USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 618 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 Single : A 1 ASN : amide:sc= -0.147 X(o=-0.15,f=-0.11) USER MOD Single : A 1 ASN N :NH3+ 144:sc= 0.0368 (180deg=-0.207) USER MOD Single : A 2 LYS NZ :NH3+ -166:sc= -0.0133 (180deg=-0.172) USER MOD Single : A 8 GLN : amide:sc= -0.143 K(o=-0.14,f=-3.2!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -171:sc= -0.716 (180deg=-0.956) USER MOD Single : A 18 TYR OH : rot 165:sc= -5.02! USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -166:sc= -0.674 (180deg=-1.12) USER MOD Single : A 23 GLN : amide:sc= -2.23 K(o=-2.2,f=-2.8) USER MOD Single : A 24 THR OG1 : rot -23:sc= 0.585 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -74:sc= -1.8! USER MOD Single : A 36 GLN : amide:sc= -0.599 K(o=-0.6,f=-1.9) USER MOD Single : A 37 GLN : amide:sc= -0.162 K(o=-0.16,f=-2.4!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -155:sc= -2.48 (180deg=-3.18!) USER MOD Single : A 48 GLN : amide:sc= -2.19 K(o=-2.2,f=-0.89) USER MOD Single : A 49 MET CE :methyl -133:sc= -0.32 (180deg=-4.06!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -3.37 K(o=-3.4,f=-5!) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.238 USER MOD Single : A 60 ASN : amide:sc= -2.08 K(o=-2.1,f=-3.1!) USER MOD Single : A 62 THR OG1 : rot -76:sc= -1.03 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -15.099 -0.329 -7.284 1.00 0.00 N ATOM 2 CA ASN A 1 -15.225 -0.997 -5.963 1.00 0.00 C ATOM 3 C ASN A 1 -15.509 -2.487 -6.125 1.00 0.00 C ATOM 4 O ASN A 1 -16.071 -2.917 -7.133 1.00 0.00 O ATOM 5 CB ASN A 1 -16.357 -0.325 -5.183 1.00 0.00 C ATOM 6 CG ASN A 1 -17.658 -0.298 -5.961 1.00 0.00 C ATOM 7 OD1 ASN A 1 -17.946 0.660 -6.677 1.00 0.00 O ATOM 8 ND2 ASN A 1 -18.452 -1.353 -5.823 1.00 0.00 N ATOM 0 H1 ASN A 1 -15.503 0.628 -7.229 1.00 0.00 H new ATOM 0 H2 ASN A 1 -14.095 -0.266 -7.547 1.00 0.00 H new ATOM 0 H3 ASN A 1 -15.611 -0.880 -8.002 1.00 0.00 H new ATOM 0 HA ASN A 1 -14.285 -0.899 -5.420 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -16.510 -0.854 -4.242 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -16.066 0.695 -4.932 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -19.341 -1.391 -6.322 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -18.173 -2.126 -5.218 1.00 0.00 H new ATOM 16 N LYS A 2 -15.115 -3.271 -5.125 1.00 0.00 N ATOM 17 CA LYS A 2 -15.328 -4.714 -5.157 1.00 0.00 C ATOM 18 C LYS A 2 -15.951 -5.200 -3.852 1.00 0.00 C ATOM 19 O LYS A 2 -17.138 -5.522 -3.803 1.00 0.00 O ATOM 20 CB LYS A 2 -14.004 -5.439 -5.405 1.00 0.00 C ATOM 21 CG LYS A 2 -13.543 -5.385 -6.851 1.00 0.00 C ATOM 22 CD LYS A 2 -13.995 -6.611 -7.627 1.00 0.00 C ATOM 23 CE LYS A 2 -13.203 -7.847 -7.229 1.00 0.00 C ATOM 24 NZ LYS A 2 -11.789 -7.772 -7.689 1.00 0.00 N ATOM 0 H LYS A 2 -14.648 -2.932 -4.284 1.00 0.00 H new ATOM 0 HA LYS A 2 -16.016 -4.938 -5.972 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.234 -5.000 -4.770 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.108 -6.481 -5.104 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -13.937 -4.487 -7.326 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.456 -5.312 -6.885 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.056 -6.785 -7.449 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.877 -6.430 -8.695 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.227 -7.960 -6.145 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.676 -8.733 -7.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -11.349 -8.711 -7.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.762 -7.455 -8.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -11.266 -7.097 -7.095 1.00 0.00 H new ATOM 38 N GLU A 3 -15.143 -5.249 -2.799 1.00 0.00 N ATOM 39 CA GLU A 3 -15.615 -5.696 -1.493 1.00 0.00 C ATOM 40 C GLU A 3 -15.045 -4.822 -0.381 1.00 0.00 C ATOM 41 O GLU A 3 -15.791 -4.210 0.384 1.00 0.00 O ATOM 42 CB GLU A 3 -15.227 -7.157 -1.260 1.00 0.00 C ATOM 43 CG GLU A 3 -16.232 -8.150 -1.818 1.00 0.00 C ATOM 44 CD GLU A 3 -15.867 -8.631 -3.209 1.00 0.00 C ATOM 45 OE1 GLU A 3 -14.710 -9.060 -3.404 1.00 0.00 O ATOM 46 OE2 GLU A 3 -16.736 -8.576 -4.103 1.00 0.00 O ATOM 0 H GLU A 3 -14.158 -4.985 -2.824 1.00 0.00 H new ATOM 0 HA GLU A 3 -16.701 -5.610 -1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.254 -7.343 -1.715 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -15.116 -7.328 -0.189 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -16.301 -9.007 -1.148 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -17.218 -7.687 -1.845 1.00 0.00 H new ATOM 53 N LEU A 4 -13.720 -4.769 -0.296 1.00 0.00 N ATOM 54 CA LEU A 4 -13.047 -3.972 0.722 1.00 0.00 C ATOM 55 C LEU A 4 -13.325 -4.523 2.115 1.00 0.00 C ATOM 56 O LEU A 4 -14.393 -4.296 2.683 1.00 0.00 O ATOM 57 CB LEU A 4 -13.496 -2.509 0.645 1.00 0.00 C ATOM 58 CG LEU A 4 -12.599 -1.516 1.388 1.00 0.00 C ATOM 59 CD1 LEU A 4 -12.942 -0.088 0.990 1.00 0.00 C ATOM 60 CD2 LEU A 4 -12.730 -1.697 2.895 1.00 0.00 C ATOM 0 H LEU A 4 -13.090 -5.270 -0.922 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.975 -4.025 0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.547 -2.215 -0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.506 -2.433 1.047 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.564 -1.713 1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.295 0.605 1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.795 0.036 -0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -13.983 0.119 1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.084 -0.982 3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -13.765 -1.529 3.193 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.435 -2.710 3.167 1.00 0.00 H new ATOM 72 N ASP A 5 -12.353 -5.243 2.664 1.00 0.00 N ATOM 73 CA ASP A 5 -12.493 -5.817 3.995 1.00 0.00 C ATOM 74 C ASP A 5 -12.456 -4.718 5.052 1.00 0.00 C ATOM 75 O ASP A 5 -11.766 -3.714 4.884 1.00 0.00 O ATOM 76 CB ASP A 5 -11.380 -6.835 4.256 1.00 0.00 C ATOM 77 CG ASP A 5 -11.750 -8.229 3.791 1.00 0.00 C ATOM 78 OD1 ASP A 5 -12.502 -8.345 2.800 1.00 0.00 O ATOM 79 OD2 ASP A 5 -11.289 -9.206 4.417 1.00 0.00 O ATOM 0 H ASP A 5 -11.462 -5.442 2.209 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.455 -6.327 4.052 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -10.471 -6.514 3.746 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.156 -6.858 5.322 1.00 0.00 H new ATOM 84 N PRO A 6 -13.199 -4.887 6.158 1.00 0.00 N ATOM 85 CA PRO A 6 -13.242 -3.893 7.236 1.00 0.00 C ATOM 86 C PRO A 6 -11.923 -3.802 8.000 1.00 0.00 C ATOM 87 O PRO A 6 -11.887 -3.984 9.217 1.00 0.00 O ATOM 88 CB PRO A 6 -14.360 -4.404 8.148 1.00 0.00 C ATOM 89 CG PRO A 6 -14.417 -5.870 7.892 1.00 0.00 C ATOM 90 CD PRO A 6 -14.057 -6.052 6.444 1.00 0.00 C ATOM 0 HA PRO A 6 -13.414 -2.887 6.854 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -14.144 -4.193 9.195 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -15.311 -3.924 7.916 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -13.721 -6.406 8.537 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -15.412 -6.264 8.099 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.529 -6.991 6.276 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -14.942 -6.065 5.808 1.00 0.00 H new ATOM 98 N VAL A 7 -10.845 -3.512 7.276 1.00 0.00 N ATOM 99 CA VAL A 7 -9.519 -3.389 7.873 1.00 0.00 C ATOM 100 C VAL A 7 -8.455 -3.233 6.793 1.00 0.00 C ATOM 101 O VAL A 7 -7.539 -2.421 6.922 1.00 0.00 O ATOM 102 CB VAL A 7 -9.168 -4.609 8.752 1.00 0.00 C ATOM 103 CG1 VAL A 7 -9.210 -5.890 7.933 1.00 0.00 C ATOM 104 CG2 VAL A 7 -7.804 -4.428 9.402 1.00 0.00 C ATOM 0 H VAL A 7 -10.865 -3.357 6.268 1.00 0.00 H new ATOM 0 HA VAL A 7 -9.538 -2.501 8.504 1.00 0.00 H new ATOM 0 HB VAL A 7 -9.914 -4.687 9.543 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -8.960 -6.738 8.571 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.211 -6.027 7.523 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -8.490 -5.824 7.118 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.576 -5.298 10.017 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.044 -4.321 8.628 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.814 -3.535 10.027 1.00 0.00 H new ATOM 114 N GLN A 8 -8.585 -4.014 5.725 1.00 0.00 N ATOM 115 CA GLN A 8 -7.637 -3.962 4.616 1.00 0.00 C ATOM 116 C GLN A 8 -7.500 -2.538 4.089 1.00 0.00 C ATOM 117 O GLN A 8 -6.438 -2.144 3.605 1.00 0.00 O ATOM 118 CB GLN A 8 -8.088 -4.895 3.490 1.00 0.00 C ATOM 119 CG GLN A 8 -7.144 -4.915 2.299 1.00 0.00 C ATOM 120 CD GLN A 8 -7.694 -4.159 1.106 1.00 0.00 C ATOM 121 OE1 GLN A 8 -7.846 -2.938 1.146 1.00 0.00 O ATOM 122 NE2 GLN A 8 -7.997 -4.884 0.036 1.00 0.00 N ATOM 0 H GLN A 8 -9.338 -4.691 5.604 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.664 -4.291 4.982 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.183 -5.907 3.884 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.079 -4.590 3.152 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.188 -4.480 2.591 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.950 -5.948 2.011 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -7.855 -5.894 0.047 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.372 -4.431 -0.797 1.00 0.00 H new ATOM 131 N LYS A 9 -8.579 -1.769 4.191 1.00 0.00 N ATOM 132 CA LYS A 9 -8.575 -0.387 3.728 1.00 0.00 C ATOM 133 C LYS A 9 -7.620 0.455 4.568 1.00 0.00 C ATOM 134 O LYS A 9 -6.804 1.206 4.033 1.00 0.00 O ATOM 135 CB LYS A 9 -9.987 0.201 3.789 1.00 0.00 C ATOM 136 CG LYS A 9 -10.530 0.345 5.202 1.00 0.00 C ATOM 137 CD LYS A 9 -11.986 0.783 5.197 1.00 0.00 C ATOM 138 CE LYS A 9 -12.278 1.758 6.326 1.00 0.00 C ATOM 139 NZ LYS A 9 -12.087 1.132 7.663 1.00 0.00 N ATOM 0 H LYS A 9 -9.465 -2.079 4.589 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.234 -0.373 2.693 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.984 1.180 3.309 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.660 -0.434 3.214 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.437 -0.605 5.727 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.932 1.073 5.750 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.223 1.250 4.241 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.630 -0.091 5.294 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.625 2.626 6.235 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.302 2.120 6.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.296 1.829 8.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.729 0.319 7.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.103 0.809 7.758 1.00 0.00 H new ATOM 153 N LEU A 10 -7.723 0.316 5.885 1.00 0.00 N ATOM 154 CA LEU A 10 -6.861 1.055 6.798 1.00 0.00 C ATOM 155 C LEU A 10 -5.405 0.668 6.575 1.00 0.00 C ATOM 156 O LEU A 10 -4.507 1.505 6.657 1.00 0.00 O ATOM 157 CB LEU A 10 -7.261 0.775 8.248 1.00 0.00 C ATOM 158 CG LEU A 10 -6.866 1.858 9.252 1.00 0.00 C ATOM 159 CD1 LEU A 10 -5.368 2.116 9.197 1.00 0.00 C ATOM 160 CD2 LEU A 10 -7.642 3.139 8.986 1.00 0.00 C ATOM 0 H LEU A 10 -8.394 -0.301 6.343 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.977 2.121 6.601 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.342 0.639 8.290 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.809 -0.167 8.557 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.116 1.508 10.254 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.105 2.890 9.918 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.832 1.198 9.438 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.092 2.445 8.195 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.348 3.899 9.710 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.424 3.494 7.979 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.710 2.943 9.079 1.00 0.00 H new ATOM 172 N PHE A 11 -5.186 -0.608 6.282 1.00 0.00 N ATOM 173 CA PHE A 11 -3.844 -1.117 6.032 1.00 0.00 C ATOM 174 C PHE A 11 -3.258 -0.474 4.784 1.00 0.00 C ATOM 175 O PHE A 11 -2.141 0.041 4.809 1.00 0.00 O ATOM 176 CB PHE A 11 -3.880 -2.641 5.886 1.00 0.00 C ATOM 177 CG PHE A 11 -2.557 -3.248 5.511 1.00 0.00 C ATOM 178 CD1 PHE A 11 -1.422 -2.985 6.258 1.00 0.00 C ATOM 179 CD2 PHE A 11 -2.453 -4.082 4.411 1.00 0.00 C ATOM 180 CE1 PHE A 11 -0.206 -3.541 5.915 1.00 0.00 C ATOM 181 CE2 PHE A 11 -1.240 -4.644 4.063 1.00 0.00 C ATOM 182 CZ PHE A 11 -0.114 -4.372 4.815 1.00 0.00 C ATOM 0 H PHE A 11 -5.922 -1.310 6.212 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.207 -0.863 6.879 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.216 -3.078 6.826 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -4.618 -2.906 5.129 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.488 -2.337 7.119 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.330 -4.296 3.818 1.00 0.00 H new ATOM 0 HE1 PHE A 11 0.672 -3.327 6.506 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.172 -5.295 3.204 1.00 0.00 H new ATOM 0 HZ PHE A 11 0.836 -4.808 4.544 1.00 0.00 H new ATOM 192 N VAL A 12 -4.020 -0.491 3.694 1.00 0.00 N ATOM 193 CA VAL A 12 -3.564 0.111 2.448 1.00 0.00 C ATOM 194 C VAL A 12 -3.179 1.567 2.668 1.00 0.00 C ATOM 195 O VAL A 12 -2.374 2.128 1.925 1.00 0.00 O ATOM 196 CB VAL A 12 -4.642 0.029 1.350 1.00 0.00 C ATOM 197 CG1 VAL A 12 -4.108 0.572 0.033 1.00 0.00 C ATOM 198 CG2 VAL A 12 -5.131 -1.403 1.186 1.00 0.00 C ATOM 0 H VAL A 12 -4.948 -0.912 3.649 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.691 -0.452 2.118 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.489 0.645 1.653 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.884 0.505 -0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.814 1.614 0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.243 -0.014 -0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.892 -1.441 0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.294 -2.044 0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.558 -1.752 2.126 1.00 0.00 H new ATOM 208 N ASP A 13 -3.751 2.174 3.705 1.00 0.00 N ATOM 209 CA ASP A 13 -3.456 3.560 4.028 1.00 0.00 C ATOM 210 C ASP A 13 -2.355 3.651 5.080 1.00 0.00 C ATOM 211 O ASP A 13 -2.120 4.717 5.648 1.00 0.00 O ATOM 212 CB ASP A 13 -4.715 4.274 4.521 1.00 0.00 C ATOM 213 CG ASP A 13 -5.786 4.363 3.451 1.00 0.00 C ATOM 214 OD1 ASP A 13 -6.073 3.330 2.811 1.00 0.00 O ATOM 215 OD2 ASP A 13 -6.337 5.467 3.253 1.00 0.00 O ATOM 0 H ASP A 13 -4.419 1.726 4.332 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.106 4.051 3.120 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.114 3.745 5.387 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.453 5.278 4.853 1.00 0.00 H new ATOM 220 N LYS A 14 -1.662 2.538 5.320 1.00 0.00 N ATOM 221 CA LYS A 14 -0.572 2.517 6.279 1.00 0.00 C ATOM 222 C LYS A 14 0.710 2.177 5.551 1.00 0.00 C ATOM 223 O LYS A 14 1.774 2.716 5.857 1.00 0.00 O ATOM 224 CB LYS A 14 -0.855 1.528 7.420 1.00 0.00 C ATOM 225 CG LYS A 14 -0.354 0.112 7.171 1.00 0.00 C ATOM 226 CD LYS A 14 1.058 -0.080 7.699 1.00 0.00 C ATOM 227 CE LYS A 14 1.121 0.113 9.205 1.00 0.00 C ATOM 228 NZ LYS A 14 2.214 -0.686 9.823 1.00 0.00 N ATOM 0 H LYS A 14 -1.840 1.644 4.862 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.471 3.500 6.738 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.396 1.906 8.333 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.930 1.493 7.595 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.023 -0.602 7.651 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.376 -0.100 6.102 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.410 -1.080 7.444 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.729 0.628 7.212 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.272 1.169 9.429 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.167 -0.174 9.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.129 -0.648 10.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.144 -1.674 9.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.134 -0.295 9.537 1.00 0.00 H new ATOM 242 N ILE A 15 0.597 1.313 4.548 1.00 0.00 N ATOM 243 CA ILE A 15 1.753 0.963 3.754 1.00 0.00 C ATOM 244 C ILE A 15 2.049 2.093 2.770 1.00 0.00 C ATOM 245 O ILE A 15 3.135 2.180 2.201 1.00 0.00 O ATOM 246 CB ILE A 15 1.600 -0.370 2.984 1.00 0.00 C ATOM 247 CG1 ILE A 15 0.146 -0.606 2.557 1.00 0.00 C ATOM 248 CG2 ILE A 15 2.123 -1.527 3.827 1.00 0.00 C ATOM 249 CD1 ILE A 15 -0.567 -1.658 3.377 1.00 0.00 C ATOM 0 H ILE A 15 -0.271 0.853 4.274 1.00 0.00 H new ATOM 0 HA ILE A 15 2.580 0.822 4.450 1.00 0.00 H new ATOM 0 HB ILE A 15 2.196 -0.309 2.074 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.402 0.333 2.632 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.128 -0.902 1.508 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.010 -2.460 3.275 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.177 -1.365 4.054 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.557 -1.585 4.757 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.590 -1.769 3.016 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.044 -2.609 3.283 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.582 -1.355 4.424 1.00 0.00 H new ATOM 261 N ARG A 16 1.091 2.989 2.595 1.00 0.00 N ATOM 262 CA ARG A 16 1.299 4.121 1.718 1.00 0.00 C ATOM 263 C ARG A 16 1.870 5.282 2.522 1.00 0.00 C ATOM 264 O ARG A 16 2.044 6.384 2.003 1.00 0.00 O ATOM 265 CB ARG A 16 -0.006 4.526 1.026 1.00 0.00 C ATOM 266 CG ARG A 16 -1.006 5.205 1.949 1.00 0.00 C ATOM 267 CD ARG A 16 -0.998 6.714 1.767 1.00 0.00 C ATOM 268 NE ARG A 16 -1.247 7.419 3.022 1.00 0.00 N ATOM 269 CZ ARG A 16 -1.020 8.718 3.201 1.00 0.00 C ATOM 270 NH1 ARG A 16 -0.539 9.457 2.208 1.00 0.00 N ATOM 271 NH2 ARG A 16 -1.273 9.280 4.374 1.00 0.00 N ATOM 0 H ARG A 16 0.175 2.953 3.043 1.00 0.00 H new ATOM 0 HA ARG A 16 2.008 3.842 0.939 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.225 5.198 0.199 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.468 3.638 0.595 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.006 4.819 1.751 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.770 4.961 2.985 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.035 7.025 1.362 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.757 6.995 1.037 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.617 6.884 3.808 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.342 9.029 1.303 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.367 10.452 2.350 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.642 8.717 5.140 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.099 10.276 4.511 1.00 0.00 H new ATOM 285 N GLU A 17 2.157 5.020 3.802 1.00 0.00 N ATOM 286 CA GLU A 17 2.707 6.036 4.683 1.00 0.00 C ATOM 287 C GLU A 17 4.142 5.705 5.083 1.00 0.00 C ATOM 288 O GLU A 17 4.922 6.592 5.429 1.00 0.00 O ATOM 289 CB GLU A 17 1.838 6.175 5.929 1.00 0.00 C ATOM 290 CG GLU A 17 0.350 6.058 5.649 1.00 0.00 C ATOM 291 CD GLU A 17 -0.501 6.604 6.779 1.00 0.00 C ATOM 292 OE1 GLU A 17 -0.655 5.901 7.800 1.00 0.00 O ATOM 293 OE2 GLU A 17 -1.012 7.735 6.643 1.00 0.00 O ATOM 0 H GLU A 17 2.015 4.111 4.243 1.00 0.00 H new ATOM 0 HA GLU A 17 2.716 6.982 4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.125 5.409 6.649 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.037 7.140 6.394 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.114 6.594 4.730 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.097 5.011 5.482 1.00 0.00 H new ATOM 300 N TYR A 18 4.489 4.430 5.015 1.00 0.00 N ATOM 301 CA TYR A 18 5.835 3.985 5.348 1.00 0.00 C ATOM 302 C TYR A 18 6.662 3.825 4.070 1.00 0.00 C ATOM 303 O TYR A 18 7.883 3.973 4.089 1.00 0.00 O ATOM 304 CB TYR A 18 5.783 2.653 6.112 1.00 0.00 C ATOM 305 CG TYR A 18 5.703 1.480 5.180 1.00 0.00 C ATOM 306 CD1 TYR A 18 4.713 1.453 4.234 1.00 0.00 C ATOM 307 CD2 TYR A 18 6.619 0.441 5.210 1.00 0.00 C ATOM 308 CE1 TYR A 18 4.610 0.440 3.334 1.00 0.00 C ATOM 309 CE2 TYR A 18 6.525 -0.604 4.307 1.00 0.00 C ATOM 310 CZ TYR A 18 5.515 -0.599 3.365 1.00 0.00 C ATOM 311 OH TYR A 18 5.416 -1.627 2.455 1.00 0.00 O ATOM 0 H TYR A 18 3.856 3.682 4.731 1.00 0.00 H new ATOM 0 HA TYR A 18 6.305 4.734 5.985 1.00 0.00 H new ATOM 0 HB2 TYR A 18 6.669 2.559 6.740 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.919 2.649 6.777 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.995 2.259 4.202 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.412 0.446 5.943 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.821 0.449 2.596 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.236 -1.417 4.339 1.00 0.00 H new ATOM 0 HH TYR A 18 6.249 -2.143 2.452 1.00 0.00 H new ATOM 321 N ARG A 19 5.983 3.534 2.956 1.00 0.00 N ATOM 322 CA ARG A 19 6.659 3.371 1.676 1.00 0.00 C ATOM 323 C ARG A 19 6.868 4.735 1.046 1.00 0.00 C ATOM 324 O ARG A 19 7.827 4.964 0.310 1.00 0.00 O ATOM 325 CB ARG A 19 5.839 2.477 0.744 1.00 0.00 C ATOM 326 CG ARG A 19 6.601 2.025 -0.491 1.00 0.00 C ATOM 327 CD ARG A 19 5.899 0.871 -1.188 1.00 0.00 C ATOM 328 NE ARG A 19 6.846 -0.106 -1.720 1.00 0.00 N ATOM 329 CZ ARG A 19 7.625 -0.874 -0.961 1.00 0.00 C ATOM 330 NH1 ARG A 19 7.571 -0.781 0.363 1.00 0.00 N ATOM 331 NH2 ARG A 19 8.458 -1.735 -1.526 1.00 0.00 N ATOM 0 H ARG A 19 4.971 3.408 2.920 1.00 0.00 H new ATOM 0 HA ARG A 19 7.625 2.893 1.839 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.506 1.599 1.297 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.944 3.016 0.432 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.703 2.861 -1.183 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.609 1.721 -0.207 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.227 0.379 -0.486 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.284 1.258 -2.000 1.00 0.00 H new ATOM 0 HE ARG A 19 6.914 -0.206 -2.733 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.931 -0.119 0.802 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.170 -1.371 0.941 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.503 -1.810 -2.542 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.055 -2.323 -0.945 1.00 0.00 H new ATOM 345 N THR A 20 5.961 5.644 1.369 1.00 0.00 N ATOM 346 CA THR A 20 6.023 7.008 0.879 1.00 0.00 C ATOM 347 C THR A 20 7.304 7.678 1.364 1.00 0.00 C ATOM 348 O THR A 20 7.908 8.480 0.653 1.00 0.00 O ATOM 349 CB THR A 20 4.810 7.774 1.393 1.00 0.00 C ATOM 350 OG1 THR A 20 5.037 9.172 1.376 1.00 0.00 O ATOM 351 CG2 THR A 20 4.451 7.377 2.797 1.00 0.00 C ATOM 0 H THR A 20 5.164 5.455 1.977 1.00 0.00 H new ATOM 0 HA THR A 20 6.021 7.006 -0.211 1.00 0.00 H new ATOM 0 HB THR A 20 3.988 7.522 0.723 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.241 9.637 1.710 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.581 7.946 3.125 1.00 0.00 H new ATOM 0 HG22 THR A 20 4.220 6.312 2.826 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.291 7.584 3.460 1.00 0.00 H new ATOM 359 N LYS A 21 7.712 7.338 2.587 1.00 0.00 N ATOM 360 CA LYS A 21 8.920 7.904 3.174 1.00 0.00 C ATOM 361 C LYS A 21 10.168 7.350 2.493 1.00 0.00 C ATOM 362 O LYS A 21 11.183 8.038 2.383 1.00 0.00 O ATOM 363 CB LYS A 21 8.969 7.611 4.675 1.00 0.00 C ATOM 364 CG LYS A 21 8.518 8.778 5.538 1.00 0.00 C ATOM 365 CD LYS A 21 7.031 8.702 5.845 1.00 0.00 C ATOM 366 CE LYS A 21 6.776 8.087 7.211 1.00 0.00 C ATOM 367 NZ LYS A 21 7.584 6.854 7.425 1.00 0.00 N ATOM 0 H LYS A 21 7.222 6.674 3.187 1.00 0.00 H new ATOM 0 HA LYS A 21 8.896 8.983 3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.339 6.747 4.889 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.988 7.339 4.950 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.083 8.782 6.470 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.738 9.716 5.027 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.599 9.702 5.809 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.530 8.110 5.079 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.013 8.815 7.987 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.717 7.849 7.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.217 6.337 8.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.523 6.248 6.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.577 7.114 7.593 1.00 0.00 H new ATOM 381 N ARG A 22 10.087 6.103 2.038 1.00 0.00 N ATOM 382 CA ARG A 22 11.215 5.463 1.369 1.00 0.00 C ATOM 383 C ARG A 22 11.161 5.674 -0.145 1.00 0.00 C ATOM 384 O ARG A 22 12.006 5.161 -0.878 1.00 0.00 O ATOM 385 CB ARG A 22 11.249 3.965 1.700 1.00 0.00 C ATOM 386 CG ARG A 22 10.275 3.126 0.886 1.00 0.00 C ATOM 387 CD ARG A 22 10.312 1.666 1.306 1.00 0.00 C ATOM 388 NE ARG A 22 10.141 1.505 2.748 1.00 0.00 N ATOM 389 CZ ARG A 22 10.367 0.367 3.399 1.00 0.00 C ATOM 390 NH1 ARG A 22 10.775 -0.713 2.742 1.00 0.00 N ATOM 391 NH2 ARG A 22 10.185 0.306 4.712 1.00 0.00 N ATOM 0 H ARG A 22 9.256 5.518 2.120 1.00 0.00 H new ATOM 0 HA ARG A 22 12.130 5.928 1.736 1.00 0.00 H new ATOM 0 HB2 ARG A 22 12.259 3.591 1.536 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.028 3.833 2.759 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.265 3.516 1.011 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.520 3.207 -0.173 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.526 1.119 0.785 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.262 1.226 1.003 1.00 0.00 H new ATOM 0 HE ARG A 22 9.830 2.313 3.287 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.917 -0.673 1.733 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.947 -1.583 3.247 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.872 1.132 5.222 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.358 -0.567 5.211 1.00 0.00 H new ATOM 405 N GLN A 23 10.167 6.431 -0.611 1.00 0.00 N ATOM 406 CA GLN A 23 10.019 6.702 -2.038 1.00 0.00 C ATOM 407 C GLN A 23 11.301 7.293 -2.619 1.00 0.00 C ATOM 408 O GLN A 23 11.603 7.108 -3.798 1.00 0.00 O ATOM 409 CB GLN A 23 8.850 7.660 -2.278 1.00 0.00 C ATOM 410 CG GLN A 23 8.088 7.379 -3.563 1.00 0.00 C ATOM 411 CD GLN A 23 7.564 5.959 -3.632 1.00 0.00 C ATOM 412 OE1 GLN A 23 7.715 5.278 -4.646 1.00 0.00 O ATOM 413 NE2 GLN A 23 6.943 5.504 -2.550 1.00 0.00 N ATOM 0 H GLN A 23 9.456 6.865 -0.022 1.00 0.00 H new ATOM 0 HA GLN A 23 9.816 5.756 -2.541 1.00 0.00 H new ATOM 0 HB2 GLN A 23 8.161 7.598 -1.436 1.00 0.00 H new ATOM 0 HB3 GLN A 23 9.228 8.682 -2.306 1.00 0.00 H new ATOM 0 HG2 GLN A 23 7.253 8.075 -3.645 1.00 0.00 H new ATOM 0 HG3 GLN A 23 8.741 7.563 -4.416 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.840 6.103 -1.731 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.569 4.555 -2.538 1.00 0.00 H new ATOM 422 N THR A 24 12.053 8.002 -1.780 1.00 0.00 N ATOM 423 CA THR A 24 13.306 8.620 -2.207 1.00 0.00 C ATOM 424 C THR A 24 13.080 9.556 -3.392 1.00 0.00 C ATOM 425 O THR A 24 13.807 9.505 -4.384 1.00 0.00 O ATOM 426 CB THR A 24 14.334 7.547 -2.575 1.00 0.00 C ATOM 427 OG1 THR A 24 14.086 7.038 -3.874 1.00 0.00 O ATOM 428 CG2 THR A 24 14.350 6.376 -1.617 1.00 0.00 C ATOM 0 H THR A 24 11.817 8.163 -0.801 1.00 0.00 H new ATOM 0 HA THR A 24 13.691 9.208 -1.374 1.00 0.00 H new ATOM 0 HB THR A 24 15.301 8.047 -2.525 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.146 7.183 -4.108 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.101 5.654 -1.938 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.591 6.729 -0.614 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.370 5.900 -1.608 1.00 0.00 H new ATOM 436 N SER A 25 12.068 10.410 -3.280 1.00 0.00 N ATOM 437 CA SER A 25 11.747 11.359 -4.341 1.00 0.00 C ATOM 438 C SER A 25 11.342 10.631 -5.619 1.00 0.00 C ATOM 439 O SER A 25 12.101 9.822 -6.151 1.00 0.00 O ATOM 440 CB SER A 25 12.941 12.274 -4.618 1.00 0.00 C ATOM 441 OG SER A 25 12.515 13.584 -4.948 1.00 0.00 O ATOM 0 H SER A 25 11.456 10.465 -2.466 1.00 0.00 H new ATOM 0 HA SER A 25 10.905 11.965 -4.007 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.587 12.309 -3.741 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.535 11.865 -5.435 1.00 0.00 H new ATOM 0 HG SER A 25 13.297 14.149 -5.119 1.00 0.00 H new ATOM 447 N GLY A 26 10.140 10.923 -6.105 1.00 0.00 N ATOM 448 CA GLY A 26 9.657 10.286 -7.315 1.00 0.00 C ATOM 449 C GLY A 26 9.797 11.175 -8.536 1.00 0.00 C ATOM 450 O GLY A 26 10.908 11.430 -9.003 1.00 0.00 O ATOM 0 H GLY A 26 9.493 11.589 -5.683 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.208 9.360 -7.479 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.609 10.015 -7.185 1.00 0.00 H new ATOM 454 N GLY A 27 8.668 11.645 -9.056 1.00 0.00 N ATOM 455 CA GLY A 27 8.689 12.503 -10.226 1.00 0.00 C ATOM 456 C GLY A 27 7.644 12.104 -11.252 1.00 0.00 C ATOM 457 O GLY A 27 6.714 12.866 -11.518 1.00 0.00 O ATOM 0 H GLY A 27 7.738 11.447 -8.687 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.519 13.535 -9.920 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.677 12.465 -10.684 1.00 0.00 H new ATOM 461 N PRO A 28 7.769 10.906 -11.846 1.00 0.00 N ATOM 462 CA PRO A 28 6.817 10.416 -12.849 1.00 0.00 C ATOM 463 C PRO A 28 5.395 10.335 -12.300 1.00 0.00 C ATOM 464 O PRO A 28 4.549 11.170 -12.620 1.00 0.00 O ATOM 465 CB PRO A 28 7.340 9.016 -13.200 1.00 0.00 C ATOM 466 CG PRO A 28 8.252 8.645 -12.079 1.00 0.00 C ATOM 467 CD PRO A 28 8.842 9.933 -11.587 1.00 0.00 C ATOM 0 HA PRO A 28 6.756 11.082 -13.709 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.522 8.302 -13.294 1.00 0.00 H new ATOM 0 HB3 PRO A 28 7.869 9.021 -14.153 1.00 0.00 H new ATOM 0 HG2 PRO A 28 7.707 8.136 -11.284 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.031 7.963 -12.419 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.095 9.883 -10.528 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.757 10.189 -12.122 1.00 0.00 H new ATOM 475 N VAL A 29 5.138 9.330 -11.468 1.00 0.00 N ATOM 476 CA VAL A 29 3.821 9.149 -10.873 1.00 0.00 C ATOM 477 C VAL A 29 3.873 9.353 -9.362 1.00 0.00 C ATOM 478 O VAL A 29 2.944 9.896 -8.766 1.00 0.00 O ATOM 479 CB VAL A 29 3.249 7.748 -11.178 1.00 0.00 C ATOM 480 CG1 VAL A 29 4.016 6.667 -10.429 1.00 0.00 C ATOM 481 CG2 VAL A 29 1.768 7.693 -10.834 1.00 0.00 C ATOM 0 H VAL A 29 5.826 8.629 -11.191 1.00 0.00 H new ATOM 0 HA VAL A 29 3.166 9.899 -11.317 1.00 0.00 H new ATOM 0 HB VAL A 29 3.365 7.560 -12.245 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.591 5.691 -10.663 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.063 6.689 -10.731 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.944 6.846 -9.356 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.380 6.699 -11.055 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.632 7.908 -9.774 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.229 8.433 -11.426 1.00 0.00 H new ATOM 491 N ASP A 30 4.969 8.916 -8.751 1.00 0.00 N ATOM 492 CA ASP A 30 5.147 9.048 -7.310 1.00 0.00 C ATOM 493 C ASP A 30 5.081 10.508 -6.873 1.00 0.00 C ATOM 494 O ASP A 30 4.869 10.801 -5.697 1.00 0.00 O ATOM 495 CB ASP A 30 6.482 8.436 -6.881 1.00 0.00 C ATOM 496 CG ASP A 30 6.354 6.972 -6.509 1.00 0.00 C ATOM 497 OD1 ASP A 30 5.581 6.663 -5.578 1.00 0.00 O ATOM 498 OD2 ASP A 30 7.026 6.136 -7.148 1.00 0.00 O ATOM 0 H ASP A 30 5.748 8.467 -9.232 1.00 0.00 H new ATOM 0 HA ASP A 30 4.332 8.511 -6.824 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.203 8.540 -7.691 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.876 8.991 -6.030 1.00 0.00 H new ATOM 503 N ALA A 31 5.260 11.424 -7.824 1.00 0.00 N ATOM 504 CA ALA A 31 5.215 12.852 -7.531 1.00 0.00 C ATOM 505 C ALA A 31 4.025 13.193 -6.640 1.00 0.00 C ATOM 506 O ALA A 31 4.173 13.373 -5.431 1.00 0.00 O ATOM 507 CB ALA A 31 5.163 13.650 -8.827 1.00 0.00 C ATOM 0 H ALA A 31 5.437 11.201 -8.803 1.00 0.00 H new ATOM 0 HA ALA A 31 6.122 13.120 -6.989 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.130 14.715 -8.597 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.050 13.435 -9.423 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.272 13.372 -9.390 1.00 0.00 H new ATOM 513 N GLY A 32 2.846 13.262 -7.242 1.00 0.00 N ATOM 514 CA GLY A 32 1.650 13.562 -6.477 1.00 0.00 C ATOM 515 C GLY A 32 0.444 14.009 -7.299 1.00 0.00 C ATOM 516 O GLY A 32 -0.356 14.803 -6.804 1.00 0.00 O ATOM 0 H GLY A 32 2.695 13.117 -8.240 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.372 12.676 -5.907 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.887 14.344 -5.755 1.00 0.00 H new ATOM 520 N PRO A 33 0.245 13.526 -8.548 1.00 0.00 N ATOM 521 CA PRO A 33 -0.912 13.922 -9.348 1.00 0.00 C ATOM 522 C PRO A 33 -2.124 13.070 -9.038 1.00 0.00 C ATOM 523 O PRO A 33 -2.723 12.464 -9.927 1.00 0.00 O ATOM 524 CB PRO A 33 -0.429 13.671 -10.768 1.00 0.00 C ATOM 525 CG PRO A 33 0.420 12.454 -10.632 1.00 0.00 C ATOM 526 CD PRO A 33 1.095 12.565 -9.285 1.00 0.00 C ATOM 0 HA PRO A 33 -1.229 14.948 -9.162 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.261 13.506 -11.453 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.139 14.517 -11.155 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.184 11.548 -10.692 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.156 12.400 -11.434 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.141 11.601 -8.779 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.119 12.925 -9.378 1.00 0.00 H new ATOM 534 N GLU A 34 -2.458 13.001 -7.760 1.00 0.00 N ATOM 535 CA GLU A 34 -3.573 12.193 -7.308 1.00 0.00 C ATOM 536 C GLU A 34 -3.383 10.756 -7.770 1.00 0.00 C ATOM 537 O GLU A 34 -4.319 9.956 -7.787 1.00 0.00 O ATOM 538 CB GLU A 34 -4.903 12.755 -7.816 1.00 0.00 C ATOM 539 CG GLU A 34 -6.021 12.691 -6.789 1.00 0.00 C ATOM 540 CD GLU A 34 -6.132 13.960 -5.968 1.00 0.00 C ATOM 541 OE1 GLU A 34 -6.674 14.958 -6.487 1.00 0.00 O ATOM 542 OE2 GLU A 34 -5.673 13.957 -4.805 1.00 0.00 O ATOM 0 H GLU A 34 -1.969 13.498 -7.016 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.602 12.216 -6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.758 13.792 -8.119 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.206 12.202 -8.705 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.967 12.508 -7.298 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.849 11.846 -6.123 1.00 0.00 H new ATOM 549 N TYR A 35 -2.137 10.439 -8.106 1.00 0.00 N ATOM 550 CA TYR A 35 -1.755 9.108 -8.528 1.00 0.00 C ATOM 551 C TYR A 35 -1.926 8.139 -7.368 1.00 0.00 C ATOM 552 O TYR A 35 -1.706 6.946 -7.519 1.00 0.00 O ATOM 553 CB TYR A 35 -0.287 9.108 -8.924 1.00 0.00 C ATOM 554 CG TYR A 35 0.588 9.097 -7.700 1.00 0.00 C ATOM 555 CD1 TYR A 35 0.655 10.209 -6.876 1.00 0.00 C ATOM 556 CD2 TYR A 35 1.278 7.958 -7.326 1.00 0.00 C ATOM 557 CE1 TYR A 35 1.390 10.193 -5.719 1.00 0.00 C ATOM 558 CE2 TYR A 35 2.027 7.931 -6.171 1.00 0.00 C ATOM 559 CZ TYR A 35 2.080 9.053 -5.366 1.00 0.00 C ATOM 560 OH TYR A 35 2.821 9.032 -4.206 1.00 0.00 O ATOM 0 H TYR A 35 -1.365 11.105 -8.091 1.00 0.00 H new ATOM 0 HA TYR A 35 -2.380 8.809 -9.370 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -0.071 8.236 -9.541 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -0.067 9.988 -9.528 1.00 0.00 H new ATOM 0 HD1 TYR A 35 0.118 11.105 -7.150 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.229 7.077 -7.949 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.428 11.068 -5.088 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.570 7.039 -5.896 1.00 0.00 H new ATOM 0 HH TYR A 35 3.640 9.555 -4.332 1.00 0.00 H new ATOM 570 N GLN A 36 -2.280 8.679 -6.199 1.00 0.00 N ATOM 571 CA GLN A 36 -2.453 7.874 -4.986 1.00 0.00 C ATOM 572 C GLN A 36 -3.091 6.524 -5.297 1.00 0.00 C ATOM 573 O GLN A 36 -2.852 5.534 -4.606 1.00 0.00 O ATOM 574 CB GLN A 36 -3.311 8.631 -3.969 1.00 0.00 C ATOM 575 CG GLN A 36 -2.533 9.658 -3.162 1.00 0.00 C ATOM 576 CD GLN A 36 -2.543 11.031 -3.805 1.00 0.00 C ATOM 577 OE1 GLN A 36 -3.598 11.643 -3.975 1.00 0.00 O ATOM 578 NE2 GLN A 36 -1.365 11.524 -4.167 1.00 0.00 N ATOM 0 H GLN A 36 -2.453 9.675 -6.066 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.464 7.692 -4.565 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.124 9.133 -4.494 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.767 7.914 -3.286 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.958 9.726 -2.161 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.503 9.321 -3.048 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.515 10.983 -4.008 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.310 12.444 -4.605 1.00 0.00 H new ATOM 587 N GLN A 37 -3.900 6.497 -6.347 1.00 0.00 N ATOM 588 CA GLN A 37 -4.575 5.272 -6.763 1.00 0.00 C ATOM 589 C GLN A 37 -3.599 4.278 -7.398 1.00 0.00 C ATOM 590 O GLN A 37 -3.906 3.092 -7.516 1.00 0.00 O ATOM 591 CB GLN A 37 -5.704 5.595 -7.745 1.00 0.00 C ATOM 592 CG GLN A 37 -6.896 4.659 -7.630 1.00 0.00 C ATOM 593 CD GLN A 37 -6.916 3.605 -8.718 1.00 0.00 C ATOM 594 OE1 GLN A 37 -5.929 3.408 -9.427 1.00 0.00 O ATOM 595 NE2 GLN A 37 -8.046 2.919 -8.857 1.00 0.00 N ATOM 0 H GLN A 37 -4.106 7.310 -6.928 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.995 4.808 -5.871 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.039 6.619 -7.577 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.314 5.550 -8.762 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.877 4.170 -6.656 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.816 5.241 -7.676 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.840 3.115 -8.247 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.119 2.196 -9.573 1.00 0.00 H new ATOM 604 N ASP A 38 -2.421 4.759 -7.791 1.00 0.00 N ATOM 605 CA ASP A 38 -1.411 3.899 -8.394 1.00 0.00 C ATOM 606 C ASP A 38 -0.525 3.315 -7.307 1.00 0.00 C ATOM 607 O ASP A 38 -0.101 2.162 -7.381 1.00 0.00 O ATOM 608 CB ASP A 38 -0.568 4.686 -9.398 1.00 0.00 C ATOM 609 CG ASP A 38 -0.148 3.844 -10.587 1.00 0.00 C ATOM 610 OD1 ASP A 38 0.830 3.077 -10.456 1.00 0.00 O ATOM 611 OD2 ASP A 38 -0.797 3.950 -11.648 1.00 0.00 O ATOM 0 H ASP A 38 -2.145 5.737 -7.702 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.908 3.088 -8.926 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.136 5.547 -9.749 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.320 5.072 -8.898 1.00 0.00 H new ATOM 616 N LEU A 39 -0.266 4.121 -6.285 1.00 0.00 N ATOM 617 CA LEU A 39 0.549 3.697 -5.158 1.00 0.00 C ATOM 618 C LEU A 39 -0.148 2.570 -4.408 1.00 0.00 C ATOM 619 O LEU A 39 0.500 1.694 -3.837 1.00 0.00 O ATOM 620 CB LEU A 39 0.799 4.875 -4.216 1.00 0.00 C ATOM 621 CG LEU A 39 2.218 4.968 -3.655 1.00 0.00 C ATOM 622 CD1 LEU A 39 2.627 6.423 -3.478 1.00 0.00 C ATOM 623 CD2 LEU A 39 2.318 4.217 -2.336 1.00 0.00 C ATOM 0 H LEU A 39 -0.612 5.078 -6.215 1.00 0.00 H new ATOM 0 HA LEU A 39 1.507 3.336 -5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.574 5.799 -4.748 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.099 4.809 -3.383 1.00 0.00 H new ATOM 0 HG LEU A 39 2.903 4.505 -4.366 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.640 6.470 -3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.594 6.930 -4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.941 6.912 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.335 4.293 -1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.623 4.651 -1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.068 3.168 -2.495 1.00 0.00 H new ATOM 635 N ASP A 40 -1.478 2.603 -4.423 1.00 0.00 N ATOM 636 CA ASP A 40 -2.274 1.583 -3.749 1.00 0.00 C ATOM 637 C ASP A 40 -2.071 0.223 -4.408 1.00 0.00 C ATOM 638 O ASP A 40 -2.114 -0.813 -3.745 1.00 0.00 O ATOM 639 CB ASP A 40 -3.756 1.962 -3.775 1.00 0.00 C ATOM 640 CG ASP A 40 -4.067 3.142 -2.876 1.00 0.00 C ATOM 641 OD1 ASP A 40 -3.168 3.984 -2.669 1.00 0.00 O ATOM 642 OD2 ASP A 40 -5.210 3.225 -2.379 1.00 0.00 O ATOM 0 H ASP A 40 -2.026 3.324 -4.894 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.944 1.520 -2.712 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.049 2.201 -4.797 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.353 1.105 -3.464 1.00 0.00 H new ATOM 647 N ARG A 41 -1.846 0.239 -5.717 1.00 0.00 N ATOM 648 CA ARG A 41 -1.631 -0.990 -6.472 1.00 0.00 C ATOM 649 C ARG A 41 -0.379 -1.709 -5.976 1.00 0.00 C ATOM 650 O ARG A 41 -0.411 -2.906 -5.693 1.00 0.00 O ATOM 651 CB ARG A 41 -1.512 -0.672 -7.967 1.00 0.00 C ATOM 652 CG ARG A 41 -0.926 -1.803 -8.799 1.00 0.00 C ATOM 653 CD ARG A 41 0.491 -1.485 -9.251 1.00 0.00 C ATOM 654 NE ARG A 41 0.764 -1.993 -10.594 1.00 0.00 N ATOM 655 CZ ARG A 41 1.969 -1.979 -11.159 1.00 0.00 C ATOM 656 NH1 ARG A 41 3.012 -1.484 -10.504 1.00 0.00 N ATOM 657 NH2 ARG A 41 2.132 -2.461 -12.384 1.00 0.00 N ATOM 0 H ARG A 41 -1.808 1.090 -6.278 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.486 -1.650 -6.321 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.500 -0.425 -8.355 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.890 0.215 -8.090 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.925 -2.723 -8.215 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.556 -1.979 -9.671 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.644 -0.406 -9.234 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.202 -1.919 -8.548 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.013 -2.380 -11.129 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.893 -1.111 -9.562 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.933 -1.476 -10.943 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.334 -2.842 -12.892 1.00 0.00 H new ATOM 0 HH22 ARG A 41 3.055 -2.451 -12.818 1.00 0.00 H new ATOM 671 N GLU A 42 0.720 -0.970 -5.869 1.00 0.00 N ATOM 672 CA GLU A 42 1.979 -1.540 -5.402 1.00 0.00 C ATOM 673 C GLU A 42 1.824 -2.104 -3.994 1.00 0.00 C ATOM 674 O GLU A 42 2.472 -3.085 -3.632 1.00 0.00 O ATOM 675 CB GLU A 42 3.083 -0.481 -5.423 1.00 0.00 C ATOM 676 CG GLU A 42 4.437 -1.006 -4.973 1.00 0.00 C ATOM 677 CD GLU A 42 5.494 0.080 -4.920 1.00 0.00 C ATOM 678 OE1 GLU A 42 5.208 1.161 -4.363 1.00 0.00 O ATOM 679 OE2 GLU A 42 6.608 -0.150 -5.436 1.00 0.00 O ATOM 0 H GLU A 42 0.765 0.023 -6.099 1.00 0.00 H new ATOM 0 HA GLU A 42 2.256 -2.352 -6.074 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.174 -0.083 -6.434 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.792 0.349 -4.779 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.337 -1.460 -3.987 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.763 -1.792 -5.654 1.00 0.00 H new ATOM 686 N LEU A 43 0.955 -1.478 -3.207 1.00 0.00 N ATOM 687 CA LEU A 43 0.709 -1.919 -1.840 1.00 0.00 C ATOM 688 C LEU A 43 0.104 -3.316 -1.828 1.00 0.00 C ATOM 689 O LEU A 43 0.523 -4.178 -1.058 1.00 0.00 O ATOM 690 CB LEU A 43 -0.226 -0.939 -1.125 1.00 0.00 C ATOM 691 CG LEU A 43 0.378 0.434 -0.812 1.00 0.00 C ATOM 692 CD1 LEU A 43 -0.507 1.193 0.163 1.00 0.00 C ATOM 693 CD2 LEU A 43 1.787 0.291 -0.253 1.00 0.00 C ATOM 0 H LEU A 43 0.410 -0.664 -3.493 1.00 0.00 H new ATOM 0 HA LEU A 43 1.663 -1.947 -1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.114 -0.795 -1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.556 -1.394 -0.191 1.00 0.00 H new ATOM 0 HG LEU A 43 0.437 1.001 -1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.064 2.166 0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.495 1.332 -0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.597 0.626 1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.195 1.279 -0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.756 -0.296 0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.419 -0.212 -0.985 1.00 0.00 H new ATOM 705 N PHE A 44 -0.882 -3.539 -2.692 1.00 0.00 N ATOM 706 CA PHE A 44 -1.534 -4.840 -2.780 1.00 0.00 C ATOM 707 C PHE A 44 -0.502 -5.940 -3.029 1.00 0.00 C ATOM 708 O PHE A 44 -0.724 -7.103 -2.692 1.00 0.00 O ATOM 709 CB PHE A 44 -2.602 -4.822 -3.888 1.00 0.00 C ATOM 710 CG PHE A 44 -2.429 -5.881 -4.945 1.00 0.00 C ATOM 711 CD1 PHE A 44 -2.701 -7.210 -4.662 1.00 0.00 C ATOM 712 CD2 PHE A 44 -1.997 -5.545 -6.217 1.00 0.00 C ATOM 713 CE1 PHE A 44 -2.544 -8.185 -5.629 1.00 0.00 C ATOM 714 CE2 PHE A 44 -1.837 -6.515 -7.188 1.00 0.00 C ATOM 715 CZ PHE A 44 -2.111 -7.837 -6.894 1.00 0.00 C ATOM 0 H PHE A 44 -1.245 -2.838 -3.338 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.028 -5.053 -1.832 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.584 -4.942 -3.430 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.592 -3.843 -4.368 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.040 -7.487 -3.675 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -1.783 -4.513 -6.453 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.759 -9.217 -5.396 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -1.498 -6.240 -8.176 1.00 0.00 H new ATOM 0 HZ PHE A 44 -1.987 -8.597 -7.652 1.00 0.00 H new ATOM 725 N LYS A 45 0.630 -5.558 -3.615 1.00 0.00 N ATOM 726 CA LYS A 45 1.698 -6.507 -3.900 1.00 0.00 C ATOM 727 C LYS A 45 2.257 -7.095 -2.608 1.00 0.00 C ATOM 728 O LYS A 45 2.686 -8.248 -2.577 1.00 0.00 O ATOM 729 CB LYS A 45 2.814 -5.827 -4.696 1.00 0.00 C ATOM 730 CG LYS A 45 3.245 -6.608 -5.927 1.00 0.00 C ATOM 731 CD LYS A 45 2.650 -6.021 -7.197 1.00 0.00 C ATOM 732 CE LYS A 45 3.376 -4.753 -7.618 1.00 0.00 C ATOM 733 NZ LYS A 45 4.521 -5.044 -8.524 1.00 0.00 N ATOM 0 H LYS A 45 0.829 -4.599 -3.901 1.00 0.00 H new ATOM 0 HA LYS A 45 1.283 -7.319 -4.497 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.478 -4.837 -5.003 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.677 -5.684 -4.046 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.333 -6.605 -5.999 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.935 -7.648 -5.826 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.705 -6.757 -8.000 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.594 -5.801 -7.038 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.677 -4.084 -8.120 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.737 -4.230 -6.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.990 -4.154 -8.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.201 -5.662 -8.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.173 -5.520 -9.381 1.00 0.00 H new ATOM 747 N LEU A 46 2.243 -6.297 -1.541 1.00 0.00 N ATOM 748 CA LEU A 46 2.743 -6.741 -0.248 1.00 0.00 C ATOM 749 C LEU A 46 1.988 -7.979 0.215 1.00 0.00 C ATOM 750 O LEU A 46 2.589 -9.006 0.532 1.00 0.00 O ATOM 751 CB LEU A 46 2.604 -5.625 0.792 1.00 0.00 C ATOM 752 CG LEU A 46 3.825 -4.713 0.936 1.00 0.00 C ATOM 753 CD1 LEU A 46 3.613 -3.715 2.067 1.00 0.00 C ATOM 754 CD2 LEU A 46 5.085 -5.536 1.171 1.00 0.00 C ATOM 0 H LEU A 46 1.890 -5.340 -1.550 1.00 0.00 H new ATOM 0 HA LEU A 46 3.798 -6.991 -0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.741 -5.012 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.392 -6.077 1.761 1.00 0.00 H new ATOM 0 HG LEU A 46 3.952 -4.157 0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.490 -3.074 2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.737 -3.103 1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.460 -4.253 3.003 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.942 -4.869 1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.972 -6.121 2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.244 -6.207 0.327 1.00 0.00 H new ATOM 766 N LYS A 47 0.663 -7.876 0.246 1.00 0.00 N ATOM 767 CA LYS A 47 -0.181 -8.991 0.663 1.00 0.00 C ATOM 768 C LYS A 47 0.187 -10.268 -0.089 1.00 0.00 C ATOM 769 O LYS A 47 0.016 -11.375 0.424 1.00 0.00 O ATOM 770 CB LYS A 47 -1.657 -8.654 0.431 1.00 0.00 C ATOM 771 CG LYS A 47 -2.499 -8.693 1.696 1.00 0.00 C ATOM 772 CD LYS A 47 -2.407 -7.385 2.464 1.00 0.00 C ATOM 773 CE LYS A 47 -3.186 -6.277 1.774 1.00 0.00 C ATOM 774 NZ LYS A 47 -4.656 -6.431 1.961 1.00 0.00 N ATOM 0 H LYS A 47 0.151 -7.033 -0.012 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.016 -9.160 1.727 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.728 -7.661 -0.012 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.071 -9.356 -0.292 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.539 -8.892 1.437 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.166 -9.514 2.331 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.792 -7.527 3.474 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.362 -7.091 2.560 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.869 -5.311 2.168 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.953 -6.279 0.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.156 -5.961 1.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.901 -7.442 1.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.938 -5.998 2.864 1.00 0.00 H new ATOM 788 N GLN A 48 0.693 -10.106 -1.309 1.00 0.00 N ATOM 789 CA GLN A 48 1.085 -11.244 -2.132 1.00 0.00 C ATOM 790 C GLN A 48 2.446 -11.782 -1.706 1.00 0.00 C ATOM 791 O GLN A 48 2.671 -12.992 -1.698 1.00 0.00 O ATOM 792 CB GLN A 48 1.120 -10.845 -3.608 1.00 0.00 C ATOM 793 CG GLN A 48 -0.249 -10.519 -4.183 1.00 0.00 C ATOM 794 CD GLN A 48 -0.283 -10.608 -5.696 1.00 0.00 C ATOM 795 OE1 GLN A 48 -0.713 -11.613 -6.262 1.00 0.00 O ATOM 796 NE2 GLN A 48 0.176 -9.554 -6.361 1.00 0.00 N ATOM 0 H GLN A 48 0.841 -9.197 -1.748 1.00 0.00 H new ATOM 0 HA GLN A 48 0.345 -12.032 -1.993 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.770 -9.978 -3.726 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.563 -11.657 -4.185 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.987 -11.205 -3.766 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.538 -9.514 -3.875 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.523 -8.741 -5.852 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.181 -9.557 -7.381 1.00 0.00 H new ATOM 805 N MET A 49 3.351 -10.877 -1.346 1.00 0.00 N ATOM 806 CA MET A 49 4.689 -11.268 -0.913 1.00 0.00 C ATOM 807 C MET A 49 4.656 -11.793 0.518 1.00 0.00 C ATOM 808 O MET A 49 5.496 -12.598 0.915 1.00 0.00 O ATOM 809 CB MET A 49 5.671 -10.090 -1.007 1.00 0.00 C ATOM 810 CG MET A 49 5.261 -9.013 -2.000 1.00 0.00 C ATOM 811 SD MET A 49 6.661 -8.050 -2.601 1.00 0.00 S ATOM 812 CE MET A 49 6.021 -6.385 -2.435 1.00 0.00 C ATOM 0 H MET A 49 3.183 -9.871 -1.345 1.00 0.00 H new ATOM 0 HA MET A 49 5.032 -12.060 -1.579 1.00 0.00 H new ATOM 0 HB2 MET A 49 5.774 -9.638 -0.020 1.00 0.00 H new ATOM 0 HB3 MET A 49 6.653 -10.472 -1.287 1.00 0.00 H new ATOM 0 HG2 MET A 49 4.756 -9.478 -2.846 1.00 0.00 H new ATOM 0 HG3 MET A 49 4.541 -8.344 -1.528 1.00 0.00 H new ATOM 0 HE1 MET A 49 6.218 -5.827 -3.350 1.00 0.00 H new ATOM 0 HE2 MET A 49 4.946 -6.424 -2.258 1.00 0.00 H new ATOM 0 HE3 MET A 49 6.509 -5.890 -1.595 1.00 0.00 H new ATOM 822 N TYR A 50 3.678 -11.326 1.289 1.00 0.00 N ATOM 823 CA TYR A 50 3.533 -11.743 2.676 1.00 0.00 C ATOM 824 C TYR A 50 2.846 -13.100 2.770 1.00 0.00 C ATOM 825 O TYR A 50 3.142 -13.895 3.664 1.00 0.00 O ATOM 826 CB TYR A 50 2.740 -10.696 3.458 1.00 0.00 C ATOM 827 CG TYR A 50 3.563 -9.489 3.844 1.00 0.00 C ATOM 828 CD1 TYR A 50 4.611 -9.605 4.748 1.00 0.00 C ATOM 829 CD2 TYR A 50 3.297 -8.236 3.304 1.00 0.00 C ATOM 830 CE1 TYR A 50 5.369 -8.509 5.106 1.00 0.00 C ATOM 831 CE2 TYR A 50 4.051 -7.134 3.656 1.00 0.00 C ATOM 832 CZ TYR A 50 5.086 -7.275 4.557 1.00 0.00 C ATOM 833 OH TYR A 50 5.840 -6.180 4.910 1.00 0.00 O ATOM 0 H TYR A 50 2.974 -10.658 0.974 1.00 0.00 H new ATOM 0 HA TYR A 50 4.528 -11.836 3.110 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.890 -10.371 2.858 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.336 -11.155 4.360 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.837 -10.570 5.178 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.488 -8.123 2.598 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.179 -8.616 5.812 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.832 -6.167 3.228 1.00 0.00 H new ATOM 0 HH TYR A 50 5.511 -5.389 4.434 1.00 0.00 H new ATOM 843 N GLY A 51 1.931 -13.363 1.844 1.00 0.00 N ATOM 844 CA GLY A 51 1.224 -14.630 1.844 1.00 0.00 C ATOM 845 C GLY A 51 2.031 -15.739 1.200 1.00 0.00 C ATOM 846 O GLY A 51 1.848 -16.914 1.519 1.00 0.00 O ATOM 0 H GLY A 51 1.667 -12.723 1.095 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.982 -14.908 2.870 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.279 -14.516 1.313 1.00 0.00 H new ATOM 850 N LYS A 52 2.927 -15.365 0.293 1.00 0.00 N ATOM 851 CA LYS A 52 3.767 -16.336 -0.396 1.00 0.00 C ATOM 852 C LYS A 52 5.100 -16.514 0.327 1.00 0.00 C ATOM 853 O LYS A 52 5.747 -17.554 0.206 1.00 0.00 O ATOM 854 CB LYS A 52 4.013 -15.896 -1.841 1.00 0.00 C ATOM 855 CG LYS A 52 4.211 -17.054 -2.804 1.00 0.00 C ATOM 856 CD LYS A 52 5.685 -17.380 -2.988 1.00 0.00 C ATOM 857 CE LYS A 52 5.942 -18.072 -4.316 1.00 0.00 C ATOM 858 NZ LYS A 52 7.335 -17.857 -4.795 1.00 0.00 N ATOM 0 H LYS A 52 3.090 -14.396 0.018 1.00 0.00 H new ATOM 0 HA LYS A 52 3.245 -17.293 -0.398 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.168 -15.295 -2.178 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.894 -15.254 -1.872 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.687 -17.933 -2.430 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.769 -16.806 -3.769 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.271 -16.462 -2.936 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.022 -18.020 -2.172 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.756 -19.141 -4.210 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.240 -17.698 -5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.469 -18.345 -5.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.506 -16.839 -4.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.005 -18.236 -4.096 1.00 0.00 H new ATOM 872 N ALA A 53 5.506 -15.493 1.078 1.00 0.00 N ATOM 873 CA ALA A 53 6.762 -15.542 1.814 1.00 0.00 C ATOM 874 C ALA A 53 6.776 -16.711 2.800 1.00 0.00 C ATOM 875 O ALA A 53 7.197 -17.814 2.454 1.00 0.00 O ATOM 876 CB ALA A 53 7.005 -14.223 2.534 1.00 0.00 C ATOM 0 H ALA A 53 4.983 -14.625 1.191 1.00 0.00 H new ATOM 0 HA ALA A 53 7.570 -15.700 1.100 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.947 -14.275 3.080 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.052 -13.414 1.805 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.190 -14.035 3.233 1.00 0.00 H new ATOM 882 N ASP A 54 6.313 -16.468 4.027 1.00 0.00 N ATOM 883 CA ASP A 54 6.280 -17.515 5.048 1.00 0.00 C ATOM 884 C ASP A 54 5.674 -17.013 6.360 1.00 0.00 C ATOM 885 O ASP A 54 5.905 -17.602 7.416 1.00 0.00 O ATOM 886 CB ASP A 54 7.693 -18.042 5.307 1.00 0.00 C ATOM 887 CG ASP A 54 7.698 -19.277 6.186 1.00 0.00 C ATOM 888 OD1 ASP A 54 6.631 -19.913 6.323 1.00 0.00 O ATOM 889 OD2 ASP A 54 8.768 -19.611 6.737 1.00 0.00 O ATOM 0 H ASP A 54 5.958 -15.563 4.336 1.00 0.00 H new ATOM 0 HA ASP A 54 5.648 -18.319 4.670 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.171 -18.275 4.355 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.288 -17.261 5.780 1.00 0.00 H new ATOM 894 N MET A 55 4.902 -15.926 6.295 1.00 0.00 N ATOM 895 CA MET A 55 4.270 -15.355 7.486 1.00 0.00 C ATOM 896 C MET A 55 5.235 -15.322 8.669 1.00 0.00 C ATOM 897 O MET A 55 4.820 -15.420 9.824 1.00 0.00 O ATOM 898 CB MET A 55 3.017 -16.151 7.855 1.00 0.00 C ATOM 899 CG MET A 55 3.307 -17.583 8.275 1.00 0.00 C ATOM 900 SD MET A 55 1.870 -18.399 8.997 1.00 0.00 S ATOM 901 CE MET A 55 2.390 -18.554 10.703 1.00 0.00 C ATOM 0 H MET A 55 4.700 -15.424 5.431 1.00 0.00 H new ATOM 0 HA MET A 55 3.988 -14.329 7.252 1.00 0.00 H new ATOM 0 HB2 MET A 55 2.499 -15.641 8.667 1.00 0.00 H new ATOM 0 HB3 MET A 55 2.339 -16.162 7.001 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.645 -18.151 7.408 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.124 -17.588 8.997 1.00 0.00 H new ATOM 0 HE1 MET A 55 1.604 -19.042 11.280 1.00 0.00 H new ATOM 0 HE2 MET A 55 3.301 -19.151 10.753 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.582 -17.564 11.116 1.00 0.00 H new ATOM 911 N ASN A 56 6.522 -15.184 8.372 1.00 0.00 N ATOM 912 CA ASN A 56 7.547 -15.136 9.407 1.00 0.00 C ATOM 913 C ASN A 56 8.368 -13.857 9.299 1.00 0.00 C ATOM 914 O ASN A 56 9.503 -13.794 9.773 1.00 0.00 O ATOM 915 CB ASN A 56 8.470 -16.351 9.298 1.00 0.00 C ATOM 916 CG ASN A 56 7.725 -17.660 9.469 1.00 0.00 C ATOM 917 OD1 ASN A 56 6.562 -17.679 9.872 1.00 0.00 O ATOM 918 ND2 ASN A 56 8.394 -18.766 9.162 1.00 0.00 N ATOM 0 H ASN A 56 6.881 -15.103 7.421 1.00 0.00 H new ATOM 0 HA ASN A 56 7.048 -15.150 10.376 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.965 -16.342 8.327 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.251 -16.279 10.055 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.945 -19.677 9.257 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.357 -18.704 8.831 1.00 0.00 H new ATOM 925 N THR A 57 7.791 -12.839 8.668 1.00 0.00 N ATOM 926 CA THR A 57 8.473 -11.568 8.495 1.00 0.00 C ATOM 927 C THR A 57 7.468 -10.434 8.335 1.00 0.00 C ATOM 928 O THR A 57 7.536 -9.661 7.381 1.00 0.00 O ATOM 929 CB THR A 57 9.394 -11.629 7.276 1.00 0.00 C ATOM 930 OG1 THR A 57 10.283 -12.728 7.373 1.00 0.00 O ATOM 931 CG2 THR A 57 10.227 -10.381 7.093 1.00 0.00 C ATOM 0 H THR A 57 6.853 -12.873 8.269 1.00 0.00 H new ATOM 0 HA THR A 57 9.072 -11.374 9.385 1.00 0.00 H new ATOM 0 HB THR A 57 8.730 -11.733 6.418 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.863 -12.751 6.583 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.858 -10.491 6.211 1.00 0.00 H new ATOM 0 HG22 THR A 57 9.570 -9.521 6.965 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.855 -10.231 7.971 1.00 0.00 H new ATOM 939 N PHE A 58 6.532 -10.347 9.276 1.00 0.00 N ATOM 940 CA PHE A 58 5.504 -9.312 9.245 1.00 0.00 C ATOM 941 C PHE A 58 5.922 -8.096 10.072 1.00 0.00 C ATOM 942 O PHE A 58 5.865 -8.124 11.302 1.00 0.00 O ATOM 943 CB PHE A 58 4.180 -9.870 9.776 1.00 0.00 C ATOM 944 CG PHE A 58 3.360 -10.586 8.736 1.00 0.00 C ATOM 945 CD1 PHE A 58 3.951 -11.086 7.584 1.00 0.00 C ATOM 946 CD2 PHE A 58 1.997 -10.760 8.913 1.00 0.00 C ATOM 947 CE1 PHE A 58 3.198 -11.743 6.633 1.00 0.00 C ATOM 948 CE2 PHE A 58 1.239 -11.417 7.963 1.00 0.00 C ATOM 949 CZ PHE A 58 1.839 -11.910 6.821 1.00 0.00 C ATOM 0 H PHE A 58 6.465 -10.983 10.071 1.00 0.00 H new ATOM 0 HA PHE A 58 5.375 -8.995 8.210 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.389 -10.557 10.596 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.591 -9.051 10.189 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.012 -10.959 7.430 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.521 -10.378 9.804 1.00 0.00 H new ATOM 0 HE1 PHE A 58 3.671 -12.127 5.741 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.177 -11.545 8.113 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.248 -12.424 6.077 1.00 0.00 H new ATOM 959 N PRO A 59 6.347 -7.004 9.408 1.00 0.00 N ATOM 960 CA PRO A 59 6.770 -5.782 10.070 1.00 0.00 C ATOM 961 C PRO A 59 5.628 -4.780 10.196 1.00 0.00 C ATOM 962 O PRO A 59 5.174 -4.472 11.298 1.00 0.00 O ATOM 963 CB PRO A 59 7.853 -5.249 9.128 1.00 0.00 C ATOM 964 CG PRO A 59 7.584 -5.873 7.785 1.00 0.00 C ATOM 965 CD PRO A 59 6.451 -6.860 7.956 1.00 0.00 C ATOM 0 HA PRO A 59 7.114 -5.952 11.090 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.815 -4.161 9.067 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.847 -5.513 9.488 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.319 -5.109 7.054 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.476 -6.376 7.411 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.524 -6.487 7.521 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.670 -7.812 7.472 1.00 0.00 H new ATOM 973 N ASN A 60 5.162 -4.282 9.055 1.00 0.00 N ATOM 974 CA ASN A 60 4.065 -3.324 9.026 1.00 0.00 C ATOM 975 C ASN A 60 2.745 -4.034 8.745 1.00 0.00 C ATOM 976 O ASN A 60 1.681 -3.581 9.169 1.00 0.00 O ATOM 977 CB ASN A 60 4.321 -2.254 7.962 1.00 0.00 C ATOM 978 CG ASN A 60 5.682 -1.603 8.114 1.00 0.00 C ATOM 979 OD1 ASN A 60 6.441 -1.492 7.151 1.00 0.00 O ATOM 980 ND2 ASN A 60 5.997 -1.167 9.327 1.00 0.00 N ATOM 0 H ASN A 60 5.529 -4.528 8.136 1.00 0.00 H new ATOM 0 HA ASN A 60 4.003 -2.842 10.002 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.245 -2.704 6.972 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.546 -1.490 8.025 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.899 -0.719 9.490 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.337 -1.280 10.097 1.00 0.00 H new ATOM 987 N PHE A 61 2.825 -5.155 8.031 1.00 0.00 N ATOM 988 CA PHE A 61 1.641 -5.939 7.694 1.00 0.00 C ATOM 989 C PHE A 61 0.870 -6.326 8.953 1.00 0.00 C ATOM 990 O PHE A 61 -0.337 -6.563 8.906 1.00 0.00 O ATOM 991 CB PHE A 61 2.047 -7.196 6.921 1.00 0.00 C ATOM 992 CG PHE A 61 0.881 -8.008 6.433 1.00 0.00 C ATOM 993 CD1 PHE A 61 0.098 -8.726 7.322 1.00 0.00 C ATOM 994 CD2 PHE A 61 0.571 -8.056 5.083 1.00 0.00 C ATOM 995 CE1 PHE A 61 -0.973 -9.477 6.874 1.00 0.00 C ATOM 996 CE2 PHE A 61 -0.498 -8.805 4.630 1.00 0.00 C ATOM 997 CZ PHE A 61 -1.272 -9.516 5.527 1.00 0.00 C ATOM 0 H PHE A 61 3.700 -5.540 7.675 1.00 0.00 H new ATOM 0 HA PHE A 61 0.991 -5.328 7.068 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.658 -6.905 6.067 1.00 0.00 H new ATOM 0 HB3 PHE A 61 2.670 -7.820 7.561 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.327 -8.699 8.377 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.172 -7.502 4.377 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.575 -10.033 7.578 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.729 -8.835 3.575 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.109 -10.101 5.175 1.00 0.00 H new ATOM 1007 N THR A 62 1.577 -6.390 10.076 1.00 0.00 N ATOM 1008 CA THR A 62 0.964 -6.748 11.348 1.00 0.00 C ATOM 1009 C THR A 62 0.130 -5.597 11.900 1.00 0.00 C ATOM 1010 O THR A 62 -1.037 -5.781 12.234 1.00 0.00 O ATOM 1011 CB THR A 62 2.043 -7.163 12.354 1.00 0.00 C ATOM 1012 OG1 THR A 62 1.457 -7.734 13.509 1.00 0.00 O ATOM 1013 CG2 THR A 62 2.925 -6.020 12.805 1.00 0.00 C ATOM 0 H THR A 62 2.577 -6.198 10.130 1.00 0.00 H new ATOM 0 HA THR A 62 0.295 -7.592 11.180 1.00 0.00 H new ATOM 0 HB THR A 62 2.663 -7.885 11.823 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.078 -7.024 14.068 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.664 -6.389 13.516 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.434 -5.591 11.942 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.313 -5.255 13.283 1.00 0.00 H new ATOM 1021 N PHE A 63 0.731 -4.411 12.000 1.00 0.00 N ATOM 1022 CA PHE A 63 0.033 -3.239 12.527 1.00 0.00 C ATOM 1023 C PHE A 63 -0.764 -3.612 13.775 1.00 0.00 C ATOM 1024 O PHE A 63 -1.930 -3.243 13.915 1.00 0.00 O ATOM 1025 CB PHE A 63 -0.888 -2.625 11.463 1.00 0.00 C ATOM 1026 CG PHE A 63 -1.954 -3.556 10.956 1.00 0.00 C ATOM 1027 CD1 PHE A 63 -1.700 -4.410 9.895 1.00 0.00 C ATOM 1028 CD2 PHE A 63 -3.214 -3.573 11.537 1.00 0.00 C ATOM 1029 CE1 PHE A 63 -2.679 -5.264 9.423 1.00 0.00 C ATOM 1030 CE2 PHE A 63 -4.196 -4.424 11.068 1.00 0.00 C ATOM 1031 CZ PHE A 63 -3.929 -5.271 10.011 1.00 0.00 C ATOM 0 H PHE A 63 1.697 -4.237 11.724 1.00 0.00 H new ATOM 0 HA PHE A 63 0.778 -2.492 12.800 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -1.365 -1.738 11.880 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.281 -2.294 10.621 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.725 -4.408 9.431 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.429 -2.914 12.365 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -2.467 -5.925 8.596 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.173 -4.427 11.528 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.696 -5.938 9.645 1.00 0.00 H new ATOM 1041 N GLU A 64 -0.112 -4.365 14.666 1.00 0.00 N ATOM 1042 CA GLU A 64 -0.718 -4.837 15.918 1.00 0.00 C ATOM 1043 C GLU A 64 -1.325 -6.228 15.736 1.00 0.00 C ATOM 1044 O GLU A 64 -1.487 -6.971 16.704 1.00 0.00 O ATOM 1045 CB GLU A 64 -1.783 -3.864 16.439 1.00 0.00 C ATOM 1046 CG GLU A 64 -1.331 -2.411 16.450 1.00 0.00 C ATOM 1047 CD GLU A 64 -1.072 -1.889 17.849 1.00 0.00 C ATOM 1048 OE1 GLU A 64 -1.707 -2.393 18.798 1.00 0.00 O ATOM 1049 OE2 GLU A 64 -0.234 -0.975 17.995 1.00 0.00 O ATOM 0 H GLU A 64 0.854 -4.666 14.540 1.00 0.00 H new ATOM 0 HA GLU A 64 0.079 -4.891 16.660 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.677 -3.953 15.821 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.065 -4.155 17.451 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.422 -2.313 15.856 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.092 -1.794 15.972 1.00 0.00 H new ATOM 1056 N ASP A 65 -1.647 -6.579 14.491 1.00 0.00 N ATOM 1057 CA ASP A 65 -2.224 -7.882 14.177 1.00 0.00 C ATOM 1058 C ASP A 65 -3.427 -8.186 15.074 1.00 0.00 C ATOM 1059 O ASP A 65 -3.764 -7.398 15.955 1.00 0.00 O ATOM 1060 CB ASP A 65 -1.161 -8.971 14.322 1.00 0.00 C ATOM 1061 CG ASP A 65 -0.864 -9.671 13.008 1.00 0.00 C ATOM 1062 OD1 ASP A 65 -1.737 -9.653 12.115 1.00 0.00 O ATOM 1063 OD2 ASP A 65 0.241 -10.238 12.875 1.00 0.00 O ATOM 0 H ASP A 65 -1.516 -5.974 13.681 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.575 -7.861 13.145 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.243 -8.529 14.710 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.496 -9.706 15.054 1.00 0.00 H new ATOM 1068 N PRO A 66 -4.099 -9.334 14.857 1.00 0.00 N ATOM 1069 CA PRO A 66 -5.268 -9.729 15.646 1.00 0.00 C ATOM 1070 C PRO A 66 -4.895 -10.422 16.954 1.00 0.00 C ATOM 1071 O PRO A 66 -5.761 -10.949 17.653 1.00 0.00 O ATOM 1072 CB PRO A 66 -5.970 -10.706 14.713 1.00 0.00 C ATOM 1073 CG PRO A 66 -4.851 -11.384 14.007 1.00 0.00 C ATOM 1074 CD PRO A 66 -3.779 -10.339 13.822 1.00 0.00 C ATOM 0 HA PRO A 66 -5.870 -8.873 15.951 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -6.584 -11.417 15.266 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -6.630 -10.190 14.015 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.477 -12.227 14.588 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.179 -11.780 13.046 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -2.782 -10.757 13.962 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -3.806 -9.908 12.821 1.00 0.00 H new ATOM 1082 N LYS A 67 -3.606 -10.421 17.283 1.00 0.00 N ATOM 1083 CA LYS A 67 -3.130 -11.052 18.509 1.00 0.00 C ATOM 1084 C LYS A 67 -3.831 -10.474 19.737 1.00 0.00 C ATOM 1085 O LYS A 67 -3.833 -11.087 20.805 1.00 0.00 O ATOM 1086 CB LYS A 67 -1.617 -10.873 18.643 1.00 0.00 C ATOM 1087 CG LYS A 67 -1.156 -9.435 18.469 1.00 0.00 C ATOM 1088 CD LYS A 67 0.070 -9.137 19.317 1.00 0.00 C ATOM 1089 CE LYS A 67 1.330 -9.724 18.702 1.00 0.00 C ATOM 1090 NZ LYS A 67 2.532 -9.467 19.543 1.00 0.00 N ATOM 0 H LYS A 67 -2.874 -9.991 16.718 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.364 -12.115 18.451 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.303 -11.230 19.624 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.119 -11.498 17.902 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.928 -9.249 17.419 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.964 -8.757 18.744 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.185 -8.059 19.425 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.071 -9.544 20.318 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.203 -10.798 18.570 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.483 -9.297 17.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.369 -9.883 19.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.669 -8.441 19.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.398 -9.896 20.481 1.00 0.00 H new ATOM 1104 N PHE A 68 -4.424 -9.293 19.581 1.00 0.00 N ATOM 1105 CA PHE A 68 -5.126 -8.642 20.683 1.00 0.00 C ATOM 1106 C PHE A 68 -6.359 -9.440 21.091 1.00 0.00 C ATOM 1107 O PHE A 68 -6.698 -9.516 22.272 1.00 0.00 O ATOM 1108 CB PHE A 68 -5.529 -7.218 20.294 1.00 0.00 C ATOM 1109 CG PHE A 68 -6.240 -7.130 18.974 1.00 0.00 C ATOM 1110 CD1 PHE A 68 -7.570 -7.506 18.860 1.00 0.00 C ATOM 1111 CD2 PHE A 68 -5.578 -6.670 17.847 1.00 0.00 C ATOM 1112 CE1 PHE A 68 -8.224 -7.423 17.646 1.00 0.00 C ATOM 1113 CE2 PHE A 68 -6.228 -6.586 16.631 1.00 0.00 C ATOM 1114 CZ PHE A 68 -7.553 -6.963 16.529 1.00 0.00 C ATOM 0 H PHE A 68 -4.432 -8.769 18.706 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.447 -8.597 21.534 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.173 -6.807 21.071 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.636 -6.594 20.258 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.100 -7.867 19.729 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.542 -6.374 17.920 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.260 -7.718 17.570 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.700 -6.226 15.760 1.00 0.00 H new ATOM 0 HZ PHE A 68 -8.063 -6.898 15.579 1.00 0.00 H new ATOM 1124 N GLU A 69 -7.025 -10.037 20.108 1.00 0.00 N ATOM 1125 CA GLU A 69 -8.223 -10.833 20.363 1.00 0.00 C ATOM 1126 C GLU A 69 -9.387 -9.947 20.797 1.00 0.00 C ATOM 1127 O GLU A 69 -10.385 -9.825 20.086 1.00 0.00 O ATOM 1128 CB GLU A 69 -7.946 -11.892 21.434 1.00 0.00 C ATOM 1129 CG GLU A 69 -8.752 -13.167 21.250 1.00 0.00 C ATOM 1130 CD GLU A 69 -8.991 -13.899 22.556 1.00 0.00 C ATOM 1131 OE1 GLU A 69 -8.122 -13.817 23.450 1.00 0.00 O ATOM 1132 OE2 GLU A 69 -10.048 -14.551 22.686 1.00 0.00 O ATOM 0 H GLU A 69 -6.756 -9.985 19.126 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.497 -11.332 19.433 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.884 -12.138 21.424 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.166 -11.471 22.415 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.711 -12.923 20.793 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.228 -13.827 20.558 1.00 0.00 H new ATOM 1139 N VAL A 70 -9.255 -9.330 21.968 1.00 0.00 N ATOM 1140 CA VAL A 70 -10.299 -8.458 22.492 1.00 0.00 C ATOM 1141 C VAL A 70 -9.737 -7.457 23.498 1.00 0.00 C ATOM 1142 O VAL A 70 -10.414 -7.080 24.455 1.00 0.00 O ATOM 1143 CB VAL A 70 -11.421 -9.270 23.167 1.00 0.00 C ATOM 1144 CG1 VAL A 70 -12.197 -10.071 22.132 1.00 0.00 C ATOM 1145 CG2 VAL A 70 -10.847 -10.183 24.239 1.00 0.00 C ATOM 0 H VAL A 70 -8.437 -9.418 22.570 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.710 -7.916 21.640 1.00 0.00 H new ATOM 0 HB VAL A 70 -12.111 -8.575 23.646 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -12.985 -10.638 22.627 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -12.641 -9.392 21.404 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -11.521 -10.758 21.622 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.654 -10.749 24.705 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.135 -10.873 23.786 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.341 -9.583 24.995 1.00 0.00 H new ATOM 1155 N VAL A 71 -8.499 -7.027 23.274 1.00 0.00 N ATOM 1156 CA VAL A 71 -7.854 -6.067 24.164 1.00 0.00 C ATOM 1157 C VAL A 71 -7.708 -4.706 23.489 1.00 0.00 C ATOM 1158 O VAL A 71 -7.700 -3.670 24.154 1.00 0.00 O ATOM 1159 CB VAL A 71 -6.466 -6.560 24.621 1.00 0.00 C ATOM 1160 CG1 VAL A 71 -5.524 -6.702 23.435 1.00 0.00 C ATOM 1161 CG2 VAL A 71 -5.883 -5.621 25.665 1.00 0.00 C ATOM 0 H VAL A 71 -7.924 -7.327 22.487 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.495 -5.968 25.040 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.586 -7.544 25.075 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.552 -7.051 23.782 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -5.936 -7.421 22.727 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.409 -5.736 22.944 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.904 -5.985 25.975 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.781 -4.623 25.240 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.546 -5.581 26.529 1.00 0.00 H new ATOM 1171 N GLU A 72 -7.592 -4.717 22.163 1.00 0.00 N ATOM 1172 CA GLU A 72 -7.447 -3.486 21.394 1.00 0.00 C ATOM 1173 C GLU A 72 -6.156 -2.759 21.762 1.00 0.00 C ATOM 1174 O GLU A 72 -5.153 -2.862 21.056 1.00 0.00 O ATOM 1175 CB GLU A 72 -8.651 -2.568 21.624 1.00 0.00 C ATOM 1176 CG GLU A 72 -9.778 -2.783 20.628 1.00 0.00 C ATOM 1177 CD GLU A 72 -10.469 -1.490 20.242 1.00 0.00 C ATOM 1178 OE1 GLU A 72 -10.725 -0.663 21.142 1.00 0.00 O ATOM 1179 OE2 GLU A 72 -10.755 -1.305 19.040 1.00 0.00 O ATOM 0 H GLU A 72 -7.596 -5.567 21.599 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.401 -3.752 20.338 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.033 -2.729 22.632 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.322 -1.530 21.569 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.380 -3.260 19.732 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.510 -3.468 21.055 1.00 0.00 H new ATOM 1186 N LYS A 73 -6.186 -2.025 22.871 1.00 0.00 N ATOM 1187 CA LYS A 73 -5.016 -1.282 23.328 1.00 0.00 C ATOM 1188 C LYS A 73 -5.287 -0.619 24.677 1.00 0.00 C ATOM 1189 O LYS A 73 -6.440 -0.414 25.057 1.00 0.00 O ATOM 1190 CB LYS A 73 -4.621 -0.225 22.296 1.00 0.00 C ATOM 1191 CG LYS A 73 -3.525 -0.682 21.345 1.00 0.00 C ATOM 1192 CD LYS A 73 -3.957 -0.565 19.891 1.00 0.00 C ATOM 1193 CE LYS A 73 -3.315 0.635 19.213 1.00 0.00 C ATOM 1194 NZ LYS A 73 -3.930 0.918 17.887 1.00 0.00 N ATOM 0 H LYS A 73 -7.007 -1.929 23.469 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.192 -1.986 23.448 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.502 0.052 21.716 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.288 0.673 22.817 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.629 -0.083 21.508 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.261 -1.717 21.564 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.686 -1.475 19.356 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.042 -0.476 19.839 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.415 1.511 19.854 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.248 0.453 19.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.465 1.743 17.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.812 0.092 17.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.943 1.117 18.010 1.00 0.00 H new ATOM 1208 N PRO A 74 -4.222 -0.273 25.421 1.00 0.00 N ATOM 1209 CA PRO A 74 -4.351 0.372 26.732 1.00 0.00 C ATOM 1210 C PRO A 74 -5.206 1.632 26.675 1.00 0.00 C ATOM 1211 O PRO A 74 -4.693 2.734 26.477 1.00 0.00 O ATOM 1212 CB PRO A 74 -2.907 0.722 27.103 1.00 0.00 C ATOM 1213 CG PRO A 74 -2.070 -0.233 26.325 1.00 0.00 C ATOM 1214 CD PRO A 74 -2.813 -0.481 25.042 1.00 0.00 C ATOM 0 HA PRO A 74 -4.845 -0.275 27.456 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.672 1.755 26.845 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.737 0.615 28.174 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.082 0.183 26.130 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.922 -1.162 26.876 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.502 0.208 24.257 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.642 -1.490 24.667 1.00 0.00 H new ATOM 1222 N GLN A 75 -6.513 1.464 26.847 1.00 0.00 N ATOM 1223 CA GLN A 75 -7.439 2.589 26.814 1.00 0.00 C ATOM 1224 C GLN A 75 -8.694 2.286 27.627 1.00 0.00 C ATOM 1225 O GLN A 75 -9.699 1.827 27.087 1.00 0.00 O ATOM 1226 CB GLN A 75 -7.821 2.921 25.370 1.00 0.00 C ATOM 1227 CG GLN A 75 -6.892 3.929 24.712 1.00 0.00 C ATOM 1228 CD GLN A 75 -7.511 4.578 23.490 1.00 0.00 C ATOM 1229 OE1 GLN A 75 -8.010 5.702 23.555 1.00 0.00 O ATOM 1230 NE2 GLN A 75 -7.481 3.872 22.365 1.00 0.00 N ATOM 0 H GLN A 75 -6.954 0.559 27.011 1.00 0.00 H new ATOM 0 HA GLN A 75 -6.940 3.450 27.258 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.822 2.003 24.783 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.838 3.312 25.353 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -6.628 4.701 25.435 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -5.966 3.431 24.425 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -7.057 2.944 22.356 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -7.882 4.258 21.510 1.00 0.00 H new ATOM 1239 N SER A 76 -8.626 2.547 28.929 1.00 0.00 N ATOM 1240 CA SER A 76 -9.757 2.302 29.817 1.00 0.00 C ATOM 1241 C SER A 76 -9.551 2.991 31.162 1.00 0.00 C ATOM 1242 O SER A 76 -8.413 2.957 31.675 1.00 0.00 O ATOM 1243 CB SER A 76 -9.953 0.799 30.026 1.00 0.00 C ATOM 1244 OG SER A 76 -8.730 0.099 29.876 1.00 0.00 O ATOM 1245 OXT SER A 76 -10.529 3.559 31.691 1.00 0.00 O ATOM 0 H SER A 76 -7.801 2.928 29.392 1.00 0.00 H new ATOM 0 HA SER A 76 -10.650 2.716 29.349 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.360 0.617 31.021 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.682 0.421 29.309 1.00 0.00 H new ATOM 0 HG SER A 76 -8.882 -0.859 30.016 1.00 0.00 H new TER 1251 SER A 76