USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 723 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 62 ASN : amide:sc= 1.01 X(o=1.9,f=1.7) USER MOD Set 1.2: A 64 SER OG : rot 180:sc= 0.925 USER MOD Single : A 1 MET CE :methyl 140:sc= -0.0542 (180deg=-2.57) USER MOD Single : A 1 MET N :NH3+ -133:sc= 0.12 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 1.19 K(o=1.2,f=-2.8!) USER MOD Single : A 4 TYR OH : rot 108:sc= 1.58 USER MOD Single : A 13 GLN : amide:sc= -0.623 K(o=-0.62,f=-5.4!) USER MOD Single : A 19 TYR OH : rot -117:sc= 0.105 USER MOD Single : A 22 GLN : amide:sc= -0.117 K(o=-0.12,f=-3!) USER MOD Single : A 23 MET CE :methyl 165:sc= -1.08 (180deg=-1.61!) USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= 1.24 (180deg=1.23) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 179:sc= 0.85 (180deg=0.85) USER MOD Single : A 36 ASN : amide:sc= 0.169 X(o=0.17,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 1.05 K(o=1,f=-0.091) USER MOD Single : A 55 SER OG : rot 77:sc= 1.29 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 170:sc=0.000608 USER MOD Single : A 68 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0289) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0.0322 USER MOD Single : A 83 HIS : no HE2:sc= 0.942 K(o=0.94,f=-4.2!) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot -90:sc= 0.708 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 147:sc= 1.38 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.193 -0.588 1.477 1.00 0.00 N ATOM 2 CA MET A 1 2.550 -0.245 0.181 1.00 0.00 C ATOM 3 C MET A 1 2.654 -1.436 -0.791 1.00 0.00 C ATOM 4 O MET A 1 3.003 -2.534 -0.360 1.00 0.00 O ATOM 5 CB MET A 1 3.099 1.087 -0.383 1.00 0.00 C ATOM 6 CG MET A 1 1.947 1.926 -0.951 1.00 0.00 C ATOM 7 SD MET A 1 2.394 3.494 -1.752 1.00 0.00 S ATOM 8 CE MET A 1 3.494 2.900 -3.064 1.00 0.00 C ATOM 0 H1 MET A 1 2.565 -0.315 2.259 1.00 0.00 H new ATOM 0 H2 MET A 1 3.370 -1.612 1.516 1.00 0.00 H new ATOM 0 H3 MET A 1 4.095 -0.077 1.563 1.00 0.00 H new ATOM 0 HA MET A 1 1.486 -0.067 0.335 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.611 1.641 0.403 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.834 0.887 -1.163 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.407 1.316 -1.676 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.253 2.145 -0.139 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.305 3.461 -3.979 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.531 3.041 -2.760 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.309 1.841 -3.242 1.00 0.00 H new ATOM 20 N LEU A 2 2.288 -1.280 -2.072 1.00 0.00 N ATOM 21 CA LEU A 2 2.212 -2.376 -3.043 1.00 0.00 C ATOM 22 C LEU A 2 2.652 -1.894 -4.435 1.00 0.00 C ATOM 23 O LEU A 2 2.935 -0.708 -4.630 1.00 0.00 O ATOM 24 CB LEU A 2 0.770 -2.919 -3.143 1.00 0.00 C ATOM 25 CG LEU A 2 0.205 -3.710 -1.945 1.00 0.00 C ATOM 26 CD1 LEU A 2 -0.554 -2.819 -0.954 1.00 0.00 C ATOM 27 CD2 LEU A 2 -0.775 -4.780 -2.446 1.00 0.00 C ATOM 0 H LEU A 2 2.033 -0.374 -2.466 1.00 0.00 H new ATOM 0 HA LEU A 2 2.877 -3.168 -2.699 1.00 0.00 H new ATOM 0 HB2 LEU A 2 0.107 -2.073 -3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 2 0.716 -3.562 -4.022 1.00 0.00 H new ATOM 0 HG LEU A 2 1.061 -4.153 -1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -0.930 -3.428 -0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 2 0.118 -2.055 -0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -1.391 -2.340 -1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -1.172 -5.336 -1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.595 -4.301 -2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -0.255 -5.464 -3.117 1.00 0.00 H new ATOM 39 N GLN A 3 2.674 -2.806 -5.412 1.00 0.00 N ATOM 40 CA GLN A 3 3.004 -2.567 -6.811 1.00 0.00 C ATOM 41 C GLN A 3 2.312 -3.625 -7.673 1.00 0.00 C ATOM 42 O GLN A 3 2.052 -4.731 -7.195 1.00 0.00 O ATOM 43 CB GLN A 3 4.545 -2.574 -6.932 1.00 0.00 C ATOM 44 CG GLN A 3 5.198 -2.652 -8.322 1.00 0.00 C ATOM 45 CD GLN A 3 5.630 -4.078 -8.686 1.00 0.00 C ATOM 46 OE1 GLN A 3 4.821 -4.993 -8.798 1.00 0.00 O ATOM 47 NE2 GLN A 3 6.922 -4.316 -8.839 1.00 0.00 N ATOM 0 H GLN A 3 2.449 -3.784 -5.232 1.00 0.00 H new ATOM 0 HA GLN A 3 2.647 -1.601 -7.169 1.00 0.00 H new ATOM 0 HB2 GLN A 3 4.914 -1.669 -6.449 1.00 0.00 H new ATOM 0 HB3 GLN A 3 4.914 -3.419 -6.351 1.00 0.00 H new ATOM 0 HG2 GLN A 3 4.496 -2.286 -9.071 1.00 0.00 H new ATOM 0 HG3 GLN A 3 6.066 -1.994 -8.350 1.00 0.00 H new ATOM 0 HE21 GLN A 3 7.595 -3.555 -8.746 1.00 0.00 H new ATOM 0 HE22 GLN A 3 7.245 -5.260 -9.050 1.00 0.00 H new ATOM 56 N TYR A 4 2.034 -3.288 -8.938 1.00 0.00 N ATOM 57 CA TYR A 4 1.644 -4.246 -9.966 1.00 0.00 C ATOM 58 C TYR A 4 2.724 -4.316 -11.044 1.00 0.00 C ATOM 59 O TYR A 4 3.494 -3.367 -11.239 1.00 0.00 O ATOM 60 CB TYR A 4 0.257 -3.920 -10.576 1.00 0.00 C ATOM 61 CG TYR A 4 0.084 -2.590 -11.315 1.00 0.00 C ATOM 62 CD1 TYR A 4 0.885 -2.237 -12.425 1.00 0.00 C ATOM 63 CD2 TYR A 4 -0.951 -1.712 -10.935 1.00 0.00 C ATOM 64 CE1 TYR A 4 0.754 -0.984 -13.039 1.00 0.00 C ATOM 65 CE2 TYR A 4 -1.098 -0.457 -11.550 1.00 0.00 C ATOM 66 CZ TYR A 4 -0.219 -0.072 -12.587 1.00 0.00 C ATOM 67 OH TYR A 4 -0.294 1.156 -13.171 1.00 0.00 O ATOM 0 H TYR A 4 2.076 -2.327 -9.276 1.00 0.00 H new ATOM 0 HA TYR A 4 1.549 -5.225 -9.496 1.00 0.00 H new ATOM 0 HB2 TYR A 4 0.002 -4.721 -11.269 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.476 -3.951 -9.770 1.00 0.00 H new ATOM 0 HD1 TYR A 4 1.608 -2.943 -12.805 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.642 -2.008 -10.159 1.00 0.00 H new ATOM 0 HE1 TYR A 4 1.401 -0.717 -13.861 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -1.882 0.213 -11.230 1.00 0.00 H new ATOM 0 HH TYR A 4 -1.098 1.204 -13.729 1.00 0.00 H new ATOM 77 N ARG A 5 2.665 -5.379 -11.845 1.00 0.00 N ATOM 78 CA ARG A 5 3.141 -5.393 -13.220 1.00 0.00 C ATOM 79 C ARG A 5 2.014 -6.009 -14.040 1.00 0.00 C ATOM 80 O ARG A 5 1.364 -6.953 -13.586 1.00 0.00 O ATOM 81 CB ARG A 5 4.469 -6.159 -13.332 1.00 0.00 C ATOM 82 CG ARG A 5 5.172 -5.869 -14.669 1.00 0.00 C ATOM 83 CD ARG A 5 6.561 -6.516 -14.701 1.00 0.00 C ATOM 84 NE ARG A 5 7.369 -6.028 -15.831 1.00 0.00 N ATOM 85 CZ ARG A 5 8.613 -6.420 -16.129 1.00 0.00 C ATOM 86 NH1 ARG A 5 9.234 -7.355 -15.413 1.00 0.00 N ATOM 87 NH2 ARG A 5 9.222 -5.851 -17.160 1.00 0.00 N ATOM 0 H ARG A 5 2.275 -6.273 -11.545 1.00 0.00 H new ATOM 0 HA ARG A 5 3.368 -4.394 -13.593 1.00 0.00 H new ATOM 0 HB2 ARG A 5 5.123 -5.879 -12.507 1.00 0.00 H new ATOM 0 HB3 ARG A 5 4.282 -7.229 -13.242 1.00 0.00 H new ATOM 0 HG2 ARG A 5 4.569 -6.250 -15.493 1.00 0.00 H new ATOM 0 HG3 ARG A 5 5.263 -4.792 -14.812 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.081 -6.306 -13.766 1.00 0.00 H new ATOM 0 HD3 ARG A 5 6.456 -7.599 -14.771 1.00 0.00 H new ATOM 0 HE ARG A 5 6.943 -5.330 -16.440 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.761 -7.788 -14.619 1.00 0.00 H new ATOM 0 HH12 ARG A 5 10.183 -7.639 -15.658 1.00 0.00 H new ATOM 0 HH21 ARG A 5 8.742 -5.134 -17.703 1.00 0.00 H new ATOM 0 HH22 ARG A 5 10.171 -6.131 -17.410 1.00 0.00 H new ATOM 101 N ILE A 6 1.739 -5.450 -15.210 1.00 0.00 N ATOM 102 CA ILE A 6 0.568 -5.746 -16.022 1.00 0.00 C ATOM 103 C ILE A 6 1.076 -5.876 -17.453 1.00 0.00 C ATOM 104 O ILE A 6 1.974 -5.132 -17.855 1.00 0.00 O ATOM 105 CB ILE A 6 -0.471 -4.601 -15.885 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.021 -4.492 -14.447 1.00 0.00 C ATOM 107 CG2 ILE A 6 -1.635 -4.747 -16.882 1.00 0.00 C ATOM 108 CD1 ILE A 6 -1.861 -3.237 -14.199 1.00 0.00 C ATOM 0 H ILE A 6 2.349 -4.752 -15.635 1.00 0.00 H new ATOM 0 HA ILE A 6 0.067 -6.662 -15.709 1.00 0.00 H new ATOM 0 HB ILE A 6 0.064 -3.681 -16.121 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.628 -5.372 -14.233 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.186 -4.503 -13.747 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.335 -3.923 -16.747 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.246 -4.730 -17.900 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.149 -5.692 -16.706 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.212 -3.232 -13.167 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.253 -2.351 -14.380 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.717 -3.233 -14.873 1.00 0.00 H new ATOM 120 N ILE A 7 0.467 -6.765 -18.233 1.00 0.00 N ATOM 121 CA ILE A 7 0.634 -6.841 -19.669 1.00 0.00 C ATOM 122 C ILE A 7 -0.772 -6.971 -20.263 1.00 0.00 C ATOM 123 O ILE A 7 -1.616 -7.686 -19.716 1.00 0.00 O ATOM 124 CB ILE A 7 1.572 -8.002 -20.104 1.00 0.00 C ATOM 125 CG1 ILE A 7 1.896 -9.099 -19.054 1.00 0.00 C ATOM 126 CG2 ILE A 7 2.870 -7.431 -20.698 1.00 0.00 C ATOM 127 CD1 ILE A 7 3.054 -8.797 -18.083 1.00 0.00 C ATOM 0 H ILE A 7 -0.173 -7.469 -17.866 1.00 0.00 H new ATOM 0 HA ILE A 7 1.129 -5.944 -20.042 1.00 0.00 H new ATOM 0 HB ILE A 7 0.985 -8.540 -20.848 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.997 -9.286 -18.466 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.127 -10.022 -19.585 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.523 -8.250 -21.001 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.633 -6.816 -21.566 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.376 -6.822 -19.949 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.184 -9.636 -17.399 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.973 -8.645 -18.649 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.825 -7.896 -17.513 1.00 0.00 H new ATOM 139 N VAL A 8 -1.029 -6.278 -21.373 1.00 0.00 N ATOM 140 CA VAL A 8 -2.337 -6.217 -22.021 1.00 0.00 C ATOM 141 C VAL A 8 -2.175 -6.385 -23.530 1.00 0.00 C ATOM 142 O VAL A 8 -1.138 -6.034 -24.095 1.00 0.00 O ATOM 143 CB VAL A 8 -3.064 -4.898 -21.678 1.00 0.00 C ATOM 144 CG1 VAL A 8 -3.527 -4.873 -20.226 1.00 0.00 C ATOM 145 CG2 VAL A 8 -2.242 -3.633 -21.952 1.00 0.00 C ATOM 0 H VAL A 8 -0.316 -5.731 -21.856 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.954 -7.033 -21.646 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.921 -4.883 -22.351 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.034 -3.930 -20.022 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.214 -5.700 -20.049 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.664 -4.971 -19.567 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.827 -2.754 -21.683 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.329 -3.657 -21.357 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.985 -3.588 -23.010 1.00 0.00 H new ATOM 155 N ASP A 9 -3.201 -6.933 -24.176 1.00 0.00 N ATOM 156 CA ASP A 9 -3.335 -7.038 -25.627 1.00 0.00 C ATOM 157 C ASP A 9 -4.778 -6.685 -25.972 1.00 0.00 C ATOM 158 O ASP A 9 -5.663 -6.837 -25.126 1.00 0.00 O ATOM 159 CB ASP A 9 -3.018 -8.459 -26.113 1.00 0.00 C ATOM 160 CG ASP A 9 -3.232 -8.612 -27.628 1.00 0.00 C ATOM 161 OD1 ASP A 9 -2.767 -7.743 -28.398 1.00 0.00 O ATOM 162 OD2 ASP A 9 -3.848 -9.614 -28.054 1.00 0.00 O ATOM 0 H ASP A 9 -3.997 -7.334 -23.681 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.632 -6.363 -26.115 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.985 -8.704 -25.866 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -3.650 -9.172 -25.584 1.00 0.00 H new ATOM 167 N GLY A 10 -5.018 -6.179 -27.176 1.00 0.00 N ATOM 168 CA GLY A 10 -6.293 -5.653 -27.622 1.00 0.00 C ATOM 169 C GLY A 10 -5.994 -4.515 -28.579 1.00 0.00 C ATOM 170 O GLY A 10 -4.890 -4.428 -29.130 1.00 0.00 O ATOM 0 H GLY A 10 -4.296 -6.124 -27.895 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.878 -6.428 -28.116 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.882 -5.300 -26.775 1.00 0.00 H new ATOM 174 N ARG A 11 -6.934 -3.584 -28.721 1.00 0.00 N ATOM 175 CA ARG A 11 -6.641 -2.278 -29.297 1.00 0.00 C ATOM 176 C ARG A 11 -5.966 -1.440 -28.208 1.00 0.00 C ATOM 177 O ARG A 11 -6.517 -0.436 -27.772 1.00 0.00 O ATOM 178 CB ARG A 11 -7.938 -1.660 -29.861 1.00 0.00 C ATOM 179 CG ARG A 11 -7.677 -0.402 -30.711 1.00 0.00 C ATOM 180 CD ARG A 11 -8.975 0.230 -31.234 1.00 0.00 C ATOM 181 NE ARG A 11 -9.717 -0.656 -32.152 1.00 0.00 N ATOM 182 CZ ARG A 11 -9.485 -0.817 -33.464 1.00 0.00 C ATOM 183 NH1 ARG A 11 -8.497 -0.161 -34.069 1.00 0.00 N ATOM 184 NH2 ARG A 11 -10.252 -1.643 -34.170 1.00 0.00 N ATOM 0 H ARG A 11 -7.907 -3.712 -28.444 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.956 -2.337 -30.143 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.455 -2.403 -30.468 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.602 -1.404 -29.036 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.134 0.331 -30.114 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.037 -0.663 -31.554 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.614 0.486 -30.389 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.738 1.161 -31.749 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.481 -1.199 -31.750 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.904 0.474 -33.535 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.333 -0.294 -35.067 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.011 -2.149 -33.714 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.081 -1.770 -35.168 1.00 0.00 H new ATOM 198 N VAL A 12 -4.818 -1.879 -27.692 1.00 0.00 N ATOM 199 CA VAL A 12 -4.155 -1.261 -26.539 1.00 0.00 C ATOM 200 C VAL A 12 -3.255 -0.092 -26.961 1.00 0.00 C ATOM 201 O VAL A 12 -2.373 0.323 -26.215 1.00 0.00 O ATOM 202 CB VAL A 12 -3.442 -2.337 -25.693 1.00 0.00 C ATOM 203 CG1 VAL A 12 -4.506 -3.223 -25.033 1.00 0.00 C ATOM 204 CG2 VAL A 12 -2.454 -3.208 -26.487 1.00 0.00 C ATOM 0 H VAL A 12 -4.315 -2.683 -28.066 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.908 -0.811 -25.892 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.841 -1.813 -24.950 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.019 -3.990 -24.431 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.144 -2.611 -24.395 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.113 -3.698 -25.804 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.996 -3.938 -25.820 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.986 -3.728 -27.284 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.679 -2.576 -26.921 1.00 0.00 H new ATOM 214 N GLN A 13 -3.464 0.454 -28.158 1.00 0.00 N ATOM 215 CA GLN A 13 -2.902 1.715 -28.607 1.00 0.00 C ATOM 216 C GLN A 13 -3.839 2.220 -29.711 1.00 0.00 C ATOM 217 O GLN A 13 -4.543 1.422 -30.339 1.00 0.00 O ATOM 218 CB GLN A 13 -1.452 1.505 -29.099 1.00 0.00 C ATOM 219 CG GLN A 13 -0.515 2.680 -28.771 1.00 0.00 C ATOM 220 CD GLN A 13 -0.272 2.865 -27.270 1.00 0.00 C ATOM 221 OE1 GLN A 13 -0.754 3.817 -26.664 1.00 0.00 O ATOM 222 NE2 GLN A 13 0.502 1.997 -26.633 1.00 0.00 N ATOM 0 H GLN A 13 -4.052 0.010 -28.863 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.836 2.454 -27.809 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.053 0.596 -28.649 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.462 1.349 -30.178 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.441 2.522 -29.269 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.939 3.598 -29.178 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.903 1.206 -27.137 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.697 2.121 -25.639 1.00 0.00 H new ATOM 231 N GLY A 14 -3.860 3.532 -29.950 1.00 0.00 N ATOM 232 CA GLY A 14 -4.732 4.142 -30.942 1.00 0.00 C ATOM 233 C GLY A 14 -4.719 5.650 -30.749 1.00 0.00 C ATOM 234 O GLY A 14 -3.918 6.341 -31.379 1.00 0.00 O ATOM 0 H GLY A 14 -3.268 4.200 -29.456 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.395 3.888 -31.947 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.747 3.758 -30.839 1.00 0.00 H new ATOM 238 N VAL A 15 -5.551 6.152 -29.831 1.00 0.00 N ATOM 239 CA VAL A 15 -5.568 7.578 -29.496 1.00 0.00 C ATOM 240 C VAL A 15 -4.296 7.974 -28.732 1.00 0.00 C ATOM 241 O VAL A 15 -3.747 9.049 -28.977 1.00 0.00 O ATOM 242 CB VAL A 15 -6.861 7.964 -28.741 1.00 0.00 C ATOM 243 CG1 VAL A 15 -8.071 7.869 -29.683 1.00 0.00 C ATOM 244 CG2 VAL A 15 -7.140 7.124 -27.481 1.00 0.00 C ATOM 0 H VAL A 15 -6.222 5.591 -29.307 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.572 8.149 -30.424 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.703 8.988 -28.403 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.976 8.143 -29.141 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.932 8.548 -30.524 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.165 6.848 -30.053 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.065 7.463 -27.015 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.236 6.074 -27.758 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.316 7.239 -26.777 1.00 0.00 H new ATOM 254 N GLY A 16 -3.804 7.100 -27.844 1.00 0.00 N ATOM 255 CA GLY A 16 -2.665 7.381 -26.976 1.00 0.00 C ATOM 256 C GLY A 16 -2.805 6.637 -25.656 1.00 0.00 C ATOM 257 O GLY A 16 -2.749 7.257 -24.592 1.00 0.00 O ATOM 0 H GLY A 16 -4.195 6.167 -27.711 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.741 7.084 -27.471 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.597 8.453 -26.791 1.00 0.00 H new ATOM 261 N PHE A 17 -3.074 5.327 -25.712 1.00 0.00 N ATOM 262 CA PHE A 17 -3.422 4.544 -24.528 1.00 0.00 C ATOM 263 C PHE A 17 -2.329 4.636 -23.475 1.00 0.00 C ATOM 264 O PHE A 17 -2.648 4.741 -22.296 1.00 0.00 O ATOM 265 CB PHE A 17 -3.667 3.072 -24.887 1.00 0.00 C ATOM 266 CG PHE A 17 -4.400 2.239 -23.839 1.00 0.00 C ATOM 267 CD1 PHE A 17 -5.646 2.659 -23.333 1.00 0.00 C ATOM 268 CD2 PHE A 17 -3.881 0.994 -23.428 1.00 0.00 C ATOM 269 CE1 PHE A 17 -6.391 1.824 -22.482 1.00 0.00 C ATOM 270 CE2 PHE A 17 -4.620 0.163 -22.567 1.00 0.00 C ATOM 271 CZ PHE A 17 -5.883 0.570 -22.105 1.00 0.00 C ATOM 0 H PHE A 17 -3.056 4.785 -26.576 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.343 4.963 -24.122 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.238 3.035 -25.815 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.704 2.602 -25.086 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.032 3.631 -23.601 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.909 0.676 -23.777 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.355 2.147 -22.118 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.216 -0.790 -22.260 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.461 -0.078 -21.463 1.00 0.00 H new ATOM 281 N ARG A 18 -1.050 4.635 -23.868 1.00 0.00 N ATOM 282 CA ARG A 18 0.024 4.641 -22.881 1.00 0.00 C ATOM 283 C ARG A 18 0.081 5.957 -22.094 1.00 0.00 C ATOM 284 O ARG A 18 0.280 5.906 -20.881 1.00 0.00 O ATOM 285 CB ARG A 18 1.357 4.168 -23.489 1.00 0.00 C ATOM 286 CG ARG A 18 2.081 5.122 -24.449 1.00 0.00 C ATOM 287 CD ARG A 18 3.382 4.469 -24.957 1.00 0.00 C ATOM 288 NE ARG A 18 3.153 3.625 -26.144 1.00 0.00 N ATOM 289 CZ ARG A 18 4.105 3.042 -26.887 1.00 0.00 C ATOM 290 NH1 ARG A 18 5.372 2.984 -26.501 1.00 0.00 N ATOM 291 NH2 ARG A 18 3.818 2.500 -28.061 1.00 0.00 N ATOM 0 H ARG A 18 -0.742 4.630 -24.841 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.203 3.896 -22.119 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.037 3.938 -22.669 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.171 3.235 -24.020 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.433 5.365 -25.291 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.309 6.059 -23.941 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.106 5.246 -25.200 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.818 3.864 -24.162 1.00 0.00 H new ATOM 0 HE ARG A 18 2.185 3.471 -26.425 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.653 3.392 -25.609 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.066 2.531 -27.096 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.861 2.522 -28.413 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.554 2.061 -28.613 1.00 0.00 H new ATOM 305 N TYR A 19 -0.165 7.126 -22.705 1.00 0.00 N ATOM 306 CA TYR A 19 -0.244 8.347 -21.900 1.00 0.00 C ATOM 307 C TYR A 19 -1.567 8.436 -21.149 1.00 0.00 C ATOM 308 O TYR A 19 -1.557 8.920 -20.021 1.00 0.00 O ATOM 309 CB TYR A 19 0.089 9.634 -22.664 1.00 0.00 C ATOM 310 CG TYR A 19 -0.773 10.023 -23.846 1.00 0.00 C ATOM 311 CD1 TYR A 19 -2.027 10.631 -23.642 1.00 0.00 C ATOM 312 CD2 TYR A 19 -0.252 9.902 -25.148 1.00 0.00 C ATOM 313 CE1 TYR A 19 -2.763 11.115 -24.737 1.00 0.00 C ATOM 314 CE2 TYR A 19 -0.975 10.399 -26.247 1.00 0.00 C ATOM 315 CZ TYR A 19 -2.236 11.011 -26.044 1.00 0.00 C ATOM 316 OH TYR A 19 -2.948 11.514 -27.091 1.00 0.00 O ATOM 0 H TYR A 19 -0.307 7.248 -23.708 1.00 0.00 H new ATOM 0 HA TYR A 19 0.552 8.262 -21.160 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.062 10.458 -21.951 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.117 9.552 -23.018 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.424 10.725 -22.642 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.705 9.426 -25.303 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.731 11.566 -24.580 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.569 10.314 -27.244 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.195 10.786 -27.699 1.00 0.00 H new ATOM 326 N PHE A 20 -2.682 7.923 -21.689 1.00 0.00 N ATOM 327 CA PHE A 20 -3.920 7.784 -20.917 1.00 0.00 C ATOM 328 C PHE A 20 -3.654 6.980 -19.644 1.00 0.00 C ATOM 329 O PHE A 20 -4.037 7.404 -18.557 1.00 0.00 O ATOM 330 CB PHE A 20 -5.042 7.164 -21.772 1.00 0.00 C ATOM 331 CG PHE A 20 -6.067 6.356 -20.989 1.00 0.00 C ATOM 332 CD1 PHE A 20 -7.196 6.975 -20.419 1.00 0.00 C ATOM 333 CD2 PHE A 20 -5.863 4.975 -20.794 1.00 0.00 C ATOM 334 CE1 PHE A 20 -8.109 6.213 -19.664 1.00 0.00 C ATOM 335 CE2 PHE A 20 -6.755 4.218 -20.016 1.00 0.00 C ATOM 336 CZ PHE A 20 -7.886 4.837 -19.457 1.00 0.00 C ATOM 0 H PHE A 20 -2.750 7.599 -22.654 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.265 8.775 -20.621 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.559 7.963 -22.303 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.591 6.519 -22.526 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.362 8.033 -20.561 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.010 4.493 -21.248 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.984 6.685 -19.242 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.573 3.167 -19.849 1.00 0.00 H new ATOM 0 HZ PHE A 20 -8.584 4.259 -18.869 1.00 0.00 H new ATOM 346 N VAL A 21 -2.936 5.867 -19.765 1.00 0.00 N ATOM 347 CA VAL A 21 -2.538 5.034 -18.652 1.00 0.00 C ATOM 348 C VAL A 21 -1.772 5.884 -17.632 1.00 0.00 C ATOM 349 O VAL A 21 -2.133 5.859 -16.457 1.00 0.00 O ATOM 350 CB VAL A 21 -1.792 3.804 -19.219 1.00 0.00 C ATOM 351 CG1 VAL A 21 -0.704 3.257 -18.289 1.00 0.00 C ATOM 352 CG2 VAL A 21 -2.805 2.710 -19.608 1.00 0.00 C ATOM 0 H VAL A 21 -2.610 5.517 -20.666 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.382 4.634 -18.090 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.261 4.139 -20.110 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.226 2.396 -18.755 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.041 4.031 -18.106 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.152 2.955 -17.343 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.273 1.846 -20.007 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.374 2.411 -18.727 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.486 3.098 -20.365 1.00 0.00 H new ATOM 362 N GLN A 22 -0.788 6.698 -18.034 1.00 0.00 N ATOM 363 CA GLN A 22 -0.086 7.523 -17.053 1.00 0.00 C ATOM 364 C GLN A 22 -0.948 8.658 -16.480 1.00 0.00 C ATOM 365 O GLN A 22 -0.705 9.063 -15.342 1.00 0.00 O ATOM 366 CB GLN A 22 1.254 8.048 -17.589 1.00 0.00 C ATOM 367 CG GLN A 22 2.331 6.967 -17.808 1.00 0.00 C ATOM 368 CD GLN A 22 2.770 6.152 -16.578 1.00 0.00 C ATOM 369 OE1 GLN A 22 2.234 6.250 -15.481 1.00 0.00 O ATOM 370 NE2 GLN A 22 3.794 5.330 -16.725 1.00 0.00 N ATOM 0 H GLN A 22 -0.470 6.800 -18.998 1.00 0.00 H new ATOM 0 HA GLN A 22 0.132 6.857 -16.218 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.076 8.560 -18.535 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.642 8.791 -16.892 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.962 6.270 -18.561 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.214 7.450 -18.226 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.249 5.239 -17.633 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.130 4.786 -15.930 1.00 0.00 H new ATOM 379 N MET A 23 -1.969 9.152 -17.190 1.00 0.00 N ATOM 380 CA MET A 23 -2.914 10.105 -16.602 1.00 0.00 C ATOM 381 C MET A 23 -3.694 9.412 -15.488 1.00 0.00 C ATOM 382 O MET A 23 -3.808 9.952 -14.390 1.00 0.00 O ATOM 383 CB MET A 23 -3.929 10.656 -17.614 1.00 0.00 C ATOM 384 CG MET A 23 -3.348 11.534 -18.723 1.00 0.00 C ATOM 385 SD MET A 23 -4.619 12.451 -19.644 1.00 0.00 S ATOM 386 CE MET A 23 -5.530 11.094 -20.437 1.00 0.00 C ATOM 0 H MET A 23 -2.160 8.910 -18.162 1.00 0.00 H new ATOM 0 HA MET A 23 -2.322 10.942 -16.231 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.448 9.816 -18.075 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.678 11.234 -17.072 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.643 12.241 -18.287 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.785 10.909 -19.416 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.483 11.466 -20.812 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.944 10.698 -21.266 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.710 10.303 -19.709 1.00 0.00 H new ATOM 396 N GLU A 24 -4.222 8.216 -15.753 1.00 0.00 N ATOM 397 CA GLU A 24 -5.027 7.470 -14.800 1.00 0.00 C ATOM 398 C GLU A 24 -4.164 7.035 -13.610 1.00 0.00 C ATOM 399 O GLU A 24 -4.641 7.051 -12.475 1.00 0.00 O ATOM 400 CB GLU A 24 -5.665 6.270 -15.513 1.00 0.00 C ATOM 401 CG GLU A 24 -6.690 6.680 -16.588 1.00 0.00 C ATOM 402 CD GLU A 24 -7.945 7.324 -15.983 1.00 0.00 C ATOM 403 OE1 GLU A 24 -8.767 6.599 -15.379 1.00 0.00 O ATOM 404 OE2 GLU A 24 -8.103 8.561 -16.078 1.00 0.00 O ATOM 0 H GLU A 24 -4.098 7.738 -16.646 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.826 8.099 -14.408 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.881 5.672 -15.977 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.156 5.635 -14.775 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.224 7.380 -17.282 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.978 5.802 -17.166 1.00 0.00 H new ATOM 411 N ALA A 25 -2.890 6.710 -13.856 1.00 0.00 N ATOM 412 CA ALA A 25 -1.902 6.416 -12.832 1.00 0.00 C ATOM 413 C ALA A 25 -1.737 7.624 -11.910 1.00 0.00 C ATOM 414 O ALA A 25 -1.918 7.502 -10.700 1.00 0.00 O ATOM 415 CB ALA A 25 -0.570 6.038 -13.497 1.00 0.00 C ATOM 0 H ALA A 25 -2.515 6.645 -14.802 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.236 5.572 -12.228 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.171 5.818 -12.728 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.714 5.159 -14.125 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.221 6.869 -14.110 1.00 0.00 H new ATOM 421 N ASP A 26 -1.449 8.799 -12.472 1.00 0.00 N ATOM 422 CA ASP A 26 -1.245 10.030 -11.703 1.00 0.00 C ATOM 423 C ASP A 26 -2.508 10.423 -10.932 1.00 0.00 C ATOM 424 O ASP A 26 -2.438 10.791 -9.760 1.00 0.00 O ATOM 425 CB ASP A 26 -0.820 11.171 -12.630 1.00 0.00 C ATOM 426 CG ASP A 26 -0.716 12.494 -11.852 1.00 0.00 C ATOM 427 OD1 ASP A 26 0.255 12.677 -11.087 1.00 0.00 O ATOM 428 OD2 ASP A 26 -1.600 13.365 -12.017 1.00 0.00 O ATOM 0 H ASP A 26 -1.350 8.925 -13.479 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.452 9.842 -10.979 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.141 10.936 -13.087 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.541 11.276 -13.440 1.00 0.00 H new ATOM 433 N LYS A 27 -3.679 10.256 -11.550 1.00 0.00 N ATOM 434 CA LYS A 27 -4.994 10.461 -10.945 1.00 0.00 C ATOM 435 C LYS A 27 -5.258 9.507 -9.771 1.00 0.00 C ATOM 436 O LYS A 27 -6.162 9.758 -8.973 1.00 0.00 O ATOM 437 CB LYS A 27 -6.027 10.365 -12.082 1.00 0.00 C ATOM 438 CG LYS A 27 -7.511 10.516 -11.700 1.00 0.00 C ATOM 439 CD LYS A 27 -8.258 9.188 -11.491 1.00 0.00 C ATOM 440 CE LYS A 27 -8.284 8.354 -12.778 1.00 0.00 C ATOM 441 NZ LYS A 27 -9.362 7.336 -12.802 1.00 0.00 N ATOM 0 H LYS A 27 -3.738 9.962 -12.525 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.061 11.445 -10.481 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.789 11.131 -12.820 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.901 9.400 -12.572 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.579 11.103 -10.784 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.017 11.083 -12.481 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.776 8.619 -10.696 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.278 9.390 -11.165 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.406 9.021 -13.631 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.322 7.856 -12.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.354 6.844 -13.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.207 6.648 -12.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.282 7.801 -12.667 1.00 0.00 H new ATOM 455 N ARG A 28 -4.489 8.426 -9.619 1.00 0.00 N ATOM 456 CA ARG A 28 -4.525 7.514 -8.469 1.00 0.00 C ATOM 457 C ARG A 28 -3.197 7.552 -7.697 1.00 0.00 C ATOM 458 O ARG A 28 -2.932 6.658 -6.897 1.00 0.00 O ATOM 459 CB ARG A 28 -4.901 6.093 -8.949 1.00 0.00 C ATOM 460 CG ARG A 28 -6.314 5.885 -9.530 1.00 0.00 C ATOM 461 CD ARG A 28 -7.471 6.078 -8.533 1.00 0.00 C ATOM 462 NE ARG A 28 -7.700 7.495 -8.203 1.00 0.00 N ATOM 463 CZ ARG A 28 -8.637 8.003 -7.397 1.00 0.00 C ATOM 464 NH1 ARG A 28 -9.530 7.219 -6.799 1.00 0.00 N ATOM 465 NH2 ARG A 28 -8.651 9.318 -7.208 1.00 0.00 N ATOM 0 H ARG A 28 -3.799 8.150 -10.318 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.292 7.839 -7.766 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.178 5.793 -9.708 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.781 5.411 -8.107 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.453 6.577 -10.361 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.375 4.877 -9.941 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.383 5.654 -8.953 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.255 5.526 -7.619 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.070 8.167 -8.641 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.507 6.211 -6.952 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.237 7.626 -6.187 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.960 9.907 -7.672 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.353 9.738 -6.599 1.00 0.00 H new ATOM 479 N LYS A 29 -2.369 8.589 -7.898 1.00 0.00 N ATOM 480 CA LYS A 29 -1.052 8.778 -7.277 1.00 0.00 C ATOM 481 C LYS A 29 -0.156 7.535 -7.385 1.00 0.00 C ATOM 482 O LYS A 29 0.683 7.287 -6.516 1.00 0.00 O ATOM 483 CB LYS A 29 -1.201 9.313 -5.836 1.00 0.00 C ATOM 484 CG LYS A 29 -1.973 10.644 -5.767 1.00 0.00 C ATOM 485 CD LYS A 29 -2.115 11.186 -4.336 1.00 0.00 C ATOM 486 CE LYS A 29 -0.764 11.588 -3.724 1.00 0.00 C ATOM 487 NZ LYS A 29 -0.916 12.170 -2.367 1.00 0.00 N ATOM 0 H LYS A 29 -2.613 9.354 -8.528 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.522 9.542 -7.845 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.716 8.568 -5.229 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.211 9.450 -5.401 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.462 11.386 -6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.965 10.504 -6.196 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.779 12.050 -4.342 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.584 10.428 -3.708 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.116 10.713 -3.672 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.273 12.311 -4.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.020 12.427 -1.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.513 13.020 -2.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.361 11.472 -1.738 1.00 0.00 H new ATOM 501 N LEU A 30 -0.328 6.751 -8.449 1.00 0.00 N ATOM 502 CA LEU A 30 0.569 5.661 -8.803 1.00 0.00 C ATOM 503 C LEU A 30 1.824 6.255 -9.449 1.00 0.00 C ATOM 504 O LEU A 30 1.777 7.374 -9.970 1.00 0.00 O ATOM 505 CB LEU A 30 -0.118 4.702 -9.791 1.00 0.00 C ATOM 506 CG LEU A 30 -1.422 4.045 -9.309 1.00 0.00 C ATOM 507 CD1 LEU A 30 -1.858 2.995 -10.331 1.00 0.00 C ATOM 508 CD2 LEU A 30 -1.275 3.368 -7.950 1.00 0.00 C ATOM 0 H LEU A 30 -1.108 6.860 -9.097 1.00 0.00 H new ATOM 0 HA LEU A 30 0.835 5.100 -7.907 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.330 5.251 -10.709 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.588 3.912 -10.048 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.164 4.837 -9.206 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.782 2.524 -9.997 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.023 3.473 -11.296 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.080 2.238 -10.429 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.227 2.922 -7.661 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.513 2.591 -8.011 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.980 4.107 -7.205 1.00 0.00 H new ATOM 520 N ALA A 31 2.927 5.500 -9.478 1.00 0.00 N ATOM 521 CA ALA A 31 4.155 5.912 -10.155 1.00 0.00 C ATOM 522 C ALA A 31 4.912 4.694 -10.683 1.00 0.00 C ATOM 523 O ALA A 31 5.059 3.708 -9.959 1.00 0.00 O ATOM 524 CB ALA A 31 5.032 6.697 -9.178 1.00 0.00 C ATOM 0 H ALA A 31 2.991 4.585 -9.031 1.00 0.00 H new ATOM 0 HA ALA A 31 3.899 6.547 -11.003 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.949 7.006 -9.680 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.493 7.579 -8.833 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.280 6.066 -8.324 1.00 0.00 H new ATOM 530 N GLY A 32 5.391 4.766 -11.929 1.00 0.00 N ATOM 531 CA GLY A 32 6.136 3.709 -12.603 1.00 0.00 C ATOM 532 C GLY A 32 6.047 3.874 -14.123 1.00 0.00 C ATOM 533 O GLY A 32 5.743 4.973 -14.594 1.00 0.00 O ATOM 0 H GLY A 32 5.264 5.593 -12.513 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.180 3.735 -12.289 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.740 2.736 -12.313 1.00 0.00 H new ATOM 537 N TRP A 33 6.324 2.830 -14.910 1.00 0.00 N ATOM 538 CA TRP A 33 6.491 2.933 -16.359 1.00 0.00 C ATOM 539 C TRP A 33 5.307 2.369 -17.146 1.00 0.00 C ATOM 540 O TRP A 33 4.538 1.545 -16.646 1.00 0.00 O ATOM 541 CB TRP A 33 7.821 2.297 -16.804 1.00 0.00 C ATOM 542 CG TRP A 33 8.021 0.804 -16.696 1.00 0.00 C ATOM 543 CD1 TRP A 33 7.296 -0.163 -17.313 1.00 0.00 C ATOM 544 CD2 TRP A 33 9.114 0.093 -16.033 1.00 0.00 C ATOM 545 NE1 TRP A 33 7.868 -1.402 -17.095 1.00 0.00 N ATOM 546 CE2 TRP A 33 9.016 -1.296 -16.346 1.00 0.00 C ATOM 547 CE3 TRP A 33 10.209 0.488 -15.232 1.00 0.00 C ATOM 548 CZ2 TRP A 33 9.973 -2.230 -15.925 1.00 0.00 C ATOM 549 CZ3 TRP A 33 11.161 -0.447 -14.780 1.00 0.00 C ATOM 550 CH2 TRP A 33 11.050 -1.804 -15.132 1.00 0.00 C ATOM 0 H TRP A 33 6.439 1.881 -14.554 1.00 0.00 H new ATOM 0 HA TRP A 33 6.522 3.997 -16.593 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.977 2.570 -17.848 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.615 2.772 -16.229 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.401 0.011 -17.891 1.00 0.00 H new ATOM 0 HE1 TRP A 33 7.488 -2.281 -17.445 1.00 0.00 H new ATOM 0 HE3 TRP A 33 10.318 1.528 -14.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 9.882 -3.268 -16.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 11.982 -0.119 -14.159 1.00 0.00 H new ATOM 0 HH2 TRP A 33 11.790 -2.515 -14.794 1.00 0.00 H new ATOM 561 N VAL A 34 5.224 2.755 -18.422 1.00 0.00 N ATOM 562 CA VAL A 34 4.403 2.097 -19.440 1.00 0.00 C ATOM 563 C VAL A 34 5.248 1.953 -20.709 1.00 0.00 C ATOM 564 O VAL A 34 6.113 2.791 -20.973 1.00 0.00 O ATOM 565 CB VAL A 34 3.078 2.856 -19.627 1.00 0.00 C ATOM 566 CG1 VAL A 34 3.302 4.257 -20.197 1.00 0.00 C ATOM 567 CG2 VAL A 34 2.094 2.074 -20.508 1.00 0.00 C ATOM 0 H VAL A 34 5.741 3.556 -18.785 1.00 0.00 H new ATOM 0 HA VAL A 34 4.106 1.093 -19.138 1.00 0.00 H new ATOM 0 HB VAL A 34 2.637 2.960 -18.635 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.342 4.760 -20.314 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.931 4.830 -19.516 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.792 4.181 -21.167 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.171 2.643 -20.616 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.536 1.910 -21.491 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.875 1.112 -20.044 1.00 0.00 H new ATOM 577 N LYS A 35 5.042 0.873 -21.464 1.00 0.00 N ATOM 578 CA LYS A 35 5.902 0.464 -22.573 1.00 0.00 C ATOM 579 C LYS A 35 5.079 -0.357 -23.562 1.00 0.00 C ATOM 580 O LYS A 35 4.119 -1.010 -23.158 1.00 0.00 O ATOM 581 CB LYS A 35 7.035 -0.373 -21.948 1.00 0.00 C ATOM 582 CG LYS A 35 8.046 -0.998 -22.923 1.00 0.00 C ATOM 583 CD LYS A 35 9.147 -1.794 -22.204 1.00 0.00 C ATOM 584 CE LYS A 35 8.523 -2.972 -21.442 1.00 0.00 C ATOM 585 NZ LYS A 35 9.517 -3.880 -20.826 1.00 0.00 N ATOM 0 H LYS A 35 4.253 0.244 -21.317 1.00 0.00 H new ATOM 0 HA LYS A 35 6.317 1.311 -23.119 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.582 0.261 -21.250 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.584 -1.175 -21.364 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.519 -1.656 -23.614 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.504 -0.210 -23.520 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.875 -2.161 -22.928 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.685 -1.146 -21.512 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.869 -2.582 -20.662 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.897 -3.545 -22.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.024 -4.640 -20.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.116 -4.294 -21.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.111 -3.345 -20.160 1.00 0.00 H new ATOM 599 N ASN A 36 5.488 -0.402 -24.829 1.00 0.00 N ATOM 600 CA ASN A 36 5.056 -1.437 -25.774 1.00 0.00 C ATOM 601 C ASN A 36 6.173 -2.478 -25.857 1.00 0.00 C ATOM 602 O ASN A 36 7.318 -2.113 -26.126 1.00 0.00 O ATOM 603 CB ASN A 36 4.776 -0.821 -27.152 1.00 0.00 C ATOM 604 CG ASN A 36 4.703 -1.873 -28.259 1.00 0.00 C ATOM 605 OD1 ASN A 36 5.483 -1.839 -29.206 1.00 0.00 O ATOM 606 ND2 ASN A 36 3.785 -2.823 -28.183 1.00 0.00 N ATOM 0 H ASN A 36 6.131 0.280 -25.233 1.00 0.00 H new ATOM 0 HA ASN A 36 4.131 -1.905 -25.436 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.836 -0.270 -27.116 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.559 -0.101 -27.390 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.723 -3.532 -28.914 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.139 -2.846 -27.394 1.00 0.00 H new ATOM 613 N ARG A 37 5.870 -3.749 -25.587 1.00 0.00 N ATOM 614 CA ARG A 37 6.835 -4.836 -25.755 1.00 0.00 C ATOM 615 C ARG A 37 6.867 -5.200 -27.236 1.00 0.00 C ATOM 616 O ARG A 37 5.831 -5.166 -27.901 1.00 0.00 O ATOM 617 CB ARG A 37 6.435 -6.062 -24.911 1.00 0.00 C ATOM 618 CG ARG A 37 6.492 -5.796 -23.393 1.00 0.00 C ATOM 619 CD ARG A 37 6.024 -6.997 -22.553 1.00 0.00 C ATOM 620 NE ARG A 37 6.917 -8.163 -22.683 1.00 0.00 N ATOM 621 CZ ARG A 37 7.894 -8.520 -21.835 1.00 0.00 C ATOM 622 NH1 ARG A 37 8.191 -7.786 -20.765 1.00 0.00 N ATOM 623 NH2 ARG A 37 8.582 -9.633 -22.069 1.00 0.00 N ATOM 0 H ARG A 37 4.957 -4.052 -25.249 1.00 0.00 H new ATOM 0 HA ARG A 37 7.821 -4.516 -25.416 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.425 -6.369 -25.182 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.096 -6.894 -25.153 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.514 -5.540 -23.113 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.871 -4.932 -23.158 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.967 -6.703 -21.505 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.017 -7.280 -22.860 1.00 0.00 H new ATOM 0 HE ARG A 37 6.778 -8.758 -23.500 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.671 -6.930 -20.574 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.938 -8.080 -20.136 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.365 -10.205 -22.885 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.327 -9.915 -21.432 1.00 0.00 H new ATOM 637 N ASP A 38 8.030 -5.619 -27.736 1.00 0.00 N ATOM 638 CA ASP A 38 8.219 -5.993 -29.142 1.00 0.00 C ATOM 639 C ASP A 38 7.292 -7.139 -29.568 1.00 0.00 C ATOM 640 O ASP A 38 6.900 -7.224 -30.732 1.00 0.00 O ATOM 641 CB ASP A 38 9.682 -6.386 -29.380 1.00 0.00 C ATOM 642 CG ASP A 38 9.922 -6.822 -30.835 1.00 0.00 C ATOM 643 OD1 ASP A 38 9.933 -5.955 -31.738 1.00 0.00 O ATOM 644 OD2 ASP A 38 10.146 -8.029 -31.082 1.00 0.00 O ATOM 0 H ASP A 38 8.876 -5.710 -27.173 1.00 0.00 H new ATOM 0 HA ASP A 38 7.963 -5.126 -29.751 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.329 -5.542 -29.141 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.955 -7.198 -28.706 1.00 0.00 H new ATOM 649 N ASP A 39 6.902 -7.997 -28.617 1.00 0.00 N ATOM 650 CA ASP A 39 5.963 -9.100 -28.834 1.00 0.00 C ATOM 651 C ASP A 39 4.573 -8.620 -29.281 1.00 0.00 C ATOM 652 O ASP A 39 3.873 -9.351 -29.984 1.00 0.00 O ATOM 653 CB ASP A 39 5.837 -9.919 -27.544 1.00 0.00 C ATOM 654 CG ASP A 39 4.863 -11.097 -27.715 1.00 0.00 C ATOM 655 OD1 ASP A 39 5.220 -12.090 -28.389 1.00 0.00 O ATOM 656 OD2 ASP A 39 3.753 -11.053 -27.141 1.00 0.00 O ATOM 0 H ASP A 39 7.239 -7.941 -27.656 1.00 0.00 H new ATOM 0 HA ASP A 39 6.362 -9.714 -29.641 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.818 -10.296 -27.254 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.492 -9.275 -26.735 1.00 0.00 H new ATOM 661 N GLY A 40 4.176 -7.398 -28.904 1.00 0.00 N ATOM 662 CA GLY A 40 2.911 -6.774 -29.288 1.00 0.00 C ATOM 663 C GLY A 40 2.131 -6.252 -28.081 1.00 0.00 C ATOM 664 O GLY A 40 1.288 -5.366 -28.238 1.00 0.00 O ATOM 0 H GLY A 40 4.746 -6.801 -28.305 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.108 -5.950 -29.974 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.300 -7.498 -29.827 1.00 0.00 H new ATOM 668 N ARG A 41 2.405 -6.777 -26.878 1.00 0.00 N ATOM 669 CA ARG A 41 1.764 -6.331 -25.642 1.00 0.00 C ATOM 670 C ARG A 41 2.029 -4.844 -25.400 1.00 0.00 C ATOM 671 O ARG A 41 3.069 -4.315 -25.802 1.00 0.00 O ATOM 672 CB ARG A 41 2.310 -7.117 -24.433 1.00 0.00 C ATOM 673 CG ARG A 41 1.940 -8.602 -24.308 1.00 0.00 C ATOM 674 CD ARG A 41 0.449 -8.789 -24.019 1.00 0.00 C ATOM 675 NE ARG A 41 0.126 -10.167 -23.603 1.00 0.00 N ATOM 676 CZ ARG A 41 -1.049 -10.561 -23.091 1.00 0.00 C ATOM 677 NH1 ARG A 41 -2.086 -9.736 -23.034 1.00 0.00 N ATOM 678 NH2 ARG A 41 -1.225 -11.788 -22.622 1.00 0.00 N ATOM 0 H ARG A 41 3.082 -7.527 -26.739 1.00 0.00 H new ATOM 0 HA ARG A 41 0.693 -6.505 -25.749 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.397 -7.045 -24.452 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.973 -6.612 -23.528 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.200 -9.121 -25.230 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.526 -9.058 -23.510 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.143 -8.095 -23.236 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.126 -8.537 -24.910 1.00 0.00 H new ATOM 0 HE ARG A 41 0.852 -10.875 -23.713 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.998 -8.782 -23.384 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.971 -10.056 -22.641 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.456 -12.458 -22.645 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.129 -12.062 -22.238 1.00 0.00 H new ATOM 692 N VAL A 42 1.168 -4.199 -24.622 1.00 0.00 N ATOM 693 CA VAL A 42 1.585 -3.066 -23.802 1.00 0.00 C ATOM 694 C VAL A 42 1.858 -3.635 -22.410 1.00 0.00 C ATOM 695 O VAL A 42 1.199 -4.586 -21.993 1.00 0.00 O ATOM 696 CB VAL A 42 0.520 -1.951 -23.869 1.00 0.00 C ATOM 697 CG1 VAL A 42 0.586 -0.937 -22.716 1.00 0.00 C ATOM 698 CG2 VAL A 42 0.670 -1.204 -25.202 1.00 0.00 C ATOM 0 H VAL A 42 0.180 -4.439 -24.541 1.00 0.00 H new ATOM 0 HA VAL A 42 2.496 -2.579 -24.151 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.448 -2.445 -23.782 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.198 -0.190 -22.843 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.443 -1.455 -21.768 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.559 -0.446 -22.719 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.077 -0.413 -25.262 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.667 -0.767 -25.264 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.527 -1.901 -26.028 1.00 0.00 H new ATOM 708 N GLU A 43 2.828 -3.067 -21.702 1.00 0.00 N ATOM 709 CA GLU A 43 3.244 -3.452 -20.362 1.00 0.00 C ATOM 710 C GLU A 43 3.175 -2.196 -19.501 1.00 0.00 C ATOM 711 O GLU A 43 3.476 -1.097 -19.976 1.00 0.00 O ATOM 712 CB GLU A 43 4.677 -4.006 -20.409 1.00 0.00 C ATOM 713 CG GLU A 43 5.189 -4.540 -19.057 1.00 0.00 C ATOM 714 CD GLU A 43 6.713 -4.657 -19.014 1.00 0.00 C ATOM 715 OE1 GLU A 43 7.318 -5.329 -19.879 1.00 0.00 O ATOM 716 OE2 GLU A 43 7.331 -4.078 -18.091 1.00 0.00 O ATOM 0 H GLU A 43 3.372 -2.286 -22.068 1.00 0.00 H new ATOM 0 HA GLU A 43 2.602 -4.230 -19.949 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.721 -4.809 -21.145 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.348 -3.220 -20.755 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.856 -3.877 -18.258 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.747 -5.518 -18.865 1.00 0.00 H new ATOM 723 N ILE A 44 2.797 -2.354 -18.235 1.00 0.00 N ATOM 724 CA ILE A 44 2.628 -1.280 -17.278 1.00 0.00 C ATOM 725 C ILE A 44 3.221 -1.799 -15.966 1.00 0.00 C ATOM 726 O ILE A 44 3.051 -2.978 -15.643 1.00 0.00 O ATOM 727 CB ILE A 44 1.122 -0.942 -17.116 1.00 0.00 C ATOM 728 CG1 ILE A 44 0.249 -1.189 -18.378 1.00 0.00 C ATOM 729 CG2 ILE A 44 1.007 0.509 -16.615 1.00 0.00 C ATOM 730 CD1 ILE A 44 -1.243 -0.896 -18.198 1.00 0.00 C ATOM 0 H ILE A 44 2.594 -3.272 -17.839 1.00 0.00 H new ATOM 0 HA ILE A 44 3.123 -0.363 -17.598 1.00 0.00 H new ATOM 0 HB ILE A 44 0.710 -1.640 -16.387 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.630 -0.572 -19.192 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.366 -2.228 -18.685 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.044 0.770 -16.493 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.518 0.605 -15.657 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.466 1.182 -17.340 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.769 -1.098 -19.131 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.646 -1.532 -17.410 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.378 0.150 -17.925 1.00 0.00 H new ATOM 742 N LEU A 45 3.885 -0.950 -15.185 1.00 0.00 N ATOM 743 CA LEU A 45 4.433 -1.330 -13.884 1.00 0.00 C ATOM 744 C LEU A 45 4.369 -0.085 -13.025 1.00 0.00 C ATOM 745 O LEU A 45 4.929 0.924 -13.438 1.00 0.00 O ATOM 746 CB LEU A 45 5.883 -1.820 -14.063 1.00 0.00 C ATOM 747 CG LEU A 45 6.486 -2.528 -12.833 1.00 0.00 C ATOM 748 CD1 LEU A 45 7.821 -3.161 -13.242 1.00 0.00 C ATOM 749 CD2 LEU A 45 6.755 -1.619 -11.627 1.00 0.00 C ATOM 0 H LEU A 45 4.059 0.023 -15.437 1.00 0.00 H new ATOM 0 HA LEU A 45 3.876 -2.143 -13.418 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.918 -2.504 -14.911 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.511 -0.966 -14.316 1.00 0.00 H new ATOM 0 HG LEU A 45 5.739 -3.256 -12.516 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.262 -3.667 -12.383 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.652 -3.883 -14.041 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.500 -2.384 -13.593 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.178 -2.209 -10.814 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.458 -0.836 -11.911 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.820 -1.165 -11.298 1.00 0.00 H new ATOM 761 N ALA A 46 3.704 -0.123 -11.869 1.00 0.00 N ATOM 762 CA ALA A 46 3.654 1.020 -10.966 1.00 0.00 C ATOM 763 C ALA A 46 3.431 0.577 -9.527 1.00 0.00 C ATOM 764 O ALA A 46 2.804 -0.457 -9.282 1.00 0.00 O ATOM 765 CB ALA A 46 2.531 1.978 -11.379 1.00 0.00 C ATOM 0 H ALA A 46 3.191 -0.940 -11.538 1.00 0.00 H new ATOM 0 HA ALA A 46 4.614 1.532 -11.030 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.507 2.826 -10.695 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.711 2.335 -12.393 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.575 1.455 -11.343 1.00 0.00 H new ATOM 771 N GLU A 47 3.907 1.389 -8.583 1.00 0.00 N ATOM 772 CA GLU A 47 3.626 1.239 -7.161 1.00 0.00 C ATOM 773 C GLU A 47 2.440 2.120 -6.760 1.00 0.00 C ATOM 774 O GLU A 47 2.179 3.142 -7.403 1.00 0.00 O ATOM 775 CB GLU A 47 4.876 1.531 -6.318 1.00 0.00 C ATOM 776 CG GLU A 47 5.361 2.985 -6.379 1.00 0.00 C ATOM 777 CD GLU A 47 6.530 3.210 -5.418 1.00 0.00 C ATOM 778 OE1 GLU A 47 7.602 2.610 -5.634 1.00 0.00 O ATOM 779 OE2 GLU A 47 6.398 4.024 -4.478 1.00 0.00 O ATOM 0 H GLU A 47 4.510 2.184 -8.793 1.00 0.00 H new ATOM 0 HA GLU A 47 3.349 0.203 -6.964 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.666 1.275 -5.280 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.683 0.878 -6.650 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.669 3.228 -7.396 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.541 3.657 -6.125 1.00 0.00 H new ATOM 786 N GLY A 48 1.752 1.742 -5.680 1.00 0.00 N ATOM 787 CA GLY A 48 0.681 2.505 -5.051 1.00 0.00 C ATOM 788 C GLY A 48 -0.010 1.686 -3.959 1.00 0.00 C ATOM 789 O GLY A 48 0.353 0.527 -3.744 1.00 0.00 O ATOM 0 H GLY A 48 1.937 0.859 -5.203 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.087 3.421 -4.621 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.049 2.802 -5.804 1.00 0.00 H new ATOM 793 N PRO A 49 -0.985 2.263 -3.239 1.00 0.00 N ATOM 794 CA PRO A 49 -1.818 1.520 -2.304 1.00 0.00 C ATOM 795 C PRO A 49 -2.795 0.613 -3.065 1.00 0.00 C ATOM 796 O PRO A 49 -3.090 0.842 -4.241 1.00 0.00 O ATOM 797 CB PRO A 49 -2.525 2.585 -1.463 1.00 0.00 C ATOM 798 CG PRO A 49 -2.621 3.786 -2.404 1.00 0.00 C ATOM 799 CD PRO A 49 -1.380 3.662 -3.291 1.00 0.00 C ATOM 0 HA PRO A 49 -1.245 0.850 -1.663 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.511 2.250 -1.139 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.959 2.826 -0.563 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.537 3.759 -2.994 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.625 4.726 -1.852 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.600 3.967 -4.314 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.578 4.307 -2.932 1.00 0.00 H new ATOM 807 N GLU A 50 -3.321 -0.412 -2.389 1.00 0.00 N ATOM 808 CA GLU A 50 -4.069 -1.494 -3.028 1.00 0.00 C ATOM 809 C GLU A 50 -5.262 -0.960 -3.826 1.00 0.00 C ATOM 810 O GLU A 50 -5.426 -1.329 -4.990 1.00 0.00 O ATOM 811 CB GLU A 50 -4.512 -2.509 -1.960 1.00 0.00 C ATOM 812 CG GLU A 50 -5.148 -3.766 -2.571 1.00 0.00 C ATOM 813 CD GLU A 50 -5.581 -4.764 -1.481 1.00 0.00 C ATOM 814 OE1 GLU A 50 -6.725 -4.665 -0.980 1.00 0.00 O ATOM 815 OE2 GLU A 50 -4.792 -5.667 -1.121 1.00 0.00 O ATOM 0 H GLU A 50 -3.238 -0.514 -1.377 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.418 -1.997 -3.743 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.650 -2.798 -1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.226 -2.035 -1.287 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.013 -3.483 -3.171 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.436 -4.245 -3.243 1.00 0.00 H new ATOM 822 N ASN A 51 -6.068 -0.076 -3.231 1.00 0.00 N ATOM 823 CA ASN A 51 -7.279 0.448 -3.872 1.00 0.00 C ATOM 824 C ASN A 51 -6.951 1.297 -5.099 1.00 0.00 C ATOM 825 O ASN A 51 -7.665 1.228 -6.100 1.00 0.00 O ATOM 826 CB ASN A 51 -8.097 1.274 -2.869 1.00 0.00 C ATOM 827 CG ASN A 51 -9.293 1.937 -3.550 1.00 0.00 C ATOM 828 OD1 ASN A 51 -9.279 3.134 -3.822 1.00 0.00 O ATOM 829 ND2 ASN A 51 -10.340 1.185 -3.847 1.00 0.00 N ATOM 0 H ASN A 51 -5.901 0.296 -2.296 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.868 -0.407 -4.205 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.445 0.630 -2.061 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -7.462 2.037 -2.418 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.150 1.598 -4.308 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.337 0.192 -3.615 1.00 0.00 H new ATOM 836 N ALA A 52 -5.868 2.077 -5.045 1.00 0.00 N ATOM 837 CA ALA A 52 -5.407 2.868 -6.179 1.00 0.00 C ATOM 838 C ALA A 52 -5.012 1.942 -7.327 1.00 0.00 C ATOM 839 O ALA A 52 -5.426 2.163 -8.468 1.00 0.00 O ATOM 840 CB ALA A 52 -4.216 3.724 -5.745 1.00 0.00 C ATOM 0 H ALA A 52 -5.289 2.175 -4.211 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.208 3.523 -6.523 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.867 4.318 -6.590 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.521 4.388 -4.936 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.410 3.077 -5.399 1.00 0.00 H new ATOM 846 N LEU A 53 -4.249 0.888 -7.012 1.00 0.00 N ATOM 847 CA LEU A 53 -3.822 -0.105 -7.988 1.00 0.00 C ATOM 848 C LEU A 53 -5.052 -0.762 -8.623 1.00 0.00 C ATOM 849 O LEU A 53 -5.120 -0.856 -9.846 1.00 0.00 O ATOM 850 CB LEU A 53 -2.870 -1.133 -7.338 1.00 0.00 C ATOM 851 CG LEU A 53 -1.510 -0.570 -6.873 1.00 0.00 C ATOM 852 CD1 LEU A 53 -0.809 -1.604 -5.990 1.00 0.00 C ATOM 853 CD2 LEU A 53 -0.556 -0.211 -8.013 1.00 0.00 C ATOM 0 H LEU A 53 -3.912 0.705 -6.067 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.258 0.380 -8.784 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.373 -1.578 -6.479 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.687 -1.936 -8.052 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.740 0.351 -6.337 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.152 -1.209 -5.660 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.430 -1.821 -5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.649 -2.520 -6.559 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.375 0.177 -7.600 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.347 -1.101 -8.606 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.015 0.548 -8.647 1.00 0.00 H new ATOM 865 N GLN A 54 -6.059 -1.147 -7.829 1.00 0.00 N ATOM 866 CA GLN A 54 -7.260 -1.794 -8.358 1.00 0.00 C ATOM 867 C GLN A 54 -8.055 -0.844 -9.253 1.00 0.00 C ATOM 868 O GLN A 54 -8.491 -1.237 -10.333 1.00 0.00 O ATOM 869 CB GLN A 54 -8.204 -2.332 -7.261 1.00 0.00 C ATOM 870 CG GLN A 54 -7.647 -3.342 -6.244 1.00 0.00 C ATOM 871 CD GLN A 54 -6.501 -4.203 -6.775 1.00 0.00 C ATOM 872 OE1 GLN A 54 -6.706 -5.133 -7.552 1.00 0.00 O ATOM 873 NE2 GLN A 54 -5.281 -3.903 -6.370 1.00 0.00 N ATOM 0 H GLN A 54 -6.063 -1.020 -6.817 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.891 -2.642 -8.935 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.586 -1.477 -6.704 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.057 -2.796 -7.756 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.301 -2.800 -5.364 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.456 -3.996 -5.918 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.134 -3.127 -5.725 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.485 -4.447 -6.702 1.00 0.00 H new ATOM 882 N SER A 55 -8.241 0.402 -8.820 1.00 0.00 N ATOM 883 CA SER A 55 -9.020 1.390 -9.561 1.00 0.00 C ATOM 884 C SER A 55 -8.383 1.638 -10.932 1.00 0.00 C ATOM 885 O SER A 55 -9.072 1.677 -11.954 1.00 0.00 O ATOM 886 CB SER A 55 -9.110 2.689 -8.750 1.00 0.00 C ATOM 887 OG SER A 55 -9.666 2.459 -7.466 1.00 0.00 O ATOM 0 H SER A 55 -7.855 0.754 -7.944 1.00 0.00 H new ATOM 0 HA SER A 55 -10.030 1.013 -9.721 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.116 3.124 -8.645 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.720 3.414 -9.288 1.00 0.00 H new ATOM 0 HG SER A 55 -8.989 2.054 -6.884 1.00 0.00 H new ATOM 893 N PHE A 56 -7.052 1.740 -10.965 1.00 0.00 N ATOM 894 CA PHE A 56 -6.303 1.815 -12.198 1.00 0.00 C ATOM 895 C PHE A 56 -6.522 0.561 -13.053 1.00 0.00 C ATOM 896 O PHE A 56 -6.815 0.699 -14.237 1.00 0.00 O ATOM 897 CB PHE A 56 -4.825 2.036 -11.868 1.00 0.00 C ATOM 898 CG PHE A 56 -3.964 1.919 -13.097 1.00 0.00 C ATOM 899 CD1 PHE A 56 -3.760 3.038 -13.924 1.00 0.00 C ATOM 900 CD2 PHE A 56 -3.489 0.652 -13.483 1.00 0.00 C ATOM 901 CE1 PHE A 56 -3.112 2.873 -15.157 1.00 0.00 C ATOM 902 CE2 PHE A 56 -2.829 0.498 -14.708 1.00 0.00 C ATOM 903 CZ PHE A 56 -2.653 1.607 -15.549 1.00 0.00 C ATOM 0 H PHE A 56 -6.471 1.772 -10.127 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.657 2.658 -12.792 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.694 3.022 -11.423 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.503 1.306 -11.126 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.099 4.015 -13.613 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.633 -0.200 -12.835 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.966 3.723 -15.807 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.457 -0.471 -15.005 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.162 1.485 -16.503 1.00 0.00 H new ATOM 913 N VAL A 57 -6.418 -0.653 -12.497 1.00 0.00 N ATOM 914 CA VAL A 57 -6.622 -1.881 -13.268 1.00 0.00 C ATOM 915 C VAL A 57 -8.015 -1.864 -13.914 1.00 0.00 C ATOM 916 O VAL A 57 -8.136 -2.203 -15.093 1.00 0.00 O ATOM 917 CB VAL A 57 -6.380 -3.121 -12.375 1.00 0.00 C ATOM 918 CG1 VAL A 57 -6.833 -4.440 -13.025 1.00 0.00 C ATOM 919 CG2 VAL A 57 -4.891 -3.282 -12.033 1.00 0.00 C ATOM 0 H VAL A 57 -6.193 -0.809 -11.514 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.896 -1.938 -14.079 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.976 -2.936 -11.481 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.634 -5.268 -12.345 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.901 -4.393 -13.237 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.285 -4.595 -13.955 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.755 -4.162 -11.405 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.317 -3.400 -12.952 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.543 -2.398 -11.499 1.00 0.00 H new ATOM 929 N GLU A 58 -9.050 -1.412 -13.197 1.00 0.00 N ATOM 930 CA GLU A 58 -10.391 -1.282 -13.753 1.00 0.00 C ATOM 931 C GLU A 58 -10.409 -0.270 -14.901 1.00 0.00 C ATOM 932 O GLU A 58 -11.015 -0.538 -15.936 1.00 0.00 O ATOM 933 CB GLU A 58 -11.400 -0.891 -12.661 1.00 0.00 C ATOM 934 CG GLU A 58 -11.644 -1.997 -11.623 1.00 0.00 C ATOM 935 CD GLU A 58 -12.382 -3.210 -12.216 1.00 0.00 C ATOM 936 OE1 GLU A 58 -13.630 -3.175 -12.321 1.00 0.00 O ATOM 937 OE2 GLU A 58 -11.729 -4.221 -12.562 1.00 0.00 O ATOM 0 H GLU A 58 -8.977 -1.129 -12.220 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.687 -2.252 -14.154 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.041 0.002 -12.150 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.348 -0.630 -13.131 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.688 -2.323 -11.212 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.225 -1.592 -10.795 1.00 0.00 H new ATOM 944 N ALA A 59 -9.713 0.860 -14.752 1.00 0.00 N ATOM 945 CA ALA A 59 -9.587 1.878 -15.794 1.00 0.00 C ATOM 946 C ALA A 59 -8.954 1.309 -17.072 1.00 0.00 C ATOM 947 O ALA A 59 -9.425 1.615 -18.169 1.00 0.00 O ATOM 948 CB ALA A 59 -8.794 3.076 -15.251 1.00 0.00 C ATOM 0 H ALA A 59 -9.216 1.095 -13.893 1.00 0.00 H new ATOM 0 HA ALA A 59 -10.585 2.218 -16.071 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.701 3.834 -16.029 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.316 3.499 -14.393 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.801 2.747 -14.945 1.00 0.00 H new ATOM 954 N VAL A 60 -7.925 0.459 -16.953 1.00 0.00 N ATOM 955 CA VAL A 60 -7.330 -0.210 -18.112 1.00 0.00 C ATOM 956 C VAL A 60 -8.355 -1.190 -18.698 1.00 0.00 C ATOM 957 O VAL A 60 -8.690 -1.105 -19.880 1.00 0.00 O ATOM 958 CB VAL A 60 -6.017 -0.936 -17.731 1.00 0.00 C ATOM 959 CG1 VAL A 60 -5.321 -1.545 -18.955 1.00 0.00 C ATOM 960 CG2 VAL A 60 -5.003 0.011 -17.080 1.00 0.00 C ATOM 0 H VAL A 60 -7.488 0.220 -16.063 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.071 0.536 -18.863 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.319 -1.715 -17.031 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.404 -2.044 -18.641 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.985 -2.269 -19.428 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.079 -0.755 -19.666 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.098 -0.542 -16.830 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.757 0.814 -17.775 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.432 0.435 -16.172 1.00 0.00 H new ATOM 970 N LYS A 61 -8.868 -2.114 -17.874 1.00 0.00 N ATOM 971 CA LYS A 61 -9.706 -3.225 -18.322 1.00 0.00 C ATOM 972 C LYS A 61 -10.976 -2.721 -19.003 1.00 0.00 C ATOM 973 O LYS A 61 -11.400 -3.298 -20.003 1.00 0.00 O ATOM 974 CB LYS A 61 -9.992 -4.142 -17.116 1.00 0.00 C ATOM 975 CG LYS A 61 -10.694 -5.468 -17.461 1.00 0.00 C ATOM 976 CD LYS A 61 -12.230 -5.396 -17.371 1.00 0.00 C ATOM 977 CE LYS A 61 -12.903 -6.724 -17.758 1.00 0.00 C ATOM 978 NZ LYS A 61 -12.670 -7.810 -16.772 1.00 0.00 N ATOM 0 H LYS A 61 -8.708 -2.107 -16.867 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.183 -3.809 -19.079 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.049 -4.366 -16.617 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.609 -3.597 -16.402 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.411 -5.767 -18.470 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.335 -6.245 -16.786 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -12.520 -5.128 -16.355 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.593 -4.604 -18.026 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.976 -6.562 -17.863 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.531 -7.041 -18.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.149 -8.677 -17.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.649 -7.989 -16.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -13.049 -7.525 -15.846 1.00 0.00 H new ATOM 992 N ASN A 62 -11.572 -1.642 -18.490 1.00 0.00 N ATOM 993 CA ASN A 62 -12.778 -1.044 -19.054 1.00 0.00 C ATOM 994 C ASN A 62 -12.547 -0.502 -20.469 1.00 0.00 C ATOM 995 O ASN A 62 -13.502 -0.405 -21.239 1.00 0.00 O ATOM 996 CB ASN A 62 -13.282 0.084 -18.145 1.00 0.00 C ATOM 997 CG ASN A 62 -14.593 0.672 -18.666 1.00 0.00 C ATOM 998 OD1 ASN A 62 -15.613 -0.010 -18.722 1.00 0.00 O ATOM 999 ND2 ASN A 62 -14.603 1.936 -19.049 1.00 0.00 N ATOM 0 H ASN A 62 -11.225 -1.156 -17.663 1.00 0.00 H new ATOM 0 HA ASN A 62 -13.529 -1.831 -19.119 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.428 -0.298 -17.135 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.528 0.869 -18.083 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.465 2.357 -19.396 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -13.749 2.491 -18.997 1.00 0.00 H new ATOM 1006 N GLY A 63 -11.303 -0.157 -20.830 1.00 0.00 N ATOM 1007 CA GLY A 63 -11.000 0.443 -22.122 1.00 0.00 C ATOM 1008 C GLY A 63 -11.745 1.765 -22.311 1.00 0.00 C ATOM 1009 O GLY A 63 -12.307 2.019 -23.377 1.00 0.00 O ATOM 0 H GLY A 63 -10.487 -0.288 -20.232 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.926 0.614 -22.203 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.274 -0.248 -22.919 1.00 0.00 H new ATOM 1013 N SER A 64 -11.802 2.574 -21.248 1.00 0.00 N ATOM 1014 CA SER A 64 -12.572 3.808 -21.179 1.00 0.00 C ATOM 1015 C SER A 64 -12.375 4.785 -22.359 1.00 0.00 C ATOM 1016 O SER A 64 -13.388 5.300 -22.840 1.00 0.00 O ATOM 1017 CB SER A 64 -12.270 4.500 -19.841 1.00 0.00 C ATOM 1018 OG SER A 64 -12.260 3.553 -18.782 1.00 0.00 O ATOM 0 H SER A 64 -11.294 2.376 -20.386 1.00 0.00 H new ATOM 0 HA SER A 64 -13.620 3.519 -21.252 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.305 5.004 -19.895 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.019 5.267 -19.644 1.00 0.00 H new ATOM 0 HG SER A 64 -12.065 4.009 -17.937 1.00 0.00 H new ATOM 1024 N PRO A 65 -11.147 5.089 -22.832 1.00 0.00 N ATOM 1025 CA PRO A 65 -10.953 6.216 -23.744 1.00 0.00 C ATOM 1026 C PRO A 65 -11.424 5.899 -25.170 1.00 0.00 C ATOM 1027 O PRO A 65 -12.189 6.671 -25.749 1.00 0.00 O ATOM 1028 CB PRO A 65 -9.453 6.536 -23.685 1.00 0.00 C ATOM 1029 CG PRO A 65 -8.806 5.211 -23.289 1.00 0.00 C ATOM 1030 CD PRO A 65 -9.858 4.567 -22.388 1.00 0.00 C ATOM 0 HA PRO A 65 -11.554 7.075 -23.445 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -9.082 6.889 -24.647 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -9.240 7.317 -22.955 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.588 4.593 -24.160 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -7.864 5.364 -22.763 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.829 3.480 -22.470 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -9.678 4.813 -21.341 1.00 0.00 H new ATOM 1038 N PHE A 66 -10.955 4.780 -25.730 1.00 0.00 N ATOM 1039 CA PHE A 66 -11.193 4.303 -27.093 1.00 0.00 C ATOM 1040 C PHE A 66 -10.422 2.990 -27.223 1.00 0.00 C ATOM 1041 O PHE A 66 -10.999 1.941 -27.509 1.00 0.00 O ATOM 1042 CB PHE A 66 -10.680 5.319 -28.134 1.00 0.00 C ATOM 1043 CG PHE A 66 -10.538 4.774 -29.547 1.00 0.00 C ATOM 1044 CD1 PHE A 66 -11.655 4.733 -30.403 1.00 0.00 C ATOM 1045 CD2 PHE A 66 -9.288 4.311 -30.008 1.00 0.00 C ATOM 1046 CE1 PHE A 66 -11.521 4.244 -31.715 1.00 0.00 C ATOM 1047 CE2 PHE A 66 -9.153 3.837 -31.325 1.00 0.00 C ATOM 1048 CZ PHE A 66 -10.269 3.800 -32.178 1.00 0.00 C ATOM 0 H PHE A 66 -10.358 4.140 -25.206 1.00 0.00 H new ATOM 0 HA PHE A 66 -12.259 4.169 -27.276 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -11.361 6.170 -28.155 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.711 5.695 -27.806 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -12.616 5.078 -30.052 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -8.433 4.321 -29.348 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -12.381 4.209 -32.368 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.190 3.501 -31.681 1.00 0.00 H new ATOM 0 HZ PHE A 66 -10.166 3.431 -33.188 1.00 0.00 H new ATOM 1058 N SER A 67 -9.116 3.062 -26.953 1.00 0.00 N ATOM 1059 CA SER A 67 -8.233 1.921 -26.818 1.00 0.00 C ATOM 1060 C SER A 67 -8.753 1.020 -25.694 1.00 0.00 C ATOM 1061 O SER A 67 -9.251 1.523 -24.679 1.00 0.00 O ATOM 1062 CB SER A 67 -6.833 2.458 -26.520 1.00 0.00 C ATOM 1063 OG SER A 67 -6.476 3.454 -27.476 1.00 0.00 O ATOM 0 H SER A 67 -8.636 3.952 -26.819 1.00 0.00 H new ATOM 0 HA SER A 67 -8.197 1.322 -27.728 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.803 2.880 -25.515 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.110 1.643 -26.545 1.00 0.00 H new ATOM 0 HG SER A 67 -5.655 3.904 -27.188 1.00 0.00 H new ATOM 1069 N LYS A 68 -8.670 -0.299 -25.874 1.00 0.00 N ATOM 1070 CA LYS A 68 -9.282 -1.284 -24.986 1.00 0.00 C ATOM 1071 C LYS A 68 -8.510 -2.591 -25.036 1.00 0.00 C ATOM 1072 O LYS A 68 -7.830 -2.876 -26.025 1.00 0.00 O ATOM 1073 CB LYS A 68 -10.781 -1.455 -25.328 1.00 0.00 C ATOM 1074 CG LYS A 68 -11.151 -1.834 -26.774 1.00 0.00 C ATOM 1075 CD LYS A 68 -11.014 -3.330 -27.106 1.00 0.00 C ATOM 1076 CE LYS A 68 -11.575 -3.684 -28.493 1.00 0.00 C ATOM 1077 NZ LYS A 68 -13.057 -3.582 -28.566 1.00 0.00 N ATOM 0 H LYS A 68 -8.166 -0.718 -26.655 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.232 -0.930 -23.956 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.190 -2.219 -24.667 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.288 -0.521 -25.087 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.180 -1.527 -26.963 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.519 -1.266 -27.456 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.962 -3.613 -27.061 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.534 -3.915 -26.348 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.134 -3.021 -29.237 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.273 -4.699 -28.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.385 -3.945 -29.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.482 -4.143 -27.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.342 -2.587 -28.465 1.00 0.00 H new ATOM 1091 N VAL A 69 -8.633 -3.397 -23.986 1.00 0.00 N ATOM 1092 CA VAL A 69 -8.027 -4.720 -23.929 1.00 0.00 C ATOM 1093 C VAL A 69 -8.993 -5.744 -24.536 1.00 0.00 C ATOM 1094 O VAL A 69 -10.211 -5.548 -24.524 1.00 0.00 O ATOM 1095 CB VAL A 69 -7.617 -5.080 -22.480 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -6.773 -3.969 -21.838 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -8.798 -5.384 -21.544 1.00 0.00 C ATOM 0 H VAL A 69 -9.158 -3.148 -23.148 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.109 -4.729 -24.517 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.034 -5.994 -22.590 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.504 -4.257 -20.822 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.866 -3.816 -22.424 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.349 -3.044 -21.812 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.422 -5.626 -20.550 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.448 -4.511 -21.483 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.363 -6.231 -21.934 1.00 0.00 H new ATOM 1107 N THR A 70 -8.452 -6.868 -24.990 1.00 0.00 N ATOM 1108 CA THR A 70 -9.171 -8.121 -25.191 1.00 0.00 C ATOM 1109 C THR A 70 -8.548 -9.224 -24.314 1.00 0.00 C ATOM 1110 O THR A 70 -9.190 -10.250 -24.082 1.00 0.00 O ATOM 1111 CB THR A 70 -9.210 -8.481 -26.689 1.00 0.00 C ATOM 1112 OG1 THR A 70 -7.913 -8.481 -27.254 1.00 0.00 O ATOM 1113 CG2 THR A 70 -10.052 -7.476 -27.488 1.00 0.00 C ATOM 0 H THR A 70 -7.465 -6.935 -25.237 1.00 0.00 H new ATOM 0 HA THR A 70 -10.209 -8.013 -24.876 1.00 0.00 H new ATOM 0 HB THR A 70 -9.651 -9.476 -26.748 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.970 -8.714 -28.204 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.057 -7.761 -28.540 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.073 -7.473 -27.108 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.624 -6.479 -27.384 1.00 0.00 H new ATOM 1121 N ASP A 71 -7.347 -9.004 -23.757 1.00 0.00 N ATOM 1122 CA ASP A 71 -6.744 -9.834 -22.719 1.00 0.00 C ATOM 1123 C ASP A 71 -5.895 -8.942 -21.816 1.00 0.00 C ATOM 1124 O ASP A 71 -5.212 -8.034 -22.298 1.00 0.00 O ATOM 1125 CB ASP A 71 -5.861 -10.925 -23.339 1.00 0.00 C ATOM 1126 CG ASP A 71 -5.144 -11.734 -22.246 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -5.767 -12.650 -21.666 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.959 -11.441 -21.972 1.00 0.00 O ATOM 0 H ASP A 71 -6.756 -8.218 -24.029 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.533 -10.319 -22.144 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.472 -11.591 -23.949 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.126 -10.470 -24.003 1.00 0.00 H new ATOM 1133 N ILE A 72 -5.923 -9.213 -20.513 1.00 0.00 N ATOM 1134 CA ILE A 72 -5.151 -8.519 -19.494 1.00 0.00 C ATOM 1135 C ILE A 72 -4.613 -9.589 -18.541 1.00 0.00 C ATOM 1136 O ILE A 72 -5.345 -10.505 -18.152 1.00 0.00 O ATOM 1137 CB ILE A 72 -6.011 -7.418 -18.810 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -5.234 -6.751 -17.649 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -7.396 -7.903 -18.335 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -5.797 -5.388 -17.215 1.00 0.00 C ATOM 0 H ILE A 72 -6.509 -9.953 -20.126 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.303 -7.977 -19.913 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.208 -6.677 -19.585 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.238 -7.423 -16.791 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.194 -6.623 -17.949 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.931 -7.075 -17.870 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.966 -8.269 -19.189 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.271 -8.707 -17.610 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.196 -4.989 -16.398 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.768 -4.697 -18.058 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.828 -5.510 -16.881 1.00 0.00 H new ATOM 1152 N SER A 73 -3.338 -9.471 -18.175 1.00 0.00 N ATOM 1153 CA SER A 73 -2.643 -10.358 -17.254 1.00 0.00 C ATOM 1154 C SER A 73 -1.902 -9.477 -16.251 1.00 0.00 C ATOM 1155 O SER A 73 -1.378 -8.423 -16.622 1.00 0.00 O ATOM 1156 CB SER A 73 -1.678 -11.254 -18.043 1.00 0.00 C ATOM 1157 OG SER A 73 -2.368 -12.065 -18.982 1.00 0.00 O ATOM 0 H SER A 73 -2.740 -8.724 -18.528 1.00 0.00 H new ATOM 0 HA SER A 73 -3.334 -11.012 -16.722 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.948 -10.634 -18.564 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.122 -11.888 -17.352 1.00 0.00 H new ATOM 0 HG SER A 73 -1.725 -12.622 -19.468 1.00 0.00 H new ATOM 1163 N VAL A 74 -1.886 -9.881 -14.979 1.00 0.00 N ATOM 1164 CA VAL A 74 -1.441 -9.050 -13.866 1.00 0.00 C ATOM 1165 C VAL A 74 -0.639 -9.930 -12.902 1.00 0.00 C ATOM 1166 O VAL A 74 -0.978 -11.097 -12.681 1.00 0.00 O ATOM 1167 CB VAL A 74 -2.665 -8.406 -13.158 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -2.242 -7.426 -12.047 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -3.605 -7.676 -14.137 1.00 0.00 C ATOM 0 H VAL A 74 -2.188 -10.812 -14.692 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.808 -8.238 -14.224 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.208 -9.240 -12.714 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.130 -7.000 -11.580 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.657 -7.957 -11.297 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.639 -6.626 -12.477 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.442 -7.246 -13.586 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.057 -6.881 -14.643 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.982 -8.384 -14.875 1.00 0.00 H new ATOM 1179 N THR A 75 0.379 -9.337 -12.287 1.00 0.00 N ATOM 1180 CA THR A 75 1.041 -9.816 -11.085 1.00 0.00 C ATOM 1181 C THR A 75 1.022 -8.616 -10.133 1.00 0.00 C ATOM 1182 O THR A 75 1.181 -7.477 -10.581 1.00 0.00 O ATOM 1183 CB THR A 75 2.470 -10.283 -11.431 1.00 0.00 C ATOM 1184 OG1 THR A 75 2.454 -11.205 -12.509 1.00 0.00 O ATOM 1185 CG2 THR A 75 3.165 -10.962 -10.245 1.00 0.00 C ATOM 0 H THR A 75 0.782 -8.466 -12.633 1.00 0.00 H new ATOM 0 HA THR A 75 0.554 -10.677 -10.628 1.00 0.00 H new ATOM 0 HB THR A 75 3.022 -9.383 -11.702 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.370 -11.486 -12.712 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.167 -11.272 -10.540 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.232 -10.261 -9.413 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.590 -11.836 -9.938 1.00 0.00 H new ATOM 1193 N GLU A 76 0.791 -8.831 -8.840 1.00 0.00 N ATOM 1194 CA GLU A 76 0.658 -7.744 -7.880 1.00 0.00 C ATOM 1195 C GLU A 76 1.258 -8.196 -6.553 1.00 0.00 C ATOM 1196 O GLU A 76 0.998 -9.313 -6.090 1.00 0.00 O ATOM 1197 CB GLU A 76 -0.822 -7.361 -7.748 1.00 0.00 C ATOM 1198 CG GLU A 76 -0.999 -6.052 -6.974 1.00 0.00 C ATOM 1199 CD GLU A 76 -2.483 -5.711 -6.811 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -3.125 -6.207 -5.860 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -3.019 -4.933 -7.630 1.00 0.00 O ATOM 0 H GLU A 76 0.691 -9.761 -8.432 1.00 0.00 H new ATOM 0 HA GLU A 76 1.195 -6.856 -8.213 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.262 -7.260 -8.740 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.361 -8.160 -7.240 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.532 -6.139 -5.993 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.491 -5.243 -7.499 1.00 0.00 H new ATOM 1208 N SER A 77 2.059 -7.324 -5.947 1.00 0.00 N ATOM 1209 CA SER A 77 3.002 -7.677 -4.901 1.00 0.00 C ATOM 1210 C SER A 77 2.992 -6.611 -3.808 1.00 0.00 C ATOM 1211 O SER A 77 2.649 -5.454 -4.053 1.00 0.00 O ATOM 1212 CB SER A 77 4.403 -7.816 -5.522 1.00 0.00 C ATOM 1213 OG SER A 77 4.403 -8.753 -6.591 1.00 0.00 O ATOM 0 H SER A 77 2.067 -6.331 -6.178 1.00 0.00 H new ATOM 0 HA SER A 77 2.718 -8.626 -4.446 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.740 -6.845 -5.886 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.112 -8.133 -4.757 1.00 0.00 H new ATOM 0 HG SER A 77 5.305 -8.820 -6.968 1.00 0.00 H new ATOM 1219 N ARG A 78 3.390 -7.002 -2.594 1.00 0.00 N ATOM 1220 CA ARG A 78 3.606 -6.079 -1.476 1.00 0.00 C ATOM 1221 C ARG A 78 4.988 -5.414 -1.574 1.00 0.00 C ATOM 1222 O ARG A 78 5.311 -4.533 -0.777 1.00 0.00 O ATOM 1223 CB ARG A 78 3.390 -6.821 -0.140 1.00 0.00 C ATOM 1224 CG ARG A 78 1.910 -6.975 0.276 1.00 0.00 C ATOM 1225 CD ARG A 78 0.958 -7.633 -0.738 1.00 0.00 C ATOM 1226 NE ARG A 78 1.375 -8.998 -1.122 1.00 0.00 N ATOM 1227 CZ ARG A 78 1.142 -9.587 -2.304 1.00 0.00 C ATOM 1228 NH1 ARG A 78 0.400 -8.991 -3.234 1.00 0.00 N ATOM 1229 NH2 ARG A 78 1.691 -10.767 -2.571 1.00 0.00 N ATOM 0 H ARG A 78 3.573 -7.977 -2.357 1.00 0.00 H new ATOM 0 HA ARG A 78 2.876 -5.271 -1.523 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.839 -7.812 -0.213 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.922 -6.287 0.648 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.877 -7.557 1.197 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.521 -5.984 0.511 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.045 -7.672 -0.314 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.902 -7.011 -1.632 1.00 0.00 H new ATOM 0 HE ARG A 78 1.886 -9.541 -0.426 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.002 -8.071 -3.053 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.233 -9.454 -4.127 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.287 -11.221 -1.878 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.517 -11.219 -3.469 1.00 0.00 H new ATOM 1243 N SER A 79 5.807 -5.815 -2.547 1.00 0.00 N ATOM 1244 CA SER A 79 6.950 -5.059 -3.027 1.00 0.00 C ATOM 1245 C SER A 79 6.502 -3.680 -3.541 1.00 0.00 C ATOM 1246 O SER A 79 5.322 -3.454 -3.809 1.00 0.00 O ATOM 1247 CB SER A 79 7.626 -5.855 -4.155 1.00 0.00 C ATOM 1248 OG SER A 79 7.681 -7.243 -3.845 1.00 0.00 O ATOM 0 H SER A 79 5.684 -6.703 -3.034 1.00 0.00 H new ATOM 0 HA SER A 79 7.656 -4.902 -2.212 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.077 -5.709 -5.086 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.635 -5.476 -4.317 1.00 0.00 H new ATOM 0 HG SER A 79 8.114 -7.725 -4.580 1.00 0.00 H new ATOM 1254 N LEU A 80 7.459 -2.776 -3.733 1.00 0.00 N ATOM 1255 CA LEU A 80 7.321 -1.513 -4.450 1.00 0.00 C ATOM 1256 C LEU A 80 8.707 -1.089 -4.941 1.00 0.00 C ATOM 1257 O LEU A 80 9.722 -1.612 -4.474 1.00 0.00 O ATOM 1258 CB LEU A 80 6.657 -0.412 -3.598 1.00 0.00 C ATOM 1259 CG LEU A 80 7.310 -0.125 -2.228 1.00 0.00 C ATOM 1260 CD1 LEU A 80 7.083 1.337 -1.834 1.00 0.00 C ATOM 1261 CD2 LEU A 80 6.720 -1.019 -1.126 1.00 0.00 C ATOM 0 H LEU A 80 8.403 -2.913 -3.372 1.00 0.00 H new ATOM 0 HA LEU A 80 6.652 -1.660 -5.298 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.652 0.512 -4.176 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.616 -0.689 -3.430 1.00 0.00 H new ATOM 0 HG LEU A 80 8.375 -0.334 -2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.547 1.529 -0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.527 1.990 -2.586 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.013 1.534 -1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.202 -0.791 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.649 -0.835 -1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.890 -2.066 -1.377 1.00 0.00 H new ATOM 1273 N GLU A 81 8.751 -0.165 -5.900 1.00 0.00 N ATOM 1274 CA GLU A 81 9.980 0.217 -6.590 1.00 0.00 C ATOM 1275 C GLU A 81 10.828 1.183 -5.752 1.00 0.00 C ATOM 1276 O GLU A 81 12.053 1.190 -5.879 1.00 0.00 O ATOM 1277 CB GLU A 81 9.639 0.871 -7.944 1.00 0.00 C ATOM 1278 CG GLU A 81 8.779 -0.007 -8.866 1.00 0.00 C ATOM 1279 CD GLU A 81 9.407 -1.393 -9.091 1.00 0.00 C ATOM 1280 OE1 GLU A 81 10.426 -1.495 -9.812 1.00 0.00 O ATOM 1281 OE2 GLU A 81 8.879 -2.384 -8.541 1.00 0.00 O ATOM 0 H GLU A 81 7.927 0.343 -6.222 1.00 0.00 H new ATOM 0 HA GLU A 81 10.564 -0.689 -6.751 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.115 1.809 -7.760 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.567 1.120 -8.459 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.786 -0.125 -8.432 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.650 0.493 -9.826 1.00 0.00 H new ATOM 1288 N GLY A 82 10.188 1.998 -4.908 1.00 0.00 N ATOM 1289 CA GLY A 82 10.804 3.189 -4.343 1.00 0.00 C ATOM 1290 C GLY A 82 10.883 4.257 -5.434 1.00 0.00 C ATOM 1291 O GLY A 82 11.979 4.714 -5.763 1.00 0.00 O ATOM 0 H GLY A 82 9.227 1.845 -4.601 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.220 3.553 -3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.800 2.958 -3.966 1.00 0.00 H new ATOM 1295 N HIS A 83 9.740 4.567 -6.062 1.00 0.00 N ATOM 1296 CA HIS A 83 9.644 5.450 -7.223 1.00 0.00 C ATOM 1297 C HIS A 83 10.350 6.802 -7.020 1.00 0.00 C ATOM 1298 O HIS A 83 10.407 7.335 -5.907 1.00 0.00 O ATOM 1299 CB HIS A 83 8.170 5.679 -7.608 1.00 0.00 C ATOM 1300 CG HIS A 83 7.451 6.718 -6.773 1.00 0.00 C ATOM 1301 ND1 HIS A 83 6.827 6.524 -5.562 1.00 0.00 N ATOM 1302 CD2 HIS A 83 7.298 8.045 -7.087 1.00 0.00 C ATOM 1303 CE1 HIS A 83 6.312 7.696 -5.158 1.00 0.00 C ATOM 1304 NE2 HIS A 83 6.574 8.663 -6.058 1.00 0.00 N ATOM 0 H HIS A 83 8.836 4.199 -5.766 1.00 0.00 H new ATOM 0 HA HIS A 83 10.163 4.942 -8.035 1.00 0.00 H new ATOM 0 HB2 HIS A 83 8.125 5.979 -8.655 1.00 0.00 H new ATOM 0 HB3 HIS A 83 7.636 4.733 -7.525 1.00 0.00 H new ATOM 0 HD1 HIS A 83 6.766 5.640 -5.057 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.672 8.531 -7.976 1.00 0.00 H new ATOM 0 HE1 HIS A 83 5.764 7.843 -4.239 1.00 0.00 H new ATOM 1312 N HIS A 84 10.776 7.400 -8.139 1.00 0.00 N ATOM 1313 CA HIS A 84 11.207 8.798 -8.230 1.00 0.00 C ATOM 1314 C HIS A 84 10.629 9.493 -9.479 1.00 0.00 C ATOM 1315 O HIS A 84 10.853 10.689 -9.674 1.00 0.00 O ATOM 1316 CB HIS A 84 12.746 8.868 -8.238 1.00 0.00 C ATOM 1317 CG HIS A 84 13.401 8.436 -6.948 1.00 0.00 C ATOM 1318 ND1 HIS A 84 13.559 9.207 -5.815 1.00 0.00 N ATOM 1319 CD2 HIS A 84 13.990 7.225 -6.696 1.00 0.00 C ATOM 1320 CE1 HIS A 84 14.225 8.477 -4.904 1.00 0.00 C ATOM 1321 NE2 HIS A 84 14.516 7.257 -5.395 1.00 0.00 N ATOM 0 H HIS A 84 10.832 6.909 -9.031 1.00 0.00 H new ATOM 0 HA HIS A 84 10.825 9.328 -7.358 1.00 0.00 H new ATOM 0 HB2 HIS A 84 13.121 8.242 -9.048 1.00 0.00 H new ATOM 0 HB3 HIS A 84 13.049 9.891 -8.459 1.00 0.00 H new ATOM 0 HD2 HIS A 84 14.041 6.391 -7.380 1.00 0.00 H new ATOM 0 HE1 HIS A 84 14.490 8.821 -3.915 1.00 0.00 H new ATOM 0 HE2 HIS A 84 15.017 6.508 -4.918 1.00 0.00 H new ATOM 1329 N ARG A 85 9.905 8.766 -10.342 1.00 0.00 N ATOM 1330 CA ARG A 85 9.358 9.249 -11.612 1.00 0.00 C ATOM 1331 C ARG A 85 8.170 8.375 -12.011 1.00 0.00 C ATOM 1332 O ARG A 85 7.955 7.320 -11.411 1.00 0.00 O ATOM 1333 CB ARG A 85 10.457 9.235 -12.701 1.00 0.00 C ATOM 1334 CG ARG A 85 11.108 7.855 -12.927 1.00 0.00 C ATOM 1335 CD ARG A 85 12.199 7.926 -14.003 1.00 0.00 C ATOM 1336 NE ARG A 85 12.988 6.682 -14.058 1.00 0.00 N ATOM 1337 CZ ARG A 85 12.664 5.547 -14.693 1.00 0.00 C ATOM 1338 NH1 ARG A 85 11.526 5.441 -15.375 1.00 0.00 N ATOM 1339 NH2 ARG A 85 13.491 4.509 -14.639 1.00 0.00 N ATOM 0 H ARG A 85 9.677 7.788 -10.165 1.00 0.00 H new ATOM 0 HA ARG A 85 9.012 10.277 -11.501 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.025 9.578 -13.641 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.233 9.950 -12.427 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.538 7.495 -11.992 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.346 7.135 -13.225 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.741 8.110 -14.975 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.860 8.768 -13.797 1.00 0.00 H new ATOM 0 HE ARG A 85 13.877 6.685 -13.558 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.883 6.232 -15.421 1.00 0.00 H new ATOM 0 HH12 ARG A 85 11.297 4.569 -15.852 1.00 0.00 H new ATOM 0 HH21 ARG A 85 14.365 4.580 -14.117 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.252 3.641 -15.119 1.00 0.00 H new ATOM 1353 N PHE A 86 7.455 8.776 -13.059 1.00 0.00 N ATOM 1354 CA PHE A 86 6.544 7.919 -13.803 1.00 0.00 C ATOM 1355 C PHE A 86 6.742 8.252 -15.282 1.00 0.00 C ATOM 1356 O PHE A 86 7.001 9.413 -15.616 1.00 0.00 O ATOM 1357 CB PHE A 86 5.092 8.082 -13.319 1.00 0.00 C ATOM 1358 CG PHE A 86 4.406 9.409 -13.605 1.00 0.00 C ATOM 1359 CD1 PHE A 86 4.766 10.568 -12.887 1.00 0.00 C ATOM 1360 CD2 PHE A 86 3.363 9.478 -14.551 1.00 0.00 C ATOM 1361 CE1 PHE A 86 4.106 11.786 -13.129 1.00 0.00 C ATOM 1362 CE2 PHE A 86 2.698 10.695 -14.787 1.00 0.00 C ATOM 1363 CZ PHE A 86 3.073 11.852 -14.081 1.00 0.00 C ATOM 0 H PHE A 86 7.496 9.729 -13.421 1.00 0.00 H new ATOM 0 HA PHE A 86 6.761 6.864 -13.639 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.495 7.290 -13.770 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.075 7.919 -12.241 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.552 10.520 -12.148 1.00 0.00 H new ATOM 0 HD2 PHE A 86 3.073 8.592 -15.097 1.00 0.00 H new ATOM 0 HE1 PHE A 86 4.393 12.672 -12.583 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.898 10.741 -15.511 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.569 12.789 -14.269 1.00 0.00 H new ATOM 1373 N SER A 87 6.722 7.238 -16.151 1.00 0.00 N ATOM 1374 CA SER A 87 7.478 7.295 -17.400 1.00 0.00 C ATOM 1375 C SER A 87 6.808 6.520 -18.535 1.00 0.00 C ATOM 1376 O SER A 87 6.090 5.537 -18.318 1.00 0.00 O ATOM 1377 CB SER A 87 8.885 6.730 -17.147 1.00 0.00 C ATOM 1378 OG SER A 87 9.519 7.366 -16.042 1.00 0.00 O ATOM 0 H SER A 87 6.195 6.376 -16.013 1.00 0.00 H new ATOM 0 HA SER A 87 7.524 8.337 -17.716 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.818 5.658 -16.960 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.495 6.860 -18.041 1.00 0.00 H new ATOM 0 HG SER A 87 10.023 8.145 -16.358 1.00 0.00 H new ATOM 1384 N ILE A 88 7.095 6.938 -19.764 1.00 0.00 N ATOM 1385 CA ILE A 88 6.577 6.337 -20.979 1.00 0.00 C ATOM 1386 C ILE A 88 7.806 5.947 -21.799 1.00 0.00 C ATOM 1387 O ILE A 88 8.590 6.808 -22.201 1.00 0.00 O ATOM 1388 CB ILE A 88 5.640 7.322 -21.725 1.00 0.00 C ATOM 1389 CG1 ILE A 88 4.500 7.851 -20.821 1.00 0.00 C ATOM 1390 CG2 ILE A 88 5.053 6.608 -22.950 1.00 0.00 C ATOM 1391 CD1 ILE A 88 3.506 8.790 -21.519 1.00 0.00 C ATOM 0 H ILE A 88 7.714 7.729 -19.943 1.00 0.00 H new ATOM 0 HA ILE A 88 5.962 5.460 -20.780 1.00 0.00 H new ATOM 0 HB ILE A 88 6.227 8.188 -22.030 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.952 7.000 -20.417 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.941 8.377 -19.974 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.391 7.289 -23.485 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.861 6.294 -23.610 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.489 5.734 -22.626 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.745 9.108 -20.807 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.036 9.664 -21.899 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.031 8.266 -22.348 1.00 0.00 H new ATOM 1403 N VAL A 89 7.991 4.648 -22.018 1.00 0.00 N ATOM 1404 CA VAL A 89 8.907 4.132 -23.023 1.00 0.00 C ATOM 1405 C VAL A 89 8.176 4.304 -24.359 1.00 0.00 C ATOM 1406 O VAL A 89 6.996 3.951 -24.469 1.00 0.00 O ATOM 1407 CB VAL A 89 9.254 2.658 -22.714 1.00 0.00 C ATOM 1408 CG1 VAL A 89 10.361 2.145 -23.646 1.00 0.00 C ATOM 1409 CG2 VAL A 89 9.702 2.443 -21.255 1.00 0.00 C ATOM 0 H VAL A 89 7.503 3.920 -21.496 1.00 0.00 H new ATOM 0 HA VAL A 89 9.861 4.658 -23.044 1.00 0.00 H new ATOM 0 HB VAL A 89 8.334 2.097 -22.877 1.00 0.00 H new ATOM 0 HG11 VAL A 89 10.585 1.106 -23.407 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.027 2.215 -24.681 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.258 2.750 -23.513 1.00 0.00 H new ATOM 0 HG21 VAL A 89 9.932 1.389 -21.097 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.590 3.043 -21.055 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.901 2.745 -20.580 1.00 0.00 H new ATOM 1419 N TYR A 90 8.849 4.846 -25.374 1.00 0.00 N ATOM 1420 CA TYR A 90 8.233 5.248 -26.641 1.00 0.00 C ATOM 1421 C TYR A 90 8.478 4.198 -27.739 1.00 0.00 C ATOM 1422 O TYR A 90 8.621 4.543 -28.916 1.00 0.00 O ATOM 1423 CB TYR A 90 8.728 6.654 -27.026 1.00 0.00 C ATOM 1424 CG TYR A 90 8.410 7.732 -26.003 1.00 0.00 C ATOM 1425 CD1 TYR A 90 7.073 8.125 -25.790 1.00 0.00 C ATOM 1426 CD2 TYR A 90 9.443 8.344 -25.268 1.00 0.00 C ATOM 1427 CE1 TYR A 90 6.768 9.116 -24.841 1.00 0.00 C ATOM 1428 CE2 TYR A 90 9.146 9.339 -24.319 1.00 0.00 C ATOM 1429 CZ TYR A 90 7.803 9.724 -24.095 1.00 0.00 C ATOM 1430 OH TYR A 90 7.494 10.680 -23.173 1.00 0.00 O ATOM 0 H TYR A 90 9.853 5.021 -25.340 1.00 0.00 H new ATOM 0 HA TYR A 90 7.151 5.300 -26.522 1.00 0.00 H new ATOM 0 HB2 TYR A 90 9.807 6.618 -27.175 1.00 0.00 H new ATOM 0 HB3 TYR A 90 8.284 6.934 -27.981 1.00 0.00 H new ATOM 0 HD1 TYR A 90 6.280 7.663 -26.358 1.00 0.00 H new ATOM 0 HD2 TYR A 90 10.468 8.048 -25.434 1.00 0.00 H new ATOM 0 HE1 TYR A 90 5.742 9.413 -24.682 1.00 0.00 H new ATOM 0 HE2 TYR A 90 9.943 9.809 -23.762 1.00 0.00 H new ATOM 0 HH TYR A 90 8.316 10.999 -22.744 1.00 0.00 H new ATOM 1440 N SER A 91 8.575 2.919 -27.359 1.00 0.00 N ATOM 1441 CA SER A 91 8.704 1.802 -28.285 1.00 0.00 C ATOM 1442 C SER A 91 7.560 1.803 -29.302 1.00 0.00 C ATOM 1443 O SER A 91 7.832 1.598 -30.504 1.00 0.00 O ATOM 1444 CB SER A 91 8.805 0.483 -27.508 1.00 0.00 C ATOM 1445 OG SER A 91 8.087 0.495 -26.281 1.00 0.00 O ATOM 1446 OXT SER A 91 6.399 2.016 -28.893 1.00 0.00 O ATOM 0 H SER A 91 8.565 2.632 -26.380 1.00 0.00 H new ATOM 0 HA SER A 91 9.625 1.912 -28.857 1.00 0.00 H new ATOM 0 HB2 SER A 91 8.430 -0.328 -28.132 1.00 0.00 H new ATOM 0 HB3 SER A 91 9.854 0.269 -27.305 1.00 0.00 H new ATOM 0 HG SER A 91 7.742 -0.403 -26.095 1.00 0.00 H new TER 1452 SER A 91