USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 760 hydrogens (30 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 26 GLN : amide:sc= -0.583 K(o=-0.24,f=-1.2) USER MOD Set 1.2: A 108 THR OG1 : rot 180:sc= 0.34 USER MOD Set 2.1: A 53 MET CE :methyl -167:sc= -0.129 (180deg=-0.996) USER MOD Set 2.2: A 99 TYR OH : rot -83:sc= 0.0169 USER MOD Set 3.1: A 73 MET CE :methyl 167:sc= -0.0152 (180deg=-0.278) USER MOD Set 3.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 68 GLN : amide:sc= -2.8! C(o=-2.3!,f=-3.5!) USER MOD Set 4.2: A 69 GLN : amide:sc= 0.524 K(o=-2.3,f=-4) USER MOD Set 5.1: A 61 MET CE :methyl -169:sc= -0.353 (180deg=-0.631) USER MOD Set 5.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 59 TYR OH : rot 1:sc= 1.76 USER MOD Set 6.2: A 63 LYS NZ :NH3+ -164:sc= 1.57 (180deg=0.961) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.084) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.0044) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0207 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc=-0.00693 X(o=-0.0069,f=-0.11) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.519 K(o=0.52,f=-0.58) USER MOD Single : A 64 GLN : amide:sc= 0.258 X(o=0.26,f=0) USER MOD Single : A 71 GLN : amide:sc= 0.526 K(o=0.53,f=-3.8!) USER MOD Single : A 72 HIS : no HD1:sc= -0.0758 X(o=-0.076,f=-0.51) USER MOD Single : A 76 CYS SG : rot 39:sc= 0.096 USER MOD Single : A 88 GLN : amide:sc= 0.737 K(o=0.74,f=-4.3!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.376 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0.0265 USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.696 K(o=-0.7,f=-1.2) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 14.878 5.294 8.858 1.00 0.00 N ATOM 2 CA GLN A 23 14.471 4.105 9.618 1.00 0.00 C ATOM 3 C GLN A 23 13.190 3.430 9.082 1.00 0.00 C ATOM 4 O GLN A 23 12.493 2.703 9.797 1.00 0.00 O ATOM 5 CB GLN A 23 14.422 4.431 11.125 1.00 0.00 C ATOM 6 CG GLN A 23 13.351 5.470 11.505 1.00 0.00 C ATOM 7 CD GLN A 23 13.332 5.733 13.010 1.00 0.00 C ATOM 8 OE1 GLN A 23 13.886 6.706 13.510 1.00 0.00 O ATOM 9 NE2 GLN A 23 12.708 4.879 13.799 1.00 0.00 N ATOM 0 HA GLN A 23 15.235 3.342 9.471 1.00 0.00 H new ATOM 0 HB2 GLN A 23 14.235 3.511 11.680 1.00 0.00 H new ATOM 0 HB3 GLN A 23 15.399 4.799 11.439 1.00 0.00 H new ATOM 0 HG2 GLN A 23 13.543 6.403 10.974 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.371 5.117 11.184 1.00 0.00 H new ATOM 0 HE21 GLN A 23 12.242 4.064 13.401 1.00 0.00 H new ATOM 0 HE22 GLN A 23 12.692 5.034 14.807 1.00 0.00 H new ATOM 18 N ILE A 24 12.884 3.682 7.808 1.00 0.00 N ATOM 19 CA ILE A 24 11.694 3.241 7.071 1.00 0.00 C ATOM 20 C ILE A 24 12.063 2.481 5.786 1.00 0.00 C ATOM 21 O ILE A 24 13.207 2.511 5.334 1.00 0.00 O ATOM 22 CB ILE A 24 10.783 4.450 6.762 1.00 0.00 C ATOM 23 CG1 ILE A 24 11.541 5.648 6.125 1.00 0.00 C ATOM 24 CG2 ILE A 24 10.013 4.881 8.019 1.00 0.00 C ATOM 25 CD1 ILE A 24 10.670 6.871 5.802 1.00 0.00 C ATOM 0 H ILE A 24 13.504 4.239 7.221 1.00 0.00 H new ATOM 0 HA ILE A 24 11.147 2.542 7.704 1.00 0.00 H new ATOM 0 HB ILE A 24 10.070 4.117 6.008 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.337 5.957 6.803 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.019 5.309 5.206 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.377 5.734 7.782 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.395 4.054 8.369 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.720 5.162 8.800 1.00 0.00 H new ATOM 0 HD11 ILE A 24 11.289 7.653 5.362 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.890 6.586 5.097 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.212 7.244 6.718 1.00 0.00 H new ATOM 37 N ASN A 25 11.071 1.843 5.146 1.00 0.00 N ATOM 38 CA ASN A 25 11.236 1.036 3.920 1.00 0.00 C ATOM 39 C ASN A 25 11.385 1.872 2.621 1.00 0.00 C ATOM 40 O ASN A 25 11.041 1.429 1.528 1.00 0.00 O ATOM 41 CB ASN A 25 10.106 -0.025 3.872 1.00 0.00 C ATOM 42 CG ASN A 25 10.398 -1.289 4.677 1.00 0.00 C ATOM 43 OD1 ASN A 25 10.304 -2.404 4.183 1.00 0.00 O ATOM 44 ND2 ASN A 25 10.750 -1.180 5.939 1.00 0.00 N ATOM 0 H ASN A 25 10.105 1.873 5.473 1.00 0.00 H new ATOM 0 HA ASN A 25 12.195 0.520 3.969 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.185 0.424 4.244 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.928 -0.303 2.833 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.940 -2.017 6.490 1.00 0.00 H new ATOM 0 HD22 ASN A 25 10.833 -0.258 6.367 1.00 0.00 H new ATOM 51 N GLN A 26 11.911 3.089 2.753 1.00 0.00 N ATOM 52 CA GLN A 26 11.929 4.186 1.770 1.00 0.00 C ATOM 53 C GLN A 26 13.338 4.714 1.453 1.00 0.00 C ATOM 54 O GLN A 26 14.344 4.169 1.912 1.00 0.00 O ATOM 55 CB GLN A 26 11.005 5.325 2.254 1.00 0.00 C ATOM 56 CG GLN A 26 9.732 4.870 2.987 1.00 0.00 C ATOM 57 CD GLN A 26 8.888 3.865 2.205 1.00 0.00 C ATOM 58 OE1 GLN A 26 8.932 3.774 0.987 1.00 0.00 O ATOM 59 NE2 GLN A 26 8.120 3.045 2.887 1.00 0.00 N ATOM 0 H GLN A 26 12.375 3.361 3.619 1.00 0.00 H new ATOM 0 HA GLN A 26 11.558 3.778 0.830 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.574 5.975 2.918 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.714 5.926 1.392 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.014 4.426 3.942 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.122 5.745 3.210 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.077 3.114 3.904 1.00 0.00 H new ATOM 0 HE22 GLN A 26 7.567 2.340 2.400 1.00 0.00 H new ATOM 68 N VAL A 27 13.398 5.768 0.630 1.00 0.00 N ATOM 69 CA VAL A 27 14.648 6.399 0.169 1.00 0.00 C ATOM 70 C VAL A 27 15.101 7.513 1.128 1.00 0.00 C ATOM 71 O VAL A 27 14.427 7.781 2.121 1.00 0.00 O ATOM 72 CB VAL A 27 14.536 6.898 -1.299 1.00 0.00 C ATOM 73 CG1 VAL A 27 14.908 5.774 -2.261 1.00 0.00 C ATOM 74 CG2 VAL A 27 13.163 7.421 -1.744 1.00 0.00 C ATOM 0 H VAL A 27 12.563 6.218 0.256 1.00 0.00 H new ATOM 0 HA VAL A 27 15.424 5.633 0.179 1.00 0.00 H new ATOM 0 HB VAL A 27 15.220 7.746 -1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.827 6.132 -3.287 1.00 0.00 H new ATOM 0 HG12 VAL A 27 15.932 5.454 -2.068 1.00 0.00 H new ATOM 0 HG13 VAL A 27 14.231 4.932 -2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.215 7.739 -2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.421 6.629 -1.643 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.877 8.268 -1.120 1.00 0.00 H new ATOM 84 N ARG A 28 16.314 8.046 0.895 1.00 0.00 N ATOM 85 CA ARG A 28 16.989 9.190 1.551 1.00 0.00 C ATOM 86 C ARG A 28 18.168 9.605 0.632 1.00 0.00 C ATOM 87 O ARG A 28 18.903 8.718 0.194 1.00 0.00 O ATOM 88 CB ARG A 28 17.503 8.715 2.936 1.00 0.00 C ATOM 89 CG ARG A 28 18.052 9.742 3.946 1.00 0.00 C ATOM 90 CD ARG A 28 19.283 10.567 3.550 1.00 0.00 C ATOM 91 NE ARG A 28 19.924 11.155 4.744 1.00 0.00 N ATOM 92 CZ ARG A 28 20.987 11.941 4.781 1.00 0.00 C ATOM 93 NH1 ARG A 28 21.601 12.347 3.705 1.00 0.00 N ATOM 94 NH2 ARG A 28 21.462 12.344 5.925 1.00 0.00 N ATOM 0 H ARG A 28 16.910 7.648 0.169 1.00 0.00 H new ATOM 0 HA ARG A 28 16.323 10.040 1.701 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.683 8.187 3.423 1.00 0.00 H new ATOM 0 HB3 ARG A 28 18.291 7.983 2.756 1.00 0.00 H new ATOM 0 HG2 ARG A 28 17.247 10.438 4.182 1.00 0.00 H new ATOM 0 HG3 ARG A 28 18.292 9.208 4.866 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.997 9.934 3.023 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.990 11.359 2.861 1.00 0.00 H new ATOM 0 HE ARG A 28 19.498 10.929 5.643 1.00 0.00 H new ATOM 0 HH11 ARG A 28 21.265 12.059 2.786 1.00 0.00 H new ATOM 0 HH12 ARG A 28 22.418 12.953 3.782 1.00 0.00 H new ATOM 0 HH21 ARG A 28 21.014 12.053 6.794 1.00 0.00 H new ATOM 0 HH22 ARG A 28 22.282 12.950 5.952 1.00 0.00 H new ATOM 108 N PRO A 29 18.363 10.899 0.311 1.00 0.00 N ATOM 109 CA PRO A 29 19.307 11.333 -0.729 1.00 0.00 C ATOM 110 C PRO A 29 20.660 11.844 -0.207 1.00 0.00 C ATOM 111 O PRO A 29 20.867 12.024 0.995 1.00 0.00 O ATOM 112 CB PRO A 29 18.555 12.478 -1.420 1.00 0.00 C ATOM 113 CG PRO A 29 17.901 13.179 -0.232 1.00 0.00 C ATOM 114 CD PRO A 29 17.486 12.010 0.660 1.00 0.00 C ATOM 0 HA PRO A 29 19.578 10.493 -1.369 1.00 0.00 H new ATOM 0 HB2 PRO A 29 19.228 13.139 -1.966 1.00 0.00 H new ATOM 0 HB3 PRO A 29 17.819 12.111 -2.135 1.00 0.00 H new ATOM 0 HG2 PRO A 29 18.595 13.849 0.275 1.00 0.00 H new ATOM 0 HG3 PRO A 29 17.044 13.779 -0.538 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.588 12.270 1.714 1.00 0.00 H new ATOM 0 HD3 PRO A 29 16.441 11.747 0.496 1.00 0.00 H new ATOM 122 N LYS A 30 21.552 12.136 -1.161 1.00 0.00 N ATOM 123 CA LYS A 30 22.811 12.889 -0.998 1.00 0.00 C ATOM 124 C LYS A 30 22.555 14.314 -1.521 1.00 0.00 C ATOM 125 O LYS A 30 21.630 14.505 -2.309 1.00 0.00 O ATOM 126 CB LYS A 30 23.940 12.149 -1.749 1.00 0.00 C ATOM 127 CG LYS A 30 25.338 12.724 -1.461 1.00 0.00 C ATOM 128 CD LYS A 30 26.425 12.050 -2.311 1.00 0.00 C ATOM 129 CE LYS A 30 27.784 12.749 -2.141 1.00 0.00 C ATOM 130 NZ LYS A 30 28.433 12.433 -0.836 1.00 0.00 N ATOM 0 H LYS A 30 21.410 11.837 -2.126 1.00 0.00 H new ATOM 0 HA LYS A 30 23.131 12.959 0.042 1.00 0.00 H new ATOM 0 HB2 LYS A 30 23.923 11.095 -1.470 1.00 0.00 H new ATOM 0 HB3 LYS A 30 23.748 12.198 -2.821 1.00 0.00 H new ATOM 0 HG2 LYS A 30 25.337 13.796 -1.658 1.00 0.00 H new ATOM 0 HG3 LYS A 30 25.572 12.595 -0.404 1.00 0.00 H new ATOM 0 HD2 LYS A 30 26.515 11.002 -2.025 1.00 0.00 H new ATOM 0 HD3 LYS A 30 26.133 12.070 -3.361 1.00 0.00 H new ATOM 0 HE2 LYS A 30 28.446 12.450 -2.954 1.00 0.00 H new ATOM 0 HE3 LYS A 30 27.646 13.827 -2.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 29.345 12.929 -0.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 27.816 12.742 -0.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 28.591 11.407 -0.766 1.00 0.00 H new ATOM 144 N LEU A 31 23.361 15.308 -1.147 1.00 0.00 N ATOM 145 CA LEU A 31 23.172 16.727 -1.495 1.00 0.00 C ATOM 146 C LEU A 31 22.803 17.003 -2.980 1.00 0.00 C ATOM 147 O LEU A 31 21.822 17.716 -3.197 1.00 0.00 O ATOM 148 CB LEU A 31 24.412 17.495 -0.984 1.00 0.00 C ATOM 149 CG LEU A 31 24.492 18.975 -1.391 1.00 0.00 C ATOM 150 CD1 LEU A 31 23.329 19.801 -0.835 1.00 0.00 C ATOM 151 CD2 LEU A 31 25.796 19.586 -0.878 1.00 0.00 C ATOM 0 H LEU A 31 24.191 15.149 -0.576 1.00 0.00 H new ATOM 0 HA LEU A 31 22.278 17.099 -0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 31 24.431 17.435 0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 31 25.306 16.988 -1.347 1.00 0.00 H new ATOM 0 HG LEU A 31 24.445 19.002 -2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 31 23.435 20.838 -1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 31 22.387 19.401 -1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 31 23.336 19.752 0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 31 25.846 20.635 -1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 31 25.831 19.510 0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 31 26.643 19.049 -1.306 1.00 0.00 H new ATOM 163 N PRO A 32 23.458 16.416 -4.010 1.00 0.00 N ATOM 164 CA PRO A 32 23.090 16.671 -5.413 1.00 0.00 C ATOM 165 C PRO A 32 21.724 16.088 -5.819 1.00 0.00 C ATOM 166 O PRO A 32 21.054 16.635 -6.694 1.00 0.00 O ATOM 167 CB PRO A 32 24.218 16.059 -6.256 1.00 0.00 C ATOM 168 CG PRO A 32 25.396 15.977 -5.288 1.00 0.00 C ATOM 169 CD PRO A 32 24.702 15.659 -3.969 1.00 0.00 C ATOM 0 HA PRO A 32 22.980 17.744 -5.571 1.00 0.00 H new ATOM 0 HB2 PRO A 32 23.944 15.075 -6.636 1.00 0.00 H new ATOM 0 HB3 PRO A 32 24.453 16.680 -7.120 1.00 0.00 H new ATOM 0 HG2 PRO A 32 26.105 15.200 -5.573 1.00 0.00 H new ATOM 0 HG3 PRO A 32 25.951 16.914 -5.241 1.00 0.00 H new ATOM 0 HD2 PRO A 32 24.511 14.590 -3.870 1.00 0.00 H new ATOM 0 HD3 PRO A 32 25.316 15.953 -3.118 1.00 0.00 H new ATOM 177 N LEU A 33 21.286 14.998 -5.172 1.00 0.00 N ATOM 178 CA LEU A 33 19.970 14.373 -5.391 1.00 0.00 C ATOM 179 C LEU A 33 18.872 15.109 -4.604 1.00 0.00 C ATOM 180 O LEU A 33 17.777 15.326 -5.123 1.00 0.00 O ATOM 181 CB LEU A 33 20.029 12.878 -5.015 1.00 0.00 C ATOM 182 CG LEU A 33 20.600 11.947 -6.103 1.00 0.00 C ATOM 183 CD1 LEU A 33 22.063 12.228 -6.452 1.00 0.00 C ATOM 184 CD2 LEU A 33 20.506 10.497 -5.627 1.00 0.00 C ATOM 0 H LEU A 33 21.846 14.516 -4.469 1.00 0.00 H new ATOM 0 HA LEU A 33 19.715 14.451 -6.448 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.633 12.770 -4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 33 19.022 12.543 -4.765 1.00 0.00 H new ATOM 0 HG LEU A 33 20.005 12.129 -6.998 1.00 0.00 H new ATOM 0 HD11 LEU A 33 22.393 11.533 -7.224 1.00 0.00 H new ATOM 0 HD12 LEU A 33 22.160 13.250 -6.818 1.00 0.00 H new ATOM 0 HD13 LEU A 33 22.680 12.101 -5.562 1.00 0.00 H new ATOM 0 HD21 LEU A 33 20.909 9.835 -6.394 1.00 0.00 H new ATOM 0 HD22 LEU A 33 21.079 10.378 -4.708 1.00 0.00 H new ATOM 0 HD23 LEU A 33 19.463 10.242 -5.440 1.00 0.00 H new ATOM 196 N LEU A 34 19.192 15.579 -3.389 1.00 0.00 N ATOM 197 CA LEU A 34 18.337 16.475 -2.600 1.00 0.00 C ATOM 198 C LEU A 34 18.037 17.756 -3.387 1.00 0.00 C ATOM 199 O LEU A 34 16.889 18.184 -3.410 1.00 0.00 O ATOM 200 CB LEU A 34 19.011 16.730 -1.231 1.00 0.00 C ATOM 201 CG LEU A 34 18.276 17.669 -0.240 1.00 0.00 C ATOM 202 CD1 LEU A 34 18.607 17.271 1.199 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.708 19.129 -0.408 1.00 0.00 C ATOM 0 H LEU A 34 20.067 15.343 -2.921 1.00 0.00 H new ATOM 0 HA LEU A 34 17.368 16.015 -2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 34 19.153 15.767 -0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 34 20.003 17.144 -1.415 1.00 0.00 H new ATOM 0 HG LEU A 34 17.211 17.573 -0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.087 17.935 1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.288 16.244 1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 34 19.682 17.350 1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.169 19.752 0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.780 19.214 -0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.483 19.461 -1.422 1.00 0.00 H new ATOM 215 N LYS A 35 19.028 18.307 -4.102 1.00 0.00 N ATOM 216 CA LYS A 35 18.922 19.533 -4.921 1.00 0.00 C ATOM 217 C LYS A 35 17.745 19.509 -5.907 1.00 0.00 C ATOM 218 O LYS A 35 17.022 20.499 -6.018 1.00 0.00 O ATOM 219 CB LYS A 35 20.253 19.713 -5.684 1.00 0.00 C ATOM 220 CG LYS A 35 20.650 21.170 -5.955 1.00 0.00 C ATOM 221 CD LYS A 35 21.059 21.907 -4.667 1.00 0.00 C ATOM 222 CE LYS A 35 21.968 23.111 -4.954 1.00 0.00 C ATOM 223 NZ LYS A 35 21.264 24.212 -5.672 1.00 0.00 N ATOM 0 H LYS A 35 19.963 17.899 -4.130 1.00 0.00 H new ATOM 0 HA LYS A 35 18.730 20.371 -4.251 1.00 0.00 H new ATOM 0 HB2 LYS A 35 21.049 19.235 -5.114 1.00 0.00 H new ATOM 0 HB3 LYS A 35 20.183 19.188 -6.636 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.477 21.194 -6.664 1.00 0.00 H new ATOM 0 HG3 LYS A 35 19.815 21.692 -6.422 1.00 0.00 H new ATOM 0 HD2 LYS A 35 20.165 22.245 -4.144 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.575 21.214 -4.002 1.00 0.00 H new ATOM 0 HE2 LYS A 35 22.364 23.493 -4.013 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.820 22.783 -5.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 21.926 24.997 -5.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 20.908 23.860 -6.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 20.466 24.548 -5.095 1.00 0.00 H new ATOM 237 N ILE A 36 17.512 18.364 -6.562 1.00 0.00 N ATOM 238 CA ILE A 36 16.417 18.169 -7.533 1.00 0.00 C ATOM 239 C ILE A 36 15.062 18.383 -6.849 1.00 0.00 C ATOM 240 O ILE A 36 14.246 19.185 -7.290 1.00 0.00 O ATOM 241 CB ILE A 36 16.457 16.759 -8.185 1.00 0.00 C ATOM 242 CG1 ILE A 36 17.867 16.258 -8.563 1.00 0.00 C ATOM 243 CG2 ILE A 36 15.527 16.731 -9.414 1.00 0.00 C ATOM 244 CD1 ILE A 36 18.619 17.132 -9.562 1.00 0.00 C ATOM 0 H ILE A 36 18.086 17.531 -6.433 1.00 0.00 H new ATOM 0 HA ILE A 36 16.552 18.905 -8.325 1.00 0.00 H new ATOM 0 HB ILE A 36 16.107 16.065 -7.420 1.00 0.00 H new ATOM 0 HG12 ILE A 36 18.463 16.178 -7.654 1.00 0.00 H new ATOM 0 HG13 ILE A 36 17.780 15.253 -8.977 1.00 0.00 H new ATOM 0 HG21 ILE A 36 15.556 15.741 -9.870 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.507 16.957 -9.104 1.00 0.00 H new ATOM 0 HG23 ILE A 36 15.859 17.474 -10.139 1.00 0.00 H new ATOM 0 HD11 ILE A 36 19.598 16.696 -9.763 1.00 0.00 H new ATOM 0 HD12 ILE A 36 18.052 17.193 -10.491 1.00 0.00 H new ATOM 0 HD13 ILE A 36 18.746 18.132 -9.147 1.00 0.00 H new ATOM 256 N LEU A 37 14.844 17.700 -5.724 1.00 0.00 N ATOM 257 CA LEU A 37 13.612 17.799 -4.942 1.00 0.00 C ATOM 258 C LEU A 37 13.491 19.162 -4.227 1.00 0.00 C ATOM 259 O LEU A 37 12.393 19.699 -4.091 1.00 0.00 O ATOM 260 CB LEU A 37 13.561 16.577 -3.998 1.00 0.00 C ATOM 261 CG LEU A 37 12.987 15.270 -4.590 1.00 0.00 C ATOM 262 CD1 LEU A 37 11.476 15.361 -4.758 1.00 0.00 C ATOM 263 CD2 LEU A 37 13.583 14.811 -5.917 1.00 0.00 C ATOM 0 H LEU A 37 15.527 17.055 -5.326 1.00 0.00 H new ATOM 0 HA LEU A 37 12.735 17.770 -5.589 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.573 16.376 -3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.967 16.845 -3.125 1.00 0.00 H new ATOM 0 HG LEU A 37 13.272 14.521 -3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.100 14.428 -5.176 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.012 15.537 -3.788 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.234 16.184 -5.431 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.101 13.885 -6.231 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.421 15.579 -6.673 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.653 14.641 -5.796 1.00 0.00 H new ATOM 275 N HIS A 38 14.609 19.779 -3.829 1.00 0.00 N ATOM 276 CA HIS A 38 14.637 21.097 -3.173 1.00 0.00 C ATOM 277 C HIS A 38 14.271 22.244 -4.124 1.00 0.00 C ATOM 278 O HIS A 38 13.598 23.186 -3.703 1.00 0.00 O ATOM 279 CB HIS A 38 16.000 21.327 -2.498 1.00 0.00 C ATOM 280 CG HIS A 38 15.879 21.909 -1.112 1.00 0.00 C ATOM 281 ND1 HIS A 38 16.479 23.084 -0.653 1.00 0.00 N ATOM 282 CD2 HIS A 38 15.179 21.336 -0.089 1.00 0.00 C ATOM 283 CE1 HIS A 38 16.118 23.197 0.639 1.00 0.00 C ATOM 284 NE2 HIS A 38 15.337 22.163 1.001 1.00 0.00 N ATOM 0 H HIS A 38 15.536 19.373 -3.954 1.00 0.00 H new ATOM 0 HA HIS A 38 13.865 21.095 -2.403 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.537 20.380 -2.443 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.598 21.997 -3.117 1.00 0.00 H new ATOM 0 HD2 HIS A 38 14.614 20.417 -0.127 1.00 0.00 H new ATOM 0 HE1 HIS A 38 16.414 24.004 1.293 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.931 22.017 1.925 1.00 0.00 H new ATOM 292 N ALA A 39 14.598 22.126 -5.419 1.00 0.00 N ATOM 293 CA ALA A 39 14.109 23.043 -6.460 1.00 0.00 C ATOM 294 C ALA A 39 12.564 23.068 -6.553 1.00 0.00 C ATOM 295 O ALA A 39 11.986 24.042 -7.040 1.00 0.00 O ATOM 296 CB ALA A 39 14.718 22.636 -7.809 1.00 0.00 C ATOM 0 H ALA A 39 15.210 21.391 -5.775 1.00 0.00 H new ATOM 0 HA ALA A 39 14.420 24.053 -6.192 1.00 0.00 H new ATOM 0 HB1 ALA A 39 14.361 23.310 -8.588 1.00 0.00 H new ATOM 0 HB2 ALA A 39 15.805 22.693 -7.750 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.421 21.615 -8.049 1.00 0.00 H new ATOM 302 N ALA A 40 11.901 22.017 -6.050 1.00 0.00 N ATOM 303 CA ALA A 40 10.450 21.880 -5.938 1.00 0.00 C ATOM 304 C ALA A 40 9.924 21.974 -4.485 1.00 0.00 C ATOM 305 O ALA A 40 8.829 21.488 -4.189 1.00 0.00 O ATOM 306 CB ALA A 40 10.051 20.587 -6.648 1.00 0.00 C ATOM 0 H ALA A 40 12.393 21.198 -5.692 1.00 0.00 H new ATOM 0 HA ALA A 40 9.969 22.728 -6.425 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.971 20.454 -6.583 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.347 20.641 -7.696 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.550 19.742 -6.173 1.00 0.00 H new ATOM 312 N GLY A 41 10.688 22.585 -3.568 1.00 0.00 N ATOM 313 CA GLY A 41 10.235 22.924 -2.209 1.00 0.00 C ATOM 314 C GLY A 41 10.095 21.746 -1.232 1.00 0.00 C ATOM 315 O GLY A 41 9.411 21.878 -0.214 1.00 0.00 O ATOM 0 H GLY A 41 11.652 22.862 -3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.935 23.643 -1.783 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.270 23.425 -2.284 1.00 0.00 H new ATOM 319 N ALA A 42 10.708 20.596 -1.533 1.00 0.00 N ATOM 320 CA ALA A 42 10.673 19.388 -0.712 1.00 0.00 C ATOM 321 C ALA A 42 11.663 19.441 0.480 1.00 0.00 C ATOM 322 O ALA A 42 12.183 20.497 0.845 1.00 0.00 O ATOM 323 CB ALA A 42 11.046 18.236 -1.651 1.00 0.00 C ATOM 0 H ALA A 42 11.259 20.480 -2.383 1.00 0.00 H new ATOM 0 HA ALA A 42 9.684 19.269 -0.269 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.038 17.298 -1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.324 18.182 -2.465 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.042 18.408 -2.060 1.00 0.00 H new ATOM 329 N GLN A 43 11.983 18.266 1.039 1.00 0.00 N ATOM 330 CA GLN A 43 13.065 18.051 2.017 1.00 0.00 C ATOM 331 C GLN A 43 13.858 16.774 1.688 1.00 0.00 C ATOM 332 O GLN A 43 13.931 15.815 2.459 1.00 0.00 O ATOM 333 CB GLN A 43 12.530 18.145 3.458 1.00 0.00 C ATOM 334 CG GLN A 43 11.350 17.216 3.800 1.00 0.00 C ATOM 335 CD GLN A 43 10.895 17.402 5.247 1.00 0.00 C ATOM 336 OE1 GLN A 43 9.942 18.112 5.545 1.00 0.00 O ATOM 337 NE2 GLN A 43 11.561 16.791 6.207 1.00 0.00 N ATOM 0 H GLN A 43 11.480 17.407 0.817 1.00 0.00 H new ATOM 0 HA GLN A 43 13.796 18.856 1.941 1.00 0.00 H new ATOM 0 HB2 GLN A 43 13.349 17.928 4.144 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.223 19.174 3.644 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.518 17.420 3.126 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.643 16.179 3.640 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.357 16.196 5.977 1.00 0.00 H new ATOM 0 HE22 GLN A 43 11.280 16.913 7.180 1.00 0.00 H new ATOM 346 N GLY A 44 14.431 16.763 0.482 1.00 0.00 N ATOM 347 CA GLY A 44 15.182 15.643 -0.074 1.00 0.00 C ATOM 348 C GLY A 44 14.289 14.529 -0.611 1.00 0.00 C ATOM 349 O GLY A 44 13.388 14.780 -1.397 1.00 0.00 O ATOM 0 H GLY A 44 14.381 17.561 -0.152 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.822 16.006 -0.878 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.837 15.235 0.696 1.00 0.00 H new ATOM 353 N GLU A 45 14.586 13.294 -0.213 1.00 0.00 N ATOM 354 CA GLU A 45 13.904 12.048 -0.610 1.00 0.00 C ATOM 355 C GLU A 45 13.727 11.099 0.579 1.00 0.00 C ATOM 356 O GLU A 45 13.562 9.905 0.387 1.00 0.00 O ATOM 357 CB GLU A 45 14.615 11.349 -1.792 1.00 0.00 C ATOM 358 CG GLU A 45 14.593 12.147 -3.095 1.00 0.00 C ATOM 359 CD GLU A 45 15.161 11.303 -4.253 1.00 0.00 C ATOM 360 OE1 GLU A 45 16.404 11.224 -4.398 1.00 0.00 O ATOM 361 OE2 GLU A 45 14.363 10.708 -5.019 1.00 0.00 O ATOM 0 H GLU A 45 15.354 13.117 0.434 1.00 0.00 H new ATOM 0 HA GLU A 45 12.909 12.328 -0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.651 11.155 -1.515 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.144 10.381 -1.964 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.572 12.451 -3.325 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.179 13.059 -2.980 1.00 0.00 H new ATOM 368 N MET A 46 13.808 11.597 1.817 1.00 0.00 N ATOM 369 CA MET A 46 13.753 10.791 3.052 1.00 0.00 C ATOM 370 C MET A 46 12.318 10.354 3.423 1.00 0.00 C ATOM 371 O MET A 46 11.826 10.585 4.529 1.00 0.00 O ATOM 372 CB MET A 46 14.557 11.512 4.131 1.00 0.00 C ATOM 373 CG MET A 46 14.770 10.704 5.421 1.00 0.00 C ATOM 374 SD MET A 46 15.920 11.480 6.591 1.00 0.00 S ATOM 375 CE MET A 46 15.904 10.222 7.899 1.00 0.00 C ATOM 0 H MET A 46 13.916 12.595 1.998 1.00 0.00 H new ATOM 0 HA MET A 46 14.233 9.823 2.907 1.00 0.00 H new ATOM 0 HB2 MET A 46 15.531 11.780 3.721 1.00 0.00 H new ATOM 0 HB3 MET A 46 14.050 12.444 4.382 1.00 0.00 H new ATOM 0 HG2 MET A 46 13.808 10.562 5.912 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.144 9.714 5.161 1.00 0.00 H new ATOM 0 HE1 MET A 46 16.562 10.532 8.710 1.00 0.00 H new ATOM 0 HE2 MET A 46 14.889 10.105 8.279 1.00 0.00 H new ATOM 0 HE3 MET A 46 16.251 9.271 7.494 1.00 0.00 H new ATOM 385 N PHE A 47 11.622 9.782 2.438 1.00 0.00 N ATOM 386 CA PHE A 47 10.179 9.477 2.463 1.00 0.00 C ATOM 387 C PHE A 47 9.712 8.557 1.306 1.00 0.00 C ATOM 388 O PHE A 47 10.473 8.246 0.390 1.00 0.00 O ATOM 389 CB PHE A 47 9.396 10.803 2.499 1.00 0.00 C ATOM 390 CG PHE A 47 9.903 11.892 1.575 1.00 0.00 C ATOM 391 CD1 PHE A 47 9.807 11.715 0.188 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.473 13.074 2.092 1.00 0.00 C ATOM 393 CE1 PHE A 47 10.221 12.737 -0.676 1.00 0.00 C ATOM 394 CE2 PHE A 47 10.917 14.081 1.221 1.00 0.00 C ATOM 395 CZ PHE A 47 10.765 13.923 -0.163 1.00 0.00 C ATOM 0 H PHE A 47 12.062 9.505 1.561 1.00 0.00 H new ATOM 0 HA PHE A 47 9.974 8.899 3.364 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.355 10.596 2.249 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.409 11.184 3.520 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.415 10.793 -0.214 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.568 13.204 3.160 1.00 0.00 H new ATOM 0 HE1 PHE A 47 10.121 12.611 -1.744 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.375 14.976 1.617 1.00 0.00 H new ATOM 0 HZ PHE A 47 11.067 14.714 -0.834 1.00 0.00 H new ATOM 405 N THR A 48 8.457 8.089 1.368 1.00 0.00 N ATOM 406 CA THR A 48 7.824 7.079 0.485 1.00 0.00 C ATOM 407 C THR A 48 7.668 7.529 -0.979 1.00 0.00 C ATOM 408 O THR A 48 7.739 8.714 -1.314 1.00 0.00 O ATOM 409 CB THR A 48 6.430 6.691 1.057 1.00 0.00 C ATOM 410 OG1 THR A 48 6.497 6.654 2.469 1.00 0.00 O ATOM 411 CG2 THR A 48 5.849 5.335 0.637 1.00 0.00 C ATOM 0 H THR A 48 7.808 8.423 2.081 1.00 0.00 H new ATOM 0 HA THR A 48 8.499 6.223 0.471 1.00 0.00 H new ATOM 0 HB THR A 48 5.775 7.458 0.643 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.620 6.411 2.832 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.876 5.194 1.108 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.735 5.308 -0.447 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.523 4.538 0.951 1.00 0.00 H new ATOM 419 N VAL A 49 7.343 6.561 -1.847 1.00 0.00 N ATOM 420 CA VAL A 49 7.112 6.715 -3.305 1.00 0.00 C ATOM 421 C VAL A 49 6.078 7.809 -3.606 1.00 0.00 C ATOM 422 O VAL A 49 6.278 8.653 -4.480 1.00 0.00 O ATOM 423 CB VAL A 49 6.649 5.371 -3.922 1.00 0.00 C ATOM 424 CG1 VAL A 49 6.318 5.480 -5.414 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.714 4.277 -3.770 1.00 0.00 C ATOM 0 H VAL A 49 7.226 5.595 -1.543 1.00 0.00 H new ATOM 0 HA VAL A 49 8.059 7.015 -3.755 1.00 0.00 H new ATOM 0 HB VAL A 49 5.747 5.109 -3.369 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.000 4.507 -5.788 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.515 6.204 -5.557 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.203 5.807 -5.960 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.350 3.351 -4.215 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.629 4.587 -4.274 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.920 4.114 -2.712 1.00 0.00 H new ATOM 435 N LYS A 50 4.996 7.844 -2.822 1.00 0.00 N ATOM 436 CA LYS A 50 3.921 8.835 -2.977 1.00 0.00 C ATOM 437 C LYS A 50 4.387 10.259 -2.691 1.00 0.00 C ATOM 438 O LYS A 50 3.932 11.198 -3.335 1.00 0.00 O ATOM 439 CB LYS A 50 2.751 8.483 -2.040 1.00 0.00 C ATOM 440 CG LYS A 50 2.136 7.092 -2.284 1.00 0.00 C ATOM 441 CD LYS A 50 1.158 6.693 -1.167 1.00 0.00 C ATOM 442 CE LYS A 50 1.876 6.392 0.164 1.00 0.00 C ATOM 443 NZ LYS A 50 0.903 6.025 1.232 1.00 0.00 N ATOM 0 H LYS A 50 4.838 7.185 -2.059 1.00 0.00 H new ATOM 0 HA LYS A 50 3.601 8.799 -4.018 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.099 8.537 -1.008 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.971 9.236 -2.153 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.615 7.089 -3.241 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.932 6.350 -2.352 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.438 7.497 -1.014 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.594 5.814 -1.479 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.586 5.578 0.021 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.450 7.265 0.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.415 5.828 2.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.241 6.812 1.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.373 5.178 0.943 1.00 0.00 H new ATOM 457 N GLU A 51 5.316 10.412 -1.751 1.00 0.00 N ATOM 458 CA GLU A 51 5.853 11.714 -1.359 1.00 0.00 C ATOM 459 C GLU A 51 6.897 12.193 -2.376 1.00 0.00 C ATOM 460 O GLU A 51 6.761 13.309 -2.872 1.00 0.00 O ATOM 461 CB GLU A 51 6.364 11.658 0.091 1.00 0.00 C ATOM 462 CG GLU A 51 5.222 11.327 1.065 1.00 0.00 C ATOM 463 CD GLU A 51 5.641 11.489 2.539 1.00 0.00 C ATOM 464 OE1 GLU A 51 5.734 12.642 3.027 1.00 0.00 O ATOM 465 OE2 GLU A 51 5.836 10.462 3.234 1.00 0.00 O ATOM 0 H GLU A 51 5.721 9.631 -1.235 1.00 0.00 H new ATOM 0 HA GLU A 51 5.064 12.466 -1.373 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.148 10.906 0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.810 12.615 0.360 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.372 11.977 0.858 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.889 10.303 0.895 1.00 0.00 H new ATOM 472 N VAL A 52 7.845 11.344 -2.814 1.00 0.00 N ATOM 473 CA VAL A 52 8.769 11.720 -3.919 1.00 0.00 C ATOM 474 C VAL A 52 8.026 12.130 -5.185 1.00 0.00 C ATOM 475 O VAL A 52 8.322 13.175 -5.759 1.00 0.00 O ATOM 476 CB VAL A 52 9.792 10.634 -4.269 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.838 10.424 -3.172 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.223 9.258 -4.561 1.00 0.00 C ATOM 0 H VAL A 52 7.996 10.410 -2.434 1.00 0.00 H new ATOM 0 HA VAL A 52 9.315 12.578 -3.526 1.00 0.00 H new ATOM 0 HB VAL A 52 10.227 11.041 -5.182 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.534 9.643 -3.478 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.384 11.353 -3.007 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.342 10.126 -2.248 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.036 8.571 -4.796 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.682 8.895 -3.687 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.542 9.319 -5.410 1.00 0.00 H new ATOM 488 N MET A 53 7.034 11.346 -5.602 1.00 0.00 N ATOM 489 CA MET A 53 6.288 11.641 -6.834 1.00 0.00 C ATOM 490 C MET A 53 5.352 12.859 -6.706 1.00 0.00 C ATOM 491 O MET A 53 5.081 13.514 -7.708 1.00 0.00 O ATOM 492 CB MET A 53 5.594 10.388 -7.384 1.00 0.00 C ATOM 493 CG MET A 53 4.248 10.072 -6.727 1.00 0.00 C ATOM 494 SD MET A 53 3.499 8.506 -7.255 1.00 0.00 S ATOM 495 CE MET A 53 3.369 8.786 -9.046 1.00 0.00 C ATOM 0 H MET A 53 6.726 10.506 -5.112 1.00 0.00 H new ATOM 0 HA MET A 53 7.022 11.943 -7.582 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.441 10.513 -8.456 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.258 9.533 -7.254 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.383 10.049 -5.646 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.553 10.883 -6.944 1.00 0.00 H new ATOM 0 HE1 MET A 53 2.725 8.025 -9.487 1.00 0.00 H new ATOM 0 HE2 MET A 53 2.944 9.773 -9.230 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.360 8.728 -9.496 1.00 0.00 H new ATOM 505 N HIS A 54 4.917 13.216 -5.492 1.00 0.00 N ATOM 506 CA HIS A 54 4.201 14.468 -5.197 1.00 0.00 C ATOM 507 C HIS A 54 5.100 15.689 -5.473 1.00 0.00 C ATOM 508 O HIS A 54 4.801 16.495 -6.359 1.00 0.00 O ATOM 509 CB HIS A 54 3.683 14.421 -3.744 1.00 0.00 C ATOM 510 CG HIS A 54 3.607 15.762 -3.060 1.00 0.00 C ATOM 511 ND1 HIS A 54 2.845 16.853 -3.485 1.00 0.00 N ATOM 512 CD2 HIS A 54 4.407 16.151 -2.025 1.00 0.00 C ATOM 513 CE1 HIS A 54 3.212 17.876 -2.695 1.00 0.00 C ATOM 514 NE2 HIS A 54 4.137 17.481 -1.803 1.00 0.00 N ATOM 0 H HIS A 54 5.055 12.631 -4.668 1.00 0.00 H new ATOM 0 HA HIS A 54 3.339 14.572 -5.857 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.691 13.970 -3.741 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.333 13.767 -3.162 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.113 15.536 -1.487 1.00 0.00 H new ATOM 0 HE1 HIS A 54 2.818 18.879 -2.767 1.00 0.00 H new ATOM 0 HE2 HIS A 54 4.565 18.067 -1.086 1.00 0.00 H new ATOM 522 N TYR A 55 6.244 15.779 -4.786 1.00 0.00 N ATOM 523 CA TYR A 55 7.267 16.801 -5.013 1.00 0.00 C ATOM 524 C TYR A 55 7.762 16.852 -6.473 1.00 0.00 C ATOM 525 O TYR A 55 7.981 17.937 -7.008 1.00 0.00 O ATOM 526 CB TYR A 55 8.446 16.540 -4.075 1.00 0.00 C ATOM 527 CG TYR A 55 8.136 16.622 -2.591 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.669 17.823 -2.026 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.345 15.502 -1.768 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.369 17.895 -0.652 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.028 15.561 -0.395 1.00 0.00 C ATOM 532 CZ TYR A 55 7.541 16.761 0.168 1.00 0.00 C ATOM 533 OH TYR A 55 7.248 16.837 1.496 1.00 0.00 O ATOM 0 H TYR A 55 6.488 15.128 -4.040 1.00 0.00 H new ATOM 0 HA TYR A 55 6.812 17.770 -4.807 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.845 15.549 -4.290 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.234 17.258 -4.303 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.540 18.695 -2.650 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.750 14.593 -2.188 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.007 18.819 -0.226 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.158 14.687 0.227 1.00 0.00 H new ATOM 0 HH TYR A 55 7.420 15.970 1.919 1.00 0.00 H new ATOM 543 N LEU A 56 7.896 15.707 -7.149 1.00 0.00 N ATOM 544 CA LEU A 56 8.314 15.635 -8.557 1.00 0.00 C ATOM 545 C LEU A 56 7.189 16.078 -9.520 1.00 0.00 C ATOM 546 O LEU A 56 7.461 16.765 -10.501 1.00 0.00 O ATOM 547 CB LEU A 56 8.865 14.218 -8.805 1.00 0.00 C ATOM 548 CG LEU A 56 9.828 14.045 -9.995 1.00 0.00 C ATOM 549 CD1 LEU A 56 10.588 12.732 -9.790 1.00 0.00 C ATOM 550 CD2 LEU A 56 9.114 13.997 -11.346 1.00 0.00 C ATOM 0 H LEU A 56 7.716 14.794 -6.732 1.00 0.00 H new ATOM 0 HA LEU A 56 9.112 16.347 -8.768 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.379 13.891 -7.901 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.020 13.546 -8.952 1.00 0.00 H new ATOM 0 HG LEU A 56 10.491 14.910 -10.020 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.280 12.579 -10.618 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.145 12.777 -8.854 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.880 11.904 -9.752 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.849 13.874 -12.142 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.419 13.157 -11.361 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.564 14.926 -11.500 1.00 0.00 H new ATOM 562 N GLY A 57 5.919 15.810 -9.206 1.00 0.00 N ATOM 563 CA GLY A 57 4.773 16.370 -9.934 1.00 0.00 C ATOM 564 C GLY A 57 4.764 17.905 -9.907 1.00 0.00 C ATOM 565 O GLY A 57 4.713 18.555 -10.956 1.00 0.00 O ATOM 0 H GLY A 57 5.653 15.196 -8.436 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.798 16.026 -10.968 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.848 15.995 -9.496 1.00 0.00 H new ATOM 569 N GLN A 58 4.962 18.508 -8.727 1.00 0.00 N ATOM 570 CA GLN A 58 5.124 19.964 -8.619 1.00 0.00 C ATOM 571 C GLN A 58 6.442 20.470 -9.242 1.00 0.00 C ATOM 572 O GLN A 58 6.436 21.560 -9.807 1.00 0.00 O ATOM 573 CB GLN A 58 4.788 20.499 -7.215 1.00 0.00 C ATOM 574 CG GLN A 58 5.750 20.076 -6.101 1.00 0.00 C ATOM 575 CD GLN A 58 5.279 20.449 -4.691 1.00 0.00 C ATOM 576 OE1 GLN A 58 4.102 20.634 -4.408 1.00 0.00 O ATOM 577 NE2 GLN A 58 6.178 20.548 -3.734 1.00 0.00 N ATOM 0 H GLN A 58 5.014 18.012 -7.837 1.00 0.00 H new ATOM 0 HA GLN A 58 4.362 20.422 -9.249 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.764 21.588 -7.256 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.784 20.168 -6.950 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.894 18.997 -6.151 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.722 20.536 -6.281 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.165 20.398 -3.944 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.887 20.774 -2.783 1.00 0.00 H new ATOM 586 N TYR A 59 7.543 19.697 -9.234 1.00 0.00 N ATOM 587 CA TYR A 59 8.754 20.028 -10.012 1.00 0.00 C ATOM 588 C TYR A 59 8.403 20.229 -11.490 1.00 0.00 C ATOM 589 O TYR A 59 8.687 21.289 -12.037 1.00 0.00 O ATOM 590 CB TYR A 59 9.846 18.945 -9.881 1.00 0.00 C ATOM 591 CG TYR A 59 11.176 19.268 -10.550 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.330 19.140 -11.948 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.290 19.625 -9.767 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.586 19.346 -12.553 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.546 19.830 -10.368 1.00 0.00 C ATOM 596 CZ TYR A 59 13.703 19.673 -11.757 1.00 0.00 C ATOM 597 OH TYR A 59 14.935 19.837 -12.307 1.00 0.00 O ATOM 0 H TYR A 59 7.620 18.834 -8.695 1.00 0.00 H new ATOM 0 HA TYR A 59 9.153 20.955 -9.600 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.027 18.763 -8.822 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.464 18.016 -10.303 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.478 18.882 -12.559 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.180 19.742 -8.699 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.693 19.254 -13.624 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.394 20.109 -9.760 1.00 0.00 H new ATOM 0 HH TYR A 59 14.880 19.708 -13.277 1.00 0.00 H new ATOM 607 N ILE A 60 7.727 19.259 -12.122 1.00 0.00 N ATOM 608 CA ILE A 60 7.292 19.346 -13.529 1.00 0.00 C ATOM 609 C ILE A 60 6.385 20.567 -13.734 1.00 0.00 C ATOM 610 O ILE A 60 6.559 21.314 -14.696 1.00 0.00 O ATOM 611 CB ILE A 60 6.559 18.050 -13.952 1.00 0.00 C ATOM 612 CG1 ILE A 60 7.455 16.795 -13.858 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.013 18.170 -15.387 1.00 0.00 C ATOM 614 CD1 ILE A 60 6.607 15.529 -13.670 1.00 0.00 C ATOM 0 H ILE A 60 7.463 18.384 -11.670 1.00 0.00 H new ATOM 0 HA ILE A 60 8.176 19.462 -14.157 1.00 0.00 H new ATOM 0 HB ILE A 60 5.736 17.929 -13.248 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.056 16.704 -14.763 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.149 16.900 -13.024 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.502 17.247 -15.660 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.311 19.002 -15.441 1.00 0.00 H new ATOM 0 HG23 ILE A 60 6.838 18.346 -16.077 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.261 14.659 -13.607 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.026 15.614 -12.752 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.932 15.414 -14.518 1.00 0.00 H new ATOM 626 N MET A 61 5.451 20.807 -12.810 1.00 0.00 N ATOM 627 CA MET A 61 4.528 21.946 -12.870 1.00 0.00 C ATOM 628 C MET A 61 5.247 23.313 -12.783 1.00 0.00 C ATOM 629 O MET A 61 4.844 24.257 -13.463 1.00 0.00 O ATOM 630 CB MET A 61 3.480 21.767 -11.760 1.00 0.00 C ATOM 631 CG MET A 61 2.210 22.611 -11.951 1.00 0.00 C ATOM 632 SD MET A 61 0.798 21.782 -12.748 1.00 0.00 S ATOM 633 CE MET A 61 1.343 21.622 -14.468 1.00 0.00 C ATOM 0 H MET A 61 5.312 20.213 -11.993 1.00 0.00 H new ATOM 0 HA MET A 61 4.038 21.957 -13.844 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.199 20.715 -11.707 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.933 22.024 -10.803 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.888 22.970 -10.973 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.469 23.489 -12.543 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.502 21.314 -15.089 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.722 22.581 -14.820 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.134 20.874 -14.531 1.00 0.00 H new ATOM 643 N VAL A 62 6.340 23.418 -12.012 1.00 0.00 N ATOM 644 CA VAL A 62 7.184 24.629 -11.896 1.00 0.00 C ATOM 645 C VAL A 62 8.124 24.787 -13.098 1.00 0.00 C ATOM 646 O VAL A 62 8.138 25.846 -13.733 1.00 0.00 O ATOM 647 CB VAL A 62 7.948 24.636 -10.560 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.013 25.737 -10.463 1.00 0.00 C ATOM 649 CG2 VAL A 62 6.982 24.833 -9.385 1.00 0.00 C ATOM 0 H VAL A 62 6.674 22.646 -11.435 1.00 0.00 H new ATOM 0 HA VAL A 62 6.525 25.497 -11.904 1.00 0.00 H new ATOM 0 HB VAL A 62 8.446 23.667 -10.515 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.509 25.679 -9.494 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.749 25.603 -11.256 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.539 26.713 -10.570 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.542 24.835 -8.450 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.461 25.784 -9.498 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.256 24.021 -9.371 1.00 0.00 H new ATOM 659 N LYS A 63 8.860 23.722 -13.461 1.00 0.00 N ATOM 660 CA LYS A 63 9.738 23.675 -14.651 1.00 0.00 C ATOM 661 C LYS A 63 8.960 23.781 -15.971 1.00 0.00 C ATOM 662 O LYS A 63 9.560 24.084 -17.000 1.00 0.00 O ATOM 663 CB LYS A 63 10.615 22.396 -14.634 1.00 0.00 C ATOM 664 CG LYS A 63 12.120 22.688 -14.542 1.00 0.00 C ATOM 665 CD LYS A 63 12.541 23.204 -13.156 1.00 0.00 C ATOM 666 CE LYS A 63 14.000 23.691 -13.130 1.00 0.00 C ATOM 667 NZ LYS A 63 14.993 22.595 -13.315 1.00 0.00 N ATOM 0 H LYS A 63 8.864 22.852 -12.928 1.00 0.00 H new ATOM 0 HA LYS A 63 10.385 24.551 -14.598 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.321 21.774 -13.788 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.419 21.818 -15.537 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.677 21.779 -14.771 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.389 23.426 -15.297 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.883 24.021 -12.860 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.413 22.409 -12.421 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.141 24.435 -13.914 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.192 24.189 -12.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.934 22.926 -13.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.719 21.776 -12.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.020 22.316 -14.317 1.00 0.00 H new ATOM 681 N GLN A 64 7.638 23.574 -15.926 1.00 0.00 N ATOM 682 CA GLN A 64 6.656 23.758 -17.004 1.00 0.00 C ATOM 683 C GLN A 64 7.087 23.124 -18.337 1.00 0.00 C ATOM 684 O GLN A 64 6.967 23.706 -19.416 1.00 0.00 O ATOM 685 CB GLN A 64 6.127 25.204 -17.037 1.00 0.00 C ATOM 686 CG GLN A 64 7.170 26.293 -17.334 1.00 0.00 C ATOM 687 CD GLN A 64 6.684 27.668 -16.886 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.162 28.465 -17.657 1.00 0.00 O ATOM 689 NE2 GLN A 64 6.830 27.993 -15.615 1.00 0.00 N ATOM 0 H GLN A 64 7.192 23.248 -15.069 1.00 0.00 H new ATOM 0 HA GLN A 64 5.768 23.169 -16.777 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.341 25.266 -17.790 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.665 25.423 -16.075 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.104 26.052 -16.826 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.384 26.312 -18.403 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.263 27.335 -14.967 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.509 28.902 -15.281 1.00 0.00 H new ATOM 698 N LEU A 65 7.618 21.899 -18.221 1.00 0.00 N ATOM 699 CA LEU A 65 8.299 21.150 -19.284 1.00 0.00 C ATOM 700 C LEU A 65 7.360 20.161 -20.022 1.00 0.00 C ATOM 701 O LEU A 65 7.803 19.286 -20.763 1.00 0.00 O ATOM 702 CB LEU A 65 9.552 20.476 -18.668 1.00 0.00 C ATOM 703 CG LEU A 65 10.908 20.744 -19.354 1.00 0.00 C ATOM 704 CD1 LEU A 65 10.918 20.453 -20.853 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.368 22.187 -19.148 1.00 0.00 C ATOM 0 H LEU A 65 7.582 21.380 -17.343 1.00 0.00 H new ATOM 0 HA LEU A 65 8.617 21.835 -20.070 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.631 20.795 -17.629 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.386 19.399 -18.659 1.00 0.00 H new ATOM 0 HG LEU A 65 11.594 20.048 -18.871 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.907 20.667 -21.259 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.676 19.404 -21.022 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.178 21.080 -21.350 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.326 22.338 -19.645 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.629 22.868 -19.570 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.477 22.385 -18.082 1.00 0.00 H new ATOM 717 N TYR A 66 6.050 20.270 -19.794 1.00 0.00 N ATOM 718 CA TYR A 66 4.997 19.496 -20.461 1.00 0.00 C ATOM 719 C TYR A 66 4.551 20.141 -21.787 1.00 0.00 C ATOM 720 O TYR A 66 4.845 21.310 -22.058 1.00 0.00 O ATOM 721 CB TYR A 66 3.827 19.305 -19.484 1.00 0.00 C ATOM 722 CG TYR A 66 3.333 20.598 -18.862 1.00 0.00 C ATOM 723 CD1 TYR A 66 2.477 21.448 -19.584 1.00 0.00 C ATOM 724 CD2 TYR A 66 3.792 20.980 -17.588 1.00 0.00 C ATOM 725 CE1 TYR A 66 2.079 22.686 -19.042 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.389 22.212 -17.037 1.00 0.00 C ATOM 727 CZ TYR A 66 2.535 23.070 -17.762 1.00 0.00 C ATOM 728 OH TYR A 66 2.168 24.266 -17.222 1.00 0.00 O ATOM 0 H TYR A 66 5.676 20.928 -19.110 1.00 0.00 H new ATOM 0 HA TYR A 66 5.394 18.518 -20.734 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.001 18.827 -20.010 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.136 18.625 -18.690 1.00 0.00 H new ATOM 0 HD1 TYR A 66 2.122 21.150 -20.560 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.452 20.330 -17.034 1.00 0.00 H new ATOM 0 HE1 TYR A 66 1.427 23.339 -19.604 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.735 22.501 -16.056 1.00 0.00 H new ATOM 0 HH TYR A 66 2.574 24.363 -16.335 1.00 0.00 H new ATOM 738 N ASP A 67 3.836 19.388 -22.629 1.00 0.00 N ATOM 739 CA ASP A 67 3.358 19.895 -23.921 1.00 0.00 C ATOM 740 C ASP A 67 2.213 20.921 -23.786 1.00 0.00 C ATOM 741 O ASP A 67 1.355 20.834 -22.905 1.00 0.00 O ATOM 742 CB ASP A 67 2.958 18.748 -24.851 1.00 0.00 C ATOM 743 CG ASP A 67 2.774 19.271 -26.280 1.00 0.00 C ATOM 744 OD1 ASP A 67 3.786 19.465 -26.995 1.00 0.00 O ATOM 745 OD2 ASP A 67 1.618 19.575 -26.644 1.00 0.00 O ATOM 0 H ASP A 67 3.574 18.421 -22.438 1.00 0.00 H new ATOM 0 HA ASP A 67 4.198 20.428 -24.367 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.723 17.972 -24.835 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.033 18.291 -24.500 1.00 0.00 H new ATOM 750 N GLN A 68 2.188 21.886 -24.705 1.00 0.00 N ATOM 751 CA GLN A 68 1.255 23.018 -24.742 1.00 0.00 C ATOM 752 C GLN A 68 -0.188 22.562 -25.039 1.00 0.00 C ATOM 753 O GLN A 68 -1.145 23.148 -24.527 1.00 0.00 O ATOM 754 CB GLN A 68 1.663 24.057 -25.819 1.00 0.00 C ATOM 755 CG GLN A 68 3.154 24.322 -26.122 1.00 0.00 C ATOM 756 CD GLN A 68 3.936 23.098 -26.613 1.00 0.00 C ATOM 757 OE1 GLN A 68 5.018 22.792 -26.134 1.00 0.00 O ATOM 758 NE2 GLN A 68 3.383 22.271 -27.476 1.00 0.00 N ATOM 0 H GLN A 68 2.848 21.903 -25.482 1.00 0.00 H new ATOM 0 HA GLN A 68 1.297 23.474 -23.753 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.193 23.753 -26.754 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.218 25.010 -25.533 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.224 25.107 -26.875 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.632 24.703 -25.220 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.480 22.498 -27.893 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.857 21.404 -27.727 1.00 0.00 H new ATOM 767 N GLN A 69 -0.341 21.525 -25.873 1.00 0.00 N ATOM 768 CA GLN A 69 -1.620 20.939 -26.280 1.00 0.00 C ATOM 769 C GLN A 69 -2.008 19.721 -25.424 1.00 0.00 C ATOM 770 O GLN A 69 -3.192 19.383 -25.352 1.00 0.00 O ATOM 771 CB GLN A 69 -1.589 20.591 -27.782 1.00 0.00 C ATOM 772 CG GLN A 69 -1.666 21.818 -28.715 1.00 0.00 C ATOM 773 CD GLN A 69 -0.387 22.655 -28.836 1.00 0.00 C ATOM 774 OE1 GLN A 69 0.739 22.194 -28.698 1.00 0.00 O ATOM 775 NE2 GLN A 69 -0.503 23.936 -29.125 1.00 0.00 N ATOM 0 H GLN A 69 0.457 21.054 -26.299 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.396 21.686 -26.111 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.673 20.041 -27.998 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.422 19.924 -28.007 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.947 21.475 -29.711 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.468 22.467 -28.363 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.427 24.350 -29.246 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.332 24.513 -29.227 1.00 0.00 H new ATOM 784 N GLU A 70 -1.049 19.079 -24.747 1.00 0.00 N ATOM 785 CA GLU A 70 -1.308 17.924 -23.873 1.00 0.00 C ATOM 786 C GLU A 70 -0.388 17.905 -22.641 1.00 0.00 C ATOM 787 O GLU A 70 0.692 17.315 -22.646 1.00 0.00 O ATOM 788 CB GLU A 70 -1.282 16.597 -24.668 1.00 0.00 C ATOM 789 CG GLU A 70 -0.276 16.536 -25.831 1.00 0.00 C ATOM 790 CD GLU A 70 -0.356 15.189 -26.578 1.00 0.00 C ATOM 791 OE1 GLU A 70 -1.397 14.904 -27.222 1.00 0.00 O ATOM 792 OE2 GLU A 70 0.630 14.413 -26.561 1.00 0.00 O ATOM 0 H GLU A 70 -0.065 19.346 -24.789 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.319 18.033 -23.481 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.059 15.785 -23.976 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.280 16.413 -25.065 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.473 17.351 -26.527 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.734 16.681 -25.448 1.00 0.00 H new ATOM 799 N GLN A 71 -0.873 18.484 -21.535 1.00 0.00 N ATOM 800 CA GLN A 71 -0.219 18.478 -20.215 1.00 0.00 C ATOM 801 C GLN A 71 0.068 17.054 -19.694 1.00 0.00 C ATOM 802 O GLN A 71 0.949 16.859 -18.854 1.00 0.00 O ATOM 803 CB GLN A 71 -1.111 19.200 -19.188 1.00 0.00 C ATOM 804 CG GLN A 71 -1.298 20.712 -19.427 1.00 0.00 C ATOM 805 CD GLN A 71 -2.295 21.103 -20.525 1.00 0.00 C ATOM 806 OE1 GLN A 71 -3.016 20.294 -21.098 1.00 0.00 O ATOM 807 NE2 GLN A 71 -2.384 22.373 -20.862 1.00 0.00 N ATOM 0 H GLN A 71 -1.761 18.987 -21.532 1.00 0.00 H new ATOM 0 HA GLN A 71 0.735 18.991 -20.339 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.092 18.725 -19.186 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.684 19.056 -18.195 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.620 21.170 -18.492 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.328 21.143 -19.675 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.795 23.066 -20.400 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.042 22.664 -21.585 1.00 0.00 H new ATOM 816 N HIS A 72 -0.656 16.058 -20.221 1.00 0.00 N ATOM 817 CA HIS A 72 -0.420 14.630 -19.997 1.00 0.00 C ATOM 818 C HIS A 72 1.003 14.184 -20.394 1.00 0.00 C ATOM 819 O HIS A 72 1.549 13.278 -19.759 1.00 0.00 O ATOM 820 CB HIS A 72 -1.516 13.834 -20.748 1.00 0.00 C ATOM 821 CG HIS A 72 -1.077 12.539 -21.399 1.00 0.00 C ATOM 822 ND1 HIS A 72 -0.364 12.452 -22.598 1.00 0.00 N ATOM 823 CD2 HIS A 72 -1.354 11.275 -20.962 1.00 0.00 C ATOM 824 CE1 HIS A 72 -0.208 11.143 -22.846 1.00 0.00 C ATOM 825 NE2 HIS A 72 -0.794 10.412 -21.881 1.00 0.00 N ATOM 0 H HIS A 72 -1.450 16.233 -20.837 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.484 14.425 -18.928 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -2.318 13.609 -20.045 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.939 14.478 -21.519 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.903 11.004 -20.072 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.314 10.734 -23.699 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.820 9.393 -21.836 1.00 0.00 H new ATOM 833 N MET A 73 1.611 14.818 -21.403 1.00 0.00 N ATOM 834 CA MET A 73 2.934 14.482 -21.934 1.00 0.00 C ATOM 835 C MET A 73 4.012 15.409 -21.358 1.00 0.00 C ATOM 836 O MET A 73 3.873 16.634 -21.396 1.00 0.00 O ATOM 837 CB MET A 73 2.894 14.541 -23.470 1.00 0.00 C ATOM 838 CG MET A 73 4.204 14.070 -24.109 1.00 0.00 C ATOM 839 SD MET A 73 4.650 12.352 -23.732 1.00 0.00 S ATOM 840 CE MET A 73 6.267 12.288 -24.542 1.00 0.00 C ATOM 0 H MET A 73 1.180 15.605 -21.888 1.00 0.00 H new ATOM 0 HA MET A 73 3.197 13.469 -21.631 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.073 13.922 -23.833 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.686 15.563 -23.786 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.127 14.183 -25.190 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.011 14.723 -23.777 1.00 0.00 H new ATOM 0 HE1 MET A 73 6.797 11.390 -24.225 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.132 12.267 -25.623 1.00 0.00 H new ATOM 0 HE3 MET A 73 6.847 13.168 -24.266 1.00 0.00 H new ATOM 850 N VAL A 74 5.102 14.829 -20.849 1.00 0.00 N ATOM 851 CA VAL A 74 6.168 15.520 -20.108 1.00 0.00 C ATOM 852 C VAL A 74 7.520 15.299 -20.794 1.00 0.00 C ATOM 853 O VAL A 74 7.927 14.163 -21.037 1.00 0.00 O ATOM 854 CB VAL A 74 6.220 15.034 -18.643 1.00 0.00 C ATOM 855 CG1 VAL A 74 7.282 15.804 -17.849 1.00 0.00 C ATOM 856 CG2 VAL A 74 4.872 15.222 -17.929 1.00 0.00 C ATOM 0 H VAL A 74 5.276 13.828 -20.943 1.00 0.00 H new ATOM 0 HA VAL A 74 5.948 16.588 -20.105 1.00 0.00 H new ATOM 0 HB VAL A 74 6.466 13.973 -18.681 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.299 15.444 -16.820 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.260 15.649 -18.304 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.042 16.867 -17.857 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.952 14.868 -16.901 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.605 16.279 -17.929 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.102 14.653 -18.450 1.00 0.00 H new ATOM 866 N TYR A 75 8.243 16.383 -21.069 1.00 0.00 N ATOM 867 CA TYR A 75 9.624 16.372 -21.556 1.00 0.00 C ATOM 868 C TYR A 75 10.613 16.726 -20.427 1.00 0.00 C ATOM 869 O TYR A 75 10.226 17.201 -19.361 1.00 0.00 O ATOM 870 CB TYR A 75 9.733 17.297 -22.777 1.00 0.00 C ATOM 871 CG TYR A 75 8.965 16.729 -23.947 1.00 0.00 C ATOM 872 CD1 TYR A 75 9.524 15.654 -24.658 1.00 0.00 C ATOM 873 CD2 TYR A 75 7.666 17.182 -24.249 1.00 0.00 C ATOM 874 CE1 TYR A 75 8.779 15.009 -25.657 1.00 0.00 C ATOM 875 CE2 TYR A 75 6.926 16.553 -25.269 1.00 0.00 C ATOM 876 CZ TYR A 75 7.479 15.464 -25.977 1.00 0.00 C ATOM 877 OH TYR A 75 6.753 14.858 -26.958 1.00 0.00 O ATOM 0 H TYR A 75 7.872 17.326 -20.955 1.00 0.00 H new ATOM 0 HA TYR A 75 9.900 15.368 -21.878 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.346 18.285 -22.527 1.00 0.00 H new ATOM 0 HB3 TYR A 75 10.780 17.425 -23.051 1.00 0.00 H new ATOM 0 HD1 TYR A 75 10.528 15.324 -24.436 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.239 18.009 -23.700 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.199 14.164 -26.182 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.934 16.904 -25.510 1.00 0.00 H new ATOM 0 HH TYR A 75 5.883 15.301 -27.042 1.00 0.00 H new ATOM 887 N CYS A 76 11.905 16.488 -20.653 1.00 0.00 N ATOM 888 CA CYS A 76 13.003 16.755 -19.710 1.00 0.00 C ATOM 889 C CYS A 76 14.321 17.110 -20.422 1.00 0.00 C ATOM 890 O CYS A 76 15.406 16.879 -19.885 1.00 0.00 O ATOM 891 CB CYS A 76 13.151 15.540 -18.775 1.00 0.00 C ATOM 892 SG CYS A 76 12.238 15.836 -17.236 1.00 0.00 S ATOM 0 H CYS A 76 12.234 16.088 -21.532 1.00 0.00 H new ATOM 0 HA CYS A 76 12.757 17.637 -19.118 1.00 0.00 H new ATOM 0 HB2 CYS A 76 12.773 14.643 -19.266 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.204 15.364 -18.556 1.00 0.00 H new ATOM 0 HG CYS A 76 11.125 16.452 -17.503 1.00 0.00 H new ATOM 898 N GLY A 77 14.246 17.627 -21.652 1.00 0.00 N ATOM 899 CA GLY A 77 15.415 17.806 -22.513 1.00 0.00 C ATOM 900 C GLY A 77 16.464 18.741 -21.901 1.00 0.00 C ATOM 901 O GLY A 77 16.210 19.931 -21.699 1.00 0.00 O ATOM 0 H GLY A 77 13.371 17.933 -22.078 1.00 0.00 H new ATOM 0 HA2 GLY A 77 15.870 16.835 -22.708 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.095 18.206 -23.475 1.00 0.00 H new ATOM 905 N GLY A 78 17.636 18.185 -21.586 1.00 0.00 N ATOM 906 CA GLY A 78 18.745 18.877 -20.928 1.00 0.00 C ATOM 907 C GLY A 78 18.518 19.254 -19.454 1.00 0.00 C ATOM 908 O GLY A 78 19.312 20.034 -18.922 1.00 0.00 O ATOM 0 H GLY A 78 17.845 17.208 -21.789 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.631 18.245 -20.990 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.963 19.787 -21.487 1.00 0.00 H new ATOM 912 N ASP A 79 17.472 18.754 -18.776 1.00 0.00 N ATOM 913 CA ASP A 79 17.191 19.089 -17.381 1.00 0.00 C ATOM 914 C ASP A 79 17.852 18.086 -16.417 1.00 0.00 C ATOM 915 O ASP A 79 17.996 16.885 -16.694 1.00 0.00 O ATOM 916 CB ASP A 79 15.675 19.230 -17.162 1.00 0.00 C ATOM 917 CG ASP A 79 15.363 19.910 -15.820 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.233 19.188 -14.810 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.301 21.160 -15.746 1.00 0.00 O ATOM 0 H ASP A 79 16.800 18.105 -19.186 1.00 0.00 H new ATOM 0 HA ASP A 79 17.638 20.057 -17.153 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.241 19.811 -17.976 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.209 18.245 -17.190 1.00 0.00 H new ATOM 924 N LEU A 80 18.214 18.583 -15.234 1.00 0.00 N ATOM 925 CA LEU A 80 18.777 17.781 -14.152 1.00 0.00 C ATOM 926 C LEU A 80 17.828 16.639 -13.724 1.00 0.00 C ATOM 927 O LEU A 80 18.289 15.596 -13.265 1.00 0.00 O ATOM 928 CB LEU A 80 19.252 18.716 -13.022 1.00 0.00 C ATOM 929 CG LEU A 80 20.500 18.221 -12.262 1.00 0.00 C ATOM 930 CD1 LEU A 80 21.743 18.071 -13.147 1.00 0.00 C ATOM 931 CD2 LEU A 80 20.863 19.236 -11.174 1.00 0.00 C ATOM 0 H LEU A 80 18.122 19.571 -14.999 1.00 0.00 H new ATOM 0 HA LEU A 80 19.663 17.247 -14.496 1.00 0.00 H new ATOM 0 HB2 LEU A 80 19.466 19.697 -13.446 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.437 18.847 -12.310 1.00 0.00 H new ATOM 0 HG LEU A 80 20.236 17.241 -11.864 1.00 0.00 H new ATOM 0 HD11 LEU A 80 22.579 17.719 -12.543 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.540 17.351 -13.940 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.994 19.036 -13.588 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.745 18.891 -10.634 1.00 0.00 H new ATOM 0 HD22 LEU A 80 21.074 20.202 -11.633 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.029 19.339 -10.480 1.00 0.00 H new ATOM 943 N LEU A 81 16.509 16.804 -13.902 1.00 0.00 N ATOM 944 CA LEU A 81 15.522 15.729 -13.739 1.00 0.00 C ATOM 945 C LEU A 81 15.655 14.627 -14.806 1.00 0.00 C ATOM 946 O LEU A 81 15.564 13.449 -14.471 1.00 0.00 O ATOM 947 CB LEU A 81 14.110 16.338 -13.763 1.00 0.00 C ATOM 948 CG LEU A 81 12.971 15.314 -13.575 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.089 14.537 -12.261 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.607 16.003 -13.573 1.00 0.00 C ATOM 0 H LEU A 81 16.094 17.698 -14.166 1.00 0.00 H new ATOM 0 HA LEU A 81 15.709 15.246 -12.780 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.039 17.091 -12.978 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.966 16.853 -14.713 1.00 0.00 H new ATOM 0 HG LEU A 81 13.059 14.624 -14.414 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.263 13.831 -12.180 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.034 13.993 -12.243 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.055 15.233 -11.423 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.823 15.258 -13.439 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.565 16.725 -12.757 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.459 16.519 -14.522 1.00 0.00 H new ATOM 962 N GLY A 82 15.912 14.974 -16.072 1.00 0.00 N ATOM 963 CA GLY A 82 16.214 13.986 -17.118 1.00 0.00 C ATOM 964 C GLY A 82 17.520 13.244 -16.843 1.00 0.00 C ATOM 965 O GLY A 82 17.589 12.030 -17.035 1.00 0.00 O ATOM 0 H GLY A 82 15.917 15.940 -16.400 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.396 13.268 -17.186 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.278 14.488 -18.083 1.00 0.00 H new ATOM 969 N GLU A 83 18.525 13.929 -16.288 1.00 0.00 N ATOM 970 CA GLU A 83 19.752 13.300 -15.815 1.00 0.00 C ATOM 971 C GLU A 83 19.500 12.370 -14.605 1.00 0.00 C ATOM 972 O GLU A 83 20.083 11.285 -14.544 1.00 0.00 O ATOM 973 CB GLU A 83 20.718 14.454 -15.526 1.00 0.00 C ATOM 974 CG GLU A 83 21.914 14.108 -14.652 1.00 0.00 C ATOM 975 CD GLU A 83 22.860 13.038 -15.241 1.00 0.00 C ATOM 976 OE1 GLU A 83 22.971 12.910 -16.485 1.00 0.00 O ATOM 977 OE2 GLU A 83 23.539 12.335 -14.452 1.00 0.00 O ATOM 0 H GLU A 83 18.505 14.940 -16.156 1.00 0.00 H new ATOM 0 HA GLU A 83 20.182 12.629 -16.558 1.00 0.00 H new ATOM 0 HB2 GLU A 83 21.085 14.843 -16.476 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.161 15.259 -15.046 1.00 0.00 H new ATOM 0 HG2 GLU A 83 22.487 15.017 -14.468 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.551 13.759 -13.685 1.00 0.00 H new ATOM 984 N LEU A 84 18.595 12.734 -13.683 1.00 0.00 N ATOM 985 CA LEU A 84 18.199 11.886 -12.549 1.00 0.00 C ATOM 986 C LEU A 84 17.438 10.623 -13.004 1.00 0.00 C ATOM 987 O LEU A 84 17.737 9.518 -12.546 1.00 0.00 O ATOM 988 CB LEU A 84 17.353 12.711 -11.551 1.00 0.00 C ATOM 989 CG LEU A 84 16.889 11.917 -10.309 1.00 0.00 C ATOM 990 CD1 LEU A 84 18.057 11.579 -9.381 1.00 0.00 C ATOM 991 CD2 LEU A 84 15.853 12.704 -9.509 1.00 0.00 C ATOM 0 H LEU A 84 18.114 13.633 -13.704 1.00 0.00 H new ATOM 0 HA LEU A 84 19.107 11.542 -12.053 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.936 13.571 -11.222 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.476 13.099 -12.069 1.00 0.00 H new ATOM 0 HG LEU A 84 16.448 10.993 -10.683 1.00 0.00 H new ATOM 0 HD11 LEU A 84 17.688 11.021 -8.520 1.00 0.00 H new ATOM 0 HD12 LEU A 84 18.787 10.975 -9.920 1.00 0.00 H new ATOM 0 HD13 LEU A 84 18.530 12.500 -9.041 1.00 0.00 H new ATOM 0 HD21 LEU A 84 15.544 12.121 -8.641 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.289 13.646 -9.177 1.00 0.00 H new ATOM 0 HD23 LEU A 84 14.985 12.907 -10.137 1.00 0.00 H new ATOM 1003 N LEU A 85 16.456 10.784 -13.898 1.00 0.00 N ATOM 1004 CA LEU A 85 15.588 9.701 -14.386 1.00 0.00 C ATOM 1005 C LEU A 85 16.269 8.810 -15.442 1.00 0.00 C ATOM 1006 O LEU A 85 15.857 7.666 -15.636 1.00 0.00 O ATOM 1007 CB LEU A 85 14.295 10.312 -14.965 1.00 0.00 C ATOM 1008 CG LEU A 85 13.366 10.996 -13.942 1.00 0.00 C ATOM 1009 CD1 LEU A 85 12.231 11.697 -14.686 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.730 10.007 -12.966 1.00 0.00 C ATOM 0 H LEU A 85 16.236 11.690 -14.313 1.00 0.00 H new ATOM 0 HA LEU A 85 15.362 9.056 -13.537 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.569 11.043 -15.726 1.00 0.00 H new ATOM 0 HB3 LEU A 85 13.735 9.523 -15.467 1.00 0.00 H new ATOM 0 HG LEU A 85 13.982 11.695 -13.376 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.570 12.183 -13.968 1.00 0.00 H new ATOM 0 HD12 LEU A 85 12.646 12.445 -15.361 1.00 0.00 H new ATOM 0 HD13 LEU A 85 11.665 10.964 -15.261 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.087 10.545 -12.270 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.137 9.280 -13.520 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.512 9.490 -12.411 1.00 0.00 H new ATOM 1022 N GLY A 86 17.279 9.331 -16.149 1.00 0.00 N ATOM 1023 CA GLY A 86 17.908 8.672 -17.301 1.00 0.00 C ATOM 1024 C GLY A 86 17.088 8.768 -18.599 1.00 0.00 C ATOM 1025 O GLY A 86 17.430 8.111 -19.586 1.00 0.00 O ATOM 0 H GLY A 86 17.690 10.239 -15.933 1.00 0.00 H new ATOM 0 HA2 GLY A 86 18.889 9.115 -17.469 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.070 7.621 -17.062 1.00 0.00 H new ATOM 1029 N ARG A 87 16.011 9.571 -18.606 1.00 0.00 N ATOM 1030 CA ARG A 87 15.116 9.812 -19.753 1.00 0.00 C ATOM 1031 C ARG A 87 14.673 11.264 -19.870 1.00 0.00 C ATOM 1032 O ARG A 87 14.417 11.925 -18.870 1.00 0.00 O ATOM 1033 CB ARG A 87 13.867 8.912 -19.670 1.00 0.00 C ATOM 1034 CG ARG A 87 14.102 7.484 -20.185 1.00 0.00 C ATOM 1035 CD ARG A 87 12.789 6.686 -20.237 1.00 0.00 C ATOM 1036 NE ARG A 87 11.790 7.314 -21.134 1.00 0.00 N ATOM 1037 CZ ARG A 87 11.566 7.056 -22.410 1.00 0.00 C ATOM 1038 NH1 ARG A 87 12.173 6.100 -23.054 1.00 0.00 N ATOM 1039 NH2 ARG A 87 10.716 7.790 -23.066 1.00 0.00 N ATOM 0 H ARG A 87 15.727 10.093 -17.777 1.00 0.00 H new ATOM 0 HA ARG A 87 15.698 9.569 -20.642 1.00 0.00 H new ATOM 0 HB2 ARG A 87 13.532 8.865 -18.634 1.00 0.00 H new ATOM 0 HB3 ARG A 87 13.062 9.369 -20.245 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.546 7.522 -21.180 1.00 0.00 H new ATOM 0 HG3 ARG A 87 14.815 6.974 -19.537 1.00 0.00 H new ATOM 0 HD2 ARG A 87 12.995 5.672 -20.578 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.374 6.606 -19.232 1.00 0.00 H new ATOM 0 HE ARG A 87 11.203 8.035 -20.714 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.854 5.513 -22.572 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.967 5.938 -24.040 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.232 8.554 -22.595 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.534 7.602 -24.052 1.00 0.00 H new ATOM 1053 N GLN A 88 14.505 11.722 -21.112 1.00 0.00 N ATOM 1054 CA GLN A 88 14.093 13.095 -21.442 1.00 0.00 C ATOM 1055 C GLN A 88 12.623 13.208 -21.884 1.00 0.00 C ATOM 1056 O GLN A 88 12.191 14.278 -22.307 1.00 0.00 O ATOM 1057 CB GLN A 88 15.093 13.731 -22.419 1.00 0.00 C ATOM 1058 CG GLN A 88 16.498 13.761 -21.793 1.00 0.00 C ATOM 1059 CD GLN A 88 17.549 14.361 -22.724 1.00 0.00 C ATOM 1060 OE1 GLN A 88 18.014 15.477 -22.542 1.00 0.00 O ATOM 1061 NE2 GLN A 88 17.967 13.655 -23.755 1.00 0.00 N ATOM 0 H GLN A 88 14.654 11.140 -21.936 1.00 0.00 H new ATOM 0 HA GLN A 88 14.124 13.681 -20.523 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.113 13.165 -23.350 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.776 14.744 -22.668 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.466 14.338 -20.869 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.793 12.746 -21.526 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.589 12.722 -23.921 1.00 0.00 H new ATOM 0 HE22 GLN A 88 18.668 14.041 -24.387 1.00 0.00 H new ATOM 1070 N SER A 89 11.840 12.130 -21.766 1.00 0.00 N ATOM 1071 CA SER A 89 10.375 12.162 -21.926 1.00 0.00 C ATOM 1072 C SER A 89 9.647 11.003 -21.228 1.00 0.00 C ATOM 1073 O SER A 89 10.154 9.878 -21.162 1.00 0.00 O ATOM 1074 CB SER A 89 9.964 12.229 -23.401 1.00 0.00 C ATOM 1075 OG SER A 89 10.325 11.050 -24.108 1.00 0.00 O ATOM 0 H SER A 89 12.205 11.201 -21.555 1.00 0.00 H new ATOM 0 HA SER A 89 10.060 13.078 -21.426 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.886 12.378 -23.471 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.436 13.092 -23.870 1.00 0.00 H new ATOM 0 HG SER A 89 10.045 11.131 -25.044 1.00 0.00 H new ATOM 1081 N PHE A 90 8.451 11.290 -20.710 1.00 0.00 N ATOM 1082 CA PHE A 90 7.502 10.361 -20.076 1.00 0.00 C ATOM 1083 C PHE A 90 6.091 10.991 -20.045 1.00 0.00 C ATOM 1084 O PHE A 90 5.887 12.088 -20.565 1.00 0.00 O ATOM 1085 CB PHE A 90 8.003 9.986 -18.667 1.00 0.00 C ATOM 1086 CG PHE A 90 8.257 11.138 -17.711 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.521 11.759 -17.678 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.250 11.560 -16.820 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.778 12.793 -16.761 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.512 12.590 -15.899 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.779 13.198 -15.861 1.00 0.00 C ATOM 0 H PHE A 90 8.091 12.244 -20.721 1.00 0.00 H new ATOM 0 HA PHE A 90 7.436 9.441 -20.658 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.272 9.319 -18.211 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.928 9.420 -18.773 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.295 11.440 -18.360 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.277 11.092 -16.844 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.744 13.276 -16.749 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.738 12.915 -15.219 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.984 13.976 -15.140 1.00 0.00 H new ATOM 1101 N SER A 91 5.093 10.324 -19.460 1.00 0.00 N ATOM 1102 CA SER A 91 3.721 10.853 -19.369 1.00 0.00 C ATOM 1103 C SER A 91 3.049 10.543 -18.029 1.00 0.00 C ATOM 1104 O SER A 91 3.539 9.733 -17.241 1.00 0.00 O ATOM 1105 CB SER A 91 2.881 10.310 -20.531 1.00 0.00 C ATOM 1106 OG SER A 91 2.526 8.958 -20.286 1.00 0.00 O ATOM 0 H SER A 91 5.208 9.404 -19.036 1.00 0.00 H new ATOM 0 HA SER A 91 3.787 11.939 -19.435 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.982 10.914 -20.653 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.443 10.384 -21.462 1.00 0.00 H new ATOM 0 HG SER A 91 1.988 8.621 -21.033 1.00 0.00 H new ATOM 1112 N VAL A 92 1.883 11.149 -17.784 1.00 0.00 N ATOM 1113 CA VAL A 92 1.019 10.809 -16.635 1.00 0.00 C ATOM 1114 C VAL A 92 0.330 9.440 -16.786 1.00 0.00 C ATOM 1115 O VAL A 92 -0.229 8.928 -15.816 1.00 0.00 O ATOM 1116 CB VAL A 92 -0.008 11.919 -16.335 1.00 0.00 C ATOM 1117 CG1 VAL A 92 0.681 13.279 -16.174 1.00 0.00 C ATOM 1118 CG2 VAL A 92 -1.087 12.041 -17.415 1.00 0.00 C ATOM 0 H VAL A 92 1.506 11.891 -18.374 1.00 0.00 H new ATOM 0 HA VAL A 92 1.686 10.732 -15.776 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.491 11.629 -15.402 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.067 14.043 -15.963 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.393 13.231 -15.350 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.208 13.531 -17.094 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.780 12.839 -17.148 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.619 12.272 -18.372 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.630 11.099 -17.495 1.00 0.00 H new ATOM 1128 N LYS A 93 0.382 8.826 -17.981 1.00 0.00 N ATOM 1129 CA LYS A 93 -0.062 7.443 -18.239 1.00 0.00 C ATOM 1130 C LYS A 93 1.064 6.425 -17.995 1.00 0.00 C ATOM 1131 O LYS A 93 0.797 5.321 -17.521 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.618 7.367 -19.674 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.253 6.018 -20.063 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.493 5.605 -19.250 1.00 0.00 C ATOM 1135 CE LYS A 93 -3.654 6.599 -19.412 1.00 0.00 C ATOM 1136 NZ LYS A 93 -4.887 6.122 -18.725 1.00 0.00 N ATOM 0 H LYS A 93 0.743 9.288 -18.816 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.852 7.177 -17.537 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.365 8.151 -19.799 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.191 7.584 -20.372 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.529 6.058 -21.117 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.498 5.239 -19.960 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.819 4.614 -19.567 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.226 5.531 -18.196 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.363 7.568 -19.006 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.862 6.747 -20.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.649 6.818 -18.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.179 5.209 -19.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.695 6.005 -17.709 1.00 0.00 H new ATOM 1150 N ASP A 94 2.315 6.813 -18.256 1.00 0.00 N ATOM 1151 CA ASP A 94 3.527 6.007 -18.056 1.00 0.00 C ATOM 1152 C ASP A 94 4.593 6.750 -17.206 1.00 0.00 C ATOM 1153 O ASP A 94 5.641 7.147 -17.729 1.00 0.00 O ATOM 1154 CB ASP A 94 4.071 5.555 -19.424 1.00 0.00 C ATOM 1155 CG ASP A 94 3.137 4.552 -20.122 1.00 0.00 C ATOM 1156 OD1 ASP A 94 3.090 3.372 -19.696 1.00 0.00 O ATOM 1157 OD2 ASP A 94 2.472 4.921 -21.121 1.00 0.00 O ATOM 0 H ASP A 94 2.522 7.739 -18.630 1.00 0.00 H new ATOM 0 HA ASP A 94 3.267 5.120 -17.479 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.208 6.427 -20.064 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.053 5.101 -19.290 1.00 0.00 H new ATOM 1162 N PRO A 95 4.367 6.924 -15.884 1.00 0.00 N ATOM 1163 CA PRO A 95 5.335 7.509 -14.940 1.00 0.00 C ATOM 1164 C PRO A 95 6.474 6.544 -14.539 1.00 0.00 C ATOM 1165 O PRO A 95 7.265 6.844 -13.643 1.00 0.00 O ATOM 1166 CB PRO A 95 4.487 7.934 -13.734 1.00 0.00 C ATOM 1167 CG PRO A 95 3.404 6.857 -13.702 1.00 0.00 C ATOM 1168 CD PRO A 95 3.124 6.620 -15.184 1.00 0.00 C ATOM 0 HA PRO A 95 5.866 8.345 -15.395 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.070 7.952 -12.813 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.066 8.931 -13.864 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.749 5.950 -13.205 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.514 7.193 -13.170 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.818 5.589 -15.363 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.313 7.259 -15.534 1.00 0.00 H new ATOM 1176 N SER A 96 6.573 5.379 -15.187 1.00 0.00 N ATOM 1177 CA SER A 96 7.499 4.272 -14.897 1.00 0.00 C ATOM 1178 C SER A 96 8.974 4.647 -14.650 1.00 0.00 C ATOM 1179 O SER A 96 9.582 4.008 -13.787 1.00 0.00 O ATOM 1180 CB SER A 96 7.422 3.237 -16.031 1.00 0.00 C ATOM 1181 OG SER A 96 6.065 2.927 -16.329 1.00 0.00 O ATOM 0 H SER A 96 5.970 5.167 -15.982 1.00 0.00 H new ATOM 0 HA SER A 96 7.157 3.875 -13.941 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.917 3.626 -16.921 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.954 2.331 -15.741 1.00 0.00 H new ATOM 0 HG SER A 96 6.031 2.268 -17.054 1.00 0.00 H new ATOM 1187 N PRO A 97 9.578 5.675 -15.293 1.00 0.00 N ATOM 1188 CA PRO A 97 10.966 6.064 -15.012 1.00 0.00 C ATOM 1189 C PRO A 97 11.224 6.481 -13.555 1.00 0.00 C ATOM 1190 O PRO A 97 12.319 6.244 -13.048 1.00 0.00 O ATOM 1191 CB PRO A 97 11.286 7.195 -15.997 1.00 0.00 C ATOM 1192 CG PRO A 97 10.372 6.872 -17.176 1.00 0.00 C ATOM 1193 CD PRO A 97 9.107 6.398 -16.470 1.00 0.00 C ATOM 0 HA PRO A 97 11.623 5.204 -15.144 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.071 8.176 -15.573 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.337 7.196 -16.286 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.188 7.745 -17.802 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.794 6.101 -17.821 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.473 7.239 -16.189 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.512 5.753 -17.117 1.00 0.00 H new ATOM 1201 N LEU A 98 10.223 7.030 -12.850 1.00 0.00 N ATOM 1202 CA LEU A 98 10.317 7.321 -11.409 1.00 0.00 C ATOM 1203 C LEU A 98 10.437 6.021 -10.603 1.00 0.00 C ATOM 1204 O LEU A 98 11.312 5.867 -9.749 1.00 0.00 O ATOM 1205 CB LEU A 98 9.068 8.086 -10.924 1.00 0.00 C ATOM 1206 CG LEU A 98 9.005 9.587 -11.253 1.00 0.00 C ATOM 1207 CD1 LEU A 98 8.818 9.905 -12.736 1.00 0.00 C ATOM 1208 CD2 LEU A 98 7.825 10.181 -10.479 1.00 0.00 C ATOM 0 H LEU A 98 9.325 7.285 -13.262 1.00 0.00 H new ATOM 0 HA LEU A 98 11.205 7.934 -11.254 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.188 7.607 -11.353 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.998 7.972 -9.842 1.00 0.00 H new ATOM 0 HG LEU A 98 9.966 10.016 -10.970 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.785 10.986 -12.875 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.651 9.492 -13.305 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.885 9.465 -13.088 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.751 11.248 -10.690 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.903 9.686 -10.785 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.979 10.033 -9.410 1.00 0.00 H new ATOM 1220 N TYR A 99 9.572 5.054 -10.903 1.00 0.00 N ATOM 1221 CA TYR A 99 9.561 3.771 -10.209 1.00 0.00 C ATOM 1222 C TYR A 99 10.845 2.978 -10.476 1.00 0.00 C ATOM 1223 O TYR A 99 11.350 2.332 -9.564 1.00 0.00 O ATOM 1224 CB TYR A 99 8.310 2.974 -10.600 1.00 0.00 C ATOM 1225 CG TYR A 99 7.001 3.595 -10.142 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.351 4.561 -10.938 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.425 3.193 -8.921 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.128 5.116 -10.518 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.189 3.731 -8.509 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.535 4.693 -9.309 1.00 0.00 C ATOM 1231 OH TYR A 99 3.330 5.206 -8.933 1.00 0.00 O ATOM 0 H TYR A 99 8.863 5.138 -11.631 1.00 0.00 H new ATOM 0 HA TYR A 99 9.526 3.958 -9.136 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.287 2.866 -11.684 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.388 1.971 -10.182 1.00 0.00 H new ATOM 0 HD1 TYR A 99 6.793 4.875 -11.872 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.932 2.470 -8.299 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.642 5.868 -11.122 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.742 3.407 -7.581 1.00 0.00 H new ATOM 0 HH TYR A 99 3.466 6.067 -8.485 1.00 0.00 H new ATOM 1241 N ASP A 100 11.449 3.096 -11.663 1.00 0.00 N ATOM 1242 CA ASP A 100 12.760 2.495 -11.946 1.00 0.00 C ATOM 1243 C ASP A 100 13.921 3.192 -11.216 1.00 0.00 C ATOM 1244 O ASP A 100 14.890 2.550 -10.811 1.00 0.00 O ATOM 1245 CB ASP A 100 13.015 2.465 -13.451 1.00 0.00 C ATOM 1246 CG ASP A 100 14.100 1.427 -13.800 1.00 0.00 C ATOM 1247 OD1 ASP A 100 13.971 0.248 -13.383 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.077 1.786 -14.499 1.00 0.00 O ATOM 0 H ASP A 100 11.048 3.606 -12.450 1.00 0.00 H new ATOM 0 HA ASP A 100 12.724 1.476 -11.561 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.091 2.223 -13.977 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.326 3.452 -13.792 1.00 0.00 H new ATOM 1253 N MET A 101 13.802 4.502 -10.990 1.00 0.00 N ATOM 1254 CA MET A 101 14.692 5.286 -10.128 1.00 0.00 C ATOM 1255 C MET A 101 14.589 4.813 -8.658 1.00 0.00 C ATOM 1256 O MET A 101 15.591 4.789 -7.943 1.00 0.00 O ATOM 1257 CB MET A 101 14.355 6.783 -10.347 1.00 0.00 C ATOM 1258 CG MET A 101 14.348 7.663 -9.096 1.00 0.00 C ATOM 1259 SD MET A 101 13.638 9.319 -9.342 1.00 0.00 S ATOM 1260 CE MET A 101 12.063 9.143 -8.446 1.00 0.00 C ATOM 0 H MET A 101 13.063 5.064 -11.413 1.00 0.00 H new ATOM 0 HA MET A 101 15.740 5.138 -10.388 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.075 7.197 -11.053 1.00 0.00 H new ATOM 0 HB3 MET A 101 13.374 6.848 -10.817 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.787 7.154 -8.312 1.00 0.00 H new ATOM 0 HG3 MET A 101 15.372 7.770 -8.737 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.506 10.078 -8.503 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.476 8.343 -8.896 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.263 8.903 -7.402 1.00 0.00 H new ATOM 1270 N LEU A 102 13.389 4.415 -8.209 1.00 0.00 N ATOM 1271 CA LEU A 102 13.091 4.049 -6.816 1.00 0.00 C ATOM 1272 C LEU A 102 13.328 2.569 -6.492 1.00 0.00 C ATOM 1273 O LEU A 102 13.896 2.289 -5.441 1.00 0.00 O ATOM 1274 CB LEU A 102 11.647 4.482 -6.486 1.00 0.00 C ATOM 1275 CG LEU A 102 11.470 6.012 -6.495 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.996 6.393 -6.583 1.00 0.00 C ATOM 1277 CD2 LEU A 102 12.082 6.659 -5.250 1.00 0.00 C ATOM 0 H LEU A 102 12.577 4.337 -8.821 1.00 0.00 H new ATOM 0 HA LEU A 102 13.797 4.581 -6.179 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.964 4.037 -7.209 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.370 4.094 -5.506 1.00 0.00 H new ATOM 0 HG LEU A 102 11.993 6.383 -7.376 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.901 7.479 -6.588 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.569 5.987 -7.500 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.463 5.986 -5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.937 7.739 -5.293 1.00 0.00 H new ATOM 0 HD22 LEU A 102 11.597 6.263 -4.358 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.149 6.437 -5.212 1.00 0.00 H new ATOM 1289 N ARG A 103 12.966 1.627 -7.373 1.00 0.00 N ATOM 1290 CA ARG A 103 13.023 0.159 -7.145 1.00 0.00 C ATOM 1291 C ARG A 103 14.411 -0.395 -6.809 1.00 0.00 C ATOM 1292 O ARG A 103 14.538 -1.411 -6.129 1.00 0.00 O ATOM 1293 CB ARG A 103 12.416 -0.570 -8.363 1.00 0.00 C ATOM 1294 CG ARG A 103 13.136 -0.386 -9.714 1.00 0.00 C ATOM 1295 CD ARG A 103 14.200 -1.433 -10.073 1.00 0.00 C ATOM 1296 NE ARG A 103 13.599 -2.734 -10.425 1.00 0.00 N ATOM 1297 CZ ARG A 103 13.178 -3.131 -11.616 1.00 0.00 C ATOM 1298 NH1 ARG A 103 13.218 -2.377 -12.681 1.00 0.00 N ATOM 1299 NH2 ARG A 103 12.693 -4.331 -11.762 1.00 0.00 N ATOM 0 H ARG A 103 12.612 1.864 -8.300 1.00 0.00 H new ATOM 0 HA ARG A 103 12.434 -0.032 -6.248 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.382 -1.636 -8.139 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.385 -0.236 -8.479 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.384 -0.380 -10.503 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.609 0.596 -9.717 1.00 0.00 H new ATOM 0 HD2 ARG A 103 14.797 -1.071 -10.910 1.00 0.00 H new ATOM 0 HD3 ARG A 103 14.879 -1.563 -9.230 1.00 0.00 H new ATOM 0 HE ARG A 103 13.496 -3.405 -9.663 1.00 0.00 H new ATOM 0 HH11 ARG A 103 13.588 -1.428 -12.621 1.00 0.00 H new ATOM 0 HH12 ARG A 103 12.879 -2.737 -13.573 1.00 0.00 H new ATOM 0 HH21 ARG A 103 12.639 -4.960 -10.961 1.00 0.00 H new ATOM 0 HH22 ARG A 103 12.367 -4.642 -12.677 1.00 0.00 H new ATOM 1313 N LYS A 104 15.446 0.295 -7.294 1.00 0.00 N ATOM 1314 CA LYS A 104 16.870 0.029 -6.997 1.00 0.00 C ATOM 1315 C LYS A 104 17.306 0.554 -5.624 1.00 0.00 C ATOM 1316 O LYS A 104 18.286 0.065 -5.059 1.00 0.00 O ATOM 1317 CB LYS A 104 17.760 0.703 -8.060 1.00 0.00 C ATOM 1318 CG LYS A 104 17.380 0.324 -9.497 1.00 0.00 C ATOM 1319 CD LYS A 104 18.360 0.866 -10.548 1.00 0.00 C ATOM 1320 CE LYS A 104 18.359 2.402 -10.607 1.00 0.00 C ATOM 1321 NZ LYS A 104 19.289 2.906 -11.656 1.00 0.00 N ATOM 0 H LYS A 104 15.319 1.084 -7.928 1.00 0.00 H new ATOM 0 HA LYS A 104 16.984 -1.055 -7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.693 1.785 -7.947 1.00 0.00 H new ATOM 0 HB3 LYS A 104 18.799 0.428 -7.882 1.00 0.00 H new ATOM 0 HG2 LYS A 104 17.334 -0.762 -9.579 1.00 0.00 H new ATOM 0 HG3 LYS A 104 16.381 0.702 -9.713 1.00 0.00 H new ATOM 0 HD2 LYS A 104 19.366 0.514 -10.320 1.00 0.00 H new ATOM 0 HD3 LYS A 104 18.097 0.467 -11.527 1.00 0.00 H new ATOM 0 HE2 LYS A 104 17.350 2.759 -10.811 1.00 0.00 H new ATOM 0 HE3 LYS A 104 18.649 2.805 -9.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 19.265 3.946 -11.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 20.256 2.585 -11.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 18.996 2.540 -12.584 1.00 0.00 H new ATOM 1335 N ASN A 105 16.598 1.565 -5.114 1.00 0.00 N ATOM 1336 CA ASN A 105 17.000 2.360 -3.956 1.00 0.00 C ATOM 1337 C ASN A 105 16.206 2.057 -2.663 1.00 0.00 C ATOM 1338 O ASN A 105 16.818 1.874 -1.608 1.00 0.00 O ATOM 1339 CB ASN A 105 16.921 3.821 -4.440 1.00 0.00 C ATOM 1340 CG ASN A 105 17.845 4.781 -3.700 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.466 4.469 -2.695 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.962 5.999 -4.182 1.00 0.00 N ATOM 0 H ASN A 105 15.704 1.860 -5.508 1.00 0.00 H new ATOM 0 HA ASN A 105 18.010 2.110 -3.630 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.161 3.852 -5.503 1.00 0.00 H new ATOM 0 HB3 ASN A 105 15.894 4.171 -4.335 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.568 6.675 -3.717 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.447 6.267 -5.021 1.00 0.00 H new ATOM 1349 N LEU A 106 14.870 1.942 -2.729 1.00 0.00 N ATOM 1350 CA LEU A 106 14.002 1.454 -1.652 1.00 0.00 C ATOM 1351 C LEU A 106 13.473 0.033 -1.910 1.00 0.00 C ATOM 1352 O LEU A 106 13.595 -0.516 -3.006 1.00 0.00 O ATOM 1353 CB LEU A 106 12.873 2.466 -1.383 1.00 0.00 C ATOM 1354 CG LEU A 106 12.034 2.933 -2.584 1.00 0.00 C ATOM 1355 CD1 LEU A 106 11.364 1.813 -3.380 1.00 0.00 C ATOM 1356 CD2 LEU A 106 10.957 3.891 -2.080 1.00 0.00 C ATOM 0 H LEU A 106 14.347 2.197 -3.567 1.00 0.00 H new ATOM 0 HA LEU A 106 14.605 1.372 -0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 106 12.196 2.027 -0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.316 3.348 -0.919 1.00 0.00 H new ATOM 0 HG LEU A 106 12.731 3.410 -3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.796 2.243 -4.205 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.126 1.141 -3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.691 1.256 -2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.352 4.232 -2.920 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.321 3.377 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.429 4.749 -1.600 1.00 0.00 H new ATOM 1368 N VAL A 107 12.850 -0.542 -0.877 1.00 0.00 N ATOM 1369 CA VAL A 107 12.083 -1.800 -0.952 1.00 0.00 C ATOM 1370 C VAL A 107 10.561 -1.611 -0.973 1.00 0.00 C ATOM 1371 O VAL A 107 9.836 -2.466 -1.481 1.00 0.00 O ATOM 1372 CB VAL A 107 12.521 -2.782 0.148 1.00 0.00 C ATOM 1373 CG1 VAL A 107 13.953 -3.274 -0.086 1.00 0.00 C ATOM 1374 CG2 VAL A 107 12.423 -2.193 1.560 1.00 0.00 C ATOM 0 H VAL A 107 12.862 -0.140 0.060 1.00 0.00 H new ATOM 0 HA VAL A 107 12.325 -2.235 -1.922 1.00 0.00 H new ATOM 0 HB VAL A 107 11.823 -3.617 0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 107 14.234 -3.966 0.708 1.00 0.00 H new ATOM 0 HG12 VAL A 107 14.010 -3.783 -1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 107 14.635 -2.424 -0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 107 12.746 -2.937 2.288 1.00 0.00 H new ATOM 0 HG22 VAL A 107 13.062 -1.313 1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 107 11.391 -1.910 1.765 1.00 0.00 H new ATOM 1384 N THR A 108 10.117 -0.452 -0.485 1.00 0.00 N ATOM 1385 CA THR A 108 8.732 0.057 -0.386 1.00 0.00 C ATOM 1386 C THR A 108 7.710 -0.957 0.183 1.00 0.00 C ATOM 1387 O THR A 108 8.079 -1.961 0.800 1.00 0.00 O ATOM 1388 CB THR A 108 8.322 0.779 -1.689 1.00 0.00 C ATOM 1389 OG1 THR A 108 7.161 1.553 -1.467 1.00 0.00 O ATOM 1390 CG2 THR A 108 8.059 -0.109 -2.903 1.00 0.00 C ATOM 0 H THR A 108 10.778 0.228 -0.109 1.00 0.00 H new ATOM 0 HA THR A 108 8.716 0.820 0.392 1.00 0.00 H new ATOM 0 HB THR A 108 9.197 1.381 -1.936 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.908 2.009 -2.297 1.00 0.00 H new ATOM 0 HG21 THR A 108 7.780 0.512 -3.754 1.00 0.00 H new ATOM 0 HG22 THR A 108 8.961 -0.672 -3.144 1.00 0.00 H new ATOM 0 HG23 THR A 108 7.248 -0.802 -2.678 1.00 0.00 H new ATOM 1398 N LEU A 109 6.413 -0.657 0.074 1.00 0.00 N ATOM 1399 CA LEU A 109 5.307 -1.500 0.547 1.00 0.00 C ATOM 1400 C LEU A 109 5.053 -2.697 -0.393 1.00 0.00 C ATOM 1401 O LEU A 109 5.259 -2.606 -1.607 1.00 0.00 O ATOM 1402 CB LEU A 109 4.036 -0.644 0.726 1.00 0.00 C ATOM 1403 CG LEU A 109 4.169 0.543 1.702 1.00 0.00 C ATOM 1404 CD1 LEU A 109 2.845 1.305 1.768 1.00 0.00 C ATOM 1405 CD2 LEU A 109 4.538 0.104 3.121 1.00 0.00 C ATOM 0 H LEU A 109 6.091 0.208 -0.360 1.00 0.00 H new ATOM 0 HA LEU A 109 5.586 -1.919 1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.738 -0.259 -0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.230 -1.290 1.074 1.00 0.00 H new ATOM 0 HG LEU A 109 4.972 1.173 1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.942 2.143 2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.591 1.679 0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.058 0.637 2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.618 0.981 3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.766 -0.561 3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.493 -0.421 3.103 1.00 0.00 H new ATOM 1417 N ALA A 110 4.579 -3.813 0.172 1.00 0.00 N ATOM 1418 CA ALA A 110 4.275 -5.057 -0.544 1.00 0.00 C ATOM 1419 C ALA A 110 3.134 -5.856 0.113 1.00 0.00 C ATOM 1420 O ALA A 110 2.666 -5.522 1.207 1.00 0.00 O ATOM 1421 CB ALA A 110 5.540 -5.916 -0.603 1.00 0.00 C ATOM 0 H ALA A 110 4.390 -3.877 1.172 1.00 0.00 H new ATOM 0 HA ALA A 110 3.940 -4.791 -1.547 1.00 0.00 H new ATOM 0 HB1 ALA A 110 5.325 -6.844 -1.133 1.00 0.00 H new ATOM 0 HB2 ALA A 110 6.325 -5.372 -1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 110 5.872 -6.145 0.410 1.00 0.00 H new ATOM 1427 N THR A 111 2.686 -6.920 -0.564 1.00 0.00 N ATOM 1428 CA THR A 111 1.533 -7.737 -0.151 1.00 0.00 C ATOM 1429 C THR A 111 1.548 -9.164 -0.709 1.00 0.00 C ATOM 1430 O THR A 111 2.274 -9.475 -1.667 1.00 0.00 O ATOM 1431 CB THR A 111 0.250 -7.001 -0.547 1.00 0.00 C ATOM 1432 OG1 THR A 111 -0.859 -7.592 0.100 1.00 0.00 O ATOM 1433 CG2 THR A 111 -0.034 -6.958 -2.053 1.00 0.00 C ATOM 0 H THR A 111 3.120 -7.245 -1.428 1.00 0.00 H new ATOM 0 HA THR A 111 1.587 -7.862 0.930 1.00 0.00 H new ATOM 0 HB THR A 111 0.406 -5.969 -0.232 1.00 0.00 H new ATOM 0 HG1 THR A 111 -1.678 -7.117 -0.155 1.00 0.00 H new ATOM 0 HG21 THR A 111 -0.963 -6.416 -2.233 1.00 0.00 H new ATOM 0 HG22 THR A 111 0.786 -6.452 -2.564 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.127 -7.975 -2.435 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 49H A 200 -1.324 13.579 -11.703 1.00 0.00 N HETATM 1443 CG1 49H A 200 1.911 13.532 -11.113 1.00 0.00 C HETATM 1444 CG2 49H A 200 -0.276 11.683 -10.340 1.00 0.00 C HETATM 1445 CG3 49H A 200 -1.260 15.252 -13.455 1.00 0.00 C HETATM 1446 CD1 49H A 200 2.108 13.472 -12.498 1.00 0.00 C HETATM 1447 CD2 49H A 200 2.906 13.035 -10.266 1.00 0.00 C HETATM 1448 CD3 49H A 200 -0.280 10.823 -11.444 1.00 0.00 C HETATM 1449 CD4 49H A 200 -0.042 11.154 -9.067 1.00 0.00 C HETATM 1450 CD5 49H A 200 -2.355 14.663 -14.109 1.00 0.00 C HETATM 1451 CD6 49H A 200 -0.565 16.273 -14.129 1.00 0.00 C HETATM 1452 CE1 49H A 200 3.272 12.912 -13.024 1.00 0.00 C HETATM 1453 CE2 49H A 200 4.070 12.478 -10.792 1.00 0.00 C HETATM 1454 CE3 49H A 200 -0.080 9.455 -11.266 1.00 0.00 C HETATM 1455 CE4 49H A 200 0.148 9.785 -8.891 1.00 0.00 C HETATM 1456 CE5 49H A 200 -2.766 15.090 -15.369 1.00 0.00 C HETATM 1457 CE6 49H A 200 -1.000 16.708 -15.385 1.00 0.00 C HETATM 1458 CZ1 49H A 200 4.248 12.412 -12.170 1.00 0.00 C HETATM 1459 CZ2 49H A 200 0.123 8.933 -9.992 1.00 0.00 C HETATM 1460 CZ3 49H A 200 -2.088 16.121 -16.011 1.00 0.00 C HETATM 1461 CL1 49H A 200 5.678 11.701 -12.829 1.00 0.00 CL HETATM 1462 CL2 49H A 200 -0.111 8.391 -12.626 1.00 0.00 CL HETATM 1463 CM1 49H A 200 -3.568 16.070 -18.010 1.00 0.00 C HETATM 1464 CM2 49H A 200 2.327 16.485 -15.293 1.00 0.00 C HETATM 1465 CM3 49H A 200 2.643 18.015 -13.306 1.00 0.00 C HETATM 1466 C1 49H A 200 -1.276 19.881 -10.037 1.00 0.00 C HETATM 1467 N1 49H A 200 -2.510 19.420 -9.795 1.00 0.00 N HETATM 1468 O1 49H A 200 -1.051 21.052 -9.797 1.00 0.00 O HETATM 1469 C2 49H A 200 -2.928 18.033 -10.006 1.00 0.00 C HETATM 1470 N2 49H A 200 -0.596 17.486 -10.803 1.00 0.00 N HETATM 1471 C3 49H A 200 -2.048 17.283 -11.024 1.00 0.00 C HETATM 1472 N3 49H A 200 0.106 15.272 -11.251 1.00 0.00 N HETATM 1473 O3 49H A 200 -2.431 16.576 -17.270 1.00 0.00 O HETATM 1474 C4 49H A 200 -0.216 18.912 -10.561 1.00 0.00 C HETATM 1475 C5 49H A 200 0.365 16.513 -10.782 1.00 0.00 C HETATM 1476 O5 49H A 200 1.452 16.752 -10.285 1.00 0.00 O HETATM 1477 C6 49H A 200 -0.894 14.718 -12.099 1.00 0.00 C HETATM 1478 O6 49H A 200 0.591 16.807 -13.590 1.00 0.00 O HETATM 1479 C7 49H A 200 -0.583 13.174 -10.478 1.00 0.00 C HETATM 1480 C8 49H A 200 0.639 14.128 -10.500 1.00 0.00 C HETATM 1481 C9 49H A 200 1.638 17.478 -14.334 1.00 0.00 C