USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 619 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 13 THR OG1 : rot 180:sc= 0.412 USER MOD Set 1.2: A 41 GLN : amide:sc= 1.58 K(o=2,f=-2.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 167:sc= -0.411 (180deg=-0.84) USER MOD Single : A 8 LYS NZ :NH3+ -166:sc= 0.76 (180deg=-0.432!) USER MOD Single : A 12 MET CE :methyl 171:sc= -0.919 (180deg=-1.39) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.507 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 80:sc= 0.244 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 32 GLN : amide:sc= 0.736 K(o=0.74,f=-4.9!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 1.14 K(o=1.1,f=-0.056) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 30:sc= -0.109 USER MOD Single : A 48 GLN : amide:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.5 X(o=-0.5,f=-0.3) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 170:sc= -0.812 (180deg=-0.988) USER MOD Single : A 58 LYS NZ :NH3+ -142:sc= 1.14 (180deg=-3.67!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.616 K(o=-0.62,f=-1.1) USER MOD Single : A 64 MET CE :methyl 176:sc=-0.00527 (180deg=-0.0273) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 153:sc= 0.578 (180deg=-2.72!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.159 -0.617 15.002 1.00 0.00 N ATOM 2 CA GLY A 1 4.223 0.418 15.462 1.00 0.00 C ATOM 3 C GLY A 1 2.866 0.113 14.854 1.00 0.00 C ATOM 4 O GLY A 1 2.221 -0.845 15.264 1.00 0.00 O ATOM 0 H1 GLY A 1 6.101 -0.436 15.403 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.824 -1.551 15.313 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.215 -0.598 13.964 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.162 0.423 16.550 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.566 1.407 15.157 1.00 0.00 H new ATOM 10 N GLU A 2 2.519 0.869 13.819 1.00 0.00 N ATOM 11 CA GLU A 2 1.410 0.669 12.912 1.00 0.00 C ATOM 12 C GLU A 2 1.390 -0.723 12.272 1.00 0.00 C ATOM 13 O GLU A 2 2.309 -1.530 12.447 1.00 0.00 O ATOM 14 CB GLU A 2 1.538 1.747 11.830 1.00 0.00 C ATOM 15 CG GLU A 2 1.032 3.121 12.303 1.00 0.00 C ATOM 16 CD GLU A 2 2.050 3.989 13.030 1.00 0.00 C ATOM 17 OE1 GLU A 2 3.037 3.424 13.555 1.00 0.00 O ATOM 18 OE2 GLU A 2 1.856 5.219 13.003 1.00 0.00 O ATOM 0 H GLU A 2 3.054 1.704 13.579 1.00 0.00 H new ATOM 0 HA GLU A 2 0.475 0.744 13.467 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.582 1.832 11.529 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.976 1.440 10.948 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.668 3.671 11.435 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.179 2.965 12.963 1.00 0.00 H new ATOM 25 N VAL A 3 0.318 -0.976 11.513 1.00 0.00 N ATOM 26 CA VAL A 3 0.031 -2.238 10.876 1.00 0.00 C ATOM 27 C VAL A 3 0.439 -2.124 9.409 1.00 0.00 C ATOM 28 O VAL A 3 0.117 -1.135 8.744 1.00 0.00 O ATOM 29 CB VAL A 3 -1.431 -2.633 11.115 1.00 0.00 C ATOM 30 CG1 VAL A 3 -1.797 -2.632 12.606 1.00 0.00 C ATOM 31 CG2 VAL A 3 -2.406 -1.775 10.332 1.00 0.00 C ATOM 0 H VAL A 3 -0.394 -0.270 11.327 1.00 0.00 H new ATOM 0 HA VAL A 3 0.608 -3.057 11.306 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.521 -3.654 10.745 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.842 -2.918 12.724 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.164 -3.343 13.137 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.645 -1.634 13.017 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.425 -2.100 10.540 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.290 -0.732 10.626 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.204 -1.875 9.266 1.00 0.00 H new ATOM 41 N VAL A 4 1.197 -3.105 8.923 1.00 0.00 N ATOM 42 CA VAL A 4 1.671 -3.190 7.572 1.00 0.00 C ATOM 43 C VAL A 4 0.803 -4.179 6.794 1.00 0.00 C ATOM 44 O VAL A 4 0.779 -5.375 7.095 1.00 0.00 O ATOM 45 CB VAL A 4 3.168 -3.472 7.572 1.00 0.00 C ATOM 46 CG1 VAL A 4 3.572 -4.573 8.519 1.00 0.00 C ATOM 47 CG2 VAL A 4 3.636 -3.808 6.167 1.00 0.00 C ATOM 0 H VAL A 4 1.503 -3.890 9.498 1.00 0.00 H new ATOM 0 HA VAL A 4 1.568 -2.243 7.042 1.00 0.00 H new ATOM 0 HB VAL A 4 3.651 -2.561 7.925 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.651 -4.720 8.467 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.292 -4.299 9.536 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.066 -5.497 8.240 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.707 -4.008 6.178 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.106 -4.690 5.808 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.431 -2.967 5.504 1.00 0.00 H new ATOM 57 N LEU A 5 0.091 -3.675 5.782 1.00 0.00 N ATOM 58 CA LEU A 5 -0.636 -4.526 4.861 1.00 0.00 C ATOM 59 C LEU A 5 0.345 -4.821 3.732 1.00 0.00 C ATOM 60 O LEU A 5 1.079 -3.921 3.311 1.00 0.00 O ATOM 61 CB LEU A 5 -1.946 -3.845 4.421 1.00 0.00 C ATOM 62 CG LEU A 5 -1.781 -2.800 3.318 1.00 0.00 C ATOM 63 CD1 LEU A 5 -1.716 -3.413 1.912 1.00 0.00 C ATOM 64 CD2 LEU A 5 -2.916 -1.767 3.339 1.00 0.00 C ATOM 0 H LEU A 5 0.008 -2.677 5.587 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.968 -5.467 5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.640 -4.611 4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.402 -3.369 5.289 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.829 -2.315 3.532 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.599 -2.619 1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.867 -4.094 1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.636 -3.962 1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.763 -1.042 2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.871 -2.272 3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.922 -1.253 4.300 1.00 0.00 H new ATOM 76 N LYS A 6 0.374 -6.070 3.264 1.00 0.00 N ATOM 77 CA LYS A 6 1.168 -6.492 2.124 1.00 0.00 C ATOM 78 C LYS A 6 0.173 -6.886 1.036 1.00 0.00 C ATOM 79 O LYS A 6 -0.731 -7.691 1.291 1.00 0.00 O ATOM 80 CB LYS A 6 2.059 -7.679 2.519 1.00 0.00 C ATOM 81 CG LYS A 6 3.481 -7.610 1.952 1.00 0.00 C ATOM 82 CD LYS A 6 4.457 -7.116 3.027 1.00 0.00 C ATOM 83 CE LYS A 6 5.904 -7.325 2.564 1.00 0.00 C ATOM 84 NZ LYS A 6 6.860 -7.207 3.685 1.00 0.00 N ATOM 0 H LYS A 6 -0.168 -6.827 3.680 1.00 0.00 H new ATOM 0 HA LYS A 6 1.829 -5.700 1.772 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.115 -7.731 3.606 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.588 -8.602 2.179 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.787 -8.594 1.597 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.505 -6.940 1.093 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.281 -6.060 3.230 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.285 -7.653 3.960 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.001 -8.309 2.106 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.150 -6.591 1.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.828 -7.354 3.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.785 -6.259 4.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.641 -7.924 4.405 1.00 0.00 H new ATOM 98 N MET A 7 0.311 -6.302 -0.154 1.00 0.00 N ATOM 99 CA MET A 7 -0.573 -6.529 -1.268 1.00 0.00 C ATOM 100 C MET A 7 0.230 -6.802 -2.523 1.00 0.00 C ATOM 101 O MET A 7 1.129 -6.045 -2.876 1.00 0.00 O ATOM 102 CB MET A 7 -1.528 -5.346 -1.423 1.00 0.00 C ATOM 103 CG MET A 7 -0.857 -4.040 -1.776 1.00 0.00 C ATOM 104 SD MET A 7 -1.693 -2.478 -1.379 1.00 0.00 S ATOM 105 CE MET A 7 -3.103 -2.492 -2.497 1.00 0.00 C ATOM 0 H MET A 7 1.062 -5.644 -0.362 1.00 0.00 H new ATOM 0 HA MET A 7 -1.184 -7.413 -1.084 1.00 0.00 H new ATOM 0 HB2 MET A 7 -2.259 -5.585 -2.196 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.079 -5.216 -0.492 1.00 0.00 H new ATOM 0 HG2 MET A 7 0.115 -4.027 -1.282 1.00 0.00 H new ATOM 0 HG3 MET A 7 -0.669 -4.048 -2.850 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.811 -1.719 -2.199 1.00 0.00 H new ATOM 0 HE2 MET A 7 -2.763 -2.300 -3.514 1.00 0.00 H new ATOM 0 HE3 MET A 7 -3.591 -3.466 -2.456 1.00 0.00 H new ATOM 115 N LYS A 8 -0.106 -7.899 -3.184 1.00 0.00 N ATOM 116 CA LYS A 8 0.532 -8.258 -4.445 1.00 0.00 C ATOM 117 C LYS A 8 -0.086 -7.398 -5.532 1.00 0.00 C ATOM 118 O LYS A 8 -1.308 -7.329 -5.580 1.00 0.00 O ATOM 119 CB LYS A 8 0.300 -9.732 -4.770 1.00 0.00 C ATOM 120 CG LYS A 8 1.225 -10.662 -3.993 1.00 0.00 C ATOM 121 CD LYS A 8 0.869 -10.813 -2.506 1.00 0.00 C ATOM 122 CE LYS A 8 1.561 -12.039 -1.887 1.00 0.00 C ATOM 123 NZ LYS A 8 3.002 -11.821 -1.649 1.00 0.00 N ATOM 0 H LYS A 8 -0.818 -8.558 -2.869 1.00 0.00 H new ATOM 0 HA LYS A 8 1.607 -8.094 -4.376 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.736 -9.989 -4.548 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.446 -9.891 -5.838 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.207 -11.647 -4.460 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.246 -10.290 -4.074 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.166 -9.914 -1.966 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.211 -10.909 -2.396 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.075 -12.288 -0.944 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.432 -12.896 -2.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.464 -12.733 -1.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.430 -11.384 -2.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.127 -11.192 -0.830 1.00 0.00 H new ATOM 137 N VAL A 9 0.706 -6.752 -6.384 1.00 0.00 N ATOM 138 CA VAL A 9 0.187 -5.922 -7.454 1.00 0.00 C ATOM 139 C VAL A 9 0.708 -6.445 -8.784 1.00 0.00 C ATOM 140 O VAL A 9 1.818 -6.964 -8.832 1.00 0.00 O ATOM 141 CB VAL A 9 0.579 -4.458 -7.222 1.00 0.00 C ATOM 142 CG1 VAL A 9 -0.098 -3.891 -5.969 1.00 0.00 C ATOM 143 CG2 VAL A 9 2.096 -4.228 -7.136 1.00 0.00 C ATOM 0 H VAL A 9 1.725 -6.793 -6.347 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.902 -5.966 -7.471 1.00 0.00 H new ATOM 0 HB VAL A 9 0.225 -3.926 -8.105 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.201 -2.852 -5.833 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.181 -3.945 -6.084 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.204 -4.472 -5.098 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.295 -3.169 -6.971 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.505 -4.807 -6.308 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.565 -4.544 -8.067 1.00 0.00 H new ATOM 153 N GLU A 10 -0.077 -6.305 -9.852 1.00 0.00 N ATOM 154 CA GLU A 10 0.338 -6.704 -11.189 1.00 0.00 C ATOM 155 C GLU A 10 0.650 -5.450 -12.005 1.00 0.00 C ATOM 156 O GLU A 10 0.006 -4.414 -11.833 1.00 0.00 O ATOM 157 CB GLU A 10 -0.772 -7.508 -11.871 1.00 0.00 C ATOM 158 CG GLU A 10 -1.212 -8.748 -11.072 1.00 0.00 C ATOM 159 CD GLU A 10 -0.322 -9.968 -11.291 1.00 0.00 C ATOM 160 OE1 GLU A 10 0.834 -9.776 -11.725 1.00 0.00 O ATOM 161 OE2 GLU A 10 -0.831 -11.081 -11.038 1.00 0.00 O ATOM 0 H GLU A 10 -1.017 -5.912 -9.811 1.00 0.00 H new ATOM 0 HA GLU A 10 1.227 -7.332 -11.122 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.635 -6.861 -12.027 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.428 -7.824 -12.856 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.220 -8.501 -10.010 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.236 -9.002 -11.347 1.00 0.00 H new ATOM 168 N GLY A 11 1.626 -5.550 -12.905 1.00 0.00 N ATOM 169 CA GLY A 11 1.927 -4.547 -13.915 1.00 0.00 C ATOM 170 C GLY A 11 3.143 -3.688 -13.568 1.00 0.00 C ATOM 171 O GLY A 11 3.842 -3.234 -14.473 1.00 0.00 O ATOM 0 H GLY A 11 2.247 -6.358 -12.950 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.101 -5.043 -14.870 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.059 -3.901 -14.046 1.00 0.00 H new ATOM 175 N MET A 12 3.390 -3.422 -12.281 1.00 0.00 N ATOM 176 CA MET A 12 4.417 -2.470 -11.873 1.00 0.00 C ATOM 177 C MET A 12 5.832 -3.038 -12.019 1.00 0.00 C ATOM 178 O MET A 12 6.506 -3.338 -11.037 1.00 0.00 O ATOM 179 CB MET A 12 4.208 -1.985 -10.445 1.00 0.00 C ATOM 180 CG MET A 12 2.819 -1.422 -10.148 1.00 0.00 C ATOM 181 SD MET A 12 2.734 -0.640 -8.517 1.00 0.00 S ATOM 182 CE MET A 12 0.958 -0.739 -8.225 1.00 0.00 C ATOM 0 H MET A 12 2.889 -3.856 -11.506 1.00 0.00 H new ATOM 0 HA MET A 12 4.318 -1.622 -12.550 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.400 -2.815 -9.764 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.949 -1.216 -10.227 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.553 -0.693 -10.913 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.084 -2.225 -10.203 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.742 -0.448 -7.197 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.439 -0.068 -8.909 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.618 -1.761 -8.392 1.00 0.00 H new ATOM 192 N THR A 13 6.296 -3.127 -13.256 1.00 0.00 N ATOM 193 CA THR A 13 7.599 -3.663 -13.617 1.00 0.00 C ATOM 194 C THR A 13 8.537 -2.519 -14.024 1.00 0.00 C ATOM 195 O THR A 13 9.308 -2.653 -14.974 1.00 0.00 O ATOM 196 CB THR A 13 7.414 -4.711 -14.728 1.00 0.00 C ATOM 197 OG1 THR A 13 6.290 -5.523 -14.444 1.00 0.00 O ATOM 198 CG2 THR A 13 8.614 -5.652 -14.843 1.00 0.00 C ATOM 0 H THR A 13 5.757 -2.817 -14.064 1.00 0.00 H new ATOM 0 HA THR A 13 8.065 -4.161 -12.767 1.00 0.00 H new ATOM 0 HB THR A 13 7.293 -4.154 -15.657 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.178 -6.187 -15.156 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.436 -6.373 -15.641 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.509 -5.074 -15.070 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.753 -6.181 -13.900 1.00 0.00 H new ATOM 206 N CYS A 14 8.484 -1.387 -13.318 1.00 0.00 N ATOM 207 CA CYS A 14 9.385 -0.269 -13.534 1.00 0.00 C ATOM 208 C CYS A 14 9.375 0.596 -12.281 1.00 0.00 C ATOM 209 O CYS A 14 8.521 0.415 -11.413 1.00 0.00 O ATOM 210 CB CYS A 14 8.989 0.527 -14.787 1.00 0.00 C ATOM 211 SG CYS A 14 7.456 1.491 -14.685 1.00 0.00 S ATOM 0 H CYS A 14 7.805 -1.226 -12.574 1.00 0.00 H new ATOM 0 HA CYS A 14 10.398 -0.631 -13.713 1.00 0.00 H new ATOM 0 HB2 CYS A 14 9.804 1.208 -15.030 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.898 -0.171 -15.619 1.00 0.00 H new ATOM 216 N HIS A 15 10.316 1.539 -12.203 1.00 0.00 N ATOM 217 CA HIS A 15 10.402 2.487 -11.102 1.00 0.00 C ATOM 218 C HIS A 15 9.373 3.621 -11.236 1.00 0.00 C ATOM 219 O HIS A 15 9.209 4.401 -10.303 1.00 0.00 O ATOM 220 CB HIS A 15 11.842 2.996 -10.959 1.00 0.00 C ATOM 221 CG HIS A 15 12.763 1.958 -10.362 1.00 0.00 C ATOM 222 ND1 HIS A 15 13.211 0.809 -10.976 1.00 0.00 N ATOM 223 CD2 HIS A 15 13.227 1.941 -9.072 1.00 0.00 C ATOM 224 CE1 HIS A 15 13.946 0.130 -10.078 1.00 0.00 C ATOM 225 NE2 HIS A 15 13.986 0.781 -8.905 1.00 0.00 N ATOM 0 H HIS A 15 11.042 1.663 -12.909 1.00 0.00 H new ATOM 0 HA HIS A 15 10.143 1.972 -10.177 1.00 0.00 H new ATOM 0 HB2 HIS A 15 12.219 3.292 -11.938 1.00 0.00 H new ATOM 0 HB3 HIS A 15 11.849 3.888 -10.332 1.00 0.00 H new ATOM 0 HD2 HIS A 15 13.039 2.692 -8.319 1.00 0.00 H new ATOM 0 HE1 HIS A 15 14.438 -0.811 -10.274 1.00 0.00 H new ATOM 0 HE2 HIS A 15 14.474 0.487 -8.059 1.00 0.00 H new ATOM 233 N SER A 16 8.663 3.715 -12.366 1.00 0.00 N ATOM 234 CA SER A 16 7.690 4.776 -12.601 1.00 0.00 C ATOM 235 C SER A 16 6.421 4.547 -11.773 1.00 0.00 C ATOM 236 O SER A 16 6.113 5.352 -10.895 1.00 0.00 O ATOM 237 CB SER A 16 7.391 4.915 -14.102 1.00 0.00 C ATOM 238 OG SER A 16 6.795 6.171 -14.359 1.00 0.00 O ATOM 0 H SER A 16 8.750 3.056 -13.140 1.00 0.00 H new ATOM 0 HA SER A 16 8.118 5.722 -12.270 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.312 4.815 -14.676 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.726 4.114 -14.425 1.00 0.00 H new ATOM 0 HG SER A 16 6.608 6.255 -15.317 1.00 0.00 H new ATOM 244 N CYS A 17 5.681 3.464 -12.045 1.00 0.00 N ATOM 245 CA CYS A 17 4.384 3.208 -11.425 1.00 0.00 C ATOM 246 C CYS A 17 4.512 3.223 -9.901 1.00 0.00 C ATOM 247 O CYS A 17 3.831 3.981 -9.206 1.00 0.00 O ATOM 248 CB CYS A 17 3.816 1.862 -11.905 1.00 0.00 C ATOM 249 SG CYS A 17 3.858 1.562 -13.693 1.00 0.00 S ATOM 0 H CYS A 17 5.970 2.741 -12.704 1.00 0.00 H new ATOM 0 HA CYS A 17 3.694 3.998 -11.722 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.368 1.062 -11.411 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.781 1.789 -11.570 1.00 0.00 H new ATOM 254 N THR A 18 5.424 2.382 -9.412 1.00 0.00 N ATOM 255 CA THR A 18 5.753 2.243 -8.006 1.00 0.00 C ATOM 256 C THR A 18 5.988 3.620 -7.375 1.00 0.00 C ATOM 257 O THR A 18 5.296 3.983 -6.429 1.00 0.00 O ATOM 258 CB THR A 18 6.930 1.260 -7.851 1.00 0.00 C ATOM 259 OG1 THR A 18 7.251 1.073 -6.499 1.00 0.00 O ATOM 260 CG2 THR A 18 8.210 1.705 -8.549 1.00 0.00 C ATOM 0 H THR A 18 5.969 1.761 -10.010 1.00 0.00 H new ATOM 0 HA THR A 18 4.918 1.812 -7.453 1.00 0.00 H new ATOM 0 HB THR A 18 6.578 0.341 -8.319 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.999 0.444 -6.424 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.989 0.959 -8.391 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.023 1.814 -9.617 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.535 2.661 -8.138 1.00 0.00 H new ATOM 268 N SER A 19 6.914 4.414 -7.928 1.00 0.00 N ATOM 269 CA SER A 19 7.276 5.714 -7.377 1.00 0.00 C ATOM 270 C SER A 19 6.084 6.670 -7.420 1.00 0.00 C ATOM 271 O SER A 19 5.806 7.345 -6.435 1.00 0.00 O ATOM 272 CB SER A 19 8.473 6.280 -8.150 1.00 0.00 C ATOM 273 OG SER A 19 8.909 7.505 -7.595 1.00 0.00 O ATOM 0 H SER A 19 7.431 4.167 -8.772 1.00 0.00 H new ATOM 0 HA SER A 19 7.560 5.596 -6.331 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.291 5.560 -8.136 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.197 6.429 -9.194 1.00 0.00 H new ATOM 0 HG SER A 19 9.674 7.842 -8.107 1.00 0.00 H new ATOM 279 N THR A 20 5.360 6.728 -8.540 1.00 0.00 N ATOM 280 CA THR A 20 4.168 7.556 -8.665 1.00 0.00 C ATOM 281 C THR A 20 3.182 7.247 -7.535 1.00 0.00 C ATOM 282 O THR A 20 2.695 8.159 -6.863 1.00 0.00 O ATOM 283 CB THR A 20 3.551 7.356 -10.058 1.00 0.00 C ATOM 284 OG1 THR A 20 4.437 7.879 -11.027 1.00 0.00 O ATOM 285 CG2 THR A 20 2.208 8.076 -10.216 1.00 0.00 C ATOM 0 H THR A 20 5.587 6.201 -9.383 1.00 0.00 H new ATOM 0 HA THR A 20 4.434 8.609 -8.568 1.00 0.00 H new ATOM 0 HB THR A 20 3.384 6.287 -10.188 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.157 7.235 -11.193 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.817 7.901 -11.218 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.501 7.694 -9.479 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.349 9.146 -10.063 1.00 0.00 H new ATOM 293 N ILE A 21 2.886 5.966 -7.308 1.00 0.00 N ATOM 294 CA ILE A 21 2.012 5.553 -6.233 1.00 0.00 C ATOM 295 C ILE A 21 2.620 5.936 -4.885 1.00 0.00 C ATOM 296 O ILE A 21 1.925 6.519 -4.057 1.00 0.00 O ATOM 297 CB ILE A 21 1.748 4.051 -6.407 1.00 0.00 C ATOM 298 CG1 ILE A 21 0.518 3.864 -7.295 1.00 0.00 C ATOM 299 CG2 ILE A 21 1.512 3.343 -5.084 1.00 0.00 C ATOM 300 CD1 ILE A 21 0.617 2.562 -8.074 1.00 0.00 C ATOM 0 H ILE A 21 3.249 5.195 -7.868 1.00 0.00 H new ATOM 0 HA ILE A 21 1.050 6.065 -6.263 1.00 0.00 H new ATOM 0 HB ILE A 21 2.636 3.611 -6.861 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.383 3.860 -6.682 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.430 4.702 -7.986 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.330 2.284 -5.266 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.390 3.457 -4.449 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.646 3.780 -4.587 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.267 2.445 -8.701 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.508 2.581 -8.702 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.681 1.726 -7.378 1.00 0.00 H new ATOM 312 N GLU A 22 3.900 5.632 -4.663 1.00 0.00 N ATOM 313 CA GLU A 22 4.602 5.971 -3.436 1.00 0.00 C ATOM 314 C GLU A 22 4.432 7.464 -3.124 1.00 0.00 C ATOM 315 O GLU A 22 4.046 7.831 -2.017 1.00 0.00 O ATOM 316 CB GLU A 22 6.072 5.495 -3.506 1.00 0.00 C ATOM 317 CG GLU A 22 6.296 4.292 -2.568 1.00 0.00 C ATOM 318 CD GLU A 22 7.694 3.675 -2.646 1.00 0.00 C ATOM 319 OE1 GLU A 22 8.548 4.274 -3.333 1.00 0.00 O ATOM 320 OE2 GLU A 22 7.892 2.619 -1.996 1.00 0.00 O ATOM 0 H GLU A 22 4.480 5.138 -5.341 1.00 0.00 H new ATOM 0 HA GLU A 22 4.163 5.439 -2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.322 5.217 -4.530 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.738 6.311 -3.226 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.110 4.609 -1.542 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.560 3.523 -2.803 1.00 0.00 H new ATOM 327 N GLY A 23 4.643 8.323 -4.121 1.00 0.00 N ATOM 328 CA GLY A 23 4.419 9.753 -4.034 1.00 0.00 C ATOM 329 C GLY A 23 2.970 10.078 -3.676 1.00 0.00 C ATOM 330 O GLY A 23 2.717 10.787 -2.702 1.00 0.00 O ATOM 0 H GLY A 23 4.985 8.027 -5.035 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.084 10.180 -3.283 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.672 10.219 -4.986 1.00 0.00 H new ATOM 334 N LYS A 24 2.010 9.590 -4.471 1.00 0.00 N ATOM 335 CA LYS A 24 0.605 9.924 -4.282 1.00 0.00 C ATOM 336 C LYS A 24 0.150 9.517 -2.878 1.00 0.00 C ATOM 337 O LYS A 24 -0.338 10.329 -2.095 1.00 0.00 O ATOM 338 CB LYS A 24 -0.245 9.243 -5.370 1.00 0.00 C ATOM 339 CG LYS A 24 -1.591 9.954 -5.600 1.00 0.00 C ATOM 340 CD LYS A 24 -1.530 10.843 -6.854 1.00 0.00 C ATOM 341 CE LYS A 24 -2.934 11.309 -7.273 1.00 0.00 C ATOM 342 NZ LYS A 24 -2.910 12.078 -8.536 1.00 0.00 N ATOM 0 H LYS A 24 2.188 8.960 -5.253 1.00 0.00 H new ATOM 0 HA LYS A 24 0.472 11.002 -4.375 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.316 9.223 -6.305 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.429 8.207 -5.087 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.384 9.215 -5.711 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.840 10.561 -4.730 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.899 11.710 -6.658 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.068 10.291 -7.672 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.584 10.442 -7.389 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.362 11.925 -6.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.877 12.373 -8.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.311 12.920 -8.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.526 11.483 -9.297 1.00 0.00 H new ATOM 356 N ILE A 25 0.314 8.233 -2.578 1.00 0.00 N ATOM 357 CA ILE A 25 -0.165 7.615 -1.356 1.00 0.00 C ATOM 358 C ILE A 25 0.649 8.103 -0.158 1.00 0.00 C ATOM 359 O ILE A 25 0.112 8.248 0.938 1.00 0.00 O ATOM 360 CB ILE A 25 -0.209 6.088 -1.503 1.00 0.00 C ATOM 361 CG1 ILE A 25 -0.991 5.620 -2.737 1.00 0.00 C ATOM 362 CG2 ILE A 25 -0.736 5.407 -0.235 1.00 0.00 C ATOM 363 CD1 ILE A 25 -2.482 5.881 -2.620 1.00 0.00 C ATOM 0 H ILE A 25 0.796 7.581 -3.196 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.193 7.923 -1.166 1.00 0.00 H new ATOM 0 HB ILE A 25 0.826 5.780 -1.652 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.606 6.129 -3.621 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.824 4.553 -2.885 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.751 4.327 -0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.086 5.650 0.606 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.746 5.759 -0.026 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.985 5.530 -3.521 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.877 5.350 -1.754 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.656 6.950 -2.501 1.00 0.00 H new ATOM 375 N GLY A 26 1.926 8.434 -0.372 1.00 0.00 N ATOM 376 CA GLY A 26 2.756 9.112 0.608 1.00 0.00 C ATOM 377 C GLY A 26 2.065 10.327 1.227 1.00 0.00 C ATOM 378 O GLY A 26 2.313 10.642 2.388 1.00 0.00 O ATOM 0 H GLY A 26 2.412 8.232 -1.246 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.025 8.411 1.398 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.685 9.430 0.134 1.00 0.00 H new ATOM 382 N LYS A 27 1.205 11.018 0.471 1.00 0.00 N ATOM 383 CA LYS A 27 0.526 12.206 0.935 1.00 0.00 C ATOM 384 C LYS A 27 -0.759 11.888 1.722 1.00 0.00 C ATOM 385 O LYS A 27 -1.407 12.819 2.197 1.00 0.00 O ATOM 386 CB LYS A 27 0.303 13.111 -0.290 1.00 0.00 C ATOM 387 CG LYS A 27 -0.284 14.458 0.120 1.00 0.00 C ATOM 388 CD LYS A 27 0.006 15.573 -0.893 1.00 0.00 C ATOM 389 CE LYS A 27 -0.586 16.893 -0.371 1.00 0.00 C ATOM 390 NZ LYS A 27 -0.243 18.045 -1.229 1.00 0.00 N ATOM 0 H LYS A 27 0.967 10.756 -0.486 1.00 0.00 H new ATOM 0 HA LYS A 27 1.139 12.736 1.664 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.249 13.266 -0.808 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.368 12.617 -0.993 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.362 14.356 0.241 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.120 14.743 1.091 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.081 15.676 -1.042 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.427 15.323 -1.861 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.670 16.801 -0.308 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.222 17.076 0.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.665 18.910 -0.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.791 18.152 -1.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.613 17.886 -2.188 1.00 0.00 H new ATOM 404 N LEU A 28 -1.166 10.621 1.886 1.00 0.00 N ATOM 405 CA LEU A 28 -2.374 10.327 2.636 1.00 0.00 C ATOM 406 C LEU A 28 -2.156 10.602 4.124 1.00 0.00 C ATOM 407 O LEU A 28 -1.056 10.435 4.649 1.00 0.00 O ATOM 408 CB LEU A 28 -2.799 8.870 2.448 1.00 0.00 C ATOM 409 CG LEU A 28 -3.206 8.433 1.029 1.00 0.00 C ATOM 410 CD1 LEU A 28 -4.421 7.508 1.114 1.00 0.00 C ATOM 411 CD2 LEU A 28 -3.525 9.553 0.030 1.00 0.00 C ATOM 0 H LEU A 28 -0.681 9.805 1.514 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.165 10.974 2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.977 8.233 2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.638 8.674 3.115 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.317 7.940 0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.712 7.197 0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.169 6.629 1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.249 8.038 1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.797 9.117 -0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.356 10.150 0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.649 10.189 -0.096 1.00 0.00 H new ATOM 423 N GLN A 29 -3.231 10.982 4.815 1.00 0.00 N ATOM 424 CA GLN A 29 -3.238 11.134 6.258 1.00 0.00 C ATOM 425 C GLN A 29 -3.572 9.778 6.877 1.00 0.00 C ATOM 426 O GLN A 29 -4.566 9.167 6.500 1.00 0.00 O ATOM 427 CB GLN A 29 -4.252 12.221 6.634 1.00 0.00 C ATOM 428 CG GLN A 29 -4.367 12.408 8.154 1.00 0.00 C ATOM 429 CD GLN A 29 -4.881 13.804 8.501 1.00 0.00 C ATOM 430 OE1 GLN A 29 -4.245 14.800 8.174 1.00 0.00 O ATOM 431 NE2 GLN A 29 -6.025 13.906 9.171 1.00 0.00 N ATOM 0 H GLN A 29 -4.128 11.194 4.378 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.267 11.449 6.640 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.957 13.165 6.175 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.229 11.960 6.227 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.041 11.657 8.566 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.393 12.251 8.617 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.539 13.065 9.434 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -6.389 14.825 9.422 1.00 0.00 H new ATOM 440 N GLY A 30 -2.747 9.311 7.818 1.00 0.00 N ATOM 441 CA GLY A 30 -2.964 8.053 8.526 1.00 0.00 C ATOM 442 C GLY A 30 -1.919 6.991 8.204 1.00 0.00 C ATOM 443 O GLY A 30 -2.127 5.820 8.524 1.00 0.00 O ATOM 0 H GLY A 30 -1.902 9.803 8.110 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.960 8.243 9.599 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.952 7.668 8.274 1.00 0.00 H new ATOM 447 N VAL A 31 -0.802 7.397 7.593 1.00 0.00 N ATOM 448 CA VAL A 31 0.260 6.514 7.143 1.00 0.00 C ATOM 449 C VAL A 31 1.578 6.933 7.790 1.00 0.00 C ATOM 450 O VAL A 31 1.861 8.127 7.865 1.00 0.00 O ATOM 451 CB VAL A 31 0.322 6.581 5.603 1.00 0.00 C ATOM 452 CG1 VAL A 31 1.580 5.916 5.034 1.00 0.00 C ATOM 453 CG2 VAL A 31 -0.906 5.897 4.990 1.00 0.00 C ATOM 0 H VAL A 31 -0.613 8.380 7.395 1.00 0.00 H new ATOM 0 HA VAL A 31 0.068 5.482 7.438 1.00 0.00 H new ATOM 0 HB VAL A 31 0.345 7.639 5.343 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.572 5.992 3.947 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.465 6.417 5.426 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.599 4.865 5.324 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.848 5.952 3.903 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.933 4.852 5.299 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.811 6.400 5.331 1.00 0.00 H new ATOM 463 N GLN A 32 2.381 5.958 8.242 1.00 0.00 N ATOM 464 CA GLN A 32 3.710 6.209 8.785 1.00 0.00 C ATOM 465 C GLN A 32 4.809 5.855 7.786 1.00 0.00 C ATOM 466 O GLN A 32 5.893 6.448 7.823 1.00 0.00 O ATOM 467 CB GLN A 32 3.905 5.470 10.109 1.00 0.00 C ATOM 468 CG GLN A 32 3.941 3.944 10.018 1.00 0.00 C ATOM 469 CD GLN A 32 5.178 3.348 10.696 1.00 0.00 C ATOM 470 OE1 GLN A 32 6.166 3.045 10.037 1.00 0.00 O ATOM 471 NE2 GLN A 32 5.182 3.186 12.011 1.00 0.00 N ATOM 0 H GLN A 32 2.119 4.972 8.238 1.00 0.00 H new ATOM 0 HA GLN A 32 3.788 7.279 8.979 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.837 5.811 10.560 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.100 5.756 10.786 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.043 3.534 10.481 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.925 3.645 8.970 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.359 3.439 12.558 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.008 2.809 12.476 1.00 0.00 H new ATOM 480 N ARG A 33 4.565 4.851 6.936 1.00 0.00 N ATOM 481 CA ARG A 33 5.530 4.331 5.987 1.00 0.00 C ATOM 482 C ARG A 33 4.759 3.674 4.855 1.00 0.00 C ATOM 483 O ARG A 33 3.585 3.326 4.984 1.00 0.00 O ATOM 484 CB ARG A 33 6.455 3.290 6.646 1.00 0.00 C ATOM 485 CG ARG A 33 7.934 3.400 6.239 1.00 0.00 C ATOM 486 CD ARG A 33 8.781 3.905 7.412 1.00 0.00 C ATOM 487 NE ARG A 33 8.266 5.190 7.899 1.00 0.00 N ATOM 488 CZ ARG A 33 8.801 5.964 8.849 1.00 0.00 C ATOM 489 NH1 ARG A 33 9.940 5.607 9.451 1.00 0.00 N ATOM 490 NH2 ARG A 33 8.164 7.092 9.171 1.00 0.00 N ATOM 0 H ARG A 33 3.665 4.372 6.896 1.00 0.00 H new ATOM 0 HA ARG A 33 6.153 5.147 5.620 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.381 3.391 7.729 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.095 2.292 6.394 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.300 2.427 5.912 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.034 4.079 5.392 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.770 3.172 8.219 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.819 4.017 7.098 1.00 0.00 H new ATOM 0 HE ARG A 33 7.407 5.529 7.466 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.407 4.739 9.186 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.343 6.202 10.175 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.296 7.341 8.696 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.545 7.705 9.892 1.00 0.00 H new ATOM 504 N ILE A 34 5.454 3.479 3.748 1.00 0.00 N ATOM 505 CA ILE A 34 4.945 2.904 2.542 1.00 0.00 C ATOM 506 C ILE A 34 6.187 2.350 1.854 1.00 0.00 C ATOM 507 O ILE A 34 7.252 2.964 1.942 1.00 0.00 O ATOM 508 CB ILE A 34 4.183 3.982 1.758 1.00 0.00 C ATOM 509 CG1 ILE A 34 3.685 3.354 0.457 1.00 0.00 C ATOM 510 CG2 ILE A 34 4.990 5.272 1.514 1.00 0.00 C ATOM 511 CD1 ILE A 34 2.801 4.313 -0.336 1.00 0.00 C ATOM 0 H ILE A 34 6.439 3.735 3.676 1.00 0.00 H new ATOM 0 HA ILE A 34 4.216 2.104 2.670 1.00 0.00 H new ATOM 0 HB ILE A 34 3.341 4.317 2.364 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.538 3.058 -0.153 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.125 2.447 0.683 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.381 5.982 0.954 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.272 5.711 2.471 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.889 5.037 0.944 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.469 3.827 -1.253 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.933 4.588 0.264 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.369 5.209 -0.585 1.00 0.00 H new ATOM 523 N LYS A 35 6.075 1.156 1.281 1.00 0.00 N ATOM 524 CA LYS A 35 7.137 0.495 0.551 1.00 0.00 C ATOM 525 C LYS A 35 6.569 -0.213 -0.677 1.00 0.00 C ATOM 526 O LYS A 35 5.529 -0.849 -0.574 1.00 0.00 O ATOM 527 CB LYS A 35 7.949 -0.430 1.477 1.00 0.00 C ATOM 528 CG LYS A 35 9.152 0.235 2.151 1.00 0.00 C ATOM 529 CD LYS A 35 10.223 0.610 1.123 1.00 0.00 C ATOM 530 CE LYS A 35 11.491 1.102 1.827 1.00 0.00 C ATOM 531 NZ LYS A 35 12.475 1.615 0.854 1.00 0.00 N ATOM 0 H LYS A 35 5.214 0.610 1.316 1.00 0.00 H new ATOM 0 HA LYS A 35 7.844 1.238 0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.287 -0.820 2.250 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.300 -1.284 0.898 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.826 1.128 2.684 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.577 -0.441 2.893 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.457 -0.254 0.501 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.843 1.387 0.460 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.234 1.888 2.538 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.932 0.286 2.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.324 1.942 1.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.736 0.857 0.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.059 2.409 0.326 1.00 0.00 H new ATOM 545 N VAL A 36 7.207 -0.117 -1.844 1.00 0.00 N ATOM 546 CA VAL A 36 6.751 -0.836 -3.030 1.00 0.00 C ATOM 547 C VAL A 36 7.946 -1.449 -3.773 1.00 0.00 C ATOM 548 O VAL A 36 9.007 -0.834 -3.861 1.00 0.00 O ATOM 549 CB VAL A 36 5.885 0.091 -3.903 1.00 0.00 C ATOM 550 CG1 VAL A 36 5.286 -0.681 -5.090 1.00 0.00 C ATOM 551 CG2 VAL A 36 4.714 0.721 -3.133 1.00 0.00 C ATOM 0 H VAL A 36 8.041 0.452 -1.991 1.00 0.00 H new ATOM 0 HA VAL A 36 6.115 -1.673 -2.743 1.00 0.00 H new ATOM 0 HB VAL A 36 6.556 0.881 -4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.678 -0.007 -5.693 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.091 -1.089 -5.702 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.664 -1.495 -4.718 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.142 1.363 -3.803 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.068 -0.067 -2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.101 1.314 -2.304 1.00 0.00 H new ATOM 561 N SER A 37 7.773 -2.679 -4.274 1.00 0.00 N ATOM 562 CA SER A 37 8.799 -3.505 -4.898 1.00 0.00 C ATOM 563 C SER A 37 8.304 -4.000 -6.257 1.00 0.00 C ATOM 564 O SER A 37 7.226 -4.587 -6.326 1.00 0.00 O ATOM 565 CB SER A 37 9.103 -4.696 -3.997 1.00 0.00 C ATOM 566 OG SER A 37 9.531 -4.271 -2.717 1.00 0.00 O ATOM 0 H SER A 37 6.865 -3.143 -4.251 1.00 0.00 H new ATOM 0 HA SER A 37 9.705 -2.916 -5.041 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.213 -5.318 -3.898 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.875 -5.315 -4.455 1.00 0.00 H new ATOM 0 HG SER A 37 9.718 -5.054 -2.158 1.00 0.00 H new ATOM 572 N LEU A 38 9.091 -3.785 -7.316 1.00 0.00 N ATOM 573 CA LEU A 38 8.720 -4.119 -8.689 1.00 0.00 C ATOM 574 C LEU A 38 8.989 -5.594 -9.011 1.00 0.00 C ATOM 575 O LEU A 38 8.119 -6.267 -9.568 1.00 0.00 O ATOM 576 CB LEU A 38 9.383 -3.180 -9.712 1.00 0.00 C ATOM 577 CG LEU A 38 10.856 -2.846 -9.429 1.00 0.00 C ATOM 578 CD1 LEU A 38 11.643 -2.745 -10.739 1.00 0.00 C ATOM 579 CD2 LEU A 38 10.967 -1.521 -8.666 1.00 0.00 C ATOM 0 H LEU A 38 10.018 -3.367 -7.239 1.00 0.00 H new ATOM 0 HA LEU A 38 7.644 -3.965 -8.770 1.00 0.00 H new ATOM 0 HB2 LEU A 38 9.313 -3.636 -10.700 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.816 -2.250 -9.749 1.00 0.00 H new ATOM 0 HG LEU A 38 11.274 -3.647 -8.820 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.684 -2.508 -10.521 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.591 -3.696 -11.269 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.215 -1.959 -11.361 1.00 0.00 H new ATOM 0 HD21 LEU A 38 12.017 -1.299 -8.473 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.530 -0.720 -9.262 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.433 -1.601 -7.719 1.00 0.00 H new ATOM 591 N ASP A 39 10.177 -6.103 -8.659 1.00 0.00 N ATOM 592 CA ASP A 39 10.638 -7.451 -8.978 1.00 0.00 C ATOM 593 C ASP A 39 9.621 -8.479 -8.519 1.00 0.00 C ATOM 594 O ASP A 39 9.098 -9.267 -9.303 1.00 0.00 O ATOM 595 CB ASP A 39 11.962 -7.750 -8.257 1.00 0.00 C ATOM 596 CG ASP A 39 13.002 -6.664 -8.471 1.00 0.00 C ATOM 597 OD1 ASP A 39 12.710 -5.538 -8.006 1.00 0.00 O ATOM 598 OD2 ASP A 39 14.042 -6.970 -9.089 1.00 0.00 O ATOM 0 H ASP A 39 10.862 -5.566 -8.127 1.00 0.00 H new ATOM 0 HA ASP A 39 10.774 -7.507 -10.058 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.773 -7.861 -7.189 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.358 -8.702 -8.612 1.00 0.00 H new ATOM 603 N ASN A 40 9.348 -8.448 -7.212 1.00 0.00 N ATOM 604 CA ASN A 40 8.412 -9.361 -6.586 1.00 0.00 C ATOM 605 C ASN A 40 6.970 -8.840 -6.728 1.00 0.00 C ATOM 606 O ASN A 40 6.052 -9.410 -6.146 1.00 0.00 O ATOM 607 CB ASN A 40 8.816 -9.619 -5.133 1.00 0.00 C ATOM 608 CG ASN A 40 8.457 -11.021 -4.636 1.00 0.00 C ATOM 609 OD1 ASN A 40 9.328 -11.762 -4.191 1.00 0.00 O ATOM 610 ND2 ASN A 40 7.191 -11.418 -4.694 1.00 0.00 N ATOM 0 H ASN A 40 9.775 -7.785 -6.565 1.00 0.00 H new ATOM 0 HA ASN A 40 8.444 -10.323 -7.098 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.891 -9.471 -5.032 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.332 -8.881 -4.494 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.933 -12.349 -4.366 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.477 -10.792 -5.066 1.00 0.00 H new ATOM 617 N GLN A 41 6.793 -7.733 -7.464 1.00 0.00 N ATOM 618 CA GLN A 41 5.559 -7.007 -7.718 1.00 0.00 C ATOM 619 C GLN A 41 4.606 -6.978 -6.516 1.00 0.00 C ATOM 620 O GLN A 41 3.518 -7.556 -6.517 1.00 0.00 O ATOM 621 CB GLN A 41 4.987 -7.436 -9.082 1.00 0.00 C ATOM 622 CG GLN A 41 4.731 -6.213 -9.983 1.00 0.00 C ATOM 623 CD GLN A 41 4.970 -6.505 -11.455 1.00 0.00 C ATOM 624 OE1 GLN A 41 4.033 -6.641 -12.238 1.00 0.00 O ATOM 625 NE2 GLN A 41 6.238 -6.536 -11.851 1.00 0.00 N ATOM 0 H GLN A 41 7.584 -7.292 -7.933 1.00 0.00 H new ATOM 0 HA GLN A 41 5.761 -5.941 -7.820 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.682 -8.116 -9.574 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.057 -7.984 -8.934 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.704 -5.876 -9.846 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.379 -5.395 -9.670 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.988 -6.419 -11.170 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.461 -6.677 -12.836 1.00 0.00 H new ATOM 634 N GLU A 42 5.046 -6.273 -5.468 1.00 0.00 N ATOM 635 CA GLU A 42 4.405 -6.275 -4.164 1.00 0.00 C ATOM 636 C GLU A 42 4.489 -4.883 -3.546 1.00 0.00 C ATOM 637 O GLU A 42 5.506 -4.204 -3.683 1.00 0.00 O ATOM 638 CB GLU A 42 5.080 -7.343 -3.291 1.00 0.00 C ATOM 639 CG GLU A 42 4.268 -7.677 -2.024 1.00 0.00 C ATOM 640 CD GLU A 42 4.174 -9.168 -1.728 1.00 0.00 C ATOM 641 OE1 GLU A 42 4.440 -9.998 -2.624 1.00 0.00 O ATOM 642 OE2 GLU A 42 3.715 -9.530 -0.620 1.00 0.00 O ATOM 0 H GLU A 42 5.873 -5.677 -5.511 1.00 0.00 H new ATOM 0 HA GLU A 42 3.347 -6.522 -4.250 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.219 -8.251 -3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.072 -6.996 -3.001 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.722 -7.175 -1.170 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.261 -7.274 -2.132 1.00 0.00 H new ATOM 649 N ALA A 43 3.416 -4.464 -2.873 1.00 0.00 N ATOM 650 CA ALA A 43 3.297 -3.193 -2.183 1.00 0.00 C ATOM 651 C ALA A 43 3.050 -3.435 -0.692 1.00 0.00 C ATOM 652 O ALA A 43 2.450 -4.435 -0.297 1.00 0.00 O ATOM 653 CB ALA A 43 2.195 -2.352 -2.831 1.00 0.00 C ATOM 0 H ALA A 43 2.572 -5.032 -2.795 1.00 0.00 H new ATOM 0 HA ALA A 43 4.226 -2.630 -2.270 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.110 -1.399 -2.309 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.442 -2.172 -3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.246 -2.885 -2.769 1.00 0.00 H new ATOM 659 N THR A 44 3.551 -2.504 0.114 1.00 0.00 N ATOM 660 CA THR A 44 3.601 -2.455 1.559 1.00 0.00 C ATOM 661 C THR A 44 3.012 -1.104 1.939 1.00 0.00 C ATOM 662 O THR A 44 3.562 -0.076 1.547 1.00 0.00 O ATOM 663 CB THR A 44 5.080 -2.487 1.986 1.00 0.00 C ATOM 664 OG1 THR A 44 5.731 -3.634 1.472 1.00 0.00 O ATOM 665 CG2 THR A 44 5.202 -2.512 3.507 1.00 0.00 C ATOM 0 H THR A 44 3.981 -1.670 -0.285 1.00 0.00 H new ATOM 0 HA THR A 44 3.066 -3.281 2.027 1.00 0.00 H new ATOM 0 HB THR A 44 5.550 -1.587 1.588 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.669 -3.632 1.755 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.255 -2.534 3.787 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.734 -1.620 3.924 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.704 -3.399 3.897 1.00 0.00 H new ATOM 673 N ILE A 45 1.916 -1.081 2.690 1.00 0.00 N ATOM 674 CA ILE A 45 1.335 0.165 3.169 1.00 0.00 C ATOM 675 C ILE A 45 1.299 0.075 4.689 1.00 0.00 C ATOM 676 O ILE A 45 0.705 -0.869 5.214 1.00 0.00 O ATOM 677 CB ILE A 45 -0.049 0.353 2.535 1.00 0.00 C ATOM 678 CG1 ILE A 45 0.036 0.669 1.032 1.00 0.00 C ATOM 679 CG2 ILE A 45 -0.868 1.404 3.281 1.00 0.00 C ATOM 680 CD1 ILE A 45 0.286 2.151 0.763 1.00 0.00 C ATOM 0 H ILE A 45 1.410 -1.918 2.981 1.00 0.00 H new ATOM 0 HA ILE A 45 1.918 1.042 2.886 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.570 -0.600 2.628 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.837 0.081 0.584 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.892 0.366 0.546 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.843 1.511 2.805 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.003 1.092 4.317 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.344 2.359 3.255 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.338 2.322 -0.312 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.528 2.740 1.185 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.227 2.451 1.224 1.00 0.00 H new ATOM 692 N VAL A 46 1.974 1.008 5.378 1.00 0.00 N ATOM 693 CA VAL A 46 2.113 0.956 6.830 1.00 0.00 C ATOM 694 C VAL A 46 1.284 2.076 7.455 1.00 0.00 C ATOM 695 O VAL A 46 1.726 3.230 7.515 1.00 0.00 O ATOM 696 CB VAL A 46 3.595 0.985 7.235 1.00 0.00 C ATOM 697 CG1 VAL A 46 3.756 0.498 8.676 1.00 0.00 C ATOM 698 CG2 VAL A 46 4.414 0.051 6.341 1.00 0.00 C ATOM 0 H VAL A 46 2.432 1.809 4.944 1.00 0.00 H new ATOM 0 HA VAL A 46 1.723 0.014 7.215 1.00 0.00 H new ATOM 0 HB VAL A 46 3.946 2.012 7.133 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.810 0.523 8.953 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.190 1.147 9.345 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.383 -0.523 8.759 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.461 0.084 6.642 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.040 -0.968 6.440 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.325 0.371 5.303 1.00 0.00 H new ATOM 708 N TYR A 47 0.060 1.730 7.875 1.00 0.00 N ATOM 709 CA TYR A 47 -0.973 2.692 8.229 1.00 0.00 C ATOM 710 C TYR A 47 -1.478 2.480 9.653 1.00 0.00 C ATOM 711 O TYR A 47 -1.294 1.411 10.234 1.00 0.00 O ATOM 712 CB TYR A 47 -2.111 2.658 7.196 1.00 0.00 C ATOM 713 CG TYR A 47 -3.111 1.538 7.412 1.00 0.00 C ATOM 714 CD1 TYR A 47 -4.203 1.741 8.277 1.00 0.00 C ATOM 715 CD2 TYR A 47 -2.859 0.251 6.901 1.00 0.00 C ATOM 716 CE1 TYR A 47 -4.998 0.658 8.679 1.00 0.00 C ATOM 717 CE2 TYR A 47 -3.699 -0.821 7.253 1.00 0.00 C ATOM 718 CZ TYR A 47 -4.743 -0.623 8.173 1.00 0.00 C ATOM 719 OH TYR A 47 -5.478 -1.682 8.614 1.00 0.00 O ATOM 0 H TYR A 47 -0.237 0.760 7.977 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.534 3.690 8.207 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.639 3.611 7.221 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.680 2.559 6.200 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.429 2.735 8.633 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.021 0.087 6.239 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.806 0.812 9.378 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.542 -1.796 6.816 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.375 -1.376 8.864 1.00 0.00 H new ATOM 729 N GLN A 48 -2.110 3.514 10.210 1.00 0.00 N ATOM 730 CA GLN A 48 -2.539 3.527 11.600 1.00 0.00 C ATOM 731 C GLN A 48 -4.038 3.202 11.704 1.00 0.00 C ATOM 732 O GLN A 48 -4.851 3.991 11.212 1.00 0.00 O ATOM 733 CB GLN A 48 -2.196 4.888 12.221 1.00 0.00 C ATOM 734 CG GLN A 48 -2.245 4.758 13.755 1.00 0.00 C ATOM 735 CD GLN A 48 -1.974 6.063 14.491 1.00 0.00 C ATOM 736 OE1 GLN A 48 -0.957 6.221 15.155 1.00 0.00 O ATOM 737 NE2 GLN A 48 -2.915 6.998 14.430 1.00 0.00 N ATOM 0 H GLN A 48 -2.338 4.369 9.702 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.010 2.755 12.160 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.205 5.210 11.901 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.903 5.646 11.883 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.226 4.384 14.047 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.513 4.015 14.071 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.753 6.842 13.870 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.800 7.872 14.943 1.00 0.00 H new ATOM 746 N PRO A 49 -4.427 2.080 12.347 1.00 0.00 N ATOM 747 CA PRO A 49 -5.814 1.629 12.421 1.00 0.00 C ATOM 748 C PRO A 49 -6.648 2.516 13.350 1.00 0.00 C ATOM 749 O PRO A 49 -6.985 2.133 14.466 1.00 0.00 O ATOM 750 CB PRO A 49 -5.745 0.171 12.893 1.00 0.00 C ATOM 751 CG PRO A 49 -4.486 0.158 13.754 1.00 0.00 C ATOM 752 CD PRO A 49 -3.560 1.089 12.973 1.00 0.00 C ATOM 0 HA PRO A 49 -6.317 1.699 11.456 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.629 -0.112 13.464 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.670 -0.523 12.056 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.677 0.524 14.763 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.069 -0.844 13.853 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.836 1.565 13.634 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.992 0.537 12.224 1.00 0.00 H new ATOM 760 N HIS A 50 -6.988 3.703 12.850 1.00 0.00 N ATOM 761 CA HIS A 50 -7.882 4.685 13.449 1.00 0.00 C ATOM 762 C HIS A 50 -8.044 5.844 12.469 1.00 0.00 C ATOM 763 O HIS A 50 -9.154 6.322 12.253 1.00 0.00 O ATOM 764 CB HIS A 50 -7.355 5.212 14.799 1.00 0.00 C ATOM 765 CG HIS A 50 -7.850 4.477 16.024 1.00 0.00 C ATOM 766 ND1 HIS A 50 -7.113 4.213 17.157 1.00 0.00 N ATOM 767 CD2 HIS A 50 -9.140 4.084 16.276 1.00 0.00 C ATOM 768 CE1 HIS A 50 -7.941 3.663 18.061 1.00 0.00 C ATOM 769 NE2 HIS A 50 -9.189 3.569 17.575 1.00 0.00 N ATOM 0 H HIS A 50 -6.619 4.023 11.954 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.839 4.204 13.649 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -6.266 5.168 14.786 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -7.630 6.263 14.891 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -9.972 4.159 15.591 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -7.642 3.340 19.047 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -10.008 3.197 18.056 1.00 0.00 H new ATOM 777 N LEU A 51 -6.933 6.303 11.885 1.00 0.00 N ATOM 778 CA LEU A 51 -6.961 7.430 10.963 1.00 0.00 C ATOM 779 C LEU A 51 -7.512 6.994 9.609 1.00 0.00 C ATOM 780 O LEU A 51 -8.364 7.672 9.042 1.00 0.00 O ATOM 781 CB LEU A 51 -5.576 8.056 10.836 1.00 0.00 C ATOM 782 CG LEU A 51 -5.073 8.650 12.166 1.00 0.00 C ATOM 783 CD1 LEU A 51 -3.587 9.014 12.066 1.00 0.00 C ATOM 784 CD2 LEU A 51 -5.850 9.908 12.570 1.00 0.00 C ATOM 0 H LEU A 51 -6.005 5.908 12.038 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.628 8.195 11.361 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.870 7.301 10.489 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.603 8.840 10.079 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.228 7.883 12.924 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.250 9.432 13.015 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.008 8.119 11.837 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.445 9.750 11.275 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.459 10.290 13.513 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.739 10.668 11.797 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.905 9.662 12.688 1.00 0.00 H new ATOM 796 N ILE A 52 -7.011 5.869 9.094 1.00 0.00 N ATOM 797 CA ILE A 52 -7.357 5.324 7.802 1.00 0.00 C ATOM 798 C ILE A 52 -7.423 3.791 7.929 1.00 0.00 C ATOM 799 O ILE A 52 -7.083 3.255 8.986 1.00 0.00 O ATOM 800 CB ILE A 52 -6.313 5.862 6.800 1.00 0.00 C ATOM 801 CG1 ILE A 52 -6.997 6.264 5.503 1.00 0.00 C ATOM 802 CG2 ILE A 52 -5.188 4.868 6.502 1.00 0.00 C ATOM 803 CD1 ILE A 52 -7.626 7.659 5.572 1.00 0.00 C ATOM 0 H ILE A 52 -6.328 5.299 9.593 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.337 5.627 7.434 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.851 6.729 7.271 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.270 6.238 4.691 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.770 5.533 5.263 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.490 5.311 5.791 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.661 4.627 7.425 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.610 3.957 6.077 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.100 7.892 4.618 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.374 7.682 6.364 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.852 8.397 5.783 1.00 0.00 H new ATOM 815 N SER A 53 -7.874 3.081 6.887 1.00 0.00 N ATOM 816 CA SER A 53 -8.085 1.636 6.897 1.00 0.00 C ATOM 817 C SER A 53 -7.599 1.020 5.583 1.00 0.00 C ATOM 818 O SER A 53 -7.534 1.723 4.573 1.00 0.00 O ATOM 819 CB SER A 53 -9.580 1.365 7.091 1.00 0.00 C ATOM 820 OG SER A 53 -10.317 2.026 6.079 1.00 0.00 O ATOM 0 H SER A 53 -8.107 3.511 5.992 1.00 0.00 H new ATOM 0 HA SER A 53 -7.519 1.184 7.711 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.773 0.293 7.055 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.899 1.713 8.074 1.00 0.00 H new ATOM 0 HG SER A 53 -11.273 1.851 6.203 1.00 0.00 H new ATOM 826 N VAL A 54 -7.308 -0.295 5.585 1.00 0.00 N ATOM 827 CA VAL A 54 -6.940 -1.054 4.387 1.00 0.00 C ATOM 828 C VAL A 54 -7.803 -0.648 3.195 1.00 0.00 C ATOM 829 O VAL A 54 -7.280 -0.451 2.105 1.00 0.00 O ATOM 830 CB VAL A 54 -7.060 -2.579 4.602 1.00 0.00 C ATOM 831 CG1 VAL A 54 -7.048 -3.324 3.259 1.00 0.00 C ATOM 832 CG2 VAL A 54 -5.911 -3.163 5.429 1.00 0.00 C ATOM 0 H VAL A 54 -7.324 -0.862 6.433 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.896 -0.817 4.182 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.001 -2.715 5.135 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.134 -4.396 3.437 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.887 -2.989 2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.114 -3.116 2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.055 -4.237 5.544 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.965 -2.976 4.921 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.894 -2.692 6.412 1.00 0.00 H new ATOM 842 N GLU A 55 -9.121 -0.574 3.384 1.00 0.00 N ATOM 843 CA GLU A 55 -10.023 -0.296 2.282 1.00 0.00 C ATOM 844 C GLU A 55 -9.717 1.066 1.660 1.00 0.00 C ATOM 845 O GLU A 55 -9.712 1.173 0.448 1.00 0.00 O ATOM 846 CB GLU A 55 -11.473 -0.417 2.742 1.00 0.00 C ATOM 847 CG GLU A 55 -12.496 -0.248 1.613 1.00 0.00 C ATOM 848 CD GLU A 55 -13.220 -1.546 1.284 1.00 0.00 C ATOM 849 OE1 GLU A 55 -12.557 -2.421 0.687 1.00 0.00 O ATOM 850 OE2 GLU A 55 -14.413 -1.634 1.641 1.00 0.00 O ATOM 0 H GLU A 55 -9.579 -0.703 4.286 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.869 -1.039 1.499 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.617 -1.392 3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.665 0.333 3.509 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -13.226 0.509 1.899 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.990 0.118 0.720 1.00 0.00 H new ATOM 857 N GLU A 56 -9.422 2.097 2.451 1.00 0.00 N ATOM 858 CA GLU A 56 -9.071 3.403 1.924 1.00 0.00 C ATOM 859 C GLU A 56 -7.837 3.215 1.044 1.00 0.00 C ATOM 860 O GLU A 56 -7.830 3.574 -0.130 1.00 0.00 O ATOM 861 CB GLU A 56 -8.828 4.375 3.093 1.00 0.00 C ATOM 862 CG GLU A 56 -9.473 5.748 2.852 1.00 0.00 C ATOM 863 CD GLU A 56 -8.694 6.614 1.868 1.00 0.00 C ATOM 864 OE1 GLU A 56 -7.447 6.532 1.905 1.00 0.00 O ATOM 865 OE2 GLU A 56 -9.351 7.358 1.110 1.00 0.00 O ATOM 0 H GLU A 56 -9.421 2.045 3.470 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.870 3.835 1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.228 3.944 4.011 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.755 4.501 3.241 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.486 5.605 2.477 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.556 6.275 3.803 1.00 0.00 H new ATOM 872 N MET A 57 -6.822 2.548 1.601 1.00 0.00 N ATOM 873 CA MET A 57 -5.594 2.270 0.907 1.00 0.00 C ATOM 874 C MET A 57 -5.854 1.559 -0.430 1.00 0.00 C ATOM 875 O MET A 57 -5.561 2.105 -1.488 1.00 0.00 O ATOM 876 CB MET A 57 -4.623 1.546 1.822 1.00 0.00 C ATOM 877 CG MET A 57 -4.442 2.255 3.170 1.00 0.00 C ATOM 878 SD MET A 57 -4.247 4.062 3.216 1.00 0.00 S ATOM 879 CE MET A 57 -2.714 4.306 2.301 1.00 0.00 C ATOM 0 H MET A 57 -6.845 2.189 2.556 1.00 0.00 H new ATOM 0 HA MET A 57 -5.111 3.209 0.636 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.981 0.531 1.995 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.656 1.463 1.327 1.00 0.00 H new ATOM 0 HG2 MET A 57 -5.304 2.004 3.789 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.566 1.820 3.652 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.574 5.369 2.103 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.876 3.933 2.889 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.764 3.764 1.357 1.00 0.00 H new ATOM 889 N LYS A 58 -6.425 0.351 -0.406 1.00 0.00 N ATOM 890 CA LYS A 58 -6.746 -0.392 -1.617 1.00 0.00 C ATOM 891 C LYS A 58 -7.630 0.406 -2.548 1.00 0.00 C ATOM 892 O LYS A 58 -7.285 0.549 -3.707 1.00 0.00 O ATOM 893 CB LYS A 58 -7.337 -1.770 -1.303 1.00 0.00 C ATOM 894 CG LYS A 58 -8.334 -2.335 -2.331 1.00 0.00 C ATOM 895 CD LYS A 58 -8.952 -3.654 -1.845 1.00 0.00 C ATOM 896 CE LYS A 58 -9.984 -4.188 -2.853 1.00 0.00 C ATOM 897 NZ LYS A 58 -9.355 -4.931 -3.963 1.00 0.00 N ATOM 0 H LYS A 58 -6.675 -0.135 0.455 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.807 -0.565 -2.143 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.516 -2.479 -1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.837 -1.716 -0.336 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.124 -1.606 -2.513 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.826 -2.498 -3.282 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.166 -4.395 -1.698 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.430 -3.500 -0.878 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.689 -4.840 -2.336 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.558 -3.354 -3.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.859 -4.724 -4.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.360 -4.642 -4.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.402 -5.952 -3.769 1.00 0.00 H new ATOM 911 N LYS A 59 -8.783 0.871 -2.086 1.00 0.00 N ATOM 912 CA LYS A 59 -9.739 1.552 -2.936 1.00 0.00 C ATOM 913 C LYS A 59 -9.021 2.679 -3.658 1.00 0.00 C ATOM 914 O LYS A 59 -9.133 2.791 -4.874 1.00 0.00 O ATOM 915 CB LYS A 59 -10.932 2.020 -2.102 1.00 0.00 C ATOM 916 CG LYS A 59 -12.244 2.203 -2.869 1.00 0.00 C ATOM 917 CD LYS A 59 -12.327 3.550 -3.594 1.00 0.00 C ATOM 918 CE LYS A 59 -13.685 3.642 -4.304 1.00 0.00 C ATOM 919 NZ LYS A 59 -13.879 4.947 -4.966 1.00 0.00 N ATOM 0 H LYS A 59 -9.078 0.785 -1.113 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.146 0.884 -3.695 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.098 1.299 -1.301 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.673 2.968 -1.630 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.350 1.398 -3.596 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.080 2.117 -2.175 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.215 4.369 -2.884 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.516 3.641 -4.316 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.761 2.846 -5.044 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.484 3.481 -3.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.808 4.965 -5.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.833 5.706 -4.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.133 5.091 -5.676 1.00 0.00 H new ATOM 933 N GLN A 60 -8.223 3.461 -2.933 1.00 0.00 N ATOM 934 CA GLN A 60 -7.456 4.525 -3.568 1.00 0.00 C ATOM 935 C GLN A 60 -6.403 3.968 -4.538 1.00 0.00 C ATOM 936 O GLN A 60 -6.220 4.519 -5.622 1.00 0.00 O ATOM 937 CB GLN A 60 -6.814 5.412 -2.503 1.00 0.00 C ATOM 938 CG GLN A 60 -7.784 6.269 -1.657 1.00 0.00 C ATOM 939 CD GLN A 60 -9.278 6.074 -1.938 1.00 0.00 C ATOM 940 OE1 GLN A 60 -9.972 5.294 -1.296 1.00 0.00 O ATOM 941 NE2 GLN A 60 -9.808 6.777 -2.937 1.00 0.00 N ATOM 0 H GLN A 60 -8.093 3.379 -1.925 1.00 0.00 H new ATOM 0 HA GLN A 60 -8.141 5.131 -4.161 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.239 4.777 -1.828 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.105 6.079 -2.994 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.602 6.054 -0.604 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.540 7.320 -1.814 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.227 7.425 -3.469 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.795 6.667 -3.170 1.00 0.00 H new ATOM 950 N ILE A 61 -5.694 2.899 -4.166 1.00 0.00 N ATOM 951 CA ILE A 61 -4.655 2.317 -5.005 1.00 0.00 C ATOM 952 C ILE A 61 -5.285 1.643 -6.221 1.00 0.00 C ATOM 953 O ILE A 61 -5.076 2.106 -7.336 1.00 0.00 O ATOM 954 CB ILE A 61 -3.726 1.409 -4.194 1.00 0.00 C ATOM 955 CG1 ILE A 61 -2.993 2.322 -3.196 1.00 0.00 C ATOM 956 CG2 ILE A 61 -2.734 0.689 -5.130 1.00 0.00 C ATOM 957 CD1 ILE A 61 -2.206 1.530 -2.160 1.00 0.00 C ATOM 0 H ILE A 61 -5.827 2.417 -3.277 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.009 3.107 -5.389 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.280 0.632 -3.667 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.315 2.980 -3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.718 2.959 -2.689 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.079 0.047 -4.541 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.286 0.083 -5.849 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.135 1.428 -5.662 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.706 2.218 -1.478 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.886 0.891 -1.597 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.461 0.913 -2.663 1.00 0.00 H new ATOM 969 N GLU A 62 -6.072 0.583 -6.037 1.00 0.00 N ATOM 970 CA GLU A 62 -6.819 -0.033 -7.111 1.00 0.00 C ATOM 971 C GLU A 62 -7.565 0.983 -7.988 1.00 0.00 C ATOM 972 O GLU A 62 -7.586 0.806 -9.203 1.00 0.00 O ATOM 973 CB GLU A 62 -7.756 -1.080 -6.492 1.00 0.00 C ATOM 974 CG GLU A 62 -7.419 -2.466 -7.022 1.00 0.00 C ATOM 975 CD GLU A 62 -8.047 -3.535 -6.156 1.00 0.00 C ATOM 976 OE1 GLU A 62 -9.264 -3.805 -6.274 1.00 0.00 O ATOM 977 OE2 GLU A 62 -7.329 -4.042 -5.270 1.00 0.00 O ATOM 0 H GLU A 62 -6.204 0.132 -5.131 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.126 -0.518 -7.798 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.663 -1.065 -5.406 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.792 -0.835 -6.726 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.775 -2.566 -8.047 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.337 -2.599 -7.046 1.00 0.00 H new ATOM 984 N ALA A 63 -8.132 2.060 -7.420 1.00 0.00 N ATOM 985 CA ALA A 63 -8.792 3.085 -8.234 1.00 0.00 C ATOM 986 C ALA A 63 -7.886 3.654 -9.330 1.00 0.00 C ATOM 987 O ALA A 63 -8.389 4.047 -10.380 1.00 0.00 O ATOM 988 CB ALA A 63 -9.305 4.231 -7.368 1.00 0.00 C ATOM 0 H ALA A 63 -8.146 2.239 -6.416 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.629 2.582 -8.718 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.790 4.976 -8.000 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.023 3.847 -6.644 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.469 4.691 -6.841 1.00 0.00 H new ATOM 994 N MET A 64 -6.571 3.716 -9.100 1.00 0.00 N ATOM 995 CA MET A 64 -5.619 4.088 -10.133 1.00 0.00 C ATOM 996 C MET A 64 -5.801 3.208 -11.376 1.00 0.00 C ATOM 997 O MET A 64 -5.755 3.706 -12.499 1.00 0.00 O ATOM 998 CB MET A 64 -4.197 3.920 -9.612 1.00 0.00 C ATOM 999 CG MET A 64 -3.807 4.854 -8.467 1.00 0.00 C ATOM 1000 SD MET A 64 -3.627 6.599 -8.905 1.00 0.00 S ATOM 1001 CE MET A 64 -2.458 7.102 -7.623 1.00 0.00 C ATOM 0 H MET A 64 -6.146 3.510 -8.196 1.00 0.00 H new ATOM 0 HA MET A 64 -5.796 5.130 -10.402 1.00 0.00 H new ATOM 0 HB2 MET A 64 -4.069 2.890 -9.279 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.504 4.076 -10.439 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.559 4.771 -7.683 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.865 4.506 -8.043 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.173 8.142 -7.779 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.924 6.996 -6.644 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.570 6.471 -7.672 1.00 0.00 H new ATOM 1011 N GLY A 65 -5.973 1.897 -11.167 1.00 0.00 N ATOM 1012 CA GLY A 65 -6.199 0.922 -12.224 1.00 0.00 C ATOM 1013 C GLY A 65 -5.513 -0.407 -11.909 1.00 0.00 C ATOM 1014 O GLY A 65 -5.900 -1.448 -12.433 1.00 0.00 O ATOM 0 H GLY A 65 -5.957 1.482 -10.235 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.270 0.760 -12.350 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.822 1.313 -13.169 1.00 0.00 H new ATOM 1018 N PHE A 66 -4.472 -0.373 -11.074 1.00 0.00 N ATOM 1019 CA PHE A 66 -3.611 -1.513 -10.812 1.00 0.00 C ATOM 1020 C PHE A 66 -4.326 -2.511 -9.897 1.00 0.00 C ATOM 1021 O PHE A 66 -4.551 -2.171 -8.738 1.00 0.00 O ATOM 1022 CB PHE A 66 -2.349 -0.996 -10.118 1.00 0.00 C ATOM 1023 CG PHE A 66 -1.630 0.093 -10.888 1.00 0.00 C ATOM 1024 CD1 PHE A 66 -0.900 -0.213 -12.051 1.00 0.00 C ATOM 1025 CD2 PHE A 66 -1.776 1.432 -10.486 1.00 0.00 C ATOM 1026 CE1 PHE A 66 -0.348 0.824 -12.824 1.00 0.00 C ATOM 1027 CE2 PHE A 66 -1.217 2.465 -11.251 1.00 0.00 C ATOM 1028 CZ PHE A 66 -0.530 2.162 -12.436 1.00 0.00 C ATOM 0 H PHE A 66 -4.205 0.464 -10.556 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.359 -2.018 -11.745 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.618 -0.615 -9.133 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.664 -1.830 -9.961 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.764 -1.242 -12.349 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.321 1.666 -9.584 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.216 0.592 -13.716 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.315 3.491 -10.929 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.140 2.959 -13.052 1.00 0.00 H new ATOM 1038 N PRO A 67 -4.674 -3.725 -10.351 1.00 0.00 N ATOM 1039 CA PRO A 67 -5.330 -4.693 -9.488 1.00 0.00 C ATOM 1040 C PRO A 67 -4.361 -5.115 -8.383 1.00 0.00 C ATOM 1041 O PRO A 67 -3.172 -5.303 -8.652 1.00 0.00 O ATOM 1042 CB PRO A 67 -5.711 -5.860 -10.400 1.00 0.00 C ATOM 1043 CG PRO A 67 -4.650 -5.805 -11.500 1.00 0.00 C ATOM 1044 CD PRO A 67 -4.361 -4.310 -11.645 1.00 0.00 C ATOM 0 HA PRO A 67 -6.216 -4.297 -8.992 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.690 -6.811 -9.867 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.717 -5.743 -10.804 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.755 -6.361 -11.222 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.016 -6.235 -12.432 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.319 -4.136 -11.912 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.970 -3.867 -12.433 1.00 0.00 H new ATOM 1052 N ALA A 68 -4.859 -5.243 -7.145 1.00 0.00 N ATOM 1053 CA ALA A 68 -4.031 -5.559 -5.995 1.00 0.00 C ATOM 1054 C ALA A 68 -4.680 -6.615 -5.101 1.00 0.00 C ATOM 1055 O ALA A 68 -5.884 -6.595 -4.861 1.00 0.00 O ATOM 1056 CB ALA A 68 -3.744 -4.292 -5.197 1.00 0.00 C ATOM 0 H ALA A 68 -5.848 -5.129 -6.923 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.093 -5.975 -6.363 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.122 -4.537 -4.336 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.221 -3.574 -5.829 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.683 -3.857 -4.854 1.00 0.00 H new ATOM 1062 N PHE A 69 -3.866 -7.537 -4.582 1.00 0.00 N ATOM 1063 CA PHE A 69 -4.296 -8.594 -3.692 1.00 0.00 C ATOM 1064 C PHE A 69 -3.683 -8.308 -2.327 1.00 0.00 C ATOM 1065 O PHE A 69 -2.700 -8.944 -1.947 1.00 0.00 O ATOM 1066 CB PHE A 69 -3.886 -9.948 -4.268 1.00 0.00 C ATOM 1067 CG PHE A 69 -4.781 -10.485 -5.371 1.00 0.00 C ATOM 1068 CD1 PHE A 69 -4.874 -9.811 -6.604 1.00 0.00 C ATOM 1069 CD2 PHE A 69 -5.484 -11.691 -5.183 1.00 0.00 C ATOM 1070 CE1 PHE A 69 -5.707 -10.309 -7.620 1.00 0.00 C ATOM 1071 CE2 PHE A 69 -6.288 -12.208 -6.214 1.00 0.00 C ATOM 1072 CZ PHE A 69 -6.411 -11.510 -7.428 1.00 0.00 C ATOM 0 H PHE A 69 -2.866 -7.561 -4.780 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.380 -8.630 -3.584 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.870 -9.867 -4.655 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.861 -10.676 -3.457 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.304 -8.909 -6.769 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.405 -12.220 -4.245 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.806 -9.768 -8.550 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.811 -13.142 -6.073 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.046 -11.896 -8.212 1.00 0.00 H new ATOM 1082 N VAL A 70 -4.266 -7.334 -1.619 1.00 0.00 N ATOM 1083 CA VAL A 70 -3.998 -7.069 -0.209 1.00 0.00 C ATOM 1084 C VAL A 70 -4.408 -8.303 0.596 1.00 0.00 C ATOM 1085 O VAL A 70 -5.598 -8.594 0.694 1.00 0.00 O ATOM 1086 CB VAL A 70 -4.654 -5.768 0.287 1.00 0.00 C ATOM 1087 CG1 VAL A 70 -6.097 -5.604 -0.164 1.00 0.00 C ATOM 1088 CG2 VAL A 70 -4.542 -5.659 1.814 1.00 0.00 C ATOM 0 H VAL A 70 -4.952 -6.696 -2.023 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.931 -6.895 -0.066 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.102 -4.950 -0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.495 -4.666 0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.139 -5.595 -1.253 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.693 -6.434 0.215 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.011 -4.733 2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.045 -6.508 2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.491 -5.658 2.103 1.00 0.00 H new ATOM 1098 N LYS A 71 -3.451 -9.057 1.146 1.00 0.00 N ATOM 1099 CA LYS A 71 -3.783 -10.236 1.929 1.00 0.00 C ATOM 1100 C LYS A 71 -2.701 -10.595 2.948 1.00 0.00 C ATOM 1101 O LYS A 71 -2.279 -11.746 3.027 1.00 0.00 O ATOM 1102 CB LYS A 71 -4.154 -11.387 0.993 1.00 0.00 C ATOM 1103 CG LYS A 71 -2.991 -11.774 0.094 1.00 0.00 C ATOM 1104 CD LYS A 71 -3.451 -12.792 -0.959 1.00 0.00 C ATOM 1105 CE LYS A 71 -2.297 -13.655 -1.487 1.00 0.00 C ATOM 1106 NZ LYS A 71 -1.923 -14.717 -0.528 1.00 0.00 N ATOM 0 H LYS A 71 -2.452 -8.869 1.061 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.658 -10.013 2.540 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.462 -12.251 1.582 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.008 -11.098 0.380 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.591 -10.887 -0.397 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.185 -12.198 0.692 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.214 -13.438 -0.526 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.916 -12.264 -1.792 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.586 -14.107 -2.436 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.431 -13.023 -1.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.140 -15.279 -0.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.623 -14.285 0.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.742 -15.335 -0.358 1.00 0.00 H new ATOM 1120 N LYS A 72 -2.321 -9.632 3.787 1.00 0.00 N ATOM 1121 CA LYS A 72 -1.407 -9.798 4.908 1.00 0.00 C ATOM 1122 C LYS A 72 -1.722 -8.691 5.913 1.00 0.00 C ATOM 1123 O LYS A 72 -2.371 -7.709 5.551 1.00 0.00 O ATOM 1124 CB LYS A 72 0.049 -9.672 4.445 1.00 0.00 C ATOM 1125 CG LYS A 72 0.581 -10.894 3.677 1.00 0.00 C ATOM 1126 CD LYS A 72 1.927 -11.377 4.229 1.00 0.00 C ATOM 1127 CE LYS A 72 1.681 -12.136 5.541 1.00 0.00 C ATOM 1128 NZ LYS A 72 2.936 -12.459 6.235 1.00 0.00 N ATOM 0 H LYS A 72 -2.659 -8.674 3.697 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.531 -10.786 5.352 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.140 -8.791 3.809 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.681 -9.503 5.317 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.146 -11.704 3.735 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.692 -10.640 2.623 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.421 -12.025 3.505 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.590 -10.529 4.402 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.050 -11.534 6.195 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.136 -13.056 5.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.758 -12.537 7.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.307 -13.363 5.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.632 -11.706 6.062 1.00 0.00 H new ATOM 1142 N ILE A 73 -1.257 -8.858 7.152 1.00 0.00 N ATOM 1143 CA ILE A 73 -1.553 -7.976 8.271 1.00 0.00 C ATOM 1144 C ILE A 73 -0.396 -8.077 9.274 1.00 0.00 C ATOM 1145 O ILE A 73 -0.578 -8.491 10.416 1.00 0.00 O ATOM 1146 CB ILE A 73 -2.951 -8.343 8.833 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -3.472 -7.368 9.904 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -3.045 -9.789 9.357 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -3.911 -6.027 9.306 1.00 0.00 C ATOM 0 H ILE A 73 -0.647 -9.635 7.407 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.618 -6.926 7.985 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.600 -8.255 7.962 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.313 -7.823 10.427 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.691 -7.195 10.645 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.051 -9.975 9.734 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.828 -10.485 8.546 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.323 -9.932 10.161 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.270 -5.374 10.101 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.064 -5.557 8.806 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.711 -6.195 8.585 1.00 0.00 H new ATOM 1161 N GLU A 74 0.820 -7.729 8.837 1.00 0.00 N ATOM 1162 CA GLU A 74 1.970 -7.722 9.736 1.00 0.00 C ATOM 1163 C GLU A 74 1.947 -6.432 10.569 1.00 0.00 C ATOM 1164 O GLU A 74 1.131 -5.537 10.341 1.00 0.00 O ATOM 1165 CB GLU A 74 3.294 -7.887 8.955 1.00 0.00 C ATOM 1166 CG GLU A 74 3.942 -9.272 9.105 1.00 0.00 C ATOM 1167 CD GLU A 74 3.449 -10.267 8.074 1.00 0.00 C ATOM 1168 OE1 GLU A 74 3.826 -10.126 6.886 1.00 0.00 O ATOM 1169 OE2 GLU A 74 2.749 -11.234 8.448 1.00 0.00 O ATOM 0 H GLU A 74 1.028 -7.452 7.877 1.00 0.00 H new ATOM 0 HA GLU A 74 1.907 -8.574 10.413 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.106 -7.698 7.898 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.000 -7.129 9.294 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.024 -9.173 9.019 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.736 -9.658 10.103 1.00 0.00 H new ATOM 1176 N GLY A 75 2.885 -6.317 11.509 1.00 0.00 N ATOM 1177 CA GLY A 75 3.148 -5.101 12.261 1.00 0.00 C ATOM 1178 C GLY A 75 4.657 -4.900 12.332 1.00 0.00 C ATOM 1179 O GLY A 75 5.396 -5.867 12.146 1.00 0.00 O ATOM 0 H GLY A 75 3.496 -7.090 11.772 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.673 -4.246 11.779 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.727 -5.176 13.264 1.00 0.00 H new ATOM 1183 N ARG A 76 5.086 -3.666 12.628 1.00 0.00 N ATOM 1184 CA ARG A 76 6.488 -3.246 12.716 1.00 0.00 C ATOM 1185 C ARG A 76 7.004 -2.844 11.330 1.00 0.00 C ATOM 1186 O ARG A 76 8.235 -2.669 11.205 1.00 0.00 O ATOM 1187 CB ARG A 76 7.357 -4.305 13.431 1.00 0.00 C ATOM 1188 CG ARG A 76 8.532 -3.767 14.267 1.00 0.00 C ATOM 1189 CD ARG A 76 9.884 -3.793 13.541 1.00 0.00 C ATOM 1190 NE ARG A 76 10.996 -3.706 14.502 1.00 0.00 N ATOM 1191 CZ ARG A 76 12.296 -3.679 14.173 1.00 0.00 C ATOM 1192 NH1 ARG A 76 12.655 -3.634 12.886 1.00 0.00 N ATOM 1193 NH2 ARG A 76 13.229 -3.699 15.135 1.00 0.00 N ATOM 1194 OXT ARG A 76 6.150 -2.662 10.435 1.00 0.00 O ATOM 0 H ARG A 76 4.438 -2.903 12.820 1.00 0.00 H new ATOM 0 HA ARG A 76 6.560 -2.358 13.344 1.00 0.00 H new ATOM 0 HB2 ARG A 76 6.712 -4.893 14.084 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.755 -4.986 12.679 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.312 -2.742 14.565 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.612 -4.355 15.181 1.00 0.00 H new ATOM 0 HD2 ARG A 76 9.972 -4.710 12.959 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.940 -2.962 12.837 1.00 0.00 H new ATOM 0 HE ARG A 76 10.760 -3.663 15.493 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.941 -3.620 12.158 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.643 -3.613 12.632 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.950 -3.735 16.115 1.00 0.00 H new ATOM 0 HH22 ARG A 76 14.218 -3.679 14.887 1.00 0.00 H new TER 1208 ARG A 76 HETATM 1209 CU CU1 A 77 5.635 0.378 -14.239 1.00 0.00 CU