1.999 -10.169 1.00 14.76 N ATOM 0 H GLN A 31 -4.993 -3.259 -6.830 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.599 -4.185 -6.318 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -7.134 -2.090 -7.637 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.303 -3.009 -8.876 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.442 -4.171 -9.493 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.290 -3.343 -8.202 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.952 -2.441 -9.570 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -10.549 -1.434 -10.965 1.00 14.76 H new ATOM 507 N ASP A 32 -5.977 -5.867 -8.601 1.00 10.93 N ATOM 508 CA ASP A 32 -6.019 -7.063 -9.437 1.00 14.01 C ATOM 509 C ASP A 32 -6.154 -8.367 -8.627 1.00 14.04 C ATOM 510 O ASP A 32 -6.889 -9.319 -8.930 1.00 13.39 O ATOM 511 CB ASP A 32 -4.651 -7.149 -10.215 1.00 18.01 C ATOM 512 CG ASP A 32 -4.470 -5.931 -11.094 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.509 -5.368 -11.519 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.329 -5.551 -11.467 1.00 26.29 O ATOM 0 H ASP A 32 -5.089 -5.366 -8.627 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.889 -6.975 -10.087 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.826 -7.221 -9.507 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -4.627 -8.052 -10.824 1.00 18.01 H new ATOM 519 N LYS A 33 -5.475 -8.364 -7.424 1.00 14.22 N ATOM 520 CA LYS A 33 -5.582 -9.330 -6.377 1.00 14.00 C ATOM 521 C LYS A 33 -6.851 -9.405 -5.542 1.00 12.37 C ATOM 522 O LYS A 33 -7.470 -10.455 -5.415 1.00 12.17 O ATOM 523 CB LYS A 33 -4.376 -9.117 -5.452 1.00 18.62 C ATOM 524 CG LYS A 33 -4.271 -10.392 -4.583 1.00 24.00 C ATOM 525 CD LYS A 33 -3.077 -10.461 -3.620 1.00 27.61 C ATOM 526 CE LYS A 33 -1.710 -10.387 -4.315 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.661 -11.549 -5.249 1.00 30.06 N ATOM 0 H LYS A 33 -4.812 -7.624 -7.193 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.615 -10.286 -6.900 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.464 -8.963 -6.029 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.513 -8.232 -4.831 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -5.187 -10.485 -4.000 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.226 -11.256 -5.246 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.154 -9.643 -2.903 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.135 -11.389 -3.052 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.597 -9.447 -4.855 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.899 -10.436 -3.588 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.680 -11.704 -5.559 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.009 -12.400 -4.763 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.259 -11.354 -6.077 1.00 30.06 H new ATOM 541 N GLU A 34 -7.334 -8.255 -5.018 1.00 10.11 N ATOM 542 CA GLU A 34 -8.368 -8.296 -3.946 1.00 10.07 C ATOM 543 C GLU A 34 -9.626 -7.546 -4.339 1.00 9.32 C ATOM 544 O GLU A 34 -10.585 -7.511 -3.593 1.00 11.61 O ATOM 545 CB GLU A 34 -7.788 -7.691 -2.599 1.00 14.77 C ATOM 546 CG GLU A 34 -6.788 -8.522 -1.782 1.00 18.75 C ATOM 547 CD GLU A 34 -7.407 -9.610 -0.987 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.127 -9.262 -0.043 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.176 -10.811 -1.205 1.00 21.95 O ATOM 0 H GLU A 34 -7.042 -7.320 -5.302 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.634 -9.342 -3.796 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.307 -6.744 -2.843 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.633 -7.461 -1.950 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.054 -8.956 -2.461 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.246 -7.858 -1.108 1.00 18.75 H new ATOM 556 N GLY A 35 -9.630 -6.906 -5.564 1.00 7.22 N ATOM 557 CA GLY A 35 -10.906 -6.399 -6.104 1.00 6.29 C ATOM 558 C GLY A 35 -11.164 -4.995 -5.574 1.00 6.93 C ATOM 559 O GLY A 35 -12.268 -4.462 -5.870 1.00 7.41 O ATOM 0 H GLY A 35 -8.809 -6.746 -6.148 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.872 -6.387 -7.193 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.722 -7.062 -5.818 1.00 6.29 H new ATOM 563 N ILE A 36 -10.179 -4.358 -4.924 1.00 5.86 N ATOM 564 CA ILE A 36 -10.398 -3.065 -4.351 1.00 6.07 C ATOM 565 C ILE A 36 -10.066 -1.915 -5.328 1.00 6.36 C ATOM 566 O ILE A 36 -8.936 -1.846 -5.766 1.00 6.18 O ATOM 567 CB ILE A 36 -9.690 -2.959 -2.984 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.970 -4.180 -2.011 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.322 -1.613 -2.369 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.082 -4.332 -0.765 1.00 9.49 C ATOM 0 H ILE A 36 -9.239 -4.731 -4.794 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.465 -2.948 -4.161 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.606 -2.957 -3.100 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.005 -4.109 -1.676 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.886 -5.097 -2.594 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.893 -1.426 -1.385 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.100 -0.773 -3.027 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.402 -1.727 -2.278 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.395 -5.210 -0.200 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.042 -4.448 -1.071 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.179 -3.445 -0.139 1.00 9.49 H new ATOM 582 N PRO A 37 -10.980 -0.960 -5.634 1.00 8.65 N ATOM 583 CA PRO A 37 -10.646 0.242 -6.402 1.00 9.18 C ATOM 584 C PRO A 37 -9.415 1.045 -5.977 1.00 9.85 C ATOM 585 O PRO A 37 -9.409 1.407 -4.796 1.00 8.51 O ATOM 586 CB PRO A 37 -11.957 1.085 -6.269 1.00 11.42 C ATOM 587 CG PRO A 37 -13.100 0.022 -6.205 1.00 9.27 C ATOM 588 CD PRO A 37 -12.451 -1.018 -5.324 1.00 8.33 C ATOM 0 HA PRO A 37 -10.348 -0.035 -7.413 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.941 1.705 -5.373 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -12.086 1.756 -7.119 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -14.016 0.422 -5.770 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.359 -0.370 -7.189 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.637 -0.809 -4.271 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.855 -2.010 -5.528 1.00 8.33 H new ATOM 596 N PRO A 38 -8.310 1.361 -6.703 1.00 8.71 N ATOM 597 CA PRO A 38 -7.159 2.142 -6.305 1.00 9.08 C ATOM 598 C PRO A 38 -7.452 3.511 -5.723 1.00 9.28 C ATOM 599 O PRO A 38 -6.515 4.086 -5.150 1.00 6.50 O ATOM 600 CB PRO A 38 -6.267 2.142 -7.542 1.00 10.31 C ATOM 601 CG PRO A 38 -6.602 0.833 -8.215 1.00 10.81 C ATOM 602 CD PRO A 38 -8.158 0.761 -8.034 1.00 12.00 C ATOM 0 HA PRO A 38 -6.663 1.696 -5.443 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.479 2.993 -8.190 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.211 2.199 -7.276 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.313 0.829 -9.266 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.097 -0.010 -7.742 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.690 1.322 -8.803 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.531 -0.263 -8.071 1.00 12.00 H new ATOM 610 N ASP A 39 -8.631 4.154 -5.850 1.00 11.20 N ATOM 611 CA ASP A 39 -8.922 5.471 -5.186 1.00 14.96 C ATOM 612 C ASP A 39 -9.443 5.208 -3.758 1.00 13.99 C ATOM 613 O ASP A 39 -9.605 6.105 -2.921 1.00 13.75 O ATOM 614 CB ASP A 39 -9.917 6.299 -6.030 1.00 24.16 C ATOM 615 CG ASP A 39 -9.394 6.810 -7.349 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.343 7.458 -7.323 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.946 6.402 -8.365 1.00 35.55 O ATOM 0 H ASP A 39 -9.407 3.793 -6.404 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.009 6.062 -5.114 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.798 5.687 -6.223 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.246 7.152 -5.436 1.00 24.16 H new ATOM 622 N GLN A 40 -9.693 3.939 -3.405 1.00 11.60 N ATOM 623 CA GLN A 40 -10.351 3.626 -2.115 1.00 10.76 C ATOM 624 C GLN A 40 -9.334 3.203 -1.103 1.00 8.01 C ATOM 625 O GLN A 40 -9.456 3.412 0.126 1.00 8.96 O ATOM 626 CB GLN A 40 -11.503 2.610 -2.463 1.00 11.14 C ATOM 627 CG GLN A 40 -12.561 2.347 -1.352 1.00 14.85 C ATOM 628 CD GLN A 40 -13.407 1.105 -1.772 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.121 -0.062 -1.367 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.450 1.304 -2.615 1.00 18.16 N ATOM 0 H GLN A 40 -9.459 3.126 -3.974 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.818 4.478 -1.621 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.023 2.975 -3.349 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.047 1.657 -2.731 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.071 2.168 -0.395 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.203 3.219 -1.223 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.674 2.246 -2.936 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.011 0.512 -2.928 1.00 18.16 H new ATOM 639 N GLN A 41 -8.182 2.702 -1.606 1.00 6.52 N ATOM 640 CA GLN A 41 -7.083 2.260 -0.739 1.00 3.87 C ATOM 641 C GLN A 41 -6.133 3.326 -0.132 1.00 4.79 C ATOM 642 O GLN A 41 -5.626 4.290 -0.724 1.00 6.34 O ATOM 643 CB GLN A 41 -6.198 1.331 -1.545 1.00 4.20 C ATOM 644 CG GLN A 41 -6.914 0.165 -2.182 1.00 3.20 C ATOM 645 CD GLN A 41 -6.053 -0.552 -3.261 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.871 -0.609 -3.009 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.591 -1.027 -4.419 1.00 7.13 N ATOM 0 H GLN A 41 -7.997 2.597 -2.604 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.604 1.823 0.113 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.707 1.909 -2.328 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.413 0.945 -0.894 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.191 -0.552 -1.409 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.840 0.517 -2.637 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.595 -0.954 -4.582 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.990 -1.455 -5.123 1.00 7.13 H new ATOM 656 N ARG A 42 -5.741 3.023 1.137 1.00 5.73 N ATOM 657 CA ARG A 42 -4.717 3.793 1.776 1.00 6.97 C ATOM 658 C ARG A 42 -3.775 2.856 2.593 1.00 7.15 C ATOM 659 O ARG A 42 -4.118 1.729 2.979 1.00 7.33 O ATOM 660 CB ARG A 42 -5.192 4.928 2.683 1.00 13.23 C ATOM 661 CG ARG A 42 -5.974 5.983 1.831 1.00 21.27 C ATOM 662 CD ARG A 42 -6.365 7.192 2.626 1.00 26.14 C ATOM 663 NE ARG A 42 -6.918 8.196 1.676 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.307 9.446 2.099 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.418 9.815 3.383 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.404 10.459 1.196 1.00 36.39 N ATOM 0 H ARG A 42 -6.127 2.264 1.699 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.198 4.280 0.951 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -5.833 4.534 3.471 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.339 5.399 3.171 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.357 6.292 0.987 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.870 5.519 1.418 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.106 6.930 3.381 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.502 7.599 3.154 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.010 7.952 0.690 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.207 9.148 4.125 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.713 10.763 3.618 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.189 10.289 0.214 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.692 11.389 1.501 1.00 36.39 H new ATOM 680 N LEU A 43 -2.518 3.336 2.743 1.00 4.65 N ATOM 681 CA LEU A 43 -1.560 2.485 3.407 1.00 3.51 C ATOM 682 C LEU A 43 -0.819 3.261 4.507 1.00 5.56 C ATOM 683 O LEU A 43 -0.264 4.410 4.272 1.00 4.19 O ATOM 684 CB LEU A 43 -0.496 1.931 2.400 1.00 3.74 C ATOM 685 CG LEU A 43 -1.011 1.039 1.302 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.095 0.656 0.306 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.564 -0.268 1.891 1.00 6.41 C ATOM 0 H LEU A 43 -2.179 4.246 2.431 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.118 1.655 3.841 1.00 3.51 H new ATOM 0 HB2 LEU A 43 0.013 2.779 1.941 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.254 1.378 2.966 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.789 1.602 0.787 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.320 0.012 -0.469 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.501 1.558 -0.151 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.890 0.126 0.831 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.933 -0.903 1.085 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.772 -0.788 2.429 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.380 -0.041 2.577 1.00 6.41 H new ATOM 699 N ILE A 44 -0.699 2.635 5.718 1.00 4.58 N ATOM 700 CA ILE A 44 -0.028 3.174 6.851 1.00 5.55 C ATOM 701 C ILE A 44 1.225 2.340 7.092 1.00 5.46 C ATOM 702 O ILE A 44 1.252 1.107 7.005 1.00 6.04 O ATOM 703 CB ILE A 44 -0.937 3.289 8.134 1.00 6.80 C ATOM 704 CG1 ILE A 44 -1.783 4.550 8.192 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.046 3.259 9.416 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.910 4.518 7.104 1.00 13.90 C ATOM 0 H ILE A 44 -1.095 1.712 5.895 1.00 4.58 H new ATOM 0 HA ILE A 44 0.246 4.207 6.638 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.617 2.439 8.082 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.230 4.648 9.181 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.150 5.424 8.040 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.678 3.339 10.300 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.510 2.322 9.451 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.653 4.095 9.393 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.502 5.431 7.166 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.459 4.445 6.115 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.555 3.656 7.273 1.00 13.90 H new ATOM 718 N PHE A 45 2.343 3.075 7.338 1.00 6.75 N ATOM 719 CA PHE A 45 3.624 2.392 7.586 1.00 4.70 C ATOM 720 C PHE A 45 4.433 3.371 8.436 1.00 6.34 C ATOM 721 O PHE A 45 4.364 4.591 8.149 1.00 5.45 O ATOM 722 CB PHE A 45 4.420 2.222 6.212 1.00 5.51 C ATOM 723 CG PHE A 45 5.890 1.810 6.342 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.302 0.579 6.806 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.847 2.835 6.190 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.652 0.215 6.933 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.226 2.528 6.360 1.00 6.64 C ATOM 728 CZ PHE A 45 8.625 1.191 6.557 1.00 6.84 C ATOM 0 H PHE A 45 2.378 4.094 7.368 1.00 6.75 H new ATOM 0 HA PHE A 45 3.470 1.417 8.048 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.905 1.477 5.605 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.373 3.165 5.667 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.548 -0.142 7.086 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.537 3.841 5.948 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.942 -0.759 7.299 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.964 3.316 6.338 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.658 0.906 6.425 1.00 6.84 H new ATOM 738 N ALA A 46 5.104 2.854 9.422 1.00 6.53 N ATOM 739 CA ALA A 46 6.103 3.624 10.219 1.00 7.15 C ATOM 740 C ALA A 46 5.676 4.946 10.752 1.00 9.00 C ATOM 741 O ALA A 46 6.307 6.035 10.728 1.00 11.15 O ATOM 742 CB ALA A 46 7.439 3.707 9.466 1.00 8.99 C ATOM 0 H ALA A 46 4.997 1.885 9.723 1.00 6.53 H new ATOM 0 HA ALA A 46 6.222 3.040 11.132 1.00 7.15 H new ATOM 0 HB1 ALA A 46 8.157 4.272 10.060 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.822 2.701 9.293 1.00 8.99 H new ATOM 0 HB3 ALA A 46 7.287 4.207 8.509 1.00 8.99 H new ATOM 748 N GLY A 47 4.483 4.985 11.410 1.00 9.35 N ATOM 749 CA GLY A 47 3.937 6.150 12.000 1.00 11.68 C ATOM 750 C GLY A 47 3.100 6.938 11.035 1.00 11.14 C ATOM 751 O GLY A 47 2.592 7.945 11.473 1.00 13.93 O ATOM 0 H GLY A 47 3.891 4.162 11.524 1.00 9.35 H new ATOM 0 HA2 GLY A 47 3.329 5.868 12.859 1.00 11.68 H new ATOM 0 HA3 GLY A 47 4.745 6.778 12.374 1.00 11.68 H new ATOM 755 N LYS A 48 2.946 6.650 9.693 1.00 10.47 N ATOM 756 CA LYS A 48 2.365 7.651 8.866 1.00 8.82 C ATOM 757 C LYS A 48 1.726 6.985 7.613 1.00 7.68 C ATOM 758 O LYS A 48 1.853 5.777 7.321 1.00 6.47 O ATOM 759 CB LYS A 48 3.423 8.649 8.415 1.00 9.74 C ATOM 760 CG LYS A 48 4.557 7.951 7.668 1.00 14.14 C ATOM 761 CD LYS A 48 5.963 8.279 8.286 1.00 16.32 C ATOM 762 CE LYS A 48 7.095 7.548 7.564 1.00 20.04 C ATOM 763 NZ LYS A 48 8.454 7.979 8.085 1.00 23.92 N ATOM 0 H LYS A 48 3.211 5.780 9.232 1.00 10.47 H new ATOM 0 HA LYS A 48 1.601 8.176 9.439 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.967 9.400 7.770 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.824 9.175 9.282 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.395 6.873 7.689 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.542 8.255 6.621 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.138 9.354 8.238 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.968 8.002 9.340 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.978 6.472 7.696 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.034 7.747 6.494 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.200 7.465 7.575 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.574 9.001 7.937 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.520 7.766 9.101 1.00 23.92 H new ATOM 777 N GLN A 49 0.883 7.781 6.921 1.00 8.89 N ATOM 778 CA GLN A 49 0.275 7.367 5.723 1.00 7.18 C ATOM 779 C GLN A 49 1.196 7.589 4.539 1.00 8.23 C ATOM 780 O GLN A 49 1.758 8.655 4.410 1.00 9.70 O ATOM 781 CB GLN A 49 -1.059 8.153 5.432 1.00 11.67 C ATOM 782 CG GLN A 49 -2.004 8.098 6.693 1.00 15.82 C ATOM 783 CD GLN A 49 -3.099 9.220 6.489 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.122 9.042 5.786 1.00 23.23 O ATOM 785 NE2 GLN A 49 -2.862 10.430 7.103 1.00 20.67 N ATOM 0 H GLN A 49 0.630 8.725 7.212 1.00 8.89 H new ATOM 0 HA GLN A 49 0.057 6.307 5.851 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.833 9.190 5.182 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.565 7.720 4.569 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.468 7.116 6.786 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.438 8.271 7.608 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.025 10.558 7.672 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.524 11.198 6.989 1.00 20.67 H new ATOM 794 N LEU A 50 1.326 6.625 3.652 1.00 6.51 N ATOM 795 CA LEU A 50 2.175 6.664 2.478 1.00 7.41 C ATOM 796 C LEU A 50 1.411 7.346 1.312 1.00 8.27 C ATOM 797 O LEU A 50 0.251 7.074 1.041 1.00 8.34 O ATOM 798 CB LEU A 50 2.328 5.138 2.144 1.00 7.13 C ATOM 799 CG LEU A 50 3.113 4.366 3.231 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.006 2.823 3.144 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.626 4.731 3.088 1.00 9.11 C ATOM 0 H LEU A 50 0.815 5.746 3.734 1.00 6.51 H new ATOM 0 HA LEU A 50 3.113 7.199 2.625 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.339 4.694 2.031 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.838 5.029 1.187 1.00 7.13 H new ATOM 0 HG LEU A 50 2.674 4.661 4.184 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.589 2.372 3.947 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.962 2.525 3.242 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.391 2.485 2.182 1.00 8.14 H new ATOM 0 HD21 LEU A 50 5.202 4.198 3.845 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.977 4.445 2.097 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.756 5.805 3.223 1.00 9.11 H new ATOM 813 N GLU A 51 2.063 8.320 0.637 1.00 9.43 N ATOM 814 CA GLU A 51 1.357 9.247 -0.237 1.00 11.90 C ATOM 815 C GLU A 51 1.691 8.846 -1.725 1.00 11.49 C ATOM 816 O GLU A 51 2.774 8.467 -2.043 1.00 9.88 O ATOM 817 CB GLU A 51 1.798 10.693 0.145 1.00 16.56 C ATOM 818 CG GLU A 51 1.209 11.842 -0.730 1.00 26.06 C ATOM 819 CD GLU A 51 1.973 13.122 -0.392 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.696 13.624 0.728 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.751 13.656 -1.179 1.00 32.13 O ATOM 0 H GLU A 51 3.070 8.473 0.689 1.00 9.43 H new ATOM 0 HA GLU A 51 0.273 9.206 -0.128 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.519 10.874 1.183 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.886 10.745 0.094 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.309 11.606 -1.789 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.145 11.968 -0.530 1.00 26.06 H new ATOM 828 N ASP A 52 0.706 9.006 -2.581 1.00 12.71 N ATOM 829 CA ASP A 52 0.569 8.597 -3.995 1.00 16.56 C ATOM 830 C ASP A 52 1.772 8.875 -4.878 1.00 15.83 C ATOM 831 O ASP A 52 2.291 7.965 -5.521 1.00 17.21 O ATOM 832 CB ASP A 52 -0.627 9.488 -4.387 1.00 21.05 C ATOM 833 CG ASP A 52 -1.889 9.077 -3.675 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.609 8.174 -4.198 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.098 9.620 -2.577 1.00 25.82 O ATOM 0 H ASP A 52 -0.139 9.489 -2.277 1.00 12.71 H new ATOM 0 HA ASP A 52 0.455 7.520 -4.120 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.399 10.527 -4.151 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.783 9.433 -5.464 1.00 21.05 H new ATOM 840 N GLY A 53 2.263 10.129 -4.918 1.00 15.00 N ATOM 841 CA GLY A 53 3.328 10.659 -5.743 1.00 11.77 C ATOM 842 C GLY A 53 4.706 10.241 -5.337 1.00 11.10 C ATOM 843 O GLY A 53 5.702 10.660 -5.922 1.00 11.25 O ATOM 0 H GLY A 53 1.877 10.852 -4.311 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.159 10.348 -6.774 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.274 11.748 -5.726 1.00 11.77 H new ATOM 847 N ARG A 54 4.907 9.326 -4.394 1.00 8.53 N ATOM 848 CA ARG A 54 6.179 9.122 -3.691 1.00 9.05 C ATOM 849 C ARG A 54 6.637 7.660 -3.900 1.00 8.96 C ATOM 850 O ARG A 54 5.846 6.820 -4.259 1.00 11.60 O ATOM 851 CB ARG A 54 5.949 9.410 -2.195 1.00 7.97 C ATOM 852 CG ARG A 54 5.500 10.874 -1.972 1.00 9.62 C ATOM 853 CD ARG A 54 5.865 11.361 -0.518 1.00 12.20 C ATOM 854 NE ARG A 54 4.966 12.434 0.020 1.00 18.23 N ATOM 855 CZ ARG A 54 4.990 12.804 1.322 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.913 12.375 2.214 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.183 13.762 1.772 1.00 23.38 N ATOM 0 H ARG A 54 4.174 8.687 -4.086 1.00 8.53 H new ATOM 0 HA ARG A 54 6.952 9.788 -4.074 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.192 8.731 -1.803 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.867 9.219 -1.639 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.979 11.521 -2.707 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.424 10.956 -2.128 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.834 10.506 0.157 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.891 11.730 -0.518 1.00 12.20 H new ATOM 0 HE ARG A 54 4.317 12.899 -0.614 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.648 11.733 1.918 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.873 12.694 3.182 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.537 14.226 1.134 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.211 14.032 2.755 1.00 23.38 H new ATOM 871 N THR A 55 7.919 7.380 -3.782 1.00 9.05 N ATOM 872 CA THR A 55 8.415 6.029 -4.055 1.00 9.03 C ATOM 873 C THR A 55 8.579 5.217 -2.794 1.00 8.15 C ATOM 874 O THR A 55 8.694 5.783 -1.696 1.00 5.91 O ATOM 875 CB THR A 55 9.709 5.918 -4.822 1.00 11.15 C ATOM 876 OG1 THR A 55 10.780 6.645 -4.213 1.00 11.95 O ATOM 877 CG2 THR A 55 9.661 6.471 -6.255 1.00 11.71 C ATOM 0 H THR A 55 8.634 8.052 -3.504 1.00 9.05 H new ATOM 0 HA THR A 55 7.627 5.639 -4.699 1.00 9.03 H new ATOM 0 HB THR A 55 9.870 4.840 -4.824 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.577 6.077 -4.169 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.636 6.347 -6.726 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.909 5.929 -6.829 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.403 7.530 -6.228 1.00 11.71 H new ATOM 885 N LEU A 56 8.605 3.903 -2.826 1.00 6.91 N ATOM 886 CA LEU A 56 9.008 3.046 -1.715 1.00 8.29 C ATOM 887 C LEU A 56 10.404 3.380 -1.184 1.00 8.05 C ATOM 888 O LEU A 56 10.637 3.388 0.057 1.00 10.17 O ATOM 889 CB LEU A 56 8.813 1.530 -1.991 1.00 6.60 C ATOM 890 CG LEU A 56 7.422 0.901 -1.918 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.503 1.683 -2.787 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.306 -0.581 -2.357 1.00 8.64 C ATOM 0 H LEU A 56 8.337 3.374 -3.656 1.00 6.91 H new ATOM 0 HA LEU A 56 8.312 3.279 -0.909 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.204 1.332 -2.989 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.447 0.991 -1.288 1.00 6.60 H new ATOM 0 HG LEU A 56 7.170 0.923 -0.858 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.505 1.247 -2.746 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.463 2.715 -2.438 1.00 9.85 H new ATOM 0 HD13 LEU A 56 6.867 1.661 -3.814 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.271 -0.909 -2.259 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.621 -0.678 -3.396 1.00 8.64 H new ATOM 0 HD23 LEU A 56 7.944 -1.199 -1.725 1.00 8.64 H new ATOM 904 N SER A 57 11.362 3.667 -2.054 1.00 8.92 N ATOM 905 CA SER A 57 12.738 4.084 -1.724 1.00 9.00 C ATOM 906 C SER A 57 12.752 5.367 -0.968 1.00 9.44 C ATOM 907 O SER A 57 13.566 5.492 -0.044 1.00 10.91 O ATOM 908 CB SER A 57 13.614 4.218 -3.002 1.00 10.32 C ATOM 909 OG SER A 57 13.035 5.163 -3.950 1.00 13.59 O ATOM 0 H SER A 57 11.204 3.616 -3.060 1.00 8.92 H new ATOM 0 HA SER A 57 13.161 3.303 -1.092 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.616 4.546 -2.725 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.718 3.242 -3.477 1.00 10.32 H new ATOM 0 HG SER A 57 13.610 5.226 -4.741 1.00 13.59 H new ATOM 915 N ASP A 58 11.835 6.325 -1.293 1.00 9.11 N ATOM 916 CA ASP A 58 11.713 7.547 -0.531 1.00 7.91 C ATOM 917 C ASP A 58 11.299 7.351 0.909 1.00 9.12 C ATOM 918 O ASP A 58 11.693 8.002 1.831 1.00 8.61 O ATOM 919 CB ASP A 58 10.629 8.405 -1.335 1.00 8.41 C ATOM 920 CG ASP A 58 10.724 9.793 -0.850 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.810 10.353 -0.514 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.632 10.401 -0.867 1.00 10.05 O ATOM 0 H ASP A 58 11.186 6.250 -2.077 1.00 9.11 H new ATOM 0 HA ASP A 58 12.683 8.037 -0.445 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.820 8.358 -2.407 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.627 8.008 -1.172 1.00 8.41 H new ATOM 927 N TYR A 59 10.327 6.393 1.176 1.00 7.97 N ATOM 928 CA TYR A 59 9.946 6.108 2.497 1.00 8.45 C ATOM 929 C TYR A 59 10.966 5.214 3.186 1.00 10.98 C ATOM 930 O TYR A 59 10.992 5.257 4.413 1.00 12.95 O ATOM 931 CB TYR A 59 8.532 5.457 2.456 1.00 7.94 C ATOM 932 CG TYR A 59 7.490 6.575 2.300 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.215 7.354 3.428 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.800 6.822 1.126 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.201 8.342 3.374 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.846 7.851 0.987 1.00 6.52 C ATOM 937 CZ TYR A 59 5.472 8.541 2.214 1.00 6.76 C ATOM 938 OH TYR A 59 4.455 9.502 2.088 1.00 7.63 O ATOM 0 H TYR A 59 9.840 5.850 0.463 1.00 7.97 H new ATOM 0 HA TYR A 59 9.907 7.025 3.085 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.462 4.754 1.626 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.348 4.891 3.369 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.775 7.203 4.339 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.003 6.194 0.271 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.995 8.945 4.246 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.419 8.111 0.030 1.00 6.52 H new ATOM 0 HH TYR A 59 4.513 10.139 2.831 1.00 7.63 H new ATOM 948 N ASN A 60 11.800 4.525 2.455 1.00 12.38 N ATOM 949 CA ASN A 60 12.688 3.582 2.937 1.00 13.94 C ATOM 950 C ASN A 60 12.037 2.253 3.350 1.00 14.16 C ATOM 951 O ASN A 60 12.403 1.650 4.377 1.00 14.26 O ATOM 952 CB ASN A 60 13.704 4.095 4.026 1.00 19.23 C ATOM 953 CG ASN A 60 14.765 4.978 3.440 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.876 4.608 3.049 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.501 6.314 3.412 1.00 24.09 N ATOM 0 H ASN A 60 11.856 4.639 1.443 1.00 12.38 H new ATOM 0 HA ASN A 60 13.295 3.376 2.056 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.162 4.644 4.796 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.173 3.241 4.514 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.209 6.967 3.077 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.595 6.662 3.726 1.00 24.09 H new ATOM 962 N ILE A 61 11.114 1.692 2.539 1.00 11.08 N ATOM 963 CA ILE A 61 10.551 0.440 2.886 1.00 11.78 C ATOM 964 C ILE A 61 11.468 -0.693 2.502 1.00 13.74 C ATOM 965 O ILE A 61 11.986 -0.715 1.380 1.00 14.60 O ATOM 966 CB ILE A 61 9.192 0.349 2.165 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.215 1.579 2.529 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.516 -0.953 2.661 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.929 1.659 1.707 1.00 11.42 C ATOM 0 H ILE A 61 10.772 2.100 1.669 1.00 11.08 H new ATOM 0 HA ILE A 61 10.413 0.358 3.964 1.00 11.78 H new ATOM 0 HB ILE A 61 9.363 0.369 1.089 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.948 1.510 3.584 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.767 2.510 2.400 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.545 -1.066 2.178 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.146 -1.807 2.413 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.380 -0.904 3.741 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.344 2.520 2.030 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.178 1.765 0.651 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.347 0.749 1.853 1.00 11.42 H new ATOM 981 N GLN A 62 11.620 -1.710 3.416 1.00 13.97 N ATOM 982 CA GLN A 62 12.636 -2.741 3.404 1.00 15.52 C ATOM 983 C GLN A 62 11.826 -4.046 3.168 1.00 13.94 C ATOM 984 O GLN A 62 10.626 -4.050 3.482 1.00 12.15 O ATOM 985 CB GLN A 62 13.418 -2.756 4.757 1.00 19.53 C ATOM 986 CG GLN A 62 14.184 -1.396 4.987 1.00 26.38 C ATOM 987 CD GLN A 62 15.183 -1.103 3.846 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.032 -0.068 3.166 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.189 -1.954 3.548 1.00 32.71 N ATOM 0 H GLN A 62 10.987 -1.808 4.210 1.00 13.97 H new ATOM 0 HA GLN A 62 13.400 -2.596 2.640 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.724 -2.929 5.579 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.129 -3.582 4.760 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.464 -0.581 5.059 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.717 -1.435 5.937 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.319 -2.802 4.099 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.818 -1.748 2.772 1.00 32.71 H new ATOM 998 N LYS A 63 12.446 -5.093 2.634 1.00 11.73 N ATOM 999 CA LYS A 63 11.916 -6.426 2.338 1.00 11.97 C ATOM 1000 C LYS A 63 11.134 -7.049 3.480 1.00 10.41 C ATOM 1001 O LYS A 63 11.579 -7.234 4.571 1.00 9.59 O ATOM 1002 CB LYS A 63 13.038 -7.312 1.717 1.00 13.73 C ATOM 1003 CG LYS A 63 14.222 -7.712 2.680 1.00 16.98 C ATOM 1004 CD LYS A 63 15.279 -8.541 1.947 1.00 20.19 C ATOM 1005 CE LYS A 63 16.611 -8.690 2.701 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.380 -9.379 4.018 1.00 25.97 N ATOM 0 H LYS A 63 13.429 -5.026 2.371 1.00 11.73 H new ATOM 0 HA LYS A 63 11.141 -6.332 1.577 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.582 -8.226 1.337 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.457 -6.784 0.860 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.682 -6.812 3.088 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.831 -8.281 3.524 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.873 -9.534 1.753 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.474 -8.082 0.978 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.317 -9.263 2.100 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.056 -7.709 2.867 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.292 -9.537 4.492 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.776 -8.784 4.620 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.912 -10.293 3.854 1.00 25.97 H new ATOM 1020 N GLU A 64 9.901 -7.353 3.164 1.00 10.04 N ATOM 1021 CA GLU A 64 8.994 -8.079 4.072 1.00 10.94 C ATOM 1022 C GLU A 64 8.394 -7.110 5.112 1.00 9.74 C ATOM 1023 O GLU A 64 7.862 -7.423 6.178 1.00 9.42 O ATOM 1024 CB GLU A 64 9.472 -9.429 4.631 1.00 18.31 C ATOM 1025 CG GLU A 64 9.859 -10.482 3.568 1.00 24.16 C ATOM 1026 CD GLU A 64 10.911 -11.470 4.106 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.669 -12.136 5.180 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.912 -11.609 3.465 1.00 31.72 O ATOM 0 H GLU A 64 9.478 -7.111 2.268 1.00 10.04 H new ATOM 0 HA GLU A 64 8.186 -8.443 3.437 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.334 -9.253 5.275 1.00 18.31 H new ATOM 0 HB3 GLU A 64 8.684 -9.843 5.259 1.00 18.31 H new ATOM 0 HG2 GLU A 64 8.970 -11.030 3.257 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.250 -9.980 2.683 1.00 24.16 H new ATOM 1035 N SER A 65 8.473 -5.772 4.804 1.00 6.85 N ATOM 1036 CA SER A 65 7.794 -4.734 5.585 1.00 6.90 C ATOM 1037 C SER A 65 6.278 -4.885 5.558 1.00 4.72 C ATOM 1038 O SER A 65 5.670 -5.292 4.590 1.00 3.91 O ATOM 1039 CB SER A 65 8.104 -3.261 5.231 1.00 7.28 C ATOM 1040 OG SER A 65 9.472 -3.013 5.572 1.00 10.56 O ATOM 0 H SER A 65 9.007 -5.410 4.014 1.00 6.85 H new ATOM 0 HA SER A 65 8.214 -4.918 6.574 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.935 -3.078 4.170 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.445 -2.588 5.779 1.00 7.28 H new ATOM 0 HG SER A 65 10.054 -3.567 5.011 1.00 10.56 H new ATOM 1046 N THR A 66 5.657 -4.556 6.699 1.00 4.48 N ATOM 1047 CA THR A 66 4.262 -4.848 6.957 1.00 3.80 C ATOM 1048 C THR A 66 3.621 -3.453 6.800 1.00 4.60 C ATOM 1049 O THR A 66 3.966 -2.509 7.525 1.00 5.33 O ATOM 1050 CB THR A 66 3.868 -5.405 8.310 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.568 -6.666 8.557 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.393 -5.724 8.252 1.00 3.40 C ATOM 0 H THR A 66 6.123 -4.076 7.469 1.00 4.48 H new ATOM 0 HA THR A 66 3.949 -5.651 6.290 1.00 3.80 H new ATOM 0 HB THR A 66 4.112 -4.684 9.090 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.309 -7.018 9.434 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.070 -6.129 9.211 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.832 -4.815 8.035 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.210 -6.459 7.468 1.00 3.40 H new ATOM 1060 N LEU A 67 2.712 -3.292 5.850 1.00 4.17 N ATOM 1061 CA LEU A 67 1.942 -2.108 5.578 1.00 3.85 C ATOM 1062 C LEU A 67 0.490 -2.304 5.968 1.00 3.80 C ATOM 1063 O LEU A 67 -0.127 -3.388 5.755 1.00 5.54 O ATOM 1064 CB LEU A 67 2.024 -1.621 4.071 1.00 7.18 C ATOM 1065 CG LEU A 67 3.342 -1.812 3.327 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.241 -1.400 1.881 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.567 -1.082 3.984 1.00 11.66 C ATOM 0 H LEU A 67 2.483 -4.049 5.206 1.00 4.17 H new ATOM 0 HA LEU A 67 2.391 -1.325 6.189 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.246 -2.139 3.510 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.779 -0.559 4.050 1.00 7.18 H new ATOM 0 HG LEU A 67 3.529 -2.884 3.393 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.203 -1.553 1.391 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.480 -2.002 1.384 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.967 -0.347 1.821 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.463 -1.270 3.392 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.375 -0.010 4.021 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.715 -1.459 4.996 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.115 -1.344 6.654 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.485 -1.456 7.067 1.00 4.17 C ATOM 1081 C HIS A 68 -2.505 -0.857 6.013 1.00 5.32 C ATOM 1082 O HIS A 68 -2.381 0.284 5.642 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.651 -0.699 8.341 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.910 -1.314 9.500 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.460 -1.333 9.585 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.386 -2.072 10.546 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.754 -2.100 10.634 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.290 -2.562 11.231 1.00 16.30 N ATOM 0 H HIS A 68 0.338 -0.474 6.933 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.705 -2.518 7.176 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.301 0.323 8.196 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.712 -0.642 8.586 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.424 -2.251 10.787 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.764 -2.313 10.951 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.305 -3.171 12.049 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.488 -1.708 5.545 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.440 -1.376 4.482 1.00 3.97 C ATOM 1098 C LEU A 69 -5.655 -0.754 5.076 1.00 5.07 C ATOM 1099 O LEU A 69 -6.383 -1.388 5.887 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.863 -2.604 3.606 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.879 -2.311 2.446 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.182 -1.673 1.275 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.528 -3.645 2.055 1.00 9.96 C ATOM 0 H LEU A 69 -3.620 -2.648 5.918 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.927 -0.680 3.818 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.964 -3.041 3.172 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.299 -3.358 4.261 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.644 -1.607 2.773 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.905 -1.479 0.483 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.728 -0.734 1.590 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.408 -2.344 0.903 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.242 -3.479 1.249 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.758 -4.340 1.720 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.045 -4.065 2.918 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.019 0.474 4.602 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.234 1.126 4.935 1.00 6.26 C ATOM 1117 C VAL A 70 -8.106 1.279 3.689 1.00 9.22 C ATOM 1118 O VAL A 70 -7.705 1.917 2.702 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.115 2.571 5.587 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.452 3.221 5.873 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.244 2.437 6.904 1.00 8.54 C ATOM 0 H VAL A 70 -5.433 1.015 3.966 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.663 0.473 5.695 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.634 3.235 4.869 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.291 4.204 6.317 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.010 3.330 4.943 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.019 2.598 6.565 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.144 3.415 7.375 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.732 1.749 7.595 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.256 2.054 6.649 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.327 0.757 3.791 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.396 1.137 2.904 1.00 16.06 C ATOM 1133 C LEU A 71 -11.045 2.505 3.183 1.00 18.09 C ATOM 1134 O LEU A 71 -11.734 2.608 4.188 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.467 -0.016 2.769 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.213 -1.235 1.780 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -9.855 -2.005 1.966 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -12.428 -2.155 1.628 1.00 19.57 C ATOM 0 H LEU A 71 -9.590 0.063 4.491 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.911 1.280 1.938 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.618 -0.434 3.764 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.407 0.450 2.473 1.00 17.10 H new ATOM 0 HG LEU A 71 -11.079 -0.747 0.815 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -9.793 -2.814 1.238 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -9.023 -1.317 1.816 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -9.806 -2.419 2.973 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -12.187 -2.965 0.940 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -12.693 -2.571 2.600 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -13.270 -1.584 1.236 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.916 3.574 2.389 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.733 4.710 2.515 1.00 25.83 C ATOM 1152 C ARG A 72 -13.193 4.421 2.165 1.00 27.74 C ATOM 1153 O ARG A 72 -13.535 3.900 1.109 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.179 5.938 1.730 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.597 7.281 2.359 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.130 8.347 1.409 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.645 9.728 1.822 1.00 35.08 N ATOM 1158 CZ ARG A 72 -11.206 10.762 1.092 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -10.549 10.681 -0.067 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.507 11.952 1.617 1.00 35.02 N ATOM 0 H ARG A 72 -10.223 3.641 1.643 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.710 4.980 3.571 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.091 5.881 1.694 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.535 5.897 0.700 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.677 7.328 2.497 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.144 7.409 3.342 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.040 8.357 1.379 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.475 8.115 0.401 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.285 9.854 2.607 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.340 9.769 -0.472 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -10.256 11.532 -0.548 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -12.025 12.006 2.494 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -11.219 12.807 1.141 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.032 4.725 3.125 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.483 4.612 3.169 1.00 30.76 C ATOM 1176 C LEU A 73 -16.203 5.882 3.052 1.00 32.18 C ATOM 1177 O LEU A 73 -15.577 6.900 3.223 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.070 3.718 4.299 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.390 2.364 4.422 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.895 1.591 5.608 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.476 1.540 3.179 1.00 29.11 C ATOM 0 H LEU A 73 -13.678 5.104 4.003 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.674 4.059 2.249 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.984 4.245 5.249 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.133 3.565 4.114 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.334 2.584 4.578 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.384 0.630 5.660 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.700 2.155 6.520 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.968 1.427 5.505 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -14.970 0.588 3.338 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.523 1.359 2.934 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -14.998 2.072 2.356 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.497 5.908 2.706 1.00 33.82 N ATOM 1194 CA ARG A 74 -18.295 7.131 2.733 1.00 35.33 C ATOM 1195 C ARG A 74 -18.442 7.855 4.157 1.00 36.22 C ATOM 1196 O ARG A 74 -18.654 7.209 5.190 1.00 36.70 O ATOM 1197 CB ARG A 74 -19.722 6.960 2.106 1.00 36.91 C ATOM 1198 CG ARG A 74 -19.730 6.257 0.777 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.955 6.990 -0.296 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.860 6.148 -1.496 1.00 41.13 N ATOM 1201 CZ ARG A 74 -18.175 6.570 -2.592 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -18.004 7.803 -2.898 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.691 5.598 -3.385 1.00 41.93 N ATOM 0 H ARG A 74 -18.014 5.083 2.401 1.00 33.82 H new ATOM 0 HA ARG A 74 -17.690 7.789 2.109 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -20.349 6.403 2.803 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -20.175 7.944 1.987 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -19.310 5.259 0.900 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -20.761 6.131 0.448 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -19.449 7.931 -0.538 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -17.957 7.238 0.067 1.00 39.75 H new ATOM 0 HE ARG A 74 -19.314 5.235 -1.507 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -18.393 8.535 -2.303 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -17.479 8.052 -3.736 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.849 4.619 -3.146 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -17.166 5.840 -4.226 1.00 41.93 H new ATOM 1217 N GLY A 75 -18.246 9.167 4.184 1.00 36.31 N ATOM 1218 CA GLY A 75 -18.280 9.971 5.355 1.00 36.07 C ATOM 1219 C GLY A 75 -16.913 10.588 5.844 1.00 36.16 C ATOM 1220 O GLY A 75 -16.706 11.057 6.926 1.00 36.26 O ATOM 0 H GLY A 75 -18.051 9.705 3.340 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -18.978 10.790 5.183 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.689 9.369 6.167 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.914 10.558 4.951 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.677 11.130 5.374 1.00 36.19 C ATOM 1226 C GLY A 76 -13.719 11.058 4.217 1.00 36.20 C ATOM 1227 O GLY A 76 -13.643 9.898 3.688 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.115 12.013 3.754 1.00 0.00 O ATOM 0 H GLY A 76 -15.948 10.171 4.008 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.821 12.164 5.687 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -14.280 10.589 6.233 1.00 36.19 H new TER 1232 GLY A 76