USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 532 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 MET CE :methyl -111:sc= -4.62 (180deg=-11!) USER MOD Set 1.2: A 47 THR OG1 : rot -160:sc= -1.01 USER MOD Set 2.1: A 23 ASN : amide:sc= -4.02! C(o=-7.2!,f=-7.3!) USER MOD Set 2.2: A 24 GLN : amide:sc= -3.15! C(o=-7.2!,f=-7.3!) USER MOD Single : A 10 HIS : no HD1:sc= -1.77 K(o=-1.8,f=-3.2) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 157:sc= -0.737 (180deg=-2.23!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 95:sc= 1.12 USER MOD Single : A 34 GLN : amide:sc= -0.0235 X(o=-0.023,f=-0.096) USER MOD Single : A 39 ASN : amide:sc= -1.96 K(o=-2,f=-7.8!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 160:sc= -0.293 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 73:sc= -0.636 USER MOD Single : A 59 MET CE :methyl -125:sc= -2.41! (180deg=-2.56!) USER MOD Single : A 60 ASN : amide:sc= -0.0605 K(o=-0.061,f=-1.6!) USER MOD Single : A 62 ASN : amide:sc= -0.013 K(o=-0.013,f=-0.52) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -3.528 -0.263 -7.608 1.00 0.00 N ATOM 60 CA GLY A 7 -2.245 0.220 -8.090 1.00 0.00 C ATOM 61 C GLY A 7 -1.239 0.344 -6.943 1.00 0.00 C ATOM 62 O GLY A 7 -0.962 1.445 -6.472 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.857 -0.462 -8.847 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.375 1.190 -8.571 1.00 0.00 H new ATOM 66 N LEU A 8 -0.721 -0.803 -6.527 1.00 0.00 N ATOM 67 CA LEU A 8 0.248 -0.837 -5.445 1.00 0.00 C ATOM 68 C LEU A 8 1.344 -1.850 -5.779 1.00 0.00 C ATOM 69 O LEU A 8 2.530 -1.529 -5.720 1.00 0.00 O ATOM 70 CB LEU A 8 -0.450 -1.103 -4.109 1.00 0.00 C ATOM 71 CG LEU A 8 -1.750 -0.334 -3.867 1.00 0.00 C ATOM 72 CD1 LEU A 8 -2.648 -1.074 -2.874 1.00 0.00 C ATOM 73 CD2 LEU A 8 -1.464 1.101 -3.421 1.00 0.00 C ATOM 0 H LEU A 8 -0.954 -1.715 -6.920 1.00 0.00 H new ATOM 0 HA LEU A 8 0.733 0.133 -5.337 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.664 -2.170 -4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.245 -0.864 -3.304 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.292 -0.276 -4.811 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.565 -0.506 -2.720 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.894 -2.059 -3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.126 -1.185 -1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.405 1.625 -3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.890 1.086 -2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.893 1.615 -4.194 1.00 0.00 H new ATOM 85 N ASP A 9 0.909 -3.054 -6.121 1.00 0.00 N ATOM 86 CA ASP A 9 1.838 -4.116 -6.465 1.00 0.00 C ATOM 87 C ASP A 9 2.877 -3.580 -7.452 1.00 0.00 C ATOM 88 O ASP A 9 4.006 -4.067 -7.496 1.00 0.00 O ATOM 89 CB ASP A 9 1.114 -5.288 -7.131 1.00 0.00 C ATOM 90 CG ASP A 9 0.167 -4.900 -8.268 1.00 0.00 C ATOM 91 OD1 ASP A 9 -1.016 -4.641 -7.958 1.00 0.00 O ATOM 92 OD2 ASP A 9 0.647 -4.872 -9.422 1.00 0.00 O ATOM 0 H ASP A 9 -0.075 -3.317 -6.167 1.00 0.00 H new ATOM 0 HA ASP A 9 2.311 -4.460 -5.545 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.859 -5.982 -7.520 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.545 -5.823 -6.371 1.00 0.00 H new ATOM 97 N HIS A 10 2.459 -2.584 -8.219 1.00 0.00 N ATOM 98 CA HIS A 10 3.339 -1.977 -9.203 1.00 0.00 C ATOM 99 C HIS A 10 4.125 -0.837 -8.553 1.00 0.00 C ATOM 100 O HIS A 10 5.295 -0.625 -8.870 1.00 0.00 O ATOM 101 CB HIS A 10 2.549 -1.526 -10.434 1.00 0.00 C ATOM 102 CG HIS A 10 1.901 -0.171 -10.285 1.00 0.00 C ATOM 103 ND1 HIS A 10 1.078 0.154 -9.220 1.00 0.00 N ATOM 104 CD2 HIS A 10 1.963 0.939 -11.076 1.00 0.00 C ATOM 105 CE1 HIS A 10 0.668 1.404 -9.374 1.00 0.00 C ATOM 106 NE2 HIS A 10 1.217 1.889 -10.525 1.00 0.00 N ATOM 0 H HIS A 10 1.522 -2.182 -8.179 1.00 0.00 H new ATOM 0 HA HIS A 10 4.060 -2.715 -9.556 1.00 0.00 H new ATOM 0 HB2 HIS A 10 3.218 -1.505 -11.294 1.00 0.00 H new ATOM 0 HB3 HIS A 10 1.777 -2.265 -10.648 1.00 0.00 H new ATOM 0 HD2 HIS A 10 2.524 1.029 -11.995 1.00 0.00 H new ATOM 0 HE1 HIS A 10 0.014 1.944 -8.706 1.00 0.00 H new ATOM 0 HE2 HIS A 10 1.077 2.827 -10.900 1.00 0.00 H new ATOM 114 N ILE A 11 3.452 -0.132 -7.656 1.00 0.00 N ATOM 115 CA ILE A 11 4.073 0.981 -6.959 1.00 0.00 C ATOM 116 C ILE A 11 5.469 0.568 -6.489 1.00 0.00 C ATOM 117 O ILE A 11 5.703 -0.598 -6.175 1.00 0.00 O ATOM 118 CB ILE A 11 3.167 1.479 -5.830 1.00 0.00 C ATOM 119 CG1 ILE A 11 2.000 2.298 -6.386 1.00 0.00 C ATOM 120 CG2 ILE A 11 3.969 2.260 -4.787 1.00 0.00 C ATOM 121 CD1 ILE A 11 1.251 3.017 -5.262 1.00 0.00 C ATOM 0 H ILE A 11 2.482 -0.310 -7.396 1.00 0.00 H new ATOM 0 HA ILE A 11 4.200 1.828 -7.633 1.00 0.00 H new ATOM 0 HB ILE A 11 2.741 0.612 -5.325 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.373 3.028 -7.105 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.315 1.643 -6.924 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.301 2.602 -3.996 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.736 1.614 -4.360 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.441 3.120 -5.261 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.427 3.592 -5.684 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.859 2.283 -4.558 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.933 3.689 -4.742 1.00 0.00 H new ATOM 133 N THR A 12 6.361 1.547 -6.456 1.00 0.00 N ATOM 134 CA THR A 12 7.728 1.300 -6.030 1.00 0.00 C ATOM 135 C THR A 12 8.011 2.012 -4.706 1.00 0.00 C ATOM 136 O THR A 12 7.560 3.136 -4.493 1.00 0.00 O ATOM 137 CB THR A 12 8.662 1.731 -7.163 1.00 0.00 C ATOM 138 OG1 THR A 12 7.961 1.364 -8.349 1.00 0.00 O ATOM 139 CG2 THR A 12 9.944 0.897 -7.215 1.00 0.00 C ATOM 0 H THR A 12 6.164 2.513 -6.717 1.00 0.00 H new ATOM 0 HA THR A 12 7.896 0.241 -5.836 1.00 0.00 H new ATOM 0 HB THR A 12 8.919 2.783 -7.041 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.495 1.609 -9.134 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.571 1.244 -8.036 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.486 1.003 -6.275 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.690 -0.151 -7.371 1.00 0.00 H new ATOM 147 N VAL A 13 8.757 1.327 -3.851 1.00 0.00 N ATOM 148 CA VAL A 13 9.105 1.880 -2.553 1.00 0.00 C ATOM 149 C VAL A 13 10.615 2.118 -2.494 1.00 0.00 C ATOM 150 O VAL A 13 11.398 1.268 -2.914 1.00 0.00 O ATOM 151 CB VAL A 13 8.601 0.960 -1.439 1.00 0.00 C ATOM 152 CG1 VAL A 13 9.011 1.489 -0.063 1.00 0.00 C ATOM 153 CG2 VAL A 13 7.085 0.774 -1.526 1.00 0.00 C ATOM 0 H VAL A 13 9.130 0.395 -4.032 1.00 0.00 H new ATOM 0 HA VAL A 13 8.617 2.844 -2.405 1.00 0.00 H new ATOM 0 HB VAL A 13 9.067 -0.016 -1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.640 0.817 0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.098 1.546 -0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.587 2.482 0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.752 0.116 -0.723 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.593 1.742 -1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.827 0.331 -2.488 1.00 0.00 H new ATOM 163 N VAL A 14 10.979 3.279 -1.968 1.00 0.00 N ATOM 164 CA VAL A 14 12.382 3.640 -1.849 1.00 0.00 C ATOM 165 C VAL A 14 12.961 3.005 -0.583 1.00 0.00 C ATOM 166 O VAL A 14 12.548 3.337 0.527 1.00 0.00 O ATOM 167 CB VAL A 14 12.535 5.162 -1.878 1.00 0.00 C ATOM 168 CG1 VAL A 14 13.900 5.586 -1.333 1.00 0.00 C ATOM 169 CG2 VAL A 14 12.314 5.708 -3.290 1.00 0.00 C ATOM 0 H VAL A 14 10.327 3.982 -1.620 1.00 0.00 H new ATOM 0 HA VAL A 14 12.949 3.254 -2.696 1.00 0.00 H new ATOM 0 HB VAL A 14 11.769 5.589 -1.230 1.00 0.00 H new ATOM 0 HG11 VAL A 14 13.983 6.672 -1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 14 14.003 5.244 -0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 14 14.688 5.144 -1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.428 6.792 -3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 14 13.046 5.270 -3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.309 5.451 -3.626 1.00 0.00 H new ATOM 179 N THR A 15 13.908 2.103 -0.792 1.00 0.00 N ATOM 180 CA THR A 15 14.549 1.418 0.318 1.00 0.00 C ATOM 181 C THR A 15 16.006 1.866 0.452 1.00 0.00 C ATOM 182 O THR A 15 16.528 2.559 -0.419 1.00 0.00 O ATOM 183 CB THR A 15 14.394 -0.088 0.098 1.00 0.00 C ATOM 184 OG1 THR A 15 15.017 -0.321 -1.162 1.00 0.00 O ATOM 185 CG2 THR A 15 12.937 -0.500 -0.125 1.00 0.00 C ATOM 0 H THR A 15 14.247 1.830 -1.714 1.00 0.00 H new ATOM 0 HA THR A 15 14.075 1.673 1.266 1.00 0.00 H new ATOM 0 HB THR A 15 14.795 -0.624 0.958 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.963 -1.274 -1.382 1.00 0.00 H new ATOM 0 HG21 THR A 15 12.883 -1.578 -0.276 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.344 -0.225 0.747 1.00 0.00 H new ATOM 0 HG23 THR A 15 12.545 0.010 -1.005 1.00 0.00 H new ATOM 193 N ALA A 16 16.620 1.451 1.550 1.00 0.00 N ATOM 194 CA ALA A 16 18.006 1.800 1.809 1.00 0.00 C ATOM 195 C ALA A 16 18.920 0.895 0.981 1.00 0.00 C ATOM 196 O ALA A 16 19.569 0.000 1.521 1.00 0.00 O ATOM 197 CB ALA A 16 18.287 1.696 3.310 1.00 0.00 C ATOM 0 H ALA A 16 16.183 0.876 2.270 1.00 0.00 H new ATOM 0 HA ALA A 16 18.204 2.829 1.510 1.00 0.00 H new ATOM 0 HB1 ALA A 16 19.327 1.958 3.504 1.00 0.00 H new ATOM 0 HB2 ALA A 16 17.633 2.380 3.851 1.00 0.00 H new ATOM 0 HB3 ALA A 16 18.101 0.676 3.645 1.00 0.00 H new ATOM 203 N ASP A 17 18.941 1.158 -0.318 1.00 0.00 N ATOM 204 CA ASP A 17 19.764 0.378 -1.226 1.00 0.00 C ATOM 205 C ASP A 17 19.365 0.695 -2.669 1.00 0.00 C ATOM 206 O ASP A 17 20.208 0.694 -3.564 1.00 0.00 O ATOM 207 CB ASP A 17 19.565 -1.122 -0.999 1.00 0.00 C ATOM 208 CG ASP A 17 20.705 -1.820 -0.255 1.00 0.00 C ATOM 209 OD1 ASP A 17 21.769 -1.999 -0.886 1.00 0.00 O ATOM 210 OD2 ASP A 17 20.486 -2.160 0.928 1.00 0.00 O ATOM 0 H ASP A 17 18.401 1.900 -0.763 1.00 0.00 H new ATOM 0 HA ASP A 17 20.807 0.635 -1.041 1.00 0.00 H new ATOM 0 HB2 ASP A 17 18.642 -1.270 -0.439 1.00 0.00 H new ATOM 0 HB3 ASP A 17 19.432 -1.606 -1.967 1.00 0.00 H new ATOM 215 N GLY A 18 18.079 0.958 -2.849 1.00 0.00 N ATOM 216 CA GLY A 18 17.558 1.276 -4.168 1.00 0.00 C ATOM 217 C GLY A 18 16.029 1.343 -4.152 1.00 0.00 C ATOM 218 O GLY A 18 15.435 1.823 -3.187 1.00 0.00 O ATOM 0 H GLY A 18 17.382 0.957 -2.104 1.00 0.00 H new ATOM 0 HA2 GLY A 18 17.964 2.231 -4.503 1.00 0.00 H new ATOM 0 HA3 GLY A 18 17.885 0.522 -4.884 1.00 0.00 H new ATOM 222 N LYS A 19 15.436 0.855 -5.231 1.00 0.00 N ATOM 223 CA LYS A 19 13.989 0.853 -5.354 1.00 0.00 C ATOM 224 C LYS A 19 13.499 -0.584 -5.546 1.00 0.00 C ATOM 225 O LYS A 19 14.173 -1.393 -6.181 1.00 0.00 O ATOM 226 CB LYS A 19 13.543 1.808 -6.463 1.00 0.00 C ATOM 227 CG LYS A 19 12.721 2.965 -5.893 1.00 0.00 C ATOM 228 CD LYS A 19 12.124 3.819 -7.014 1.00 0.00 C ATOM 229 CE LYS A 19 13.216 4.599 -7.749 1.00 0.00 C ATOM 230 NZ LYS A 19 12.815 6.013 -7.921 1.00 0.00 N ATOM 0 H LYS A 19 15.932 0.458 -6.029 1.00 0.00 H new ATOM 0 HA LYS A 19 13.529 1.227 -4.439 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.417 2.200 -6.983 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.951 1.265 -7.199 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.921 2.573 -5.265 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.352 3.585 -5.256 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.591 3.180 -7.719 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.394 4.513 -6.598 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.150 4.545 -7.189 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.402 4.146 -8.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.567 6.529 -8.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.936 6.060 -8.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.660 6.446 -6.988 1.00 0.00 H new ATOM 244 N VAL A 20 12.330 -0.857 -4.985 1.00 0.00 N ATOM 245 CA VAL A 20 11.743 -2.182 -5.087 1.00 0.00 C ATOM 246 C VAL A 20 10.223 -2.053 -5.206 1.00 0.00 C ATOM 247 O VAL A 20 9.664 -0.988 -4.950 1.00 0.00 O ATOM 248 CB VAL A 20 12.178 -3.040 -3.898 1.00 0.00 C ATOM 249 CG1 VAL A 20 13.703 -3.152 -3.832 1.00 0.00 C ATOM 250 CG2 VAL A 20 11.611 -2.491 -2.588 1.00 0.00 C ATOM 0 H VAL A 20 11.774 -0.183 -4.459 1.00 0.00 H new ATOM 0 HA VAL A 20 12.098 -2.689 -5.984 1.00 0.00 H new ATOM 0 HB VAL A 20 11.774 -4.042 -4.043 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.986 -3.767 -2.978 1.00 0.00 H new ATOM 0 HG12 VAL A 20 14.074 -3.611 -4.748 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.136 -2.158 -3.723 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.936 -3.120 -1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 20 11.970 -1.474 -2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.522 -2.488 -2.636 1.00 0.00 H new ATOM 260 N ALA A 21 9.597 -3.154 -5.596 1.00 0.00 N ATOM 261 CA ALA A 21 8.152 -3.178 -5.752 1.00 0.00 C ATOM 262 C ALA A 21 7.497 -3.329 -4.378 1.00 0.00 C ATOM 263 O ALA A 21 8.053 -3.971 -3.488 1.00 0.00 O ATOM 264 CB ALA A 21 7.761 -4.304 -6.711 1.00 0.00 C ATOM 0 H ALA A 21 10.064 -4.036 -5.809 1.00 0.00 H new ATOM 0 HA ALA A 21 7.797 -2.243 -6.185 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.677 -4.322 -6.828 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.228 -4.134 -7.681 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.098 -5.259 -6.308 1.00 0.00 H new ATOM 270 N LEU A 22 6.324 -2.727 -4.247 1.00 0.00 N ATOM 271 CA LEU A 22 5.588 -2.786 -2.996 1.00 0.00 C ATOM 272 C LEU A 22 5.280 -4.246 -2.659 1.00 0.00 C ATOM 273 O LEU A 22 4.934 -4.565 -1.523 1.00 0.00 O ATOM 274 CB LEU A 22 4.345 -1.896 -3.063 1.00 0.00 C ATOM 275 CG LEU A 22 4.169 -0.901 -1.914 1.00 0.00 C ATOM 276 CD1 LEU A 22 2.791 -0.239 -1.968 1.00 0.00 C ATOM 277 CD2 LEU A 22 4.431 -1.572 -0.564 1.00 0.00 C ATOM 0 H LEU A 22 5.865 -2.196 -4.987 1.00 0.00 H new ATOM 0 HA LEU A 22 6.192 -2.390 -2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.372 -1.338 -3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.465 -2.538 -3.100 1.00 0.00 H new ATOM 0 HG LEU A 22 4.910 -0.110 -2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.692 0.463 -1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.680 0.295 -2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.017 -1.003 -1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.299 -0.843 0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.730 -2.395 -0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.451 -1.956 -0.541 1.00 0.00 H new ATOM 289 N ASN A 23 5.418 -5.095 -3.667 1.00 0.00 N ATOM 290 CA ASN A 23 5.160 -6.514 -3.492 1.00 0.00 C ATOM 291 C ASN A 23 6.484 -7.243 -3.255 1.00 0.00 C ATOM 292 O ASN A 23 6.621 -8.416 -3.602 1.00 0.00 O ATOM 293 CB ASN A 23 4.506 -7.113 -4.739 1.00 0.00 C ATOM 294 CG ASN A 23 5.486 -7.136 -5.914 1.00 0.00 C ATOM 295 OD1 ASN A 23 6.440 -7.897 -5.946 1.00 0.00 O ATOM 296 ND2 ASN A 23 5.199 -6.263 -6.875 1.00 0.00 N ATOM 0 H ASN A 23 5.705 -4.827 -4.608 1.00 0.00 H new ATOM 0 HA ASN A 23 4.489 -6.633 -2.641 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.166 -8.126 -4.525 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.624 -6.531 -5.007 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.793 -6.201 -7.702 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.385 -5.655 -6.785 1.00 0.00 H new ATOM 303 N GLN A 24 7.424 -6.520 -2.666 1.00 0.00 N ATOM 304 CA GLN A 24 8.732 -7.084 -2.379 1.00 0.00 C ATOM 305 C GLN A 24 9.078 -6.896 -0.901 1.00 0.00 C ATOM 306 O GLN A 24 9.392 -7.862 -0.206 1.00 0.00 O ATOM 307 CB GLN A 24 9.806 -6.464 -3.276 1.00 0.00 C ATOM 308 CG GLN A 24 9.364 -6.464 -4.741 1.00 0.00 C ATOM 309 CD GLN A 24 9.246 -7.893 -5.277 1.00 0.00 C ATOM 310 OE1 GLN A 24 9.487 -8.866 -4.582 1.00 0.00 O ATOM 311 NE2 GLN A 24 8.863 -7.963 -6.549 1.00 0.00 N ATOM 0 H GLN A 24 7.306 -5.548 -2.379 1.00 0.00 H new ATOM 0 HA GLN A 24 8.700 -8.152 -2.592 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.009 -5.443 -2.954 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.737 -7.022 -3.173 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.404 -5.956 -4.835 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.081 -5.904 -5.341 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.677 -7.108 -7.073 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.755 -8.872 -7.000 1.00 0.00 H new ATOM 320 N ILE A 25 9.009 -5.648 -0.463 1.00 0.00 N ATOM 321 CA ILE A 25 9.311 -5.321 0.920 1.00 0.00 C ATOM 322 C ILE A 25 8.177 -5.823 1.817 1.00 0.00 C ATOM 323 O ILE A 25 8.402 -6.155 2.980 1.00 0.00 O ATOM 324 CB ILE A 25 9.596 -3.825 1.068 1.00 0.00 C ATOM 325 CG1 ILE A 25 8.320 -3.003 0.874 1.00 0.00 C ATOM 326 CG2 ILE A 25 10.712 -3.383 0.120 1.00 0.00 C ATOM 327 CD1 ILE A 25 8.602 -1.508 1.033 1.00 0.00 C ATOM 0 H ILE A 25 8.748 -4.850 -1.042 1.00 0.00 H new ATOM 0 HA ILE A 25 10.221 -5.828 1.241 1.00 0.00 H new ATOM 0 HB ILE A 25 9.946 -3.642 2.084 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.906 -3.195 -0.116 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.569 -3.314 1.600 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.895 -2.316 0.245 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.623 -3.936 0.348 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.415 -3.582 -0.910 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.679 -0.946 0.890 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.993 -1.316 2.032 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.336 -1.195 0.290 1.00 0.00 H new ATOM 339 N GLY A 26 6.984 -5.863 1.242 1.00 0.00 N ATOM 340 CA GLY A 26 5.816 -6.319 1.975 1.00 0.00 C ATOM 341 C GLY A 26 4.979 -7.281 1.129 1.00 0.00 C ATOM 342 O GLY A 26 4.896 -7.131 -0.089 1.00 0.00 O ATOM 0 H GLY A 26 6.801 -5.587 0.277 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.129 -6.815 2.893 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.208 -5.463 2.267 1.00 0.00 H new ATOM 346 N GLN A 27 4.380 -8.248 1.808 1.00 0.00 N ATOM 347 CA GLN A 27 3.552 -9.234 1.134 1.00 0.00 C ATOM 348 C GLN A 27 2.111 -8.734 1.027 1.00 0.00 C ATOM 349 O GLN A 27 1.409 -8.631 2.032 1.00 0.00 O ATOM 350 CB GLN A 27 3.612 -10.584 1.853 1.00 0.00 C ATOM 351 CG GLN A 27 4.634 -11.512 1.194 1.00 0.00 C ATOM 352 CD GLN A 27 6.059 -11.140 1.606 1.00 0.00 C ATOM 353 OE1 GLN A 27 6.605 -10.126 1.202 1.00 0.00 O ATOM 354 NE2 GLN A 27 6.630 -12.014 2.430 1.00 0.00 N ATOM 0 H GLN A 27 4.451 -8.370 2.818 1.00 0.00 H new ATOM 0 HA GLN A 27 3.941 -9.378 0.126 1.00 0.00 H new ATOM 0 HB2 GLN A 27 3.876 -10.431 2.899 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.628 -11.052 1.838 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.428 -12.544 1.476 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.538 -11.453 0.110 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.117 -12.843 2.730 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.581 -11.855 2.762 1.00 0.00 H new ATOM 363 N ILE A 28 1.712 -8.434 -0.201 1.00 0.00 N ATOM 364 CA ILE A 28 0.366 -7.947 -0.452 1.00 0.00 C ATOM 365 C ILE A 28 -0.606 -9.128 -0.460 1.00 0.00 C ATOM 366 O ILE A 28 -0.408 -10.095 -1.193 1.00 0.00 O ATOM 367 CB ILE A 28 0.330 -7.112 -1.734 1.00 0.00 C ATOM 368 CG1 ILE A 28 1.132 -5.819 -1.569 1.00 0.00 C ATOM 369 CG2 ILE A 28 -1.111 -6.840 -2.171 1.00 0.00 C ATOM 370 CD1 ILE A 28 1.750 -5.384 -2.900 1.00 0.00 C ATOM 0 H ILE A 28 2.297 -8.519 -1.032 1.00 0.00 H new ATOM 0 HA ILE A 28 0.047 -7.277 0.347 1.00 0.00 H new ATOM 0 HB ILE A 28 0.805 -7.687 -2.529 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.483 -5.030 -1.190 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.919 -5.967 -0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.108 -6.245 -3.084 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.620 -7.786 -2.356 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.633 -6.295 -1.384 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.314 -4.463 -2.755 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.417 -6.165 -3.264 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.959 -5.214 -3.630 1.00 0.00 H new ATOM 382 N SER A 29 -1.637 -9.010 0.365 1.00 0.00 N ATOM 383 CA SER A 29 -2.641 -10.055 0.462 1.00 0.00 C ATOM 384 C SER A 29 -4.007 -9.441 0.772 1.00 0.00 C ATOM 385 O SER A 29 -4.264 -9.026 1.901 1.00 0.00 O ATOM 386 CB SER A 29 -2.265 -11.082 1.533 1.00 0.00 C ATOM 387 OG SER A 29 -3.217 -12.139 1.616 1.00 0.00 O ATOM 0 H SER A 29 -1.798 -8.206 0.972 1.00 0.00 H new ATOM 0 HA SER A 29 -2.691 -10.571 -0.497 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.282 -11.496 1.309 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.189 -10.586 2.500 1.00 0.00 H new ATOM 0 HG SER A 29 -2.941 -12.774 2.309 1.00 0.00 H new ATOM 393 N MET A 30 -4.849 -9.404 -0.251 1.00 0.00 N ATOM 394 CA MET A 30 -6.183 -8.848 -0.102 1.00 0.00 C ATOM 395 C MET A 30 -7.087 -9.795 0.691 1.00 0.00 C ATOM 396 O MET A 30 -7.819 -10.592 0.108 1.00 0.00 O ATOM 397 CB MET A 30 -6.791 -8.600 -1.484 1.00 0.00 C ATOM 398 CG MET A 30 -7.171 -7.129 -1.660 1.00 0.00 C ATOM 399 SD MET A 30 -8.815 -7.002 -2.346 1.00 0.00 S ATOM 400 CE MET A 30 -9.346 -5.472 -1.595 1.00 0.00 C ATOM 0 H MET A 30 -4.633 -9.750 -1.186 1.00 0.00 H new ATOM 0 HA MET A 30 -6.105 -7.908 0.444 1.00 0.00 H new ATOM 0 HB2 MET A 30 -6.078 -8.890 -2.256 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.674 -9.225 -1.614 1.00 0.00 H new ATOM 0 HG2 MET A 30 -7.128 -6.616 -0.699 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.455 -6.636 -2.317 1.00 0.00 H new ATOM 0 HE1 MET A 30 -10.142 -5.030 -2.194 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.716 -5.670 -0.589 1.00 0.00 H new ATOM 0 HE3 MET A 30 -8.505 -4.781 -1.543 1.00 0.00 H new ATOM 410 N LYS A 31 -7.005 -9.675 2.008 1.00 0.00 N ATOM 411 CA LYS A 31 -7.806 -10.510 2.886 1.00 0.00 C ATOM 412 C LYS A 31 -9.143 -9.818 3.161 1.00 0.00 C ATOM 413 O LYS A 31 -10.153 -10.481 3.391 1.00 0.00 O ATOM 414 CB LYS A 31 -7.023 -10.861 4.153 1.00 0.00 C ATOM 415 CG LYS A 31 -7.914 -11.582 5.166 1.00 0.00 C ATOM 416 CD LYS A 31 -7.867 -13.097 4.957 1.00 0.00 C ATOM 417 CE LYS A 31 -6.522 -13.672 5.405 1.00 0.00 C ATOM 418 NZ LYS A 31 -6.033 -14.670 4.428 1.00 0.00 N ATOM 0 H LYS A 31 -6.396 -9.012 2.488 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.032 -11.462 2.405 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.173 -11.493 3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.620 -9.952 4.600 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.589 -11.341 6.178 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.941 -11.229 5.068 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.673 -13.570 5.518 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.032 -13.328 3.905 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.793 -12.868 5.509 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.627 -14.136 6.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.119 -15.050 4.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.722 -15.445 4.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.914 -14.217 3.499 1.00 0.00 H new ATOM 432 N SER A 32 -9.105 -8.494 3.129 1.00 0.00 N ATOM 433 CA SER A 32 -10.301 -7.706 3.372 1.00 0.00 C ATOM 434 C SER A 32 -11.054 -7.480 2.060 1.00 0.00 C ATOM 435 O SER A 32 -10.595 -7.894 0.997 1.00 0.00 O ATOM 436 CB SER A 32 -9.953 -6.365 4.022 1.00 0.00 C ATOM 437 OG SER A 32 -8.556 -6.239 4.273 1.00 0.00 O ATOM 0 H SER A 32 -8.265 -7.947 2.939 1.00 0.00 H new ATOM 0 HA SER A 32 -10.941 -8.258 4.060 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.279 -5.552 3.373 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.500 -6.264 4.959 1.00 0.00 H new ATOM 0 HG SER A 32 -8.130 -5.770 3.525 1.00 0.00 H new ATOM 443 N PRO A 33 -12.230 -6.806 2.181 1.00 0.00 N ATOM 444 CA PRO A 33 -13.052 -6.521 1.017 1.00 0.00 C ATOM 445 C PRO A 33 -12.448 -5.388 0.184 1.00 0.00 C ATOM 446 O PRO A 33 -12.188 -5.557 -1.006 1.00 0.00 O ATOM 447 CB PRO A 33 -14.423 -6.180 1.578 1.00 0.00 C ATOM 448 CG PRO A 33 -14.201 -5.835 3.041 1.00 0.00 C ATOM 449 CD PRO A 33 -12.805 -6.301 3.424 1.00 0.00 C ATOM 0 HA PRO A 33 -13.116 -7.365 0.330 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.867 -5.341 1.042 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -15.108 -7.022 1.475 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -14.302 -4.761 3.199 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.950 -6.321 3.666 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -12.212 -5.482 3.831 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.842 -7.078 4.188 1.00 0.00 H new ATOM 457 N GLN A 34 -12.243 -4.256 0.843 1.00 0.00 N ATOM 458 CA GLN A 34 -11.675 -3.096 0.179 1.00 0.00 C ATOM 459 C GLN A 34 -10.470 -2.572 0.963 1.00 0.00 C ATOM 460 O GLN A 34 -10.323 -1.365 1.149 1.00 0.00 O ATOM 461 CB GLN A 34 -12.727 -2.000 -0.006 1.00 0.00 C ATOM 462 CG GLN A 34 -13.546 -2.235 -1.277 1.00 0.00 C ATOM 463 CD GLN A 34 -14.926 -1.583 -1.169 1.00 0.00 C ATOM 464 OE1 GLN A 34 -15.690 -1.835 -0.251 1.00 0.00 O ATOM 465 NE2 GLN A 34 -15.201 -0.733 -2.154 1.00 0.00 N ATOM 0 H GLN A 34 -12.460 -4.118 1.830 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.335 -3.399 -0.811 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.390 -1.977 0.859 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.238 -1.027 -0.059 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.014 -1.828 -2.137 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -13.658 -3.306 -1.449 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -14.516 -0.568 -2.892 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -16.097 -0.246 -2.172 1.00 0.00 H new ATOM 474 N VAL A 35 -9.639 -3.506 1.402 1.00 0.00 N ATOM 475 CA VAL A 35 -8.452 -3.154 2.162 1.00 0.00 C ATOM 476 C VAL A 35 -7.348 -4.174 1.877 1.00 0.00 C ATOM 477 O VAL A 35 -7.512 -5.363 2.149 1.00 0.00 O ATOM 478 CB VAL A 35 -8.795 -3.044 3.649 1.00 0.00 C ATOM 479 CG1 VAL A 35 -7.527 -3.008 4.503 1.00 0.00 C ATOM 480 CG2 VAL A 35 -9.674 -1.821 3.920 1.00 0.00 C ATOM 0 H VAL A 35 -9.764 -4.506 1.246 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.079 -2.177 1.856 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.362 -3.932 3.929 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.799 -2.930 5.556 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.955 -3.922 4.343 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.922 -2.147 4.220 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.903 -1.766 4.984 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.145 -0.918 3.616 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.601 -1.906 3.353 1.00 0.00 H new ATOM 490 N ILE A 36 -6.249 -3.673 1.334 1.00 0.00 N ATOM 491 CA ILE A 36 -5.118 -4.526 1.009 1.00 0.00 C ATOM 492 C ILE A 36 -4.137 -4.534 2.183 1.00 0.00 C ATOM 493 O ILE A 36 -3.705 -3.478 2.643 1.00 0.00 O ATOM 494 CB ILE A 36 -4.487 -4.098 -0.317 1.00 0.00 C ATOM 495 CG1 ILE A 36 -5.414 -4.415 -1.493 1.00 0.00 C ATOM 496 CG2 ILE A 36 -3.103 -4.725 -0.493 1.00 0.00 C ATOM 497 CD1 ILE A 36 -5.689 -3.163 -2.327 1.00 0.00 C ATOM 0 H ILE A 36 -6.117 -2.687 1.111 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.447 -5.555 0.861 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.350 -3.017 -0.297 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.961 -5.182 -2.121 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.354 -4.822 -1.120 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.677 -4.405 -1.444 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.453 -4.407 0.322 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.192 -5.811 -0.483 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.350 -3.416 -3.156 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.164 -2.407 -1.702 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.749 -2.773 -2.718 1.00 0.00 H new ATOM 509 N LEU A 37 -3.813 -5.737 2.635 1.00 0.00 N ATOM 510 CA LEU A 37 -2.891 -5.895 3.746 1.00 0.00 C ATOM 511 C LEU A 37 -1.500 -6.234 3.205 1.00 0.00 C ATOM 512 O LEU A 37 -1.355 -7.127 2.371 1.00 0.00 O ATOM 513 CB LEU A 37 -3.428 -6.921 4.746 1.00 0.00 C ATOM 514 CG LEU A 37 -4.738 -6.553 5.446 1.00 0.00 C ATOM 515 CD1 LEU A 37 -5.350 -7.772 6.140 1.00 0.00 C ATOM 516 CD2 LEU A 37 -4.533 -5.386 6.413 1.00 0.00 C ATOM 0 H LEU A 37 -4.173 -6.611 2.252 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.799 -4.961 4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.571 -7.867 4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.667 -7.089 5.508 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.449 -6.223 4.689 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.280 -7.483 6.630 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.554 -8.547 5.401 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.652 -8.155 6.884 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.479 -5.144 6.897 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.799 -5.665 7.169 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.175 -4.516 5.863 1.00 0.00 H new ATOM 528 N VAL A 38 -0.513 -5.503 3.701 1.00 0.00 N ATOM 529 CA VAL A 38 0.861 -5.715 3.278 1.00 0.00 C ATOM 530 C VAL A 38 1.729 -6.003 4.504 1.00 0.00 C ATOM 531 O VAL A 38 2.090 -5.088 5.243 1.00 0.00 O ATOM 532 CB VAL A 38 1.350 -4.512 2.469 1.00 0.00 C ATOM 533 CG1 VAL A 38 2.754 -4.760 1.913 1.00 0.00 C ATOM 534 CG2 VAL A 38 0.368 -4.171 1.346 1.00 0.00 C ATOM 0 H VAL A 38 -0.637 -4.763 4.392 1.00 0.00 H new ATOM 0 HA VAL A 38 0.929 -6.582 2.621 1.00 0.00 H new ATOM 0 HB VAL A 38 1.402 -3.655 3.140 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.078 -3.890 1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.447 -4.932 2.737 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.739 -5.635 1.263 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.739 -3.312 0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.270 -5.026 0.677 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.605 -3.932 1.774 1.00 0.00 H new ATOM 544 N ASN A 39 2.039 -7.279 4.683 1.00 0.00 N ATOM 545 CA ASN A 39 2.858 -7.700 5.807 1.00 0.00 C ATOM 546 C ASN A 39 4.314 -7.309 5.546 1.00 0.00 C ATOM 547 O ASN A 39 4.903 -7.725 4.549 1.00 0.00 O ATOM 548 CB ASN A 39 2.801 -9.217 5.992 1.00 0.00 C ATOM 549 CG ASN A 39 3.171 -9.609 7.425 1.00 0.00 C ATOM 550 OD1 ASN A 39 4.067 -9.052 8.037 1.00 0.00 O ATOM 551 ND2 ASN A 39 2.432 -10.596 7.923 1.00 0.00 N ATOM 0 H ASN A 39 1.738 -8.035 4.068 1.00 0.00 H new ATOM 0 HA ASN A 39 2.476 -7.213 6.704 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.799 -9.578 5.760 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.484 -9.698 5.292 1.00 0.00 H new ATOM 0 HD21 ASN A 39 2.600 -10.930 8.872 1.00 0.00 H new ATOM 0 HD22 ASN A 39 1.697 -11.019 7.356 1.00 0.00 H new ATOM 558 N MET A 40 4.853 -6.514 6.459 1.00 0.00 N ATOM 559 CA MET A 40 6.229 -6.063 6.340 1.00 0.00 C ATOM 560 C MET A 40 7.121 -6.741 7.382 1.00 0.00 C ATOM 561 O MET A 40 8.038 -6.121 7.917 1.00 0.00 O ATOM 562 CB MET A 40 6.287 -4.546 6.528 1.00 0.00 C ATOM 563 CG MET A 40 5.443 -3.830 5.471 1.00 0.00 C ATOM 564 SD MET A 40 6.330 -3.765 3.923 1.00 0.00 S ATOM 565 CE MET A 40 7.679 -2.691 4.383 1.00 0.00 C ATOM 0 H MET A 40 4.361 -6.171 7.284 1.00 0.00 H new ATOM 0 HA MET A 40 6.594 -6.330 5.348 1.00 0.00 H new ATOM 0 HB2 MET A 40 5.927 -4.285 7.523 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.321 -4.207 6.464 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.496 -4.352 5.335 1.00 0.00 H new ATOM 0 HG3 MET A 40 5.205 -2.820 5.806 1.00 0.00 H new ATOM 0 HE1 MET A 40 7.573 -1.734 3.871 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.664 -2.530 5.461 1.00 0.00 H new ATOM 0 HE3 MET A 40 8.625 -3.152 4.098 1.00 0.00 H new ATOM 575 N ALA A 41 6.819 -8.006 7.639 1.00 0.00 N ATOM 576 CA ALA A 41 7.582 -8.775 8.608 1.00 0.00 C ATOM 577 C ALA A 41 9.001 -8.989 8.079 1.00 0.00 C ATOM 578 O ALA A 41 9.913 -9.299 8.844 1.00 0.00 O ATOM 579 CB ALA A 41 6.861 -10.094 8.894 1.00 0.00 C ATOM 0 H ALA A 41 6.057 -8.517 7.193 1.00 0.00 H new ATOM 0 HA ALA A 41 7.660 -8.235 9.551 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.433 -10.671 9.621 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.869 -9.887 9.295 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.767 -10.665 7.970 1.00 0.00 H new ATOM 585 N SER A 42 9.144 -8.815 6.773 1.00 0.00 N ATOM 586 CA SER A 42 10.437 -8.985 6.133 1.00 0.00 C ATOM 587 C SER A 42 11.140 -7.632 6.004 1.00 0.00 C ATOM 588 O SER A 42 12.351 -7.575 5.795 1.00 0.00 O ATOM 589 CB SER A 42 10.289 -9.639 4.757 1.00 0.00 C ATOM 590 OG SER A 42 10.348 -11.061 4.833 1.00 0.00 O ATOM 0 H SER A 42 8.386 -8.558 6.141 1.00 0.00 H new ATOM 0 HA SER A 42 11.042 -9.644 6.756 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.340 -9.339 4.313 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.078 -9.278 4.097 1.00 0.00 H new ATOM 0 HG SER A 42 10.248 -11.441 3.935 1.00 0.00 H new ATOM 596 N PHE A 43 10.350 -6.576 6.134 1.00 0.00 N ATOM 597 CA PHE A 43 10.881 -5.228 6.034 1.00 0.00 C ATOM 598 C PHE A 43 10.126 -4.271 6.959 1.00 0.00 C ATOM 599 O PHE A 43 9.408 -3.388 6.493 1.00 0.00 O ATOM 600 CB PHE A 43 10.687 -4.776 4.585 1.00 0.00 C ATOM 601 CG PHE A 43 11.565 -5.523 3.578 1.00 0.00 C ATOM 602 CD1 PHE A 43 11.191 -6.751 3.130 1.00 0.00 C ATOM 603 CD2 PHE A 43 12.719 -4.958 3.132 1.00 0.00 C ATOM 604 CE1 PHE A 43 12.006 -7.444 2.196 1.00 0.00 C ATOM 605 CE2 PHE A 43 13.533 -5.650 2.198 1.00 0.00 C ATOM 606 CZ PHE A 43 13.160 -6.879 1.749 1.00 0.00 C ATOM 0 H PHE A 43 9.346 -6.627 6.308 1.00 0.00 H new ATOM 0 HA PHE A 43 11.931 -5.220 6.325 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.641 -4.911 4.310 1.00 0.00 H new ATOM 0 HB3 PHE A 43 10.900 -3.709 4.516 1.00 0.00 H new ATOM 0 HD1 PHE A 43 10.275 -7.199 3.484 1.00 0.00 H new ATOM 0 HD2 PHE A 43 13.016 -3.983 3.489 1.00 0.00 H new ATOM 0 HE1 PHE A 43 11.710 -8.420 1.840 1.00 0.00 H new ATOM 0 HE2 PHE A 43 14.449 -5.201 1.843 1.00 0.00 H new ATOM 0 HZ PHE A 43 13.780 -7.406 1.038 1.00 0.00 H new ATOM 616 N PRO A 44 10.318 -4.485 8.288 1.00 0.00 N ATOM 617 CA PRO A 44 9.663 -3.653 9.283 1.00 0.00 C ATOM 618 C PRO A 44 10.330 -2.278 9.372 1.00 0.00 C ATOM 619 O PRO A 44 9.759 -1.343 9.931 1.00 0.00 O ATOM 620 CB PRO A 44 9.755 -4.442 10.579 1.00 0.00 C ATOM 621 CG PRO A 44 10.857 -5.467 10.366 1.00 0.00 C ATOM 622 CD PRO A 44 11.161 -5.521 8.877 1.00 0.00 C ATOM 0 HA PRO A 44 8.623 -3.441 9.035 1.00 0.00 H new ATOM 0 HB2 PRO A 44 9.988 -3.787 11.419 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.807 -4.929 10.808 1.00 0.00 H new ATOM 0 HG2 PRO A 44 11.749 -5.191 10.928 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.543 -6.446 10.727 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.216 -5.331 8.681 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.931 -6.502 8.461 1.00 0.00 H new ATOM 630 N GLU A 45 11.529 -2.200 8.813 1.00 0.00 N ATOM 631 CA GLU A 45 12.279 -0.955 8.823 1.00 0.00 C ATOM 632 C GLU A 45 11.934 -0.118 7.589 1.00 0.00 C ATOM 633 O GLU A 45 12.236 1.073 7.539 1.00 0.00 O ATOM 634 CB GLU A 45 13.783 -1.223 8.901 1.00 0.00 C ATOM 635 CG GLU A 45 14.165 -1.815 10.259 1.00 0.00 C ATOM 636 CD GLU A 45 15.586 -2.382 10.230 1.00 0.00 C ATOM 637 OE1 GLU A 45 15.942 -2.968 9.185 1.00 0.00 O ATOM 638 OE2 GLU A 45 16.284 -2.217 11.254 1.00 0.00 O ATOM 0 H GLU A 45 11.999 -2.978 8.351 1.00 0.00 H new ATOM 0 HA GLU A 45 11.997 -0.390 9.711 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.075 -1.909 8.106 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.330 -0.295 8.738 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.092 -1.046 11.028 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.461 -2.602 10.527 1.00 0.00 H new ATOM 645 N CYS A 46 11.306 -0.775 6.625 1.00 0.00 N ATOM 646 CA CYS A 46 10.917 -0.106 5.395 1.00 0.00 C ATOM 647 C CYS A 46 9.394 0.035 5.386 1.00 0.00 C ATOM 648 O CYS A 46 8.798 0.304 4.344 1.00 0.00 O ATOM 649 CB CYS A 46 11.428 -0.851 4.160 1.00 0.00 C ATOM 650 SG CYS A 46 12.899 0.000 3.480 1.00 0.00 S ATOM 0 H CYS A 46 11.057 -1.763 6.671 1.00 0.00 H new ATOM 0 HA CYS A 46 11.373 0.883 5.356 1.00 0.00 H new ATOM 0 HB2 CYS A 46 11.681 -1.878 4.423 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.644 -0.900 3.404 1.00 0.00 H new ATOM 0 HG CYS A 46 13.570 -0.824 2.731 1.00 0.00 H new ATOM 656 N THR A 47 8.807 -0.153 6.559 1.00 0.00 N ATOM 657 CA THR A 47 7.364 -0.049 6.700 1.00 0.00 C ATOM 658 C THR A 47 6.881 1.326 6.237 1.00 0.00 C ATOM 659 O THR A 47 6.069 1.426 5.317 1.00 0.00 O ATOM 660 CB THR A 47 7.008 -0.361 8.155 1.00 0.00 C ATOM 661 OG1 THR A 47 7.399 -1.720 8.324 1.00 0.00 O ATOM 662 CG2 THR A 47 5.497 -0.374 8.397 1.00 0.00 C ATOM 0 H THR A 47 9.305 -0.377 7.421 1.00 0.00 H new ATOM 0 HA THR A 47 6.851 -0.770 6.063 1.00 0.00 H new ATOM 0 HB THR A 47 7.474 0.376 8.809 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.934 -2.100 9.099 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.298 -0.600 9.445 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.081 0.603 8.151 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.034 -1.134 7.768 1.00 0.00 H new ATOM 670 N ALA A 48 7.399 2.353 6.894 1.00 0.00 N ATOM 671 CA ALA A 48 7.030 3.718 6.561 1.00 0.00 C ATOM 672 C ALA A 48 7.282 3.961 5.072 1.00 0.00 C ATOM 673 O ALA A 48 6.410 4.466 4.366 1.00 0.00 O ATOM 674 CB ALA A 48 7.810 4.689 7.451 1.00 0.00 C ATOM 0 H ALA A 48 8.072 2.267 7.656 1.00 0.00 H new ATOM 0 HA ALA A 48 5.969 3.885 6.747 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.533 5.713 7.202 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.574 4.494 8.497 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.879 4.552 7.289 1.00 0.00 H new ATOM 680 N ALA A 49 8.478 3.591 4.639 1.00 0.00 N ATOM 681 CA ALA A 49 8.855 3.763 3.246 1.00 0.00 C ATOM 682 C ALA A 49 7.661 3.423 2.353 1.00 0.00 C ATOM 683 O ALA A 49 7.223 4.249 1.554 1.00 0.00 O ATOM 684 CB ALA A 49 10.079 2.897 2.938 1.00 0.00 C ATOM 0 H ALA A 49 9.198 3.173 5.228 1.00 0.00 H new ATOM 0 HA ALA A 49 9.130 4.799 3.048 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.362 3.026 1.893 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.908 3.198 3.578 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.840 1.850 3.123 1.00 0.00 H new ATOM 690 N ALA A 50 7.167 2.204 2.518 1.00 0.00 N ATOM 691 CA ALA A 50 6.032 1.745 1.736 1.00 0.00 C ATOM 692 C ALA A 50 4.910 2.783 1.814 1.00 0.00 C ATOM 693 O ALA A 50 4.534 3.372 0.802 1.00 0.00 O ATOM 694 CB ALA A 50 5.588 0.370 2.240 1.00 0.00 C ATOM 0 H ALA A 50 7.532 1.521 3.182 1.00 0.00 H new ATOM 0 HA ALA A 50 6.308 1.636 0.687 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.736 0.025 1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.410 -0.338 2.137 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.301 0.442 3.289 1.00 0.00 H new ATOM 700 N ILE A 51 4.409 2.976 3.025 1.00 0.00 N ATOM 701 CA ILE A 51 3.339 3.933 3.248 1.00 0.00 C ATOM 702 C ILE A 51 3.604 5.191 2.418 1.00 0.00 C ATOM 703 O ILE A 51 2.716 5.674 1.717 1.00 0.00 O ATOM 704 CB ILE A 51 3.169 4.208 4.744 1.00 0.00 C ATOM 705 CG1 ILE A 51 2.396 3.076 5.425 1.00 0.00 C ATOM 706 CG2 ILE A 51 2.515 5.571 4.980 1.00 0.00 C ATOM 707 CD1 ILE A 51 3.080 2.651 6.726 1.00 0.00 C ATOM 0 H ILE A 51 4.724 2.486 3.862 1.00 0.00 H new ATOM 0 HA ILE A 51 2.386 3.524 2.912 1.00 0.00 H new ATOM 0 HB ILE A 51 4.159 4.242 5.200 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.377 3.401 5.635 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.325 2.222 4.751 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.406 5.742 6.051 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.140 6.354 4.550 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.533 5.590 4.508 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.511 1.846 7.190 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.090 2.303 6.509 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.127 3.501 7.407 1.00 0.00 H new ATOM 719 N LYS A 52 4.828 5.684 2.526 1.00 0.00 N ATOM 720 CA LYS A 52 5.221 6.876 1.793 1.00 0.00 C ATOM 721 C LYS A 52 4.886 6.694 0.312 1.00 0.00 C ATOM 722 O LYS A 52 4.019 7.385 -0.222 1.00 0.00 O ATOM 723 CB LYS A 52 6.693 7.205 2.055 1.00 0.00 C ATOM 724 CG LYS A 52 6.838 8.569 2.733 1.00 0.00 C ATOM 725 CD LYS A 52 7.938 8.539 3.796 1.00 0.00 C ATOM 726 CE LYS A 52 9.172 9.313 3.329 1.00 0.00 C ATOM 727 NZ LYS A 52 9.739 10.105 4.443 1.00 0.00 N ATOM 0 H LYS A 52 5.561 5.281 3.110 1.00 0.00 H new ATOM 0 HA LYS A 52 4.657 7.741 2.143 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.135 6.433 2.685 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.243 7.202 1.114 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.070 9.328 1.986 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.891 8.853 3.192 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.564 8.970 4.724 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.212 7.506 4.012 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.922 8.619 2.950 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.904 9.974 2.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.576 10.624 4.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.027 10.780 4.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.013 9.468 5.218 1.00 0.00 H new ATOM 741 N ALA A 53 5.590 5.760 -0.310 1.00 0.00 N ATOM 742 CA ALA A 53 5.377 5.477 -1.720 1.00 0.00 C ATOM 743 C ALA A 53 3.913 5.743 -2.074 1.00 0.00 C ATOM 744 O ALA A 53 3.620 6.554 -2.951 1.00 0.00 O ATOM 745 CB ALA A 53 5.798 4.037 -2.021 1.00 0.00 C ATOM 0 H ALA A 53 6.308 5.189 0.136 1.00 0.00 H new ATOM 0 HA ALA A 53 5.990 6.132 -2.340 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.638 3.825 -3.078 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.853 3.909 -1.780 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.203 3.350 -1.419 1.00 0.00 H new ATOM 751 N ILE A 54 3.032 5.045 -1.373 1.00 0.00 N ATOM 752 CA ILE A 54 1.605 5.196 -1.603 1.00 0.00 C ATOM 753 C ILE A 54 1.255 6.685 -1.649 1.00 0.00 C ATOM 754 O ILE A 54 0.855 7.200 -2.692 1.00 0.00 O ATOM 755 CB ILE A 54 0.808 4.409 -0.560 1.00 0.00 C ATOM 756 CG1 ILE A 54 1.038 2.904 -0.715 1.00 0.00 C ATOM 757 CG2 ILE A 54 -0.677 4.771 -0.617 1.00 0.00 C ATOM 758 CD1 ILE A 54 1.736 2.326 0.517 1.00 0.00 C ATOM 0 H ILE A 54 3.278 4.374 -0.646 1.00 0.00 H new ATOM 0 HA ILE A 54 1.328 4.773 -2.568 1.00 0.00 H new ATOM 0 HB ILE A 54 1.170 4.690 0.429 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.083 2.400 -0.866 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.642 2.714 -1.602 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.220 4.198 0.134 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.800 5.836 -0.420 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.071 4.538 -1.606 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.887 1.255 0.381 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.701 2.815 0.651 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.118 2.496 1.399 1.00 0.00 H new ATOM 770 N ARG A 55 1.417 7.334 -0.505 1.00 0.00 N ATOM 771 CA ARG A 55 1.123 8.753 -0.402 1.00 0.00 C ATOM 772 C ARG A 55 1.957 9.543 -1.413 1.00 0.00 C ATOM 773 O ARG A 55 1.650 10.696 -1.711 1.00 0.00 O ATOM 774 CB ARG A 55 1.413 9.275 1.006 1.00 0.00 C ATOM 775 CG ARG A 55 0.332 8.824 1.991 1.00 0.00 C ATOM 776 CD ARG A 55 0.942 8.030 3.149 1.00 0.00 C ATOM 777 NE ARG A 55 1.719 8.933 4.027 1.00 0.00 N ATOM 778 CZ ARG A 55 1.169 9.836 4.851 1.00 0.00 C ATOM 779 NH1 ARG A 55 -0.163 9.962 4.913 1.00 0.00 N ATOM 780 NH2 ARG A 55 1.953 10.612 5.612 1.00 0.00 N ATOM 0 H ARG A 55 1.748 6.903 0.358 1.00 0.00 H new ATOM 0 HA ARG A 55 0.063 8.888 -0.616 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.386 8.914 1.338 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.465 10.364 0.991 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.196 9.694 2.380 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.404 8.210 1.472 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.153 7.542 3.722 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.588 7.242 2.761 1.00 0.00 H new ATOM 0 HE ARG A 55 2.736 8.864 4.004 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.759 9.371 4.333 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.582 10.649 5.540 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.967 10.515 5.564 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.535 11.299 6.239 1.00 0.00 H new ATOM 794 N GLU A 56 2.997 8.891 -1.911 1.00 0.00 N ATOM 795 CA GLU A 56 3.879 9.518 -2.882 1.00 0.00 C ATOM 796 C GLU A 56 3.719 8.853 -4.251 1.00 0.00 C ATOM 797 O GLU A 56 4.630 8.896 -5.076 1.00 0.00 O ATOM 798 CB GLU A 56 5.334 9.467 -2.414 1.00 0.00 C ATOM 799 CG GLU A 56 5.538 10.323 -1.163 1.00 0.00 C ATOM 800 CD GLU A 56 6.810 11.167 -1.276 1.00 0.00 C ATOM 801 OE1 GLU A 56 6.704 12.281 -1.833 1.00 0.00 O ATOM 802 OE2 GLU A 56 7.859 10.678 -0.804 1.00 0.00 O ATOM 0 H GLU A 56 3.249 7.935 -1.661 1.00 0.00 H new ATOM 0 HA GLU A 56 3.599 10.567 -2.975 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.616 8.435 -2.203 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.989 9.820 -3.211 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.676 10.975 -1.020 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.601 9.680 -0.285 1.00 0.00 H new ATOM 809 N SER A 57 2.555 8.252 -4.449 1.00 0.00 N ATOM 810 CA SER A 57 2.264 7.579 -5.704 1.00 0.00 C ATOM 811 C SER A 57 1.065 8.240 -6.387 1.00 0.00 C ATOM 812 O SER A 57 0.061 7.583 -6.657 1.00 0.00 O ATOM 813 CB SER A 57 1.993 6.090 -5.480 1.00 0.00 C ATOM 814 OG SER A 57 3.189 5.316 -5.534 1.00 0.00 O ATOM 0 H SER A 57 1.802 8.217 -3.762 1.00 0.00 H new ATOM 0 HA SER A 57 3.137 7.669 -6.351 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.514 5.950 -4.511 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.294 5.731 -6.236 1.00 0.00 H new ATOM 0 HG SER A 57 3.721 5.479 -4.727 1.00 0.00 H new ATOM 820 N GLY A 58 1.210 9.531 -6.647 1.00 0.00 N ATOM 821 CA GLY A 58 0.152 10.288 -7.293 1.00 0.00 C ATOM 822 C GLY A 58 -1.225 9.830 -6.807 1.00 0.00 C ATOM 823 O GLY A 58 -2.180 9.792 -7.581 1.00 0.00 O ATOM 0 H GLY A 58 2.045 10.072 -6.422 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.280 11.350 -7.085 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.220 10.165 -8.374 1.00 0.00 H new ATOM 827 N MET A 59 -1.283 9.495 -5.526 1.00 0.00 N ATOM 828 CA MET A 59 -2.527 9.042 -4.927 1.00 0.00 C ATOM 829 C MET A 59 -2.733 9.672 -3.548 1.00 0.00 C ATOM 830 O MET A 59 -1.889 9.529 -2.664 1.00 0.00 O ATOM 831 CB MET A 59 -2.504 7.518 -4.794 1.00 0.00 C ATOM 832 CG MET A 59 -3.176 6.853 -5.997 1.00 0.00 C ATOM 833 SD MET A 59 -3.467 5.125 -5.656 1.00 0.00 S ATOM 834 CE MET A 59 -1.786 4.525 -5.637 1.00 0.00 C ATOM 0 H MET A 59 -0.489 9.528 -4.887 1.00 0.00 H new ATOM 0 HA MET A 59 -3.351 9.347 -5.572 1.00 0.00 H new ATOM 0 HB2 MET A 59 -1.474 7.172 -4.711 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.015 7.221 -3.878 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.119 7.352 -6.219 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.545 6.957 -6.880 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.685 3.703 -6.346 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.109 5.332 -5.917 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.537 4.173 -4.636 1.00 0.00 H new ATOM 844 N ASN A 60 -3.859 10.355 -3.407 1.00 0.00 N ATOM 845 CA ASN A 60 -4.187 11.007 -2.150 1.00 0.00 C ATOM 846 C ASN A 60 -4.922 10.017 -1.244 1.00 0.00 C ATOM 847 O ASN A 60 -5.934 10.362 -0.635 1.00 0.00 O ATOM 848 CB ASN A 60 -5.102 12.211 -2.377 1.00 0.00 C ATOM 849 CG ASN A 60 -5.036 13.181 -1.195 1.00 0.00 C ATOM 850 OD1 ASN A 60 -4.251 13.024 -0.274 1.00 0.00 O ATOM 851 ND2 ASN A 60 -5.900 14.188 -1.272 1.00 0.00 N ATOM 0 H ASN A 60 -4.556 10.471 -4.142 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.257 11.343 -1.691 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.810 12.727 -3.292 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.128 11.871 -2.516 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.933 14.889 -0.532 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.530 14.260 -2.071 1.00 0.00 H new ATOM 858 N LEU A 61 -4.385 8.808 -1.182 1.00 0.00 N ATOM 859 CA LEU A 61 -4.977 7.767 -0.360 1.00 0.00 C ATOM 860 C LEU A 61 -4.424 7.869 1.063 1.00 0.00 C ATOM 861 O LEU A 61 -3.387 8.491 1.286 1.00 0.00 O ATOM 862 CB LEU A 61 -4.770 6.394 -1.003 1.00 0.00 C ATOM 863 CG LEU A 61 -5.510 6.151 -2.320 1.00 0.00 C ATOM 864 CD1 LEU A 61 -6.780 5.328 -2.092 1.00 0.00 C ATOM 865 CD2 LEU A 61 -5.804 7.472 -3.035 1.00 0.00 C ATOM 0 H LEU A 61 -3.546 8.526 -1.688 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.056 7.903 -0.293 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.703 6.254 -1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.079 5.630 -0.289 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.861 5.568 -2.974 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.287 5.170 -3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.516 4.364 -1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.443 5.863 -1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.330 7.271 -3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.424 8.101 -2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.867 7.986 -3.250 1.00 0.00 H new ATOM 877 N ASN A 62 -5.141 7.249 1.988 1.00 0.00 N ATOM 878 CA ASN A 62 -4.735 7.262 3.383 1.00 0.00 C ATOM 879 C ASN A 62 -4.415 5.835 3.831 1.00 0.00 C ATOM 880 O ASN A 62 -5.281 5.135 4.352 1.00 0.00 O ATOM 881 CB ASN A 62 -5.854 7.799 4.278 1.00 0.00 C ATOM 882 CG ASN A 62 -5.308 8.230 5.640 1.00 0.00 C ATOM 883 OD1 ASN A 62 -4.856 7.426 6.440 1.00 0.00 O ATOM 884 ND2 ASN A 62 -5.375 9.540 5.860 1.00 0.00 N ATOM 0 H ASN A 62 -6.001 6.734 1.799 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.861 7.907 3.473 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -6.338 8.646 3.792 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.616 7.031 4.414 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.036 9.927 6.741 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.765 10.157 5.148 1.00 0.00 H new ATOM 891 N PRO A 63 -3.135 5.435 3.604 1.00 0.00 N ATOM 892 CA PRO A 63 -2.689 4.103 3.978 1.00 0.00 C ATOM 893 C PRO A 63 -2.492 3.996 5.492 1.00 0.00 C ATOM 894 O PRO A 63 -2.078 4.958 6.137 1.00 0.00 O ATOM 895 CB PRO A 63 -1.406 3.883 3.195 1.00 0.00 C ATOM 896 CG PRO A 63 -0.933 5.265 2.773 1.00 0.00 C ATOM 897 CD PRO A 63 -2.081 6.237 2.989 1.00 0.00 C ATOM 0 HA PRO A 63 -3.422 3.332 3.740 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.655 3.383 3.808 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.582 3.248 2.326 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.063 5.566 3.357 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.628 5.261 1.727 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.784 7.063 3.635 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.414 6.673 2.047 1.00 0.00 H new ATOM 905 N GLU A 64 -2.798 2.817 6.014 1.00 0.00 N ATOM 906 CA GLU A 64 -2.660 2.572 7.440 1.00 0.00 C ATOM 907 C GLU A 64 -1.422 1.715 7.713 1.00 0.00 C ATOM 908 O GLU A 64 -0.797 1.206 6.783 1.00 0.00 O ATOM 909 CB GLU A 64 -3.919 1.914 8.008 1.00 0.00 C ATOM 910 CG GLU A 64 -4.803 2.942 8.716 1.00 0.00 C ATOM 911 CD GLU A 64 -6.173 3.045 8.041 1.00 0.00 C ATOM 912 OE1 GLU A 64 -6.892 2.023 8.060 1.00 0.00 O ATOM 913 OE2 GLU A 64 -6.469 4.143 7.522 1.00 0.00 O ATOM 0 H GLU A 64 -3.141 2.021 5.475 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.533 3.530 7.943 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.480 1.439 7.203 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.638 1.127 8.708 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.929 2.660 9.761 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.314 3.916 8.705 1.00 0.00 H new ATOM 920 N VAL A 65 -1.105 1.581 8.992 1.00 0.00 N ATOM 921 CA VAL A 65 0.046 0.794 9.400 1.00 0.00 C ATOM 922 C VAL A 65 -0.145 0.328 10.845 1.00 0.00 C ATOM 923 O VAL A 65 -0.268 1.148 11.753 1.00 0.00 O ATOM 924 CB VAL A 65 1.330 1.601 9.196 1.00 0.00 C ATOM 925 CG1 VAL A 65 1.461 2.698 10.254 1.00 0.00 C ATOM 926 CG2 VAL A 65 2.558 0.688 9.198 1.00 0.00 C ATOM 0 H VAL A 65 -1.626 2.005 9.760 1.00 0.00 H new ATOM 0 HA VAL A 65 0.137 -0.099 8.781 1.00 0.00 H new ATOM 0 HB VAL A 65 1.272 2.082 8.220 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.382 3.257 10.087 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.609 3.374 10.185 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.486 2.246 11.246 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.457 1.287 9.051 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.622 0.166 10.153 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.471 -0.040 8.391 1.00 0.00 H new ATOM 936 N GLU A 66 -0.163 -0.986 11.012 1.00 0.00 N ATOM 937 CA GLU A 66 -0.337 -1.570 12.331 1.00 0.00 C ATOM 938 C GLU A 66 0.781 -2.575 12.618 1.00 0.00 C ATOM 939 O GLU A 66 0.774 -3.685 12.087 1.00 0.00 O ATOM 940 CB GLU A 66 -1.712 -2.227 12.463 1.00 0.00 C ATOM 941 CG GLU A 66 -2.363 -1.872 13.801 1.00 0.00 C ATOM 942 CD GLU A 66 -3.478 -2.861 14.147 1.00 0.00 C ATOM 943 OE1 GLU A 66 -4.328 -3.092 13.260 1.00 0.00 O ATOM 944 OE2 GLU A 66 -3.456 -3.363 15.292 1.00 0.00 O ATOM 0 H GLU A 66 -0.060 -1.663 10.256 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.280 -0.772 13.071 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.354 -1.902 11.644 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.612 -3.309 12.379 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.610 -1.877 14.589 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.769 -0.862 13.755 1.00 0.00 H new ATOM 951 N GLY A 67 1.714 -2.150 13.457 1.00 0.00 N ATOM 952 CA GLY A 67 2.836 -2.999 13.820 1.00 0.00 C ATOM 953 C GLY A 67 3.756 -3.235 12.621 1.00 0.00 C ATOM 954 O GLY A 67 4.751 -2.533 12.449 1.00 0.00 O ATOM 0 H GLY A 67 1.716 -1.229 13.896 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.400 -2.536 14.630 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.468 -3.954 14.194 1.00 0.00 H new ATOM 958 N THR A 68 3.391 -4.228 11.822 1.00 0.00 N ATOM 959 CA THR A 68 4.171 -4.566 10.644 1.00 0.00 C ATOM 960 C THR A 68 3.253 -4.775 9.439 1.00 0.00 C ATOM 961 O THR A 68 3.701 -5.218 8.382 1.00 0.00 O ATOM 962 CB THR A 68 5.025 -5.791 10.978 1.00 0.00 C ATOM 963 OG1 THR A 68 4.227 -6.529 11.899 1.00 0.00 O ATOM 964 CG2 THR A 68 6.279 -5.430 11.777 1.00 0.00 C ATOM 0 H THR A 68 2.565 -4.809 11.968 1.00 0.00 H new ATOM 0 HA THR A 68 4.840 -3.752 10.365 1.00 0.00 H new ATOM 0 HB THR A 68 5.315 -6.294 10.056 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.704 -7.342 12.167 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.849 -6.335 11.988 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.893 -4.740 11.198 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.989 -4.957 12.715 1.00 0.00 H new ATOM 972 N LEU A 69 1.985 -4.448 9.637 1.00 0.00 N ATOM 973 CA LEU A 69 0.999 -4.595 8.580 1.00 0.00 C ATOM 974 C LEU A 69 0.600 -3.210 8.064 1.00 0.00 C ATOM 975 O LEU A 69 0.685 -2.224 8.794 1.00 0.00 O ATOM 976 CB LEU A 69 -0.184 -5.435 9.063 1.00 0.00 C ATOM 977 CG LEU A 69 -0.258 -6.864 8.519 1.00 0.00 C ATOM 978 CD1 LEU A 69 -0.717 -6.872 7.060 1.00 0.00 C ATOM 979 CD2 LEU A 69 1.075 -7.591 8.705 1.00 0.00 C ATOM 0 H LEU A 69 1.617 -4.081 10.515 1.00 0.00 H new ATOM 0 HA LEU A 69 1.424 -5.140 7.737 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.150 -5.483 10.151 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.105 -4.917 8.795 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.005 -7.410 9.094 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.761 -7.899 6.698 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.706 -6.419 6.987 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.012 -6.304 6.454 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.995 -8.604 8.310 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.860 -7.054 8.172 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.321 -7.634 9.766 1.00 0.00 H new ATOM 991 N ILE A 70 0.174 -3.181 6.810 1.00 0.00 N ATOM 992 CA ILE A 70 -0.238 -1.934 6.189 1.00 0.00 C ATOM 993 C ILE A 70 -1.649 -2.095 5.619 1.00 0.00 C ATOM 994 O ILE A 70 -1.888 -2.961 4.778 1.00 0.00 O ATOM 995 CB ILE A 70 0.795 -1.484 5.154 1.00 0.00 C ATOM 996 CG1 ILE A 70 2.211 -1.547 5.730 1.00 0.00 C ATOM 997 CG2 ILE A 70 0.459 -0.093 4.612 1.00 0.00 C ATOM 998 CD1 ILE A 70 3.221 -0.906 4.776 1.00 0.00 C ATOM 0 H ILE A 70 0.105 -4.001 6.207 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.282 -1.136 6.930 1.00 0.00 H new ATOM 0 HB ILE A 70 0.758 -2.175 4.312 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.239 -1.035 6.692 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.487 -2.585 5.913 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.209 0.203 3.878 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.523 -0.114 4.139 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.451 0.625 5.432 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.219 -0.964 5.210 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.208 -1.435 3.823 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.956 0.139 4.614 1.00 0.00 H new ATOM 1010 N ARG A 71 -2.547 -1.247 6.099 1.00 0.00 N ATOM 1011 CA ARG A 71 -3.927 -1.285 5.647 1.00 0.00 C ATOM 1012 C ARG A 71 -4.170 -0.206 4.590 1.00 0.00 C ATOM 1013 O ARG A 71 -4.047 0.985 4.873 1.00 0.00 O ATOM 1014 CB ARG A 71 -4.894 -1.072 6.814 1.00 0.00 C ATOM 1015 CG ARG A 71 -5.694 -2.344 7.103 1.00 0.00 C ATOM 1016 CD ARG A 71 -7.058 -2.008 7.710 1.00 0.00 C ATOM 1017 NE ARG A 71 -8.093 -2.910 7.159 1.00 0.00 N ATOM 1018 CZ ARG A 71 -8.182 -4.216 7.446 1.00 0.00 C ATOM 1019 NH1 ARG A 71 -7.298 -4.780 8.280 1.00 0.00 N ATOM 1020 NH2 ARG A 71 -9.155 -4.957 6.899 1.00 0.00 N ATOM 0 H ARG A 71 -2.346 -0.530 6.796 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.107 -2.269 5.214 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.337 -0.779 7.704 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.576 -0.254 6.581 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.831 -2.909 6.181 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.135 -2.982 7.787 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.017 -2.108 8.795 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.316 -0.971 7.495 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.782 -2.513 6.520 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.558 -4.215 8.696 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.366 -5.774 8.499 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.828 -4.527 6.264 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.223 -5.951 7.117 1.00 0.00 H new ATOM 1034 N VAL A 72 -4.509 -0.662 3.393 1.00 0.00 N ATOM 1035 CA VAL A 72 -4.769 0.249 2.291 1.00 0.00 C ATOM 1036 C VAL A 72 -6.217 0.079 1.826 1.00 0.00 C ATOM 1037 O VAL A 72 -6.524 -0.836 1.063 1.00 0.00 O ATOM 1038 CB VAL A 72 -3.751 0.023 1.172 1.00 0.00 C ATOM 1039 CG1 VAL A 72 -4.375 0.286 -0.199 1.00 0.00 C ATOM 1040 CG2 VAL A 72 -2.505 0.885 1.382 1.00 0.00 C ATOM 0 H VAL A 72 -4.610 -1.650 3.162 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.650 1.283 2.615 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.444 -1.022 1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.630 0.118 -0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.217 -0.390 -0.351 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.724 1.317 -0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.797 0.705 0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.788 1.938 1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.041 0.627 2.334 1.00 0.00 H new ATOM 1050 N PRO A 73 -7.090 0.999 2.316 1.00 0.00 N ATOM 1051 CA PRO A 73 -8.498 0.959 1.958 1.00 0.00 C ATOM 1052 C PRO A 73 -8.715 1.464 0.530 1.00 0.00 C ATOM 1053 O PRO A 73 -8.134 2.471 0.129 1.00 0.00 O ATOM 1054 CB PRO A 73 -9.194 1.816 3.003 1.00 0.00 C ATOM 1055 CG PRO A 73 -8.107 2.677 3.627 1.00 0.00 C ATOM 1056 CD PRO A 73 -6.762 2.096 3.221 1.00 0.00 C ATOM 0 HA PRO A 73 -8.903 -0.053 1.957 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.969 2.434 2.549 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.681 1.196 3.755 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.195 3.709 3.287 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.206 2.689 4.712 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.140 2.843 2.728 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.206 1.741 4.089 1.00 0.00 H new ATOM 1064 N ILE A 74 -9.554 0.741 -0.198 1.00 0.00 N ATOM 1065 CA ILE A 74 -9.855 1.102 -1.572 1.00 0.00 C ATOM 1066 C ILE A 74 -10.857 2.258 -1.583 1.00 0.00 C ATOM 1067 O ILE A 74 -11.793 2.280 -0.786 1.00 0.00 O ATOM 1068 CB ILE A 74 -10.322 -0.124 -2.359 1.00 0.00 C ATOM 1069 CG1 ILE A 74 -9.304 -1.262 -2.255 1.00 0.00 C ATOM 1070 CG2 ILE A 74 -10.627 0.241 -3.813 1.00 0.00 C ATOM 1071 CD1 ILE A 74 -8.281 -1.189 -3.391 1.00 0.00 C ATOM 0 H ILE A 74 -10.035 -0.093 0.139 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.956 1.453 -2.079 1.00 0.00 H new ATOM 0 HB ILE A 74 -11.251 -0.481 -1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.791 -1.209 -1.295 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.821 -2.221 -2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -10.957 -0.648 -4.350 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -11.414 0.995 -3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.728 0.637 -4.285 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.570 -2.009 -3.293 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.795 -1.267 -4.349 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.749 -0.239 -3.341 1.00 0.00 H new ATOM 1083 N PRO A 75 -10.621 3.215 -2.520 1.00 0.00 N ATOM 1084 CA PRO A 75 -11.492 4.371 -2.646 1.00 0.00 C ATOM 1085 C PRO A 75 -12.814 3.992 -3.316 1.00 0.00 C ATOM 1086 O PRO A 75 -12.839 3.154 -4.217 1.00 0.00 O ATOM 1087 CB PRO A 75 -10.689 5.384 -3.446 1.00 0.00 C ATOM 1088 CG PRO A 75 -9.588 4.593 -4.134 1.00 0.00 C ATOM 1089 CD PRO A 75 -9.522 3.222 -3.482 1.00 0.00 C ATOM 0 HA PRO A 75 -11.782 4.786 -1.681 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.319 5.893 -4.176 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.270 6.152 -2.796 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -9.795 4.499 -5.200 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -8.632 5.107 -4.039 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.636 2.427 -4.219 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -8.563 3.064 -2.989 1.00 0.00 H new