USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 894 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= -0.393 (180deg=-0.399) USER MOD Single : A 7 SER OG : rot 180:sc= -0.0104 USER MOD Single : A 8 THR OG1 : rot -146:sc= -0.401 USER MOD Single : A 19 ASN : amide:sc= -0.0897 X(o=-0.09,f=0) USER MOD Single : A 21 THR OG1 : rot -99:sc= 0.272 USER MOD Single : A 22 GLN : amide:sc= -4! C(o=-4!,f=-4.8!) USER MOD Single : A 23 ASN : amide:sc= -0.419 X(o=-0.42,f=-0.48) USER MOD Single : A 24 GLN : amide:sc= -4.17! K(o=-4.2!,f=-0.98) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0511 K(o=-0.051,f=-1.7!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0427 USER MOD Single : A 33 MET CE :methyl -106:sc= -0.338 (180deg=-1.48) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0547 K(o=-0.055,f=-1.8!) USER MOD Single : A 40 THR OG1 : rot 132:sc= 0.114 USER MOD Single : A 43 MET CE :methyl 162:sc= -0.146 (180deg=-1.02) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 77:sc= 0.133 USER MOD Single : A 53 ASN : amide:sc= -4.03! C(o=-4!,f=-1.1!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 47:sc= 0.00202 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -6! C(o=-6!,f=-4.1!) USER MOD Single : A 66 MET CE :methyl -176:sc= -0.814 (180deg=-0.987) USER MOD Single : A 68 SER OG : rot 78:sc= 0.0131 USER MOD Single : A 73 HIS : no HD1:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 74 LYS NZ :NH3+ 149:sc= -0.177 (180deg=-0.913) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -45:sc= 0.571 USER MOD Single : A 84 HIS : no HD1:sc= -3.18! C(o=-3.2!,f=-5.8!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 97 LYS NZ :NH3+ -163:sc= -0.0148 (180deg=-0.319) USER MOD Single : A 102 HIS : no HD1:sc= -2.03 X(o=-2,f=-1.6) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -3.6! C(o=-3.6!,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.307 -8.084 13.387 1.00 0.00 N ATOM 2 CA MET A 1 -20.147 -7.159 13.537 1.00 0.00 C ATOM 3 C MET A 1 -18.907 -7.781 12.893 1.00 0.00 C ATOM 4 O MET A 1 -17.790 -7.519 13.293 1.00 0.00 O ATOM 5 CB MET A 1 -19.884 -6.910 15.023 1.00 0.00 C ATOM 6 CG MET A 1 -20.992 -6.023 15.596 1.00 0.00 C ATOM 7 SD MET A 1 -20.700 -5.762 17.364 1.00 0.00 S ATOM 8 CE MET A 1 -22.148 -4.725 17.685 1.00 0.00 C ATOM 0 H1 MET A 1 -22.131 -7.690 13.884 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.532 -8.197 12.378 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.067 -9.010 13.794 1.00 0.00 H new ATOM 0 HA MET A 1 -20.371 -6.213 13.044 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.848 -7.858 15.561 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.914 -6.431 15.156 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.013 -5.066 15.075 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.964 -6.491 15.442 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.167 -4.442 18.738 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.096 -3.827 17.069 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.054 -5.280 17.442 1.00 0.00 H new ATOM 20 N GLY A 2 -19.095 -8.602 11.897 1.00 0.00 N ATOM 21 CA GLY A 2 -17.929 -9.240 11.221 1.00 0.00 C ATOM 22 C GLY A 2 -17.167 -8.185 10.411 1.00 0.00 C ATOM 23 O GLY A 2 -17.650 -7.088 10.209 1.00 0.00 O ATOM 0 H GLY A 2 -20.007 -8.859 11.521 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -17.269 -9.692 11.961 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -18.269 -10.041 10.565 1.00 0.00 H new ATOM 27 N PRO A 3 -15.981 -8.510 9.950 1.00 0.00 N ATOM 28 CA PRO A 3 -15.167 -7.550 9.156 1.00 0.00 C ATOM 29 C PRO A 3 -16.007 -6.781 8.123 1.00 0.00 C ATOM 30 O PRO A 3 -17.161 -7.087 7.896 1.00 0.00 O ATOM 31 CB PRO A 3 -14.138 -8.480 8.487 1.00 0.00 C ATOM 32 CG PRO A 3 -14.153 -9.831 9.238 1.00 0.00 C ATOM 33 CD PRO A 3 -15.373 -9.849 10.182 1.00 0.00 C ATOM 0 HA PRO A 3 -14.719 -6.761 9.760 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -14.384 -8.626 7.435 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.143 -8.036 8.523 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -14.209 -10.658 8.530 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.232 -9.959 9.806 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -16.064 -10.656 9.937 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -15.079 -9.986 11.223 1.00 0.00 H new ATOM 41 N VAL A 4 -15.438 -5.778 7.507 1.00 0.00 N ATOM 42 CA VAL A 4 -16.204 -4.981 6.507 1.00 0.00 C ATOM 43 C VAL A 4 -16.235 -5.721 5.151 1.00 0.00 C ATOM 44 O VAL A 4 -15.304 -6.428 4.820 1.00 0.00 O ATOM 45 CB VAL A 4 -15.513 -3.627 6.327 1.00 0.00 C ATOM 46 CG1 VAL A 4 -15.798 -2.735 7.542 1.00 0.00 C ATOM 47 CG2 VAL A 4 -14.000 -3.844 6.193 1.00 0.00 C ATOM 0 H VAL A 4 -14.475 -5.477 7.654 1.00 0.00 H new ATOM 0 HA VAL A 4 -17.226 -4.841 6.858 1.00 0.00 H new ATOM 0 HB VAL A 4 -15.894 -3.141 5.429 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -15.304 -1.772 7.410 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -16.873 -2.582 7.637 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -15.419 -3.216 8.444 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -13.504 -2.882 6.065 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -13.621 -4.330 7.092 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.798 -4.474 5.327 1.00 0.00 H new ATOM 57 N PRO A 5 -17.284 -5.561 4.359 1.00 0.00 N ATOM 58 CA PRO A 5 -17.356 -6.244 3.033 1.00 0.00 C ATOM 59 C PRO A 5 -16.081 -6.010 2.188 1.00 0.00 C ATOM 60 O PRO A 5 -15.254 -5.189 2.535 1.00 0.00 O ATOM 61 CB PRO A 5 -18.593 -5.586 2.381 1.00 0.00 C ATOM 62 CG PRO A 5 -19.304 -4.717 3.439 1.00 0.00 C ATOM 63 CD PRO A 5 -18.455 -4.711 4.723 1.00 0.00 C ATOM 0 HA PRO A 5 -17.431 -7.328 3.117 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -18.292 -4.975 1.530 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -19.271 -6.350 2.001 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -19.435 -3.701 3.068 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -20.299 -5.111 3.646 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -18.150 -3.702 5.000 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -19.003 -5.122 5.571 1.00 0.00 H new ATOM 71 N PRO A 6 -15.924 -6.714 1.085 1.00 0.00 N ATOM 72 CA PRO A 6 -14.722 -6.532 0.217 1.00 0.00 C ATOM 73 C PRO A 6 -14.721 -5.180 -0.518 1.00 0.00 C ATOM 74 O PRO A 6 -13.836 -4.366 -0.343 1.00 0.00 O ATOM 75 CB PRO A 6 -14.852 -7.705 -0.775 1.00 0.00 C ATOM 76 CG PRO A 6 -16.282 -8.265 -0.671 1.00 0.00 C ATOM 77 CD PRO A 6 -16.915 -7.735 0.629 1.00 0.00 C ATOM 0 HA PRO A 6 -13.791 -6.528 0.783 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -14.649 -7.368 -1.791 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -14.122 -8.481 -0.544 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -16.873 -7.959 -1.534 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -16.264 -9.355 -0.668 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -17.897 -7.295 0.451 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -17.049 -8.527 1.366 1.00 0.00 H new ATOM 85 N SER A 7 -15.700 -4.950 -1.348 1.00 0.00 N ATOM 86 CA SER A 7 -15.755 -3.667 -2.115 1.00 0.00 C ATOM 87 C SER A 7 -15.863 -2.475 -1.159 1.00 0.00 C ATOM 88 O SER A 7 -15.308 -1.422 -1.406 1.00 0.00 O ATOM 89 CB SER A 7 -16.971 -3.680 -3.043 1.00 0.00 C ATOM 90 OG SER A 7 -18.159 -3.682 -2.262 1.00 0.00 O ATOM 0 H SER A 7 -16.468 -5.595 -1.531 1.00 0.00 H new ATOM 0 HA SER A 7 -14.841 -3.570 -2.700 1.00 0.00 H new ATOM 0 HB2 SER A 7 -16.953 -2.808 -3.696 1.00 0.00 H new ATOM 0 HB3 SER A 7 -16.943 -4.560 -3.685 1.00 0.00 H new ATOM 0 HG SER A 7 -18.940 -3.689 -2.854 1.00 0.00 H new ATOM 96 N THR A 8 -16.578 -2.620 -0.079 1.00 0.00 N ATOM 97 CA THR A 8 -16.722 -1.481 0.873 1.00 0.00 C ATOM 98 C THR A 8 -15.370 -1.157 1.510 1.00 0.00 C ATOM 99 O THR A 8 -15.023 -0.008 1.694 1.00 0.00 O ATOM 100 CB THR A 8 -17.723 -1.860 1.967 1.00 0.00 C ATOM 101 OG1 THR A 8 -18.981 -2.148 1.371 1.00 0.00 O ATOM 102 CG2 THR A 8 -17.871 -0.698 2.953 1.00 0.00 C ATOM 0 H THR A 8 -17.068 -3.474 0.186 1.00 0.00 H new ATOM 0 HA THR A 8 -17.080 -0.605 0.333 1.00 0.00 H new ATOM 0 HB THR A 8 -17.365 -2.739 2.503 1.00 0.00 H new ATOM 0 HG1 THR A 8 -19.701 -1.867 1.974 1.00 0.00 H new ATOM 0 HG21 THR A 8 -18.584 -0.970 3.731 1.00 0.00 H new ATOM 0 HG22 THR A 8 -16.904 -0.480 3.407 1.00 0.00 H new ATOM 0 HG23 THR A 8 -18.230 0.185 2.424 1.00 0.00 H new ATOM 110 N ALA A 9 -14.603 -2.154 1.846 1.00 0.00 N ATOM 111 CA ALA A 9 -13.277 -1.890 2.469 1.00 0.00 C ATOM 112 C ALA A 9 -12.401 -1.106 1.491 1.00 0.00 C ATOM 113 O ALA A 9 -11.694 -0.194 1.871 1.00 0.00 O ATOM 114 CB ALA A 9 -12.598 -3.219 2.804 1.00 0.00 C ATOM 0 H ALA A 9 -14.836 -3.139 1.717 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.414 -1.310 3.381 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.627 -3.027 3.260 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -13.221 -3.781 3.500 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -12.461 -3.798 1.891 1.00 0.00 H new ATOM 120 N LEU A 10 -12.436 -1.457 0.234 1.00 0.00 N ATOM 121 CA LEU A 10 -11.599 -0.735 -0.761 1.00 0.00 C ATOM 122 C LEU A 10 -12.017 0.737 -0.793 1.00 0.00 C ATOM 123 O LEU A 10 -11.188 1.625 -0.780 1.00 0.00 O ATOM 124 CB LEU A 10 -11.802 -1.356 -2.148 1.00 0.00 C ATOM 125 CG LEU A 10 -10.865 -0.689 -3.171 1.00 0.00 C ATOM 126 CD1 LEU A 10 -9.405 -1.095 -2.904 1.00 0.00 C ATOM 127 CD2 LEU A 10 -11.271 -1.126 -4.579 1.00 0.00 C ATOM 0 H LEU A 10 -13.008 -2.212 -0.145 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.548 -0.812 -0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.605 -2.427 -2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.839 -1.235 -2.461 1.00 0.00 H new ATOM 0 HG LEU A 10 -10.947 0.394 -3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.754 -0.616 -3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.117 -0.780 -1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.308 -2.178 -2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -10.612 -0.657 -5.310 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.191 -2.210 -4.661 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -12.300 -0.822 -4.772 1.00 0.00 H new ATOM 139 N ARG A 11 -13.296 1.004 -0.841 1.00 0.00 N ATOM 140 CA ARG A 11 -13.752 2.424 -0.880 1.00 0.00 C ATOM 141 C ARG A 11 -13.257 3.132 0.379 1.00 0.00 C ATOM 142 O ARG A 11 -12.741 4.232 0.329 1.00 0.00 O ATOM 143 CB ARG A 11 -15.283 2.476 -0.907 1.00 0.00 C ATOM 144 CG ARG A 11 -15.808 1.926 -2.235 1.00 0.00 C ATOM 145 CD ARG A 11 -17.337 1.999 -2.234 1.00 0.00 C ATOM 146 NE ARG A 11 -17.876 1.314 -3.442 1.00 0.00 N ATOM 147 CZ ARG A 11 -19.144 1.011 -3.506 1.00 0.00 C ATOM 148 NH1 ARG A 11 -19.938 1.313 -2.514 1.00 0.00 N ATOM 149 NH2 ARG A 11 -19.620 0.409 -4.562 1.00 0.00 N ATOM 0 H ARG A 11 -14.039 0.306 -0.855 1.00 0.00 H new ATOM 0 HA ARG A 11 -13.357 2.910 -1.772 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -15.688 1.895 -0.079 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -15.622 3.503 -0.771 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -15.404 2.502 -3.067 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -15.480 0.896 -2.372 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -17.732 1.531 -1.333 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -17.660 3.040 -2.220 1.00 0.00 H new ATOM 0 HE ARG A 11 -17.255 1.082 -4.218 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -19.567 1.786 -1.690 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -20.929 1.076 -2.564 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -19.001 0.175 -5.338 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -20.611 0.173 -4.611 1.00 0.00 H new ATOM 163 N GLU A 12 -13.403 2.499 1.510 1.00 0.00 N ATOM 164 CA GLU A 12 -12.935 3.113 2.781 1.00 0.00 C ATOM 165 C GLU A 12 -11.421 3.318 2.718 1.00 0.00 C ATOM 166 O GLU A 12 -10.901 4.319 3.168 1.00 0.00 O ATOM 167 CB GLU A 12 -13.290 2.191 3.950 1.00 0.00 C ATOM 168 CG GLU A 12 -14.804 2.211 4.171 1.00 0.00 C ATOM 169 CD GLU A 12 -15.165 1.271 5.322 1.00 0.00 C ATOM 170 OE1 GLU A 12 -15.142 0.070 5.109 1.00 0.00 O ATOM 171 OE2 GLU A 12 -15.460 1.768 6.396 1.00 0.00 O ATOM 0 H GLU A 12 -13.829 1.577 1.607 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.421 4.078 2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -12.955 1.175 3.741 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.775 2.517 4.854 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -15.136 3.224 4.398 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -15.319 1.903 3.261 1.00 0.00 H new ATOM 178 N LEU A 13 -10.710 2.373 2.166 1.00 0.00 N ATOM 179 CA LEU A 13 -9.229 2.509 2.079 1.00 0.00 C ATOM 180 C LEU A 13 -8.867 3.626 1.092 1.00 0.00 C ATOM 181 O LEU A 13 -8.027 4.459 1.367 1.00 0.00 O ATOM 182 CB LEU A 13 -8.640 1.176 1.594 1.00 0.00 C ATOM 183 CG LEU A 13 -7.110 1.262 1.484 1.00 0.00 C ATOM 184 CD1 LEU A 13 -6.491 1.582 2.853 1.00 0.00 C ATOM 185 CD2 LEU A 13 -6.574 -0.085 0.985 1.00 0.00 C ATOM 0 H LEU A 13 -11.091 1.513 1.772 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.822 2.760 3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.915 0.379 2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.065 0.917 0.624 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.844 2.056 0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.407 1.639 2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.875 2.537 3.212 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.752 0.797 3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.488 -0.037 0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.850 -0.870 1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.002 -0.308 0.008 1.00 0.00 H new ATOM 197 N ILE A 14 -9.496 3.655 -0.052 1.00 0.00 N ATOM 198 CA ILE A 14 -9.187 4.722 -1.047 1.00 0.00 C ATOM 199 C ILE A 14 -9.488 6.104 -0.449 1.00 0.00 C ATOM 200 O ILE A 14 -8.692 7.017 -0.540 1.00 0.00 O ATOM 201 CB ILE A 14 -10.035 4.505 -2.308 1.00 0.00 C ATOM 202 CG1 ILE A 14 -9.535 3.256 -3.040 1.00 0.00 C ATOM 203 CG2 ILE A 14 -9.913 5.721 -3.235 1.00 0.00 C ATOM 204 CD1 ILE A 14 -10.516 2.881 -4.154 1.00 0.00 C ATOM 0 H ILE A 14 -10.210 2.986 -0.340 1.00 0.00 H new ATOM 0 HA ILE A 14 -8.130 4.674 -1.307 1.00 0.00 H new ATOM 0 HB ILE A 14 -11.079 4.376 -2.024 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -8.546 3.441 -3.460 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -9.433 2.428 -2.338 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -10.517 5.560 -4.128 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -10.265 6.612 -2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -8.870 5.856 -3.522 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -10.156 1.992 -4.672 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -11.496 2.678 -3.723 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.595 3.706 -4.862 1.00 0.00 H new ATOM 216 N GLU A 15 -10.640 6.267 0.145 1.00 0.00 N ATOM 217 CA GLU A 15 -11.001 7.593 0.726 1.00 0.00 C ATOM 218 C GLU A 15 -9.995 8.005 1.801 1.00 0.00 C ATOM 219 O GLU A 15 -9.623 9.157 1.900 1.00 0.00 O ATOM 220 CB GLU A 15 -12.396 7.510 1.350 1.00 0.00 C ATOM 221 CG GLU A 15 -13.446 7.375 0.246 1.00 0.00 C ATOM 222 CD GLU A 15 -14.838 7.292 0.877 1.00 0.00 C ATOM 223 OE1 GLU A 15 -14.911 7.169 2.089 1.00 0.00 O ATOM 224 OE2 GLU A 15 -15.806 7.358 0.138 1.00 0.00 O ATOM 0 H GLU A 15 -11.347 5.539 0.253 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.988 8.337 -0.071 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.453 6.657 2.026 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.593 8.402 1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.391 8.228 -0.430 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.251 6.483 -0.350 1.00 0.00 H new ATOM 231 N GLU A 16 -9.555 7.088 2.617 1.00 0.00 N ATOM 232 CA GLU A 16 -8.584 7.465 3.684 1.00 0.00 C ATOM 233 C GLU A 16 -7.216 7.777 3.069 1.00 0.00 C ATOM 234 O GLU A 16 -6.605 8.780 3.380 1.00 0.00 O ATOM 235 CB GLU A 16 -8.443 6.316 4.683 1.00 0.00 C ATOM 236 CG GLU A 16 -7.522 6.748 5.826 1.00 0.00 C ATOM 237 CD GLU A 16 -7.509 5.669 6.910 1.00 0.00 C ATOM 238 OE1 GLU A 16 -8.252 4.711 6.773 1.00 0.00 O ATOM 239 OE2 GLU A 16 -6.760 5.821 7.860 1.00 0.00 O ATOM 0 H GLU A 16 -9.822 6.104 2.593 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.954 8.352 4.198 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.421 6.038 5.075 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.036 5.435 4.186 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.512 6.913 5.450 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.865 7.694 6.245 1.00 0.00 H new ATOM 246 N LEU A 17 -6.725 6.931 2.205 1.00 0.00 N ATOM 247 CA LEU A 17 -5.392 7.196 1.590 1.00 0.00 C ATOM 248 C LEU A 17 -5.437 8.511 0.811 1.00 0.00 C ATOM 249 O LEU A 17 -4.529 9.313 0.876 1.00 0.00 O ATOM 250 CB LEU A 17 -5.024 6.054 0.637 1.00 0.00 C ATOM 251 CG LEU A 17 -4.765 4.764 1.430 1.00 0.00 C ATOM 252 CD1 LEU A 17 -4.562 3.605 0.448 1.00 0.00 C ATOM 253 CD2 LEU A 17 -3.512 4.918 2.319 1.00 0.00 C ATOM 0 H LEU A 17 -7.185 6.073 1.900 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.643 7.265 2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.830 5.894 -0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.137 6.321 0.063 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.622 4.561 2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.378 2.686 1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.456 3.486 -0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.708 3.818 -0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.344 3.995 2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.645 5.128 1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.662 5.740 3.019 1.00 0.00 H new ATOM 265 N VAL A 18 -6.485 8.739 0.070 1.00 0.00 N ATOM 266 CA VAL A 18 -6.583 10.000 -0.718 1.00 0.00 C ATOM 267 C VAL A 18 -6.665 11.204 0.225 1.00 0.00 C ATOM 268 O VAL A 18 -6.036 12.219 0.005 1.00 0.00 O ATOM 269 CB VAL A 18 -7.837 9.946 -1.602 1.00 0.00 C ATOM 270 CG1 VAL A 18 -8.098 11.319 -2.232 1.00 0.00 C ATOM 271 CG2 VAL A 18 -7.624 8.917 -2.714 1.00 0.00 C ATOM 0 H VAL A 18 -7.279 8.106 -0.024 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.697 10.105 -1.344 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.694 9.665 -0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.990 11.269 -2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.247 12.058 -1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.243 11.608 -2.843 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.512 8.874 -3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.763 9.206 -3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.445 7.936 -2.273 1.00 0.00 H new ATOM 281 N ASN A 19 -7.449 11.110 1.260 1.00 0.00 N ATOM 282 CA ASN A 19 -7.590 12.262 2.195 1.00 0.00 C ATOM 283 C ASN A 19 -6.237 12.632 2.820 1.00 0.00 C ATOM 284 O ASN A 19 -5.884 13.791 2.902 1.00 0.00 O ATOM 285 CB ASN A 19 -8.578 11.893 3.303 1.00 0.00 C ATOM 286 CG ASN A 19 -8.756 13.086 4.242 1.00 0.00 C ATOM 287 OD1 ASN A 19 -8.617 12.957 5.442 1.00 0.00 O ATOM 288 ND2 ASN A 19 -9.061 14.252 3.741 1.00 0.00 N ATOM 0 H ASN A 19 -7.999 10.286 1.501 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.957 13.122 1.635 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.538 11.610 2.870 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.212 11.030 3.859 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.183 15.056 4.357 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.178 14.359 2.733 1.00 0.00 H new ATOM 295 N ILE A 20 -5.487 11.667 3.284 1.00 0.00 N ATOM 296 CA ILE A 20 -4.173 11.985 3.927 1.00 0.00 C ATOM 297 C ILE A 20 -3.083 12.256 2.874 1.00 0.00 C ATOM 298 O ILE A 20 -2.012 12.725 3.208 1.00 0.00 O ATOM 299 CB ILE A 20 -3.761 10.836 4.861 1.00 0.00 C ATOM 300 CG1 ILE A 20 -3.386 9.590 4.052 1.00 0.00 C ATOM 301 CG2 ILE A 20 -4.933 10.502 5.785 1.00 0.00 C ATOM 302 CD1 ILE A 20 -3.076 8.429 5.005 1.00 0.00 C ATOM 0 H ILE A 20 -5.724 10.676 3.247 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.287 12.896 4.515 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.895 11.148 5.444 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.204 9.317 3.385 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.520 9.799 3.424 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.650 9.687 6.452 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.193 11.381 6.375 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.793 10.200 5.187 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.810 7.544 4.426 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.244 8.703 5.653 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.954 8.214 5.614 1.00 0.00 H new ATOM 314 N THR A 21 -3.327 11.974 1.610 1.00 0.00 N ATOM 315 CA THR A 21 -2.272 12.234 0.565 1.00 0.00 C ATOM 316 C THR A 21 -2.576 13.540 -0.179 1.00 0.00 C ATOM 317 O THR A 21 -1.703 14.139 -0.773 1.00 0.00 O ATOM 318 CB THR A 21 -2.245 11.090 -0.455 1.00 0.00 C ATOM 319 OG1 THR A 21 -3.542 10.922 -1.007 1.00 0.00 O ATOM 320 CG2 THR A 21 -1.798 9.790 0.217 1.00 0.00 C ATOM 0 H THR A 21 -4.200 11.580 1.259 1.00 0.00 H new ATOM 0 HA THR A 21 -1.307 12.308 1.066 1.00 0.00 H new ATOM 0 HB THR A 21 -1.538 11.335 -1.247 1.00 0.00 H new ATOM 0 HG1 THR A 21 -3.998 10.183 -0.552 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.783 8.986 -0.519 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.799 9.920 0.632 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.493 9.536 1.017 1.00 0.00 H new ATOM 328 N GLN A 22 -3.799 13.988 -0.162 1.00 0.00 N ATOM 329 CA GLN A 22 -4.130 15.256 -0.876 1.00 0.00 C ATOM 330 C GLN A 22 -3.649 16.464 -0.068 1.00 0.00 C ATOM 331 O GLN A 22 -3.275 17.479 -0.620 1.00 0.00 O ATOM 332 CB GLN A 22 -5.644 15.352 -1.089 1.00 0.00 C ATOM 333 CG GLN A 22 -6.069 14.385 -2.197 1.00 0.00 C ATOM 334 CD GLN A 22 -7.595 14.322 -2.265 1.00 0.00 C ATOM 335 OE1 GLN A 22 -8.273 14.668 -1.317 1.00 0.00 O ATOM 336 NE2 GLN A 22 -8.168 13.896 -3.357 1.00 0.00 N ATOM 0 H GLN A 22 -4.581 13.536 0.312 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.626 15.254 -1.842 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.168 15.113 -0.163 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.920 16.372 -1.357 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.665 14.713 -3.155 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.662 13.392 -2.003 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.599 13.606 -4.152 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -9.185 13.853 -3.416 1.00 0.00 H new ATOM 345 N ASN A 23 -3.676 16.375 1.236 1.00 0.00 N ATOM 346 CA ASN A 23 -3.242 17.532 2.083 1.00 0.00 C ATOM 347 C ASN A 23 -1.782 17.378 2.521 1.00 0.00 C ATOM 348 O ASN A 23 -1.263 18.204 3.246 1.00 0.00 O ATOM 349 CB ASN A 23 -4.129 17.604 3.326 1.00 0.00 C ATOM 350 CG ASN A 23 -3.809 18.883 4.100 1.00 0.00 C ATOM 351 OD1 ASN A 23 -3.236 18.832 5.170 1.00 0.00 O ATOM 352 ND2 ASN A 23 -4.157 20.037 3.600 1.00 0.00 N ATOM 0 H ASN A 23 -3.980 15.551 1.754 1.00 0.00 H new ATOM 0 HA ASN A 23 -3.334 18.444 1.493 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.180 17.593 3.038 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.962 16.731 3.957 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -3.948 20.897 4.108 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -4.638 20.079 2.702 1.00 0.00 H new ATOM 359 N GLN A 24 -1.108 16.339 2.107 1.00 0.00 N ATOM 360 CA GLN A 24 0.313 16.175 2.537 1.00 0.00 C ATOM 361 C GLN A 24 1.215 17.063 1.673 1.00 0.00 C ATOM 362 O GLN A 24 1.176 17.008 0.460 1.00 0.00 O ATOM 363 CB GLN A 24 0.728 14.694 2.405 1.00 0.00 C ATOM 364 CG GLN A 24 1.076 14.347 0.950 1.00 0.00 C ATOM 365 CD GLN A 24 1.237 12.832 0.812 1.00 0.00 C ATOM 366 OE1 GLN A 24 1.277 12.310 -0.284 1.00 0.00 O ATOM 367 NE2 GLN A 24 1.330 12.100 1.887 1.00 0.00 N ATOM 0 H GLN A 24 -1.472 15.606 1.498 1.00 0.00 H new ATOM 0 HA GLN A 24 0.418 16.476 3.580 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.587 14.495 3.045 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.083 14.053 2.751 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.291 14.702 0.282 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.997 14.850 0.655 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.296 12.539 2.807 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.436 11.089 1.808 1.00 0.00 H new ATOM 376 N LYS A 25 2.039 17.874 2.286 1.00 0.00 N ATOM 377 CA LYS A 25 2.951 18.747 1.492 1.00 0.00 C ATOM 378 C LYS A 25 4.242 17.976 1.217 1.00 0.00 C ATOM 379 O LYS A 25 4.432 17.419 0.154 1.00 0.00 O ATOM 380 CB LYS A 25 3.274 20.018 2.286 1.00 0.00 C ATOM 381 CG LYS A 25 4.138 20.947 1.429 1.00 0.00 C ATOM 382 CD LYS A 25 4.469 22.219 2.213 1.00 0.00 C ATOM 383 CE LYS A 25 5.329 23.138 1.342 1.00 0.00 C ATOM 384 NZ LYS A 25 5.575 24.420 2.060 1.00 0.00 N ATOM 0 H LYS A 25 2.119 17.968 3.298 1.00 0.00 H new ATOM 0 HA LYS A 25 2.473 19.028 0.554 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.353 20.524 2.575 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.799 19.762 3.206 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.057 20.438 1.139 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.611 21.203 0.510 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.551 22.729 2.505 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.000 21.967 3.131 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.277 22.653 1.109 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.828 23.331 0.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.159 25.043 1.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.667 24.885 2.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.071 24.228 2.954 1.00 0.00 H new ATOM 398 N ALA A 26 5.123 17.928 2.179 1.00 0.00 N ATOM 399 CA ALA A 26 6.398 17.179 1.997 1.00 0.00 C ATOM 400 C ALA A 26 6.136 15.693 2.303 1.00 0.00 C ATOM 401 O ALA A 26 5.145 15.356 2.920 1.00 0.00 O ATOM 402 CB ALA A 26 7.461 17.758 2.960 1.00 0.00 C ATOM 0 H ALA A 26 5.013 18.378 3.088 1.00 0.00 H new ATOM 0 HA ALA A 26 6.765 17.274 0.975 1.00 0.00 H new ATOM 0 HB1 ALA A 26 8.399 17.217 2.835 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.619 18.813 2.736 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.116 17.653 3.989 1.00 0.00 H new ATOM 408 N PRO A 27 7.014 14.809 1.892 1.00 0.00 N ATOM 409 CA PRO A 27 6.821 13.361 2.170 1.00 0.00 C ATOM 410 C PRO A 27 6.433 13.114 3.636 1.00 0.00 C ATOM 411 O PRO A 27 6.983 13.713 4.538 1.00 0.00 O ATOM 412 CB PRO A 27 8.208 12.776 1.837 1.00 0.00 C ATOM 413 CG PRO A 27 9.023 13.853 1.087 1.00 0.00 C ATOM 414 CD PRO A 27 8.241 15.181 1.135 1.00 0.00 C ATOM 0 HA PRO A 27 6.012 12.909 1.596 1.00 0.00 H new ATOM 0 HB2 PRO A 27 8.723 12.478 2.750 1.00 0.00 H new ATOM 0 HB3 PRO A 27 8.105 11.882 1.222 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.004 13.974 1.547 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.191 13.550 0.054 1.00 0.00 H new ATOM 0 HD2 PRO A 27 8.806 15.966 1.639 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.005 15.549 0.136 1.00 0.00 H new ATOM 422 N LEU A 28 5.492 12.244 3.883 1.00 0.00 N ATOM 423 CA LEU A 28 5.085 11.983 5.294 1.00 0.00 C ATOM 424 C LEU A 28 6.273 11.411 6.066 1.00 0.00 C ATOM 425 O LEU A 28 6.523 11.774 7.198 1.00 0.00 O ATOM 426 CB LEU A 28 3.939 10.969 5.319 1.00 0.00 C ATOM 427 CG LEU A 28 2.730 11.519 4.554 1.00 0.00 C ATOM 428 CD1 LEU A 28 1.631 10.454 4.529 1.00 0.00 C ATOM 429 CD2 LEU A 28 2.202 12.793 5.241 1.00 0.00 C ATOM 0 H LEU A 28 4.991 11.706 3.176 1.00 0.00 H new ATOM 0 HA LEU A 28 4.759 12.916 5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.265 10.030 4.872 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.658 10.751 6.350 1.00 0.00 H new ATOM 0 HG LEU A 28 3.028 11.769 3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.766 10.836 3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.004 9.558 4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.339 10.208 5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.343 13.175 4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.902 12.558 6.262 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.987 13.549 5.259 1.00 0.00 H new ATOM 441 N CYS A 29 7.011 10.524 5.460 1.00 0.00 N ATOM 442 CA CYS A 29 8.190 9.931 6.153 1.00 0.00 C ATOM 443 C CYS A 29 9.391 10.866 5.994 1.00 0.00 C ATOM 444 O CYS A 29 9.388 11.760 5.171 1.00 0.00 O ATOM 445 CB CYS A 29 8.505 8.561 5.547 1.00 0.00 C ATOM 446 SG CYS A 29 7.254 7.365 6.085 1.00 0.00 S ATOM 0 H CYS A 29 6.849 10.183 4.513 1.00 0.00 H new ATOM 0 HA CYS A 29 7.971 9.806 7.213 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.518 8.626 4.459 1.00 0.00 H new ATOM 0 HB3 CYS A 29 9.496 8.232 5.858 1.00 0.00 H new ATOM 451 N ASN A 30 10.414 10.670 6.779 1.00 0.00 N ATOM 452 CA ASN A 30 11.616 11.548 6.683 1.00 0.00 C ATOM 453 C ASN A 30 12.315 11.333 5.338 1.00 0.00 C ATOM 454 O ASN A 30 13.522 11.213 5.270 1.00 0.00 O ATOM 455 CB ASN A 30 12.580 11.212 7.823 1.00 0.00 C ATOM 456 CG ASN A 30 11.977 11.674 9.151 1.00 0.00 C ATOM 457 OD1 ASN A 30 11.190 12.600 9.185 1.00 0.00 O ATOM 458 ND2 ASN A 30 12.315 11.065 10.255 1.00 0.00 N ATOM 0 H ASN A 30 10.470 9.937 7.486 1.00 0.00 H new ATOM 0 HA ASN A 30 11.307 12.591 6.759 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.768 10.139 7.850 1.00 0.00 H new ATOM 0 HB3 ASN A 30 13.540 11.700 7.658 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.919 11.366 11.145 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.975 10.288 10.227 1.00 0.00 H new ATOM 465 N GLY A 31 11.573 11.283 4.265 1.00 0.00 N ATOM 466 CA GLY A 31 12.208 11.077 2.932 1.00 0.00 C ATOM 467 C GLY A 31 12.523 9.592 2.739 1.00 0.00 C ATOM 468 O GLY A 31 13.357 9.222 1.937 1.00 0.00 O ATOM 0 H GLY A 31 10.557 11.376 4.254 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.541 11.423 2.143 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.122 11.666 2.858 1.00 0.00 H new ATOM 472 N SER A 32 11.867 8.739 3.477 1.00 0.00 N ATOM 473 CA SER A 32 12.131 7.277 3.348 1.00 0.00 C ATOM 474 C SER A 32 11.765 6.801 1.940 1.00 0.00 C ATOM 475 O SER A 32 10.848 7.305 1.319 1.00 0.00 O ATOM 476 CB SER A 32 11.287 6.517 4.371 1.00 0.00 C ATOM 477 OG SER A 32 11.635 6.951 5.679 1.00 0.00 O ATOM 0 H SER A 32 11.158 8.992 4.165 1.00 0.00 H new ATOM 0 HA SER A 32 13.190 7.089 3.527 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.227 6.691 4.187 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.455 5.444 4.274 1.00 0.00 H new ATOM 0 HG SER A 32 11.095 6.468 6.339 1.00 0.00 H new ATOM 483 N MET A 33 12.481 5.825 1.439 1.00 0.00 N ATOM 484 CA MET A 33 12.203 5.282 0.071 1.00 0.00 C ATOM 485 C MET A 33 11.814 3.804 0.192 1.00 0.00 C ATOM 486 O MET A 33 12.182 3.137 1.139 1.00 0.00 O ATOM 487 CB MET A 33 13.466 5.409 -0.785 1.00 0.00 C ATOM 488 CG MET A 33 13.864 6.883 -0.888 1.00 0.00 C ATOM 489 SD MET A 33 15.358 7.044 -1.901 1.00 0.00 S ATOM 490 CE MET A 33 14.624 6.612 -3.498 1.00 0.00 C ATOM 0 H MET A 33 13.256 5.375 1.925 1.00 0.00 H new ATOM 0 HA MET A 33 11.390 5.839 -0.394 1.00 0.00 H new ATOM 0 HB2 MET A 33 14.278 4.832 -0.343 1.00 0.00 H new ATOM 0 HB3 MET A 33 13.288 4.999 -1.779 1.00 0.00 H new ATOM 0 HG2 MET A 33 13.050 7.459 -1.329 1.00 0.00 H new ATOM 0 HG3 MET A 33 14.042 7.292 0.107 1.00 0.00 H new ATOM 0 HE1 MET A 33 14.939 5.609 -3.784 1.00 0.00 H new ATOM 0 HE2 MET A 33 13.537 6.642 -3.419 1.00 0.00 H new ATOM 0 HE3 MET A 33 14.953 7.325 -4.254 1.00 0.00 H new ATOM 500 N VAL A 34 11.068 3.290 -0.756 1.00 0.00 N ATOM 501 CA VAL A 34 10.642 1.851 -0.706 1.00 0.00 C ATOM 502 C VAL A 34 10.948 1.179 -2.049 1.00 0.00 C ATOM 503 O VAL A 34 11.130 1.835 -3.055 1.00 0.00 O ATOM 504 CB VAL A 34 9.140 1.769 -0.420 1.00 0.00 C ATOM 505 CG1 VAL A 34 8.870 2.199 1.024 1.00 0.00 C ATOM 506 CG2 VAL A 34 8.385 2.696 -1.373 1.00 0.00 C ATOM 0 H VAL A 34 10.733 3.807 -1.569 1.00 0.00 H new ATOM 0 HA VAL A 34 11.188 1.340 0.087 1.00 0.00 H new ATOM 0 HB VAL A 34 8.801 0.743 -0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.801 2.141 1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.406 1.539 1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.211 3.224 1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.316 2.636 -1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.725 3.721 -1.229 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.574 2.392 -2.402 1.00 0.00 H new ATOM 516 N TRP A 35 11.021 -0.126 -2.066 1.00 0.00 N ATOM 517 CA TRP A 35 11.333 -0.842 -3.338 1.00 0.00 C ATOM 518 C TRP A 35 10.133 -0.794 -4.282 1.00 0.00 C ATOM 519 O TRP A 35 9.016 -1.083 -3.901 1.00 0.00 O ATOM 520 CB TRP A 35 11.649 -2.307 -3.035 1.00 0.00 C ATOM 521 CG TRP A 35 12.913 -2.410 -2.248 1.00 0.00 C ATOM 522 CD1 TRP A 35 12.987 -2.402 -0.898 1.00 0.00 C ATOM 523 CD2 TRP A 35 14.280 -2.546 -2.733 1.00 0.00 C ATOM 524 NE1 TRP A 35 14.311 -2.532 -0.522 1.00 0.00 N ATOM 525 CE2 TRP A 35 15.147 -2.621 -1.618 1.00 0.00 C ATOM 526 CE3 TRP A 35 14.847 -2.612 -4.019 1.00 0.00 C ATOM 527 CZ2 TRP A 35 16.527 -2.758 -1.772 1.00 0.00 C ATOM 528 CZ3 TRP A 35 16.236 -2.748 -4.178 1.00 0.00 C ATOM 529 CH2 TRP A 35 17.074 -2.822 -3.057 1.00 0.00 C ATOM 0 H TRP A 35 10.878 -0.727 -1.254 1.00 0.00 H new ATOM 0 HA TRP A 35 12.189 -0.357 -3.808 1.00 0.00 H new ATOM 0 HB2 TRP A 35 10.827 -2.756 -2.477 1.00 0.00 H new ATOM 0 HB3 TRP A 35 11.745 -2.866 -3.966 1.00 0.00 H new ATOM 0 HD1 TRP A 35 12.149 -2.309 -0.223 1.00 0.00 H new ATOM 0 HE1 TRP A 35 14.631 -2.559 0.446 1.00 0.00 H new ATOM 0 HE3 TRP A 35 14.210 -2.558 -4.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 17.168 -2.814 -0.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 16.661 -2.796 -5.170 1.00 0.00 H new ATOM 0 HH2 TRP A 35 18.141 -2.928 -3.186 1.00 0.00 H new ATOM 540 N SER A 36 10.361 -0.451 -5.521 1.00 0.00 N ATOM 541 CA SER A 36 9.242 -0.409 -6.502 1.00 0.00 C ATOM 542 C SER A 36 8.803 -1.842 -6.819 1.00 0.00 C ATOM 543 O SER A 36 9.620 -2.734 -6.930 1.00 0.00 O ATOM 544 CB SER A 36 9.715 0.278 -7.785 1.00 0.00 C ATOM 545 OG SER A 36 8.657 0.275 -8.737 1.00 0.00 O ATOM 0 H SER A 36 11.275 -0.198 -5.895 1.00 0.00 H new ATOM 0 HA SER A 36 8.404 0.148 -6.084 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.024 1.301 -7.571 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.585 -0.240 -8.189 1.00 0.00 H new ATOM 0 HG SER A 36 8.956 0.716 -9.560 1.00 0.00 H new ATOM 551 N ILE A 37 7.520 -2.068 -6.968 1.00 0.00 N ATOM 552 CA ILE A 37 7.016 -3.445 -7.285 1.00 0.00 C ATOM 553 C ILE A 37 6.040 -3.376 -8.457 1.00 0.00 C ATOM 554 O ILE A 37 5.535 -2.325 -8.797 1.00 0.00 O ATOM 555 CB ILE A 37 6.292 -4.030 -6.068 1.00 0.00 C ATOM 556 CG1 ILE A 37 5.222 -3.043 -5.565 1.00 0.00 C ATOM 557 CG2 ILE A 37 7.309 -4.297 -4.956 1.00 0.00 C ATOM 558 CD1 ILE A 37 4.193 -3.792 -4.712 1.00 0.00 C ATOM 0 H ILE A 37 6.795 -1.355 -6.884 1.00 0.00 H new ATOM 0 HA ILE A 37 7.863 -4.080 -7.545 1.00 0.00 H new ATOM 0 HB ILE A 37 5.805 -4.963 -6.353 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.689 -2.252 -4.978 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.729 -2.564 -6.411 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.798 -4.713 -4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.058 -5.005 -5.310 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.796 -3.363 -4.677 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.436 -3.092 -4.357 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.717 -4.567 -5.313 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.692 -4.250 -3.859 1.00 0.00 H new ATOM 570 N ASN A 38 5.756 -4.496 -9.066 1.00 0.00 N ATOM 571 CA ASN A 38 4.795 -4.507 -10.204 1.00 0.00 C ATOM 572 C ASN A 38 3.383 -4.678 -9.647 1.00 0.00 C ATOM 573 O ASN A 38 3.096 -5.620 -8.935 1.00 0.00 O ATOM 574 CB ASN A 38 5.116 -5.679 -11.138 1.00 0.00 C ATOM 575 CG ASN A 38 6.415 -5.391 -11.896 1.00 0.00 C ATOM 576 OD1 ASN A 38 6.800 -4.249 -12.051 1.00 0.00 O ATOM 577 ND2 ASN A 38 7.110 -6.385 -12.379 1.00 0.00 N ATOM 0 H ASN A 38 6.150 -5.405 -8.823 1.00 0.00 H new ATOM 0 HA ASN A 38 4.870 -3.573 -10.762 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.215 -6.599 -10.562 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.298 -5.830 -11.842 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.976 -6.203 -12.886 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.787 -7.344 -12.249 1.00 0.00 H new ATOM 584 N LEU A 39 2.498 -3.774 -9.957 1.00 0.00 N ATOM 585 CA LEU A 39 1.109 -3.890 -9.435 1.00 0.00 C ATOM 586 C LEU A 39 0.328 -4.881 -10.299 1.00 0.00 C ATOM 587 O LEU A 39 0.093 -4.648 -11.468 1.00 0.00 O ATOM 588 CB LEU A 39 0.426 -2.521 -9.498 1.00 0.00 C ATOM 589 CG LEU A 39 1.015 -1.564 -8.447 1.00 0.00 C ATOM 590 CD1 LEU A 39 0.761 -2.097 -7.024 1.00 0.00 C ATOM 591 CD2 LEU A 39 2.524 -1.390 -8.683 1.00 0.00 C ATOM 0 H LEU A 39 2.675 -2.962 -10.548 1.00 0.00 H new ATOM 0 HA LEU A 39 1.134 -4.239 -8.403 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.549 -2.094 -10.493 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.645 -2.636 -9.331 1.00 0.00 H new ATOM 0 HG LEU A 39 0.524 -0.596 -8.546 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.185 -1.406 -6.296 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.312 -2.188 -6.856 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.230 -3.075 -6.913 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.933 -0.711 -7.935 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.019 -2.358 -8.604 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.691 -0.977 -9.678 1.00 0.00 H new ATOM 603 N THR A 40 -0.079 -5.988 -9.735 1.00 0.00 N ATOM 604 CA THR A 40 -0.847 -6.993 -10.527 1.00 0.00 C ATOM 605 C THR A 40 -1.824 -7.736 -9.608 1.00 0.00 C ATOM 606 O THR A 40 -2.848 -7.213 -9.219 1.00 0.00 O ATOM 607 CB THR A 40 0.128 -7.994 -11.155 1.00 0.00 C ATOM 608 OG1 THR A 40 1.093 -8.377 -10.188 1.00 0.00 O ATOM 609 CG2 THR A 40 0.835 -7.351 -12.351 1.00 0.00 C ATOM 0 H THR A 40 0.087 -6.239 -8.761 1.00 0.00 H new ATOM 0 HA THR A 40 -1.408 -6.486 -11.313 1.00 0.00 H new ATOM 0 HB THR A 40 -0.424 -8.871 -11.494 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.180 -9.353 -10.181 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.527 -8.068 -12.793 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.095 -7.055 -13.095 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.387 -6.472 -12.018 1.00 0.00 H new ATOM 617 N ALA A 41 -1.514 -8.960 -9.263 1.00 0.00 N ATOM 618 CA ALA A 41 -2.422 -9.750 -8.376 1.00 0.00 C ATOM 619 C ALA A 41 -2.051 -9.531 -6.904 1.00 0.00 C ATOM 620 O ALA A 41 -2.698 -8.783 -6.198 1.00 0.00 O ATOM 621 CB ALA A 41 -2.288 -11.238 -8.712 1.00 0.00 C ATOM 0 H ALA A 41 -0.668 -9.448 -9.558 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.448 -9.421 -8.537 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.949 -11.818 -8.067 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.563 -11.402 -9.754 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.257 -11.555 -8.554 1.00 0.00 H new ATOM 627 N GLY A 42 -1.023 -10.191 -6.436 1.00 0.00 N ATOM 628 CA GLY A 42 -0.611 -10.042 -5.006 1.00 0.00 C ATOM 629 C GLY A 42 -0.118 -8.617 -4.740 1.00 0.00 C ATOM 630 O GLY A 42 0.907 -8.409 -4.123 1.00 0.00 O ATOM 0 H GLY A 42 -0.448 -10.830 -6.985 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.453 -10.271 -4.352 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.178 -10.757 -4.772 1.00 0.00 H new ATOM 634 N MET A 43 -0.841 -7.636 -5.197 1.00 0.00 N ATOM 635 CA MET A 43 -0.422 -6.224 -4.971 1.00 0.00 C ATOM 636 C MET A 43 -0.341 -5.946 -3.467 1.00 0.00 C ATOM 637 O MET A 43 0.633 -5.417 -2.972 1.00 0.00 O ATOM 638 CB MET A 43 -1.484 -5.303 -5.565 1.00 0.00 C ATOM 639 CG MET A 43 -1.641 -5.552 -7.070 1.00 0.00 C ATOM 640 SD MET A 43 -3.330 -5.126 -7.576 1.00 0.00 S ATOM 641 CE MET A 43 -3.404 -3.475 -6.836 1.00 0.00 C ATOM 0 H MET A 43 -1.709 -7.750 -5.720 1.00 0.00 H new ATOM 0 HA MET A 43 0.550 -6.053 -5.435 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.437 -5.469 -5.063 1.00 0.00 H new ATOM 0 HB3 MET A 43 -1.208 -4.263 -5.391 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.920 -4.953 -7.626 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.433 -6.597 -7.301 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.220 -2.910 -7.287 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.575 -3.564 -5.763 1.00 0.00 H new ATOM 0 HE3 MET A 43 -2.462 -2.955 -7.011 1.00 0.00 H new ATOM 651 N TYR A 44 -1.376 -6.288 -2.743 1.00 0.00 N ATOM 652 CA TYR A 44 -1.389 -6.035 -1.272 1.00 0.00 C ATOM 653 C TYR A 44 -0.236 -6.782 -0.600 1.00 0.00 C ATOM 654 O TYR A 44 0.440 -6.256 0.262 1.00 0.00 O ATOM 655 CB TYR A 44 -2.719 -6.521 -0.692 1.00 0.00 C ATOM 656 CG TYR A 44 -3.859 -5.754 -1.323 1.00 0.00 C ATOM 657 CD1 TYR A 44 -4.301 -4.557 -0.749 1.00 0.00 C ATOM 658 CD2 TYR A 44 -4.474 -6.244 -2.482 1.00 0.00 C ATOM 659 CE1 TYR A 44 -5.358 -3.847 -1.334 1.00 0.00 C ATOM 660 CE2 TYR A 44 -5.531 -5.535 -3.067 1.00 0.00 C ATOM 661 CZ TYR A 44 -5.973 -4.336 -2.493 1.00 0.00 C ATOM 662 OH TYR A 44 -7.015 -3.639 -3.068 1.00 0.00 O ATOM 0 H TYR A 44 -2.217 -6.734 -3.110 1.00 0.00 H new ATOM 0 HA TYR A 44 -1.272 -4.967 -1.089 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.839 -7.588 -0.877 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -2.728 -6.382 0.389 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.827 -4.180 0.145 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.133 -7.168 -2.925 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.698 -2.923 -0.891 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -6.005 -5.913 -3.961 1.00 0.00 H new ATOM 0 HH TYR A 44 -7.327 -4.116 -3.866 1.00 0.00 H new ATOM 672 N CYS A 45 -0.004 -8.003 -0.989 1.00 0.00 N ATOM 673 CA CYS A 45 1.106 -8.785 -0.377 1.00 0.00 C ATOM 674 C CYS A 45 2.440 -8.117 -0.722 1.00 0.00 C ATOM 675 O CYS A 45 3.232 -7.800 0.143 1.00 0.00 O ATOM 676 CB CYS A 45 1.073 -10.206 -0.936 1.00 0.00 C ATOM 677 SG CYS A 45 -0.646 -10.772 -0.987 1.00 0.00 S ATOM 0 H CYS A 45 -0.536 -8.495 -1.706 1.00 0.00 H new ATOM 0 HA CYS A 45 0.993 -8.818 0.707 1.00 0.00 H new ATOM 0 HB2 CYS A 45 1.508 -10.229 -1.935 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.671 -10.871 -0.313 1.00 0.00 H new ATOM 682 N ALA A 46 2.687 -7.900 -1.984 1.00 0.00 N ATOM 683 CA ALA A 46 3.960 -7.251 -2.408 1.00 0.00 C ATOM 684 C ALA A 46 4.058 -5.839 -1.816 1.00 0.00 C ATOM 685 O ALA A 46 5.073 -5.445 -1.274 1.00 0.00 O ATOM 686 CB ALA A 46 3.983 -7.163 -3.935 1.00 0.00 C ATOM 0 H ALA A 46 2.056 -8.147 -2.747 1.00 0.00 H new ATOM 0 HA ALA A 46 4.804 -7.841 -2.051 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.910 -6.690 -4.258 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.921 -8.166 -4.358 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.135 -6.571 -4.278 1.00 0.00 H new ATOM 692 N ALA A 47 3.018 -5.067 -1.924 1.00 0.00 N ATOM 693 CA ALA A 47 3.062 -3.683 -1.375 1.00 0.00 C ATOM 694 C ALA A 47 3.290 -3.721 0.140 1.00 0.00 C ATOM 695 O ALA A 47 3.996 -2.899 0.691 1.00 0.00 O ATOM 696 CB ALA A 47 1.741 -2.971 -1.675 1.00 0.00 C ATOM 0 H ALA A 47 2.139 -5.332 -2.368 1.00 0.00 H new ATOM 0 HA ALA A 47 3.885 -3.143 -1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.774 -1.958 -1.273 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.587 -2.928 -2.753 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.920 -3.518 -1.213 1.00 0.00 H new ATOM 702 N LEU A 48 2.677 -4.647 0.824 1.00 0.00 N ATOM 703 CA LEU A 48 2.833 -4.706 2.306 1.00 0.00 C ATOM 704 C LEU A 48 4.304 -4.905 2.694 1.00 0.00 C ATOM 705 O LEU A 48 4.828 -4.194 3.527 1.00 0.00 O ATOM 706 CB LEU A 48 1.999 -5.875 2.844 1.00 0.00 C ATOM 707 CG LEU A 48 2.252 -6.073 4.347 1.00 0.00 C ATOM 708 CD1 LEU A 48 2.046 -4.751 5.097 1.00 0.00 C ATOM 709 CD2 LEU A 48 1.274 -7.122 4.883 1.00 0.00 C ATOM 0 H LEU A 48 2.075 -5.365 0.422 1.00 0.00 H new ATOM 0 HA LEU A 48 2.490 -3.765 2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.940 -5.684 2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.251 -6.788 2.304 1.00 0.00 H new ATOM 0 HG LEU A 48 3.278 -6.407 4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.228 -4.904 6.161 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.740 -4.003 4.714 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.023 -4.405 4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.446 -7.269 5.949 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.251 -6.780 4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.427 -8.065 4.357 1.00 0.00 H new ATOM 721 N GLU A 49 4.977 -5.863 2.116 1.00 0.00 N ATOM 722 CA GLU A 49 6.408 -6.085 2.485 1.00 0.00 C ATOM 723 C GLU A 49 7.235 -4.831 2.190 1.00 0.00 C ATOM 724 O GLU A 49 8.126 -4.480 2.935 1.00 0.00 O ATOM 725 CB GLU A 49 6.976 -7.279 1.712 1.00 0.00 C ATOM 726 CG GLU A 49 6.630 -7.152 0.231 1.00 0.00 C ATOM 727 CD GLU A 49 7.284 -8.297 -0.543 1.00 0.00 C ATOM 728 OE1 GLU A 49 8.503 -8.353 -0.563 1.00 0.00 O ATOM 729 OE2 GLU A 49 6.555 -9.099 -1.102 1.00 0.00 O ATOM 0 H GLU A 49 4.604 -6.497 1.410 1.00 0.00 H new ATOM 0 HA GLU A 49 6.461 -6.298 3.553 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.058 -7.324 1.839 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.569 -8.208 2.111 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.549 -7.177 0.095 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.977 -6.193 -0.154 1.00 0.00 H new ATOM 736 N SER A 50 6.959 -4.153 1.110 1.00 0.00 N ATOM 737 CA SER A 50 7.752 -2.931 0.788 1.00 0.00 C ATOM 738 C SER A 50 7.607 -1.905 1.917 1.00 0.00 C ATOM 739 O SER A 50 8.556 -1.246 2.296 1.00 0.00 O ATOM 740 CB SER A 50 7.231 -2.323 -0.513 1.00 0.00 C ATOM 741 OG SER A 50 7.376 -3.270 -1.564 1.00 0.00 O ATOM 0 H SER A 50 6.226 -4.389 0.441 1.00 0.00 H new ATOM 0 HA SER A 50 8.802 -3.201 0.678 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.184 -2.042 -0.403 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.782 -1.413 -0.749 1.00 0.00 H new ATOM 0 HG SER A 50 6.675 -3.951 -1.490 1.00 0.00 H new ATOM 747 N LEU A 51 6.428 -1.765 2.456 1.00 0.00 N ATOM 748 CA LEU A 51 6.220 -0.786 3.562 1.00 0.00 C ATOM 749 C LEU A 51 6.924 -1.273 4.834 1.00 0.00 C ATOM 750 O LEU A 51 7.434 -0.490 5.609 1.00 0.00 O ATOM 751 CB LEU A 51 4.723 -0.624 3.826 1.00 0.00 C ATOM 752 CG LEU A 51 4.063 0.118 2.652 1.00 0.00 C ATOM 753 CD1 LEU A 51 2.542 0.095 2.838 1.00 0.00 C ATOM 754 CD2 LEU A 51 4.558 1.581 2.583 1.00 0.00 C ATOM 0 H LEU A 51 5.597 -2.287 2.178 1.00 0.00 H new ATOM 0 HA LEU A 51 6.642 0.176 3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.260 -1.602 3.956 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.566 -0.071 4.752 1.00 0.00 H new ATOM 0 HG LEU A 51 4.333 -0.380 1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.066 0.619 2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.194 -0.938 2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.283 0.587 3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.079 2.088 1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.306 2.095 3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.639 1.593 2.444 1.00 0.00 H new ATOM 766 N ILE A 52 6.944 -2.560 5.061 1.00 0.00 N ATOM 767 CA ILE A 52 7.604 -3.093 6.291 1.00 0.00 C ATOM 768 C ILE A 52 9.036 -2.556 6.374 1.00 0.00 C ATOM 769 O ILE A 52 9.668 -2.614 7.410 1.00 0.00 O ATOM 770 CB ILE A 52 7.611 -4.634 6.241 1.00 0.00 C ATOM 771 CG1 ILE A 52 6.183 -5.181 6.445 1.00 0.00 C ATOM 772 CG2 ILE A 52 8.542 -5.203 7.314 1.00 0.00 C ATOM 773 CD1 ILE A 52 5.602 -4.762 7.808 1.00 0.00 C ATOM 0 H ILE A 52 6.533 -3.265 4.449 1.00 0.00 H new ATOM 0 HA ILE A 52 7.055 -2.771 7.175 1.00 0.00 H new ATOM 0 HB ILE A 52 7.975 -4.943 5.261 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.536 -4.817 5.646 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.196 -6.269 6.374 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.534 -6.292 7.263 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.556 -4.840 7.146 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.201 -4.883 8.299 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.595 -5.166 7.914 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.234 -5.148 8.607 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.564 -3.674 7.869 1.00 0.00 H new ATOM 785 N ASN A 53 9.551 -2.022 5.300 1.00 0.00 N ATOM 786 CA ASN A 53 10.938 -1.472 5.337 1.00 0.00 C ATOM 787 C ASN A 53 10.899 -0.037 5.870 1.00 0.00 C ATOM 788 O ASN A 53 11.911 0.529 6.232 1.00 0.00 O ATOM 789 CB ASN A 53 11.532 -1.484 3.924 1.00 0.00 C ATOM 790 CG ASN A 53 11.860 -2.924 3.521 1.00 0.00 C ATOM 791 OD1 ASN A 53 12.042 -3.777 4.368 1.00 0.00 O ATOM 792 ND2 ASN A 53 11.946 -3.233 2.256 1.00 0.00 N ATOM 0 H ASN A 53 9.074 -1.942 4.402 1.00 0.00 H new ATOM 0 HA ASN A 53 11.558 -2.085 5.991 1.00 0.00 H new ATOM 0 HB2 ASN A 53 10.825 -1.049 3.217 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.433 -0.872 3.891 1.00 0.00 H new ATOM 0 HD21 ASN A 53 12.166 -4.190 1.978 1.00 0.00 H new ATOM 0 HD22 ASN A 53 11.793 -2.518 1.545 1.00 0.00 H new ATOM 799 N VAL A 54 9.732 0.553 5.930 1.00 0.00 N ATOM 800 CA VAL A 54 9.613 1.950 6.449 1.00 0.00 C ATOM 801 C VAL A 54 9.281 1.913 7.944 1.00 0.00 C ATOM 802 O VAL A 54 8.314 1.304 8.354 1.00 0.00 O ATOM 803 CB VAL A 54 8.494 2.675 5.702 1.00 0.00 C ATOM 804 CG1 VAL A 54 8.542 4.167 6.035 1.00 0.00 C ATOM 805 CG2 VAL A 54 8.675 2.481 4.196 1.00 0.00 C ATOM 0 H VAL A 54 8.852 0.125 5.641 1.00 0.00 H new ATOM 0 HA VAL A 54 10.556 2.475 6.297 1.00 0.00 H new ATOM 0 HB VAL A 54 7.530 2.266 6.006 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.744 4.685 5.502 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.411 4.305 7.108 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.506 4.577 5.732 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.877 2.998 3.664 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.638 2.889 3.890 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.639 1.418 3.959 1.00 0.00 H new ATOM 815 N SER A 55 10.077 2.562 8.759 1.00 0.00 N ATOM 816 CA SER A 55 9.820 2.574 10.238 1.00 0.00 C ATOM 817 C SER A 55 9.848 4.018 10.750 1.00 0.00 C ATOM 818 O SER A 55 10.485 4.878 10.176 1.00 0.00 O ATOM 819 CB SER A 55 10.908 1.765 10.947 1.00 0.00 C ATOM 820 OG SER A 55 10.926 0.444 10.422 1.00 0.00 O ATOM 0 H SER A 55 10.899 3.088 8.463 1.00 0.00 H new ATOM 0 HA SER A 55 8.844 2.134 10.441 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.880 2.238 10.806 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.718 1.740 12.020 1.00 0.00 H new ATOM 0 HG SER A 55 11.623 -0.077 10.872 1.00 0.00 H new ATOM 826 N GLY A 56 9.164 4.289 11.831 1.00 0.00 N ATOM 827 CA GLY A 56 9.151 5.679 12.389 1.00 0.00 C ATOM 828 C GLY A 56 7.969 6.462 11.810 1.00 0.00 C ATOM 829 O GLY A 56 7.688 7.569 12.226 1.00 0.00 O ATOM 0 H GLY A 56 8.612 3.609 12.354 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.077 5.643 13.476 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.086 6.185 12.149 1.00 0.00 H new ATOM 833 N CYS A 57 7.274 5.897 10.854 1.00 0.00 N ATOM 834 CA CYS A 57 6.105 6.604 10.241 1.00 0.00 C ATOM 835 C CYS A 57 4.801 6.055 10.837 1.00 0.00 C ATOM 836 O CYS A 57 4.258 5.070 10.377 1.00 0.00 O ATOM 837 CB CYS A 57 6.125 6.381 8.727 1.00 0.00 C ATOM 838 SG CYS A 57 7.658 7.065 8.043 1.00 0.00 S ATOM 0 H CYS A 57 7.466 4.972 10.469 1.00 0.00 H new ATOM 0 HA CYS A 57 6.166 7.672 10.451 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.056 5.316 8.503 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.261 6.860 8.266 1.00 0.00 H new ATOM 843 N SER A 58 4.303 6.688 11.865 1.00 0.00 N ATOM 844 CA SER A 58 3.038 6.223 12.512 1.00 0.00 C ATOM 845 C SER A 58 1.838 6.473 11.596 1.00 0.00 C ATOM 846 O SER A 58 0.909 5.690 11.544 1.00 0.00 O ATOM 847 CB SER A 58 2.839 6.982 13.824 1.00 0.00 C ATOM 848 OG SER A 58 1.719 6.443 14.513 1.00 0.00 O ATOM 0 H SER A 58 4.721 7.516 12.290 1.00 0.00 H new ATOM 0 HA SER A 58 3.113 5.152 12.703 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.733 6.903 14.442 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.682 8.042 13.624 1.00 0.00 H new ATOM 0 HG SER A 58 1.779 5.465 14.519 1.00 0.00 H new ATOM 854 N ALA A 59 1.833 7.573 10.903 1.00 0.00 N ATOM 855 CA ALA A 59 0.680 7.903 10.017 1.00 0.00 C ATOM 856 C ALA A 59 0.348 6.740 9.071 1.00 0.00 C ATOM 857 O ALA A 59 -0.770 6.626 8.609 1.00 0.00 O ATOM 858 CB ALA A 59 1.023 9.142 9.191 1.00 0.00 C ATOM 0 H ALA A 59 2.582 8.265 10.910 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.192 8.090 10.644 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.184 9.389 8.540 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.224 9.980 9.858 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.906 8.942 8.584 1.00 0.00 H new ATOM 864 N ILE A 60 1.299 5.885 8.759 1.00 0.00 N ATOM 865 CA ILE A 60 1.008 4.748 7.817 1.00 0.00 C ATOM 866 C ILE A 60 0.822 3.429 8.579 1.00 0.00 C ATOM 867 O ILE A 60 0.503 2.416 7.993 1.00 0.00 O ATOM 868 CB ILE A 60 2.148 4.621 6.793 1.00 0.00 C ATOM 869 CG1 ILE A 60 3.465 4.231 7.480 1.00 0.00 C ATOM 870 CG2 ILE A 60 2.335 5.965 6.084 1.00 0.00 C ATOM 871 CD1 ILE A 60 4.508 3.884 6.413 1.00 0.00 C ATOM 0 H ILE A 60 2.255 5.923 9.112 1.00 0.00 H new ATOM 0 HA ILE A 60 0.076 4.962 7.294 1.00 0.00 H new ATOM 0 HB ILE A 60 1.885 3.843 6.077 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.822 5.053 8.101 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.306 3.379 8.140 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.142 5.883 5.356 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.412 6.238 5.573 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.585 6.732 6.817 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.445 3.607 6.896 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.149 3.049 5.811 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.673 4.749 5.771 1.00 0.00 H new ATOM 883 N GLU A 61 1.001 3.418 9.872 1.00 0.00 N ATOM 884 CA GLU A 61 0.803 2.137 10.613 1.00 0.00 C ATOM 885 C GLU A 61 -0.636 1.670 10.404 1.00 0.00 C ATOM 886 O GLU A 61 -0.894 0.507 10.173 1.00 0.00 O ATOM 887 CB GLU A 61 1.069 2.346 12.106 1.00 0.00 C ATOM 888 CG GLU A 61 2.577 2.397 12.354 1.00 0.00 C ATOM 889 CD GLU A 61 2.841 2.815 13.800 1.00 0.00 C ATOM 890 OE1 GLU A 61 1.880 3.085 14.502 1.00 0.00 O ATOM 891 OE2 GLU A 61 3.998 2.855 14.184 1.00 0.00 O ATOM 0 H GLU A 61 1.270 4.222 10.439 1.00 0.00 H new ATOM 0 HA GLU A 61 1.498 1.385 10.239 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.603 3.272 12.443 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.622 1.536 12.683 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.022 1.421 12.159 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.046 3.103 11.669 1.00 0.00 H new ATOM 898 N LYS A 62 -1.575 2.571 10.455 1.00 0.00 N ATOM 899 CA LYS A 62 -2.993 2.170 10.225 1.00 0.00 C ATOM 900 C LYS A 62 -3.110 1.572 8.826 1.00 0.00 C ATOM 901 O LYS A 62 -3.808 0.602 8.606 1.00 0.00 O ATOM 902 CB LYS A 62 -3.911 3.385 10.352 1.00 0.00 C ATOM 903 CG LYS A 62 -3.963 3.816 11.815 1.00 0.00 C ATOM 904 CD LYS A 62 -4.880 5.030 11.963 1.00 0.00 C ATOM 905 CE LYS A 62 -4.926 5.455 13.431 1.00 0.00 C ATOM 906 NZ LYS A 62 -6.003 6.465 13.628 1.00 0.00 N ATOM 0 H LYS A 62 -1.426 3.562 10.645 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.293 1.433 10.970 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.543 4.202 9.731 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.912 3.140 9.996 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.328 2.995 12.433 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.961 4.060 12.168 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.516 5.852 11.346 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.883 4.787 11.612 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.108 4.587 14.065 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.964 5.872 13.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.031 6.752 14.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.811 7.297 13.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.919 6.052 13.360 1.00 0.00 H new ATOM 920 N THR A 63 -2.422 2.144 7.879 1.00 0.00 N ATOM 921 CA THR A 63 -2.479 1.613 6.493 1.00 0.00 C ATOM 922 C THR A 63 -1.990 0.162 6.491 1.00 0.00 C ATOM 923 O THR A 63 -2.515 -0.676 5.787 1.00 0.00 O ATOM 924 CB THR A 63 -1.594 2.460 5.574 1.00 0.00 C ATOM 925 OG1 THR A 63 -2.055 3.803 5.584 1.00 0.00 O ATOM 926 CG2 THR A 63 -1.660 1.908 4.150 1.00 0.00 C ATOM 0 H THR A 63 -1.822 2.958 8.007 1.00 0.00 H new ATOM 0 HA THR A 63 -3.506 1.654 6.129 1.00 0.00 H new ATOM 0 HB THR A 63 -0.563 2.426 5.927 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.489 4.348 4.998 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.030 2.511 3.496 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.308 0.877 4.143 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.690 1.942 3.794 1.00 0.00 H new ATOM 934 N GLN A 64 -0.984 -0.144 7.269 1.00 0.00 N ATOM 935 CA GLN A 64 -0.463 -1.541 7.294 1.00 0.00 C ATOM 936 C GLN A 64 -1.576 -2.498 7.729 1.00 0.00 C ATOM 937 O GLN A 64 -1.739 -3.566 7.172 1.00 0.00 O ATOM 938 CB GLN A 64 0.690 -1.637 8.300 1.00 0.00 C ATOM 939 CG GLN A 64 1.907 -0.881 7.768 1.00 0.00 C ATOM 940 CD GLN A 64 2.493 -1.638 6.581 1.00 0.00 C ATOM 941 OE1 GLN A 64 3.165 -2.635 6.754 1.00 0.00 O ATOM 942 NE2 GLN A 64 2.261 -1.205 5.374 1.00 0.00 N ATOM 0 H GLN A 64 -0.503 0.511 7.885 1.00 0.00 H new ATOM 0 HA GLN A 64 -0.113 -1.810 6.297 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.383 -1.221 9.259 1.00 0.00 H new ATOM 0 HB3 GLN A 64 0.947 -2.682 8.474 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.620 0.126 7.466 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.656 -0.777 8.553 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.696 -0.367 5.232 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.644 -1.704 4.571 1.00 0.00 H new ATOM 951 N ARG A 65 -2.348 -2.130 8.714 1.00 0.00 N ATOM 952 CA ARG A 65 -3.447 -3.031 9.167 1.00 0.00 C ATOM 953 C ARG A 65 -4.450 -3.245 8.030 1.00 0.00 C ATOM 954 O ARG A 65 -4.876 -4.351 7.763 1.00 0.00 O ATOM 955 CB ARG A 65 -4.180 -2.398 10.351 1.00 0.00 C ATOM 956 CG ARG A 65 -3.285 -2.399 11.592 1.00 0.00 C ATOM 957 CD ARG A 65 -4.047 -1.758 12.756 1.00 0.00 C ATOM 958 NE ARG A 65 -3.198 -1.758 13.981 1.00 0.00 N ATOM 959 CZ ARG A 65 -3.516 -0.994 14.993 1.00 0.00 C ATOM 960 NH1 ARG A 65 -4.554 -0.205 14.915 1.00 0.00 N ATOM 961 NH2 ARG A 65 -2.794 -1.017 16.080 1.00 0.00 N ATOM 0 H ARG A 65 -2.267 -1.250 9.223 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.014 -3.987 9.463 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.470 -1.377 10.104 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.098 -2.949 10.556 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.996 -3.419 11.847 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.366 -1.847 11.394 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.329 -0.737 12.499 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.970 -2.306 12.943 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.371 -2.353 14.030 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.117 -0.185 14.064 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.802 0.391 15.705 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.982 -1.631 16.140 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.042 -0.421 16.870 1.00 0.00 H new ATOM 975 N MET A 66 -4.844 -2.188 7.377 1.00 0.00 N ATOM 976 CA MET A 66 -5.835 -2.310 6.273 1.00 0.00 C ATOM 977 C MET A 66 -5.253 -3.147 5.126 1.00 0.00 C ATOM 978 O MET A 66 -5.940 -3.950 4.526 1.00 0.00 O ATOM 979 CB MET A 66 -6.211 -0.906 5.779 1.00 0.00 C ATOM 980 CG MET A 66 -7.043 -0.196 6.861 1.00 0.00 C ATOM 981 SD MET A 66 -7.728 1.351 6.210 1.00 0.00 S ATOM 982 CE MET A 66 -6.188 2.299 6.148 1.00 0.00 C ATOM 0 H MET A 66 -4.520 -1.239 7.562 1.00 0.00 H new ATOM 0 HA MET A 66 -6.729 -2.814 6.639 1.00 0.00 H new ATOM 0 HB2 MET A 66 -5.311 -0.331 5.560 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.780 -0.974 4.852 1.00 0.00 H new ATOM 0 HG2 MET A 66 -7.850 -0.848 7.195 1.00 0.00 H new ATOM 0 HG3 MET A 66 -6.420 0.011 7.731 1.00 0.00 H new ATOM 0 HE1 MET A 66 -6.402 3.321 5.836 1.00 0.00 H new ATOM 0 HE2 MET A 66 -5.728 2.310 7.136 1.00 0.00 H new ATOM 0 HE3 MET A 66 -5.505 1.837 5.435 1.00 0.00 H new ATOM 992 N LEU A 67 -3.999 -2.966 4.812 1.00 0.00 N ATOM 993 CA LEU A 67 -3.385 -3.753 3.700 1.00 0.00 C ATOM 994 C LEU A 67 -3.413 -5.249 4.036 1.00 0.00 C ATOM 995 O LEU A 67 -3.662 -6.079 3.185 1.00 0.00 O ATOM 996 CB LEU A 67 -1.932 -3.320 3.502 1.00 0.00 C ATOM 997 CG LEU A 67 -1.868 -1.897 2.926 1.00 0.00 C ATOM 998 CD1 LEU A 67 -0.416 -1.409 2.967 1.00 0.00 C ATOM 999 CD2 LEU A 67 -2.384 -1.875 1.472 1.00 0.00 C ATOM 0 H LEU A 67 -3.372 -2.308 5.276 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.955 -3.572 2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.402 -3.357 4.454 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.428 -4.014 2.829 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.500 -1.241 3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.360 -0.399 2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.063 -1.405 3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.209 -2.075 2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.331 -0.858 1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.769 -2.532 0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.418 -2.219 1.448 1.00 0.00 H new ATOM 1011 N SER A 68 -3.152 -5.601 5.265 1.00 0.00 N ATOM 1012 CA SER A 68 -3.153 -7.044 5.643 1.00 0.00 C ATOM 1013 C SER A 68 -4.536 -7.635 5.373 1.00 0.00 C ATOM 1014 O SER A 68 -4.667 -8.753 4.914 1.00 0.00 O ATOM 1015 CB SER A 68 -2.822 -7.185 7.129 1.00 0.00 C ATOM 1016 OG SER A 68 -1.457 -6.845 7.338 1.00 0.00 O ATOM 0 H SER A 68 -2.938 -4.953 6.023 1.00 0.00 H new ATOM 0 HA SER A 68 -2.405 -7.575 5.054 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.466 -6.534 7.721 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.010 -8.206 7.460 1.00 0.00 H new ATOM 0 HG SER A 68 -1.358 -5.870 7.333 1.00 0.00 H new ATOM 1022 N GLY A 69 -5.567 -6.898 5.663 1.00 0.00 N ATOM 1023 CA GLY A 69 -6.942 -7.418 5.432 1.00 0.00 C ATOM 1024 C GLY A 69 -7.053 -7.999 4.018 1.00 0.00 C ATOM 1025 O GLY A 69 -7.875 -8.855 3.758 1.00 0.00 O ATOM 0 H GLY A 69 -5.519 -5.956 6.051 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.178 -8.186 6.169 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.669 -6.617 5.563 1.00 0.00 H new ATOM 1029 N PHE A 70 -6.240 -7.542 3.097 1.00 0.00 N ATOM 1030 CA PHE A 70 -6.316 -8.075 1.700 1.00 0.00 C ATOM 1031 C PHE A 70 -5.291 -9.195 1.505 1.00 0.00 C ATOM 1032 O PHE A 70 -5.372 -9.958 0.563 1.00 0.00 O ATOM 1033 CB PHE A 70 -6.027 -6.946 0.711 1.00 0.00 C ATOM 1034 CG PHE A 70 -7.158 -5.951 0.756 1.00 0.00 C ATOM 1035 CD1 PHE A 70 -8.274 -6.126 -0.070 1.00 0.00 C ATOM 1036 CD2 PHE A 70 -7.091 -4.854 1.623 1.00 0.00 C ATOM 1037 CE1 PHE A 70 -9.326 -5.204 -0.028 1.00 0.00 C ATOM 1038 CE2 PHE A 70 -8.143 -3.931 1.666 1.00 0.00 C ATOM 1039 CZ PHE A 70 -9.261 -4.106 0.840 1.00 0.00 C ATOM 0 H PHE A 70 -5.530 -6.826 3.251 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.315 -8.474 1.526 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.086 -6.457 0.963 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.919 -7.347 -0.297 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.323 -6.972 -0.739 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.228 -4.720 2.259 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -10.188 -5.339 -0.665 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.093 -3.085 2.335 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.073 -3.394 0.872 1.00 0.00 H new ATOM 1049 N CYS A 71 -4.328 -9.308 2.385 1.00 0.00 N ATOM 1050 CA CYS A 71 -3.302 -10.390 2.244 1.00 0.00 C ATOM 1051 C CYS A 71 -2.901 -10.919 3.638 1.00 0.00 C ATOM 1052 O CYS A 71 -2.083 -10.310 4.298 1.00 0.00 O ATOM 1053 CB CYS A 71 -2.054 -9.836 1.546 1.00 0.00 C ATOM 1054 SG CYS A 71 -1.065 -11.228 0.935 1.00 0.00 S ATOM 0 H CYS A 71 -4.207 -8.699 3.194 1.00 0.00 H new ATOM 0 HA CYS A 71 -3.727 -11.200 1.652 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -2.340 -9.185 0.720 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -1.469 -9.233 2.240 1.00 0.00 H new ATOM 1059 N PRO A 72 -3.450 -12.038 4.092 1.00 0.00 N ATOM 1060 CA PRO A 72 -3.076 -12.611 5.430 1.00 0.00 C ATOM 1061 C PRO A 72 -1.572 -12.920 5.534 1.00 0.00 C ATOM 1062 O PRO A 72 -1.175 -13.930 6.081 1.00 0.00 O ATOM 1063 CB PRO A 72 -3.901 -13.912 5.469 1.00 0.00 C ATOM 1064 CG PRO A 72 -4.962 -13.835 4.362 1.00 0.00 C ATOM 1065 CD PRO A 72 -4.483 -12.807 3.329 1.00 0.00 C ATOM 0 HA PRO A 72 -3.275 -11.925 6.254 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.255 -14.777 5.318 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.375 -14.034 6.443 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.100 -14.810 3.896 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.926 -13.541 4.776 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.062 -13.286 2.445 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.296 -12.166 2.987 1.00 0.00 H new ATOM 1073 N HIS A 73 -0.743 -12.091 4.971 1.00 0.00 N ATOM 1074 CA HIS A 73 0.723 -12.358 4.983 1.00 0.00 C ATOM 1075 C HIS A 73 1.401 -11.745 6.214 1.00 0.00 C ATOM 1076 O HIS A 73 1.576 -10.546 6.303 1.00 0.00 O ATOM 1077 CB HIS A 73 1.324 -11.734 3.701 1.00 0.00 C ATOM 1078 CG HIS A 73 2.181 -12.731 2.985 1.00 0.00 C ATOM 1079 ND1 HIS A 73 3.547 -12.801 3.177 1.00 0.00 N ATOM 1080 CD2 HIS A 73 1.871 -13.705 2.080 1.00 0.00 C ATOM 1081 CE1 HIS A 73 4.013 -13.790 2.401 1.00 0.00 C ATOM 1082 NE2 HIS A 73 3.032 -14.380 1.706 1.00 0.00 N ATOM 0 H HIS A 73 -1.019 -11.231 4.498 1.00 0.00 H new ATOM 0 HA HIS A 73 0.891 -13.434 5.020 1.00 0.00 H new ATOM 0 HB2 HIS A 73 0.523 -11.396 3.044 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.916 -10.856 3.960 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.879 -13.920 1.711 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.053 -14.076 2.343 1.00 0.00 H new ATOM 0 HE2 HIS A 73 3.116 -15.154 1.047 1.00 0.00 H new ATOM 1090 N LYS A 74 1.837 -12.562 7.132 1.00 0.00 N ATOM 1091 CA LYS A 74 2.563 -12.020 8.312 1.00 0.00 C ATOM 1092 C LYS A 74 4.009 -11.792 7.868 1.00 0.00 C ATOM 1093 O LYS A 74 4.830 -12.688 7.914 1.00 0.00 O ATOM 1094 CB LYS A 74 2.526 -13.035 9.461 1.00 0.00 C ATOM 1095 CG LYS A 74 1.072 -13.375 9.820 1.00 0.00 C ATOM 1096 CD LYS A 74 0.356 -12.133 10.369 1.00 0.00 C ATOM 1097 CE LYS A 74 -0.885 -12.559 11.159 1.00 0.00 C ATOM 1098 NZ LYS A 74 -0.465 -13.319 12.368 1.00 0.00 N ATOM 0 H LYS A 74 1.723 -13.575 7.116 1.00 0.00 H new ATOM 0 HA LYS A 74 2.106 -11.095 8.664 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.059 -13.941 9.173 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.038 -12.628 10.333 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.549 -13.745 8.938 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.050 -14.174 10.562 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.031 -11.567 11.011 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.069 -11.475 9.549 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.463 -11.682 11.450 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.533 -13.175 10.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.152 -13.163 13.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.422 -14.333 12.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.474 -12.993 12.674 1.00 0.00 H new ATOM 1112 N VAL A 75 4.322 -10.612 7.403 1.00 0.00 N ATOM 1113 CA VAL A 75 5.708 -10.340 6.914 1.00 0.00 C ATOM 1114 C VAL A 75 6.561 -9.750 8.035 1.00 0.00 C ATOM 1115 O VAL A 75 6.162 -8.827 8.717 1.00 0.00 O ATOM 1116 CB VAL A 75 5.645 -9.332 5.765 1.00 0.00 C ATOM 1117 CG1 VAL A 75 7.038 -9.158 5.155 1.00 0.00 C ATOM 1118 CG2 VAL A 75 4.687 -9.840 4.689 1.00 0.00 C ATOM 0 H VAL A 75 3.678 -9.823 7.340 1.00 0.00 H new ATOM 0 HA VAL A 75 6.153 -11.277 6.578 1.00 0.00 H new ATOM 0 HB VAL A 75 5.292 -8.375 6.149 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.990 -8.439 4.337 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.726 -8.794 5.918 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.391 -10.117 4.775 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.644 -9.120 3.871 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.041 -10.799 4.310 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.692 -9.964 5.117 1.00 0.00 H new ATOM 1128 N SER A 76 7.748 -10.269 8.212 1.00 0.00 N ATOM 1129 CA SER A 76 8.665 -9.743 9.267 1.00 0.00 C ATOM 1130 C SER A 76 9.762 -8.916 8.593 1.00 0.00 C ATOM 1131 O SER A 76 10.068 -9.104 7.432 1.00 0.00 O ATOM 1132 CB SER A 76 9.299 -10.914 10.018 1.00 0.00 C ATOM 1133 OG SER A 76 8.299 -11.581 10.776 1.00 0.00 O ATOM 0 H SER A 76 8.125 -11.043 7.665 1.00 0.00 H new ATOM 0 HA SER A 76 8.109 -9.123 9.971 1.00 0.00 H new ATOM 0 HB2 SER A 76 9.760 -11.606 9.313 1.00 0.00 H new ATOM 0 HB3 SER A 76 10.090 -10.554 10.675 1.00 0.00 H new ATOM 0 HG SER A 76 8.701 -12.334 11.258 1.00 0.00 H new ATOM 1139 N ALA A 77 10.354 -7.999 9.305 1.00 0.00 N ATOM 1140 CA ALA A 77 11.425 -7.160 8.698 1.00 0.00 C ATOM 1141 C ALA A 77 12.559 -8.054 8.193 1.00 0.00 C ATOM 1142 O ALA A 77 13.458 -7.601 7.513 1.00 0.00 O ATOM 1143 CB ALA A 77 11.968 -6.191 9.750 1.00 0.00 C ATOM 0 H ALA A 77 10.143 -7.794 10.282 1.00 0.00 H new ATOM 0 HA ALA A 77 11.012 -6.597 7.861 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.752 -5.576 9.308 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.161 -5.550 10.105 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.378 -6.756 10.587 1.00 0.00 H new ATOM 1149 N GLY A 78 12.523 -9.323 8.517 1.00 0.00 N ATOM 1150 CA GLY A 78 13.599 -10.257 8.055 1.00 0.00 C ATOM 1151 C GLY A 78 13.072 -11.115 6.904 1.00 0.00 C ATOM 1152 O GLY A 78 13.811 -11.518 6.029 1.00 0.00 O ATOM 0 H GLY A 78 11.793 -9.755 9.083 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.472 -9.691 7.730 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.921 -10.894 8.879 1.00 0.00 H new ATOM 1156 N GLN A 79 11.798 -11.405 6.900 1.00 0.00 N ATOM 1157 CA GLN A 79 11.218 -12.246 5.808 1.00 0.00 C ATOM 1158 C GLN A 79 10.687 -11.351 4.682 1.00 0.00 C ATOM 1159 O GLN A 79 9.854 -10.494 4.900 1.00 0.00 O ATOM 1160 CB GLN A 79 10.070 -13.084 6.376 1.00 0.00 C ATOM 1161 CG GLN A 79 10.636 -14.156 7.313 1.00 0.00 C ATOM 1162 CD GLN A 79 9.489 -14.967 7.919 1.00 0.00 C ATOM 1163 OE1 GLN A 79 8.376 -14.490 8.018 1.00 0.00 O ATOM 1164 NE2 GLN A 79 9.716 -16.185 8.330 1.00 0.00 N ATOM 0 H GLN A 79 11.131 -11.096 7.607 1.00 0.00 H new ATOM 0 HA GLN A 79 11.992 -12.900 5.407 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.372 -12.445 6.917 1.00 0.00 H new ATOM 0 HB3 GLN A 79 9.511 -13.552 5.565 1.00 0.00 H new ATOM 0 HG2 GLN A 79 11.309 -14.814 6.764 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.222 -13.689 8.104 1.00 0.00 H new ATOM 0 HE21 GLN A 79 10.650 -16.585 8.247 1.00 0.00 H new ATOM 0 HE22 GLN A 79 8.959 -16.736 8.734 1.00 0.00 H new ATOM 1173 N PHE A 80 11.159 -11.557 3.475 1.00 0.00 N ATOM 1174 CA PHE A 80 10.688 -10.740 2.308 1.00 0.00 C ATOM 1175 C PHE A 80 10.286 -11.684 1.175 1.00 0.00 C ATOM 1176 O PHE A 80 10.800 -12.780 1.070 1.00 0.00 O ATOM 1177 CB PHE A 80 11.815 -9.827 1.827 1.00 0.00 C ATOM 1178 CG PHE A 80 12.142 -8.820 2.903 1.00 0.00 C ATOM 1179 CD1 PHE A 80 11.331 -7.692 3.073 1.00 0.00 C ATOM 1180 CD2 PHE A 80 13.256 -9.012 3.728 1.00 0.00 C ATOM 1181 CE1 PHE A 80 11.633 -6.755 4.068 1.00 0.00 C ATOM 1182 CE2 PHE A 80 13.559 -8.076 4.723 1.00 0.00 C ATOM 1183 CZ PHE A 80 12.748 -6.947 4.893 1.00 0.00 C ATOM 0 H PHE A 80 11.858 -12.264 3.245 1.00 0.00 H new ATOM 0 HA PHE A 80 9.836 -10.130 2.609 1.00 0.00 H new ATOM 0 HB2 PHE A 80 12.699 -10.418 1.587 1.00 0.00 H new ATOM 0 HB3 PHE A 80 11.517 -9.314 0.913 1.00 0.00 H new ATOM 0 HD1 PHE A 80 10.471 -7.544 2.436 1.00 0.00 H new ATOM 0 HD2 PHE A 80 13.882 -9.882 3.597 1.00 0.00 H new ATOM 0 HE1 PHE A 80 11.007 -5.885 4.199 1.00 0.00 H new ATOM 0 HE2 PHE A 80 14.418 -8.224 5.360 1.00 0.00 H new ATOM 0 HZ PHE A 80 12.983 -6.224 5.661 1.00 0.00 H new ATOM 1193 N SER A 81 9.353 -11.279 0.340 1.00 0.00 N ATOM 1194 CA SER A 81 8.898 -12.164 -0.783 1.00 0.00 C ATOM 1195 C SER A 81 9.081 -11.481 -2.149 1.00 0.00 C ATOM 1196 O SER A 81 9.385 -12.134 -3.128 1.00 0.00 O ATOM 1197 CB SER A 81 7.418 -12.488 -0.589 1.00 0.00 C ATOM 1198 OG SER A 81 7.214 -12.991 0.725 1.00 0.00 O ATOM 0 H SER A 81 8.887 -10.373 0.389 1.00 0.00 H new ATOM 0 HA SER A 81 9.502 -13.071 -0.769 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.815 -11.594 -0.746 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.096 -13.223 -1.326 1.00 0.00 H new ATOM 0 HG SER A 81 6.265 -13.198 0.852 1.00 0.00 H new ATOM 1204 N SER A 82 8.854 -10.187 -2.241 1.00 0.00 N ATOM 1205 CA SER A 82 8.967 -9.486 -3.571 1.00 0.00 C ATOM 1206 C SER A 82 10.207 -8.586 -3.658 1.00 0.00 C ATOM 1207 O SER A 82 10.394 -7.891 -4.637 1.00 0.00 O ATOM 1208 CB SER A 82 7.719 -8.628 -3.781 1.00 0.00 C ATOM 1209 OG SER A 82 7.687 -8.170 -5.127 1.00 0.00 O ATOM 0 H SER A 82 8.596 -9.587 -1.458 1.00 0.00 H new ATOM 0 HA SER A 82 9.060 -10.251 -4.342 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.823 -9.208 -3.560 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.727 -7.780 -3.096 1.00 0.00 H new ATOM 0 HG SER A 82 8.576 -7.847 -5.384 1.00 0.00 H new ATOM 1215 N LEU A 83 11.057 -8.574 -2.670 1.00 0.00 N ATOM 1216 CA LEU A 83 12.267 -7.693 -2.754 1.00 0.00 C ATOM 1217 C LEU A 83 13.410 -8.440 -3.457 1.00 0.00 C ATOM 1218 O LEU A 83 14.544 -8.003 -3.444 1.00 0.00 O ATOM 1219 CB LEU A 83 12.725 -7.282 -1.348 1.00 0.00 C ATOM 1220 CG LEU A 83 11.622 -6.506 -0.604 1.00 0.00 C ATOM 1221 CD1 LEU A 83 12.199 -5.967 0.711 1.00 0.00 C ATOM 1222 CD2 LEU A 83 11.113 -5.330 -1.456 1.00 0.00 C ATOM 0 H LEU A 83 10.974 -9.126 -1.816 1.00 0.00 H new ATOM 0 HA LEU A 83 12.006 -6.801 -3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 83 12.996 -8.170 -0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 83 13.621 -6.665 -1.421 1.00 0.00 H new ATOM 0 HG LEU A 83 10.786 -7.177 -0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 83 11.427 -5.415 1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 83 12.544 -6.799 1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.037 -5.303 0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 83 10.335 -4.796 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 83 11.938 -4.651 -1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 83 10.705 -5.709 -2.393 1.00 0.00 H new ATOM 1234 N HIS A 84 13.129 -9.560 -4.073 1.00 0.00 N ATOM 1235 CA HIS A 84 14.215 -10.314 -4.768 1.00 0.00 C ATOM 1236 C HIS A 84 14.547 -9.620 -6.092 1.00 0.00 C ATOM 1237 O HIS A 84 15.598 -9.825 -6.667 1.00 0.00 O ATOM 1238 CB HIS A 84 13.750 -11.744 -5.063 1.00 0.00 C ATOM 1239 CG HIS A 84 12.957 -12.265 -3.905 1.00 0.00 C ATOM 1240 ND1 HIS A 84 13.040 -11.716 -2.638 1.00 0.00 N ATOM 1241 CD2 HIS A 84 12.044 -13.281 -3.816 1.00 0.00 C ATOM 1242 CE1 HIS A 84 12.196 -12.399 -1.848 1.00 0.00 C ATOM 1243 NE2 HIS A 84 11.563 -13.367 -2.515 1.00 0.00 N ATOM 0 H HIS A 84 12.202 -9.982 -4.125 1.00 0.00 H new ATOM 0 HA HIS A 84 15.096 -10.341 -4.127 1.00 0.00 H new ATOM 0 HB2 HIS A 84 13.143 -11.760 -5.968 1.00 0.00 H new ATOM 0 HB3 HIS A 84 14.611 -12.387 -5.245 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.743 -13.919 -4.633 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.047 -12.190 -0.799 1.00 0.00 H new ATOM 0 HE2 HIS A 84 10.876 -14.026 -2.149 1.00 0.00 H new ATOM 1251 N VAL A 85 13.653 -8.809 -6.582 1.00 0.00 N ATOM 1252 CA VAL A 85 13.905 -8.110 -7.871 1.00 0.00 C ATOM 1253 C VAL A 85 14.924 -6.994 -7.644 1.00 0.00 C ATOM 1254 O VAL A 85 14.950 -6.368 -6.603 1.00 0.00 O ATOM 1255 CB VAL A 85 12.588 -7.520 -8.384 1.00 0.00 C ATOM 1256 CG1 VAL A 85 12.717 -7.183 -9.871 1.00 0.00 C ATOM 1257 CG2 VAL A 85 11.467 -8.544 -8.188 1.00 0.00 C ATOM 0 H VAL A 85 12.756 -8.600 -6.144 1.00 0.00 H new ATOM 0 HA VAL A 85 14.298 -8.810 -8.608 1.00 0.00 H new ATOM 0 HB VAL A 85 12.357 -6.611 -7.829 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.778 -6.764 -10.232 1.00 0.00 H new ATOM 0 HG12 VAL A 85 13.517 -6.456 -10.011 1.00 0.00 H new ATOM 0 HG13 VAL A 85 12.948 -8.089 -10.431 1.00 0.00 H new ATOM 0 HG21 VAL A 85 10.527 -8.129 -8.552 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.702 -9.452 -8.744 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.373 -8.782 -7.128 1.00 0.00 H new ATOM 1267 N ARG A 86 15.777 -6.744 -8.604 1.00 0.00 N ATOM 1268 CA ARG A 86 16.803 -5.674 -8.430 1.00 0.00 C ATOM 1269 C ARG A 86 16.243 -4.345 -8.931 1.00 0.00 C ATOM 1270 O ARG A 86 16.854 -3.660 -9.727 1.00 0.00 O ATOM 1271 CB ARG A 86 18.054 -6.025 -9.237 1.00 0.00 C ATOM 1272 CG ARG A 86 18.663 -7.323 -8.707 1.00 0.00 C ATOM 1273 CD ARG A 86 19.923 -7.653 -9.508 1.00 0.00 C ATOM 1274 NE ARG A 86 20.916 -6.557 -9.321 1.00 0.00 N ATOM 1275 CZ ARG A 86 22.157 -6.723 -9.687 1.00 0.00 C ATOM 1276 NH1 ARG A 86 22.533 -7.845 -10.240 1.00 0.00 N ATOM 1277 NH2 ARG A 86 23.022 -5.763 -9.502 1.00 0.00 N ATOM 0 H ARG A 86 15.807 -7.233 -9.498 1.00 0.00 H new ATOM 0 HA ARG A 86 17.060 -5.592 -7.374 1.00 0.00 H new ATOM 0 HB2 ARG A 86 17.799 -6.136 -10.291 1.00 0.00 H new ATOM 0 HB3 ARG A 86 18.781 -5.216 -9.168 1.00 0.00 H new ATOM 0 HG2 ARG A 86 18.907 -7.219 -7.650 1.00 0.00 H new ATOM 0 HG3 ARG A 86 17.942 -8.137 -8.789 1.00 0.00 H new ATOM 0 HD2 ARG A 86 20.343 -8.602 -9.176 1.00 0.00 H new ATOM 0 HD3 ARG A 86 19.679 -7.764 -10.565 1.00 0.00 H new ATOM 0 HE ARG A 86 20.624 -5.673 -8.905 1.00 0.00 H new ATOM 0 HH11 ARG A 86 21.856 -8.593 -10.386 1.00 0.00 H new ATOM 0 HH12 ARG A 86 23.504 -7.973 -10.525 1.00 0.00 H new ATOM 0 HH21 ARG A 86 22.727 -4.886 -9.072 1.00 0.00 H new ATOM 0 HH22 ARG A 86 23.993 -5.890 -9.787 1.00 0.00 H new ATOM 1291 N ASP A 87 15.088 -3.970 -8.459 1.00 0.00 N ATOM 1292 CA ASP A 87 14.485 -2.680 -8.889 1.00 0.00 C ATOM 1293 C ASP A 87 15.100 -1.546 -8.071 1.00 0.00 C ATOM 1294 O ASP A 87 15.753 -1.771 -7.073 1.00 0.00 O ATOM 1295 CB ASP A 87 12.973 -2.720 -8.656 1.00 0.00 C ATOM 1296 CG ASP A 87 12.325 -3.690 -9.646 1.00 0.00 C ATOM 1297 OD1 ASP A 87 12.946 -3.978 -10.656 1.00 0.00 O ATOM 1298 OD2 ASP A 87 11.219 -4.129 -9.377 1.00 0.00 O ATOM 0 H ASP A 87 14.533 -4.505 -7.790 1.00 0.00 H new ATOM 0 HA ASP A 87 14.680 -2.516 -9.949 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.761 -3.033 -7.634 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.550 -1.723 -8.779 1.00 0.00 H new ATOM 1303 N THR A 88 14.898 -0.326 -8.484 1.00 0.00 N ATOM 1304 CA THR A 88 15.472 0.823 -7.728 1.00 0.00 C ATOM 1305 C THR A 88 14.464 1.265 -6.665 1.00 0.00 C ATOM 1306 O THR A 88 13.284 0.998 -6.773 1.00 0.00 O ATOM 1307 CB THR A 88 15.735 1.981 -8.694 1.00 0.00 C ATOM 1308 OG1 THR A 88 16.554 1.529 -9.763 1.00 0.00 O ATOM 1309 CG2 THR A 88 16.441 3.117 -7.954 1.00 0.00 C ATOM 0 H THR A 88 14.360 -0.074 -9.313 1.00 0.00 H new ATOM 0 HA THR A 88 16.407 0.529 -7.252 1.00 0.00 H new ATOM 0 HB THR A 88 14.787 2.344 -9.091 1.00 0.00 H new ATOM 0 HG1 THR A 88 16.721 2.270 -10.383 1.00 0.00 H new ATOM 0 HG21 THR A 88 16.627 3.940 -8.644 1.00 0.00 H new ATOM 0 HG22 THR A 88 15.811 3.465 -7.135 1.00 0.00 H new ATOM 0 HG23 THR A 88 17.389 2.757 -7.554 1.00 0.00 H new ATOM 1317 N LYS A 89 14.911 1.934 -5.637 1.00 0.00 N ATOM 1318 CA LYS A 89 13.961 2.379 -4.578 1.00 0.00 C ATOM 1319 C LYS A 89 13.316 3.692 -5.015 1.00 0.00 C ATOM 1320 O LYS A 89 13.893 4.457 -5.762 1.00 0.00 O ATOM 1321 CB LYS A 89 14.714 2.606 -3.266 1.00 0.00 C ATOM 1322 CG LYS A 89 15.361 1.300 -2.800 1.00 0.00 C ATOM 1323 CD LYS A 89 16.106 1.554 -1.486 1.00 0.00 C ATOM 1324 CE LYS A 89 16.763 0.261 -0.998 1.00 0.00 C ATOM 1325 NZ LYS A 89 17.778 0.589 0.045 1.00 0.00 N ATOM 0 H LYS A 89 15.887 2.190 -5.485 1.00 0.00 H new ATOM 0 HA LYS A 89 13.199 1.614 -4.428 1.00 0.00 H new ATOM 0 HB2 LYS A 89 15.478 3.371 -3.404 1.00 0.00 H new ATOM 0 HB3 LYS A 89 14.028 2.974 -2.503 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.600 0.532 -2.659 1.00 0.00 H new ATOM 0 HG3 LYS A 89 16.051 0.930 -3.558 1.00 0.00 H new ATOM 0 HD2 LYS A 89 16.864 2.324 -1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 89 15.413 1.927 -0.732 1.00 0.00 H new ATOM 0 HE2 LYS A 89 16.009 -0.412 -0.590 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.236 -0.258 -1.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 18.227 -0.287 0.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 18.502 1.216 -0.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 17.313 1.067 0.843 1.00 0.00 H new ATOM 1339 N ILE A 90 12.117 3.952 -4.560 1.00 0.00 N ATOM 1340 CA ILE A 90 11.406 5.211 -4.946 1.00 0.00 C ATOM 1341 C ILE A 90 10.880 5.905 -3.688 1.00 0.00 C ATOM 1342 O ILE A 90 10.737 5.298 -2.646 1.00 0.00 O ATOM 1343 CB ILE A 90 10.243 4.855 -5.880 1.00 0.00 C ATOM 1344 CG1 ILE A 90 9.323 3.829 -5.201 1.00 0.00 C ATOM 1345 CG2 ILE A 90 10.802 4.254 -7.171 1.00 0.00 C ATOM 1346 CD1 ILE A 90 8.060 3.633 -6.045 1.00 0.00 C ATOM 0 H ILE A 90 11.595 3.341 -3.932 1.00 0.00 H new ATOM 0 HA ILE A 90 12.090 5.887 -5.460 1.00 0.00 H new ATOM 0 HB ILE A 90 9.672 5.756 -6.105 1.00 0.00 H new ATOM 0 HG12 ILE A 90 9.845 2.879 -5.083 1.00 0.00 H new ATOM 0 HG13 ILE A 90 9.055 4.171 -4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 90 9.980 3.999 -7.839 1.00 0.00 H new ATOM 0 HG22 ILE A 90 11.453 4.980 -7.658 1.00 0.00 H new ATOM 0 HG23 ILE A 90 11.372 3.355 -6.937 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.409 2.905 -5.562 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.535 4.583 -6.140 1.00 0.00 H new ATOM 0 HD13 ILE A 90 8.337 3.271 -7.035 1.00 0.00 H new ATOM 1358 N GLU A 91 10.598 7.175 -3.777 1.00 0.00 N ATOM 1359 CA GLU A 91 10.091 7.912 -2.586 1.00 0.00 C ATOM 1360 C GLU A 91 8.717 7.366 -2.194 1.00 0.00 C ATOM 1361 O GLU A 91 7.919 7.005 -3.035 1.00 0.00 O ATOM 1362 CB GLU A 91 9.980 9.402 -2.915 1.00 0.00 C ATOM 1363 CG GLU A 91 11.381 9.980 -3.125 1.00 0.00 C ATOM 1364 CD GLU A 91 12.120 10.027 -1.787 1.00 0.00 C ATOM 1365 OE1 GLU A 91 11.457 9.990 -0.764 1.00 0.00 O ATOM 1366 OE2 GLU A 91 13.338 10.100 -1.809 1.00 0.00 O ATOM 0 H GLU A 91 10.697 7.735 -4.624 1.00 0.00 H new ATOM 0 HA GLU A 91 10.783 7.778 -1.754 1.00 0.00 H new ATOM 0 HB2 GLU A 91 9.377 9.544 -3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.475 9.928 -2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.935 9.368 -3.837 1.00 0.00 H new ATOM 0 HG3 GLU A 91 11.313 10.981 -3.550 1.00 0.00 H new ATOM 1373 N VAL A 92 8.438 7.296 -0.921 1.00 0.00 N ATOM 1374 CA VAL A 92 7.119 6.763 -0.477 1.00 0.00 C ATOM 1375 C VAL A 92 5.992 7.598 -1.098 1.00 0.00 C ATOM 1376 O VAL A 92 4.973 7.076 -1.504 1.00 0.00 O ATOM 1377 CB VAL A 92 7.030 6.835 1.052 1.00 0.00 C ATOM 1378 CG1 VAL A 92 5.603 6.509 1.504 1.00 0.00 C ATOM 1379 CG2 VAL A 92 8.003 5.825 1.669 1.00 0.00 C ATOM 0 H VAL A 92 9.065 7.584 -0.170 1.00 0.00 H new ATOM 0 HA VAL A 92 7.018 5.726 -0.799 1.00 0.00 H new ATOM 0 HB VAL A 92 7.291 7.841 1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.545 6.561 2.591 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.910 7.229 1.068 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.338 5.504 1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 92 7.940 5.876 2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.743 4.820 1.337 1.00 0.00 H new ATOM 0 HG23 VAL A 92 9.020 6.060 1.353 1.00 0.00 H new ATOM 1389 N ALA A 93 6.162 8.890 -1.163 1.00 0.00 N ATOM 1390 CA ALA A 93 5.097 9.759 -1.743 1.00 0.00 C ATOM 1391 C ALA A 93 4.661 9.225 -3.112 1.00 0.00 C ATOM 1392 O ALA A 93 3.487 9.201 -3.431 1.00 0.00 O ATOM 1393 CB ALA A 93 5.637 11.182 -1.905 1.00 0.00 C ATOM 0 H ALA A 93 6.994 9.383 -0.839 1.00 0.00 H new ATOM 0 HA ALA A 93 4.238 9.760 -1.073 1.00 0.00 H new ATOM 0 HB1 ALA A 93 4.861 11.820 -2.329 1.00 0.00 H new ATOM 0 HB2 ALA A 93 5.935 11.571 -0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.500 11.170 -2.570 1.00 0.00 H new ATOM 1399 N GLN A 94 5.587 8.800 -3.926 1.00 0.00 N ATOM 1400 CA GLN A 94 5.207 8.278 -5.270 1.00 0.00 C ATOM 1401 C GLN A 94 4.665 6.857 -5.126 1.00 0.00 C ATOM 1402 O GLN A 94 3.783 6.441 -5.851 1.00 0.00 O ATOM 1403 CB GLN A 94 6.430 8.273 -6.189 1.00 0.00 C ATOM 1404 CG GLN A 94 6.009 7.816 -7.588 1.00 0.00 C ATOM 1405 CD GLN A 94 7.209 7.886 -8.536 1.00 0.00 C ATOM 1406 OE1 GLN A 94 8.320 8.126 -8.109 1.00 0.00 O ATOM 1407 NE2 GLN A 94 7.029 7.690 -9.814 1.00 0.00 N ATOM 0 H GLN A 94 6.586 8.791 -3.721 1.00 0.00 H new ATOM 0 HA GLN A 94 4.439 8.918 -5.704 1.00 0.00 H new ATOM 0 HB2 GLN A 94 6.868 9.270 -6.236 1.00 0.00 H new ATOM 0 HB3 GLN A 94 7.196 7.607 -5.791 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.624 6.797 -7.548 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.202 8.447 -7.960 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.096 7.488 -10.173 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.822 7.738 -10.454 1.00 0.00 H new ATOM 1416 N PHE A 95 5.177 6.112 -4.187 1.00 0.00 N ATOM 1417 CA PHE A 95 4.682 4.724 -3.989 1.00 0.00 C ATOM 1418 C PHE A 95 3.192 4.772 -3.665 1.00 0.00 C ATOM 1419 O PHE A 95 2.395 4.061 -4.243 1.00 0.00 O ATOM 1420 CB PHE A 95 5.425 4.083 -2.816 1.00 0.00 C ATOM 1421 CG PHE A 95 4.875 2.701 -2.567 1.00 0.00 C ATOM 1422 CD1 PHE A 95 3.755 2.536 -1.743 1.00 0.00 C ATOM 1423 CD2 PHE A 95 5.477 1.586 -3.162 1.00 0.00 C ATOM 1424 CE1 PHE A 95 3.238 1.257 -1.512 1.00 0.00 C ATOM 1425 CE2 PHE A 95 4.959 0.306 -2.931 1.00 0.00 C ATOM 1426 CZ PHE A 95 3.840 0.142 -2.106 1.00 0.00 C ATOM 0 H PHE A 95 5.917 6.405 -3.549 1.00 0.00 H new ATOM 0 HA PHE A 95 4.851 4.140 -4.894 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.492 4.028 -3.034 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.314 4.697 -1.922 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.290 3.397 -1.286 1.00 0.00 H new ATOM 0 HD2 PHE A 95 6.340 1.713 -3.799 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.375 1.130 -0.876 1.00 0.00 H new ATOM 0 HE2 PHE A 95 5.423 -0.555 -3.389 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.441 -0.846 -1.928 1.00 0.00 H new ATOM 1436 N VAL A 96 2.810 5.605 -2.740 1.00 0.00 N ATOM 1437 CA VAL A 96 1.374 5.698 -2.372 1.00 0.00 C ATOM 1438 C VAL A 96 0.564 6.152 -3.588 1.00 0.00 C ATOM 1439 O VAL A 96 -0.468 5.593 -3.902 1.00 0.00 O ATOM 1440 CB VAL A 96 1.201 6.716 -1.243 1.00 0.00 C ATOM 1441 CG1 VAL A 96 -0.289 6.906 -0.948 1.00 0.00 C ATOM 1442 CG2 VAL A 96 1.911 6.214 0.016 1.00 0.00 C ATOM 0 H VAL A 96 3.432 6.226 -2.223 1.00 0.00 H new ATOM 0 HA VAL A 96 1.022 4.721 -2.041 1.00 0.00 H new ATOM 0 HB VAL A 96 1.635 7.668 -1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.411 7.631 -0.144 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.794 7.269 -1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.725 5.953 -0.647 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.786 6.941 0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.481 5.260 0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.973 6.083 -0.193 1.00 0.00 H new ATOM 1452 N LYS A 97 1.016 7.169 -4.271 1.00 0.00 N ATOM 1453 CA LYS A 97 0.262 7.658 -5.458 1.00 0.00 C ATOM 1454 C LYS A 97 0.152 6.549 -6.508 1.00 0.00 C ATOM 1455 O LYS A 97 -0.900 6.314 -7.064 1.00 0.00 O ATOM 1456 CB LYS A 97 0.987 8.865 -6.056 1.00 0.00 C ATOM 1457 CG LYS A 97 0.859 10.060 -5.107 1.00 0.00 C ATOM 1458 CD LYS A 97 1.585 11.268 -5.706 1.00 0.00 C ATOM 1459 CE LYS A 97 1.464 12.468 -4.763 1.00 0.00 C ATOM 1460 NZ LYS A 97 0.044 12.919 -4.712 1.00 0.00 N ATOM 0 H LYS A 97 1.873 7.680 -4.058 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.742 7.949 -5.149 1.00 0.00 H new ATOM 0 HB2 LYS A 97 2.038 8.627 -6.219 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.562 9.113 -7.029 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.192 10.298 -4.945 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.284 9.813 -4.134 1.00 0.00 H new ATOM 0 HD2 LYS A 97 2.635 11.028 -5.870 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.159 11.514 -6.679 1.00 0.00 H new ATOM 0 HE2 LYS A 97 1.806 12.195 -3.765 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.103 13.281 -5.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.001 13.881 -4.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.355 12.919 -5.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.504 12.273 -4.109 1.00 0.00 H new ATOM 1474 N ASP A 98 1.223 5.858 -6.787 1.00 0.00 N ATOM 1475 CA ASP A 98 1.149 4.775 -7.807 1.00 0.00 C ATOM 1476 C ASP A 98 0.127 3.731 -7.352 1.00 0.00 C ATOM 1477 O ASP A 98 -0.658 3.228 -8.131 1.00 0.00 O ATOM 1478 CB ASP A 98 2.521 4.110 -7.947 1.00 0.00 C ATOM 1479 CG ASP A 98 3.498 5.079 -8.620 1.00 0.00 C ATOM 1480 OD1 ASP A 98 3.036 6.017 -9.248 1.00 0.00 O ATOM 1481 OD2 ASP A 98 4.693 4.862 -8.499 1.00 0.00 O ATOM 0 H ASP A 98 2.138 5.995 -6.357 1.00 0.00 H new ATOM 0 HA ASP A 98 0.849 5.195 -8.767 1.00 0.00 H new ATOM 0 HB2 ASP A 98 2.898 3.821 -6.966 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.435 3.197 -8.536 1.00 0.00 H new ATOM 1486 N LEU A 99 0.130 3.417 -6.090 1.00 0.00 N ATOM 1487 CA LEU A 99 -0.835 2.422 -5.552 1.00 0.00 C ATOM 1488 C LEU A 99 -2.264 2.954 -5.726 1.00 0.00 C ATOM 1489 O LEU A 99 -3.182 2.218 -6.030 1.00 0.00 O ATOM 1490 CB LEU A 99 -0.528 2.193 -4.066 1.00 0.00 C ATOM 1491 CG LEU A 99 -1.498 1.171 -3.461 1.00 0.00 C ATOM 1492 CD1 LEU A 99 -1.324 -0.194 -4.145 1.00 0.00 C ATOM 1493 CD2 LEU A 99 -1.205 1.036 -1.964 1.00 0.00 C ATOM 0 H LEU A 99 0.768 3.812 -5.399 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.746 1.478 -6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.497 1.840 -3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.602 3.136 -3.525 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.523 1.510 -3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.018 -0.911 -3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.529 -0.095 -5.211 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.302 -0.545 -4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.889 0.311 -1.523 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.178 0.698 -1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.338 2.003 -1.479 1.00 0.00 H new ATOM 1505 N LEU A 100 -2.453 4.228 -5.510 1.00 0.00 N ATOM 1506 CA LEU A 100 -3.815 4.832 -5.630 1.00 0.00 C ATOM 1507 C LEU A 100 -4.414 4.571 -7.022 1.00 0.00 C ATOM 1508 O LEU A 100 -5.559 4.181 -7.141 1.00 0.00 O ATOM 1509 CB LEU A 100 -3.707 6.342 -5.372 1.00 0.00 C ATOM 1510 CG LEU A 100 -5.039 7.042 -5.667 1.00 0.00 C ATOM 1511 CD1 LEU A 100 -6.178 6.366 -4.894 1.00 0.00 C ATOM 1512 CD2 LEU A 100 -4.935 8.508 -5.237 1.00 0.00 C ATOM 0 H LEU A 100 -1.715 4.884 -5.253 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.477 4.374 -4.895 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.420 6.519 -4.335 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.922 6.767 -5.997 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.251 6.976 -6.734 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.118 6.873 -5.113 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.251 5.321 -5.194 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.976 6.423 -3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.878 9.015 -5.443 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.720 8.560 -4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.133 8.994 -5.792 1.00 0.00 H new ATOM 1524 N LEU A 101 -3.674 4.780 -8.078 1.00 0.00 N ATOM 1525 CA LEU A 101 -4.261 4.537 -9.433 1.00 0.00 C ATOM 1526 C LEU A 101 -4.691 3.069 -9.549 1.00 0.00 C ATOM 1527 O LEU A 101 -5.728 2.761 -10.101 1.00 0.00 O ATOM 1528 CB LEU A 101 -3.218 4.859 -10.521 1.00 0.00 C ATOM 1529 CG LEU A 101 -3.128 6.380 -10.780 1.00 0.00 C ATOM 1530 CD1 LEU A 101 -4.332 6.867 -11.600 1.00 0.00 C ATOM 1531 CD2 LEU A 101 -3.078 7.141 -9.452 1.00 0.00 C ATOM 0 H LEU A 101 -2.706 5.102 -8.066 1.00 0.00 H new ATOM 0 HA LEU A 101 -5.129 5.182 -9.569 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -2.242 4.482 -10.215 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.483 4.346 -11.445 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.216 6.572 -11.345 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -4.247 7.940 -11.770 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.353 6.349 -12.559 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -5.252 6.658 -11.054 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.015 8.211 -9.648 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.980 6.930 -8.878 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.204 6.824 -8.884 1.00 0.00 H new ATOM 1543 N HIS A 102 -3.908 2.163 -9.038 1.00 0.00 N ATOM 1544 CA HIS A 102 -4.282 0.720 -9.124 1.00 0.00 C ATOM 1545 C HIS A 102 -5.477 0.397 -8.219 1.00 0.00 C ATOM 1546 O HIS A 102 -6.328 -0.385 -8.575 1.00 0.00 O ATOM 1547 CB HIS A 102 -3.082 -0.152 -8.731 1.00 0.00 C ATOM 1548 CG HIS A 102 -2.148 -0.255 -9.901 1.00 0.00 C ATOM 1549 ND1 HIS A 102 -2.312 -1.214 -10.887 1.00 0.00 N ATOM 1550 CD2 HIS A 102 -1.062 0.489 -10.273 1.00 0.00 C ATOM 1551 CE1 HIS A 102 -1.348 -1.022 -11.803 1.00 0.00 C ATOM 1552 NE2 HIS A 102 -0.555 0.006 -11.478 1.00 0.00 N ATOM 0 H HIS A 102 -3.025 2.356 -8.564 1.00 0.00 H new ATOM 0 HA HIS A 102 -4.570 0.506 -10.153 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -2.566 0.282 -7.875 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -3.420 -1.144 -8.431 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -0.659 1.323 -9.718 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -1.228 -1.623 -12.692 1.00 0.00 H new ATOM 0 HE2 HIS A 102 0.247 0.360 -12.000 1.00 0.00 H new ATOM 1560 N LEU A 103 -5.542 0.955 -7.047 1.00 0.00 N ATOM 1561 CA LEU A 103 -6.681 0.608 -6.143 1.00 0.00 C ATOM 1562 C LEU A 103 -8.015 0.949 -6.819 1.00 0.00 C ATOM 1563 O LEU A 103 -8.926 0.144 -6.839 1.00 0.00 O ATOM 1564 CB LEU A 103 -6.557 1.393 -4.830 1.00 0.00 C ATOM 1565 CG LEU A 103 -5.360 0.882 -4.007 1.00 0.00 C ATOM 1566 CD1 LEU A 103 -5.109 1.847 -2.844 1.00 0.00 C ATOM 1567 CD2 LEU A 103 -5.645 -0.521 -3.437 1.00 0.00 C ATOM 0 H LEU A 103 -4.870 1.626 -6.675 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.651 -0.461 -5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.432 2.454 -5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.474 1.291 -4.250 1.00 0.00 H new ATOM 0 HG LEU A 103 -4.487 0.826 -4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.263 1.494 -2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.889 2.840 -3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.996 1.895 -2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.785 -0.861 -2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -6.522 -0.480 -2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -5.829 -1.216 -4.256 1.00 0.00 H new ATOM 1579 N LYS A 104 -8.149 2.120 -7.376 1.00 0.00 N ATOM 1580 CA LYS A 104 -9.438 2.474 -8.045 1.00 0.00 C ATOM 1581 C LYS A 104 -9.630 1.628 -9.311 1.00 0.00 C ATOM 1582 O LYS A 104 -10.738 1.410 -9.756 1.00 0.00 O ATOM 1583 CB LYS A 104 -9.443 3.960 -8.413 1.00 0.00 C ATOM 1584 CG LYS A 104 -8.284 4.264 -9.367 1.00 0.00 C ATOM 1585 CD LYS A 104 -8.243 5.768 -9.676 1.00 0.00 C ATOM 1586 CE LYS A 104 -7.638 6.538 -8.498 1.00 0.00 C ATOM 1587 NZ LYS A 104 -7.248 7.903 -8.947 1.00 0.00 N ATOM 0 H LYS A 104 -7.430 2.844 -7.399 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.257 2.270 -7.355 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.391 4.224 -8.882 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -9.353 4.567 -7.512 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -7.341 3.950 -8.919 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.403 3.697 -10.290 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -7.654 5.945 -10.576 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -9.250 6.132 -9.878 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -8.359 6.603 -7.683 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -6.768 6.008 -8.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.837 8.427 -8.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.546 7.830 -9.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -8.088 8.407 -9.296 1.00 0.00 H new ATOM 1601 N LYS A 105 -8.562 1.172 -9.907 1.00 0.00 N ATOM 1602 CA LYS A 105 -8.692 0.366 -11.159 1.00 0.00 C ATOM 1603 C LYS A 105 -9.420 -0.958 -10.887 1.00 0.00 C ATOM 1604 O LYS A 105 -10.347 -1.313 -11.589 1.00 0.00 O ATOM 1605 CB LYS A 105 -7.296 0.086 -11.722 1.00 0.00 C ATOM 1606 CG LYS A 105 -7.413 -0.693 -13.036 1.00 0.00 C ATOM 1607 CD LYS A 105 -6.019 -0.898 -13.634 1.00 0.00 C ATOM 1608 CE LYS A 105 -6.148 -1.525 -15.024 1.00 0.00 C ATOM 1609 NZ LYS A 105 -4.797 -1.658 -15.639 1.00 0.00 N ATOM 0 H LYS A 105 -7.606 1.321 -9.584 1.00 0.00 H new ATOM 0 HA LYS A 105 -9.279 0.932 -11.883 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.767 1.024 -11.891 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.711 -0.485 -11.001 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.889 -1.657 -12.858 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -8.045 -0.150 -13.738 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.496 0.056 -13.701 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -5.425 -1.542 -12.986 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.623 -2.503 -14.950 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -6.787 -0.907 -15.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -4.886 -2.084 -16.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -4.360 -0.718 -15.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -4.201 -2.265 -15.040 1.00 0.00 H new ATOM 1623 N LEU A 106 -9.023 -1.696 -9.885 1.00 0.00 N ATOM 1624 CA LEU A 106 -9.718 -2.989 -9.604 1.00 0.00 C ATOM 1625 C LEU A 106 -11.187 -2.709 -9.289 1.00 0.00 C ATOM 1626 O LEU A 106 -12.053 -3.519 -9.554 1.00 0.00 O ATOM 1627 CB LEU A 106 -9.059 -3.707 -8.414 1.00 0.00 C ATOM 1628 CG LEU A 106 -7.746 -4.405 -8.842 1.00 0.00 C ATOM 1629 CD1 LEU A 106 -8.039 -5.704 -9.609 1.00 0.00 C ATOM 1630 CD2 LEU A 106 -6.913 -3.477 -9.731 1.00 0.00 C ATOM 0 H LEU A 106 -8.256 -1.464 -9.254 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.643 -3.633 -10.480 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.851 -2.988 -7.622 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.749 -4.444 -8.003 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.188 -4.644 -7.937 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.100 -6.175 -9.899 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.604 -6.383 -8.971 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -8.621 -5.476 -10.502 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.993 -3.983 -10.023 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.484 -3.218 -10.623 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.668 -2.569 -9.180 1.00 0.00 H new ATOM 1642 N PHE A 107 -11.475 -1.572 -8.724 1.00 0.00 N ATOM 1643 CA PHE A 107 -12.889 -1.250 -8.395 1.00 0.00 C ATOM 1644 C PHE A 107 -13.715 -1.256 -9.682 1.00 0.00 C ATOM 1645 O PHE A 107 -14.838 -1.719 -9.709 1.00 0.00 O ATOM 1646 CB PHE A 107 -12.972 0.130 -7.740 1.00 0.00 C ATOM 1647 CG PHE A 107 -14.413 0.429 -7.404 1.00 0.00 C ATOM 1648 CD1 PHE A 107 -15.030 -0.241 -6.340 1.00 0.00 C ATOM 1649 CD2 PHE A 107 -15.135 1.366 -8.154 1.00 0.00 C ATOM 1650 CE1 PHE A 107 -16.366 0.026 -6.026 1.00 0.00 C ATOM 1651 CE2 PHE A 107 -16.472 1.634 -7.838 1.00 0.00 C ATOM 1652 CZ PHE A 107 -17.088 0.964 -6.774 1.00 0.00 C ATOM 0 H PHE A 107 -10.795 -0.854 -8.476 1.00 0.00 H new ATOM 0 HA PHE A 107 -13.279 -1.995 -7.701 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -12.362 0.155 -6.837 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -12.577 0.891 -8.413 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -14.474 -0.964 -5.762 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -14.660 1.882 -8.976 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -16.841 -0.492 -5.206 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -17.029 2.358 -8.415 1.00 0.00 H new ATOM 0 HZ PHE A 107 -18.120 1.171 -6.530 1.00 0.00 H new ATOM 1662 N ARG A 108 -13.170 -0.738 -10.749 1.00 0.00 N ATOM 1663 CA ARG A 108 -13.924 -0.708 -12.035 1.00 0.00 C ATOM 1664 C ARG A 108 -14.278 -2.136 -12.462 1.00 0.00 C ATOM 1665 O ARG A 108 -15.341 -2.383 -12.993 1.00 0.00 O ATOM 1666 CB ARG A 108 -13.067 -0.053 -13.126 1.00 0.00 C ATOM 1667 CG ARG A 108 -12.920 1.446 -12.845 1.00 0.00 C ATOM 1668 CD ARG A 108 -12.064 2.094 -13.940 1.00 0.00 C ATOM 1669 NE ARG A 108 -12.826 2.119 -15.220 1.00 0.00 N ATOM 1670 CZ ARG A 108 -12.416 2.866 -16.210 1.00 0.00 C ATOM 1671 NH1 ARG A 108 -11.312 3.555 -16.098 1.00 0.00 N ATOM 1672 NH2 ARG A 108 -13.108 2.921 -17.315 1.00 0.00 N ATOM 0 H ARG A 108 -12.234 -0.334 -10.786 1.00 0.00 H new ATOM 0 HA ARG A 108 -14.838 -0.131 -11.895 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -12.084 -0.523 -13.160 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -13.527 -0.205 -14.102 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -13.902 1.918 -12.810 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -12.458 1.600 -11.870 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -11.789 3.108 -13.649 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -11.136 1.537 -14.068 1.00 0.00 H new ATOM 0 HE ARG A 108 -13.668 1.553 -15.323 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -10.768 3.510 -15.236 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -10.994 4.138 -16.872 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -13.969 2.381 -17.405 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -12.788 3.504 -18.088 1.00 0.00 H new ATOM 1686 N GLU A 109 -13.393 -3.078 -12.254 1.00 0.00 N ATOM 1687 CA GLU A 109 -13.689 -4.484 -12.671 1.00 0.00 C ATOM 1688 C GLU A 109 -14.457 -5.222 -11.564 1.00 0.00 C ATOM 1689 O GLU A 109 -14.961 -6.307 -11.774 1.00 0.00 O ATOM 1690 CB GLU A 109 -12.373 -5.215 -12.950 1.00 0.00 C ATOM 1691 CG GLU A 109 -11.725 -4.641 -14.211 1.00 0.00 C ATOM 1692 CD GLU A 109 -12.548 -5.040 -15.437 1.00 0.00 C ATOM 1693 OE1 GLU A 109 -13.249 -6.035 -15.356 1.00 0.00 O ATOM 1694 OE2 GLU A 109 -12.461 -4.345 -16.435 1.00 0.00 O ATOM 0 H GLU A 109 -12.483 -2.936 -11.816 1.00 0.00 H new ATOM 0 HA GLU A 109 -14.303 -4.464 -13.571 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -11.698 -5.107 -12.101 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -12.558 -6.282 -13.077 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -11.664 -3.555 -14.139 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.705 -5.012 -14.309 1.00 0.00 H new ATOM 1701 N GLY A 110 -14.561 -4.649 -10.394 1.00 0.00 N ATOM 1702 CA GLY A 110 -15.308 -5.330 -9.296 1.00 0.00 C ATOM 1703 C GLY A 110 -14.553 -6.589 -8.851 1.00 0.00 C ATOM 1704 O GLY A 110 -15.081 -7.413 -8.131 1.00 0.00 O ATOM 0 H GLY A 110 -14.162 -3.742 -10.152 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -15.429 -4.651 -8.452 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -16.308 -5.597 -9.637 1.00 0.00 H new ATOM 1708 N ARG A 111 -13.319 -6.743 -9.266 1.00 0.00 N ATOM 1709 CA ARG A 111 -12.530 -7.950 -8.854 1.00 0.00 C ATOM 1710 C ARG A 111 -11.649 -7.574 -7.663 1.00 0.00 C ATOM 1711 O ARG A 111 -10.669 -6.871 -7.802 1.00 0.00 O ATOM 1712 CB ARG A 111 -11.640 -8.404 -10.013 1.00 0.00 C ATOM 1713 CG ARG A 111 -12.509 -8.873 -11.180 1.00 0.00 C ATOM 1714 CD ARG A 111 -11.604 -9.323 -12.328 1.00 0.00 C ATOM 1715 NE ARG A 111 -12.437 -9.776 -13.477 1.00 0.00 N ATOM 1716 CZ ARG A 111 -11.891 -9.933 -14.652 1.00 0.00 C ATOM 1717 NH1 ARG A 111 -10.618 -9.693 -14.817 1.00 0.00 N ATOM 1718 NH2 ARG A 111 -12.614 -10.333 -15.661 1.00 0.00 N ATOM 0 H ARG A 111 -12.824 -6.088 -9.871 1.00 0.00 H new ATOM 0 HA ARG A 111 -13.208 -8.759 -8.583 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -10.997 -7.584 -10.333 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -10.986 -9.213 -9.686 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -13.152 -9.694 -10.864 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -13.163 -8.066 -11.511 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -10.957 -8.502 -12.637 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -10.955 -10.133 -11.996 1.00 0.00 H new ATOM 0 HE ARG A 111 -13.431 -9.963 -13.346 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -10.051 -9.383 -14.028 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -10.191 -9.816 -15.735 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -13.608 -10.524 -15.533 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -12.186 -10.455 -16.579 1.00 0.00 H new ATOM 1732 N PHE A 112 -12.003 -8.020 -6.489 1.00 0.00 N ATOM 1733 CA PHE A 112 -11.206 -7.675 -5.271 1.00 0.00 C ATOM 1734 C PHE A 112 -10.280 -8.834 -4.889 1.00 0.00 C ATOM 1735 O PHE A 112 -10.660 -9.987 -4.920 1.00 0.00 O ATOM 1736 CB PHE A 112 -12.183 -7.367 -4.139 1.00 0.00 C ATOM 1737 CG PHE A 112 -13.124 -6.300 -4.637 1.00 0.00 C ATOM 1738 CD1 PHE A 112 -12.733 -4.959 -4.610 1.00 0.00 C ATOM 1739 CD2 PHE A 112 -14.376 -6.654 -5.157 1.00 0.00 C ATOM 1740 CE1 PHE A 112 -13.592 -3.970 -5.100 1.00 0.00 C ATOM 1741 CE2 PHE A 112 -15.236 -5.661 -5.645 1.00 0.00 C ATOM 1742 CZ PHE A 112 -14.843 -4.321 -5.617 1.00 0.00 C ATOM 0 H PHE A 112 -12.815 -8.613 -6.317 1.00 0.00 H new ATOM 0 HA PHE A 112 -10.577 -6.806 -5.466 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -12.734 -8.263 -3.853 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -11.649 -7.025 -3.253 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -11.767 -4.686 -4.211 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -14.678 -7.691 -5.182 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -13.289 -2.934 -5.079 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -16.203 -5.932 -6.043 1.00 0.00 H new ATOM 0 HZ PHE A 112 -15.505 -3.556 -5.995 1.00 0.00 H new ATOM 1752 N ASN A 113 -9.061 -8.525 -4.531 1.00 0.00 N ATOM 1753 CA ASN A 113 -8.088 -9.589 -4.145 1.00 0.00 C ATOM 1754 C ASN A 113 -8.141 -10.735 -5.162 1.00 0.00 C ATOM 1755 CB ASN A 113 -8.416 -10.107 -2.734 1.00 0.00 C ATOM 1756 CG ASN A 113 -9.615 -11.061 -2.775 1.00 0.00 C ATOM 1757 OD1 ASN A 113 -10.739 -10.653 -2.566 1.00 0.00 O ATOM 1758 ND2 ASN A 113 -9.418 -12.325 -3.034 1.00 0.00 N ATOM 1759 OXT ASN A 113 -8.704 -10.532 -6.224 1.00 0.00 O ATOM 0 H ASN A 113 -8.695 -7.574 -4.489 1.00 0.00 H new ATOM 0 HA ASN A 113 -7.080 -9.173 -4.140 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -7.549 -10.621 -2.319 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -8.635 -9.267 -2.074 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -10.208 -12.969 -3.061 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -8.474 -12.668 -3.210 1.00 0.00 H new TER 1766 ASN A 113