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 104:sc= 1.23 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.03 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.0925 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.0921 X(o=0.18,f=0) USER MOD Set 3.1: A 6 LYS NZ :NH3+ -161:sc= 2.24 (180deg=0.807) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0.859 USER MOD Single : A 1 MET CE :methyl -173:sc= -0.151 (180deg=-0.188) USER MOD Single : A 1 MET N :NH3+ -153:sc= 1.5 (180deg=0.916) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 7 THR OG1 : rot 170:sc= -0.0547 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 154:sc= 1.22 (180deg=0.764) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00266 USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= 1.2 (180deg=1.18) USER MOD Single : A 29 LYS NZ :NH3+ 163:sc= 1.24 (180deg=1.13) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 33 LYS NZ :NH3+ 169:sc= 1.23 (180deg=0.973) USER MOD Single : A 40 GLN : amide:sc= -0.0341 K(o=-0.034,f=-1.2) USER MOD Single : A 41 GLN : amide:sc= 0.664 K(o=0.66,f=-0.95) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0486 X(o=-0.049,f=-0.049) USER MOD Single : A 59 TYR OH : rot 30:sc= -0.0597 USER MOD Single : A 60 ASN : amide:sc= -0.0171 X(o=-0.017,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0145 K(o=-0.015,f=-1.4!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 109:sc= 1.17 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.360 -7.277 -4.961 1.00 9.67 N ATOM 2 CA MET A 1 11.315 -7.021 -3.499 1.00 10.38 C ATOM 3 C MET A 1 9.895 -7.425 -3.026 1.00 9.62 C ATOM 4 O MET A 1 8.897 -7.193 -3.692 1.00 9.62 O ATOM 5 CB MET A 1 11.531 -5.498 -3.136 1.00 13.77 C ATOM 6 CG MET A 1 11.205 -5.181 -1.686 1.00 16.29 C ATOM 7 SD MET A 1 11.703 -3.526 -1.112 1.00 17.17 S ATOM 8 CE MET A 1 10.229 -2.742 -1.674 1.00 16.11 C ATOM 0 H1 MET A 1 12.340 -7.469 -5.250 1.00 9.67 H new ATOM 0 H2 MET A 1 10.765 -8.099 -5.188 1.00 9.67 H new ATOM 0 H3 MET A 1 11.006 -6.442 -5.471 1.00 9.67 H new ATOM 0 HA MET A 1 12.114 -7.587 -3.019 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.567 -5.226 -3.338 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.908 -4.883 -3.785 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.130 -5.288 -1.542 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.687 -5.926 -1.053 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.323 -1.663 -1.554 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.070 -2.978 -2.726 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.381 -3.100 -1.090 1.00 16.11 H new ATOM 20 N GLN A 2 9.839 -8.178 -1.893 1.00 9.27 N ATOM 21 CA GLN A 2 8.652 -8.782 -1.399 1.00 9.07 C ATOM 22 C GLN A 2 8.136 -7.933 -0.313 1.00 8.72 C ATOM 23 O GLN A 2 8.833 -7.567 0.610 1.00 8.22 O ATOM 24 CB GLN A 2 9.001 -10.168 -0.727 1.00 14.46 C ATOM 25 CG GLN A 2 7.831 -10.907 -0.066 1.00 17.01 C ATOM 26 CD GLN A 2 8.194 -12.347 0.106 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.727 -12.833 1.121 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.850 -13.162 -0.953 1.00 19.49 N ATOM 0 H GLN A 2 10.657 -8.363 -1.313 1.00 9.27 H new ATOM 0 HA GLN A 2 7.943 -8.907 -2.218 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.434 -10.819 -1.487 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.771 -10.001 0.026 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.602 -10.459 0.901 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.935 -10.816 -0.679 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.413 -12.762 -1.784 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.032 -14.164 -0.905 1.00 19.49 H new ATOM 37 N ILE A 3 6.841 -7.575 -0.348 1.00 5.87 N ATOM 38 CA ILE A 3 6.232 -6.776 0.777 1.00 5.07 C ATOM 39 C ILE A 3 4.982 -7.461 1.232 1.00 4.01 C ATOM 40 O ILE A 3 4.357 -8.238 0.477 1.00 4.61 O ATOM 41 CB ILE A 3 6.082 -5.295 0.572 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.014 -5.048 -0.568 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.437 -4.731 0.172 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.542 -3.617 -0.641 1.00 10.83 C ATOM 0 H ILE A 3 6.199 -7.807 -1.106 1.00 5.87 H new ATOM 0 HA ILE A 3 6.970 -6.773 1.579 1.00 5.07 H new ATOM 0 HB ILE A 3 5.743 -4.802 1.483 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.445 -5.331 -1.528 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.156 -5.699 -0.400 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.352 -3.655 0.018 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.161 -4.928 0.963 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.770 -5.205 -0.751 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.811 -3.515 -1.443 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.082 -3.337 0.307 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.391 -2.963 -0.839 1.00 10.83 H new ATOM 56 N PHE A 4 4.558 -7.142 2.491 1.00 4.55 N ATOM 57 CA PHE A 4 3.339 -7.689 3.049 1.00 4.68 C ATOM 58 C PHE A 4 2.404 -6.568 3.316 1.00 5.30 C ATOM 59 O PHE A 4 2.811 -5.565 3.908 1.00 5.58 O ATOM 60 CB PHE A 4 3.772 -8.302 4.447 1.00 4.83 C ATOM 61 CG PHE A 4 4.754 -9.464 4.229 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.594 -10.526 3.286 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.831 -9.532 5.122 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.533 -11.591 3.269 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.690 -10.603 5.153 1.00 10.61 C ATOM 66 CZ PHE A 4 6.540 -11.635 4.234 1.00 8.90 C ATOM 0 H PHE A 4 5.058 -6.509 3.115 1.00 4.55 H new ATOM 0 HA PHE A 4 2.866 -8.417 2.390 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.237 -7.532 5.063 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.893 -8.654 4.987 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.766 -10.519 2.592 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.991 -8.715 5.809 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.468 -12.361 2.515 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.479 -10.643 5.889 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.211 -12.481 4.267 1.00 8.90 H new ATOM 76 N VAL A 5 1.095 -6.702 2.999 1.00 4.44 N ATOM 77 CA VAL A 5 0.101 -5.677 3.351 1.00 3.87 C ATOM 78 C VAL A 5 -0.931 -6.310 4.147 1.00 4.93 C ATOM 79 O VAL A 5 -1.336 -7.499 3.830 1.00 6.84 O ATOM 80 CB VAL A 5 -0.529 -5.025 2.106 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.405 -3.732 2.559 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.555 -4.462 1.193 1.00 9.13 C ATOM 0 H VAL A 5 0.711 -7.506 2.503 1.00 4.44 H new ATOM 0 HA VAL A 5 0.599 -4.883 3.908 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.126 -5.786 1.604 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.852 -3.269 1.679 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.193 -4.048 3.243 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.758 -3.011 3.059 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.093 -4.005 0.318 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.131 -3.711 1.733 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.217 -5.267 0.874 1.00 9.13 H new ATOM 92 N LYS A 6 -1.367 -5.739 5.300 1.00 6.04 N ATOM 93 CA LYS A 6 -2.294 -6.372 6.142 1.00 6.12 C ATOM 94 C LYS A 6 -3.620 -5.742 6.020 1.00 6.57 C ATOM 95 O LYS A 6 -3.804 -4.529 6.061 1.00 5.76 O ATOM 96 CB LYS A 6 -1.790 -6.348 7.617 1.00 7.45 C ATOM 97 CG LYS A 6 -0.913 -7.453 8.181 1.00 11.12 C ATOM 98 CD LYS A 6 -1.524 -8.876 8.120 1.00 14.54 C ATOM 99 CE LYS A 6 -0.811 -9.926 8.994 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.495 -11.244 8.930 1.00 20.55 N ATOM 0 H LYS A 6 -1.058 -4.825 5.631 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.392 -7.413 5.835 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.244 -5.414 7.749 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.674 -6.292 8.252 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.032 -7.457 7.638 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.683 -7.218 9.220 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.569 -8.820 8.424 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.511 -9.217 7.085 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.222 -10.035 8.664 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.781 -9.581 10.027 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.208 -11.824 9.744 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.525 -11.102 8.952 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.231 -11.730 8.049 1.00 20.55 H new ATOM 114 N THR A 7 -4.673 -6.548 5.860 1.00 7.41 N ATOM 115 CA THR A 7 -6.016 -6.152 5.630 1.00 7.48 C ATOM 116 C THR A 7 -6.941 -5.967 6.805 1.00 8.75 C ATOM 117 O THR A 7 -6.579 -6.417 7.922 1.00 8.58 O ATOM 118 CB THR A 7 -6.691 -7.134 4.659 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.112 -8.383 5.244 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.719 -7.513 3.522 1.00 9.17 C ATOM 0 H THR A 7 -4.574 -7.563 5.895 1.00 7.41 H new ATOM 0 HA THR A 7 -5.881 -5.144 5.237 1.00 7.48 H new ATOM 0 HB THR A 7 -7.575 -6.596 4.317 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.668 -8.873 4.603 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.209 -8.209 2.841 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.429 -6.615 2.976 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.831 -7.983 3.944 1.00 9.17 H new ATOM 128 N LEU A 8 -8.159 -5.408 6.614 1.00 9.84 N ATOM 129 CA LEU A 8 -9.280 -5.261 7.638 1.00 14.15 C ATOM 130 C LEU A 8 -9.490 -6.514 8.461 1.00 17.37 C ATOM 131 O LEU A 8 -9.350 -6.502 9.695 1.00 17.01 O ATOM 132 CB LEU A 8 -10.606 -4.930 6.896 1.00 16.63 C ATOM 133 CG LEU A 8 -11.892 -4.815 7.709 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.658 -3.733 8.746 1.00 19.31 C ATOM 135 CD2 LEU A 8 -13.099 -4.465 6.794 1.00 18.59 C ATOM 0 H LEU A 8 -8.423 -5.022 5.708 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.991 -4.460 8.319 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.463 -3.987 6.369 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.761 -5.698 6.139 1.00 16.63 H new ATOM 0 HG LEU A 8 -12.134 -5.763 8.190 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -12.554 -3.613 9.355 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.821 -4.015 9.384 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.431 -2.792 8.245 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -14.003 -4.389 7.398 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -12.914 -3.513 6.296 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -13.227 -5.247 6.046 1.00 18.59 H new ATOM 147 N THR A 9 -9.761 -7.651 7.831 1.00 18.33 N ATOM 148 CA THR A 9 -10.008 -8.990 8.527 1.00 19.24 C ATOM 149 C THR A 9 -8.690 -9.766 8.790 1.00 19.48 C ATOM 150 O THR A 9 -8.712 -11.011 8.954 1.00 23.14 O ATOM 151 CB THR A 9 -10.968 -9.898 7.809 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.544 -10.230 6.517 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.361 -9.235 7.680 1.00 19.70 C ATOM 0 H THR A 9 -9.825 -7.712 6.815 1.00 18.33 H new ATOM 0 HA THR A 9 -10.470 -8.707 9.473 1.00 19.24 H new ATOM 0 HB THR A 9 -11.015 -10.805 8.412 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.203 -10.822 6.098 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.038 -9.910 7.157 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.756 -9.022 8.673 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.271 -8.305 7.118 1.00 19.70 H new ATOM 161 N GLY A 10 -7.512 -9.095 8.736 1.00 19.43 N ATOM 162 CA GLY A 10 -6.231 -9.572 9.303 1.00 18.74 C ATOM 163 C GLY A 10 -5.375 -10.362 8.381 1.00 17.62 C ATOM 164 O GLY A 10 -4.280 -10.865 8.735 1.00 19.74 O ATOM 0 H GLY A 10 -7.428 -8.184 8.285 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.662 -8.708 9.647 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.447 -10.181 10.181 1.00 18.74 H new ATOM 168 N LYS A 11 -5.766 -10.629 7.122 1.00 13.56 N ATOM 169 CA LYS A 11 -5.174 -11.479 6.121 1.00 11.91 C ATOM 170 C LYS A 11 -3.903 -10.831 5.671 1.00 10.18 C ATOM 171 O LYS A 11 -3.814 -9.615 5.646 1.00 9.10 O ATOM 172 CB LYS A 11 -6.203 -11.655 4.977 1.00 13.43 C ATOM 173 CG LYS A 11 -5.677 -12.581 3.858 1.00 16.69 C ATOM 174 CD LYS A 11 -6.643 -12.887 2.707 1.00 17.92 C ATOM 175 CE LYS A 11 -6.676 -11.824 1.633 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.404 -12.325 0.407 1.00 21.93 N ATOM 0 H LYS A 11 -6.611 -10.190 6.756 1.00 13.56 H new ATOM 0 HA LYS A 11 -4.928 -12.472 6.497 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.128 -12.066 5.382 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.446 -10.680 4.555 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.778 -12.130 3.437 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.377 -13.526 4.311 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.363 -13.838 2.254 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.647 -13.011 3.112 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.169 -10.930 2.015 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.659 -11.538 1.366 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.802 -11.518 -0.115 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.739 -12.840 -0.205 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.173 -12.963 0.696 1.00 21.93 H new ATOM 190 N THR A 12 -2.838 -11.568 5.298 1.00 9.63 N ATOM 191 CA THR A 12 -1.675 -11.065 4.633 1.00 9.85 C ATOM 192 C THR A 12 -1.808 -11.122 3.118 1.00 11.66 C ATOM 193 O THR A 12 -1.895 -12.175 2.536 1.00 12.33 O ATOM 194 CB THR A 12 -0.477 -11.799 5.064 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.301 -11.932 6.472 1.00 10.91 O ATOM 196 CG2 THR A 12 0.697 -10.900 4.680 1.00 9.63 C ATOM 0 H THR A 12 -2.788 -12.572 5.471 1.00 9.63 H new ATOM 0 HA THR A 12 -1.575 -10.016 4.913 1.00 9.85 H new ATOM 0 HB THR A 12 -0.554 -12.792 4.621 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.520 -12.435 6.653 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.632 -11.379 4.970 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.692 -10.736 3.602 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.605 -9.943 5.193 1.00 9.63 H new ATOM 204 N ILE A 13 -1.780 -9.932 2.490 1.00 10.42 N ATOM 205 CA ILE A 13 -1.603 -9.842 0.997 1.00 11.84 C ATOM 206 C ILE A 13 -0.022 -9.832 0.791 1.00 10.55 C ATOM 207 O ILE A 13 0.753 -8.988 1.251 1.00 11.92 O ATOM 208 CB ILE A 13 -2.192 -8.570 0.344 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.530 -8.145 1.048 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.398 -8.946 -1.141 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.068 -6.810 0.506 1.00 16.46 C ATOM 0 H ILE A 13 -1.873 -9.033 2.962 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.133 -10.669 0.524 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.535 -7.706 0.442 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.279 -8.923 0.903 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.363 -8.059 2.122 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.815 -8.094 -1.678 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.440 -9.220 -1.583 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.084 -9.790 -1.211 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.994 -6.555 1.021 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.331 -6.025 0.675 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.261 -6.902 -0.563 1.00 16.46 H new ATOM 223 N THR A 14 0.495 -10.878 0.040 1.00 9.39 N ATOM 224 CA THR A 14 1.917 -10.930 -0.263 1.00 9.63 C ATOM 225 C THR A 14 2.072 -10.501 -1.706 1.00 11.20 C ATOM 226 O THR A 14 1.452 -10.986 -2.677 1.00 11.63 O ATOM 227 CB THR A 14 2.569 -12.333 -0.014 1.00 10.38 C ATOM 228 OG1 THR A 14 2.288 -12.837 1.290 1.00 16.30 O ATOM 229 CG2 THR A 14 4.088 -12.367 -0.200 1.00 11.66 C ATOM 0 H THR A 14 -0.056 -11.650 -0.337 1.00 9.39 H new ATOM 0 HA THR A 14 2.448 -10.263 0.416 1.00 9.63 H new ATOM 0 HB THR A 14 2.111 -12.960 -0.779 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.712 -13.713 1.400 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.456 -13.375 -0.008 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.336 -12.079 -1.221 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.556 -11.672 0.497 1.00 11.66 H new ATOM 237 N LEU A 15 2.988 -9.466 -1.895 1.00 8.29 N ATOM 238 CA LEU A 15 3.133 -8.725 -3.103 1.00 9.03 C ATOM 239 C LEU A 15 4.577 -8.728 -3.599 1.00 8.59 C ATOM 240 O LEU A 15 5.501 -8.824 -2.731 1.00 7.79 O ATOM 241 CB LEU A 15 2.884 -7.197 -2.860 1.00 11.08 C ATOM 242 CG LEU A 15 1.533 -6.856 -2.199 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.355 -5.370 -2.044 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.383 -7.390 -3.002 1.00 15.27 C ATOM 0 H LEU A 15 3.630 -9.164 -1.163 1.00 8.29 H new ATOM 0 HA LEU A 15 2.432 -9.189 -3.797 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.687 -6.808 -2.234 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.946 -6.677 -3.816 1.00 11.08 H new ATOM 0 HG LEU A 15 1.543 -7.325 -1.215 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.393 -5.166 -1.575 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.155 -4.971 -1.420 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.389 -4.895 -3.025 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.555 -7.133 -2.510 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.401 -6.951 -4.000 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.466 -8.474 -3.081 1.00 15.27 H new ATOM 256 N GLU A 16 4.794 -8.557 -4.939 1.00 11.04 N ATOM 257 CA GLU A 16 6.186 -8.384 -5.486 1.00 11.50 C ATOM 258 C GLU A 16 6.300 -7.014 -6.161 1.00 10.13 C ATOM 259 O GLU A 16 5.518 -6.662 -7.027 1.00 9.83 O ATOM 260 CB GLU A 16 6.489 -9.602 -6.431 1.00 17.22 C ATOM 261 CG GLU A 16 7.551 -9.360 -7.521 1.00 23.33 C ATOM 262 CD GLU A 16 8.956 -9.382 -6.898 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.261 -10.455 -6.262 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.725 -8.419 -6.961 1.00 28.90 O ATOM 0 H GLU A 16 4.055 -8.535 -5.642 1.00 11.04 H new ATOM 0 HA GLU A 16 6.944 -8.389 -4.703 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.812 -10.442 -5.816 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.560 -9.901 -6.916 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.474 -10.126 -8.292 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.374 -8.400 -8.006 1.00 23.33 H new ATOM 271 N VAL A 17 7.336 -6.203 -5.817 1.00 8.99 N ATOM 272 CA VAL A 17 7.510 -4.880 -6.203 1.00 8.85 C ATOM 273 C VAL A 17 8.970 -4.643 -6.393 1.00 8.04 C ATOM 274 O VAL A 17 9.715 -5.380 -5.811 1.00 8.99 O ATOM 275 CB VAL A 17 6.975 -3.939 -5.155 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.476 -3.765 -5.228 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.411 -4.408 -3.743 1.00 10.54 C ATOM 0 H VAL A 17 8.095 -6.532 -5.220 1.00 8.99 H new ATOM 0 HA VAL A 17 6.965 -4.695 -7.128 1.00 8.85 H new ATOM 0 HB VAL A 17 7.405 -2.958 -5.357 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.151 -3.076 -4.448 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.203 -3.363 -6.204 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.990 -4.730 -5.085 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.019 -3.720 -2.994 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.022 -5.409 -3.556 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.499 -4.425 -3.685 1.00 10.54 H new ATOM 287 N GLU A 18 9.380 -3.551 -7.029 1.00 7.29 N ATOM 288 CA GLU A 18 10.665 -3.050 -6.863 1.00 7.08 C ATOM 289 C GLU A 18 10.661 -1.866 -5.859 1.00 6.45 C ATOM 290 O GLU A 18 9.541 -1.379 -5.583 1.00 5.28 O ATOM 291 CB GLU A 18 11.138 -2.672 -8.273 1.00 10.28 C ATOM 292 CG GLU A 18 11.329 -3.791 -9.348 1.00 12.65 C ATOM 293 CD GLU A 18 12.238 -4.887 -8.920 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.249 -4.575 -8.253 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.935 -6.070 -9.255 1.00 14.33 O ATOM 0 H GLU A 18 8.797 -3.013 -7.670 1.00 7.29 H new ATOM 0 HA GLU A 18 11.355 -3.772 -6.427 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.425 -1.952 -8.674 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.091 -2.153 -8.169 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.355 -4.215 -9.594 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.721 -3.342 -10.260 1.00 12.65 H new ATOM 302 N PRO A 19 11.761 -1.307 -5.414 1.00 7.24 N ATOM 303 CA PRO A 19 11.851 -0.304 -4.358 1.00 7.07 C ATOM 304 C PRO A 19 11.593 1.030 -4.962 1.00 6.65 C ATOM 305 O PRO A 19 11.232 1.979 -4.270 1.00 6.37 O ATOM 306 CB PRO A 19 13.225 -0.557 -3.719 1.00 7.61 C ATOM 307 CG PRO A 19 14.060 -1.110 -4.913 1.00 8.16 C ATOM 308 CD PRO A 19 13.051 -1.993 -5.541 1.00 7.49 C ATOM 0 HA PRO A 19 11.112 -0.355 -3.558 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.657 0.357 -3.312 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.165 -1.274 -2.900 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.401 -0.322 -5.585 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.946 -1.655 -4.586 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.292 -2.175 -6.588 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.024 -2.964 -5.047 1.00 7.49 H new ATOM 316 N SER A 20 11.624 1.089 -6.297 1.00 6.80 N ATOM 317 CA SER A 20 11.293 2.291 -7.009 1.00 6.28 C ATOM 318 C SER A 20 9.838 2.424 -7.464 1.00 8.45 C ATOM 319 O SER A 20 9.361 3.376 -8.064 1.00 7.26 O ATOM 320 CB SER A 20 12.157 2.373 -8.267 1.00 8.57 C ATOM 321 OG SER A 20 11.811 1.250 -9.075 1.00 11.13 O ATOM 0 H SER A 20 11.879 0.303 -6.895 1.00 6.80 H new ATOM 0 HA SER A 20 11.471 3.092 -6.291 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.975 3.305 -8.802 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.216 2.354 -8.011 1.00 8.57 H new ATOM 0 HG SER A 20 12.343 1.263 -9.898 1.00 11.13 H new ATOM 327 N ASP A 21 9.026 1.395 -7.201 1.00 7.50 N ATOM 328 CA ASP A 21 7.597 1.477 -7.367 1.00 7.70 C ATOM 329 C ASP A 21 6.918 2.416 -6.357 1.00 7.08 C ATOM 330 O ASP A 21 7.309 2.568 -5.184 1.00 8.11 O ATOM 331 CB ASP A 21 6.990 0.013 -7.258 1.00 11.00 C ATOM 332 CG ASP A 21 7.462 -0.876 -8.420 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.863 -0.394 -9.474 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.309 -2.118 -8.314 1.00 14.36 O ATOM 0 H ASP A 21 9.354 0.489 -6.868 1.00 7.50 H new ATOM 0 HA ASP A 21 7.401 1.906 -8.349 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.287 -0.436 -6.310 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.901 0.068 -7.258 1.00 11.00 H new ATOM 339 N THR A 22 6.000 3.245 -6.854 1.00 5.37 N ATOM 340 CA THR A 22 5.410 4.287 -5.990 1.00 6.01 C ATOM 341 C THR A 22 4.169 3.718 -5.296 1.00 8.01 C ATOM 342 O THR A 22 3.745 2.610 -5.569 1.00 8.11 O ATOM 343 CB THR A 22 5.105 5.597 -6.708 1.00 8.92 C ATOM 344 OG1 THR A 22 4.202 5.423 -7.822 1.00 10.22 O ATOM 345 CG2 THR A 22 6.425 6.176 -7.243 1.00 9.65 C ATOM 0 H THR A 22 5.654 3.226 -7.813 1.00 5.37 H new ATOM 0 HA THR A 22 6.162 4.555 -5.248 1.00 6.01 H new ATOM 0 HB THR A 22 4.626 6.264 -5.991 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.037 6.290 -8.248 1.00 10.22 H new ATOM 0 HG21 THR A 22 6.227 7.115 -7.761 1.00 9.65 H new ATOM 0 HG22 THR A 22 7.107 6.357 -6.412 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.878 5.468 -7.937 1.00 9.65 H new ATOM 353 N ILE A 23 3.508 4.424 -4.358 1.00 8.32 N ATOM 354 CA ILE A 23 2.467 3.959 -3.541 1.00 9.92 C ATOM 355 C ILE A 23 1.183 3.727 -4.310 1.00 10.01 C ATOM 356 O ILE A 23 0.567 2.679 -4.121 1.00 8.71 O ATOM 357 CB ILE A 23 2.175 4.968 -2.434 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.447 5.214 -1.536 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.940 4.608 -1.620 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.803 3.983 -0.648 1.00 12.30 C ATOM 0 H ILE A 23 3.735 5.400 -4.170 1.00 8.32 H new ATOM 0 HA ILE A 23 2.803 3.008 -3.128 1.00 9.92 H new ATOM 0 HB ILE A 23 1.936 5.915 -2.918 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.297 5.454 -2.175 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.274 6.080 -0.897 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.781 5.361 -0.848 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.070 4.572 -2.276 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.083 3.634 -1.153 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.687 4.208 -0.051 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.966 3.757 0.013 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.005 3.122 -1.284 1.00 12.30 H new ATOM 372 N GLU A 24 0.887 4.575 -5.288 1.00 9.54 N ATOM 373 CA GLU A 24 -0.134 4.447 -6.277 1.00 11.81 C ATOM 374 C GLU A 24 -0.031 3.127 -7.124 1.00 11.14 C ATOM 375 O GLU A 24 -1.006 2.542 -7.418 1.00 10.62 O ATOM 376 CB GLU A 24 -0.048 5.721 -7.177 1.00 19.24 C ATOM 377 CG GLU A 24 -1.216 5.864 -8.208 1.00 27.76 C ATOM 378 CD GLU A 24 -1.233 7.288 -8.806 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.181 7.800 -9.298 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.351 7.914 -8.777 1.00 36.51 O ATOM 0 H GLU A 24 1.413 5.441 -5.404 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.105 4.371 -5.787 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.035 6.603 -6.537 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.898 5.706 -7.718 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.099 5.129 -9.005 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.168 5.656 -7.720 1.00 27.76 H new ATOM 387 N ASN A 25 1.219 2.749 -7.534 1.00 9.43 N ATOM 388 CA ASN A 25 1.383 1.447 -8.238 1.00 10.96 C ATOM 389 C ASN A 25 1.174 0.258 -7.334 1.00 9.68 C ATOM 390 O ASN A 25 0.777 -0.785 -7.783 1.00 9.33 O ATOM 391 CB ASN A 25 2.781 1.472 -8.975 1.00 16.78 C ATOM 392 CG ASN A 25 2.828 2.279 -10.258 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.497 1.747 -11.278 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.067 3.619 -10.253 1.00 24.70 N ATOM 0 H ASN A 25 2.073 3.290 -7.399 1.00 9.43 H new ATOM 0 HA ASN A 25 0.599 1.322 -8.985 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.527 1.871 -8.288 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.072 0.446 -9.201 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.963 4.159 -11.112 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.350 4.083 -9.390 1.00 24.70 H new ATOM 401 N VAL A 26 1.463 0.406 -6.020 1.00 6.52 N ATOM 402 CA VAL A 26 1.204 -0.593 -4.916 1.00 5.53 C ATOM 403 C VAL A 26 -0.334 -0.650 -4.712 1.00 4.42 C ATOM 404 O VAL A 26 -0.839 -1.761 -4.690 1.00 3.40 O ATOM 405 CB VAL A 26 1.973 -0.239 -3.658 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.683 -1.289 -2.632 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.485 -0.325 -3.806 1.00 8.12 C ATOM 0 H VAL A 26 1.903 1.256 -5.668 1.00 6.52 H new ATOM 0 HA VAL A 26 1.565 -1.586 -5.183 1.00 5.53 H new ATOM 0 HB VAL A 26 1.672 0.779 -3.410 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.224 -1.060 -1.714 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.613 -1.311 -2.426 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.001 -2.262 -3.007 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.959 -0.056 -2.862 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.767 -1.342 -4.077 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.814 0.362 -4.585 1.00 8.12 H new ATOM 417 N LYS A 27 -1.042 0.433 -4.652 1.00 2.64 N ATOM 418 CA LYS A 27 -2.529 0.382 -4.546 1.00 4.14 C ATOM 419 C LYS A 27 -3.245 -0.310 -5.726 1.00 5.58 C ATOM 420 O LYS A 27 -4.204 -1.048 -5.587 1.00 4.11 O ATOM 421 CB LYS A 27 -3.078 1.828 -4.350 1.00 3.97 C ATOM 422 CG LYS A 27 -2.670 2.440 -3.013 1.00 7.45 C ATOM 423 CD LYS A 27 -3.355 3.736 -2.743 1.00 9.02 C ATOM 424 CE LYS A 27 -3.107 4.882 -3.744 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.476 6.192 -3.164 1.00 15.47 N ATOM 0 H LYS A 27 -0.650 1.375 -4.672 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.750 -0.244 -3.681 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.716 2.462 -5.160 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.166 1.811 -4.420 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.899 1.738 -2.211 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.591 2.594 -3.002 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.428 3.549 -2.701 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.052 4.079 -1.754 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.056 4.893 -4.034 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.686 4.707 -4.651 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.204 6.951 -3.821 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.503 6.224 -3.004 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -2.981 6.323 -2.259 1.00 15.47 H new ATOM 439 N ALA A 28 -2.759 -0.092 -6.953 1.00 6.61 N ATOM 440 CA ALA A 28 -3.344 -0.696 -8.163 1.00 7.74 C ATOM 441 C ALA A 28 -2.891 -2.159 -8.350 1.00 9.17 C ATOM 442 O ALA A 28 -3.611 -2.970 -8.949 1.00 11.45 O ATOM 443 CB ALA A 28 -2.891 0.061 -9.389 1.00 7.68 C ATOM 0 H ALA A 28 -1.953 0.505 -7.139 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.426 -0.655 -8.041 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -3.328 -0.392 -10.279 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -3.214 1.100 -9.315 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.804 0.023 -9.459 1.00 7.68 H new ATOM 449 N LYS A 29 -1.787 -2.511 -7.707 1.00 8.96 N ATOM 450 CA LYS A 29 -1.341 -3.851 -7.634 1.00 7.90 C ATOM 451 C LYS A 29 -2.256 -4.684 -6.698 1.00 6.92 C ATOM 452 O LYS A 29 -2.691 -5.840 -6.862 1.00 6.87 O ATOM 453 CB LYS A 29 0.122 -3.974 -7.105 1.00 10.28 C ATOM 454 CG LYS A 29 0.704 -5.409 -6.873 1.00 14.94 C ATOM 455 CD LYS A 29 2.217 -5.561 -7.008 1.00 19.69 C ATOM 456 CE LYS A 29 2.557 -5.582 -8.495 1.00 22.63 C ATOM 457 NZ LYS A 29 3.970 -5.128 -8.781 1.00 24.98 N ATOM 0 H LYS A 29 -1.183 -1.847 -7.222 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.378 -4.231 -8.655 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.776 -3.459 -7.809 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.182 -3.433 -6.160 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.416 -5.736 -5.874 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.228 -6.088 -7.580 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.729 -4.737 -6.512 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.552 -6.480 -6.527 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.420 -6.593 -8.880 1.00 22.63 H new ATOM 0 HE3 LYS A 29 1.859 -4.940 -9.031 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.243 -5.427 -9.739 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.022 -4.091 -8.714 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.618 -5.553 -8.088 1.00 24.98 H new ATOM 471 N ILE A 30 -2.648 -3.987 -5.594 1.00 4.57 N ATOM 472 CA ILE A 30 -3.643 -4.577 -4.623 1.00 5.58 C ATOM 473 C ILE A 30 -4.997 -4.643 -5.105 1.00 7.26 C ATOM 474 O ILE A 30 -5.733 -5.590 -4.875 1.00 9.46 O ATOM 475 CB ILE A 30 -3.591 -3.923 -3.279 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.205 -4.135 -2.580 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.819 -4.096 -2.331 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.906 -3.156 -1.465 1.00 2.00 C ATOM 0 H ILE A 30 -2.313 -3.055 -5.351 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.316 -5.611 -4.518 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.689 -2.864 -3.519 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.167 -5.147 -2.177 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.419 -4.061 -3.331 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.634 -3.567 -1.396 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.709 -3.687 -2.810 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.973 -5.155 -2.124 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.927 -3.377 -1.039 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.908 -2.141 -1.862 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.667 -3.244 -0.690 1.00 2.00 H new ATOM 490 N GLN A 31 -5.382 -3.760 -6.095 1.00 7.06 N ATOM 491 CA GLN A 31 -6.575 -3.966 -6.924 1.00 8.67 C ATOM 492 C GLN A 31 -6.476 -5.322 -7.683 1.00 10.90 C ATOM 493 O GLN A 31 -7.420 -6.076 -7.690 1.00 9.63 O ATOM 494 CB GLN A 31 -6.823 -2.855 -7.935 1.00 9.12 C ATOM 495 CG GLN A 31 -8.073 -3.070 -8.785 1.00 10.76 C ATOM 496 CD GLN A 31 -8.506 -1.844 -9.607 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.659 -1.028 -10.006 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.839 -1.723 -9.765 1.00 14.76 N ATOM 0 H GLN A 31 -4.867 -2.908 -6.318 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.417 -3.965 -6.232 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.913 -1.907 -7.405 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.957 -2.773 -8.592 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.895 -3.903 -9.465 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.895 -3.362 -8.132 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.463 -2.445 -9.404 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -10.224 -0.910 -10.246 1.00 14.76 H new ATOM 507 N ASP A 32 -5.281 -5.649 -8.322 1.00 10.93 N ATOM 508 CA ASP A 32 -5.097 -6.956 -8.980 1.00 14.01 C ATOM 509 C ASP A 32 -5.173 -8.225 -8.167 1.00 14.04 C ATOM 510 O ASP A 32 -5.744 -9.204 -8.561 1.00 13.39 O ATOM 511 CB ASP A 32 -3.724 -6.999 -9.748 1.00 18.01 C ATOM 512 CG ASP A 32 -3.706 -6.011 -10.934 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.692 -5.990 -11.695 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.656 -5.288 -11.070 1.00 25.17 O ATOM 0 H ASP A 32 -4.474 -5.028 -8.379 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.984 -6.979 -9.612 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -2.914 -6.758 -9.060 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.542 -8.010 -10.113 1.00 18.01 H new ATOM 519 N LYS A 33 -4.600 -8.154 -6.923 1.00 14.22 N ATOM 520 CA LYS A 33 -4.775 -9.178 -5.874 1.00 14.00 C ATOM 521 C LYS A 33 -6.211 -9.317 -5.234 1.00 12.37 C ATOM 522 O LYS A 33 -6.802 -10.409 -5.130 1.00 12.17 O ATOM 523 CB LYS A 33 -3.746 -8.830 -4.749 1.00 18.62 C ATOM 524 CG LYS A 33 -2.248 -8.936 -5.100 1.00 24.00 C ATOM 525 CD LYS A 33 -1.689 -10.316 -4.777 1.00 27.61 C ATOM 526 CE LYS A 33 -0.343 -10.694 -5.414 1.00 27.64 C ATOM 527 NZ LYS A 33 0.166 -11.973 -4.834 1.00 30.06 N ATOM 0 H LYS A 33 -4.005 -7.378 -6.633 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.620 -10.143 -6.357 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.943 -7.811 -4.416 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.940 -9.486 -3.900 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.107 -8.725 -6.160 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.691 -8.179 -4.548 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.584 -10.393 -3.695 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.427 -11.059 -5.080 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.460 -10.798 -6.493 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.382 -9.897 -5.247 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.972 -12.313 -5.397 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.472 -11.812 -3.853 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.591 -12.686 -4.848 1.00 30.06 H new ATOM 541 N GLU A 34 -6.780 -8.196 -4.739 1.00 10.11 N ATOM 542 CA GLU A 34 -7.951 -8.188 -3.897 1.00 10.07 C ATOM 543 C GLU A 34 -9.197 -7.632 -4.528 1.00 9.32 C ATOM 544 O GLU A 34 -10.307 -7.776 -3.979 1.00 11.61 O ATOM 545 CB GLU A 34 -7.661 -7.686 -2.488 1.00 14.77 C ATOM 546 CG GLU A 34 -6.432 -8.289 -1.766 1.00 18.75 C ATOM 547 CD GLU A 34 -6.596 -9.746 -1.610 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.681 -10.106 -1.072 1.00 21.95 O ATOM 549 OE2 GLU A 34 -5.698 -10.497 -2.024 1.00 25.19 O ATOM 0 H GLU A 34 -6.415 -7.263 -4.930 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.214 -9.239 -3.778 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.530 -6.605 -2.534 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.541 -7.875 -1.873 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.527 -8.077 -2.335 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.311 -7.823 -0.788 1.00 18.75 H new ATOM 556 N GLY A 35 -9.094 -6.988 -5.677 1.00 7.22 N ATOM 557 CA GLY A 35 -10.200 -6.376 -6.419 1.00 6.29 C ATOM 558 C GLY A 35 -10.582 -5.020 -5.917 1.00 6.93 C ATOM 559 O GLY A 35 -11.586 -4.490 -6.336 1.00 7.41 O ATOM 0 H GLY A 35 -8.197 -6.868 -6.147 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.923 -6.300 -7.470 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.069 -7.032 -6.365 1.00 6.29 H new ATOM 563 N ILE A 36 -9.825 -4.403 -4.991 1.00 5.86 N ATOM 564 CA ILE A 36 -10.236 -3.217 -4.289 1.00 6.07 C ATOM 565 C ILE A 36 -9.774 -1.928 -5.048 1.00 6.36 C ATOM 566 O ILE A 36 -8.571 -1.787 -5.280 1.00 6.18 O ATOM 567 CB ILE A 36 -9.692 -3.172 -2.872 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.734 -4.590 -2.185 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.263 -2.047 -1.977 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.120 -4.665 -0.839 1.00 9.49 C ATOM 0 H ILE A 36 -8.900 -4.736 -4.720 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.325 -3.250 -4.243 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.645 -2.892 -2.985 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.774 -4.907 -2.109 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.230 -5.305 -2.836 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.810 -2.104 -0.987 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.040 -1.078 -2.423 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.343 -2.165 -1.889 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.203 -5.683 -0.458 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.068 -4.386 -0.903 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.637 -3.982 -0.165 1.00 9.49 H new ATOM 582 N PRO A 37 -10.631 -1.040 -5.455 1.00 8.65 N ATOM 583 CA PRO A 37 -10.328 0.164 -6.180 1.00 9.18 C ATOM 584 C PRO A 37 -9.308 1.083 -5.470 1.00 9.85 C ATOM 585 O PRO A 37 -9.400 1.186 -4.262 1.00 8.51 O ATOM 586 CB PRO A 37 -11.621 0.890 -6.459 1.00 11.42 C ATOM 587 CG PRO A 37 -12.679 -0.205 -6.350 1.00 9.27 C ATOM 588 CD PRO A 37 -12.082 -1.148 -5.314 1.00 8.33 C ATOM 0 HA PRO A 37 -9.840 -0.121 -7.112 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.796 1.689 -5.739 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.618 1.348 -7.448 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.641 0.193 -6.028 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.844 -0.705 -7.305 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.397 -0.871 -4.308 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.415 -2.172 -5.482 1.00 8.33 H new ATOM 596 N PRO A 38 -8.380 1.673 -6.244 1.00 8.71 N ATOM 597 CA PRO A 38 -7.227 2.317 -5.633 1.00 9.08 C ATOM 598 C PRO A 38 -7.630 3.675 -5.042 1.00 9.28 C ATOM 599 O PRO A 38 -6.944 4.187 -4.150 1.00 6.50 O ATOM 600 CB PRO A 38 -6.242 2.532 -6.771 1.00 10.31 C ATOM 601 CG PRO A 38 -6.997 2.230 -8.047 1.00 10.81 C ATOM 602 CD PRO A 38 -8.027 1.216 -7.591 1.00 12.00 C ATOM 0 HA PRO A 38 -6.808 1.716 -4.826 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.868 3.556 -6.773 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.377 1.877 -6.666 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.464 3.123 -8.462 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.343 1.824 -8.819 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.895 1.200 -8.250 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.618 0.206 -7.578 1.00 12.00 H new ATOM 610 N ASP A 39 -8.730 4.272 -5.551 1.00 11.20 N ATOM 611 CA ASP A 39 -9.349 5.517 -4.957 1.00 14.96 C ATOM 612 C ASP A 39 -9.752 5.251 -3.521 1.00 13.99 C ATOM 613 O ASP A 39 -9.504 6.124 -2.696 1.00 13.75 O ATOM 614 CB ASP A 39 -10.529 6.031 -5.815 1.00 24.16 C ATOM 615 CG ASP A 39 -11.143 7.330 -5.369 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.442 8.338 -5.191 1.00 34.22 O ATOM 617 OD2 ASP A 39 -12.366 7.271 -5.075 1.00 35.55 O ATOM 0 H ASP A 39 -9.222 3.924 -6.374 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.607 6.316 -4.957 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.184 6.147 -6.842 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.307 5.267 -5.825 1.00 24.16 H new ATOM 622 N GLN A 40 -10.298 4.046 -3.161 1.00 11.60 N ATOM 623 CA GLN A 40 -10.781 3.712 -1.836 1.00 10.76 C ATOM 624 C GLN A 40 -9.618 3.348 -0.892 1.00 8.01 C ATOM 625 O GLN A 40 -9.787 3.374 0.355 1.00 8.96 O ATOM 626 CB GLN A 40 -11.740 2.428 -1.825 1.00 11.14 C ATOM 627 CG GLN A 40 -13.067 2.564 -2.565 1.00 14.85 C ATOM 628 CD GLN A 40 -14.019 1.433 -2.309 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.937 0.759 -1.255 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.932 1.138 -3.305 1.00 18.16 N ATOM 0 H GLN A 40 -10.404 3.279 -3.824 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.320 4.602 -1.511 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.193 1.590 -2.257 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.953 2.170 -0.788 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.542 3.500 -2.272 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.871 2.627 -3.635 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.969 1.710 -4.149 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.569 0.349 -3.196 1.00 18.16 H new ATOM 639 N GLN A 41 -8.419 3.055 -1.412 1.00 6.52 N ATOM 640 CA GLN A 41 -7.342 2.665 -0.544 1.00 3.87 C ATOM 641 C GLN A 41 -6.428 3.724 0.096 1.00 4.79 C ATOM 642 O GLN A 41 -5.948 4.702 -0.482 1.00 6.34 O ATOM 643 CB GLN A 41 -6.366 1.699 -1.373 1.00 4.20 C ATOM 644 CG GLN A 41 -7.009 0.362 -1.938 1.00 3.20 C ATOM 645 CD GLN A 41 -5.930 -0.517 -2.510 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.836 -0.702 -1.917 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.186 -1.055 -3.704 1.00 7.13 N ATOM 0 H GLN A 41 -8.190 3.084 -2.406 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.884 2.237 0.299 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.959 2.263 -2.212 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.526 1.430 -0.732 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.536 -0.164 -1.142 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.745 0.598 -2.707 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.084 -0.885 -4.158 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.484 -1.636 -4.163 1.00 7.13 H new ATOM 656 N ARG A 42 -6.085 3.451 1.376 1.00 5.73 N ATOM 657 CA ARG A 42 -5.045 4.135 2.067 1.00 6.97 C ATOM 658 C ARG A 42 -4.023 3.124 2.459 1.00 7.15 C ATOM 659 O ARG A 42 -4.301 2.014 2.936 1.00 7.33 O ATOM 660 CB ARG A 42 -5.530 4.857 3.281 1.00 13.23 C ATOM 661 CG ARG A 42 -6.654 5.946 3.035 1.00 21.27 C ATOM 662 CD ARG A 42 -6.931 6.791 4.305 1.00 26.14 C ATOM 663 NE ARG A 42 -7.690 8.002 3.805 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.229 8.847 4.675 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.691 8.595 5.856 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.386 10.134 4.295 1.00 36.39 N ATOM 0 H ARG A 42 -6.547 2.735 1.937 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.630 4.894 1.404 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -5.912 4.122 3.989 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.678 5.343 3.756 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.350 6.604 2.221 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.574 5.453 2.720 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.516 6.230 5.034 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.003 7.081 4.797 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.787 8.168 2.803 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.665 7.643 6.221 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.081 9.348 6.422 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.094 10.430 3.364 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.797 10.809 4.939 1.00 36.39 H new ATOM 680 N LEU A 43 -2.799 3.466 2.377 1.00 4.65 N ATOM 681 CA LEU A 43 -1.671 2.662 2.906 1.00 3.51 C ATOM 682 C LEU A 43 -0.947 3.380 3.981 1.00 5.56 C ATOM 683 O LEU A 43 -0.742 4.580 3.870 1.00 4.19 O ATOM 684 CB LEU A 43 -0.806 2.337 1.634 1.00 3.74 C ATOM 685 CG LEU A 43 -0.422 0.876 1.363 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.714 0.062 1.104 1.00 9.55 C ATOM 687 CD2 LEU A 43 0.534 0.924 0.158 1.00 6.41 C ATOM 0 H LEU A 43 -2.500 4.334 1.933 1.00 4.65 H new ATOM 0 HA LEU A 43 -1.983 1.742 3.400 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.347 2.705 0.762 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.116 2.915 1.704 1.00 3.74 H new ATOM 0 HG LEU A 43 0.077 0.383 2.197 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.455 -0.979 0.910 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -2.361 0.118 1.979 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -2.236 0.473 0.240 1.00 9.55 H new ATOM 0 HD21 LEU A 43 0.852 -0.088 -0.095 1.00 6.41 H new ATOM 0 HD22 LEU A 43 0.021 1.367 -0.696 1.00 6.41 H new ATOM 0 HD23 LEU A 43 1.407 1.526 0.410 1.00 6.41 H new ATOM 699 N ILE A 44 -0.772 2.670 5.123 1.00 4.58 N ATOM 700 CA ILE A 44 -0.102 3.266 6.257 1.00 5.55 C ATOM 701 C ILE A 44 1.154 2.470 6.622 1.00 5.46 C ATOM 702 O ILE A 44 1.159 1.233 6.728 1.00 6.04 O ATOM 703 CB ILE A 44 -1.078 3.503 7.487 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.164 4.529 7.157 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.428 4.026 8.793 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.313 4.659 8.199 1.00 13.90 C ATOM 0 H ILE A 44 -1.084 1.709 5.262 1.00 4.58 H new ATOM 0 HA ILE A 44 0.226 4.264 5.966 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.458 2.496 7.660 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.692 5.505 7.041 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.601 4.270 6.193 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.195 4.148 9.558 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.319 3.312 9.139 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.050 4.987 8.602 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.025 5.413 7.864 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.822 3.700 8.301 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.898 4.955 9.163 1.00 13.90 H new ATOM 718 N PHE A 45 2.359 3.088 6.864 1.00 6.75 N ATOM 719 CA PHE A 45 3.579 2.401 7.316 1.00 4.70 C ATOM 720 C PHE A 45 4.329 3.462 8.175 1.00 6.34 C ATOM 721 O PHE A 45 4.556 4.577 7.765 1.00 5.45 O ATOM 722 CB PHE A 45 4.385 1.974 6.076 1.00 5.51 C ATOM 723 CG PHE A 45 5.649 1.308 6.492 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.711 -0.069 6.839 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.846 2.074 6.487 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.929 -0.678 7.105 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.044 1.481 6.728 1.00 6.64 C ATOM 728 CZ PHE A 45 8.079 0.071 6.951 1.00 6.84 C ATOM 0 H PHE A 45 2.491 4.092 6.743 1.00 6.75 H new ATOM 0 HA PHE A 45 3.397 1.498 7.898 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.792 1.295 5.463 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.609 2.845 5.461 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.801 -0.647 6.896 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.803 3.135 6.290 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.976 -1.709 7.424 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.952 2.065 6.751 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.036 -0.426 7.001 1.00 6.84 H new ATOM 738 N ALA A 46 4.752 3.102 9.402 1.00 6.53 N ATOM 739 CA ALA A 46 5.484 3.959 10.345 1.00 7.15 C ATOM 740 C ALA A 46 4.723 5.173 10.844 1.00 9.00 C ATOM 741 O ALA A 46 5.329 6.197 11.086 1.00 11.15 O ATOM 742 CB ALA A 46 6.903 4.338 9.865 1.00 8.99 C ATOM 0 H ALA A 46 4.585 2.168 9.775 1.00 6.53 H new ATOM 0 HA ALA A 46 5.598 3.313 11.216 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.383 4.971 10.612 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.493 3.433 9.724 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.835 4.878 8.921 1.00 8.99 H new ATOM 748 N GLY A 47 3.385 5.015 10.970 1.00 9.35 N ATOM 749 CA GLY A 47 2.540 6.137 11.480 1.00 11.68 C ATOM 750 C GLY A 47 2.198 7.234 10.444 1.00 11.14 C ATOM 751 O GLY A 47 1.492 8.126 10.793 1.00 13.93 O ATOM 0 H GLY A 47 2.877 4.161 10.738 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.609 5.722 11.865 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.053 6.603 12.321 1.00 11.68 H new ATOM 755 N LYS A 48 2.669 7.000 9.226 1.00 10.47 N ATOM 756 CA LYS A 48 2.349 7.829 8.113 1.00 8.82 C ATOM 757 C LYS A 48 1.318 7.173 7.226 1.00 7.68 C ATOM 758 O LYS A 48 1.462 6.016 6.844 1.00 6.47 O ATOM 759 CB LYS A 48 3.602 8.179 7.235 1.00 9.74 C ATOM 760 CG LYS A 48 4.567 9.023 8.034 1.00 14.14 C ATOM 761 CD LYS A 48 5.687 9.685 7.149 1.00 16.32 C ATOM 762 CE LYS A 48 6.621 10.666 7.916 1.00 20.04 C ATOM 763 NZ LYS A 48 7.722 11.116 7.028 1.00 23.92 N ATOM 0 H LYS A 48 3.286 6.220 9.000 1.00 10.47 H new ATOM 0 HA LYS A 48 1.953 8.752 8.538 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.093 7.264 6.904 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.291 8.716 6.339 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.013 9.805 8.553 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.035 8.403 8.799 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.295 8.897 6.705 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.213 10.222 6.328 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.050 11.526 8.266 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.032 10.175 8.798 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.341 11.771 7.547 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.274 10.292 6.715 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.323 11.601 6.199 1.00 23.92 H new ATOM 777 N GLN A 49 0.292 7.954 6.862 1.00 8.89 N ATOM 778 CA GLN A 49 -0.438 7.782 5.644 1.00 7.18 C ATOM 779 C GLN A 49 0.449 8.037 4.451 1.00 8.23 C ATOM 780 O GLN A 49 1.181 9.033 4.404 1.00 9.70 O ATOM 781 CB GLN A 49 -1.760 8.616 5.591 1.00 11.67 C ATOM 782 CG GLN A 49 -2.782 8.074 4.567 1.00 15.82 C ATOM 783 CD GLN A 49 -4.006 9.002 4.369 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.700 9.384 5.334 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.347 9.191 3.073 1.00 20.67 N ATOM 0 H GLN A 49 -0.043 8.731 7.431 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.758 6.741 5.610 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.217 8.624 6.581 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.520 9.650 5.342 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.284 7.932 3.608 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.128 7.094 4.894 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.735 8.854 2.330 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.216 9.671 2.839 1.00 20.67 H new ATOM 794 N LEU A 50 0.525 7.091 3.520 1.00 6.51 N ATOM 795 CA LEU A 50 1.560 7.083 2.456 1.00 7.41 C ATOM 796 C LEU A 50 1.283 7.891 1.219 1.00 8.27 C ATOM 797 O LEU A 50 0.232 7.679 0.559 1.00 8.34 O ATOM 798 CB LEU A 50 2.099 5.608 2.105 1.00 7.13 C ATOM 799 CG LEU A 50 2.447 4.815 3.398 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.809 3.349 3.008 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.671 5.430 4.131 1.00 9.11 C ATOM 0 H LEU A 50 -0.121 6.304 3.470 1.00 6.51 H new ATOM 0 HA LEU A 50 2.368 7.636 2.935 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.343 5.067 1.536 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.983 5.682 1.471 1.00 7.13 H new ATOM 0 HG LEU A 50 1.582 4.853 4.060 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.055 2.784 3.907 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.959 2.885 2.508 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.667 3.353 2.336 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.886 4.851 5.029 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.538 5.410 3.471 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.449 6.461 4.408 1.00 9.11 H new ATOM 813 N GLU A 51 2.173 8.808 0.843 1.00 9.43 N ATOM 814 CA GLU A 51 2.008 9.735 -0.275 1.00 11.90 C ATOM 815 C GLU A 51 2.103 9.051 -1.649 1.00 11.49 C ATOM 816 O GLU A 51 2.952 8.255 -1.950 1.00 9.88 O ATOM 817 CB GLU A 51 2.963 10.926 -0.284 1.00 16.56 C ATOM 818 CG GLU A 51 2.907 11.778 1.001 1.00 26.06 C ATOM 819 CD GLU A 51 1.505 12.383 1.296 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.893 12.979 0.351 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.007 12.225 2.408 1.00 33.44 O ATOM 0 H GLU A 51 3.062 8.930 1.327 1.00 9.43 H new ATOM 0 HA GLU A 51 0.999 10.112 -0.105 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.981 10.563 -0.424 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.730 11.560 -1.140 1.00 16.56 H new ATOM 0 HG2 GLU A 51 3.211 11.162 1.847 1.00 26.06 H new ATOM 0 HG3 GLU A 51 3.632 12.588 0.920 1.00 26.06 H new ATOM 828 N ASP A 52 1.173 9.438 -2.542 1.00 12.71 N ATOM 829 CA ASP A 52 0.834 8.758 -3.782 1.00 16.56 C ATOM 830 C ASP A 52 1.994 8.641 -4.704 1.00 15.83 C ATOM 831 O ASP A 52 2.373 7.569 -5.168 1.00 17.21 O ATOM 832 CB ASP A 52 -0.349 9.439 -4.529 1.00 21.05 C ATOM 833 CG ASP A 52 -1.717 8.999 -3.990 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.060 9.285 -2.820 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.479 8.284 -4.685 1.00 25.82 O ATOM 0 H ASP A 52 0.615 10.280 -2.400 1.00 12.71 H new ATOM 0 HA ASP A 52 0.527 7.756 -3.482 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.257 10.521 -4.437 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.288 9.203 -5.591 1.00 21.05 H new ATOM 840 N GLY A 53 2.718 9.772 -4.866 1.00 15.00 N ATOM 841 CA GLY A 53 3.820 9.947 -5.751 1.00 11.77 C ATOM 842 C GLY A 53 5.187 9.547 -5.299 1.00 11.10 C ATOM 843 O GLY A 53 6.193 9.745 -5.998 1.00 11.25 O ATOM 0 H GLY A 53 2.511 10.619 -4.336 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.600 9.392 -6.663 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.859 11.002 -6.022 1.00 11.77 H new ATOM 847 N ARG A 54 5.331 9.029 -4.108 1.00 8.53 N ATOM 848 CA ARG A 54 6.665 8.803 -3.570 1.00 9.05 C ATOM 849 C ARG A 54 6.948 7.316 -3.635 1.00 8.96 C ATOM 850 O ARG A 54 6.116 6.473 -3.762 1.00 11.60 O ATOM 851 CB ARG A 54 6.715 9.228 -2.102 1.00 7.97 C ATOM 852 CG ARG A 54 7.068 10.688 -1.859 1.00 9.62 C ATOM 853 CD ARG A 54 7.133 11.060 -0.373 1.00 12.20 C ATOM 854 NE ARG A 54 7.063 12.500 -0.144 1.00 18.23 N ATOM 855 CZ ARG A 54 6.962 13.042 1.073 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.404 12.278 2.062 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.357 14.182 1.353 1.00 23.38 N ATOM 0 H ARG A 54 4.563 8.757 -3.494 1.00 8.53 H new ATOM 0 HA ARG A 54 7.394 9.377 -4.143 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.744 9.026 -1.649 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.444 8.604 -1.585 1.00 7.97 H new ATOM 0 HG2 ARG A 54 8.031 10.903 -2.322 1.00 9.62 H new ATOM 0 HG3 ARG A 54 6.329 11.320 -2.352 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.313 10.573 0.154 1.00 12.20 H new ATOM 0 HD3 ARG A 54 8.059 10.674 0.053 1.00 12.20 H new ATOM 0 HE ARG A 54 7.093 13.122 -0.952 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.784 11.353 1.861 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.364 12.615 3.024 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.919 14.723 0.608 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.328 14.521 2.314 1.00 23.38 H new ATOM 871 N THR A 55 8.278 6.896 -3.633 1.00 9.05 N ATOM 872 CA THR A 55 8.621 5.492 -3.789 1.00 9.03 C ATOM 873 C THR A 55 8.581 4.756 -2.494 1.00 8.15 C ATOM 874 O THR A 55 8.491 5.377 -1.453 1.00 5.91 O ATOM 875 CB THR A 55 9.850 5.161 -4.630 1.00 11.15 C ATOM 876 OG1 THR A 55 11.091 5.647 -4.013 1.00 11.95 O ATOM 877 CG2 THR A 55 9.777 5.859 -5.981 1.00 11.71 C ATOM 0 H THR A 55 9.077 7.521 -3.526 1.00 9.05 H new ATOM 0 HA THR A 55 7.816 5.114 -4.419 1.00 9.03 H new ATOM 0 HB THR A 55 9.859 4.075 -4.721 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.574 4.894 -3.612 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.662 5.611 -6.567 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.885 5.529 -6.513 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.731 6.938 -5.831 1.00 11.71 H new ATOM 885 N LEU A 56 8.495 3.433 -2.508 1.00 6.91 N ATOM 886 CA LEU A 56 8.706 2.588 -1.327 1.00 8.29 C ATOM 887 C LEU A 56 10.033 2.910 -0.636 1.00 8.05 C ATOM 888 O LEU A 56 9.993 2.993 0.584 1.00 10.17 O ATOM 889 CB LEU A 56 8.698 1.051 -1.781 1.00 6.60 C ATOM 890 CG LEU A 56 7.331 0.602 -2.298 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.469 -0.760 -3.007 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.278 0.527 -1.145 1.00 8.64 C ATOM 0 H LEU A 56 8.273 2.902 -3.351 1.00 6.91 H new ATOM 0 HA LEU A 56 7.903 2.781 -0.616 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.445 0.902 -2.561 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.988 0.424 -0.937 1.00 6.60 H new ATOM 0 HG LEU A 56 6.971 1.342 -3.013 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.494 -1.079 -3.375 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.160 -0.666 -3.845 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.851 -1.500 -2.303 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.318 0.205 -1.549 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.613 -0.187 -0.392 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.167 1.511 -0.689 1.00 8.64 H new ATOM 904 N SER A 57 11.141 3.043 -1.417 1.00 8.92 N ATOM 905 CA SER A 57 12.474 3.425 -0.899 1.00 9.00 C ATOM 906 C SER A 57 12.618 4.780 -0.187 1.00 9.44 C ATOM 907 O SER A 57 13.354 4.863 0.807 1.00 10.91 O ATOM 908 CB SER A 57 13.536 3.427 -2.051 1.00 10.32 C ATOM 909 OG SER A 57 13.166 4.230 -3.150 1.00 13.59 O ATOM 0 H SER A 57 11.129 2.887 -2.425 1.00 8.92 H new ATOM 0 HA SER A 57 12.632 2.661 -0.138 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.489 3.780 -1.657 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.692 2.404 -2.394 1.00 10.32 H new ATOM 0 HG SER A 57 13.867 4.192 -3.834 1.00 13.59 H new ATOM 915 N ASP A 58 11.891 5.807 -0.639 1.00 9.11 N ATOM 916 CA ASP A 58 11.810 7.091 -0.054 1.00 7.91 C ATOM 917 C ASP A 58 11.212 7.070 1.355 1.00 9.12 C ATOM 918 O ASP A 58 11.529 7.903 2.193 1.00 8.61 O ATOM 919 CB ASP A 58 10.928 7.915 -1.084 1.00 8.41 C ATOM 920 CG ASP A 58 11.082 9.423 -0.949 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.303 10.015 0.137 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.950 10.055 -2.013 1.00 11.70 O ATOM 0 H ASP A 58 11.317 5.728 -1.479 1.00 9.11 H new ATOM 0 HA ASP A 58 12.792 7.536 0.104 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.198 7.620 -2.098 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.880 7.651 -0.944 1.00 8.41 H new ATOM 927 N TYR A 59 10.357 6.070 1.642 1.00 7.97 N ATOM 928 CA TYR A 59 9.879 5.712 2.996 1.00 8.45 C ATOM 929 C TYR A 59 10.713 4.724 3.795 1.00 10.98 C ATOM 930 O TYR A 59 10.368 4.316 4.912 1.00 12.95 O ATOM 931 CB TYR A 59 8.495 5.179 2.844 1.00 7.94 C ATOM 932 CG TYR A 59 7.578 6.391 2.607 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.399 7.285 3.711 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.774 6.502 1.481 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.523 8.330 3.594 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.772 7.557 1.422 1.00 6.52 C ATOM 937 CZ TYR A 59 5.691 8.501 2.462 1.00 6.76 C ATOM 938 OH TYR A 59 4.718 9.455 2.407 1.00 7.63 O ATOM 0 H TYR A 59 9.966 5.469 0.917 1.00 7.97 H new ATOM 0 HA TYR A 59 9.947 6.628 3.583 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.439 4.482 2.008 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.191 4.632 3.736 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.950 7.136 4.628 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.890 5.813 0.657 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.464 9.051 4.396 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.094 7.615 0.583 1.00 6.52 H new ATOM 0 HH TYR A 59 4.982 10.224 2.954 1.00 7.63 H new ATOM 948 N ASN A 60 11.795 4.254 3.258 1.00 12.38 N ATOM 949 CA ASN A 60 12.768 3.271 3.761 1.00 13.94 C ATOM 950 C ASN A 60 12.121 1.876 3.933 1.00 14.16 C ATOM 951 O ASN A 60 12.591 1.094 4.717 1.00 14.26 O ATOM 952 CB ASN A 60 13.522 3.697 5.051 1.00 19.23 C ATOM 953 CG ASN A 60 14.150 5.125 5.011 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.037 5.435 4.237 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.687 5.927 5.940 1.00 24.09 N ATOM 0 H ASN A 60 12.074 4.580 2.333 1.00 12.38 H new ATOM 0 HA ASN A 60 13.534 3.219 2.987 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.830 3.645 5.891 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.314 2.974 5.245 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.072 6.866 6.042 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.942 5.612 6.561 1.00 24.09 H new ATOM 962 N ILE A 61 11.102 1.659 3.068 1.00 11.08 N ATOM 963 CA ILE A 61 10.401 0.384 3.072 1.00 11.78 C ATOM 964 C ILE A 61 11.217 -0.699 2.374 1.00 13.74 C ATOM 965 O ILE A 61 11.305 -0.622 1.173 1.00 14.60 O ATOM 966 CB ILE A 61 9.018 0.462 2.466 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.173 1.438 3.227 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.415 -0.979 2.460 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.867 1.945 2.470 1.00 11.42 C ATOM 0 H ILE A 61 10.766 2.337 2.384 1.00 11.08 H new ATOM 0 HA ILE A 61 10.277 0.119 4.122 1.00 11.78 H new ATOM 0 HB ILE A 61 9.058 0.828 1.440 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.871 0.976 4.167 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.785 2.304 3.479 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.415 -0.953 2.027 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.050 -1.637 1.867 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.358 -1.354 3.482 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.327 2.646 3.106 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.154 2.442 1.543 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.225 1.094 2.242 1.00 11.42 H new ATOM 981 N GLN A 62 11.743 -1.721 3.050 1.00 13.97 N ATOM 982 CA GLN A 62 12.604 -2.685 2.428 1.00 15.52 C ATOM 983 C GLN A 62 11.990 -4.099 2.755 1.00 13.94 C ATOM 984 O GLN A 62 10.979 -4.134 3.493 1.00 12.15 O ATOM 985 CB GLN A 62 14.075 -2.617 2.916 1.00 19.53 C ATOM 986 CG GLN A 62 14.785 -1.213 2.746 1.00 26.38 C ATOM 987 CD GLN A 62 16.200 -1.305 3.388 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.361 -1.963 4.396 1.00 33.23 O ATOM 989 NE2 GLN A 62 17.193 -0.528 2.858 1.00 32.71 N ATOM 0 H GLN A 62 11.575 -1.890 4.042 1.00 13.97 H new ATOM 0 HA GLN A 62 12.651 -2.482 1.358 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.103 -2.893 3.970 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.654 -3.365 2.375 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.862 -0.951 1.691 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.199 -0.430 3.227 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.021 0.011 2.009 1.00 32.71 H new ATOM 0 HE22 GLN A 62 18.106 -0.488 3.311 1.00 32.71 H new ATOM 998 N LYS A 63 12.568 -5.144 2.121 1.00 11.73 N ATOM 999 CA LYS A 63 12.147 -6.511 2.142 1.00 11.97 C ATOM 1000 C LYS A 63 11.529 -7.098 3.399 1.00 10.41 C ATOM 1001 O LYS A 63 11.988 -6.735 4.505 1.00 9.59 O ATOM 1002 CB LYS A 63 13.187 -7.473 1.601 1.00 13.73 C ATOM 1003 CG LYS A 63 14.367 -7.580 2.554 1.00 16.98 C ATOM 1004 CD LYS A 63 15.572 -8.434 2.095 1.00 20.19 C ATOM 1005 CE LYS A 63 16.911 -8.125 2.824 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.988 -8.848 2.063 1.00 25.97 N ATOM 0 H LYS A 63 13.401 -5.015 1.546 1.00 11.73 H new ATOM 0 HA LYS A 63 11.298 -6.414 1.466 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.740 -8.456 1.456 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.531 -7.133 0.624 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.727 -6.572 2.761 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.003 -7.988 3.497 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.330 -9.486 2.242 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.716 -8.287 1.025 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.103 -7.052 2.844 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.875 -8.462 3.860 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.909 -8.672 2.513 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.790 -9.869 2.067 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.011 -8.503 1.082 1.00 25.97 H new ATOM 1020 N GLU A 64 10.433 -7.944 3.284 1.00 10.04 N ATOM 1021 CA GLU A 64 9.753 -8.539 4.382 1.00 10.94 C ATOM 1022 C GLU A 64 9.264 -7.550 5.467 1.00 9.74 C ATOM 1023 O GLU A 64 9.391 -7.793 6.684 1.00 9.42 O ATOM 1024 CB GLU A 64 10.521 -9.755 4.961 1.00 18.31 C ATOM 1025 CG GLU A 64 10.597 -10.929 3.938 1.00 24.16 C ATOM 1026 CD GLU A 64 11.239 -12.202 4.500 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.637 -12.789 5.496 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.350 -12.594 4.057 1.00 32.61 O ATOM 0 H GLU A 64 10.033 -8.201 2.381 1.00 10.04 H new ATOM 0 HA GLU A 64 8.827 -8.924 3.956 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.529 -9.449 5.240 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.028 -10.097 5.871 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.590 -11.163 3.593 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.164 -10.602 3.066 1.00 24.16 H new ATOM 1035 N SER A 65 8.651 -6.430 5.049 1.00 6.85 N ATOM 1036 CA SER A 65 8.037 -5.421 5.955 1.00 6.90 C ATOM 1037 C SER A 65 6.570 -5.301 5.709 1.00 4.72 C ATOM 1038 O SER A 65 6.123 -5.440 4.571 1.00 3.91 O ATOM 1039 CB SER A 65 8.610 -4.000 5.843 1.00 7.28 C ATOM 1040 OG SER A 65 10.061 -4.073 5.847 1.00 10.56 O ATOM 0 H SER A 65 8.562 -6.189 4.062 1.00 6.85 H new ATOM 0 HA SER A 65 8.269 -5.805 6.948 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.260 -3.524 4.927 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.262 -3.387 6.674 1.00 7.28 H new ATOM 0 HG SER A 65 10.402 -3.858 4.954 1.00 10.56 H new ATOM 1046 N THR A 66 5.808 -5.133 6.798 1.00 4.48 N ATOM 1047 CA THR A 66 4.381 -5.218 6.871 1.00 3.80 C ATOM 1048 C THR A 66 3.776 -3.824 6.923 1.00 4.60 C ATOM 1049 O THR A 66 3.925 -2.973 7.785 1.00 5.33 O ATOM 1050 CB THR A 66 3.837 -6.022 8.048 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.288 -7.369 8.006 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.314 -6.128 7.995 1.00 3.40 C ATOM 0 H THR A 66 6.223 -4.920 7.705 1.00 4.48 H new ATOM 0 HA THR A 66 4.091 -5.755 5.968 1.00 3.80 H new ATOM 0 HB THR A 66 4.182 -5.499 8.940 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.925 -7.860 8.773 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.960 -6.707 8.848 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.878 -5.129 8.028 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.016 -6.623 7.071 1.00 3.40 H new ATOM 1060 N LEU A 67 3.000 -3.539 5.881 1.00 4.17 N ATOM 1061 CA LEU A 67 2.226 -2.347 5.593 1.00 3.85 C ATOM 1062 C LEU A 67 0.778 -2.607 6.050 1.00 3.80 C ATOM 1063 O LEU A 67 0.361 -3.762 6.154 1.00 5.54 O ATOM 1064 CB LEU A 67 2.306 -1.835 4.155 1.00 7.18 C ATOM 1065 CG LEU A 67 3.720 -1.392 3.688 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.558 -2.634 3.240 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.779 -0.306 2.580 1.00 11.66 C ATOM 0 H LEU A 67 2.890 -4.224 5.133 1.00 4.17 H new ATOM 0 HA LEU A 67 2.670 -1.524 6.152 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.949 -2.619 3.487 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.625 -0.991 4.048 1.00 7.18 H new ATOM 0 HG LEU A 67 4.144 -0.913 4.570 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.546 -2.308 2.915 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.660 -3.325 4.077 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.052 -3.136 2.415 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.820 -0.084 2.343 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.273 -0.670 1.686 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.286 0.600 2.932 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.043 -1.561 6.245 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.407 -1.616 6.682 1.00 4.17 C ATOM 1081 C HIS A 68 -2.257 -1.032 5.608 1.00 5.32 C ATOM 1082 O HIS A 68 -1.983 0.078 5.164 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.583 -0.831 7.988 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.673 -1.430 9.005 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.592 -0.942 9.170 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.777 -2.577 9.733 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.244 -1.760 10.034 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.460 -2.810 10.407 1.00 16.30 N ATOM 0 H HIS A 68 0.270 -0.603 6.085 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.699 -2.649 6.874 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.346 0.222 7.836 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.618 -0.879 8.326 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.652 -3.207 9.791 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.254 -1.600 10.381 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.701 -3.584 11.025 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.289 -1.797 5.125 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.290 -1.422 4.095 1.00 3.97 C ATOM 1098 C LEU A 69 -5.550 -0.997 4.875 1.00 5.07 C ATOM 1099 O LEU A 69 -6.121 -1.743 5.713 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.618 -2.598 3.173 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.784 -2.442 2.211 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.528 -1.307 1.179 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.944 -3.749 1.444 1.00 9.96 C ATOM 0 H LEU A 69 -3.444 -2.744 5.471 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.908 -0.625 3.457 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.727 -2.821 2.586 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.814 -3.469 3.798 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.676 -2.193 2.787 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.383 -1.225 0.508 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.388 -0.362 1.704 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.633 -1.537 0.600 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.776 -3.662 0.746 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.028 -3.961 0.892 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.142 -4.560 2.145 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.025 0.246 4.646 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.187 0.877 5.224 1.00 6.26 C ATOM 1117 C VAL A 70 -7.998 1.496 4.145 1.00 9.22 C ATOM 1118 O VAL A 70 -7.463 2.206 3.317 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.753 1.927 6.252 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.966 2.537 6.951 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.814 1.331 7.310 1.00 8.54 C ATOM 0 H VAL A 70 -5.551 0.870 3.994 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.795 0.131 5.736 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.217 2.702 5.704 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.633 3.279 7.676 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.610 3.015 6.212 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.523 1.753 7.464 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.528 2.106 8.021 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.325 0.525 7.837 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.921 0.938 6.824 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.305 1.199 4.081 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.213 1.732 3.056 1.00 16.06 C ATOM 1133 C LEU A 71 -10.665 3.030 3.605 1.00 18.09 C ATOM 1134 O LEU A 71 -11.155 3.099 4.730 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.369 0.825 2.541 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.807 -0.546 2.063 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.847 -1.390 1.375 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.525 -0.367 1.167 1.00 19.57 C ATOM 0 H LEU A 71 -9.765 0.576 4.746 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.666 1.819 2.117 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.100 0.670 3.335 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.890 1.318 1.720 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.511 -1.088 2.961 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.401 -2.334 1.063 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.669 -1.587 2.063 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.225 -0.860 0.501 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.161 -1.345 0.852 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.775 0.227 0.288 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.749 0.142 1.739 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.378 4.093 2.843 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.659 5.450 3.163 1.00 25.83 C ATOM 1152 C ARG A 72 -11.952 5.742 3.858 1.00 27.74 C ATOM 1153 O ARG A 72 -12.959 5.274 3.342 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.660 6.215 1.857 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.765 7.772 2.082 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.387 8.541 0.828 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.811 9.964 1.133 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.516 11.034 0.380 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -10.019 10.924 -0.868 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.828 12.258 0.831 1.00 35.02 N ATOM 0 H ARG A 72 -9.916 3.995 1.939 1.00 21.47 H new ATOM 0 HA ARG A 72 -9.892 5.742 3.880 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.748 5.990 1.305 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.496 5.881 1.242 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.782 8.031 2.376 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.111 8.067 2.902 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.318 8.477 0.627 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.901 8.150 -0.051 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.363 10.120 1.976 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.854 10.002 -1.272 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.808 11.763 -1.409 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.284 12.367 1.737 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.609 13.080 0.268 1.00 35.02 H new ATOM 1174 N LEU A 73 -11.973 6.635 4.886 1.00 28.93 N ATOM 1175 CA LEU A 73 -13.181 7.208 5.483 1.00 30.76 C ATOM 1176 C LEU A 73 -13.519 8.548 4.791 1.00 32.18 C ATOM 1177 O LEU A 73 -12.719 9.460 4.777 1.00 32.31 O ATOM 1178 CB LEU A 73 -12.833 7.401 6.984 1.00 30.53 C ATOM 1179 CG LEU A 73 -13.899 8.123 7.819 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -14.889 7.053 8.152 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -13.389 8.797 9.109 1.00 29.11 C ATOM 0 H LEU A 73 -11.118 6.976 5.324 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.059 6.573 5.365 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -12.651 6.421 7.426 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -11.900 7.961 7.054 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.303 8.957 7.246 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.694 7.477 8.752 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.301 6.639 7.232 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -14.394 6.262 8.716 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -14.222 9.277 9.622 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -12.946 8.045 9.762 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -12.638 9.546 8.856 1.00 29.11 H new ATOM 1193 N ARG A 74 -14.769 8.684 4.181 1.00 33.82 N ATOM 1194 CA ARG A 74 -14.909 9.951 3.508 1.00 35.33 C ATOM 1195 C ARG A 74 -15.343 11.125 4.432 1.00 36.22 C ATOM 1196 O ARG A 74 -16.091 10.921 5.373 1.00 36.70 O ATOM 1197 CB ARG A 74 -16.002 9.912 2.447 1.00 36.91 C ATOM 1198 CG ARG A 74 -15.575 8.943 1.234 1.00 38.62 C ATOM 1199 CD ARG A 74 -14.374 9.509 0.398 1.00 39.75 C ATOM 1200 NE ARG A 74 -14.021 8.438 -0.690 1.00 41.13 N ATOM 1201 CZ ARG A 74 -13.331 8.579 -1.832 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -12.727 9.690 -2.189 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -13.325 7.576 -2.656 1.00 41.93 N ATOM 0 H ARG A 74 -15.547 8.025 4.161 1.00 33.82 H new ATOM 0 HA ARG A 74 -13.911 10.117 3.103 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -16.934 9.561 2.890 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -16.187 10.918 2.069 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -15.305 7.966 1.634 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -16.431 8.793 0.576 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -14.643 10.457 -0.068 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -13.515 9.702 1.041 1.00 39.75 H new ATOM 0 HE ARG A 74 -14.366 7.497 -0.503 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -12.767 10.510 -1.583 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -12.218 9.733 -3.072 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -13.833 6.722 -2.424 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -12.813 7.642 -3.536 1.00 41.93 H new ATOM 1217 N GLY A 75 -14.838 12.326 4.111 1.00 36.31 N ATOM 1218 CA GLY A 75 -14.834 13.410 5.062 1.00 36.07 C ATOM 1219 C GLY A 75 -13.725 13.362 6.136 1.00 36.16 C ATOM 1220 O GLY A 75 -13.701 14.205 7.050 1.00 36.26 O ATOM 0 H GLY A 75 -14.433 12.554 3.203 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -14.742 14.348 4.514 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -15.800 13.429 5.566 1.00 36.07 H new ATOM 1224 N GLY A 76 -12.785 12.442 6.016 1.00 36.05 N ATOM 1225 CA GLY A 76 -11.688 12.375 6.941 1.00 36.19 C ATOM 1226 C GLY A 76 -10.433 11.839 6.233 1.00 36.20 C ATOM 1227 O GLY A 76 -9.876 12.412 5.252 1.00 0.00 O ATOM 1228 OXT GLY A 76 -9.948 10.811 6.670 1.00 0.00 O ATOM 0 H GLY A 76 -12.767 11.733 5.283 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -11.488 13.364 7.353 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -11.947 11.727 7.779 1.00 36.19 H new TER 1232 GLY A 76