USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 917 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 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl -130:sc= 0 (180deg=-2.52!) USER MOD Single : A 15 CYS SG : rot -89:sc= 0.00515 USER MOD Single : A 16 CYS SG : rot 40:sc= 0.0935 USER MOD Single : A 19 LYS NZ :NH3+ -137:sc= 0.845 (180deg=0.147) USER MOD Single : A 22 ASN : amide:sc= -0.201 K(o=-0.2,f=-2.4!) USER MOD Single : A 24 TYR OH : rot 30:sc= -0.0253 USER MOD Single : A 27 HIS : no HD1:sc= -0.595 K(o=-0.6,f=-4.3!) USER MOD Single : A 29 HIS : no HE2:sc= -3.27! C(o=-3.3!,f=-3.3!) USER MOD Single : A 32 LYS NZ :NH3+ -165:sc= -0.0468 (180deg=-0.329) USER MOD Single : A 34 LYS NZ :NH3+ -119:sc= 0.0723 (180deg=-0.129) USER MOD Single : A 37 GLN : amide:sc= -0.636 X(o=-0.64,f=-0.3) USER MOD Single : A 38 TYR OH : rot 30:sc= -0.267 USER MOD Single : A 46 SER OG : rot -95:sc= 1 USER MOD Single : A 50 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0443) USER MOD Single : A 63 ASN : amide:sc= -0.816! C(o=-0.82!,f=-8.5!) USER MOD Single : A 66 ASN : amide:sc= 1.29 K(o=1.3,f=-2.5!) USER MOD Single : A 69 LYS NZ :NH3+ -167:sc= -0.0669 (180deg=-0.253) USER MOD Single : A 71 THR OG1 : rot 178:sc= -1.18! USER MOD Single : A 72 HIS : no HD1:sc= -0.0597 X(o=-0.06,f=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 74 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.28) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.0655 X(o=-0.066,f=-0.16) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.293 X(o=-0.29,f=-0.041) USER MOD Single : A 100 GLN : amide:sc= -0.0186 X(o=-0.019,f=-0.36) USER MOD Single : A 101 LYS NZ :NH3+ -175:sc= 1.01 (180deg=0.936) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 114 GLN : amide:sc=-0.00226 K(o=-0.0023,f=-0.81) USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 4 -16.265 -22.271 3.588 1.00 0.00 N ATOM 2 CA GLY A 4 -15.152 -21.789 4.442 1.00 0.00 C ATOM 3 C GLY A 4 -14.497 -20.547 3.869 1.00 0.00 C ATOM 4 O GLY A 4 -15.020 -19.940 2.935 1.00 0.00 O ATOM 0 HA2 GLY A 4 -15.529 -21.572 5.442 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.407 -22.577 4.546 1.00 0.00 H new ATOM 10 N ILE A 5 -13.362 -20.159 4.432 1.00 0.00 N ATOM 11 CA ILE A 5 -12.606 -19.018 3.929 1.00 0.00 C ATOM 12 C ILE A 5 -11.428 -19.513 3.098 1.00 0.00 C ATOM 13 O ILE A 5 -10.834 -20.546 3.412 1.00 0.00 O ATOM 14 CB ILE A 5 -12.078 -18.137 5.082 1.00 0.00 C ATOM 15 CG1 ILE A 5 -13.229 -17.687 5.981 1.00 0.00 C ATOM 16 CG2 ILE A 5 -11.334 -16.921 4.537 1.00 0.00 C ATOM 17 CD1 ILE A 5 -12.780 -16.864 7.167 1.00 0.00 C ATOM 0 H ILE A 5 -12.942 -20.618 5.240 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.276 -18.415 3.315 1.00 0.00 H new ATOM 0 HB ILE A 5 -11.382 -18.733 5.672 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.935 -17.103 5.390 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -13.764 -18.566 6.340 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -10.971 -16.315 5.367 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -10.489 -17.252 3.933 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -12.010 -16.327 3.922 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -13.648 -16.579 7.762 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -12.097 -17.452 7.780 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -12.271 -15.967 6.815 1.00 0.00 H new ATOM 29 N ASP A 6 -11.097 -18.795 2.038 1.00 0.00 N ATOM 30 CA ASP A 6 -9.965 -19.170 1.208 1.00 0.00 C ATOM 31 C ASP A 6 -8.711 -18.474 1.718 1.00 0.00 C ATOM 32 O ASP A 6 -8.733 -17.278 2.016 1.00 0.00 O ATOM 33 CB ASP A 6 -10.226 -18.809 -0.252 1.00 0.00 C ATOM 34 CG ASP A 6 -9.835 -19.930 -1.194 1.00 0.00 C ATOM 35 OD1 ASP A 6 -10.571 -20.939 -1.256 1.00 0.00 O ATOM 36 OD2 ASP A 6 -8.792 -19.815 -1.865 1.00 0.00 O ATOM 0 H ASP A 6 -11.591 -17.956 1.734 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.822 -20.249 1.265 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.283 -18.577 -0.384 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.667 -17.909 -0.508 1.00 0.00 H new ATOM 41 N PRO A 7 -7.605 -19.227 1.829 1.00 0.00 N ATOM 42 CA PRO A 7 -6.375 -18.769 2.494 1.00 0.00 C ATOM 43 C PRO A 7 -5.728 -17.567 1.816 1.00 0.00 C ATOM 44 O PRO A 7 -5.047 -16.777 2.467 1.00 0.00 O ATOM 45 CB PRO A 7 -5.446 -19.984 2.416 1.00 0.00 C ATOM 46 CG PRO A 7 -5.977 -20.802 1.294 1.00 0.00 C ATOM 47 CD PRO A 7 -7.463 -20.596 1.303 1.00 0.00 C ATOM 0 HA PRO A 7 -6.584 -18.431 3.509 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -4.415 -19.682 2.231 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.451 -20.545 3.350 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.545 -20.489 0.344 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -5.728 -21.855 1.426 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.890 -20.691 0.304 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.968 -21.326 1.936 1.00 0.00 H new ATOM 55 N PHE A 8 -5.929 -17.433 0.512 1.00 0.00 N ATOM 56 CA PHE A 8 -5.360 -16.316 -0.222 1.00 0.00 C ATOM 57 C PHE A 8 -6.151 -16.037 -1.482 1.00 0.00 C ATOM 58 O PHE A 8 -6.926 -16.873 -1.939 1.00 0.00 O ATOM 59 CB PHE A 8 -3.901 -16.581 -0.582 1.00 0.00 C ATOM 60 CG PHE A 8 -2.989 -15.475 -0.152 1.00 0.00 C ATOM 61 CD1 PHE A 8 -2.921 -14.294 -0.872 1.00 0.00 C ATOM 62 CD2 PHE A 8 -2.209 -15.612 0.980 1.00 0.00 C ATOM 63 CE1 PHE A 8 -2.092 -13.271 -0.468 1.00 0.00 C ATOM 64 CE2 PHE A 8 -1.376 -14.593 1.387 1.00 0.00 C ATOM 65 CZ PHE A 8 -1.318 -13.419 0.662 1.00 0.00 C ATOM 0 H PHE A 8 -6.478 -18.080 -0.054 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.408 -15.442 0.427 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.580 -17.513 -0.116 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.816 -16.718 -1.660 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.524 -14.174 -1.760 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.253 -16.527 1.552 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.049 -12.354 -1.036 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.769 -14.712 2.272 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.667 -12.618 0.980 1.00 0.00 H new ATOM 75 N THR A 9 -5.943 -14.852 -2.035 1.00 0.00 N ATOM 76 CA THR A 9 -6.645 -14.425 -3.227 1.00 0.00 C ATOM 77 C THR A 9 -6.077 -13.095 -3.723 1.00 0.00 C ATOM 78 O THR A 9 -5.904 -12.161 -2.939 1.00 0.00 O ATOM 79 CB THR A 9 -8.163 -14.304 -2.952 1.00 0.00 C ATOM 80 OG1 THR A 9 -8.847 -13.771 -4.090 1.00 0.00 O ATOM 81 CG2 THR A 9 -8.438 -13.443 -1.728 1.00 0.00 C ATOM 0 H THR A 9 -5.285 -14.164 -1.669 1.00 0.00 H new ATOM 0 HA THR A 9 -6.502 -15.175 -4.004 1.00 0.00 H new ATOM 0 HB THR A 9 -8.539 -15.308 -2.755 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.805 -13.705 -3.894 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.513 -13.378 -1.563 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.963 -13.890 -0.855 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.035 -12.443 -1.889 1.00 0.00 H new ATOM 89 N MET A 10 -5.725 -13.054 -5.011 1.00 0.00 N ATOM 90 CA MET A 10 -5.252 -11.837 -5.689 1.00 0.00 C ATOM 91 C MET A 10 -3.829 -11.458 -5.276 1.00 0.00 C ATOM 92 O MET A 10 -2.976 -11.267 -6.140 1.00 0.00 O ATOM 93 CB MET A 10 -6.195 -10.656 -5.433 1.00 0.00 C ATOM 94 CG MET A 10 -5.681 -9.349 -6.013 1.00 0.00 C ATOM 95 SD MET A 10 -6.694 -7.934 -5.557 1.00 0.00 S ATOM 96 CE MET A 10 -5.719 -6.606 -6.261 1.00 0.00 C ATOM 0 H MET A 10 -5.760 -13.871 -5.621 1.00 0.00 H new ATOM 0 HA MET A 10 -5.245 -12.064 -6.755 1.00 0.00 H new ATOM 0 HB2 MET A 10 -7.172 -10.878 -5.863 1.00 0.00 H new ATOM 0 HB3 MET A 10 -6.338 -10.539 -4.359 1.00 0.00 H new ATOM 0 HG2 MET A 10 -4.659 -9.183 -5.672 1.00 0.00 H new ATOM 0 HG3 MET A 10 -5.645 -9.429 -7.099 1.00 0.00 H new ATOM 0 HE1 MET A 10 -5.566 -5.830 -5.511 1.00 0.00 H new ATOM 0 HE2 MET A 10 -4.753 -6.995 -6.583 1.00 0.00 H new ATOM 0 HE3 MET A 10 -6.244 -6.184 -7.118 1.00 0.00 H new ATOM 106 N LEU A 11 -3.600 -11.381 -3.962 1.00 0.00 N ATOM 107 CA LEU A 11 -2.339 -10.918 -3.353 1.00 0.00 C ATOM 108 C LEU A 11 -1.922 -9.514 -3.821 1.00 0.00 C ATOM 109 O LEU A 11 -1.943 -9.182 -5.007 1.00 0.00 O ATOM 110 CB LEU A 11 -1.169 -11.926 -3.472 1.00 0.00 C ATOM 111 CG LEU A 11 -1.069 -12.777 -4.733 1.00 0.00 C ATOM 112 CD1 LEU A 11 0.387 -13.085 -5.038 1.00 0.00 C ATOM 113 CD2 LEU A 11 -1.856 -14.073 -4.561 1.00 0.00 C ATOM 0 H LEU A 11 -4.301 -11.645 -3.270 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.569 -10.849 -2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.238 -11.367 -3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.226 -12.602 -2.619 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.495 -12.219 -5.567 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.449 -13.693 -5.940 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.932 -12.153 -5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.826 -13.630 -4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.776 -14.671 -5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.451 -14.635 -3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.904 -13.840 -4.371 1.00 0.00 H new ATOM 125 N PRO A 12 -1.536 -8.666 -2.851 1.00 0.00 N ATOM 126 CA PRO A 12 -1.215 -7.253 -3.091 1.00 0.00 C ATOM 127 C PRO A 12 0.140 -7.049 -3.762 1.00 0.00 C ATOM 128 O PRO A 12 0.956 -7.968 -3.843 1.00 0.00 O ATOM 129 CB PRO A 12 -1.194 -6.664 -1.683 1.00 0.00 C ATOM 130 CG PRO A 12 -0.771 -7.796 -0.819 1.00 0.00 C ATOM 131 CD PRO A 12 -1.370 -9.031 -1.433 1.00 0.00 C ATOM 0 HA PRO A 12 -1.932 -6.789 -3.769 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.499 -5.828 -1.612 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.175 -6.288 -1.394 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.316 -7.869 -0.776 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.122 -7.659 0.204 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.716 -9.895 -1.315 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.323 -9.287 -0.970 1.00 0.00 H new ATOM 139 N ARG A 13 0.376 -5.829 -4.226 1.00 0.00 N ATOM 140 CA ARG A 13 1.620 -5.490 -4.903 1.00 0.00 C ATOM 141 C ARG A 13 2.376 -4.393 -4.171 1.00 0.00 C ATOM 142 O ARG A 13 1.778 -3.485 -3.592 1.00 0.00 O ATOM 143 CB ARG A 13 1.361 -5.018 -6.336 1.00 0.00 C ATOM 144 CG ARG A 13 1.151 -6.132 -7.342 1.00 0.00 C ATOM 145 CD ARG A 13 1.446 -5.638 -8.749 1.00 0.00 C ATOM 146 NE ARG A 13 2.807 -5.102 -8.847 1.00 0.00 N ATOM 147 CZ ARG A 13 3.273 -4.401 -9.883 1.00 0.00 C ATOM 148 NH1 ARG A 13 2.499 -4.147 -10.930 1.00 0.00 N ATOM 149 NH2 ARG A 13 4.520 -3.947 -9.872 1.00 0.00 N ATOM 0 H ARG A 13 -0.282 -5.054 -4.145 1.00 0.00 H new ATOM 0 HA ARG A 13 2.220 -6.400 -4.915 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.481 -4.374 -6.339 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.204 -4.408 -6.661 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.800 -6.974 -7.102 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.124 -6.494 -7.285 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.322 -6.456 -9.458 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.727 -4.866 -9.025 1.00 0.00 H new ATOM 0 HE ARG A 13 3.443 -5.277 -8.069 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.538 -4.488 -10.949 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.865 -3.610 -11.716 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.124 -4.134 -9.071 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.875 -3.412 -10.664 1.00 0.00 H new ATOM 163 N LEU A 14 3.695 -4.494 -4.197 1.00 0.00 N ATOM 164 CA LEU A 14 4.549 -3.398 -3.788 1.00 0.00 C ATOM 165 C LEU A 14 4.782 -2.504 -4.994 1.00 0.00 C ATOM 166 O LEU A 14 5.472 -2.887 -5.940 1.00 0.00 O ATOM 167 CB LEU A 14 5.882 -3.917 -3.242 1.00 0.00 C ATOM 168 CG LEU A 14 6.841 -2.841 -2.729 1.00 0.00 C ATOM 169 CD1 LEU A 14 6.242 -2.106 -1.539 1.00 0.00 C ATOM 170 CD2 LEU A 14 8.181 -3.454 -2.356 1.00 0.00 C ATOM 0 H LEU A 14 4.197 -5.329 -4.499 1.00 0.00 H new ATOM 0 HA LEU A 14 4.067 -2.835 -2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.676 -4.614 -2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.383 -4.482 -4.028 1.00 0.00 H new ATOM 0 HG LEU A 14 7.002 -2.119 -3.530 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.941 -1.346 -1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.308 -1.630 -1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.047 -2.815 -0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.850 -2.673 -1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.035 -4.199 -1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.620 -3.930 -3.233 1.00 0.00 H new ATOM 182 N CYS A 15 4.187 -1.330 -4.963 1.00 0.00 N ATOM 183 CA CYS A 15 4.209 -0.430 -6.099 1.00 0.00 C ATOM 184 C CYS A 15 5.352 0.565 -5.979 1.00 0.00 C ATOM 185 O CYS A 15 5.400 1.369 -5.049 1.00 0.00 O ATOM 186 CB CYS A 15 2.870 0.303 -6.196 1.00 0.00 C ATOM 187 SG CYS A 15 1.432 -0.798 -6.215 1.00 0.00 S ATOM 0 H CYS A 15 3.677 -0.973 -4.155 1.00 0.00 H new ATOM 0 HA CYS A 15 4.367 -1.012 -7.007 1.00 0.00 H new ATOM 0 HB2 CYS A 15 2.780 0.988 -5.353 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.863 0.909 -7.102 1.00 0.00 H new ATOM 0 HG CYS A 15 1.155 -1.129 -7.441 1.00 0.00 H new ATOM 193 N CYS A 16 6.283 0.490 -6.914 1.00 0.00 N ATOM 194 CA CYS A 16 7.415 1.395 -6.946 1.00 0.00 C ATOM 195 C CYS A 16 7.216 2.442 -8.039 1.00 0.00 C ATOM 196 O CYS A 16 7.205 2.121 -9.229 1.00 0.00 O ATOM 197 CB CYS A 16 8.714 0.611 -7.164 1.00 0.00 C ATOM 198 SG CYS A 16 8.635 -0.601 -8.506 1.00 0.00 S ATOM 0 H CYS A 16 6.275 -0.197 -7.668 1.00 0.00 H new ATOM 0 HA CYS A 16 7.488 1.910 -5.988 1.00 0.00 H new ATOM 0 HB2 CYS A 16 9.519 1.315 -7.373 1.00 0.00 H new ATOM 0 HB3 CYS A 16 8.973 0.096 -6.239 1.00 0.00 H new ATOM 0 HG CYS A 16 7.972 -0.099 -9.505 1.00 0.00 H new ATOM 204 N LEU A 17 7.031 3.686 -7.628 1.00 0.00 N ATOM 205 CA LEU A 17 6.772 4.770 -8.563 1.00 0.00 C ATOM 206 C LEU A 17 7.834 5.848 -8.449 1.00 0.00 C ATOM 207 O LEU A 17 8.444 6.024 -7.394 1.00 0.00 O ATOM 208 CB LEU A 17 5.380 5.380 -8.347 1.00 0.00 C ATOM 209 CG LEU A 17 5.004 5.734 -6.907 1.00 0.00 C ATOM 210 CD1 LEU A 17 3.899 6.762 -6.918 1.00 0.00 C ATOM 211 CD2 LEU A 17 4.540 4.504 -6.144 1.00 0.00 C ATOM 0 H LEU A 17 7.055 3.971 -6.649 1.00 0.00 H new ATOM 0 HA LEU A 17 6.806 4.346 -9.567 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.307 6.285 -8.951 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.638 4.680 -8.731 1.00 0.00 H new ATOM 0 HG LEU A 17 5.887 6.135 -6.409 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.629 7.017 -5.893 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.241 7.658 -7.436 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.029 6.355 -7.432 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.279 4.786 -5.124 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.666 4.078 -6.637 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.341 3.765 -6.123 1.00 0.00 H new ATOM 223 N GLU A 18 8.024 6.582 -9.535 1.00 0.00 N ATOM 224 CA GLU A 18 9.104 7.549 -9.636 1.00 0.00 C ATOM 225 C GLU A 18 8.603 8.944 -9.311 1.00 0.00 C ATOM 226 O GLU A 18 7.479 9.306 -9.655 1.00 0.00 O ATOM 227 CB GLU A 18 9.693 7.535 -11.047 1.00 0.00 C ATOM 228 CG GLU A 18 10.184 6.166 -11.490 1.00 0.00 C ATOM 229 CD GLU A 18 10.788 6.189 -12.878 1.00 0.00 C ATOM 230 OE1 GLU A 18 12.000 6.456 -12.998 1.00 0.00 O ATOM 231 OE2 GLU A 18 10.054 5.935 -13.857 1.00 0.00 O ATOM 0 H GLU A 18 7.436 6.524 -10.367 1.00 0.00 H new ATOM 0 HA GLU A 18 9.877 7.274 -8.918 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.937 7.885 -11.750 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.522 8.241 -11.092 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.927 5.802 -10.780 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.353 5.461 -11.470 1.00 0.00 H new ATOM 238 N LYS A 19 9.431 9.719 -8.636 1.00 0.00 N ATOM 239 CA LYS A 19 9.080 11.085 -8.297 1.00 0.00 C ATOM 240 C LYS A 19 9.157 11.982 -9.525 1.00 0.00 C ATOM 241 O LYS A 19 10.230 12.175 -10.100 1.00 0.00 O ATOM 242 CB LYS A 19 9.993 11.631 -7.198 1.00 0.00 C ATOM 243 CG LYS A 19 9.578 13.005 -6.689 1.00 0.00 C ATOM 244 CD LYS A 19 10.541 13.519 -5.633 1.00 0.00 C ATOM 245 CE LYS A 19 10.383 12.748 -4.337 1.00 0.00 C ATOM 246 NZ LYS A 19 11.433 13.097 -3.341 1.00 0.00 N ATOM 0 H LYS A 19 10.352 9.425 -8.311 1.00 0.00 H new ATOM 0 HA LYS A 19 8.055 11.080 -7.926 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.002 10.931 -6.363 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.013 11.686 -7.578 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.540 13.707 -7.522 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.573 12.952 -6.272 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.566 13.427 -5.993 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.360 14.579 -5.455 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.400 12.953 -3.912 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.424 11.679 -4.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.781 12.230 -2.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.222 13.575 -3.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.031 13.730 -2.620 1.00 0.00 H new ATOM 260 N GLY A 20 8.011 12.519 -9.920 1.00 0.00 N ATOM 261 CA GLY A 20 7.954 13.440 -11.034 1.00 0.00 C ATOM 262 C GLY A 20 8.215 14.867 -10.596 1.00 0.00 C ATOM 263 O GLY A 20 8.918 15.097 -9.613 1.00 0.00 O ATOM 0 H GLY A 20 7.110 12.329 -9.481 1.00 0.00 H new ATOM 0 HA2 GLY A 20 8.689 13.149 -11.784 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.974 13.378 -11.507 1.00 0.00 H new ATOM 267 N PRO A 21 7.647 15.854 -11.299 1.00 0.00 N ATOM 268 CA PRO A 21 7.862 17.271 -10.992 1.00 0.00 C ATOM 269 C PRO A 21 7.260 17.677 -9.650 1.00 0.00 C ATOM 270 O PRO A 21 7.766 18.571 -8.974 1.00 0.00 O ATOM 271 CB PRO A 21 7.145 17.996 -12.135 1.00 0.00 C ATOM 272 CG PRO A 21 6.131 17.024 -12.621 1.00 0.00 C ATOM 273 CD PRO A 21 6.753 15.669 -12.457 1.00 0.00 C ATOM 0 HA PRO A 21 8.922 17.510 -10.912 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.676 18.917 -11.788 1.00 0.00 H new ATOM 0 HB3 PRO A 21 7.841 18.272 -12.927 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.208 17.102 -12.047 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.876 17.214 -13.664 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.003 14.900 -12.270 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.303 15.367 -13.348 1.00 0.00 H new ATOM 281 N ASN A 22 6.196 16.996 -9.256 1.00 0.00 N ATOM 282 CA ASN A 22 5.444 17.379 -8.066 1.00 0.00 C ATOM 283 C ASN A 22 5.206 16.183 -7.151 1.00 0.00 C ATOM 284 O ASN A 22 4.108 15.993 -6.621 1.00 0.00 O ATOM 285 CB ASN A 22 4.106 18.027 -8.461 1.00 0.00 C ATOM 286 CG ASN A 22 3.285 17.182 -9.426 1.00 0.00 C ATOM 287 OD1 ASN A 22 3.364 15.952 -9.440 1.00 0.00 O ATOM 288 ND2 ASN A 22 2.487 17.838 -10.252 1.00 0.00 N ATOM 0 H ASN A 22 5.832 16.176 -9.740 1.00 0.00 H new ATOM 0 HA ASN A 22 6.039 18.108 -7.516 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.520 18.209 -7.560 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.302 18.998 -8.916 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.916 17.325 -10.924 1.00 0.00 H new ATOM 0 HD22 ASN A 22 2.443 18.856 -10.217 1.00 0.00 H new ATOM 295 N GLY A 23 6.241 15.381 -6.952 1.00 0.00 N ATOM 296 CA GLY A 23 6.104 14.210 -6.127 1.00 0.00 C ATOM 297 C GLY A 23 5.771 12.984 -6.938 1.00 0.00 C ATOM 298 O GLY A 23 6.608 12.489 -7.675 1.00 0.00 O ATOM 0 H GLY A 23 7.170 15.524 -7.348 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.031 14.042 -5.580 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.322 14.378 -5.386 1.00 0.00 H new ATOM 302 N TYR A 24 4.549 12.492 -6.830 1.00 0.00 N ATOM 303 CA TYR A 24 4.213 11.218 -7.451 1.00 0.00 C ATOM 304 C TYR A 24 2.870 11.250 -8.176 1.00 0.00 C ATOM 305 O TYR A 24 2.618 10.436 -9.064 1.00 0.00 O ATOM 306 CB TYR A 24 4.235 10.119 -6.391 1.00 0.00 C ATOM 307 CG TYR A 24 5.604 9.914 -5.779 1.00 0.00 C ATOM 308 CD1 TYR A 24 6.552 9.129 -6.417 1.00 0.00 C ATOM 309 CD2 TYR A 24 5.956 10.527 -4.581 1.00 0.00 C ATOM 310 CE1 TYR A 24 7.812 8.956 -5.882 1.00 0.00 C ATOM 311 CE2 TYR A 24 7.213 10.355 -4.036 1.00 0.00 C ATOM 312 CZ TYR A 24 8.140 9.572 -4.695 1.00 0.00 C ATOM 313 OH TYR A 24 9.399 9.411 -4.168 1.00 0.00 O ATOM 0 H TYR A 24 3.784 12.943 -6.328 1.00 0.00 H new ATOM 0 HA TYR A 24 4.963 11.010 -8.214 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.524 10.368 -5.603 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.900 9.183 -6.839 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.300 8.645 -7.349 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.235 11.147 -4.069 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.538 8.340 -6.392 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.469 10.830 -3.100 1.00 0.00 H new ATOM 0 HH TYR A 24 10.043 9.277 -4.894 1.00 0.00 H new ATOM 323 N GLY A 25 2.009 12.184 -7.801 1.00 0.00 N ATOM 324 CA GLY A 25 0.757 12.356 -8.513 1.00 0.00 C ATOM 325 C GLY A 25 -0.378 11.522 -7.946 1.00 0.00 C ATOM 326 O GLY A 25 -1.305 11.158 -8.666 1.00 0.00 O ATOM 0 H GLY A 25 2.152 12.824 -7.020 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.474 13.408 -8.486 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.904 12.092 -9.560 1.00 0.00 H new ATOM 330 N PHE A 26 -0.322 11.217 -6.663 1.00 0.00 N ATOM 331 CA PHE A 26 -1.419 10.513 -6.014 1.00 0.00 C ATOM 332 C PHE A 26 -1.906 11.326 -4.827 1.00 0.00 C ATOM 333 O PHE A 26 -1.122 11.978 -4.136 1.00 0.00 O ATOM 334 CB PHE A 26 -1.002 9.098 -5.577 1.00 0.00 C ATOM 335 CG PHE A 26 -0.038 9.059 -4.421 1.00 0.00 C ATOM 336 CD1 PHE A 26 1.323 9.210 -4.628 1.00 0.00 C ATOM 337 CD2 PHE A 26 -0.495 8.863 -3.125 1.00 0.00 C ATOM 338 CE1 PHE A 26 2.209 9.170 -3.567 1.00 0.00 C ATOM 339 CE2 PHE A 26 0.387 8.824 -2.061 1.00 0.00 C ATOM 340 CZ PHE A 26 1.741 8.977 -2.284 1.00 0.00 C ATOM 0 H PHE A 26 0.463 11.442 -6.052 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.232 10.399 -6.730 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.896 8.537 -5.307 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.550 8.587 -6.427 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.697 9.361 -5.630 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.553 8.739 -2.946 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.268 9.290 -3.743 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.018 8.674 -1.057 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.433 8.946 -1.455 1.00 0.00 H new ATOM 350 N HIS A 27 -3.205 11.304 -4.620 1.00 0.00 N ATOM 351 CA HIS A 27 -3.834 12.036 -3.541 1.00 0.00 C ATOM 352 C HIS A 27 -4.144 11.077 -2.413 1.00 0.00 C ATOM 353 O HIS A 27 -4.876 10.107 -2.598 1.00 0.00 O ATOM 354 CB HIS A 27 -5.121 12.723 -4.019 1.00 0.00 C ATOM 355 CG HIS A 27 -4.929 13.759 -5.089 1.00 0.00 C ATOM 356 ND1 HIS A 27 -5.627 14.945 -5.114 1.00 0.00 N ATOM 357 CD2 HIS A 27 -4.159 13.759 -6.203 1.00 0.00 C ATOM 358 CE1 HIS A 27 -5.293 15.628 -6.191 1.00 0.00 C ATOM 359 NE2 HIS A 27 -4.405 14.931 -6.874 1.00 0.00 N ATOM 0 H HIS A 27 -3.858 10.775 -5.198 1.00 0.00 H new ATOM 0 HA HIS A 27 -3.152 12.812 -3.193 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.805 11.960 -4.392 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.604 13.193 -3.162 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -3.476 12.980 -6.508 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.682 16.597 -6.468 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -3.974 15.215 -7.753 1.00 0.00 H new ATOM 368 N LEU A 28 -3.569 11.336 -1.259 1.00 0.00 N ATOM 369 CA LEU A 28 -3.725 10.464 -0.109 1.00 0.00 C ATOM 370 C LEU A 28 -4.728 11.070 0.865 1.00 0.00 C ATOM 371 O LEU A 28 -4.658 12.264 1.168 1.00 0.00 O ATOM 372 CB LEU A 28 -2.369 10.280 0.579 1.00 0.00 C ATOM 373 CG LEU A 28 -2.318 9.213 1.674 1.00 0.00 C ATOM 374 CD1 LEU A 28 -2.435 7.821 1.074 1.00 0.00 C ATOM 375 CD2 LEU A 28 -1.034 9.343 2.476 1.00 0.00 C ATOM 0 H LEU A 28 -2.982 12.153 -1.089 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.095 9.492 -0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.628 10.030 -0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.071 11.234 1.013 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.164 9.366 2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.396 7.077 1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.382 7.733 0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.611 7.653 0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.011 8.578 3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.177 9.215 1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.992 10.329 2.938 1.00 0.00 H new ATOM 387 N HIS A 29 -5.667 10.269 1.346 1.00 0.00 N ATOM 388 CA HIS A 29 -6.624 10.759 2.327 1.00 0.00 C ATOM 389 C HIS A 29 -6.587 9.900 3.581 1.00 0.00 C ATOM 390 O HIS A 29 -6.401 8.682 3.514 1.00 0.00 O ATOM 391 CB HIS A 29 -8.055 10.837 1.756 1.00 0.00 C ATOM 392 CG HIS A 29 -8.772 9.522 1.631 1.00 0.00 C ATOM 393 ND1 HIS A 29 -9.930 9.219 2.320 1.00 0.00 N ATOM 394 CD2 HIS A 29 -8.500 8.443 0.874 1.00 0.00 C ATOM 395 CE1 HIS A 29 -10.332 8.007 1.985 1.00 0.00 C ATOM 396 NE2 HIS A 29 -9.482 7.514 1.106 1.00 0.00 N ATOM 0 H HIS A 29 -5.787 9.292 1.079 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.330 11.776 2.589 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.647 11.495 2.393 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -8.010 11.302 0.771 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -10.401 9.835 2.983 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.660 8.329 0.205 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -11.209 7.504 2.366 1.00 0.00 H new ATOM 405 N GLY A 30 -6.760 10.551 4.712 1.00 0.00 N ATOM 406 CA GLY A 30 -6.744 9.868 5.980 1.00 0.00 C ATOM 407 C GLY A 30 -8.035 10.082 6.724 1.00 0.00 C ATOM 408 O GLY A 30 -8.197 11.085 7.421 1.00 0.00 O ATOM 0 H GLY A 30 -6.914 11.557 4.775 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.584 8.802 5.821 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.909 10.229 6.581 1.00 0.00 H new ATOM 412 N GLU A 31 -8.956 9.147 6.552 1.00 0.00 N ATOM 413 CA GLU A 31 -10.271 9.227 7.173 1.00 0.00 C ATOM 414 C GLU A 31 -10.165 9.372 8.683 1.00 0.00 C ATOM 415 O GLU A 31 -9.448 8.610 9.336 1.00 0.00 O ATOM 416 CB GLU A 31 -11.079 7.971 6.868 1.00 0.00 C ATOM 417 CG GLU A 31 -11.429 7.779 5.409 1.00 0.00 C ATOM 418 CD GLU A 31 -12.394 6.630 5.223 1.00 0.00 C ATOM 419 OE1 GLU A 31 -13.531 6.727 5.731 1.00 0.00 O ATOM 420 OE2 GLU A 31 -12.022 5.622 4.593 1.00 0.00 O ATOM 0 H GLU A 31 -8.815 8.314 5.981 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.767 10.106 6.762 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.516 7.102 7.209 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.002 8.000 7.447 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.870 8.695 5.015 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.521 7.590 4.837 1.00 0.00 H new ATOM 427 N LYS A 32 -10.878 10.346 9.233 1.00 0.00 N ATOM 428 CA LYS A 32 -10.972 10.485 10.675 1.00 0.00 C ATOM 429 C LYS A 32 -11.729 9.294 11.243 1.00 0.00 C ATOM 430 O LYS A 32 -12.883 9.049 10.884 1.00 0.00 O ATOM 431 CB LYS A 32 -11.676 11.786 11.061 1.00 0.00 C ATOM 432 CG LYS A 32 -11.647 12.050 12.555 1.00 0.00 C ATOM 433 CD LYS A 32 -12.436 13.290 12.925 1.00 0.00 C ATOM 434 CE LYS A 32 -12.391 13.544 14.423 1.00 0.00 C ATOM 435 NZ LYS A 32 -12.927 12.395 15.202 1.00 0.00 N ATOM 0 H LYS A 32 -11.396 11.047 8.703 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.964 10.516 11.089 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.202 12.618 10.540 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -12.712 11.747 10.724 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.055 11.189 13.084 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.614 12.165 12.883 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.032 14.153 12.395 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.471 13.175 12.604 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.362 13.739 14.726 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.967 14.440 14.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.116 12.696 16.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.810 12.062 14.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.230 11.623 15.206 1.00 0.00 H new ATOM 449 N GLY A 33 -11.063 8.541 12.099 1.00 0.00 N ATOM 450 CA GLY A 33 -11.645 7.336 12.641 1.00 0.00 C ATOM 451 C GLY A 33 -10.844 6.117 12.245 1.00 0.00 C ATOM 452 O GLY A 33 -10.690 5.179 13.030 1.00 0.00 O ATOM 0 H GLY A 33 -10.120 8.745 12.431 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.690 7.408 13.728 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.670 7.232 12.286 1.00 0.00 H new ATOM 456 N LYS A 34 -10.336 6.131 11.018 1.00 0.00 N ATOM 457 CA LYS A 34 -9.478 5.070 10.524 1.00 0.00 C ATOM 458 C LYS A 34 -8.072 5.227 11.087 1.00 0.00 C ATOM 459 O LYS A 34 -7.688 6.309 11.531 1.00 0.00 O ATOM 460 CB LYS A 34 -9.420 5.095 8.993 1.00 0.00 C ATOM 461 CG LYS A 34 -10.778 5.026 8.313 1.00 0.00 C ATOM 462 CD LYS A 34 -11.601 3.865 8.828 1.00 0.00 C ATOM 463 CE LYS A 34 -12.641 3.416 7.810 1.00 0.00 C ATOM 464 NZ LYS A 34 -13.629 4.484 7.493 1.00 0.00 N ATOM 0 H LYS A 34 -10.508 6.876 10.343 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.893 4.116 10.848 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.914 6.007 8.675 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.813 4.257 8.651 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.318 5.958 8.481 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.642 4.927 7.236 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.942 3.030 9.068 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.099 4.154 9.754 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.138 3.108 6.894 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.167 2.542 8.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.583 4.163 7.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.395 5.344 8.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.600 4.692 6.475 1.00 0.00 H new ATOM 478 N LEU A 35 -7.310 4.147 11.057 1.00 0.00 N ATOM 479 CA LEU A 35 -5.941 4.161 11.555 1.00 0.00 C ATOM 480 C LEU A 35 -4.949 3.962 10.413 1.00 0.00 C ATOM 481 O LEU A 35 -3.801 3.596 10.633 1.00 0.00 O ATOM 482 CB LEU A 35 -5.760 3.090 12.647 1.00 0.00 C ATOM 483 CG LEU A 35 -6.431 1.730 12.385 1.00 0.00 C ATOM 484 CD1 LEU A 35 -5.702 0.939 11.309 1.00 0.00 C ATOM 485 CD2 LEU A 35 -6.504 0.929 13.674 1.00 0.00 C ATOM 0 H LEU A 35 -7.616 3.245 10.692 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.740 5.136 12.000 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.692 2.923 12.789 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.148 3.488 13.585 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.441 1.920 12.022 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.207 -0.015 11.154 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.702 1.506 10.378 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.674 0.758 11.624 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.980 -0.032 13.479 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.497 0.764 14.057 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.087 1.480 14.412 1.00 0.00 H new ATOM 497 N GLY A 36 -5.404 4.220 9.193 1.00 0.00 N ATOM 498 CA GLY A 36 -4.562 4.032 8.030 1.00 0.00 C ATOM 499 C GLY A 36 -4.863 5.044 6.945 1.00 0.00 C ATOM 500 O GLY A 36 -5.878 5.738 7.003 1.00 0.00 O ATOM 0 H GLY A 36 -6.345 4.557 8.989 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.515 4.114 8.323 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.705 3.025 7.637 1.00 0.00 H new ATOM 504 N GLN A 37 -3.982 5.132 5.958 1.00 0.00 N ATOM 505 CA GLN A 37 -4.150 6.079 4.863 1.00 0.00 C ATOM 506 C GLN A 37 -4.578 5.348 3.594 1.00 0.00 C ATOM 507 O GLN A 37 -4.270 4.168 3.418 1.00 0.00 O ATOM 508 CB GLN A 37 -2.847 6.841 4.615 1.00 0.00 C ATOM 509 CG GLN A 37 -2.294 7.542 5.850 1.00 0.00 C ATOM 510 CD GLN A 37 -3.204 8.636 6.377 1.00 0.00 C ATOM 511 OE1 GLN A 37 -3.103 9.795 5.976 1.00 0.00 O ATOM 512 NE2 GLN A 37 -4.091 8.279 7.291 1.00 0.00 N ATOM 0 H GLN A 37 -3.142 4.558 5.893 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.927 6.793 5.137 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.097 6.145 4.239 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.015 7.582 3.834 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.131 6.804 6.636 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.321 7.972 5.610 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.144 7.308 7.598 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.722 8.975 7.689 1.00 0.00 H new ATOM 521 N TYR A 38 -5.304 6.043 2.723 1.00 0.00 N ATOM 522 CA TYR A 38 -5.812 5.436 1.494 1.00 0.00 C ATOM 523 C TYR A 38 -5.666 6.402 0.317 1.00 0.00 C ATOM 524 O TYR A 38 -5.644 7.622 0.504 1.00 0.00 O ATOM 525 CB TYR A 38 -7.296 5.068 1.652 1.00 0.00 C ATOM 526 CG TYR A 38 -7.663 4.476 2.998 1.00 0.00 C ATOM 527 CD1 TYR A 38 -7.395 3.147 3.296 1.00 0.00 C ATOM 528 CD2 TYR A 38 -8.280 5.258 3.971 1.00 0.00 C ATOM 529 CE1 TYR A 38 -7.731 2.612 4.526 1.00 0.00 C ATOM 530 CE2 TYR A 38 -8.621 4.729 5.201 1.00 0.00 C ATOM 531 CZ TYR A 38 -8.343 3.405 5.472 1.00 0.00 C ATOM 532 OH TYR A 38 -8.672 2.874 6.697 1.00 0.00 O ATOM 0 H TYR A 38 -5.554 7.025 2.844 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.229 4.536 1.300 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.897 5.962 1.488 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.564 4.356 0.872 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.917 2.522 2.556 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.496 6.295 3.761 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.515 1.577 4.744 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -9.102 5.347 5.945 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.037 2.163 6.927 1.00 0.00 H new ATOM 542 N ILE A 39 -5.567 5.849 -0.884 1.00 0.00 N ATOM 543 CA ILE A 39 -5.536 6.636 -2.109 1.00 0.00 C ATOM 544 C ILE A 39 -6.913 7.233 -2.368 1.00 0.00 C ATOM 545 O ILE A 39 -7.902 6.506 -2.476 1.00 0.00 O ATOM 546 CB ILE A 39 -5.156 5.775 -3.336 1.00 0.00 C ATOM 547 CG1 ILE A 39 -3.862 4.990 -3.090 1.00 0.00 C ATOM 548 CG2 ILE A 39 -5.027 6.645 -4.578 1.00 0.00 C ATOM 549 CD1 ILE A 39 -2.594 5.804 -3.185 1.00 0.00 C ATOM 0 H ILE A 39 -5.506 4.842 -1.037 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.785 7.415 -1.974 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.956 5.053 -3.497 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.912 4.537 -2.100 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.807 4.174 -3.811 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.759 6.023 -5.432 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.977 7.142 -4.775 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.252 7.395 -4.418 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.734 5.161 -2.996 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.512 6.235 -4.183 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.619 6.604 -2.445 1.00 0.00 H new ATOM 561 N ARG A 40 -6.983 8.549 -2.459 1.00 0.00 N ATOM 562 CA ARG A 40 -8.246 9.217 -2.727 1.00 0.00 C ATOM 563 C ARG A 40 -8.349 9.555 -4.211 1.00 0.00 C ATOM 564 O ARG A 40 -9.444 9.693 -4.749 1.00 0.00 O ATOM 565 CB ARG A 40 -8.383 10.483 -1.863 1.00 0.00 C ATOM 566 CG ARG A 40 -7.779 11.737 -2.458 1.00 0.00 C ATOM 567 CD ARG A 40 -8.840 12.783 -2.771 1.00 0.00 C ATOM 568 NE ARG A 40 -9.821 12.305 -3.746 1.00 0.00 N ATOM 569 CZ ARG A 40 -10.687 13.092 -4.378 1.00 0.00 C ATOM 570 NH1 ARG A 40 -10.684 14.402 -4.159 1.00 0.00 N ATOM 571 NH2 ARG A 40 -11.554 12.570 -5.235 1.00 0.00 N ATOM 0 H ARG A 40 -6.185 9.175 -2.352 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.064 8.545 -2.466 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.442 10.663 -1.675 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.915 10.297 -0.897 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.051 12.155 -1.763 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.239 11.483 -3.370 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.353 13.064 -1.851 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.358 13.682 -3.155 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.842 11.307 -3.954 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.016 14.808 -3.504 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.350 15.002 -4.646 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.557 11.565 -5.409 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.218 13.173 -5.720 1.00 0.00 H new ATOM 585 N LEU A 41 -7.196 9.703 -4.857 1.00 0.00 N ATOM 586 CA LEU A 41 -7.140 10.024 -6.279 1.00 0.00 C ATOM 587 C LEU A 41 -5.741 9.763 -6.807 1.00 0.00 C ATOM 588 O LEU A 41 -4.767 9.902 -6.080 1.00 0.00 O ATOM 589 CB LEU A 41 -7.554 11.492 -6.509 1.00 0.00 C ATOM 590 CG LEU A 41 -7.749 11.927 -7.971 1.00 0.00 C ATOM 591 CD1 LEU A 41 -8.752 13.066 -8.048 1.00 0.00 C ATOM 592 CD2 LEU A 41 -6.433 12.371 -8.597 1.00 0.00 C ATOM 0 H LEU A 41 -6.282 9.605 -4.414 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.839 9.388 -6.822 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.485 11.672 -5.972 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.797 12.135 -6.059 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.124 11.067 -8.526 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.883 13.366 -9.088 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.709 12.736 -7.643 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.385 13.914 -7.469 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.605 12.672 -9.630 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.029 13.214 -8.036 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.722 11.545 -8.573 1.00 0.00 H new ATOM 604 N VAL A 42 -5.651 9.353 -8.053 1.00 0.00 N ATOM 605 CA VAL A 42 -4.370 9.204 -8.716 1.00 0.00 C ATOM 606 C VAL A 42 -4.417 9.872 -10.089 1.00 0.00 C ATOM 607 O VAL A 42 -5.274 9.560 -10.919 1.00 0.00 O ATOM 608 CB VAL A 42 -3.945 7.718 -8.803 1.00 0.00 C ATOM 609 CG1 VAL A 42 -5.097 6.832 -9.239 1.00 0.00 C ATOM 610 CG2 VAL A 42 -2.755 7.543 -9.724 1.00 0.00 C ATOM 0 H VAL A 42 -6.455 9.115 -8.633 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.606 9.705 -8.122 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.649 7.407 -7.801 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.761 5.796 -9.289 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.912 6.915 -8.520 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.447 7.147 -10.222 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.479 6.489 -9.766 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.015 7.890 -10.724 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.914 8.124 -9.346 1.00 0.00 H new ATOM 620 N GLU A 43 -3.512 10.826 -10.291 1.00 0.00 N ATOM 621 CA GLU A 43 -3.503 11.667 -11.486 1.00 0.00 C ATOM 622 C GLU A 43 -3.336 10.826 -12.743 1.00 0.00 C ATOM 623 O GLU A 43 -2.441 9.987 -12.818 1.00 0.00 O ATOM 624 CB GLU A 43 -2.357 12.678 -11.403 1.00 0.00 C ATOM 625 CG GLU A 43 -2.424 13.601 -10.198 1.00 0.00 C ATOM 626 CD GLU A 43 -3.464 14.688 -10.337 1.00 0.00 C ATOM 627 OE1 GLU A 43 -3.346 15.508 -11.267 1.00 0.00 O ATOM 628 OE2 GLU A 43 -4.376 14.756 -9.494 1.00 0.00 O ATOM 0 H GLU A 43 -2.764 11.038 -9.631 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.458 12.191 -11.537 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.411 12.137 -11.379 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.355 13.283 -12.310 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.642 13.011 -9.308 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.447 14.059 -10.045 1.00 0.00 H new ATOM 635 N PRO A 44 -4.194 11.033 -13.745 1.00 0.00 N ATOM 636 CA PRO A 44 -4.098 10.324 -15.016 1.00 0.00 C ATOM 637 C PRO A 44 -2.825 10.690 -15.762 1.00 0.00 C ATOM 638 O PRO A 44 -2.592 11.854 -16.100 1.00 0.00 O ATOM 639 CB PRO A 44 -5.331 10.775 -15.800 1.00 0.00 C ATOM 640 CG PRO A 44 -6.222 11.417 -14.797 1.00 0.00 C ATOM 641 CD PRO A 44 -5.329 11.961 -13.722 1.00 0.00 C ATOM 0 HA PRO A 44 -4.061 9.244 -14.876 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.060 11.475 -16.590 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.824 9.929 -16.279 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.810 12.214 -15.253 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.928 10.695 -14.387 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.019 12.985 -13.933 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.824 11.971 -12.751 1.00 0.00 H new ATOM 649 N GLY A 45 -2.003 9.690 -16.003 1.00 0.00 N ATOM 650 CA GLY A 45 -0.740 9.902 -16.677 1.00 0.00 C ATOM 651 C GLY A 45 0.406 10.095 -15.705 1.00 0.00 C ATOM 652 O GLY A 45 1.487 10.544 -16.091 1.00 0.00 O ATOM 0 H GLY A 45 -2.187 8.721 -15.742 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.527 9.049 -17.321 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.818 10.777 -17.322 1.00 0.00 H new ATOM 656 N SER A 46 0.172 9.767 -14.443 1.00 0.00 N ATOM 657 CA SER A 46 1.197 9.902 -13.420 1.00 0.00 C ATOM 658 C SER A 46 1.981 8.601 -13.282 1.00 0.00 C ATOM 659 O SER A 46 1.516 7.535 -13.698 1.00 0.00 O ATOM 660 CB SER A 46 0.557 10.263 -12.075 1.00 0.00 C ATOM 661 OG SER A 46 -0.283 9.219 -11.614 1.00 0.00 O ATOM 0 H SER A 46 -0.719 9.405 -14.103 1.00 0.00 H new ATOM 0 HA SER A 46 1.879 10.699 -13.717 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.336 10.459 -11.339 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.022 11.181 -12.179 1.00 0.00 H new ATOM 0 HG SER A 46 -1.208 9.400 -11.884 1.00 0.00 H new ATOM 667 N PRO A 47 3.188 8.674 -12.697 1.00 0.00 N ATOM 668 CA PRO A 47 3.987 7.490 -12.386 1.00 0.00 C ATOM 669 C PRO A 47 3.307 6.621 -11.335 1.00 0.00 C ATOM 670 O PRO A 47 3.634 5.445 -11.178 1.00 0.00 O ATOM 671 CB PRO A 47 5.301 8.065 -11.846 1.00 0.00 C ATOM 672 CG PRO A 47 4.960 9.442 -11.394 1.00 0.00 C ATOM 673 CD PRO A 47 3.876 9.918 -12.313 1.00 0.00 C ATOM 0 HA PRO A 47 4.129 6.846 -13.254 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.687 7.463 -11.023 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.071 8.082 -12.617 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.621 9.441 -10.358 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.830 10.097 -11.444 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.201 10.613 -11.813 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.283 10.437 -13.181 1.00 0.00 H new ATOM 681 N ALA A 48 2.346 7.210 -10.628 1.00 0.00 N ATOM 682 CA ALA A 48 1.591 6.499 -9.612 1.00 0.00 C ATOM 683 C ALA A 48 0.745 5.398 -10.241 1.00 0.00 C ATOM 684 O ALA A 48 0.690 4.276 -9.731 1.00 0.00 O ATOM 685 CB ALA A 48 0.717 7.470 -8.829 1.00 0.00 C ATOM 0 H ALA A 48 2.074 8.186 -10.745 1.00 0.00 H new ATOM 0 HA ALA A 48 2.293 6.032 -8.922 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.156 6.924 -8.070 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.346 8.218 -8.347 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.022 7.964 -9.509 1.00 0.00 H new ATOM 691 N GLU A 49 0.102 5.713 -11.364 1.00 0.00 N ATOM 692 CA GLU A 49 -0.705 4.729 -12.075 1.00 0.00 C ATOM 693 C GLU A 49 0.186 3.620 -12.617 1.00 0.00 C ATOM 694 O GLU A 49 -0.188 2.448 -12.619 1.00 0.00 O ATOM 695 CB GLU A 49 -1.460 5.362 -13.243 1.00 0.00 C ATOM 696 CG GLU A 49 -2.259 6.603 -12.892 1.00 0.00 C ATOM 697 CD GLU A 49 -3.246 6.959 -13.982 1.00 0.00 C ATOM 698 OE1 GLU A 49 -2.804 7.288 -15.107 1.00 0.00 O ATOM 699 OE2 GLU A 49 -4.466 6.878 -13.737 1.00 0.00 O ATOM 0 H GLU A 49 0.125 6.636 -11.797 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.428 4.325 -11.366 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.743 5.618 -14.023 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.137 4.619 -13.664 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.793 6.439 -11.956 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.579 7.439 -12.729 1.00 0.00 H new ATOM 706 N LYS A 50 1.377 4.007 -13.061 1.00 0.00 N ATOM 707 CA LYS A 50 2.319 3.078 -13.675 1.00 0.00 C ATOM 708 C LYS A 50 2.844 2.075 -12.653 1.00 0.00 C ATOM 709 O LYS A 50 3.244 0.965 -13.002 1.00 0.00 O ATOM 710 CB LYS A 50 3.486 3.850 -14.295 1.00 0.00 C ATOM 711 CG LYS A 50 3.050 4.958 -15.244 1.00 0.00 C ATOM 712 CD LYS A 50 2.221 4.419 -16.398 1.00 0.00 C ATOM 713 CE LYS A 50 1.667 5.540 -17.265 1.00 0.00 C ATOM 714 NZ LYS A 50 2.744 6.341 -17.904 1.00 0.00 N ATOM 0 H LYS A 50 1.715 4.968 -13.006 1.00 0.00 H new ATOM 0 HA LYS A 50 1.794 2.527 -14.456 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.089 4.283 -13.497 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.126 3.152 -14.835 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.470 5.699 -14.695 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.930 5.468 -15.636 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.834 3.756 -17.008 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.398 3.821 -16.007 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.025 5.116 -18.037 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.043 6.194 -16.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.324 7.015 -18.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.269 6.862 -17.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.394 5.707 -18.411 1.00 0.00 H new ATOM 728 N ALA A 51 2.842 2.471 -11.386 1.00 0.00 N ATOM 729 CA ALA A 51 3.284 1.592 -10.316 1.00 0.00 C ATOM 730 C ALA A 51 2.176 0.634 -9.899 1.00 0.00 C ATOM 731 O ALA A 51 2.437 -0.401 -9.287 1.00 0.00 O ATOM 732 CB ALA A 51 3.752 2.402 -9.124 1.00 0.00 C ATOM 0 H ALA A 51 2.539 3.395 -11.077 1.00 0.00 H new ATOM 0 HA ALA A 51 4.120 1.002 -10.691 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.079 1.728 -8.332 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.582 3.042 -9.422 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.931 3.019 -8.759 1.00 0.00 H new ATOM 738 N GLY A 52 0.942 0.978 -10.250 1.00 0.00 N ATOM 739 CA GLY A 52 -0.184 0.129 -9.923 1.00 0.00 C ATOM 740 C GLY A 52 -0.995 0.648 -8.751 1.00 0.00 C ATOM 741 O GLY A 52 -1.588 -0.132 -8.011 1.00 0.00 O ATOM 0 H GLY A 52 0.703 1.831 -10.756 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.831 0.041 -10.795 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.178 -0.873 -9.692 1.00 0.00 H new ATOM 745 N LEU A 53 -1.017 1.962 -8.570 1.00 0.00 N ATOM 746 CA LEU A 53 -1.826 2.565 -7.515 1.00 0.00 C ATOM 747 C LEU A 53 -3.246 2.807 -8.012 1.00 0.00 C ATOM 748 O LEU A 53 -3.462 3.076 -9.194 1.00 0.00 O ATOM 749 CB LEU A 53 -1.206 3.881 -7.035 1.00 0.00 C ATOM 750 CG LEU A 53 0.158 3.749 -6.354 1.00 0.00 C ATOM 751 CD1 LEU A 53 0.666 5.114 -5.926 1.00 0.00 C ATOM 752 CD2 LEU A 53 0.073 2.818 -5.153 1.00 0.00 C ATOM 0 H LEU A 53 -0.489 2.628 -9.134 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.857 1.873 -6.673 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.104 4.549 -7.890 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.897 4.357 -6.339 1.00 0.00 H new ATOM 0 HG LEU A 53 0.859 3.321 -7.071 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.637 5.006 -5.443 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.766 5.756 -6.801 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.040 5.562 -5.226 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.054 2.739 -4.684 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.642 3.217 -4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.254 1.831 -5.480 1.00 0.00 H new ATOM 764 N LEU A 54 -4.207 2.710 -7.107 1.00 0.00 N ATOM 765 CA LEU A 54 -5.611 2.875 -7.459 1.00 0.00 C ATOM 766 C LEU A 54 -6.352 3.532 -6.300 1.00 0.00 C ATOM 767 O LEU A 54 -6.082 3.226 -5.140 1.00 0.00 O ATOM 768 CB LEU A 54 -6.219 1.504 -7.793 1.00 0.00 C ATOM 769 CG LEU A 54 -7.625 1.519 -8.409 1.00 0.00 C ATOM 770 CD1 LEU A 54 -7.812 0.319 -9.321 1.00 0.00 C ATOM 771 CD2 LEU A 54 -8.689 1.509 -7.325 1.00 0.00 C ATOM 0 H LEU A 54 -4.041 2.517 -6.119 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.703 3.517 -8.335 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.548 0.990 -8.482 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.252 0.912 -6.879 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.730 2.434 -8.992 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.813 0.342 -9.751 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.072 0.351 -10.121 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.685 -0.598 -8.746 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.677 1.520 -7.785 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.581 0.610 -6.718 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.573 2.390 -6.693 1.00 0.00 H new ATOM 783 N ALA A 55 -7.267 4.445 -6.618 1.00 0.00 N ATOM 784 CA ALA A 55 -8.046 5.139 -5.598 1.00 0.00 C ATOM 785 C ALA A 55 -9.072 4.205 -4.973 1.00 0.00 C ATOM 786 O ALA A 55 -10.248 4.199 -5.345 1.00 0.00 O ATOM 787 CB ALA A 55 -8.723 6.364 -6.193 1.00 0.00 C ATOM 0 H ALA A 55 -7.487 4.721 -7.575 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.368 5.468 -4.811 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.301 6.872 -5.421 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.966 7.043 -6.586 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.388 6.056 -7.000 1.00 0.00 H new ATOM 793 N GLY A 56 -8.602 3.409 -4.034 1.00 0.00 N ATOM 794 CA GLY A 56 -9.440 2.442 -3.367 1.00 0.00 C ATOM 795 C GLY A 56 -8.603 1.327 -2.786 1.00 0.00 C ATOM 796 O GLY A 56 -8.967 0.158 -2.861 1.00 0.00 O ATOM 0 H GLY A 56 -7.633 3.416 -3.715 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.008 2.929 -2.574 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.164 2.032 -4.071 1.00 0.00 H new ATOM 800 N ASP A 57 -7.454 1.703 -2.250 1.00 0.00 N ATOM 801 CA ASP A 57 -6.510 0.759 -1.659 1.00 0.00 C ATOM 802 C ASP A 57 -6.530 0.841 -0.132 1.00 0.00 C ATOM 803 O ASP A 57 -7.406 1.470 0.468 1.00 0.00 O ATOM 804 CB ASP A 57 -5.106 1.143 -2.106 1.00 0.00 C ATOM 805 CG ASP A 57 -4.654 2.397 -1.391 1.00 0.00 C ATOM 806 OD1 ASP A 57 -5.461 3.345 -1.314 1.00 0.00 O ATOM 807 OD2 ASP A 57 -3.517 2.434 -0.896 1.00 0.00 O ATOM 0 H ASP A 57 -7.145 2.674 -2.211 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.787 -0.246 -1.976 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.414 0.327 -1.897 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.091 1.305 -3.184 1.00 0.00 H new ATOM 812 N ARG A 58 -5.561 0.172 0.476 1.00 0.00 N ATOM 813 CA ARG A 58 -5.110 0.499 1.815 1.00 0.00 C ATOM 814 C ARG A 58 -3.590 0.547 1.802 1.00 0.00 C ATOM 815 O ARG A 58 -2.944 -0.423 1.397 1.00 0.00 O ATOM 816 CB ARG A 58 -5.557 -0.515 2.873 1.00 0.00 C ATOM 817 CG ARG A 58 -5.155 -0.076 4.276 1.00 0.00 C ATOM 818 CD ARG A 58 -4.940 -1.244 5.227 1.00 0.00 C ATOM 819 NE ARG A 58 -6.161 -1.998 5.481 1.00 0.00 N ATOM 820 CZ ARG A 58 -6.965 -1.797 6.524 1.00 0.00 C ATOM 821 NH1 ARG A 58 -6.694 -0.854 7.419 1.00 0.00 N ATOM 822 NH2 ARG A 58 -8.033 -2.560 6.679 1.00 0.00 N ATOM 0 H ARG A 58 -5.067 -0.613 0.052 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.554 1.457 2.085 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.639 -0.638 2.826 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.116 -1.488 2.655 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.239 0.511 4.218 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.927 0.578 4.681 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.186 -1.912 4.810 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.547 -0.869 6.172 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.417 -2.728 4.816 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.862 -0.273 7.312 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.318 -0.710 8.213 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.236 -3.296 6.003 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.654 -2.413 7.475 1.00 0.00 H new ATOM 836 N LEU A 59 -3.027 1.668 2.220 1.00 0.00 N ATOM 837 CA LEU A 59 -1.584 1.814 2.287 1.00 0.00 C ATOM 838 C LEU A 59 -1.032 0.968 3.431 1.00 0.00 C ATOM 839 O LEU A 59 -1.143 1.332 4.602 1.00 0.00 O ATOM 840 CB LEU A 59 -1.221 3.290 2.477 1.00 0.00 C ATOM 841 CG LEU A 59 0.268 3.620 2.389 1.00 0.00 C ATOM 842 CD1 LEU A 59 0.821 3.217 1.031 1.00 0.00 C ATOM 843 CD2 LEU A 59 0.492 5.104 2.642 1.00 0.00 C ATOM 0 H LEU A 59 -3.549 2.492 2.519 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.139 1.466 1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.750 3.875 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.590 3.614 3.450 1.00 0.00 H new ATOM 0 HG LEU A 59 0.799 3.055 3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.883 3.459 0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.686 2.145 0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.291 3.758 0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.557 5.328 2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.047 5.686 1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.127 5.363 3.636 1.00 0.00 H new ATOM 855 N VAL A 60 -0.462 -0.177 3.077 1.00 0.00 N ATOM 856 CA VAL A 60 0.019 -1.138 4.061 1.00 0.00 C ATOM 857 C VAL A 60 1.453 -0.833 4.486 1.00 0.00 C ATOM 858 O VAL A 60 1.791 -0.923 5.665 1.00 0.00 O ATOM 859 CB VAL A 60 -0.053 -2.581 3.507 1.00 0.00 C ATOM 860 CG1 VAL A 60 0.432 -3.589 4.537 1.00 0.00 C ATOM 861 CG2 VAL A 60 -1.469 -2.912 3.064 1.00 0.00 C ATOM 0 H VAL A 60 -0.321 -0.464 2.108 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.631 -1.054 4.932 1.00 0.00 H new ATOM 0 HB VAL A 60 0.606 -2.641 2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.370 -4.594 4.120 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.466 -3.369 4.802 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.192 -3.527 5.429 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.501 -3.931 2.677 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.146 -2.825 3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.777 -2.218 2.283 1.00 0.00 H new ATOM 871 N GLU A 61 2.294 -0.465 3.529 1.00 0.00 N ATOM 872 CA GLU A 61 3.700 -0.220 3.817 1.00 0.00 C ATOM 873 C GLU A 61 4.272 0.856 2.898 1.00 0.00 C ATOM 874 O GLU A 61 3.821 1.019 1.764 1.00 0.00 O ATOM 875 CB GLU A 61 4.485 -1.531 3.676 1.00 0.00 C ATOM 876 CG GLU A 61 5.987 -1.364 3.784 1.00 0.00 C ATOM 877 CD GLU A 61 6.700 -2.662 4.075 1.00 0.00 C ATOM 878 OE1 GLU A 61 6.576 -3.170 5.208 1.00 0.00 O ATOM 879 OE2 GLU A 61 7.405 -3.166 3.186 1.00 0.00 O ATOM 0 H GLU A 61 2.029 -0.330 2.553 1.00 0.00 H new ATOM 0 HA GLU A 61 3.791 0.144 4.840 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.151 -2.227 4.445 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.248 -1.983 2.713 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.369 -0.945 2.853 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.212 -0.646 4.573 1.00 0.00 H new ATOM 886 N VAL A 62 5.275 1.576 3.402 1.00 0.00 N ATOM 887 CA VAL A 62 5.948 2.622 2.641 1.00 0.00 C ATOM 888 C VAL A 62 7.461 2.465 2.749 1.00 0.00 C ATOM 889 O VAL A 62 8.026 2.535 3.840 1.00 0.00 O ATOM 890 CB VAL A 62 5.561 4.040 3.124 1.00 0.00 C ATOM 891 CG1 VAL A 62 6.292 5.102 2.317 1.00 0.00 C ATOM 892 CG2 VAL A 62 4.060 4.256 3.040 1.00 0.00 C ATOM 0 H VAL A 62 5.640 1.449 4.346 1.00 0.00 H new ATOM 0 HA VAL A 62 5.627 2.512 1.605 1.00 0.00 H new ATOM 0 HB VAL A 62 5.860 4.128 4.168 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.005 6.091 2.673 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.368 4.972 2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.028 5.005 1.264 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.817 5.261 3.386 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.733 4.139 2.007 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.551 3.524 3.667 1.00 0.00 H new ATOM 902 N ASN A 63 8.092 2.221 1.607 1.00 0.00 N ATOM 903 CA ASN A 63 9.550 2.147 1.489 1.00 0.00 C ATOM 904 C ASN A 63 10.148 1.031 2.335 1.00 0.00 C ATOM 905 O ASN A 63 11.337 1.057 2.659 1.00 0.00 O ATOM 906 CB ASN A 63 10.210 3.487 1.846 1.00 0.00 C ATOM 907 CG ASN A 63 9.930 4.561 0.816 1.00 0.00 C ATOM 908 OD1 ASN A 63 9.727 4.268 -0.362 1.00 0.00 O ATOM 909 ND2 ASN A 63 9.916 5.812 1.251 1.00 0.00 N ATOM 0 H ASN A 63 7.604 2.067 0.725 1.00 0.00 H new ATOM 0 HA ASN A 63 9.758 1.918 0.444 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.849 3.818 2.820 1.00 0.00 H new ATOM 0 HB3 ASN A 63 11.287 3.346 1.936 1.00 0.00 H new ATOM 0 HD21 ASN A 63 9.732 6.576 0.601 1.00 0.00 H new ATOM 0 HD22 ASN A 63 10.089 6.011 2.236 1.00 0.00 H new ATOM 916 N GLY A 64 9.335 0.044 2.678 1.00 0.00 N ATOM 917 CA GLY A 64 9.830 -1.079 3.447 1.00 0.00 C ATOM 918 C GLY A 64 9.453 -1.003 4.911 1.00 0.00 C ATOM 919 O GLY A 64 9.906 -1.823 5.712 1.00 0.00 O ATOM 0 H GLY A 64 8.344 -0.000 2.439 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.438 -2.004 3.024 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.916 -1.123 3.358 1.00 0.00 H new ATOM 923 N GLU A 65 8.616 -0.038 5.273 1.00 0.00 N ATOM 924 CA GLU A 65 8.178 0.090 6.650 1.00 0.00 C ATOM 925 C GLU A 65 6.662 0.070 6.735 1.00 0.00 C ATOM 926 O GLU A 65 5.972 0.764 5.986 1.00 0.00 O ATOM 927 CB GLU A 65 8.726 1.362 7.295 1.00 0.00 C ATOM 928 CG GLU A 65 8.431 1.441 8.785 1.00 0.00 C ATOM 929 CD GLU A 65 8.905 0.209 9.533 1.00 0.00 C ATOM 930 OE1 GLU A 65 8.199 -0.826 9.505 1.00 0.00 O ATOM 931 OE2 GLU A 65 9.982 0.267 10.153 1.00 0.00 O ATOM 0 H GLU A 65 8.232 0.660 4.636 1.00 0.00 H new ATOM 0 HA GLU A 65 8.573 -0.764 7.200 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.804 1.407 7.140 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.295 2.231 6.797 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.914 2.325 9.202 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.358 1.564 8.935 1.00 0.00 H new ATOM 938 N ASN A 66 6.165 -0.727 7.664 1.00 0.00 N ATOM 939 CA ASN A 66 4.744 -0.972 7.809 1.00 0.00 C ATOM 940 C ASN A 66 4.013 0.288 8.251 1.00 0.00 C ATOM 941 O ASN A 66 4.381 0.912 9.249 1.00 0.00 O ATOM 942 CB ASN A 66 4.519 -2.080 8.834 1.00 0.00 C ATOM 943 CG ASN A 66 3.076 -2.515 8.901 1.00 0.00 C ATOM 944 OD1 ASN A 66 2.270 -1.935 9.627 1.00 0.00 O ATOM 945 ND2 ASN A 66 2.746 -3.551 8.151 1.00 0.00 N ATOM 0 H ASN A 66 6.741 -1.225 8.343 1.00 0.00 H new ATOM 0 HA ASN A 66 4.347 -1.276 6.840 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.143 -2.937 8.582 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.837 -1.732 9.817 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.788 -3.902 8.159 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.449 -4.000 7.564 1.00 0.00 H new ATOM 952 N VAL A 67 2.978 0.661 7.513 1.00 0.00 N ATOM 953 CA VAL A 67 2.213 1.855 7.836 1.00 0.00 C ATOM 954 C VAL A 67 0.720 1.547 7.954 1.00 0.00 C ATOM 955 O VAL A 67 -0.120 2.422 7.743 1.00 0.00 O ATOM 956 CB VAL A 67 2.429 2.983 6.801 1.00 0.00 C ATOM 957 CG1 VAL A 67 3.894 3.389 6.748 1.00 0.00 C ATOM 958 CG2 VAL A 67 1.940 2.572 5.422 1.00 0.00 C ATOM 0 H VAL A 67 2.650 0.156 6.690 1.00 0.00 H new ATOM 0 HA VAL A 67 2.581 2.202 8.801 1.00 0.00 H new ATOM 0 HB VAL A 67 1.841 3.843 7.121 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.025 4.184 6.014 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.208 3.746 7.729 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.500 2.529 6.463 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.107 3.388 4.719 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.487 1.689 5.090 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.875 2.344 5.467 1.00 0.00 H new ATOM 968 N GLU A 68 0.401 0.304 8.322 1.00 0.00 N ATOM 969 CA GLU A 68 -0.989 -0.124 8.484 1.00 0.00 C ATOM 970 C GLU A 68 -1.711 0.719 9.532 1.00 0.00 C ATOM 971 O GLU A 68 -2.928 0.886 9.473 1.00 0.00 O ATOM 972 CB GLU A 68 -1.058 -1.596 8.899 1.00 0.00 C ATOM 973 CG GLU A 68 -0.701 -2.586 7.800 1.00 0.00 C ATOM 974 CD GLU A 68 -0.737 -4.019 8.288 1.00 0.00 C ATOM 975 OE1 GLU A 68 -1.843 -4.563 8.489 1.00 0.00 O ATOM 976 OE2 GLU A 68 0.347 -4.601 8.504 1.00 0.00 O ATOM 0 H GLU A 68 1.089 -0.425 8.514 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.480 0.009 7.520 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.386 -1.753 9.743 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.067 -1.813 9.251 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.396 -2.469 6.968 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.294 -2.359 7.418 1.00 0.00 H new ATOM 983 N LYS A 69 -0.952 1.236 10.491 1.00 0.00 N ATOM 984 CA LYS A 69 -1.522 2.011 11.584 1.00 0.00 C ATOM 985 C LYS A 69 -0.806 3.352 11.746 1.00 0.00 C ATOM 986 O LYS A 69 -0.569 3.808 12.869 1.00 0.00 O ATOM 987 CB LYS A 69 -1.437 1.218 12.889 1.00 0.00 C ATOM 988 CG LYS A 69 -0.022 0.793 13.249 1.00 0.00 C ATOM 989 CD LYS A 69 0.034 0.150 14.622 1.00 0.00 C ATOM 990 CE LYS A 69 -0.369 1.126 15.715 1.00 0.00 C ATOM 991 NZ LYS A 69 0.500 2.333 15.737 1.00 0.00 N ATOM 0 H LYS A 69 0.062 1.132 10.533 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.567 2.209 11.346 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.844 1.823 13.700 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.065 0.331 12.807 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.349 0.091 12.502 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.637 1.661 13.226 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.627 -0.716 14.646 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.044 -0.214 14.813 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.405 1.429 15.566 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.319 0.627 16.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.339 2.861 16.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.498 2.044 15.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.272 2.940 14.924 1.00 0.00 H new ATOM 1005 N GLU A 70 -0.458 3.984 10.633 1.00 0.00 N ATOM 1006 CA GLU A 70 0.270 5.245 10.680 1.00 0.00 C ATOM 1007 C GLU A 70 -0.626 6.432 10.384 1.00 0.00 C ATOM 1008 O GLU A 70 -1.766 6.287 9.938 1.00 0.00 O ATOM 1009 CB GLU A 70 1.440 5.237 9.700 1.00 0.00 C ATOM 1010 CG GLU A 70 2.550 4.297 10.107 1.00 0.00 C ATOM 1011 CD GLU A 70 3.056 4.565 11.503 1.00 0.00 C ATOM 1012 OE1 GLU A 70 3.702 5.607 11.720 1.00 0.00 O ATOM 1013 OE2 GLU A 70 2.814 3.725 12.391 1.00 0.00 O ATOM 0 H GLU A 70 -0.666 3.647 9.693 1.00 0.00 H new ATOM 0 HA GLU A 70 0.649 5.348 11.697 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.076 4.954 8.712 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.841 6.247 9.614 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.191 3.269 10.046 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.376 4.389 9.401 1.00 0.00 H new ATOM 1020 N THR A 71 -0.082 7.608 10.637 1.00 0.00 N ATOM 1021 CA THR A 71 -0.797 8.850 10.434 1.00 0.00 C ATOM 1022 C THR A 71 -0.421 9.464 9.096 1.00 0.00 C ATOM 1023 O THR A 71 0.431 8.930 8.384 1.00 0.00 O ATOM 1024 CB THR A 71 -0.451 9.862 11.535 1.00 0.00 C ATOM 1025 OG1 THR A 71 0.943 10.175 11.456 1.00 0.00 O ATOM 1026 CG2 THR A 71 -0.765 9.308 12.915 1.00 0.00 C ATOM 0 H THR A 71 0.868 7.727 10.989 1.00 0.00 H new ATOM 0 HA THR A 71 -1.863 8.624 10.459 1.00 0.00 H new ATOM 0 HB THR A 71 -1.054 10.757 11.384 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.166 10.846 12.134 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.508 10.049 13.672 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.828 9.076 12.981 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.184 8.401 13.084 1.00 0.00 H new ATOM 1034 N HIS A 72 -1.026 10.594 8.769 1.00 0.00 N ATOM 1035 CA HIS A 72 -0.675 11.313 7.561 1.00 0.00 C ATOM 1036 C HIS A 72 0.754 11.825 7.665 1.00 0.00 C ATOM 1037 O HIS A 72 1.552 11.666 6.742 1.00 0.00 O ATOM 1038 CB HIS A 72 -1.641 12.483 7.330 1.00 0.00 C ATOM 1039 CG HIS A 72 -1.270 13.360 6.167 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -1.735 13.149 4.889 1.00 0.00 N ATOM 1041 CD2 HIS A 72 -0.471 14.452 6.097 1.00 0.00 C ATOM 1042 CE1 HIS A 72 -1.238 14.068 4.084 1.00 0.00 C ATOM 1043 NE2 HIS A 72 -0.470 14.871 4.791 1.00 0.00 N ATOM 0 H HIS A 72 -1.762 11.031 9.324 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.751 10.633 6.713 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -2.643 12.087 7.168 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.681 13.092 8.233 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.065 14.907 6.917 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -1.429 14.148 3.024 1.00 0.00 H new ATOM 0 HE2 HIS A 72 0.042 15.674 4.426 1.00 0.00 H new ATOM 1052 N GLN A 73 1.070 12.422 8.805 1.00 0.00 N ATOM 1053 CA GLN A 73 2.362 13.051 9.006 1.00 0.00 C ATOM 1054 C GLN A 73 3.490 12.020 9.014 1.00 0.00 C ATOM 1055 O GLN A 73 4.608 12.307 8.578 1.00 0.00 O ATOM 1056 CB GLN A 73 2.380 13.850 10.303 1.00 0.00 C ATOM 1057 CG GLN A 73 3.550 14.810 10.376 1.00 0.00 C ATOM 1058 CD GLN A 73 3.817 15.311 11.778 1.00 0.00 C ATOM 1059 OE1 GLN A 73 2.902 15.445 12.592 1.00 0.00 O ATOM 1060 NE2 GLN A 73 5.077 15.582 12.072 1.00 0.00 N ATOM 0 H GLN A 73 0.444 12.483 9.608 1.00 0.00 H new ATOM 0 HA GLN A 73 2.526 13.731 8.170 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.449 14.409 10.395 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.424 13.163 11.148 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.444 14.314 9.997 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.356 15.661 9.723 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.803 15.457 11.367 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.323 15.916 13.004 1.00 0.00 H new ATOM 1069 N GLN A 74 3.205 10.820 9.506 1.00 0.00 N ATOM 1070 CA GLN A 74 4.214 9.772 9.549 1.00 0.00 C ATOM 1071 C GLN A 74 4.534 9.265 8.148 1.00 0.00 C ATOM 1072 O GLN A 74 5.700 9.128 7.780 1.00 0.00 O ATOM 1073 CB GLN A 74 3.744 8.607 10.423 1.00 0.00 C ATOM 1074 CG GLN A 74 3.652 8.944 11.900 1.00 0.00 C ATOM 1075 CD GLN A 74 5.001 9.251 12.513 1.00 0.00 C ATOM 1076 OE1 GLN A 74 5.446 10.398 12.529 1.00 0.00 O ATOM 1077 NE2 GLN A 74 5.665 8.224 13.017 1.00 0.00 N ATOM 0 H GLN A 74 2.293 10.551 9.877 1.00 0.00 H new ATOM 0 HA GLN A 74 5.119 10.200 9.981 1.00 0.00 H new ATOM 0 HB2 GLN A 74 2.766 8.276 10.074 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.429 7.769 10.294 1.00 0.00 H new ATOM 0 HG2 GLN A 74 2.993 9.802 12.032 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.197 8.108 12.432 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.260 7.289 12.983 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.582 8.367 13.439 1.00 0.00 H new ATOM 1086 N VAL A 75 3.499 9.007 7.357 1.00 0.00 N ATOM 1087 CA VAL A 75 3.703 8.506 6.000 1.00 0.00 C ATOM 1088 C VAL A 75 4.241 9.581 5.061 1.00 0.00 C ATOM 1089 O VAL A 75 5.112 9.308 4.239 1.00 0.00 O ATOM 1090 CB VAL A 75 2.438 7.882 5.389 1.00 0.00 C ATOM 1091 CG1 VAL A 75 2.116 6.561 6.066 1.00 0.00 C ATOM 1092 CG2 VAL A 75 1.254 8.827 5.464 1.00 0.00 C ATOM 0 H VAL A 75 2.523 9.134 7.625 1.00 0.00 H new ATOM 0 HA VAL A 75 4.451 7.719 6.103 1.00 0.00 H new ATOM 0 HB VAL A 75 2.638 7.694 4.334 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.218 6.134 5.621 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.950 5.872 5.934 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.949 6.729 7.130 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.379 8.350 5.022 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.047 9.069 6.506 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.483 9.742 4.917 1.00 0.00 H new ATOM 1102 N VAL A 76 3.713 10.794 5.181 1.00 0.00 N ATOM 1103 CA VAL A 76 4.148 11.910 4.340 1.00 0.00 C ATOM 1104 C VAL A 76 5.647 12.146 4.496 1.00 0.00 C ATOM 1105 O VAL A 76 6.344 12.464 3.532 1.00 0.00 O ATOM 1106 CB VAL A 76 3.368 13.211 4.659 1.00 0.00 C ATOM 1107 CG1 VAL A 76 3.761 13.799 6.003 1.00 0.00 C ATOM 1108 CG2 VAL A 76 3.553 14.238 3.558 1.00 0.00 C ATOM 0 H VAL A 76 2.983 11.033 5.852 1.00 0.00 H new ATOM 0 HA VAL A 76 3.935 11.639 3.306 1.00 0.00 H new ATOM 0 HB VAL A 76 2.313 12.943 4.715 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.189 14.709 6.183 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.551 13.076 6.792 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.825 14.034 6.000 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.996 15.141 3.806 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.611 14.480 3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.185 13.832 2.616 1.00 0.00 H new ATOM 1118 N SER A 77 6.132 11.957 5.714 1.00 0.00 N ATOM 1119 CA SER A 77 7.552 12.086 6.004 1.00 0.00 C ATOM 1120 C SER A 77 8.337 11.019 5.246 1.00 0.00 C ATOM 1121 O SER A 77 9.417 11.283 4.720 1.00 0.00 O ATOM 1122 CB SER A 77 7.793 11.963 7.512 1.00 0.00 C ATOM 1123 OG SER A 77 9.140 12.250 7.852 1.00 0.00 O ATOM 0 H SER A 77 5.559 11.712 6.522 1.00 0.00 H new ATOM 0 HA SER A 77 7.896 13.068 5.678 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.130 12.646 8.044 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.542 10.954 7.840 1.00 0.00 H new ATOM 0 HG SER A 77 9.258 12.164 8.821 1.00 0.00 H new ATOM 1129 N ARG A 78 7.771 9.819 5.174 1.00 0.00 N ATOM 1130 CA ARG A 78 8.395 8.716 4.449 1.00 0.00 C ATOM 1131 C ARG A 78 8.432 9.011 2.953 1.00 0.00 C ATOM 1132 O ARG A 78 9.385 8.653 2.261 1.00 0.00 O ATOM 1133 CB ARG A 78 7.647 7.410 4.709 1.00 0.00 C ATOM 1134 CG ARG A 78 7.521 7.068 6.183 1.00 0.00 C ATOM 1135 CD ARG A 78 6.908 5.694 6.391 1.00 0.00 C ATOM 1136 NE ARG A 78 6.837 5.347 7.811 1.00 0.00 N ATOM 1137 CZ ARG A 78 7.903 5.061 8.561 1.00 0.00 C ATOM 1138 NH1 ARG A 78 9.115 5.048 8.019 1.00 0.00 N ATOM 1139 NH2 ARG A 78 7.751 4.763 9.844 1.00 0.00 N ATOM 0 H ARG A 78 6.879 9.584 5.610 1.00 0.00 H new ATOM 0 HA ARG A 78 9.418 8.609 4.809 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.650 7.478 4.273 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.163 6.597 4.198 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.505 7.102 6.650 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.907 7.819 6.680 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.907 5.672 5.960 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.500 4.947 5.862 1.00 0.00 H new ATOM 0 HE ARG A 78 5.918 5.322 8.254 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.233 5.257 7.028 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.929 4.829 8.594 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.819 4.752 10.258 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.566 4.544 10.417 1.00 0.00 H new ATOM 1153 N ILE A 79 7.386 9.667 2.463 1.00 0.00 N ATOM 1154 CA ILE A 79 7.321 10.088 1.070 1.00 0.00 C ATOM 1155 C ILE A 79 8.436 11.091 0.767 1.00 0.00 C ATOM 1156 O ILE A 79 9.041 11.064 -0.304 1.00 0.00 O ATOM 1157 CB ILE A 79 5.950 10.723 0.742 1.00 0.00 C ATOM 1158 CG1 ILE A 79 4.824 9.725 1.027 1.00 0.00 C ATOM 1159 CG2 ILE A 79 5.905 11.181 -0.710 1.00 0.00 C ATOM 1160 CD1 ILE A 79 3.435 10.296 0.830 1.00 0.00 C ATOM 0 H ILE A 79 6.566 9.920 3.015 1.00 0.00 H new ATOM 0 HA ILE A 79 7.450 9.202 0.448 1.00 0.00 H new ATOM 0 HB ILE A 79 5.810 11.597 1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.946 8.859 0.377 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.918 9.369 2.053 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.932 11.625 -0.921 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.687 11.921 -0.883 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.064 10.325 -1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.692 9.530 1.051 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.292 11.144 1.500 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.320 10.626 -0.203 1.00 0.00 H new ATOM 1172 N ARG A 80 8.708 11.964 1.731 1.00 0.00 N ATOM 1173 CA ARG A 80 9.780 12.947 1.602 1.00 0.00 C ATOM 1174 C ARG A 80 11.142 12.268 1.739 1.00 0.00 C ATOM 1175 O ARG A 80 12.150 12.759 1.228 1.00 0.00 O ATOM 1176 CB ARG A 80 9.636 14.042 2.665 1.00 0.00 C ATOM 1177 CG ARG A 80 8.273 14.716 2.673 1.00 0.00 C ATOM 1178 CD ARG A 80 7.971 15.408 1.353 1.00 0.00 C ATOM 1179 NE ARG A 80 6.624 15.977 1.331 1.00 0.00 N ATOM 1180 CZ ARG A 80 6.356 17.267 1.546 1.00 0.00 C ATOM 1181 NH1 ARG A 80 7.338 18.118 1.835 1.00 0.00 N ATOM 1182 NH2 ARG A 80 5.104 17.706 1.486 1.00 0.00 N ATOM 0 H ARG A 80 8.199 12.012 2.614 1.00 0.00 H new ATOM 0 HA ARG A 80 9.708 13.404 0.615 1.00 0.00 H new ATOM 0 HB2 ARG A 80 9.822 13.608 3.647 1.00 0.00 H new ATOM 0 HB3 ARG A 80 10.404 14.798 2.500 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.502 13.973 2.877 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.234 15.446 3.482 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.702 16.198 1.182 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.077 14.694 0.536 1.00 0.00 H new ATOM 0 HE ARG A 80 5.842 15.350 1.140 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.301 17.785 1.893 1.00 0.00 H new ATOM 0 HH12 ARG A 80 7.128 19.103 1.998 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.346 17.057 1.275 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.901 18.692 1.651 1.00 0.00 H new ATOM 1196 N ALA A 81 11.157 11.131 2.429 1.00 0.00 N ATOM 1197 CA ALA A 81 12.384 10.369 2.636 1.00 0.00 C ATOM 1198 C ALA A 81 12.727 9.551 1.400 1.00 0.00 C ATOM 1199 O ALA A 81 13.854 9.077 1.246 1.00 0.00 O ATOM 1200 CB ALA A 81 12.248 9.465 3.852 1.00 0.00 C ATOM 0 H ALA A 81 10.329 10.716 2.856 1.00 0.00 H new ATOM 0 HA ALA A 81 13.197 11.072 2.815 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.171 8.903 3.993 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.054 10.072 4.736 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.421 8.771 3.699 1.00 0.00 H new ATOM 1206 N ALA A 82 11.747 9.380 0.525 1.00 0.00 N ATOM 1207 CA ALA A 82 11.961 8.694 -0.733 1.00 0.00 C ATOM 1208 C ALA A 82 12.790 9.561 -1.668 1.00 0.00 C ATOM 1209 O ALA A 82 12.416 10.698 -1.976 1.00 0.00 O ATOM 1210 CB ALA A 82 10.631 8.335 -1.374 1.00 0.00 C ATOM 0 H ALA A 82 10.792 9.710 0.668 1.00 0.00 H new ATOM 0 HA ALA A 82 12.508 7.771 -0.541 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.809 7.820 -2.318 1.00 0.00 H new ATOM 0 HB2 ALA A 82 10.069 7.683 -0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.059 9.244 -1.559 1.00 0.00 H new ATOM 1216 N LEU A 83 13.918 9.010 -2.101 1.00 0.00 N ATOM 1217 CA LEU A 83 14.871 9.728 -2.942 1.00 0.00 C ATOM 1218 C LEU A 83 14.258 10.104 -4.286 1.00 0.00 C ATOM 1219 O LEU A 83 13.762 11.215 -4.472 1.00 0.00 O ATOM 1220 CB LEU A 83 16.131 8.878 -3.173 1.00 0.00 C ATOM 1221 CG LEU A 83 17.137 8.830 -2.014 1.00 0.00 C ATOM 1222 CD1 LEU A 83 16.531 8.185 -0.776 1.00 0.00 C ATOM 1223 CD2 LEU A 83 18.386 8.077 -2.435 1.00 0.00 C ATOM 0 H LEU A 83 14.198 8.055 -1.880 1.00 0.00 H new ATOM 0 HA LEU A 83 15.141 10.645 -2.418 1.00 0.00 H new ATOM 0 HB2 LEU A 83 15.820 7.858 -3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 83 16.644 9.258 -4.057 1.00 0.00 H new ATOM 0 HG LEU A 83 17.403 9.856 -1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 83 17.271 8.168 0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 83 15.662 8.759 -0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 83 16.225 7.165 -1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 83 19.092 8.050 -1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 83 18.119 7.059 -2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 83 18.845 8.581 -3.285 1.00 0.00 H new ATOM 1235 N ASN A 84 14.286 9.168 -5.216 1.00 0.00 N ATOM 1236 CA ASN A 84 13.777 9.405 -6.558 1.00 0.00 C ATOM 1237 C ASN A 84 12.540 8.565 -6.823 1.00 0.00 C ATOM 1238 O ASN A 84 11.835 8.778 -7.809 1.00 0.00 O ATOM 1239 CB ASN A 84 14.864 9.100 -7.595 1.00 0.00 C ATOM 1240 CG ASN A 84 15.506 7.740 -7.384 1.00 0.00 C ATOM 1241 OD1 ASN A 84 16.446 7.607 -6.600 1.00 0.00 O ATOM 1242 ND2 ASN A 84 15.024 6.726 -8.084 1.00 0.00 N ATOM 0 H ASN A 84 14.658 8.230 -5.067 1.00 0.00 H new ATOM 0 HA ASN A 84 13.497 10.455 -6.640 1.00 0.00 H new ATOM 0 HB2 ASN A 84 14.430 9.142 -8.594 1.00 0.00 H new ATOM 0 HB3 ASN A 84 15.632 9.872 -7.549 1.00 0.00 H new ATOM 0 HD21 ASN A 84 15.432 5.797 -7.983 1.00 0.00 H new ATOM 0 HD22 ASN A 84 14.244 6.873 -8.724 1.00 0.00 H new ATOM 1249 N ALA A 85 12.282 7.613 -5.940 1.00 0.00 N ATOM 1250 CA ALA A 85 11.135 6.738 -6.069 1.00 0.00 C ATOM 1251 C ALA A 85 10.677 6.255 -4.699 1.00 0.00 C ATOM 1252 O ALA A 85 11.497 6.055 -3.799 1.00 0.00 O ATOM 1253 CB ALA A 85 11.467 5.560 -6.973 1.00 0.00 C ATOM 0 H ALA A 85 12.860 7.428 -5.120 1.00 0.00 H new ATOM 0 HA ALA A 85 10.318 7.299 -6.523 1.00 0.00 H new ATOM 0 HB1 ALA A 85 10.595 4.911 -7.060 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.747 5.927 -7.961 1.00 0.00 H new ATOM 0 HB3 ALA A 85 12.297 4.997 -6.547 1.00 0.00 H new ATOM 1259 N VAL A 86 9.378 6.076 -4.547 1.00 0.00 N ATOM 1260 CA VAL A 86 8.807 5.588 -3.303 1.00 0.00 C ATOM 1261 C VAL A 86 8.175 4.218 -3.544 1.00 0.00 C ATOM 1262 O VAL A 86 7.650 3.947 -4.627 1.00 0.00 O ATOM 1263 CB VAL A 86 7.751 6.573 -2.740 1.00 0.00 C ATOM 1264 CG1 VAL A 86 6.531 6.645 -3.642 1.00 0.00 C ATOM 1265 CG2 VAL A 86 7.353 6.204 -1.321 1.00 0.00 C ATOM 0 H VAL A 86 8.691 6.263 -5.277 1.00 0.00 H new ATOM 0 HA VAL A 86 9.604 5.503 -2.564 1.00 0.00 H new ATOM 0 HB VAL A 86 8.208 7.562 -2.713 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.808 7.344 -3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.831 6.986 -4.633 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.078 5.657 -3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.611 6.914 -0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 86 6.930 5.200 -1.311 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.232 6.233 -0.677 1.00 0.00 H new ATOM 1275 N ARG A 87 8.261 3.345 -2.557 1.00 0.00 N ATOM 1276 CA ARG A 87 7.686 2.016 -2.673 1.00 0.00 C ATOM 1277 C ARG A 87 6.477 1.887 -1.763 1.00 0.00 C ATOM 1278 O ARG A 87 6.605 1.916 -0.543 1.00 0.00 O ATOM 1279 CB ARG A 87 8.731 0.952 -2.335 1.00 0.00 C ATOM 1280 CG ARG A 87 9.943 0.998 -3.249 1.00 0.00 C ATOM 1281 CD ARG A 87 10.947 -0.086 -2.909 1.00 0.00 C ATOM 1282 NE ARG A 87 12.118 -0.031 -3.786 1.00 0.00 N ATOM 1283 CZ ARG A 87 12.925 -1.066 -4.027 1.00 0.00 C ATOM 1284 NH1 ARG A 87 12.747 -2.222 -3.397 1.00 0.00 N ATOM 1285 NH2 ARG A 87 13.934 -0.931 -4.880 1.00 0.00 N ATOM 0 H ARG A 87 8.723 3.531 -1.667 1.00 0.00 H new ATOM 0 HA ARG A 87 7.362 1.863 -3.702 1.00 0.00 H new ATOM 0 HB2 ARG A 87 9.056 1.085 -1.303 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.271 -0.034 -2.400 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.622 0.884 -4.284 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.421 1.974 -3.169 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.263 0.023 -1.872 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.472 -1.063 -2.997 1.00 0.00 H new ATOM 0 HE ARG A 87 12.331 0.856 -4.242 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.988 -2.324 -2.723 1.00 0.00 H new ATOM 0 HH12 ARG A 87 13.369 -3.008 -3.588 1.00 0.00 H new ATOM 0 HH21 ARG A 87 14.090 -0.038 -5.348 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.553 -1.720 -5.067 1.00 0.00 H new ATOM 1299 N LEU A 88 5.312 1.753 -2.362 1.00 0.00 N ATOM 1300 CA LEU A 88 4.067 1.710 -1.611 1.00 0.00 C ATOM 1301 C LEU A 88 3.396 0.353 -1.770 1.00 0.00 C ATOM 1302 O LEU A 88 3.122 -0.079 -2.884 1.00 0.00 O ATOM 1303 CB LEU A 88 3.116 2.812 -2.090 1.00 0.00 C ATOM 1304 CG LEU A 88 3.665 4.238 -2.015 1.00 0.00 C ATOM 1305 CD1 LEU A 88 2.666 5.218 -2.605 1.00 0.00 C ATOM 1306 CD2 LEU A 88 3.987 4.611 -0.577 1.00 0.00 C ATOM 0 H LEU A 88 5.197 1.671 -3.372 1.00 0.00 H new ATOM 0 HA LEU A 88 4.299 1.871 -0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.837 2.603 -3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.203 2.762 -1.497 1.00 0.00 H new ATOM 0 HG LEU A 88 4.586 4.285 -2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.069 6.229 -2.545 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.479 4.963 -3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.732 5.166 -2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.376 5.629 -0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.081 4.549 0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.735 3.923 -0.181 1.00 0.00 H new ATOM 1318 N LEU A 89 3.147 -0.320 -0.660 1.00 0.00 N ATOM 1319 CA LEU A 89 2.469 -1.608 -0.690 1.00 0.00 C ATOM 1320 C LEU A 89 0.980 -1.402 -0.451 1.00 0.00 C ATOM 1321 O LEU A 89 0.580 -0.944 0.620 1.00 0.00 O ATOM 1322 CB LEU A 89 3.041 -2.532 0.385 1.00 0.00 C ATOM 1323 CG LEU A 89 2.462 -3.947 0.406 1.00 0.00 C ATOM 1324 CD1 LEU A 89 3.042 -4.792 -0.716 1.00 0.00 C ATOM 1325 CD2 LEU A 89 2.722 -4.603 1.743 1.00 0.00 C ATOM 0 H LEU A 89 3.403 0.002 0.273 1.00 0.00 H new ATOM 0 HA LEU A 89 2.622 -2.068 -1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.120 -2.601 0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.874 -2.074 1.360 1.00 0.00 H new ATOM 0 HG LEU A 89 1.385 -3.872 0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.613 -5.793 -0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.806 -4.333 -1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.124 -4.857 -0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.304 -5.610 1.742 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.796 -4.657 1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.254 -4.016 2.533 1.00 0.00 H new ATOM 1337 N VAL A 90 0.160 -1.734 -1.439 1.00 0.00 N ATOM 1338 CA VAL A 90 -1.274 -1.501 -1.332 1.00 0.00 C ATOM 1339 C VAL A 90 -2.076 -2.750 -1.684 1.00 0.00 C ATOM 1340 O VAL A 90 -1.606 -3.618 -2.422 1.00 0.00 O ATOM 1341 CB VAL A 90 -1.729 -0.327 -2.228 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -1.059 0.970 -1.798 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -1.452 -0.616 -3.698 1.00 0.00 C ATOM 0 H VAL A 90 0.459 -2.161 -2.316 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.467 -1.243 -0.291 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.806 -0.213 -2.108 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.393 1.783 -2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.326 1.192 -0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.023 0.865 -1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.783 0.228 -4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.383 -0.770 -3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.992 -1.513 -4.000 1.00 0.00 H new ATOM 1353 N VAL A 91 -3.285 -2.832 -1.143 1.00 0.00 N ATOM 1354 CA VAL A 91 -4.156 -3.983 -1.349 1.00 0.00 C ATOM 1355 C VAL A 91 -5.624 -3.533 -1.423 1.00 0.00 C ATOM 1356 O VAL A 91 -6.011 -2.561 -0.773 1.00 0.00 O ATOM 1357 CB VAL A 91 -3.969 -5.019 -0.206 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -4.291 -4.399 1.141 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -4.818 -6.261 -0.444 1.00 0.00 C ATOM 0 H VAL A 91 -3.689 -2.106 -0.551 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.886 -4.456 -2.293 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.923 -5.325 -0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.153 -5.143 1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.626 -3.554 1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.325 -4.055 1.145 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.666 -6.967 0.372 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.870 -5.979 -0.489 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.526 -6.726 -1.386 1.00 0.00 H new ATOM 1369 N ASP A 92 -6.423 -4.221 -2.246 1.00 0.00 N ATOM 1370 CA ASP A 92 -7.862 -3.944 -2.350 1.00 0.00 C ATOM 1371 C ASP A 92 -8.572 -4.283 -1.042 1.00 0.00 C ATOM 1372 O ASP A 92 -8.380 -5.364 -0.496 1.00 0.00 O ATOM 1373 CB ASP A 92 -8.494 -4.756 -3.488 1.00 0.00 C ATOM 1374 CG ASP A 92 -8.497 -4.026 -4.817 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -9.480 -3.309 -5.103 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -7.537 -4.185 -5.594 1.00 0.00 O ATOM 0 H ASP A 92 -6.098 -4.975 -2.851 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.978 -2.881 -2.560 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.952 -5.695 -3.599 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -9.519 -5.009 -3.218 1.00 0.00 H new ATOM 1381 N PRO A 93 -9.437 -3.368 -0.558 1.00 0.00 N ATOM 1382 CA PRO A 93 -10.063 -3.458 0.775 1.00 0.00 C ATOM 1383 C PRO A 93 -10.902 -4.714 0.975 1.00 0.00 C ATOM 1384 O PRO A 93 -11.063 -5.186 2.100 1.00 0.00 O ATOM 1385 CB PRO A 93 -10.961 -2.216 0.846 1.00 0.00 C ATOM 1386 CG PRO A 93 -10.433 -1.295 -0.193 1.00 0.00 C ATOM 1387 CD PRO A 93 -9.886 -2.171 -1.282 1.00 0.00 C ATOM 0 HA PRO A 93 -9.301 -3.507 1.553 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.003 -2.472 0.653 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -10.923 -1.758 1.834 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.220 -0.644 -0.574 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.656 -0.650 0.216 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.646 -2.412 -2.025 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.064 -1.689 -1.812 1.00 0.00 H new ATOM 1395 N GLU A 94 -11.453 -5.248 -0.107 1.00 0.00 N ATOM 1396 CA GLU A 94 -12.246 -6.466 -0.026 1.00 0.00 C ATOM 1397 C GLU A 94 -11.351 -7.643 0.346 1.00 0.00 C ATOM 1398 O GLU A 94 -11.657 -8.412 1.258 1.00 0.00 O ATOM 1399 CB GLU A 94 -12.964 -6.745 -1.351 1.00 0.00 C ATOM 1400 CG GLU A 94 -14.126 -5.802 -1.648 1.00 0.00 C ATOM 1401 CD GLU A 94 -13.701 -4.356 -1.812 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -13.176 -4.004 -2.889 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -13.882 -3.568 -0.863 1.00 0.00 O ATOM 0 H GLU A 94 -11.366 -4.859 -1.046 1.00 0.00 H new ATOM 0 HA GLU A 94 -13.004 -6.332 0.746 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -12.241 -6.678 -2.164 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -13.337 -7.769 -1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -14.628 -6.131 -2.558 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -14.855 -5.869 -0.840 1.00 0.00 H new ATOM 1410 N THR A 95 -10.232 -7.758 -0.354 1.00 0.00 N ATOM 1411 CA THR A 95 -9.251 -8.786 -0.065 1.00 0.00 C ATOM 1412 C THR A 95 -8.524 -8.471 1.237 1.00 0.00 C ATOM 1413 O THR A 95 -8.226 -9.359 2.032 1.00 0.00 O ATOM 1414 CB THR A 95 -8.221 -8.898 -1.199 1.00 0.00 C ATOM 1415 OG1 THR A 95 -8.897 -8.956 -2.463 1.00 0.00 O ATOM 1416 CG2 THR A 95 -7.365 -10.140 -1.018 1.00 0.00 C ATOM 0 H THR A 95 -9.983 -7.146 -1.131 1.00 0.00 H new ATOM 0 HA THR A 95 -9.781 -9.734 0.029 1.00 0.00 H new ATOM 0 HB THR A 95 -7.575 -8.021 -1.173 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.237 -9.026 -3.184 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.641 -10.204 -1.830 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.838 -10.083 -0.065 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.001 -11.025 -1.029 1.00 0.00 H new ATOM 1424 N ASP A 96 -8.274 -7.188 1.446 1.00 0.00 N ATOM 1425 CA ASP A 96 -7.539 -6.704 2.606 1.00 0.00 C ATOM 1426 C ASP A 96 -8.196 -7.136 3.904 1.00 0.00 C ATOM 1427 O ASP A 96 -7.539 -7.669 4.798 1.00 0.00 O ATOM 1428 CB ASP A 96 -7.494 -5.178 2.544 1.00 0.00 C ATOM 1429 CG ASP A 96 -7.106 -4.527 3.853 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -8.011 -4.223 4.657 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -5.905 -4.276 4.063 1.00 0.00 O ATOM 0 H ASP A 96 -8.577 -6.448 0.812 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.534 -7.126 2.586 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -6.785 -4.875 1.774 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.473 -4.807 2.240 1.00 0.00 H new ATOM 1436 N GLU A 97 -9.502 -6.957 3.988 1.00 0.00 N ATOM 1437 CA GLU A 97 -10.205 -7.259 5.211 1.00 0.00 C ATOM 1438 C GLU A 97 -10.305 -8.763 5.427 1.00 0.00 C ATOM 1439 O GLU A 97 -10.158 -9.239 6.546 1.00 0.00 O ATOM 1440 CB GLU A 97 -11.595 -6.636 5.225 1.00 0.00 C ATOM 1441 CG GLU A 97 -12.241 -6.717 6.596 1.00 0.00 C ATOM 1442 CD GLU A 97 -13.693 -6.315 6.601 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -13.984 -5.115 6.411 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -14.547 -7.197 6.833 1.00 0.00 O ATOM 0 H GLU A 97 -10.088 -6.607 3.230 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.629 -6.826 6.029 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -11.528 -5.593 4.917 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -12.227 -7.143 4.496 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -12.153 -7.737 6.970 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.692 -6.076 7.286 1.00 0.00 H new ATOM 1451 N GLN A 98 -10.539 -9.515 4.361 1.00 0.00 N ATOM 1452 CA GLN A 98 -10.679 -10.959 4.491 1.00 0.00 C ATOM 1453 C GLN A 98 -9.339 -11.598 4.846 1.00 0.00 C ATOM 1454 O GLN A 98 -9.285 -12.524 5.655 1.00 0.00 O ATOM 1455 CB GLN A 98 -11.271 -11.589 3.225 1.00 0.00 C ATOM 1456 CG GLN A 98 -10.380 -11.509 2.002 1.00 0.00 C ATOM 1457 CD GLN A 98 -10.986 -12.204 0.805 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -11.696 -11.591 0.011 1.00 0.00 O ATOM 1459 NE2 GLN A 98 -10.722 -13.495 0.673 1.00 0.00 N ATOM 0 H GLN A 98 -10.635 -9.157 3.411 1.00 0.00 H new ATOM 0 HA GLN A 98 -11.379 -11.152 5.304 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -11.494 -12.637 3.427 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -12.218 -11.099 3.000 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -10.196 -10.463 1.757 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -9.413 -11.958 2.229 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -10.127 -13.966 1.355 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -11.113 -14.018 -0.110 1.00 0.00 H new ATOM 1468 N LEU A 99 -8.257 -11.093 4.255 1.00 0.00 N ATOM 1469 CA LEU A 99 -6.928 -11.622 4.531 1.00 0.00 C ATOM 1470 C LEU A 99 -6.494 -11.293 5.960 1.00 0.00 C ATOM 1471 O LEU A 99 -5.895 -12.125 6.635 1.00 0.00 O ATOM 1472 CB LEU A 99 -5.891 -11.090 3.537 1.00 0.00 C ATOM 1473 CG LEU A 99 -6.082 -11.530 2.079 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -4.899 -11.082 1.234 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -6.268 -13.041 1.983 1.00 0.00 C ATOM 0 H LEU A 99 -8.277 -10.323 3.586 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.985 -12.705 4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.905 -10.001 3.574 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.902 -11.408 3.867 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.985 -11.056 1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.047 -11.401 0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.817 -9.996 1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.984 -11.528 1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.401 -13.326 0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.388 -13.542 2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.148 -13.336 2.555 1.00 0.00 H new ATOM 1487 N GLN A 100 -6.819 -10.084 6.427 1.00 0.00 N ATOM 1488 CA GLN A 100 -6.424 -9.651 7.769 1.00 0.00 C ATOM 1489 C GLN A 100 -7.129 -10.478 8.846 1.00 0.00 C ATOM 1490 O GLN A 100 -6.565 -10.719 9.916 1.00 0.00 O ATOM 1491 CB GLN A 100 -6.674 -8.150 7.992 1.00 0.00 C ATOM 1492 CG GLN A 100 -8.137 -7.757 8.100 1.00 0.00 C ATOM 1493 CD GLN A 100 -8.329 -6.302 8.482 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -7.509 -5.445 8.162 1.00 0.00 O ATOM 1495 NE2 GLN A 100 -9.415 -6.015 9.183 1.00 0.00 N ATOM 0 H GLN A 100 -7.351 -9.392 5.899 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.350 -9.819 7.850 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -6.161 -7.842 8.903 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -6.223 -7.595 7.170 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.630 -7.945 7.146 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -8.624 -8.390 8.842 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.073 -6.754 9.430 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.594 -5.055 9.476 1.00 0.00 H new ATOM 1504 N LYS A 101 -8.369 -10.903 8.569 1.00 0.00 N ATOM 1505 CA LYS A 101 -9.108 -11.765 9.496 1.00 0.00 C ATOM 1506 C LYS A 101 -8.300 -13.032 9.761 1.00 0.00 C ATOM 1507 O LYS A 101 -8.298 -13.572 10.867 1.00 0.00 O ATOM 1508 CB LYS A 101 -10.475 -12.163 8.918 1.00 0.00 C ATOM 1509 CG LYS A 101 -11.359 -10.998 8.502 1.00 0.00 C ATOM 1510 CD LYS A 101 -11.844 -10.179 9.686 1.00 0.00 C ATOM 1511 CE LYS A 101 -12.621 -8.953 9.224 1.00 0.00 C ATOM 1512 NZ LYS A 101 -13.867 -9.303 8.484 1.00 0.00 N ATOM 0 H LYS A 101 -8.877 -10.665 7.717 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.268 -11.210 10.420 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.314 -12.805 8.052 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.008 -12.757 9.660 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.805 -10.352 7.821 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -12.219 -11.378 7.952 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.477 -10.796 10.324 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.992 -9.867 10.290 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.878 -8.344 10.090 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.983 -8.344 8.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.310 -8.435 8.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.634 -9.931 7.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.527 -9.787 9.125 1.00 0.00 H new ATOM 1526 N LEU A 102 -7.608 -13.485 8.725 1.00 0.00 N ATOM 1527 CA LEU A 102 -6.753 -14.657 8.808 1.00 0.00 C ATOM 1528 C LEU A 102 -5.415 -14.275 9.439 1.00 0.00 C ATOM 1529 O LEU A 102 -5.000 -14.838 10.453 1.00 0.00 O ATOM 1530 CB LEU A 102 -6.519 -15.215 7.401 1.00 0.00 C ATOM 1531 CG LEU A 102 -7.782 -15.408 6.558 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -7.423 -15.585 5.090 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -8.582 -16.601 7.059 1.00 0.00 C ATOM 0 H LEU A 102 -7.625 -13.049 7.803 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.235 -15.415 9.425 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -5.845 -14.544 6.869 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -6.010 -16.175 7.488 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.399 -14.515 6.656 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.334 -15.721 4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.894 -14.701 4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.784 -16.461 4.975 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -9.476 -16.722 6.447 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.972 -17.502 6.993 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.872 -16.435 8.097 1.00 0.00 H new ATOM 1545 N GLY A 103 -4.767 -13.290 8.835 1.00 0.00 N ATOM 1546 CA GLY A 103 -3.466 -12.843 9.283 1.00 0.00 C ATOM 1547 C GLY A 103 -2.603 -12.440 8.109 1.00 0.00 C ATOM 1548 O GLY A 103 -2.860 -11.416 7.474 1.00 0.00 O ATOM 0 H GLY A 103 -5.129 -12.784 8.027 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.581 -11.998 9.963 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.976 -13.639 9.844 1.00 0.00 H new ATOM 1552 N VAL A 104 -1.601 -13.268 7.815 1.00 0.00 N ATOM 1553 CA VAL A 104 -0.748 -13.103 6.642 1.00 0.00 C ATOM 1554 C VAL A 104 0.156 -11.870 6.741 1.00 0.00 C ATOM 1555 O VAL A 104 -0.306 -10.748 6.948 1.00 0.00 O ATOM 1556 CB VAL A 104 -1.598 -13.021 5.360 1.00 0.00 C ATOM 1557 CG1 VAL A 104 -0.735 -12.713 4.149 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -2.378 -14.310 5.145 1.00 0.00 C ATOM 0 H VAL A 104 -1.358 -14.076 8.388 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.104 -13.981 6.600 1.00 0.00 H new ATOM 0 HB VAL A 104 -2.309 -12.205 5.485 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.362 -12.661 3.259 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -0.232 -11.757 4.294 1.00 0.00 H new ATOM 0 HG13 VAL A 104 0.009 -13.499 4.023 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -2.971 -14.229 4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -1.683 -15.145 5.053 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -3.039 -14.481 5.994 1.00 0.00 H new ATOM 1568 N GLN A 105 1.455 -12.080 6.582 1.00 0.00 N ATOM 1569 CA GLN A 105 2.403 -10.976 6.577 1.00 0.00 C ATOM 1570 C GLN A 105 2.473 -10.357 5.184 1.00 0.00 C ATOM 1571 O GLN A 105 3.459 -10.513 4.458 1.00 0.00 O ATOM 1572 CB GLN A 105 3.786 -11.435 7.044 1.00 0.00 C ATOM 1573 CG GLN A 105 3.773 -12.072 8.426 1.00 0.00 C ATOM 1574 CD GLN A 105 5.146 -12.117 9.065 1.00 0.00 C ATOM 1575 OE1 GLN A 105 6.166 -12.172 8.380 1.00 0.00 O ATOM 1576 NE2 GLN A 105 5.184 -12.088 10.387 1.00 0.00 N ATOM 0 H GLN A 105 1.875 -13.001 6.455 1.00 0.00 H new ATOM 0 HA GLN A 105 2.057 -10.217 7.279 1.00 0.00 H new ATOM 0 HB2 GLN A 105 4.186 -12.150 6.325 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.462 -10.580 7.052 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.095 -11.514 9.072 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.379 -13.086 8.350 1.00 0.00 H new ATOM 0 HE21 GLN A 105 4.316 -12.042 10.921 1.00 0.00 H new ATOM 0 HE22 GLN A 105 6.081 -12.111 10.872 1.00 0.00 H new ATOM 1585 N VAL A 106 1.401 -9.653 4.831 1.00 0.00 N ATOM 1586 CA VAL A 106 1.252 -9.020 3.521 1.00 0.00 C ATOM 1587 C VAL A 106 2.405 -8.066 3.199 1.00 0.00 C ATOM 1588 O VAL A 106 2.730 -7.861 2.029 1.00 0.00 O ATOM 1589 CB VAL A 106 -0.116 -8.277 3.439 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -0.090 -7.091 2.475 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -1.215 -9.250 3.036 1.00 0.00 C ATOM 0 H VAL A 106 0.604 -9.504 5.450 1.00 0.00 H new ATOM 0 HA VAL A 106 1.279 -9.811 2.771 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.319 -7.876 4.432 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.069 -6.613 2.460 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.660 -6.371 2.804 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.158 -7.442 1.473 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -2.167 -8.722 2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.982 -9.679 2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -1.285 -10.047 3.776 1.00 0.00 H new ATOM 1601 N ARG A 107 3.060 -7.542 4.233 1.00 0.00 N ATOM 1602 CA ARG A 107 4.027 -6.461 4.054 1.00 0.00 C ATOM 1603 C ARG A 107 5.206 -6.842 3.150 1.00 0.00 C ATOM 1604 O ARG A 107 5.789 -5.968 2.519 1.00 0.00 O ATOM 1605 CB ARG A 107 4.531 -5.932 5.402 1.00 0.00 C ATOM 1606 CG ARG A 107 5.387 -6.907 6.191 1.00 0.00 C ATOM 1607 CD ARG A 107 5.924 -6.258 7.460 1.00 0.00 C ATOM 1608 NE ARG A 107 6.695 -5.046 7.177 1.00 0.00 N ATOM 1609 CZ ARG A 107 7.329 -4.322 8.100 1.00 0.00 C ATOM 1610 NH1 ARG A 107 7.255 -4.651 9.386 1.00 0.00 N ATOM 1611 NH2 ARG A 107 8.018 -3.248 7.733 1.00 0.00 N ATOM 0 H ARG A 107 2.940 -7.847 5.199 1.00 0.00 H new ATOM 0 HA ARG A 107 3.487 -5.664 3.543 1.00 0.00 H new ATOM 0 HB2 ARG A 107 5.108 -5.024 5.227 1.00 0.00 H new ATOM 0 HB3 ARG A 107 3.671 -5.651 6.010 1.00 0.00 H new ATOM 0 HG2 ARG A 107 4.798 -7.787 6.449 1.00 0.00 H new ATOM 0 HG3 ARG A 107 6.218 -7.249 5.574 1.00 0.00 H new ATOM 0 HD2 ARG A 107 5.092 -6.012 8.120 1.00 0.00 H new ATOM 0 HD3 ARG A 107 6.553 -6.971 7.993 1.00 0.00 H new ATOM 0 HE ARG A 107 6.751 -4.734 6.207 1.00 0.00 H new ATOM 0 HH11 ARG A 107 6.710 -5.463 9.674 1.00 0.00 H new ATOM 0 HH12 ARG A 107 7.744 -4.091 10.085 1.00 0.00 H new ATOM 0 HH21 ARG A 107 8.060 -2.981 6.750 1.00 0.00 H new ATOM 0 HH22 ARG A 107 8.505 -2.690 8.435 1.00 0.00 H new ATOM 1625 N GLU A 108 5.559 -8.126 3.066 1.00 0.00 N ATOM 1626 CA GLU A 108 6.637 -8.519 2.154 1.00 0.00 C ATOM 1627 C GLU A 108 6.700 -10.026 1.900 1.00 0.00 C ATOM 1628 O GLU A 108 7.150 -10.443 0.837 1.00 0.00 O ATOM 1629 CB GLU A 108 8.001 -8.061 2.682 1.00 0.00 C ATOM 1630 CG GLU A 108 9.138 -8.331 1.709 1.00 0.00 C ATOM 1631 CD GLU A 108 10.503 -8.101 2.311 1.00 0.00 C ATOM 1632 OE1 GLU A 108 11.058 -9.045 2.913 1.00 0.00 O ATOM 1633 OE2 GLU A 108 11.043 -6.989 2.160 1.00 0.00 O ATOM 0 H GLU A 108 5.134 -8.887 3.596 1.00 0.00 H new ATOM 0 HA GLU A 108 6.406 -8.026 1.210 1.00 0.00 H new ATOM 0 HB2 GLU A 108 7.961 -6.993 2.897 1.00 0.00 H new ATOM 0 HB3 GLU A 108 8.208 -8.569 3.624 1.00 0.00 H new ATOM 0 HG2 GLU A 108 9.071 -9.361 1.359 1.00 0.00 H new ATOM 0 HG3 GLU A 108 9.020 -7.689 0.836 1.00 0.00 H new ATOM 1640 N GLU A 109 6.230 -10.835 2.846 1.00 0.00 N ATOM 1641 CA GLU A 109 6.488 -12.284 2.824 1.00 0.00 C ATOM 1642 C GLU A 109 6.087 -12.902 1.484 1.00 0.00 C ATOM 1643 O GLU A 109 6.843 -13.676 0.896 1.00 0.00 O ATOM 1644 CB GLU A 109 5.720 -12.961 3.968 1.00 0.00 C ATOM 1645 CG GLU A 109 6.315 -14.283 4.446 1.00 0.00 C ATOM 1646 CD GLU A 109 6.227 -15.396 3.421 1.00 0.00 C ATOM 1647 OE1 GLU A 109 5.109 -15.888 3.164 1.00 0.00 O ATOM 1648 OE2 GLU A 109 7.277 -15.794 2.875 1.00 0.00 O ATOM 0 H GLU A 109 5.670 -10.519 3.638 1.00 0.00 H new ATOM 0 HA GLU A 109 7.558 -12.443 2.957 1.00 0.00 H new ATOM 0 HB2 GLU A 109 5.674 -12.273 4.812 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.694 -13.137 3.644 1.00 0.00 H new ATOM 0 HG2 GLU A 109 7.361 -14.126 4.710 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.800 -14.596 5.354 1.00 0.00 H new ATOM 1655 N LEU A 110 4.924 -12.518 0.982 1.00 0.00 N ATOM 1656 CA LEU A 110 4.406 -13.078 -0.259 1.00 0.00 C ATOM 1657 C LEU A 110 5.236 -12.639 -1.460 1.00 0.00 C ATOM 1658 O LEU A 110 5.371 -13.374 -2.430 1.00 0.00 O ATOM 1659 CB LEU A 110 2.942 -12.678 -0.467 1.00 0.00 C ATOM 1660 CG LEU A 110 1.943 -13.267 0.536 1.00 0.00 C ATOM 1661 CD1 LEU A 110 2.149 -14.770 0.675 1.00 0.00 C ATOM 1662 CD2 LEU A 110 2.052 -12.578 1.891 1.00 0.00 C ATOM 0 H LEU A 110 4.319 -11.820 1.415 1.00 0.00 H new ATOM 0 HA LEU A 110 4.471 -14.163 -0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 110 2.872 -11.591 -0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.641 -12.979 -1.471 1.00 0.00 H new ATOM 0 HG LEU A 110 0.937 -13.091 0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.431 -15.171 1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.002 -15.249 -0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.162 -14.967 1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.332 -13.017 2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.059 -12.709 2.286 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.843 -11.514 1.776 1.00 0.00 H new ATOM 1674 N LEU A 111 5.803 -11.447 -1.384 1.00 0.00 N ATOM 1675 CA LEU A 111 6.582 -10.905 -2.491 1.00 0.00 C ATOM 1676 C LEU A 111 8.024 -11.397 -2.408 1.00 0.00 C ATOM 1677 O LEU A 111 8.694 -11.587 -3.422 1.00 0.00 O ATOM 1678 CB LEU A 111 6.554 -9.370 -2.479 1.00 0.00 C ATOM 1679 CG LEU A 111 5.161 -8.726 -2.491 1.00 0.00 C ATOM 1680 CD1 LEU A 111 4.599 -8.596 -1.079 1.00 0.00 C ATOM 1681 CD2 LEU A 111 5.212 -7.372 -3.172 1.00 0.00 C ATOM 0 H LEU A 111 5.740 -10.835 -0.570 1.00 0.00 H new ATOM 0 HA LEU A 111 6.136 -11.252 -3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 111 7.086 -9.023 -1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 111 7.108 -9.009 -3.346 1.00 0.00 H new ATOM 0 HG LEU A 111 4.493 -9.377 -3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 111 3.612 -8.136 -1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 111 4.520 -9.584 -0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 111 5.263 -7.974 -0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.217 -6.927 -3.173 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.900 -6.720 -2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 111 5.556 -7.494 -4.199 1.00 0.00 H new ATOM 1693 N ARG A 112 8.479 -11.607 -1.181 1.00 0.00 N ATOM 1694 CA ARG A 112 9.841 -12.038 -0.899 1.00 0.00 C ATOM 1695 C ARG A 112 10.172 -13.360 -1.591 1.00 0.00 C ATOM 1696 O ARG A 112 11.075 -13.431 -2.423 1.00 0.00 O ATOM 1697 CB ARG A 112 10.015 -12.190 0.614 1.00 0.00 C ATOM 1698 CG ARG A 112 11.377 -12.711 1.041 1.00 0.00 C ATOM 1699 CD ARG A 112 12.439 -11.625 1.025 1.00 0.00 C ATOM 1700 NE ARG A 112 12.726 -11.129 -0.320 1.00 0.00 N ATOM 1701 CZ ARG A 112 12.917 -9.843 -0.607 1.00 0.00 C ATOM 1702 NH1 ARG A 112 12.793 -8.922 0.341 1.00 0.00 N ATOM 1703 NH2 ARG A 112 13.219 -9.477 -1.845 1.00 0.00 N ATOM 0 H ARG A 112 7.908 -11.482 -0.345 1.00 0.00 H new ATOM 0 HA ARG A 112 10.525 -11.283 -1.286 1.00 0.00 H new ATOM 0 HB2 ARG A 112 9.846 -11.222 1.086 1.00 0.00 H new ATOM 0 HB3 ARG A 112 9.247 -12.866 0.989 1.00 0.00 H new ATOM 0 HG2 ARG A 112 11.305 -13.131 2.044 1.00 0.00 H new ATOM 0 HG3 ARG A 112 11.678 -13.521 0.377 1.00 0.00 H new ATOM 0 HD2 ARG A 112 12.112 -10.795 1.651 1.00 0.00 H new ATOM 0 HD3 ARG A 112 13.356 -12.014 1.466 1.00 0.00 H new ATOM 0 HE ARG A 112 12.783 -11.806 -1.081 1.00 0.00 H new ATOM 0 HH11 ARG A 112 12.551 -9.199 1.292 1.00 0.00 H new ATOM 0 HH12 ARG A 112 12.940 -7.938 0.118 1.00 0.00 H new ATOM 0 HH21 ARG A 112 13.305 -10.181 -2.578 1.00 0.00 H new ATOM 0 HH22 ARG A 112 13.365 -8.492 -2.064 1.00 0.00 H new ATOM 1717 N ALA A 113 9.430 -14.396 -1.245 1.00 0.00 N ATOM 1718 CA ALA A 113 9.734 -15.743 -1.710 1.00 0.00 C ATOM 1719 C ALA A 113 9.274 -15.993 -3.146 1.00 0.00 C ATOM 1720 O ALA A 113 9.551 -17.052 -3.708 1.00 0.00 O ATOM 1721 CB ALA A 113 9.112 -16.767 -0.773 1.00 0.00 C ATOM 0 H ALA A 113 8.610 -14.333 -0.642 1.00 0.00 H new ATOM 0 HA ALA A 113 10.819 -15.847 -1.705 1.00 0.00 H new ATOM 0 HB1 ALA A 113 9.343 -17.772 -1.127 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.515 -16.634 0.231 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.031 -16.630 -0.751 1.00 0.00 H new ATOM 1727 N GLN A 114 8.590 -15.028 -3.751 1.00 0.00 N ATOM 1728 CA GLN A 114 8.049 -15.226 -5.095 1.00 0.00 C ATOM 1729 C GLN A 114 8.905 -14.569 -6.174 1.00 0.00 C ATOM 1730 O GLN A 114 8.474 -14.448 -7.322 1.00 0.00 O ATOM 1731 CB GLN A 114 6.613 -14.712 -5.195 1.00 0.00 C ATOM 1732 CG GLN A 114 5.595 -15.616 -4.524 1.00 0.00 C ATOM 1733 CD GLN A 114 4.168 -15.159 -4.753 1.00 0.00 C ATOM 1734 OE1 GLN A 114 3.844 -14.566 -5.781 1.00 0.00 O ATOM 1735 NE2 GLN A 114 3.301 -15.441 -3.798 1.00 0.00 N ATOM 0 H GLN A 114 8.398 -14.114 -3.342 1.00 0.00 H new ATOM 0 HA GLN A 114 8.059 -16.302 -5.270 1.00 0.00 H new ATOM 0 HB2 GLN A 114 6.559 -13.721 -4.745 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.349 -14.599 -6.246 1.00 0.00 H new ATOM 0 HG2 GLN A 114 5.712 -16.632 -4.902 1.00 0.00 H new ATOM 0 HG3 GLN A 114 5.794 -15.649 -3.453 1.00 0.00 H new ATOM 0 HE21 GLN A 114 3.608 -15.934 -2.960 1.00 0.00 H new ATOM 0 HE22 GLN A 114 2.324 -15.165 -3.898 1.00 0.00 H new ATOM 1744 N GLU A 115 10.114 -14.149 -5.829 1.00 0.00 N ATOM 1745 CA GLU A 115 11.010 -13.585 -6.830 1.00 0.00 C ATOM 1746 C GLU A 115 11.813 -14.689 -7.510 1.00 0.00 C ATOM 1747 O GLU A 115 13.046 -14.684 -7.510 1.00 0.00 O ATOM 1748 CB GLU A 115 11.938 -12.524 -6.224 1.00 0.00 C ATOM 1749 CG GLU A 115 12.788 -13.013 -5.065 1.00 0.00 C ATOM 1750 CD GLU A 115 13.866 -12.019 -4.695 1.00 0.00 C ATOM 1751 OE1 GLU A 115 14.963 -12.083 -5.289 1.00 0.00 O ATOM 1752 OE2 GLU A 115 13.616 -11.160 -3.828 1.00 0.00 O ATOM 0 H GLU A 115 10.492 -14.186 -4.883 1.00 0.00 H new ATOM 0 HA GLU A 115 10.398 -13.088 -7.583 1.00 0.00 H new ATOM 0 HB2 GLU A 115 12.597 -12.147 -7.006 1.00 0.00 H new ATOM 0 HB3 GLU A 115 11.333 -11.683 -5.884 1.00 0.00 H new ATOM 0 HG2 GLU A 115 12.151 -13.196 -4.200 1.00 0.00 H new ATOM 0 HG3 GLU A 115 13.248 -13.965 -5.329 1.00 0.00 H new ATOM 1759 N ALA A 116 11.099 -15.633 -8.103 1.00 0.00 N ATOM 1760 CA ALA A 116 11.722 -16.766 -8.762 1.00 0.00 C ATOM 1761 C ALA A 116 10.743 -17.445 -9.712 1.00 0.00 C ATOM 1762 O ALA A 116 9.878 -18.207 -9.285 1.00 0.00 O ATOM 1763 CB ALA A 116 12.225 -17.755 -7.727 1.00 0.00 C ATOM 0 H ALA A 116 10.080 -15.635 -8.140 1.00 0.00 H new ATOM 0 HA ALA A 116 12.567 -16.404 -9.348 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.691 -18.602 -8.230 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.957 -17.267 -7.083 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.388 -18.107 -7.123 1.00 0.00 H new ATOM 1769 N PRO A 117 10.853 -17.159 -11.013 1.00 0.00 N ATOM 1770 CA PRO A 117 10.001 -17.768 -12.030 1.00 0.00 C ATOM 1771 C PRO A 117 10.532 -19.125 -12.486 1.00 0.00 C ATOM 1772 O PRO A 117 11.632 -19.529 -12.107 1.00 0.00 O ATOM 1773 CB PRO A 117 10.074 -16.753 -13.166 1.00 0.00 C ATOM 1774 CG PRO A 117 11.452 -16.191 -13.068 1.00 0.00 C ATOM 1775 CD PRO A 117 11.820 -16.213 -11.603 1.00 0.00 C ATOM 0 HA PRO A 117 8.991 -17.968 -11.672 1.00 0.00 H new ATOM 0 HB2 PRO A 117 9.905 -17.226 -14.134 1.00 0.00 H new ATOM 0 HB3 PRO A 117 9.318 -15.976 -13.054 1.00 0.00 H new ATOM 0 HG2 PRO A 117 12.155 -16.783 -13.654 1.00 0.00 H new ATOM 0 HG3 PRO A 117 11.486 -15.175 -13.461 1.00 0.00 H new ATOM 0 HD2 PRO A 117 12.847 -16.545 -11.453 1.00 0.00 H new ATOM 0 HD3 PRO A 117 11.736 -15.223 -11.154 1.00 0.00 H new ATOM 1783 N GLY A 118 9.754 -19.826 -13.296 1.00 0.00 N ATOM 1784 CA GLY A 118 10.204 -21.094 -13.832 1.00 0.00 C ATOM 1785 C GLY A 118 9.189 -22.200 -13.650 1.00 0.00 C ATOM 1786 O GLY A 118 9.285 -23.241 -14.301 1.00 0.00 O ATOM 0 H GLY A 118 8.820 -19.541 -13.592 1.00 0.00 H new ATOM 0 HA2 GLY A 118 10.422 -20.978 -14.894 1.00 0.00 H new ATOM 0 HA3 GLY A 118 11.136 -21.379 -13.345 1.00 0.00 H new ATOM 1790 N GLN A 119 8.228 -21.976 -12.748 1.00 0.00 N ATOM 1791 CA GLN A 119 7.155 -22.938 -12.461 1.00 0.00 C ATOM 1792 C GLN A 119 7.668 -24.128 -11.641 1.00 0.00 C ATOM 1793 O GLN A 119 7.004 -24.582 -10.713 1.00 0.00 O ATOM 1794 CB GLN A 119 6.488 -23.425 -13.753 1.00 0.00 C ATOM 1795 CG GLN A 119 5.359 -24.411 -13.527 1.00 0.00 C ATOM 1796 CD GLN A 119 4.780 -24.935 -14.822 1.00 0.00 C ATOM 1797 OE1 GLN A 119 3.840 -24.363 -15.375 1.00 0.00 O ATOM 1798 NE2 GLN A 119 5.330 -26.033 -15.314 1.00 0.00 N ATOM 0 H GLN A 119 8.171 -21.121 -12.194 1.00 0.00 H new ATOM 0 HA GLN A 119 6.407 -22.417 -11.863 1.00 0.00 H new ATOM 0 HB2 GLN A 119 6.102 -22.564 -14.298 1.00 0.00 H new ATOM 0 HB3 GLN A 119 7.243 -23.891 -14.387 1.00 0.00 H new ATOM 0 HG2 GLN A 119 5.725 -25.247 -12.932 1.00 0.00 H new ATOM 0 HG3 GLN A 119 4.570 -23.929 -12.949 1.00 0.00 H new ATOM 0 HE21 GLN A 119 6.108 -26.477 -14.825 1.00 0.00 H new ATOM 0 HE22 GLN A 119 4.977 -26.436 -16.182 1.00 0.00 H new ATOM 1807 N ALA A 120 8.838 -24.633 -11.987 1.00 0.00 N ATOM 1808 CA ALA A 120 9.449 -25.723 -11.246 1.00 0.00 C ATOM 1809 C ALA A 120 10.912 -25.421 -10.974 1.00 0.00 C ATOM 1810 O ALA A 120 11.238 -25.040 -9.829 1.00 0.00 O ATOM 1811 CB ALA A 120 9.303 -27.035 -12.001 1.00 0.00 C ATOM 1812 OXT ALA A 120 11.724 -25.536 -11.915 1.00 0.00 O ATOM 0 H ALA A 120 9.387 -24.304 -12.781 1.00 0.00 H new ATOM 0 HA ALA A 120 8.933 -25.823 -10.291 1.00 0.00 H new ATOM 0 HB1 ALA A 120 9.767 -27.838 -11.428 1.00 0.00 H new ATOM 0 HB2 ALA A 120 8.245 -27.256 -12.145 1.00 0.00 H new ATOM 0 HB3 ALA A 120 9.791 -26.952 -12.972 1.00 0.00 H new TER 1818 ALA A 120